| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 31.5 | Very low | 32.6 | Very low | 205 Ų | 205 | 153.7 Ų | 153.7 | 100% | 1.01 | 80% | 0.804 | S | S | * | * | 0 | -54.3 | 0 | -107.1 | 176.4 | 171.2 | 0 | 0 | 113.2 | R3 L4 | M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 3.37Å; M1-L4 PolarHBondContact O-N 3.31Å | |||
| 2 | I | 36.1 | Very low | 32.6 | Very low | 163 Ų | 163 | 147.7 Ų | 147.7 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -68.4 | -24.5 | 178.4 | -64.6 | 170.7 | 0 | 0 | 0 | 113.8 | ||
| 3 | R | 35.7 | Very low | 32.4 | Very low | 250 Ų | 250 | 141.2 Ų | 141.2 | 94% | 0.943 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -76.5 | -13.1 | 173.4 | -82.3 | -175.1 | -179.7 | 176.1 | -0.1 | 115.6 | M1 | M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 3.37Å |
| 4 | L | 39.5 | Very low | 32.2 | Very low | 158 Ų | 158 | 135.4 Ų | 135.4 | 83% | 0.827 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -90.1 | -4.9 | -179.4 | -93.2 | 155.1 | 0 | 0 | 0 | 113.4 | M1 | M1-L4 PolarHBondContact O-N 3.31Š|
| 5 | L | 35.1 | Very low | 32.3 | Very low | 133 Ų | 133 | 129 Ų | 129 | 70% | 0.696 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -105 | 13.3 | -173.6 | -81.2 | 167.3 | 0 | 0 | 0 | 115.3 | L7 | L5-L7 VanDerWaalsContact C-N 3.26Å; L5-L7 PolarHBondContact O-N 2.66Å |
| 6 | G | 29 | Very low | 32.4 | Very low | 75 Ų | 75 | 127 Ų | 127 | 77% | 0.773 | 68% | 0.675 | S | S | * | * | trans | 56.7 | 26.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 7 | L | 32.8 | Very low | 32.4 | Very low | 158 Ų | 158 | 127.7 Ų | 127.7 | 83% | 0.827 | 68% | 0.679 | S | S | * | * | trans | -100.3 | 109.5 | 177.9 | -71.7 | 167.5 | 0 | 0 | 0 | 110.5 | L5 | L5-L7 VanDerWaalsContact C-N 3.26Å; L5-L7 PolarHBondContact O-N 2.66Å | ||
| 8 | S | 29 | Very low | 32.5 | Very low | 111 Ų | 111 | 126.7 Ų | 126.7 | 78% | 0.776 | 69% | 0.691 | S | S | * | * | trans | -67.6 | 141.6 | 171.9 | 39.8 | 0 | 0 | 0 | 0 | 111.3 | P10 | S8-P10 WeakPolarHBondContact O-CD 3.39Š| ||
| 9 | Y | 28.7 | Very low | 32.4 | Very low | 223 Ų | 223 | 124.8 Ų | 124.8 | 88% | 0.875 | 69% | 0.685 | S | S | * | * | trans | -71.1 | 134.5 | 169.1 | -94 | -102.2 | 0 | 0 | 0 | 110.4 | ||||
| 10 | P | 31.6 | Very low | 32.8 | Very low | 115 Ų | 115 | 124.1 Ų | 124.1 | 75% | 0.747 | 69% | 0.689 | S | S | * | * | trans | -115.6 | 139.8 | 149 | 34.3 | -22.3 | 0 | 0 | 0 | 110.6 | S8 | S8-P10 WeakPolarHBondContact O-CD 3.39Š| ||
| 11 | N | 29.2 | Very low | 33.5 | Very low | 100 Ų | 100 | 126.9 Ų | 126.9 | 54% | 0.535 | 69% | 0.694 | S | S | . | * | trans | -65.2 | 129.1 | 177.2 | -76.7 | -43.7 | 0 | 0 | 0 | 112.1 | F379 | N11-F379 HydrophobicContact CB-CD1 3.8Å; N11-F379 HydrophobicContact CB-CE1 3.35Å; N11-F379 HydrophobicContact CB-CZ 3.85Å; N11-F379 VanDerWaalsContact CG-CE2 3.49Å; N11-F379 WeakPolarHBondContact ND2-CE1 3.42Å; N11-F379 WeakPolarHBondContact ND2-CE2 3.49Å; N11-F379 WeakPolarHBondContact ND2-CZ 3.37Å; N11-F379 VanDerWaalsContact OD1-CD1 3.29Å; N11-F379 WeakPolarHBondContact OD1-CD1 3.29Å; N11-F379 VanDerWaalsContact OD1-CD2 3.28Å; N11-F379 WeakPolarHBondContact OD1-CD2 3.3Å; N11-F379 VanDerWaalsContact OD1-CE1 3.28Å; N11-F379 WeakPolarHBondContact OD1-CE1 3.48Å; N11-F379 VanDerWaalsContact OD1-CE2 3.25Å; N11-F379 WeakPolarHBondContact OD1-CE2 3.44Å; N11-F379 WeakPolarHBondContact OD1-CG 3.33Å; N11-F379 VanDerWaalsContact OD1-CZ 3.28Å; N11-F379 WeakPolarHBondContact OD1-CZ 3.48Å | ||
| 12 | D | 33.2 | Very low | 34.5 | Very low | 81 Ų | 81 | 123.6 Ų | 123.6 | 43% | 0.433 | 67% | 0.671 | S | S | . | * | trans | 44.2 | 133.2 | 130.3 | -89.6 | -13.5 | 0 | 0 | 0 | 121.3 | F379 V380 | D12-F379 HydrophobicContact CB-CD1 3.84Å; D12-F379 HydrophobicContact CB-CE1 4.46Å; D12-F379 WeakPolarHBondContact OD2-CA 3.41Å; D12-F379 WeakPolarHBondContact OD2-CB 3.49Å; D12-F379 WeakPolarHBondContact OD2-CD1 3.33Å; D12-V380 HydrophobicContact CB-CB 4.17Å; D12-V380 HydrophobicContact CB-CG2 3.31Å; D12-V380 VanDerWaalsContact CG-CB 3.46Å; D12-V380 WeakPolarHBondContact OD2-CB 3.36Å; D12-V380 WeakPolarHBondContact OD2-CG2 3.17Å; D12-V380 PolarHBondContact OD2-N 3.29Å | ||
| 13 | N | 30.1 | Very low | 36 | Very low | 63 Ų | 63 | 118.3 Ų | 118.3 | 34% | 0.337 | 65% | 0.648 | S | S | . | * | trans | 76.7 | 101.6 | 164.7 | -72.4 | -10.8 | 0 | 0 | 0 | 115.9 | V380 L402 L404 | N13-V380 VanDerWaalsContact CG-CG2 3.5Å; N13-V380 WeakPolarHBondContact ND2-CG2 3.2Å; N13-V380 VanDerWaalsContact OD1-CG1 3.23Å; N13-V380 WeakPolarHBondContact OD1-CG1 3.39Å; N13-V380 WeakPolarHBondContact OD1-CG2 3.48Å; N13-L402 VanDerWaalsContact CG-O 3.29Å; N13-L402 VanDerWaalsContact ND2-CD2 3.26Å; N13-L402 WeakPolarHBondContact ND2-CD2 3.25Å; N13-L402 PolarHBondContact ND2-O 2.83Å; N13-L402 PolarHBondContact OD1-O 3.25Å; N13-L404 HydrophobicContact CB-CD1 4.25Å | ||
| 14 | N | 29.8 | Very low | 37.8 | Very low | 60 Ų | 60 | 108.5 Ų | 108.5 | 32% | 0.321 | 61% | 0.614 | S | S | . | * | 178.4 | 177 | 54.5 | -110.7 | -53.4 | 0 | 0 | 0 | 119.1 | L402 Q403 L404 | N14-L402 PolarHBondContact ND2-O 2.81Å; N14-Q403 WeakPolarHBondContact OD1-CA 3.44Å; N14-L404 HydrophobicContact CB-CB 3.37Å; N14-L404 HydrophobicContact CB-CD1 3.82Å; N14-L404 HydrophobicContact CB-CG 4.1Å; N14-L404 WeakPolarHBondContact CB-O 3.49Å; N14-L404 VanDerWaalsContact ND2-CA 3.31Å; N14-L404 WeakPolarHBondContact ND2-CA 3.44Å; N14-L404 WeakPolarHBondContact ND2-CB 3.22Å; N14-L404 WeakPolarHBondContact ND2-CD1 3.35Å; N14-L404 WeakPolarHBondContact ND2-CG 3.43Å; N14-L404 PolarHBondContact ND2-N 2.98Å; N14-L404 WeakPolarHBondContact OD1-CA 3.5Å; N14-L404 PolarHBondContact OD1-N 3.24Å; N14-L404 PolarHBondContact OD1-O 3.36Å | |||
| 15 | G | 33.3 | Very low | 39.6 | Very low | 40 Ų | 40 | 102.1 Ų | 102.1 | 41% | 0.412 | 58% | 0.584 | S | S | . | * | B | Isolated β-bridge | trans | -66.4 | 144 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | L404 S406 | G15-L404 PolarHBondContact N-O 3.29Å; G15-S406 WeakPolarHBondContact O-CB 3.36Å; G15-S406 PolarHBondContact O-N 3.09Å; G15-S406 VanDerWaalsContact O-N 3.09Å |
| 16 | Q | 33.8 | Very low | 41.8 | Very low | 97 Ų | 97 | 100.2 Ų | 100.2 | 45% | 0.453 | 57% | 0.572 | S | S | . | * | trans | 68.7 | 70.8 | 166 | -73.1 | -176.1 | -21.1 | 0 | 0 | 118.2 | S406 R407 A408 | Q16-S406 WeakPolarHBondContact O-CB 3.25Å; Q16-S406 PolarHBondContact O-OG 3.37Å; Q16-S406 PolarHBondContact OE1-O 2.93Å; Q16-R407 PolarHBondContact OE1-O 3.21Å; Q16-A408 PolarHBondContact NE2-O 3.44Å | ||
| 17 | D | 32 | Very low | 44.3 | Very low | 139 Ų | 139 | 97.7 Ų | 97.7 | 74% | 0.743 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -130.2 | 142.2 | 133.4 | -89.6 | -34.6 | 0 | 0 | 0 | 108.2 | T19 | D17-T19 PolarHBondContact O-N 3.33Š|
| 18 | A | 33.8 | Very low | 46.7 | Very low | 109 Ų | 109 | 90.6 Ų | 90.6 | 90% | 0.901 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -61.3 | 84.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 19 | T | 32.2 | Very low | 49.4 | Very low | 92 Ų | 92 | 88 Ų | 88 | 56% | 0.564 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -143.8 | 89.9 | 160.6 | 50.4 | 0 | 0 | 0 | 0 | 108.1 | D17 F21 | D17-T19 PolarHBondContact O-N 3.33Å; T19-F21 VanDerWaalsContact C-N 3.31Å; T19-F21 VanDerWaalsContact O-CD2 3.31Å; T19-F21 WeakPolarHBondContact O-CD2 3.44Å; T19-F21 PolarHBondContact O-N 3.39Å |
| 20 | S | 40.5 | Very low | 52.1 | Low | 110 Ų | 110 | 81.9 Ų | 81.9 | 77% | 0.769 | 46% | 0.463 | S | S | * | . | trans | 28.3 | 49 | 164.2 | 66.3 | 0 | 0 | 0 | 0 | 118.7 | W22 | S20-W22 PolarHBondContact O-N 2.59Š| ||
| 21 | F | 46.4 | Very low | 54.7 | Low | 183 Ų | 183 | 76.9 Ų | 76.9 | 80% | 0.803 | 43% | 0.43 | S | S | * | . | trans | -86.9 | 99 | 163.7 | -86 | -81.6 | 0 | 0 | 0 | 107.9 | T19 S23 | T19-F21 VanDerWaalsContact C-N 3.31Å; T19-F21 VanDerWaalsContact O-CD2 3.31Å; T19-F21 WeakPolarHBondContact O-CD2 3.44Å; T19-F21 PolarHBondContact O-N 3.39Å; F21-S23 PolarHBondContact O-N 3.47Å | ||
| 22 | W | 53.8 | Low | 57.4 | Low | 136 Ų | 136 | 72.3 Ų | 72.3 | 52% | 0.515 | 41% | 0.405 | S | S | . | . | trans | -61.7 | 106.8 | 174.2 | -65.8 | 73.6 | 0 | 0 | 0 | 107.3 | S20 H26 V27 L30 | S20-W22 PolarHBondContact O-N 2.59Å; W22-H26 HydrophobicContact CB-CB 3.76Å; W22-H26 HydrophobicContact CD2-CB 4.13Å; W22-H26 HydrophobicContact CE3-CB 3.54Å; W22-H26 HydrophobicContact CG-CB 4.3Å; W22-H26 HydrophobicContact CZ3-CB 4.36Å; W22-V27 HydrophobicContact CB-CG2 3.7Å; W22-L30 HydrophobicContact CE3-CB 4.39Å; W22-L30 HydrophobicContact CZ3-CB 4.38Å | ||
| 23 | S | 67.2 | Low | 60 | Low | 51 Ų | 51 | 71.8 Ų | 71.8 | 36% | 0.357 | 40% | 0.404 | S | S | . | . | trans | -54 | 160.2 | 171.6 | 81.5 | 0 | 0 | 0 | 0 | 109.5 | F21 A25 H26 V27 | F21-S23 PolarHBondContact O-N 3.47Å; S23-A25 CarbonylContact O-C 3.47Å; S23-A25 PolarHBondContact O-N 3.11Å; S23-A25 PolarHBondContact OG-N 2.68Å; S23-H26 WeakPolarHBondContact CB-ND1 3.17Å; S23-H26 PolarHBondContact N-ND1 3.03Å; S23-H26 CarbonylContact O-C 3.45Å; S23-H26 WeakPolarHBondContact O-CA 3.47Å; S23-H26 WeakPolarHBondContact O-CB 3.45Å; S23-H26 PolarHBondContact O-N 3.49Å; S23-H26 PolarHBondContact OG-N 2.96Å; S23-H26 PolarHBondContact OG-ND1 3.4Å; S23-V27 PolarHBondContact O-N 3.4Å | ||
| 24 | I | 73.4 | Confident | 62.8 | Low | 44 Ų | 44 | 71.5 Ų | 71.5 | 23% | 0.226 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -54.2 | -31.8 | 178.4 | -159.6 | 164.4 | 0 | 0 | 0 | 111.9 | V27 K28 G218 Y220 | I24-V27 PolarHBondContact O-N 2.95Å; I24-K28 VanDerWaalsContact O-CB 3.3Å; I24-K28 WeakPolarHBondContact O-CB 3.13Å; I24-K28 WeakPolarHBondContact O-CD 3.36Å; I24-K28 WeakPolarHBondContact O-CG 3.16Å; I24-K28 PolarHBondContact O-N 3.32Å; I24-G218 WeakPolarHBondContact CD1-O 3.49Å; I24-Y220 VanDerWaalsContact CA-CE1 3.5Å; I24-Y220 WeakPolarHBondContact CA-OH 3.4Å; I24-Y220 HydrophobicContact CB-CD1 4.42Å; I24-Y220 HydrophobicContact CB-CE1 3.64Å; I24-Y220 HydrophobicContact CB-CE2 4.16Å; I24-Y220 VanDerWaalsContact CB-CZ 3.47Å; I24-Y220 WeakPolarHBondContact CB-OH 3.44Å; I24-Y220 HydrophobicContact CD1-CD1 4.16Å; I24-Y220 HydrophobicContact CD1-CD2 3.95Å; I24-Y220 HydrophobicContact CD1-CE1 4.14Å; I24-Y220 HydrophobicContact CD1-CE2 3.92Å; I24-Y220 HydrophobicContact CD1-CG 4.07Å; I24-Y220 HydrophobicContact CG1-CD1 3.82Å; I24-Y220 HydrophobicContact CG1-CD2 4.41Å; I24-Y220 HydrophobicContact CG1-CE1 3.54Å; I24-Y220 HydrophobicContact CG1-CE2 4.16Å; I24-Y220 HydrophobicContact CG1-CG 4.26Å; I24-Y220 PolarHBondContact N-OH 3.1Å |
| 25 | A | 76.3 | Confident | 65.5 | Low | 25 Ų | 25 | 68.9 Ų | 68.9 | 21% | 0.207 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65 | -41 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S23 K28 L29 I275 | S23-A25 CarbonylContact O-C 3.47Å; S23-A25 PolarHBondContact O-N 3.11Å; S23-A25 PolarHBondContact OG-N 2.68Å; A25-K28 PolarHBondContact O-N 3.22Å; A25-L29 WeakPolarHBondContact O-CB 3.47Å; A25-L29 PolarHBondContact O-N 2.77Å; A25-I275 HydrophobicContact CB-CG2 4.14Å |
| 26 | H | 81.5 | Confident | 68.2 | Low | 93 Ų | 93 | 69.4 Ų | 69.4 | 43% | 0.431 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68.2 | -39.5 | 174.2 | -65.1 | 93.6 | 0 | 0 | 0 | 112.4 | W22 S23 L29 L30 | W22-H26 HydrophobicContact CB-CB 3.76Å; W22-H26 HydrophobicContact CD2-CB 4.13Å; W22-H26 HydrophobicContact CE3-CB 3.54Å; W22-H26 HydrophobicContact CG-CB 4.3Å; W22-H26 HydrophobicContact CZ3-CB 4.36Å; S23-H26 WeakPolarHBondContact CB-ND1 3.17Å; S23-H26 PolarHBondContact N-ND1 3.03Å; S23-H26 CarbonylContact O-C 3.45Å; S23-H26 WeakPolarHBondContact O-CA 3.47Å; S23-H26 WeakPolarHBondContact O-CB 3.45Å; S23-H26 PolarHBondContact O-N 3.49Å; S23-H26 PolarHBondContact OG-N 2.96Å; S23-H26 PolarHBondContact OG-ND1 3.4Å; H26-L29 WeakPolarHBondContact O-CB 3.4Å; H26-L29 PolarHBondContact O-N 3.01Å; H26-L30 WeakPolarHBondContact O-CB 3.42Å; H26-L30 PolarHBondContact O-N 3.05Å |
| 27 | V | 80.9 | Confident | 70.8 | Confident | 21 Ų | 21 | 69.4 Ų | 69.4 | 13% | 0.127 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.8 | -45.9 | 174.4 | 176.9 | 0 | 0 | 0 | 0 | 110 | W22 S23 I24 L29 L30 L31 Y220 F224 | W22-V27 HydrophobicContact CB-CG2 3.7Å; S23-V27 PolarHBondContact O-N 3.4Å; I24-V27 PolarHBondContact O-N 2.95Å; V27-L29 VanDerWaalsContact C-N 3.3Å; V27-L29 PolarHBondContact O-N 3.11Å; V27-L30 PolarHBondContact O-N 3.45Å; V27-L31 HydrophobicContact CG1-CD1 4.11Å; V27-L31 HydrophobicContact CG1-CG 4.35Å; V27-L31 WeakPolarHBondContact O-CB 3.25Å; V27-L31 VanDerWaalsContact O-CG 3.27Å; V27-L31 WeakPolarHBondContact O-CG 3.22Å; V27-L31 PolarHBondContact O-N 2.93Å; V27-Y220 HydrophobicContact CB-CD1 4.36Å; V27-Y220 HydrophobicContact CB-CE1 4.19Å; V27-Y220 HydrophobicContact CG1-CD1 4.34Å; V27-Y220 HydrophobicContact CG2-CD1 4.32Å; V27-Y220 HydrophobicContact CG2-CE1 3.9Å; V27-F224 HydrophobicContact CG1-CE2 3.96Å; V27-F224 HydrophobicContact CG1-CZ 3.77Å |
| 28 | K | 83.5 | Confident | 73.5 | Confident | 9 Ų | 9 | 65.4 Ų | 65.4 | 4% | 0.039 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -56.8 | -45.6 | 172.7 | -74.1 | 170 | 179.4 | -169 | 0 | 111.2 | I24 A25 L30 L31 I32 G215 I217 I275 | I24-K28 VanDerWaalsContact O-CB 3.3Å; I24-K28 WeakPolarHBondContact O-CB 3.13Å; I24-K28 WeakPolarHBondContact O-CD 3.36Å; I24-K28 WeakPolarHBondContact O-CG 3.16Å; I24-K28 PolarHBondContact O-N 3.32Å; A25-K28 PolarHBondContact O-N 3.22Å; K28-L30 PolarHBondContact O-N 3.09Å; K28-L31 PolarHBondContact O-N 3.13Å; K28-I32 WeakPolarHBondContact O-CB 3.34Å; K28-I32 WeakPolarHBondContact O-CD1 3.37Å; K28-I32 WeakPolarHBondContact O-CG1 3.24Å; K28-I32 PolarHBondContact O-N 3.16Å; K28-G215 PolarHBondContact NZ-O 2.91Å; K28-I217 WeakPolarHBondContact CE-O 3.31Å; K28-I217 PolarHBondContact NZ-O 3.47Å; K28-I275 HydrophobicContact CB-CD1 3.85Å; K28-I275 HydrophobicContact CB-CG1 4.14Å; K28-I275 HydrophobicContact CD-CG1 4.04Å |
| 29 | L | 85.5 | Confident | 76.1 | Confident | 57 Ų | 57 | 60.2 Ų | 60.2 | 30% | 0.298 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.3 | -47.7 | 177.3 | -179.4 | 65.4 | 0 | 0 | 0 | 111.3 | A25 H26 V27 L31 I32 V33 F272 | A25-L29 WeakPolarHBondContact O-CB 3.47Å; A25-L29 PolarHBondContact O-N 2.77Å; H26-L29 WeakPolarHBondContact O-CB 3.4Å; H26-L29 PolarHBondContact O-N 3.01Å; V27-L29 VanDerWaalsContact C-N 3.3Å; V27-L29 PolarHBondContact O-N 3.11Å; L29-L31 PolarHBondContact O-N 3.42Å; L29-I32 PolarHBondContact O-N 2.93Å; L29-V33 VanDerWaalsContact O-CG2 3.29Å; L29-V33 WeakPolarHBondContact O-CG2 3.36Å; L29-V33 PolarHBondContact O-N 3.24Å; L29-F272 HydrophobicContact CD1-CD1 4.14Å; L29-F272 HydrophobicContact CD1-CE1 3.13Å; L29-F272 HydrophobicContact CD1-CZ 3.38Å |
| 30 | L | 86.1 | Confident | 78.8 | Confident | 95 Ų | 95 | 58.8 Ų | 58.8 | 50% | 0.497 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 177.2 | -176.7 | 69.9 | 0 | 0 | 0 | 111.5 | W22 H26 V27 K28 V33 C34 | W22-L30 HydrophobicContact CE3-CB 4.39Å; W22-L30 HydrophobicContact CZ3-CB 4.38Å; H26-L30 WeakPolarHBondContact O-CB 3.42Å; H26-L30 PolarHBondContact O-N 3.05Å; V27-L30 PolarHBondContact O-N 3.45Å; K28-L30 PolarHBondContact O-N 3.09Å; L30-V33 PolarHBondContact O-N 3.08Å; L30-C34 WeakPolarHBondContact O-CB 3.27Å; L30-C34 PolarHBondContact O-N 2.71Å |
| 31 | L | 85.5 | Confident | 81.1 | Confident | 10 Ų | 10 | 55.5 Ų | 55.5 | 5% | 0.052 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.6 | -42.9 | 177.1 | -67.4 | 177.7 | 0 | 0 | 0 | 111.6 | V27 K28 L29 V33 C34 L35 M214 A223 F224 F227 | V27-L31 HydrophobicContact CG1-CD1 4.11Å; V27-L31 HydrophobicContact CG1-CG 4.35Å; V27-L31 WeakPolarHBondContact O-CB 3.25Å; V27-L31 VanDerWaalsContact O-CG 3.27Å; V27-L31 WeakPolarHBondContact O-CG 3.22Å; V27-L31 PolarHBondContact O-N 2.93Å; K28-L31 PolarHBondContact O-N 3.13Å; L29-L31 PolarHBondContact O-N 3.42Å; L31-V33 PolarHBondContact O-N 3.22Å; L31-C34 PolarHBondContact O-N 3.46Å; L31-L35 WeakPolarHBondContact O-CB 2.98Å; L31-L35 PolarHBondContact O-N 3.48Å; L31-M214 HydrophobicContact CB-CE 3.52Å; L31-M214 HydrophobicContact CD1-CE 4.31Å; L31-A223 HydrophobicContact CD1-CB 4.49Å; L31-F224 HydrophobicContact CD1-CD1 4.19Å; L31-F224 HydrophobicContact CD1-CE1 4.19Å; L31-F224 HydrophobicContact CD2-CD1 4.03Å; L31-F224 HydrophobicContact CD2-CE1 3.73Å; L31-F224 HydrophobicContact CG-CE1 4.39Å; L31-F227 HydrophobicContact CB-CD2 3.92Å; L31-F227 HydrophobicContact CB-CE2 4.18Å; L31-F227 HydrophobicContact CB-CG 4.4Å; L31-F227 HydrophobicContact CD1-CB 4.29Å; L31-F227 HydrophobicContact CD1-CG 4.45Å; L31-F227 HydrophobicContact CD2-CB 4.41Å; L31-F227 HydrophobicContact CD2-CD1 3.71Å; L31-F227 HydrophobicContact CD2-CD2 3.93Å; L31-F227 HydrophobicContact CD2-CE1 3.84Å; L31-F227 HydrophobicContact CD2-CE2 4.03Å; L31-F227 HydrophobicContact CD2-CG 3.74Å; L31-F227 HydrophobicContact CD2-CZ 3.99Å; L31-F227 HydrophobicContact CG-CD2 4.41Å; L31-F227 HydrophobicContact CG-CG 4.42Å; L31-F227 VanDerWaalsContact O-CE2 3.29Å; L31-F227 WeakPolarHBondContact O-CE2 3.42Å |
| 32 | I | 86.8 | Confident | 83.1 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 176.4 | -70.1 | 159.9 | 0 | 0 | 0 | 110.8 | K28 L29 L35 L36 M214 F272 I275 | K28-I32 WeakPolarHBondContact O-CB 3.34Å; K28-I32 WeakPolarHBondContact O-CD1 3.37Å; K28-I32 WeakPolarHBondContact O-CG1 3.24Å; K28-I32 PolarHBondContact O-N 3.16Å; L29-I32 PolarHBondContact O-N 2.93Å; I32-L35 PolarHBondContact O-N 3.16Å; I32-L36 PolarHBondContact O-N 3.41Å; I32-M214 HydrophobicContact CG1-SD 4.39Å; I32-F272 HydrophobicContact CG2-CE2 4.34Å; I32-I275 HydrophobicContact CD1-CD1 3.58Å; I32-I275 HydrophobicContact CD1-CG1 4.29Å |
| 33 | V | 87.9 | Confident | 84.7 | Confident | 69 Ų | 69 | 41.2 Ų | 41.2 | 42% | 0.418 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65 | -42.3 | 176.6 | 172.2 | 0 | 0 | 0 | 0 | 111 | L29 L30 L31 L35 L36 V37 | L29-V33 VanDerWaalsContact O-CG2 3.29Å; L29-V33 WeakPolarHBondContact O-CG2 3.36Å; L29-V33 PolarHBondContact O-N 3.24Å; L30-V33 PolarHBondContact O-N 3.08Å; L31-V33 PolarHBondContact O-N 3.22Å; V33-L35 VanDerWaalsContact C-N 3.3Å; V33-L35 PolarHBondContact O-N 2.9Å; V33-L36 WeakPolarHBondContact O-CB 3.1Å; V33-L36 PolarHBondContact O-N 2.96Å; V33-V37 WeakPolarHBondContact O-CG2 3.31Å; V33-V37 PolarHBondContact O-N 2.86Å; V33-V37 VanDerWaalsContact O-N 3.13Å |
| 34 | C | 88.4 | Confident | 85.7 | Confident | 57 Ų | 57 | 40.9 Ų | 40.9 | 39% | 0.385 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.9 | -42.4 | 175.9 | -169.7 | 0 | 0 | 0 | 0 | 111.2 | L30 L31 L36 V37 V38 F227 | L30-C34 WeakPolarHBondContact O-CB 3.27Å; L30-C34 PolarHBondContact O-N 2.71Å; L31-C34 PolarHBondContact O-N 3.46Å; C34-L36 PolarHBondContact O-N 3.4Å; C34-V37 PolarHBondContact O-N 3.06Å; C34-V38 WeakPolarHBondContact O-CG2 3.25Å; C34-V38 PolarHBondContact O-N 2.96Å; C34-F227 HydrophobicContact CB-CE2 4.19Å; C34-F227 HydrophobicContact CB-CZ 3.97Å |
| 35 | L | 85.8 | Confident | 86.2 | Confident | 5 Ų | 5 | 43.9 Ų | 43.9 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.5 | -37.9 | 178.1 | -150.1 | 120.1 | 0 | 0 | 0 | 112.2 | L31 I32 V33 V37 V38 T39 M214 F227 L230 | L31-L35 WeakPolarHBondContact O-CB 2.98Å; L31-L35 PolarHBondContact O-N 3.48Å; I32-L35 PolarHBondContact O-N 3.16Å; V33-L35 VanDerWaalsContact C-N 3.3Å; V33-L35 PolarHBondContact O-N 2.9Å; L35-V37 PolarHBondContact O-N 3.03Å; L35-V38 PolarHBondContact O-N 2.83Å; L35-T39 HydrophobicContact CD2-CG2 4.41Å; L35-T39 WeakPolarHBondContact O-CB 3.23Å; L35-T39 WeakPolarHBondContact O-CG2 3.42Å; L35-T39 PolarHBondContact O-N 2.81Å; L35-T39 PolarHBondContact O-OG1 2.89Å; L35-M214 HydrophobicContact CD1-CE 4.49Å; L35-M214 HydrophobicContact CD1-SD 4.27Å; L35-F227 HydrophobicContact CB-CE2 4.11Å; L35-F227 HydrophobicContact CD1-CD2 3.56Å; L35-F227 HydrophobicContact CD1-CE2 3.71Å; L35-F227 HydrophobicContact CG-CE2 4.46Å; L35-L230 HydrophobicContact CD1-CB 3.8Å |
| 36 | L | 90.1 | Very high | 86.5 | Confident | 52 Ų | 52 | 42.8 Ų | 42.8 | 27% | 0.272 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.6 | -46 | 172.7 | 178 | 68.5 | 0 | 0 | 0 | 111.4 | I32 V33 C34 T39 L40 A264 | I32-L36 PolarHBondContact O-N 3.41Å; V33-L36 WeakPolarHBondContact O-CB 3.1Å; V33-L36 PolarHBondContact O-N 2.96Å; C34-L36 PolarHBondContact O-N 3.4Å; L36-T39 WeakPolarHBondContact CA-OG1 3.26Å; L36-T39 PolarHBondContact O-N 3.34Å; L36-T39 PolarHBondContact O-OG1 3.05Å; L36-L40 VanDerWaalsContact O-CB 3.27Å; L36-L40 WeakPolarHBondContact O-CB 3.45Å; L36-L40 PolarHBondContact O-N 3.44Å; L36-A264 VanDerWaalsContact CD1-C 3.47Å; L36-A264 HydrophobicContact CD1-CB 3.93Å; L36-A264 VanDerWaalsContact CD1-O 3.25Å; L36-A264 WeakPolarHBondContact CD1-O 3.12Å |
| 37 | V | 89 | Confident | 86.5 | Confident | 97 Ų | 97 | 39.8 Ų | 39.8 | 59% | 0.588 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -65.7 | -45.3 | 179.8 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | V33 C34 L35 T39 G41 | V33-V37 WeakPolarHBondContact O-CG2 3.31Å; V33-V37 PolarHBondContact O-N 2.86Å; V33-V37 VanDerWaalsContact O-N 3.13Å; C34-V37 PolarHBondContact O-N 3.06Å; L35-V37 PolarHBondContact O-N 3.03Å; V37-T39 VanDerWaalsContact C-N 3.34Å; V37-T39 PolarHBondContact O-N 3.08Å; V37-G41 PolarHBondContact O-N 2.91Å |
| 38 | V | 88.7 | Confident | 86.4 | Confident | 54 Ų | 54 | 44 Ų | 44 | 33% | 0.327 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.4 | -41.4 | 178.9 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | C34 L35 S42 | C34-V38 WeakPolarHBondContact O-CG2 3.25Å; C34-V38 PolarHBondContact O-N 2.96Å; L35-V38 PolarHBondContact O-N 2.83Å; V38-S42 WeakPolarHBondContact O-CB 3.47Å; V38-S42 PolarHBondContact O-N 3.34Å; V38-S42 PolarHBondContact O-OG 3.12Å |
| 39 | T | 88.8 | Confident | 85.8 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73.7 | -39.4 | -178.5 | 51.7 | 0 | 0 | 0 | 0 | 113.2 | L35 L36 V37 S42 S43 R234 A238 | L35-T39 HydrophobicContact CD2-CG2 4.41Å; L35-T39 WeakPolarHBondContact O-CB 3.23Å; L35-T39 WeakPolarHBondContact O-CG2 3.42Å; L35-T39 PolarHBondContact O-N 2.81Å; L35-T39 PolarHBondContact O-OG1 2.89Å; L36-T39 WeakPolarHBondContact CA-OG1 3.26Å; L36-T39 PolarHBondContact O-N 3.34Å; L36-T39 PolarHBondContact O-OG1 3.05Å; V37-T39 VanDerWaalsContact C-N 3.34Å; V37-T39 PolarHBondContact O-N 3.08Å; T39-S42 WeakPolarHBondContact CA-OG 3.43Å; T39-S42 PolarHBondContact O-OG 3.43Å; T39-S42 VanDerWaalsContact O-OG 3.11Å; T39-S43 WeakPolarHBondContact O-CB 3.34Å; T39-S43 PolarHBondContact O-N 3.5Å; T39-S43 PolarHBondContact O-OG 3.15Å; T39-R234 HydrophobicContact CG2-CB 4.23Å; T39-R234 HydrophobicContact CG2-CG 3.65Å; T39-A238 WeakPolarHBondContact O-CB 3.41Å |
| 40 | L | 89.4 | Confident | 85.1 | Confident | 61 Ų | 61 | 47.6 Ų | 47.6 | 32% | 0.319 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67 | -41.8 | 174.3 | -171.4 | 136.6 | 0 | 0 | 0 | 111.3 | L36 S43 L44 T261 A264 | L36-L40 VanDerWaalsContact O-CB 3.27Å; L36-L40 WeakPolarHBondContact O-CB 3.45Å; L36-L40 PolarHBondContact O-N 3.44Å; L40-S43 PolarHBondContact O-OG 2.71Å; L40-L44 HydrophobicContact CD2-CD1 3.69Å; L40-L44 HydrophobicContact CG-CD1 4.04Å; L40-L44 WeakPolarHBondContact O-CB 3.35Å; L40-L44 WeakPolarHBondContact O-CG 3.43Å; L40-L44 PolarHBondContact O-N 3.43Å; L40-L44 VanDerWaalsContact O-N 3.15Å; L40-T261 HydrophobicContact CD1-CG2 3.97Å; L40-A264 HydrophobicContact CB-CB 3.98Å; L40-A264 HydrophobicContact CD1-CB 4.32Å |
| 41 | G | 88.2 | Confident | 84.3 | Confident | 41 Ų | 41 | 51.9 Ų | 51.9 | 42% | 0.423 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.1 | -47.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V37 F45 | V37-G41 PolarHBondContact O-N 2.91Å; G41-F45 WeakPolarHBondContact O-CB 3.41Å; G41-F45 PolarHBondContact O-N 2.98Å; G41-F45 VanDerWaalsContact O-N 3.09Å |
| 42 | S | 87.6 | Confident | 83.5 | Confident | 19 Ų | 19 | 55.7 Ų | 55.7 | 13% | 0.133 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.2 | -35.4 | -179.7 | 47.7 | 0 | 0 | 0 | 0 | 113.8 | V38 T39 P46 S235 A238 F239 | V38-S42 WeakPolarHBondContact O-CB 3.47Å; V38-S42 PolarHBondContact O-N 3.34Å; V38-S42 PolarHBondContact O-OG 3.12Å; T39-S42 WeakPolarHBondContact CA-OG 3.43Å; T39-S42 PolarHBondContact O-OG 3.43Å; T39-S42 VanDerWaalsContact O-OG 3.11Å; S42-P46 VanDerWaalsContact O-CD 3.31Å; S42-P46 WeakPolarHBondContact O-CD 3.32Å; S42-S235 WeakPolarHBondContact CB-O 3.39Å; S42-A238 VanDerWaalsContact OG-CB 3.26Å; S42-A238 WeakPolarHBondContact OG-CB 3.32Å; S42-F239 WeakPolarHBondContact O-CA 3.49Å |
| 43 | S | 87.5 | Confident | 82.5 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -74.8 | -28.2 | 177.7 | 54.2 | 0 | 0 | 0 | 0 | 114.7 | T39 L40 P46 A238 | T39-S43 WeakPolarHBondContact O-CB 3.34Å; T39-S43 PolarHBondContact O-N 3.5Å; T39-S43 PolarHBondContact O-OG 3.15Å; L40-S43 PolarHBondContact O-OG 2.71Å; S43-P46 WeakPolarHBondContact O-CD 3.27Å; S43-A238 VanDerWaalsContact CA-O 3.27Å; S43-A238 WeakPolarHBondContact CA-O 3.38Å; S43-A238 WeakPolarHBondContact CB-O 3.47Å |
| 44 | L | 87.8 | Confident | 81.5 | Confident | 44 Ų | 44 | 57.5 Ų | 57.5 | 23% | 0.23 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -86.1 | -20.3 | 175.2 | -65.5 | 175 | 0 | 0 | 0 | 112.6 | L40 P46 L47 I257 C260 | L40-L44 HydrophobicContact CD2-CD1 3.69Å; L40-L44 HydrophobicContact CG-CD1 4.04Å; L40-L44 WeakPolarHBondContact O-CB 3.35Å; L40-L44 WeakPolarHBondContact O-CG 3.43Å; L40-L44 PolarHBondContact O-N 3.43Å; L40-L44 VanDerWaalsContact O-N 3.15Å; L44-P46 VanDerWaalsContact C-CD 3.47Å; L44-P46 VanDerWaalsContact C-N 3.31Å; L44-L47 HydrophobicContact CD2-CD1 3.69Å; L44-L47 VanDerWaalsContact O-CB 3.27Å; L44-L47 WeakPolarHBondContact O-CB 3.49Å; L44-L47 PolarHBondContact O-N 2.82Å; L44-I257 HydrophobicContact CD2-CB 4.46Å; L44-I257 HydrophobicContact CD2-CG1 4.09Å; L44-I257 HydrophobicContact CD2-CG2 4.41Å; L44-C260 HydrophobicContact CD2-CB 3.94Å |
| 45 | F | 84.8 | Confident | 80.2 | Confident | 108 Ų | 108 | 60.7 Ų | 60.7 | 47% | 0.474 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -52.4 | -40.1 | -179.8 | -174.4 | -94 | 0 | 0 | 0 | 113.8 | G41 L47 L48 F239 | G41-F45 WeakPolarHBondContact O-CB 3.41Å; G41-F45 PolarHBondContact O-N 2.98Å; G41-F45 VanDerWaalsContact O-N 3.09Å; F45-L47 PolarHBondContact O-N 2.95Å; F45-L47 VanDerWaalsContact O-N 3.15Å; F45-L48 HydrophobicContact CD2-CD1 4.17Å; F45-L48 HydrophobicContact CE2-CD1 4.5Å; F45-L48 WeakPolarHBondContact O-CB 3.23Å; F45-L48 PolarHBondContact O-N 2.99Å; F45-L48 VanDerWaalsContact O-N 3.15Å; F45-F239 AromaticContact CD1-CD2 3.98Å; F45-F239 HydrophobicContact CD1-CD2 3.98Å; F45-F239 AromaticContact CD1-CE2 3.7Å; F45-F239 HydrophobicContact CD1-CE2 3.7Å; F45-F239 HydrophobicContact CE1-CE2 4.17Å |
| 46 | P | 82 | Confident | 79 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.006 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.3 | -25.6 | 172.3 | -30.8 | 39.4 | 0 | 0 | 0 | 115.7 | S42 S43 L44 L48 F49 R50 F239 L243 I246 | S42-P46 VanDerWaalsContact O-CD 3.31Å; S42-P46 WeakPolarHBondContact O-CD 3.32Å; S43-P46 WeakPolarHBondContact O-CD 3.27Å; L44-P46 VanDerWaalsContact C-CD 3.47Å; L44-P46 VanDerWaalsContact C-N 3.31Å; P46-L48 VanDerWaalsContact C-N 3.34Å; P46-L48 PolarHBondContact O-N 3.03Å; P46-F49 CarbonylContact O-C 3.56Å; P46-F49 WeakPolarHBondContact O-CA 3.49Å; P46-F49 VanDerWaalsContact O-CB 3.22Å; P46-F49 WeakPolarHBondContact O-CB 3.28Å; P46-F49 PolarHBondContact O-N 2.77Å; P46-R50 PolarHBondContact O-N 2.89Å; P46-F239 HydrophobicContact CG-CD2 3.67Å; P46-F239 HydrophobicContact CG-CE2 3.96Å; P46-F239 HydrophobicContact CG-CG 4.39Å; P46-F239 WeakPolarHBondContact CG-O 3.31Å; P46-L243 HydrophobicContact CB-CD2 3.88Å; P46-L243 HydrophobicContact CB-CG 4.11Å; P46-L243 HydrophobicContact CG-CD2 4.21Å; P46-L243 HydrophobicContact CG-CG 3.98Å; P46-I246 HydrophobicContact CB-CD1 3.51Å; P46-I246 WeakPolarHBondContact O-CD1 3.5Å |
| 47 | L | 81.7 | Confident | 77.5 | Confident | 31 Ų | 31 | 68.7 Ų | 68.7 | 16% | 0.162 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.4 | -32.4 | 178 | -68.5 | 171.1 | 0 | 0 | 0 | 112.7 | L44 F45 F49 R50 R51 I246 T253 V256 I257 | L44-L47 HydrophobicContact CD2-CD1 3.69Å; L44-L47 VanDerWaalsContact O-CB 3.27Å; L44-L47 WeakPolarHBondContact O-CB 3.49Å; L44-L47 PolarHBondContact O-N 2.82Å; F45-L47 PolarHBondContact O-N 2.95Å; F45-L47 VanDerWaalsContact O-N 3.15Å; L47-F49 PolarHBondContact O-N 2.87Å; L47-R50 WeakPolarHBondContact O-CB 3.38Å; L47-R50 PolarHBondContact O-N 2.81Å; L47-R51 PolarHBondContact O-N 3.11Å; L47-I246 HydrophobicContact CD2-CD1 3.69Å; L47-I246 HydrophobicContact CD2-CG1 3.85Å; L47-I246 HydrophobicContact CG-CD1 4.07Å; L47-T253 HydrophobicContact CD2-CG2 4.07Å; L47-V256 HydrophobicContact CD2-CB 4.43Å; L47-V256 HydrophobicContact CD2-CG1 3.97Å; L47-V256 HydrophobicContact CG-CG1 4.49Å; L47-I257 HydrophobicContact CD1-CD1 4.35Å; L47-I257 HydrophobicContact CD1-CG1 3.65Å |
| 48 | L | 79.9 | Confident | 76.5 | Confident | 108 Ų | 108 | 66.4 Ų | 66.4 | 57% | 0.565 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.4 | -36.6 | 170.5 | -63.9 | 170.8 | 0 | 0 | 0 | 109.9 | F45 P46 R51 I52 | F45-L48 HydrophobicContact CD2-CD1 4.17Å; F45-L48 HydrophobicContact CE2-CD1 4.5Å; F45-L48 WeakPolarHBondContact O-CB 3.23Å; F45-L48 PolarHBondContact O-N 2.99Å; F45-L48 VanDerWaalsContact O-N 3.15Å; P46-L48 VanDerWaalsContact C-N 3.34Å; P46-L48 PolarHBondContact O-N 3.03Å; L48-R51 WeakPolarHBondContact O-CB 3.4Å; L48-R51 PolarHBondContact O-N 3.16Å; L48-I52 WeakPolarHBondContact O-CG1 3.48Å; L48-I52 PolarHBondContact O-N 3.22Å |
| 49 | F | 70.6 | Confident | 75.4 | Confident | 61 Ų | 61 | 70.4 Ų | 70.4 | 27% | 0.268 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -72.9 | -35.7 | 176.9 | -121.9 | -85.6 | 0 | 0 | 0 | 113.7 | P46 L47 R51 I52 V53 V65 F69 | P46-F49 CarbonylContact O-C 3.56Å; P46-F49 WeakPolarHBondContact O-CA 3.49Å; P46-F49 VanDerWaalsContact O-CB 3.22Å; P46-F49 WeakPolarHBondContact O-CB 3.28Å; P46-F49 PolarHBondContact O-N 2.77Å; L47-F49 PolarHBondContact O-N 2.87Å; F49-R51 PolarHBondContact O-N 3.08Å; F49-I52 HydrophobicContact CD2-CD1 4.3Å; F49-I52 HydrophobicContact CG-CD1 4.5Å; F49-I52 PolarHBondContact O-N 2.98Å; F49-V53 HydrophobicContact CD1-CG2 4.13Å; F49-V53 WeakPolarHBondContact O-CB 3.31Å; F49-V53 WeakPolarHBondContact O-CG2 3.39Å; F49-V53 PolarHBondContact O-N 2.75Å; F49-V65 HydrophobicContact CD1-CG1 3.75Å; F49-V65 HydrophobicContact CE1-CB 4.3Å; F49-V65 HydrophobicContact CE1-CG1 3.44Å; F49-V65 VanDerWaalsContact CE1-CG1 3.44Å; F49-V65 HydrophobicContact CE1-CG2 3.85Å; F49-F69 HydrophobicContact CB-CZ 4.02Å; F49-F69 AromaticContact CD1-CE2 3.51Å; F49-F69 HydrophobicContact CD1-CE2 3.51Å; F49-F69 AromaticContact CD1-CZ 3.4Å; F49-F69 HydrophobicContact CD1-CZ 3.4Å; F49-F69 HydrophobicContact CD2-CZ 4.03Å; F49-F69 AromaticContact CE1-CE2 3.83Å; F49-F69 HydrophobicContact CE1-CE2 3.83Å; F49-F69 AromaticContact CE1-CZ 3.76Å; F49-F69 HydrophobicContact CE1-CZ 3.76Å; F49-F69 HydrophobicContact CE2-CZ 4.34Å; F49-F69 HydrophobicContact CG-CE2 4.1Å; F49-F69 AromaticContact CG-CZ 3.54Å; F49-F69 HydrophobicContact CG-CZ 3.54Å; F49-F69 HydrophobicContact CZ-CZ 4.21Å |
| 50 | R | 70.8 | Confident | 74.5 | Confident | 82 Ų | 82 | 79.9 Ų | 79.9 | 31% | 0.309 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -53.8 | -39.4 | 170.3 | -171.3 | -179.3 | -179.6 | 161.5 | 1.1 | 110.9 | P46 L47 V53 S54 I246 T253 | P46-R50 PolarHBondContact O-N 2.89Å; L47-R50 WeakPolarHBondContact O-CB 3.38Å; L47-R50 PolarHBondContact O-N 2.81Å; R50-V53 PolarHBondContact O-N 2.77Å; R50-S54 WeakPolarHBondContact O-CB 3.36Å; R50-S54 PolarHBondContact O-N 2.77Å; R50-S54 PolarHBondContact O-OG 2.81Å; R50-I246 HydrophobicContact CB-CD1 4.38Å; R50-I246 HydrophobicContact CB-CG2 3.92Å; R50-I246 HydrophobicContact CG-CG2 3.84Å; R50-T253 PolarHBondContact NH1-OG1 3.25Å |
| 51 | R | 69.7 | Low | 73.5 | Confident | 184 Ų | 184 | 80.7 Ų | 80.7 | 69% | 0.694 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -69.7 | -35.9 | 177.7 | -150 | 173.2 | -169.8 | 168.2 | 1.7 | 112.6 | L47 L48 F49 S54 N55 | L47-R51 PolarHBondContact O-N 3.11Å; L48-R51 WeakPolarHBondContact O-CB 3.4Å; L48-R51 PolarHBondContact O-N 3.16Å; F49-R51 PolarHBondContact O-N 3.08Å; R51-S54 PolarHBondContact O-OG 2.91Å; R51-S54 VanDerWaalsContact O-OG 3.06Å; R51-N55 WeakPolarHBondContact O-CB 3.47Å; R51-N55 VanDerWaalsContact O-CG 3.27Å; R51-N55 PolarHBondContact O-N 3.13Å |
| 52 | I | 68.3 | Low | 72.5 | Confident | 91 Ų | 91 | 84.5 Ų | 84.5 | 47% | 0.467 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -69 | -42.7 | 174.1 | -63.4 | 167.3 | 0 | 0 | 0 | 110.5 | L48 F49 N55 A56 | L48-I52 WeakPolarHBondContact O-CG1 3.48Å; L48-I52 PolarHBondContact O-N 3.22Å; F49-I52 HydrophobicContact CD2-CD1 4.3Å; F49-I52 HydrophobicContact CG-CD1 4.5Å; F49-I52 PolarHBondContact O-N 2.98Å; I52-N55 PolarHBondContact O-N 3.41Å; I52-A56 WeakPolarHBondContact O-CB 3.48Å; I52-A56 PolarHBondContact O-N 3.03Å; I52-A56 VanDerWaalsContact O-N 3.09Å |
| 53 | V | 65.8 | Low | 71.6 | Confident | 41 Ų | 41 | 89.5 Ų | 89.5 | 25% | 0.248 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -73.4 | -31.3 | -179.5 | 172.2 | 0 | 0 | 0 | 0 | 112.9 | F49 R50 R62 V65 | F49-V53 HydrophobicContact CD1-CG2 4.13Å; F49-V53 WeakPolarHBondContact O-CB 3.31Å; F49-V53 WeakPolarHBondContact O-CG2 3.39Å; F49-V53 PolarHBondContact O-N 2.75Å; R50-V53 PolarHBondContact O-N 2.77Å; V53-R62 HydrophobicContact CG1-CG 4.21Å; V53-R62 PolarHBondContact O-NE 3.05Å; V53-R62 PolarHBondContact O-NH2 2.85Å; V53-V65 HydrophobicContact CG2-CB 4.42Å; V53-V65 HydrophobicContact CG2-CG1 3.69Å |
| 54 | S | 66.7 | Low | 70.9 | Confident | 70 Ų | 70 | 95.3 Ų | 95.3 | 49% | 0.49 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -71.2 | -32.3 | 173.2 | 68.3 | 0 | 0 | 0 | 0 | 112.3 | R50 R51 | R50-S54 WeakPolarHBondContact O-CB 3.36Å; R50-S54 PolarHBondContact O-N 2.77Å; R50-S54 PolarHBondContact O-OG 2.81Å; R51-S54 PolarHBondContact O-OG 2.91Å; R51-S54 VanDerWaalsContact O-OG 3.06Å |
| 55 | N | 60.2 | Low | 70.1 | Confident | 124 Ų | 124 | 94.1 Ų | 94.1 | 66% | 0.663 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -89.8 | -12.7 | -178.3 | -71.1 | 2.1 | 0 | 0 | 0 | 113.8 | R51 I52 Q57 | R51-N55 WeakPolarHBondContact O-CB 3.47Å; R51-N55 VanDerWaalsContact O-CG 3.27Å; R51-N55 PolarHBondContact O-N 3.13Å; I52-N55 PolarHBondContact O-N 3.41Å; N55-Q57 PolarHBondContact O-N 2.92Å |
| 56 | A | 61 | Low | 69.4 | Low | 19 Ų | 19 | 93.7 Ų | 93.7 | 16% | 0.157 | 45% | 0.454 | C | S | . | . | trans | -76.4 | 109 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | I52 S58 I61 | I52-A56 WeakPolarHBondContact O-CB 3.48Å; I52-A56 PolarHBondContact O-N 3.03Å; I52-A56 VanDerWaalsContact O-N 3.09Å; A56-S58 VanDerWaalsContact C-N 3.26Å; A56-S58 PolarHBondContact O-N 2.78Å; A56-I61 HydrophobicContact CB-CB 4.29Å; A56-I61 HydrophobicContact CB-CG2 3.89Å | ||
| 57 | Q | 58 | Low | 69 | Low | 205 Ų | 205 | 95.8 Ų | 95.8 | 96% | 0.958 | 47% | 0.466 | S | S | * | . | trans | -70.5 | -16.4 | 176.7 | -74.9 | -176.9 | -27.3 | 0 | 0 | 113.8 | N55 | N55-Q57 PolarHBondContact O-N 2.92Š| ||
| 58 | S | 68.1 | Low | 68.9 | Low | 49 Ų | 49 | 99.2 Ų | 99.2 | 34% | 0.343 | 48% | 0.484 | S | S | . | . | trans | -96.9 | 130.6 | -175 | 80.4 | 0 | 0 | 0 | 0 | 113.6 | A56 R60 I61 R62 | A56-S58 VanDerWaalsContact C-N 3.26Å; A56-S58 PolarHBondContact O-N 2.78Å; S58-R60 PolarHBondContact O-N 3.08Å; S58-I61 PolarHBondContact O-N 3.4Å; S58-I61 WeakPolarHBondContact OG-CB 3.26Å; S58-I61 VanDerWaalsContact OG-CD1 3.27Å; S58-I61 WeakPolarHBondContact OG-CD1 3.45Å; S58-I61 WeakPolarHBondContact OG-CG1 3.29Å; S58-I61 PolarHBondContact OG-N 3.06Å; S58-R62 PolarHBondContact O-N 2.92Å | ||
| 59 | L | 67.1 | Low | 68.6 | Low | 138 Ų | 138 | 95.7 Ų | 95.7 | 72% | 0.723 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -57.4 | -32.3 | 172.9 | -91.3 | 148.7 | 0 | 0 | 0 | 112.8 | R62 Q63 | L59-R62 PolarHBondContact O-N 3.16Å; L59-Q63 WeakPolarHBondContact O-CG 3.42Å; L59-Q63 PolarHBondContact O-N 3.27Å |
| 60 | R | 68.6 | Low | 68.9 | Low | 201 Ų | 201 | 93.4 Ų | 93.4 | 76% | 0.758 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -65.2 | -44.9 | 177.1 | -84.8 | -173.3 | -174.3 | 171.7 | 2.8 | 113.1 | S58 R62 Q63 Q64 | S58-R60 PolarHBondContact O-N 3.08Å; R60-R62 VanDerWaalsContact C-N 3.32Å; R60-R62 PolarHBondContact O-N 2.93Å; R60-Q63 PolarHBondContact O-N 2.83Å; R60-Q64 WeakPolarHBondContact O-CB 3.43Å; R60-Q64 WeakPolarHBondContact O-CG 3.37Å; R60-Q64 PolarHBondContact O-N 3.35Å |
| 61 | I | 69.3 | Low | 69.4 | Low | 77 Ų | 77 | 90.8 Ų | 90.8 | 40% | 0.395 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.3 | -41.3 | 178.8 | -68.6 | 170.3 | 0 | 0 | 0 | 109.5 | A56 S58 Q63 Q64 V65 | A56-I61 HydrophobicContact CB-CB 4.29Å; A56-I61 HydrophobicContact CB-CG2 3.89Å; S58-I61 PolarHBondContact O-N 3.4Å; S58-I61 WeakPolarHBondContact OG-CB 3.26Å; S58-I61 VanDerWaalsContact OG-CD1 3.27Å; S58-I61 WeakPolarHBondContact OG-CD1 3.45Å; S58-I61 WeakPolarHBondContact OG-CG1 3.29Å; S58-I61 PolarHBondContact OG-N 3.06Å; I61-Q63 PolarHBondContact O-N 3.19Å; I61-Q64 PolarHBondContact O-N 2.81Å; I61-V65 HydrophobicContact CG2-CG2 4.21Å; I61-V65 WeakPolarHBondContact O-CB 3.43Å; I61-V65 WeakPolarHBondContact O-CG2 3.29Å; I61-V65 PolarHBondContact O-N 2.91Å |
| 62 | R | 66.3 | Low | 69.8 | Low | 121 Ų | 121 | 85.6 Ų | 85.6 | 46% | 0.457 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -57.9 | -46.7 | 173.8 | -79.5 | -170.9 | 167 | -179.7 | 0.1 | 112.3 | V53 S58 L59 R60 V65 V66 | V53-R62 HydrophobicContact CG1-CG 4.21Å; V53-R62 PolarHBondContact O-NE 3.05Å; V53-R62 PolarHBondContact O-NH2 2.85Å; S58-R62 PolarHBondContact O-N 2.92Å; L59-R62 PolarHBondContact O-N 3.16Å; R60-R62 VanDerWaalsContact C-N 3.32Å; R60-R62 PolarHBondContact O-N 2.93Å; R62-V65 PolarHBondContact O-N 2.98Å; R62-V66 VanDerWaalsContact O-CG2 3.26Å; R62-V66 WeakPolarHBondContact O-CG2 3.31Å; R62-V66 PolarHBondContact O-N 3.15Å |
| 63 | Q | 69.6 | Low | 70.3 | Confident | 125 Ų | 125 | 82.2 Ų | 82.2 | 58% | 0.584 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -66.4 | -40.6 | 178.4 | -75.4 | 176 | -16.6 | 0 | 0 | 113 | L59 R60 I61 V66 T67 | L59-Q63 WeakPolarHBondContact O-CG 3.42Å; L59-Q63 PolarHBondContact O-N 3.27Å; R60-Q63 PolarHBondContact O-N 2.83Å; I61-Q63 PolarHBondContact O-N 3.19Å; Q63-V66 PolarHBondContact O-N 2.82Å; Q63-T67 WeakPolarHBondContact O-CB 3.42Å; Q63-T67 PolarHBondContact O-N 2.81Å; Q63-T67 PolarHBondContact O-OG1 2.93Å |
| 64 | Q | 73.4 | Confident | 71.2 | Confident | 122 Ų | 122 | 80.7 Ų | 80.7 | 57% | 0.57 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -63.5 | -43.8 | 176.1 | -77.5 | 179.8 | -22.4 | 0 | 0 | 111.8 | R60 I61 T67 I68 | R60-Q64 WeakPolarHBondContact O-CB 3.43Å; R60-Q64 WeakPolarHBondContact O-CG 3.37Å; R60-Q64 PolarHBondContact O-N 3.35Å; I61-Q64 PolarHBondContact O-N 2.81Å; Q64-T67 PolarHBondContact O-N 2.82Å; Q64-I68 VanDerWaalsContact O-CG1 3.29Å; Q64-I68 WeakPolarHBondContact O-CG1 3.39Å; Q64-I68 PolarHBondContact O-N 2.86Å |
| 65 | V | 69.5 | Low | 72 | Confident | 18 Ų | 18 | 79.7 Ų | 79.7 | 11% | 0.109 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.9 | -46 | 177.8 | 168.3 | 0 | 0 | 0 | 0 | 111.1 | F49 V53 I61 R62 T67 I68 F69 | F49-V65 HydrophobicContact CD1-CG1 3.75Å; F49-V65 HydrophobicContact CE1-CB 4.3Å; F49-V65 HydrophobicContact CE1-CG1 3.44Å; F49-V65 VanDerWaalsContact CE1-CG1 3.44Å; F49-V65 HydrophobicContact CE1-CG2 3.85Å; V53-V65 HydrophobicContact CG2-CB 4.42Å; V53-V65 HydrophobicContact CG2-CG1 3.69Å; I61-V65 HydrophobicContact CG2-CG2 4.21Å; I61-V65 WeakPolarHBondContact O-CB 3.43Å; I61-V65 WeakPolarHBondContact O-CG2 3.29Å; I61-V65 PolarHBondContact O-N 2.91Å; R62-V65 PolarHBondContact O-N 2.98Å; V65-T67 VanDerWaalsContact C-N 3.28Å; V65-T67 PolarHBondContact O-N 3.22Å; V65-I68 PolarHBondContact O-N 2.84Å; V65-F69 HydrophobicContact CG1-CD2 3.53Å; V65-F69 HydrophobicContact CG1-CE2 3.23Å; V65-F69 HydrophobicContact CG1-CZ 4.31Å; V65-F69 WeakPolarHBondContact O-CD2 3.23Å; V65-F69 WeakPolarHBondContact O-CG 3.21Å; V65-F69 PolarHBondContact O-N 3.41Å |
| 66 | V | 70 | Confident | 72.9 | Confident | 99 Ų | 99 | 74.1 Ų | 74.1 | 60% | 0.6 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -60.7 | -39.4 | 174.9 | 172 | 0 | 0 | 0 | 0 | 111.3 | R62 Q63 F69 S70 | R62-V66 VanDerWaalsContact O-CG2 3.26Å; R62-V66 WeakPolarHBondContact O-CG2 3.31Å; R62-V66 PolarHBondContact O-N 3.15Å; Q63-V66 PolarHBondContact O-N 2.82Å; V66-F69 PolarHBondContact O-N 2.79Å; V66-S70 WeakPolarHBondContact O-CB 3.18Å; V66-S70 PolarHBondContact O-N 2.81Å |
| 67 | T | 75.5 | Confident | 73.9 | Confident | 45 Ų | 45 | 73.2 Ų | 73.2 | 28% | 0.276 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -67 | -45.5 | 178.3 | -54.8 | 0 | 0 | 0 | 0 | 111.8 | Q63 Q64 V65 F69 S70 L71 L321 | Q63-T67 WeakPolarHBondContact O-CB 3.42Å; Q63-T67 PolarHBondContact O-N 2.81Å; Q63-T67 PolarHBondContact O-OG1 2.93Å; Q64-T67 PolarHBondContact O-N 2.82Å; V65-T67 VanDerWaalsContact C-N 3.28Å; V65-T67 PolarHBondContact O-N 3.22Å; T67-F69 VanDerWaalsContact C-N 3.31Å; T67-F69 PolarHBondContact O-N 3.15Å; T67-S70 PolarHBondContact O-N 3.44Å; T67-L71 HydrophobicContact CG2-CD1 4.5Å; T67-L71 WeakPolarHBondContact O-CG 3.11Å; T67-L71 PolarHBondContact O-N 2.81Å; T67-L321 HydrophobicContact CG2-CD1 3.8Å; T67-L321 HydrophobicContact CG2-CD2 3.57Å; T67-L321 HydrophobicContact CG2-CG 4.35Å |
| 68 | I | 77.6 | Confident | 75.2 | Confident | 103 Ų | 103 | 63.4 Ų | 63.4 | 53% | 0.528 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 176.2 | -69.1 | 165.9 | 0 | 0 | 0 | 110.2 | Q64 V65 L71 L72 | Q64-I68 VanDerWaalsContact O-CG1 3.29Å; Q64-I68 WeakPolarHBondContact O-CG1 3.39Å; Q64-I68 PolarHBondContact O-N 2.86Å; V65-I68 PolarHBondContact O-N 2.84Å; I68-L71 PolarHBondContact O-N 2.88Å; I68-L72 WeakPolarHBondContact O-CB 3.4Å; I68-L72 PolarHBondContact O-N 2.81Å |
| 69 | F | 74.1 | Confident | 76 | Confident | 35 Ų | 35 | 61.2 Ų | 61.2 | 15% | 0.154 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.5 | -38.6 | 176.7 | -76.2 | -52.8 | 0 | 0 | 0 | 113.1 | F49 V65 V66 T67 L71 L72 S73 F239 L243 | F49-F69 HydrophobicContact CB-CZ 4.02Å; F49-F69 AromaticContact CD1-CE2 3.51Å; F49-F69 HydrophobicContact CD1-CE2 3.51Å; F49-F69 AromaticContact CD1-CZ 3.4Å; F49-F69 HydrophobicContact CD1-CZ 3.4Å; F49-F69 HydrophobicContact CD2-CZ 4.03Å; F49-F69 AromaticContact CE1-CE2 3.83Å; F49-F69 HydrophobicContact CE1-CE2 3.83Å; F49-F69 AromaticContact CE1-CZ 3.76Å; F49-F69 HydrophobicContact CE1-CZ 3.76Å; F49-F69 HydrophobicContact CE2-CZ 4.34Å; F49-F69 HydrophobicContact CG-CE2 4.1Å; F49-F69 AromaticContact CG-CZ 3.54Å; F49-F69 HydrophobicContact CG-CZ 3.54Å; F49-F69 HydrophobicContact CZ-CZ 4.21Å; V65-F69 HydrophobicContact CG1-CD2 3.53Å; V65-F69 HydrophobicContact CG1-CE2 3.23Å; V65-F69 HydrophobicContact CG1-CZ 4.31Å; V65-F69 WeakPolarHBondContact O-CD2 3.23Å; V65-F69 WeakPolarHBondContact O-CG 3.21Å; V65-F69 PolarHBondContact O-N 3.41Å; V66-F69 PolarHBondContact O-N 2.79Å; T67-F69 VanDerWaalsContact C-N 3.31Å; T67-F69 PolarHBondContact O-N 3.15Å; F69-L71 VanDerWaalsContact C-N 3.34Å; F69-L72 PolarHBondContact O-N 2.81Å; F69-S73 VanDerWaalsContact O-CB 3.26Å; F69-S73 WeakPolarHBondContact O-CB 3.49Å; F69-S73 PolarHBondContact O-N 3.2Å; F69-S73 PolarHBondContact O-OG 2.93Å; F69-F239 HydrophobicContact CD1-CE1 4.48Å; F69-F239 HydrophobicContact CD1-CZ 4.13Å; F69-F239 HydrophobicContact CE1-CE1 4.46Å; F69-F239 HydrophobicContact CE1-CE2 4.4Å; F69-F239 AromaticContact CE1-CZ 3.69Å; F69-F239 HydrophobicContact CE1-CZ 3.69Å; F69-L243 HydrophobicContact CB-CD1 4.48Å; F69-L243 HydrophobicContact CD1-CD1 3.41Å; F69-L243 VanDerWaalsContact CD1-CD1 3.41Å; F69-L243 HydrophobicContact CD1-CD2 3.51Å; F69-L243 HydrophobicContact CD1-CG 4.12Å; F69-L243 HydrophobicContact CD2-CD2 4.13Å; F69-L243 HydrophobicContact CE1-CD1 3.83Å; F69-L243 HydrophobicContact CE1-CD2 3.3Å; F69-L243 HydrophobicContact CE1-CG 4.17Å; F69-L243 HydrophobicContact CE2-CD2 3.92Å; F69-L243 HydrophobicContact CG-CD1 4.14Å; F69-L243 HydrophobicContact CG-CD2 3.94Å; F69-L243 HydrophobicContact CZ-CD2 3.52Å |
| 70 | S | 77.7 | Confident | 76.8 | Confident | 13 Ų | 13 | 55 Ų | 55 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.1 | -41.1 | 174.7 | -169.2 | 0 | 0 | 0 | 0 | 111 | V66 T67 S73 C74 E313 K325 | V66-S70 WeakPolarHBondContact O-CB 3.18Å; V66-S70 PolarHBondContact O-N 2.81Å; T67-S70 PolarHBondContact O-N 3.44Å; S70-S73 PolarHBondContact O-N 2.84Å; S70-C74 PolarHBondContact O-N 2.65Å; S70-C74 PolarHBondContact O-SG 3.07Å; S70-C74 VanDerWaalsContact O-SG 3.32Å; S70-E313 WeakPolarHBondContact CA-OE2 3.32Å; S70-E313 WeakPolarHBondContact CB-OE2 3.43Å; S70-E313 PolarHBondContact OG-OE2 3.36Å; S70-K325 WeakPolarHBondContact OG-CE 3.37Å; S70-K325 PolarHBondContact OG-NZ 3.42Å |
| 71 | L | 81.8 | Confident | 77.7 | Confident | 26 Ų | 26 | 47.1 Ų | 47.1 | 14% | 0.136 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.9 | -43.8 | 174.2 | -68.6 | 175.9 | 0 | 0 | 0 | 112.8 | T67 I68 F69 S73 C74 F75 V324 K325 F328 | T67-L71 HydrophobicContact CG2-CD1 4.5Å; T67-L71 WeakPolarHBondContact O-CG 3.11Å; T67-L71 PolarHBondContact O-N 2.81Å; I68-L71 PolarHBondContact O-N 2.88Å; F69-L71 VanDerWaalsContact C-N 3.34Å; L71-S73 VanDerWaalsContact C-N 3.28Å; L71-S73 PolarHBondContact O-N 2.87Å; L71-C74 PolarHBondContact O-N 3.41Å; L71-F75 PolarHBondContact O-N 3.3Å; L71-V324 HydrophobicContact CD1-CG1 4.38Å; L71-V324 HydrophobicContact CD2-CB 4.27Å; L71-V324 HydrophobicContact CD2-CG1 3.72Å; L71-K325 HydrophobicContact CD2-CG 3.99Å; L71-F328 HydrophobicContact CB-CD1 4.47Å; L71-F328 HydrophobicContact CB-CG 4.49Å; L71-F328 HydrophobicContact CD1-CE2 4.49Å; L71-F328 HydrophobicContact CD2-CD2 4.14Å; L71-F328 HydrophobicContact CD2-CG 4.45Å |
| 72 | L | 78.2 | Confident | 78.4 | Confident | 76 Ų | 76 | 43.5 Ų | 43.5 | 40% | 0.398 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -66.3 | -33.1 | 177.3 | -140.6 | 80.5 | 0 | 0 | 0 | 111.7 | I68 F69 F75 G76 F239 | I68-L72 WeakPolarHBondContact O-CB 3.4Å; I68-L72 PolarHBondContact O-N 2.81Å; F69-L72 PolarHBondContact O-N 2.81Å; L72-F75 PolarHBondContact O-N 2.71Å; L72-G76 PolarHBondContact O-N 3.47Å; L72-F239 HydrophobicContact CD2-CD1 4.36Å; L72-F239 HydrophobicContact CD2-CE1 3.46Å; L72-F239 VanDerWaalsContact CD2-CE1 3.46Å; L72-F239 HydrophobicContact CD2-CZ 3.87Å |
| 73 | S | 78.1 | Confident | 79.2 | Confident | 20 Ų | 20 | 37.8 Ų | 37.8 | 14% | 0.14 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.9 | -39.3 | 175.4 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | F69 S70 L71 G76 G77 | F69-S73 VanDerWaalsContact O-CB 3.26Å; F69-S73 WeakPolarHBondContact O-CB 3.49Å; F69-S73 PolarHBondContact O-N 3.2Å; F69-S73 PolarHBondContact O-OG 2.93Å; S70-S73 PolarHBondContact O-N 2.84Å; L71-S73 VanDerWaalsContact C-N 3.28Å; L71-S73 PolarHBondContact O-N 2.87Å; S73-G76 PolarHBondContact O-N 2.77Å; S73-G77 PolarHBondContact O-N 3.17Å |
| 74 | C | 83.6 | Confident | 80 | Confident | 8 Ų | 8 | 31.9 Ų | 31.9 | 5% | 0.054 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.4 | -42 | 171 | -68.8 | 0 | 0 | 0 | 0 | 112.2 | S70 L71 G77 G78 K325 F329 | S70-C74 PolarHBondContact O-N 2.65Å; S70-C74 PolarHBondContact O-SG 3.07Å; S70-C74 VanDerWaalsContact O-SG 3.32Å; L71-C74 PolarHBondContact O-N 3.41Å; C74-G77 PolarHBondContact O-N 2.94Å; C74-G78 PolarHBondContact O-N 3Å; C74-K325 HydrophobicContact CB-CB 4.35Å; C74-K325 WeakPolarHBondContact CB-O 3.3Å; C74-F329 WeakPolarHBondContact O-CA 3.46Å |
| 75 | F | 84.5 | Confident | 80.7 | Confident | 50 Ų | 50 | 29.7 Ų | 29.7 | 22% | 0.219 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60 | -46.2 | 172.4 | 179.2 | -94 | 0 | 0 | 0 | 111.7 | L71 L72 G77 G78 V79 F328 A331 G332 T335 | L71-F75 PolarHBondContact O-N 3.3Å; L72-F75 PolarHBondContact O-N 2.71Å; F75-G77 VanDerWaalsContact C-N 3.33Å; F75-G77 PolarHBondContact O-N 2.53Å; F75-G78 WeakPolarHBondContact O-CA 3.24Å; F75-G78 PolarHBondContact O-N 3.24Å; F75-G78 VanDerWaalsContact O-N 3.1Å; F75-V79 HydrophobicContact CD1-CG2 4.07Å; F75-V79 HydrophobicContact CE1-CG2 3.64Å; F75-V79 HydrophobicContact CZ-CG2 3.95Å; F75-V79 WeakPolarHBondContact O-CG2 3.39Å; F75-V79 PolarHBondContact O-N 2.99Å; F75-F328 WeakPolarHBondContact CA-O 3.17Å; F75-F328 HydrophobicContact CB-CB 4.31Å; F75-F328 HydrophobicContact CB-CD1 4.18Å; F75-F328 HydrophobicContact CD2-CD1 4.49Å; F75-F328 WeakPolarHBondContact CD2-O 3.32Å; F75-A331 HydrophobicContact CD2-CB 4.33Å; F75-A331 HydrophobicContact CE2-CB 4.32Å; F75-G332 VanDerWaalsContact CE2-CA 3.45Å; F75-T335 HydrophobicContact CE2-CG2 4.2Å; F75-T335 HydrophobicContact CZ-CG2 4.09Å |
| 76 | G | 78.8 | Confident | 81.4 | Confident | 6 Ų | 6 | 32.6 Ų | 32.6 | 6% | 0.062 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.8 | -43 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L72 S73 G78 V79 F80 | L72-G76 PolarHBondContact O-N 3.47Å; S73-G76 PolarHBondContact O-N 2.77Å; G76-G78 VanDerWaalsContact C-N 3.28Å; G76-G78 PolarHBondContact O-N 3.32Å; G76-V79 PolarHBondContact O-N 3.18Å; G76-F80 WeakPolarHBondContact O-CD2 3.39Å; G76-F80 WeakPolarHBondContact O-CG 3.46Å; G76-F80 PolarHBondContact O-N 3.13Å |
| 77 | G | 81.8 | Confident | 81.8 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.3 | -39 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | S73 C74 F75 L81 | S73-G77 PolarHBondContact O-N 3.17Å; C74-G77 PolarHBondContact O-N 2.94Å; F75-G77 VanDerWaalsContact C-N 3.33Å; F75-G77 PolarHBondContact O-N 2.53Å; G77-L81 PolarHBondContact O-N 3.21Å |
| 78 | G | 86.2 | Confident | 82.2 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.1 | -44.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | C74 F75 G76 L81 G82 F329 L333 | C74-G78 PolarHBondContact O-N 3Å; F75-G78 WeakPolarHBondContact O-CA 3.24Å; F75-G78 PolarHBondContact O-N 3.24Å; F75-G78 VanDerWaalsContact O-N 3.1Å; G76-G78 VanDerWaalsContact C-N 3.28Å; G76-G78 PolarHBondContact O-N 3.32Å; G78-L81 PolarHBondContact O-N 2.7Å; G78-G82 PolarHBondContact O-N 2.87Å; G78-F329 VanDerWaalsContact CA-CD2 3.48Å; G78-F329 VanDerWaalsContact CA-O 3.25Å; G78-F329 WeakPolarHBondContact CA-O 3.45Å; G78-F329 VanDerWaalsContact N-CD2 3.26Å; G78-L333 WeakPolarHBondContact O-CA 3.43Å; G78-L333 PolarHBondContact O-N 2.83Å |
| 79 | V | 84.2 | Confident | 82.6 | Confident | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.012 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.8 | -46.6 | 174.2 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | F75 G76 L81 G82 T83 L236 I336 | F75-V79 HydrophobicContact CD1-CG2 4.07Å; F75-V79 HydrophobicContact CE1-CG2 3.64Å; F75-V79 HydrophobicContact CZ-CG2 3.95Å; F75-V79 WeakPolarHBondContact O-CG2 3.39Å; F75-V79 PolarHBondContact O-N 2.99Å; G76-V79 PolarHBondContact O-N 3.18Å; V79-L81 PolarHBondContact O-N 2.88Å; V79-G82 CarbonylContact O-C 3.51Å; V79-G82 PolarHBondContact O-N 3.32Å; V79-T83 PolarHBondContact O-N 3.27Å; V79-T83 PolarHBondContact O-OG1 3.39Å; V79-T83 VanDerWaalsContact O-OG1 3.06Å; V79-L236 HydrophobicContact CB-CD1 4.27Å; V79-L236 HydrophobicContact CG1-CD1 3.79Å; V79-L236 HydrophobicContact CG2-CD1 4.34Å; V79-I336 HydrophobicContact CB-CG1 4.45Å; V79-I336 HydrophobicContact CG1-CD1 3.95Å; V79-I336 HydrophobicContact CG1-CG1 3.87Å |
| 80 | F | 83.3 | Confident | 83.1 | Confident | 7 Ų | 7 | 25.2 Ų | 25.2 | 3% | 0.031 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.9 | -39.6 | 178.8 | -69.8 | -48.2 | 0 | 0 | 0 | 113.5 | G76 G82 T83 S84 H233 L236 V237 F301 V305 I309 | G76-F80 WeakPolarHBondContact O-CD2 3.39Å; G76-F80 WeakPolarHBondContact O-CG 3.46Å; G76-F80 PolarHBondContact O-N 3.13Å; F80-G82 VanDerWaalsContact C-N 3.3Å; F80-T83 PolarHBondContact O-N 2.79Å; F80-S84 WeakPolarHBondContact O-CB 3.37Å; F80-S84 PolarHBondContact O-N 3.42Å; F80-S84 PolarHBondContact O-OG 2.84Å; F80-H233 HydrophobicContact CE1-CB 4.31Å; F80-L236 HydrophobicContact CZ-CB 4.04Å; F80-V237 HydrophobicContact CD1-CG2 4.16Å; F80-V237 HydrophobicContact CE1-CB 4.3Å; F80-V237 HydrophobicContact CE1-CG2 3.13Å; F80-V237 HydrophobicContact CE2-CG2 4.34Å; F80-V237 HydrophobicContact CZ-CB 3.99Å; F80-V237 HydrophobicContact CZ-CG2 3.25Å; F80-F301 HydrophobicContact CD1-CE1 4.43Å; F80-F301 HydrophobicContact CD1-CZ 4.49Å; F80-V305 HydrophobicContact CB-CG2 3.25Å; F80-V305 HydrophobicContact CD2-CG2 4.4Å; F80-V305 HydrophobicContact CG-CG2 4.17Å; F80-I309 HydrophobicContact CD2-CD1 3.92Å; F80-I309 HydrophobicContact CE2-CD1 4.13Å |
| 81 | L | 87.5 | Confident | 83.1 | Confident | 37 Ų | 37 | 26.9 Ų | 26.9 | 19% | 0.194 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.2 | -40.3 | 173.8 | -170.5 | 65.2 | 0 | 0 | 0 | 110.9 | G77 G78 V79 S84 L85 V305 F329 | G77-L81 PolarHBondContact O-N 3.21Å; G78-L81 PolarHBondContact O-N 2.7Å; V79-L81 PolarHBondContact O-N 2.88Å; L81-S84 WeakPolarHBondContact CA-OG 3.49Å; L81-S84 PolarHBondContact O-OG 2.79Å; L81-L85 HydrophobicContact CD1-CD1 3.81Å; L81-L85 HydrophobicContact CD1-CG 4.26Å; L81-L85 HydrophobicContact CG-CD1 4.06Å; L81-L85 PolarHBondContact O-N 2.93Å; L81-L85 VanDerWaalsContact O-N 3.11Å; L81-V305 HydrophobicContact CB-CG1 4.38Å; L81-F329 HydrophobicContact CB-CZ 4.44Å; L81-F329 HydrophobicContact CD2-CE1 4.38Å; L81-F329 HydrophobicContact CD2-CE2 4.4Å; L81-F329 HydrophobicContact CD2-CZ 3.58Å |
| 82 | G | 84.9 | Confident | 83.3 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.8 | -47.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | G78 V79 F80 L86 | G78-G82 PolarHBondContact O-N 2.87Å; V79-G82 CarbonylContact O-C 3.51Å; V79-G82 PolarHBondContact O-N 3.32Å; F80-G82 VanDerWaalsContact C-N 3.3Å; G82-L86 WeakPolarHBondContact O-CA 3.49Å; G82-L86 WeakPolarHBondContact O-CB 3.3Å; G82-L86 PolarHBondContact O-N 2.91Å |
| 83 | T | 82.7 | Confident | 83.6 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.012 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -64.4 | -42.4 | 179.2 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | V79 F80 D87 L88 H233 | V79-T83 PolarHBondContact O-N 3.27Å; V79-T83 PolarHBondContact O-OG1 3.39Å; V79-T83 VanDerWaalsContact O-OG1 3.06Å; F80-T83 PolarHBondContact O-N 2.79Å; T83-D87 HydrophobicContact CG2-CB 4.32Å; T83-D87 VanDerWaalsContact O-CB 3.27Å; T83-D87 WeakPolarHBondContact O-CB 3.29Å; T83-D87 PolarHBondContact O-N 2.82Å; T83-L88 HydrophobicContact CG2-CD1 4.31Å; T83-L88 HydrophobicContact CG2-CG 4.3Å; T83-L88 PolarHBondContact O-N 2.91Å; T83-H233 HydrophobicContact CG2-CB 4.47Å |
| 84 | S | 85.7 | Confident | 83.7 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -64.2 | -46.7 | 178.5 | 52.8 | 0 | 0 | 0 | 0 | 112.6 | F80 L81 L89 C298 | F80-S84 WeakPolarHBondContact O-CB 3.37Å; F80-S84 PolarHBondContact O-N 3.42Å; F80-S84 PolarHBondContact O-OG 2.84Å; L81-S84 WeakPolarHBondContact CA-OG 3.49Å; L81-S84 PolarHBondContact O-OG 2.79Å; S84-L89 WeakPolarHBondContact O-CB 3.34Å; S84-L89 PolarHBondContact O-N 3.49Å; S84-L89 VanDerWaalsContact O-N 3.11Å; S84-C298 PolarHBondContact O-SG 3Å |
| 85 | L | 88.1 | Confident | 83.5 | Confident | 76 Ų | 76 | 33.9 Ų | 33.9 | 40% | 0.398 | 17% | 0.168 | S | C | . | . | I | π-helix | trans | -86.6 | -34.6 | -174 | -65.5 | 179.1 | 0 | 0 | 0 | 114.6 | L81 L89 P90 L302 | L81-L85 HydrophobicContact CD1-CD1 3.81Å; L81-L85 HydrophobicContact CD1-CG 4.26Å; L81-L85 HydrophobicContact CG-CD1 4.06Å; L81-L85 PolarHBondContact O-N 2.93Å; L81-L85 VanDerWaalsContact O-N 3.11Å; L85-L89 HydrophobicContact CD2-CD2 4.44Å; L85-P90 WeakPolarHBondContact O-CD 3.36Å; L85-L302 HydrophobicContact CD2-CD1 4.39Å |
| 86 | L | 84.1 | Confident | 83.4 | Confident | 80 Ų | 80 | 31.7 Ų | 31.7 | 42% | 0.419 | 16% | 0.158 | S | C | . | . | I | π-helix | trans | -99.8 | -22 | -172.5 | -55.4 | 176 | 0 | 0 | 0 | 113.9 | G82 A337 L340 | G82-L86 WeakPolarHBondContact O-CA 3.49Å; G82-L86 WeakPolarHBondContact O-CB 3.3Å; G82-L86 PolarHBondContact O-N 2.91Å; L86-A337 HydrophobicContact CD1-CB 3.83Å; L86-L340 HydrophobicContact CB-CD1 3.68Å; L86-L340 WeakPolarHBondContact O-CD1 3.26Å |
| 87 | D | 80.1 | Confident | 83.4 | Confident | 21 Ų | 21 | 35.5 Ų | 35.5 | 11% | 0.112 | 18% | 0.177 | C | C | . | . | I | π-helix | trans | -110.8 | -65.5 | -177.3 | -164.7 | 34.6 | 0 | 0 | 0 | 110.3 | T83 P90 D91 L340 | T83-D87 HydrophobicContact CG2-CB 4.32Å; T83-D87 VanDerWaalsContact O-CB 3.27Å; T83-D87 WeakPolarHBondContact O-CB 3.29Å; T83-D87 PolarHBondContact O-N 2.82Å; D87-P90 WeakPolarHBondContact O-CD 3.2Å; D87-D91 WeakPolarHBondContact O-CB 3.41Å; D87-D91 VanDerWaalsContact O-CG 3.26Å; D87-D91 PolarHBondContact O-N 3.39Å; D87-L340 HydrophobicContact CB-CD1 4.02Å; D87-L340 HydrophobicContact CB-CD2 4.23Å; D87-L340 VanDerWaalsContact OD1-CD2 3.29Å; D87-L340 WeakPolarHBondContact OD1-CD2 3.01Å |
| 88 | L | 83.1 | Confident | 83.1 | Confident | 14 Ų | 14 | 40.9 Ų | 40.9 | 7% | 0.073 | 20% | 0.202 | C | C | . | . | I | π-helix | trans | -69.9 | -41.2 | -171 | -67.5 | 173.9 | 0 | 0 | 0 | 114.1 | T83 T92 Q294 C298 F301 | T83-L88 HydrophobicContact CG2-CD1 4.31Å; T83-L88 HydrophobicContact CG2-CG 4.3Å; T83-L88 PolarHBondContact O-N 2.91Å; L88-T92 VanDerWaalsContact O-CB 3.28Å; L88-T92 WeakPolarHBondContact O-CB 3.45Å; L88-T92 PolarHBondContact O-N 2.91Å; L88-T92 PolarHBondContact O-OG1 2.85Å; L88-Q294 HydrophobicContact CD2-CG 4Å; L88-C298 HydrophobicContact CB-CB 4.03Å; L88-C298 HydrophobicContact CD1-CB 4.48Å; L88-F301 HydrophobicContact CD1-CD2 3.64Å; L88-F301 HydrophobicContact CD1-CE2 3.94Å |
| 89 | L | 86.9 | Confident | 82.5 | Confident | 33 Ų | 33 | 41.3 Ų | 41.3 | 17% | 0.173 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.3 | -45.9 | -177.4 | -177.5 | 69.7 | 0 | 0 | 0 | 112.6 | S84 L85 T92 R93 T117 | S84-L89 WeakPolarHBondContact O-CB 3.34Å; S84-L89 PolarHBondContact O-N 3.49Å; S84-L89 VanDerWaalsContact O-N 3.11Å; L85-L89 HydrophobicContact CD2-CD2 4.44Å; L89-T92 PolarHBondContact O-N 2.74Å; L89-R93 PolarHBondContact O-N 2.81Å; L89-T117 WeakPolarHBondContact CD1-OG1 3.21Å |
| 90 | P | 84 | Confident | 81.9 | Confident | 59 Ų | 59 | 42.2 Ų | 42.2 | 38% | 0.383 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -57.8 | -45.4 | 171.9 | -27.2 | 36.8 | 0 | 0 | 0 | 113.1 | L85 D87 R93 E94 | L85-P90 WeakPolarHBondContact O-CD 3.36Å; D87-P90 WeakPolarHBondContact O-CD 3.2Å; P90-R93 WeakPolarHBondContact O-CB 3.35Å; P90-R93 PolarHBondContact O-N 2.66Å; P90-R93 VanDerWaalsContact O-N 3.15Å; P90-E94 PolarHBondContact O-N 2.8Å |
| 91 | D | 77.9 | Confident | 81.1 | Confident | 48 Ų | 48 | 46.8 Ų | 46.8 | 26% | 0.257 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.1 | -45.2 | 178.9 | -75.3 | -1.9 | 0 | 0 | 0 | 111.8 | D87 R93 E94 E95 Q294 | D87-D91 WeakPolarHBondContact O-CB 3.41Å; D87-D91 VanDerWaalsContact O-CG 3.26Å; D87-D91 PolarHBondContact O-N 3.39Å; D91-R93 VanDerWaalsContact C-N 3.25Å; D91-R93 PolarHBondContact O-N 2.89Å; D91-E94 PolarHBondContact O-N 3.36Å; D91-E94 VanDerWaalsContact O-N 3.13Å; D91-E95 PolarHBondContact O-N 2.69Å; D91-Q294 VanDerWaalsContact CB-NE2 3.28Å |
| 92 | T | 85.1 | Confident | 79.8 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.8 | -42.7 | 174.2 | -61.3 | 0 | 0 | 0 | 0 | 111.2 | L88 L89 L96 A113 G291 G295 | L88-T92 VanDerWaalsContact O-CB 3.28Å; L88-T92 WeakPolarHBondContact O-CB 3.45Å; L88-T92 PolarHBondContact O-N 2.91Å; L88-T92 PolarHBondContact O-OG1 2.85Å; L89-T92 PolarHBondContact O-N 2.74Å; T92-L96 HydrophobicContact CG2-CD1 3.86Å; T92-L96 WeakPolarHBondContact O-CB 3.37Å; T92-L96 WeakPolarHBondContact O-CG 3.34Å; T92-L96 PolarHBondContact O-N 3.33Å; T92-L96 VanDerWaalsContact O-N 3.1Å; T92-A113 HydrophobicContact CG2-CB 3.71Å; T92-G291 WeakPolarHBondContact CG2-O 3.36Å; T92-G295 PolarHBondContact OG1-N 3.29Å |
| 93 | R | 84.8 | Confident | 78.5 | Confident | 124 Ų | 124 | 51.2 Ų | 51.2 | 47% | 0.468 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66 | -42 | 178.3 | -166.7 | -169.9 | -83 | 166.2 | -6.7 | 111.1 | L89 P90 D91 L97 A113 E114 | L89-R93 PolarHBondContact O-N 2.81Å; P90-R93 WeakPolarHBondContact O-CB 3.35Å; P90-R93 PolarHBondContact O-N 2.66Å; P90-R93 VanDerWaalsContact O-N 3.15Å; D91-R93 VanDerWaalsContact C-N 3.25Å; D91-R93 PolarHBondContact O-N 2.89Å; R93-L97 HydrophobicContact CG-CD1 3.87Å; R93-L97 HydrophobicContact CG-CG 4.37Å; R93-L97 VanDerWaalsContact O-CB 3.26Å; R93-L97 WeakPolarHBondContact O-CB 3.36Å; R93-L97 WeakPolarHBondContact O-CD1 3.41Å; R93-L97 WeakPolarHBondContact O-CG 3.36Å; R93-L97 PolarHBondContact O-N 2.68Å; R93-A113 HydrophobicContact CB-CB 3.82Å; R93-A113 HydrophobicContact CG-CB 4.21Å; R93-E114 IonicContact CZ-OE1 2.78Å; R93-E114 VanDerWaalsContact CZ-OE1 3.23Å; R93-E114 IonicContact NE-OE1 3.01Å; R93-E114 PolarHBondContact NE-OE1 2.77Å; R93-E114 IonicContact NH2-OE1 3.24Å; R93-E114 PolarHBondContact NH2-OE1 3.01Å |
| 94 | E | 81.3 | Confident | 77 | Confident | 122 Ų | 122 | 57.6 Ų | 57.6 | 57% | 0.57 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63.4 | -49.9 | 177.1 | -167.7 | 168.3 | -171.7 | 0 | 0 | 111.5 | P90 D91 L96 L97 E98 | P90-E94 PolarHBondContact O-N 2.8Å; D91-E94 PolarHBondContact O-N 3.36Å; D91-E94 VanDerWaalsContact O-N 3.13Å; E94-L96 PolarHBondContact O-N 3.31Å; E94-L97 PolarHBondContact O-N 2.94Å; E94-E98 WeakPolarHBondContact O-CG 3.45Å; E94-E98 PolarHBondContact O-N 2.86Å |
| 95 | E | 78.2 | Confident | 75.4 | Confident | 31 Ų | 31 | 66.3 Ų | 66.3 | 15% | 0.145 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.9 | -40.8 | -178.9 | -68.4 | -161.3 | 158.7 | 0 | 0 | 113.3 | D91 A99 T290 G291 | D91-E95 PolarHBondContact O-N 2.69Å; E95-A99 PolarHBondContact O-N 3.49Å; E95-T290 VanDerWaalsContact OE2-C 3.23Å; E95-T290 WeakPolarHBondContact OE2-CB 3.37Å; E95-T290 WeakPolarHBondContact OE2-CG2 3.18Å; E95-G291 VanDerWaalsContact OE2-CA 3.26Å; E95-G291 WeakPolarHBondContact OE2-CA 3.44Å; E95-G291 PolarHBondContact OE2-N 3.18Å |
| 96 | L | 83.3 | Confident | 73.8 | Confident | 3 Ų | 3 | 68.6 Ų | 68.6 | 2% | 0.016 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -73.9 | -33 | 178.7 | -74.4 | 169.6 | 0 | 0 | 0 | 112.8 | T92 E94 A99 A100 L112 A113 F116 F288 | T92-L96 HydrophobicContact CG2-CD1 3.86Å; T92-L96 WeakPolarHBondContact O-CB 3.37Å; T92-L96 WeakPolarHBondContact O-CG 3.34Å; T92-L96 PolarHBondContact O-N 3.33Å; T92-L96 VanDerWaalsContact O-N 3.1Å; E94-L96 PolarHBondContact O-N 3.31Å; L96-A99 PolarHBondContact O-N 3.06Å; L96-A100 VanDerWaalsContact O-CB 3.29Å; L96-A100 WeakPolarHBondContact O-CB 3.32Å; L96-A100 PolarHBondContact O-N 3.5Å; L96-L112 HydrophobicContact CD1-CB 4.21Å; L96-A113 HydrophobicContact CD1-CB 4.13Å; L96-F116 HydrophobicContact CD1-CD2 3.64Å; L96-F116 HydrophobicContact CD1-CE2 4.18Å; L96-F116 HydrophobicContact CD2-CD2 4.35Å; L96-F116 HydrophobicContact CD2-CE2 4.11Å; L96-F288 HydrophobicContact CD2-CD2 4Å; L96-F288 HydrophobicContact CD2-CE2 4.06Å |
| 97 | L | 78.9 | Confident | 72.7 | Confident | 87 Ų | 87 | 70.9 Ų | 70.9 | 46% | 0.455 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67.3 | -41.9 | 173.1 | -75.3 | 172.8 | 0 | 0 | 0 | 111.2 | R93 E94 A99 A100 D101 | R93-L97 HydrophobicContact CG-CD1 3.87Å; R93-L97 HydrophobicContact CG-CG 4.37Å; R93-L97 VanDerWaalsContact O-CB 3.26Å; R93-L97 WeakPolarHBondContact O-CB 3.36Å; R93-L97 WeakPolarHBondContact O-CD1 3.41Å; R93-L97 WeakPolarHBondContact O-CG 3.36Å; R93-L97 PolarHBondContact O-N 2.68Å; E94-L97 PolarHBondContact O-N 2.94Å; L97-A99 VanDerWaalsContact C-N 3.3Å; L97-A99 PolarHBondContact O-N 3.45Å; L97-A100 PolarHBondContact O-N 3.23Å; L97-D101 PolarHBondContact O-N 3.33Å |
| 98 | E | 74.2 | Confident | 71.7 | Confident | 112 Ų | 112 | 78.2 Ų | 78.2 | 52% | 0.523 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.8 | -38.3 | 174.1 | -73.3 | -165.5 | 156.3 | 0 | 0 | 112 | E94 | E94-E98 WeakPolarHBondContact O-CG 3.45Å; E94-E98 PolarHBondContact O-N 2.86Å |
| 99 | A | 74.9 | Confident | 70.9 | Confident | 9 Ų | 9 | 85.2 Ų | 85.2 | 7% | 0.074 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -67 | -41.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E95 L96 L97 S102 F288 | E95-A99 PolarHBondContact O-N 3.49Å; L96-A99 PolarHBondContact O-N 3.06Å; L97-A99 VanDerWaalsContact C-N 3.3Å; L97-A99 PolarHBondContact O-N 3.45Å; A99-S102 PolarHBondContact O-N 2.76Å; A99-S102 PolarHBondContact O-OG 2.89Å; A99-F288 HydrophobicContact CB-CB 3.93Å; A99-F288 HydrophobicContact CB-CD2 4.02Å; A99-F288 HydrophobicContact CB-CG 4.5Å |
| 100 | A | 71 | Confident | 70.5 | Confident | 21 Ų | 21 | 88.5 Ų | 88.5 | 17% | 0.174 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -67.8 | -44.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L96 L97 S102 S103 | L96-A100 VanDerWaalsContact O-CB 3.29Å; L96-A100 WeakPolarHBondContact O-CB 3.32Å; L96-A100 PolarHBondContact O-N 3.5Å; L97-A100 PolarHBondContact O-N 3.23Å; A100-S102 PolarHBondContact O-N 3.34Å; A100-S103 PolarHBondContact O-N 3.45Å; A100-S103 VanDerWaalsContact O-N 3.17Å; A100-S103 PolarHBondContact O-OG 2.74Å |
| 101 | D | 66.4 | Low | 70.5 | Confident | 103 Ų | 103 | 88.9 Ų | 88.9 | 55% | 0.551 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -62.7 | -17.5 | -178.6 | -88.5 | -14.3 | 0 | 0 | 0 | 113.4 | L97 R108 | L97-D101 PolarHBondContact O-N 3.33Å; D101-R108 IonicContact OD1-CZ 2.89Å; D101-R108 IonicContact OD1-NE 3.83Å; D101-R108 PolarHBondContact OD1-NE 3.35Å; D101-R108 IonicContact OD1-NH2 3.87Å; D101-R108 PolarHBondContact OD1-NH2 2.86Å; D101-R108 IonicContact OD2-NH2 3.2Å |
| 102 | S | 61.2 | Low | 70.9 | Confident | 72 Ų | 72 | 88.3 Ų | 88.3 | 50% | 0.503 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -3.3 | -178.7 | 68.8 | 0 | 0 | 0 | 0 | 114.9 | A99 A100 | A99-S102 PolarHBondContact O-N 2.76Å; A99-S102 PolarHBondContact O-OG 2.89Å; A100-S102 PolarHBondContact O-N 3.34Å |
| 103 | S | 56.2 | Low | 71 | Confident | 59 Ų | 59 | 88.4 Ų | 88.4 | 41% | 0.413 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -115.5 | 128.6 | 177.1 | 70.5 | 0 | 0 | 0 | 0 | 110.3 | A100 Y105 | A100-S103 PolarHBondContact O-N 3.45Å; A100-S103 VanDerWaalsContact O-N 3.17Å; A100-S103 PolarHBondContact O-OG 2.74Å; S103-Y105 PolarHBondContact O-N 2.8Å |
| 104 | S | 51.8 | Low | 71.3 | Confident | 135 Ų | 135 | 85.2 Ų | 85.2 | 94% | 0.944 | 45% | 0.447 | S | S | * | . | trans | -70.4 | 26.9 | -176 | -64.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 105 | Y | 52.6 | Low | 71.8 | Confident | 183 Ų | 183 | 83.7 Ų | 83.7 | 72% | 0.718 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -102.2 | 140.5 | 178.8 | -71.9 | -76.2 | 0 | 0 | 0 | 111.8 | S103 F107 | S103-Y105 PolarHBondContact O-N 2.8Å; Y105-F107 PolarHBondContact O-N 3.22Å |
| 106 | S | 54.6 | Low | 72.4 | Confident | 125 Ų | 125 | 83.7 Ų | 83.7 | 87% | 0.874 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -74.3 | 35.7 | -167.5 | -160.4 | 0 | 0 | 0 | 0 | 115.4 | R108 | S106-R108 VanDerWaalsContact C-N 3.33Å; S106-R108 PolarHBondContact O-N 3.07Å |
| 107 | F | 60.7 | Low | 72.8 | Confident | 127 Ų | 127 | 84.2 Ų | 84.2 | 56% | 0.557 | 44% | 0.442 | S | S | * | . | trans | -90.8 | 9.8 | -178.1 | -64.1 | -70 | 0 | 0 | 0 | 114.4 | Y105 N109 F110 | Y105-F107 PolarHBondContact O-N 3.22Å; F107-N109 PolarHBondContact O-N 3.42Å; F107-F110 PolarHBondContact O-N 3.45Å | ||
| 108 | R | 58.3 | Low | 73.4 | Confident | 176 Ų | 176 | 82.5 Ų | 82.5 | 66% | 0.664 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -22.7 | -172.4 | -147.5 | 177.8 | -162 | -157.6 | -0.7 | 115 | D101 S106 | D101-R108 IonicContact OD1-CZ 2.89Å; D101-R108 IonicContact OD1-NE 3.83Å; D101-R108 PolarHBondContact OD1-NE 3.35Å; D101-R108 IonicContact OD1-NH2 3.87Å; D101-R108 PolarHBondContact OD1-NH2 2.86Å; D101-R108 IonicContact OD2-NH2 3.2Å; S106-R108 VanDerWaalsContact C-N 3.33Å; S106-R108 PolarHBondContact O-N 3.07Å |
| 109 | N | 67 | Low | 74.3 | Confident | 161 Ų | 161 | 80.2 Ų | 80.2 | 86% | 0.861 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -3.3 | -178.7 | -64.4 | -12.9 | 0 | 0 | 0 | 113.5 | F107 | F107-N109 PolarHBondContact O-N 3.42Š|
| 110 | F | 78.7 | Confident | 74.9 | Confident | 101 Ų | 101 | 79.8 Ų | 79.8 | 44% | 0.443 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -95.3 | 130.2 | -178.8 | -171.8 | -101.9 | 0 | 0 | 0 | 110.4 | F107 L112 F115 | F107-F110 PolarHBondContact O-N 3.45Å; F110-L112 VanDerWaalsContact C-N 3.26Å; F110-L112 HydrophobicContact CD1-CD2 3.79Å; F110-L112 HydrophobicContact CD1-CG 4.12Å; F110-L112 HydrophobicContact CE1-CD2 4.3Å; F110-L112 PolarHBondContact O-N 3.03Å; F110-F115 HydrophobicContact CE1-CB 3.62Å; F110-F115 HydrophobicContact CE1-CD1 4.13Å; F110-F115 AromaticContact CE1-CD2 3.95Å; F110-F115 HydrophobicContact CE1-CD2 3.95Å; F110-F115 AromaticContact CE1-CG 3.64Å; F110-F115 HydrophobicContact CE1-CG 3.64Å; F110-F115 HydrophobicContact CZ-CB 4.1Å; F110-F115 AromaticContact CZ-CD2 3.82Å; F110-F115 HydrophobicContact CZ-CD2 3.82Å; F110-F115 HydrophobicContact CZ-CE2 4.44Å; F110-F115 HydrophobicContact CZ-CG 4Å |
| 111 | P | 84.3 | Confident | 75.8 | Confident | 68 Ų | 68 | 81.1 Ų | 81.1 | 44% | 0.442 | 43% | 0.43 | S | S | . | . | trans | -73.2 | 76.3 | -179.2 | 31.1 | -35.7 | 0 | 0 | 0 | 111.2 | A113 E114 F115 | P111-A113 VanDerWaalsContact C-N 3.3Å; P111-A113 PolarHBondContact O-N 3.37Å; P111-E114 WeakPolarHBondContact CA-OE2 3.47Å; P111-E114 HydrophobicContact CB-CB 4.17Å; P111-E114 HydrophobicContact CB-CG 4.27Å; P111-E114 WeakPolarHBondContact CB-OE2 3.3Å; P111-E114 PolarHBondContact O-N 3.03Å; P111-F115 WeakPolarHBondContact O-CB 3.38Å; P111-F115 PolarHBondContact O-N 3.31Å | ||
| 112 | L | 85.8 | Confident | 76.9 | Confident | 36 Ų | 36 | 79 Ų | 79 | 19% | 0.188 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -60.5 | -37.3 | -174.9 | -75.4 | 169.7 | 0 | 0 | 0 | 112.6 | L96 F110 F115 F116 | L96-L112 HydrophobicContact CD1-CB 4.21Å; F110-L112 VanDerWaalsContact C-N 3.26Å; F110-L112 HydrophobicContact CD1-CD2 3.79Å; F110-L112 HydrophobicContact CD1-CG 4.12Å; F110-L112 HydrophobicContact CE1-CD2 4.3Å; F110-L112 PolarHBondContact O-N 3.03Å; L112-F115 WeakPolarHBondContact O-CB 3.22Å; L112-F115 PolarHBondContact O-N 3.4Å; L112-F116 WeakPolarHBondContact O-CD2 3.42Å; L112-F116 PolarHBondContact O-N 3.31Å |
| 113 | A | 87.4 | Confident | 78.1 | Confident | 2 Ų | 2 | 79.6 Ų | 79.6 | 2% | 0.017 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -64.9 | -50 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T92 R93 L96 P111 F115 F116 T117 | T92-A113 HydrophobicContact CG2-CB 3.71Å; R93-A113 HydrophobicContact CB-CB 3.82Å; R93-A113 HydrophobicContact CG-CB 4.21Å; L96-A113 HydrophobicContact CD1-CB 4.13Å; P111-A113 VanDerWaalsContact C-N 3.3Å; P111-A113 PolarHBondContact O-N 3.37Å; A113-F115 VanDerWaalsContact C-N 3.25Å; A113-F115 PolarHBondContact O-N 3.19Å; A113-F116 PolarHBondContact O-N 3.19Å; A113-T117 PolarHBondContact O-N 3Å; A113-T117 PolarHBondContact O-OG1 2.91Å; A113-T117 VanDerWaalsContact O-OG1 3.05Å |
| 114 | E | 91.1 | Very high | 79.4 | Confident | 56 Ų | 56 | 76.8 Ų | 76.8 | 26% | 0.262 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.6 | -35 | 177.5 | -61.2 | 78.6 | 176.7 | 0 | 0 | 111.1 | R93 P111 T117 A118 | R93-E114 IonicContact CZ-OE1 2.78Å; R93-E114 VanDerWaalsContact CZ-OE1 3.23Å; R93-E114 IonicContact NE-OE1 3.01Å; R93-E114 PolarHBondContact NE-OE1 2.77Å; R93-E114 IonicContact NH2-OE1 3.24Å; R93-E114 PolarHBondContact NH2-OE1 3.01Å; P111-E114 WeakPolarHBondContact CA-OE2 3.47Å; P111-E114 HydrophobicContact CB-CB 4.17Å; P111-E114 HydrophobicContact CB-CG 4.27Å; P111-E114 WeakPolarHBondContact CB-OE2 3.3Å; P111-E114 PolarHBondContact O-N 3.03Å; E114-T117 PolarHBondContact O-N 2.84Å; E114-A118 WeakPolarHBondContact O-CB 3.41Å; E114-A118 PolarHBondContact O-N 2.88Å |
| 115 | F | 91 | Very high | 81 | Confident | 91 Ų | 91 | 73.2 Ų | 73.2 | 40% | 0.399 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.9 | -48.6 | 173.8 | 176.4 | -107.4 | 0 | 0 | 0 | 112.1 | F110 P111 L112 A113 T117 A118 I119 | F110-F115 HydrophobicContact CE1-CB 3.62Å; F110-F115 HydrophobicContact CE1-CD1 4.13Å; F110-F115 AromaticContact CE1-CD2 3.95Å; F110-F115 HydrophobicContact CE1-CD2 3.95Å; F110-F115 AromaticContact CE1-CG 3.64Å; F110-F115 HydrophobicContact CE1-CG 3.64Å; F110-F115 HydrophobicContact CZ-CB 4.1Å; F110-F115 AromaticContact CZ-CD2 3.82Å; F110-F115 HydrophobicContact CZ-CD2 3.82Å; F110-F115 HydrophobicContact CZ-CE2 4.44Å; F110-F115 HydrophobicContact CZ-CG 4Å; P111-F115 WeakPolarHBondContact O-CB 3.38Å; P111-F115 PolarHBondContact O-N 3.31Å; L112-F115 WeakPolarHBondContact O-CB 3.22Å; L112-F115 PolarHBondContact O-N 3.4Å; A113-F115 VanDerWaalsContact C-N 3.25Å; A113-F115 PolarHBondContact O-N 3.19Å; F115-T117 VanDerWaalsContact C-N 3.32Å; F115-T117 PolarHBondContact O-N 3.43Å; F115-A118 PolarHBondContact O-N 2.83Å; F115-I119 HydrophobicContact CD1-CD1 3.71Å; F115-I119 HydrophobicContact CE1-CD1 3.26Å; F115-I119 HydrophobicContact CE1-CG1 4.36Å; F115-I119 HydrophobicContact CE2-CD1 4.15Å; F115-I119 HydrophobicContact CE2-CG1 4.48Å; F115-I119 HydrophobicContact CG-CD1 4.33Å; F115-I119 HydrophobicContact CZ-CD1 3.52Å; F115-I119 HydrophobicContact CZ-CG1 4.28Å; F115-I119 WeakPolarHBondContact O-CG1 3.33Å; F115-I119 PolarHBondContact O-N 2.75Å |
| 116 | F | 91.4 | Very high | 82.6 | Confident | 30 Ų | 30 | 67.6 Ų | 67.6 | 13% | 0.132 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.4 | -33.3 | 176.3 | -75.8 | -65.8 | 0 | 0 | 0 | 112.5 | L96 L112 A113 I119 G120 F288 S292 I296 | L96-F116 HydrophobicContact CD1-CD2 3.64Å; L96-F116 HydrophobicContact CD1-CE2 4.18Å; L96-F116 HydrophobicContact CD2-CD2 4.35Å; L96-F116 HydrophobicContact CD2-CE2 4.11Å; L112-F116 WeakPolarHBondContact O-CD2 3.42Å; L112-F116 PolarHBondContact O-N 3.31Å; A113-F116 PolarHBondContact O-N 3.19Å; F116-I119 HydrophobicContact CD1-CD1 4.04Å; F116-I119 HydrophobicContact CE1-CD1 4.41Å; F116-I119 PolarHBondContact O-N 3.11Å; F116-G120 PolarHBondContact O-N 3.5Å; F116-F288 HydrophobicContact CE2-CZ 4.44Å; F116-F288 HydrophobicContact CZ-CZ 4.24Å; F116-S292 WeakPolarHBondContact CE2-OG 3.44Å; F116-S292 WeakPolarHBondContact CZ-OG 3.37Å; F116-I296 HydrophobicContact CB-CG1 4.44Å; F116-I296 HydrophobicContact CD1-CD1 4.37Å; F116-I296 HydrophobicContact CD1-CG1 4.3Å |
| 117 | T | 91.3 | Very high | 83.9 | Confident | 14 Ų | 14 | 63.4 Ų | 63.4 | 9% | 0.086 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 170.3 | -56.4 | 0 | 0 | 0 | 0 | 112.2 | L89 A113 E114 F115 I119 G120 F121 G295 C298 G299 | L89-T117 WeakPolarHBondContact CD1-OG1 3.21Å; A113-T117 PolarHBondContact O-N 3Å; A113-T117 PolarHBondContact O-OG1 2.91Å; A113-T117 VanDerWaalsContact O-OG1 3.05Å; E114-T117 PolarHBondContact O-N 2.84Å; F115-T117 VanDerWaalsContact C-N 3.32Å; F115-T117 PolarHBondContact O-N 3.43Å; T117-I119 VanDerWaalsContact C-N 3.32Å; T117-I119 PolarHBondContact O-N 3.21Å; T117-G120 PolarHBondContact O-N 3.29Å; T117-F121 PolarHBondContact O-N 3.02Å; T117-G295 VanDerWaalsContact CA-O 3.22Å; T117-G295 WeakPolarHBondContact CA-O 3.46Å; T117-G295 PolarHBondContact OG1-O 2.75Å; T117-C298 HydrophobicContact CG2-CB 4.39Å; T117-G299 WeakPolarHBondContact O-CA 3.42Å |
| 118 | A | 91.4 | Very high | 84.7 | Confident | 52 Ų | 52 | 59.6 Ų | 59.6 | 43% | 0.43 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.5 | -36.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E114 F115 S122 | E114-A118 WeakPolarHBondContact O-CB 3.41Å; E114-A118 PolarHBondContact O-N 2.88Å; F115-A118 PolarHBondContact O-N 2.83Å; A118-S122 VanDerWaalsContact O-CB 3.31Å; A118-S122 WeakPolarHBondContact O-CB 3.49Å; A118-S122 PolarHBondContact O-N 3.48Å; A118-S122 PolarHBondContact O-OG 2.76Å |
| 119 | I | 92.5 | Very high | 85.9 | Confident | 64 Ų | 64 | 56 Ų | 56 | 33% | 0.328 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.1 | -49.9 | 172.7 | -71.7 | 166.9 | 0 | 0 | 0 | 110.3 | F115 F116 T117 F121 S122 F123 I296 | F115-I119 HydrophobicContact CD1-CD1 3.71Å; F115-I119 HydrophobicContact CE1-CD1 3.26Å; F115-I119 HydrophobicContact CE1-CG1 4.36Å; F115-I119 HydrophobicContact CE2-CD1 4.15Å; F115-I119 HydrophobicContact CE2-CG1 4.48Å; F115-I119 HydrophobicContact CG-CD1 4.33Å; F115-I119 HydrophobicContact CZ-CD1 3.52Å; F115-I119 HydrophobicContact CZ-CG1 4.28Å; F115-I119 WeakPolarHBondContact O-CG1 3.33Å; F115-I119 PolarHBondContact O-N 2.75Å; F116-I119 HydrophobicContact CD1-CD1 4.04Å; F116-I119 HydrophobicContact CE1-CD1 4.41Å; F116-I119 PolarHBondContact O-N 3.11Å; T117-I119 VanDerWaalsContact C-N 3.32Å; T117-I119 PolarHBondContact O-N 3.21Å; I119-F121 VanDerWaalsContact C-N 3.33Å; I119-F121 PolarHBondContact O-N 3.28Å; I119-S122 PolarHBondContact O-N 3.23Å; I119-F123 WeakPolarHBondContact O-CB 3.48Å; I119-F123 PolarHBondContact O-N 2.99Å; I119-I296 HydrophobicContact CG2-CG1 4.43Å |
| 120 | G | 89 | Confident | 86.6 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.6 | -43.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F116 T117 F123 I124 I296 | F116-G120 PolarHBondContact O-N 3.5Å; T117-G120 PolarHBondContact O-N 3.29Å; G120-F123 PolarHBondContact O-N 2.84Å; G120-I124 PolarHBondContact O-N 3.21Å; G120-I296 WeakPolarHBondContact CA-O 3.37Å |
| 121 | F | 89.8 | Confident | 86.4 | Confident | 49 Ų | 49 | 50.8 Ų | 50.8 | 22% | 0.215 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.3 | -48.8 | 175.2 | 177.3 | -87.7 | 0 | 0 | 0 | 111.9 | T117 I119 F123 L125 G299 L302 Y303 F307 | T117-F121 PolarHBondContact O-N 3.02Å; I119-F121 VanDerWaalsContact C-N 3.33Å; I119-F121 PolarHBondContact O-N 3.28Å; F121-F123 VanDerWaalsContact C-N 3.31Å; F121-F123 PolarHBondContact O-N 3.05Å; F121-L125 HydrophobicContact CE1-CD1 4.26Å; F121-L125 PolarHBondContact O-N 2.92Å; F121-G299 WeakPolarHBondContact CA-O 3.48Å; F121-L302 HydrophobicContact CD2-CB 4.43Å; F121-L302 HydrophobicContact CD2-CD2 4.01Å; F121-L302 HydrophobicContact CE2-CD2 4.05Å; F121-Y303 HydrophobicContact CD2-CD2 4.11Å; F121-Y303 HydrophobicContact CD2-CG 4.5Å; F121-Y303 AromaticContact CE2-CD2 3.85Å; F121-Y303 HydrophobicContact CE2-CD2 3.85Å; F121-Y303 HydrophobicContact CE2-CG 4.48Å; F121-Y303 HydrophobicContact CZ-CD2 4.09Å; F121-F307 HydrophobicContact CE2-CD2 4.15Å; F121-F307 AromaticContact CE2-CE2 3.96Å; F121-F307 HydrophobicContact CE2-CE2 3.96Å; F121-F307 HydrophobicContact CZ-CD2 4.09Å; F121-F307 AromaticContact CZ-CE2 3.55Å; F121-F307 HydrophobicContact CZ-CE2 3.55Å; F121-F307 HydrophobicContact CZ-CZ 4.45Å |
| 122 | S | 88.7 | Confident | 85.9 | Confident | 57 Ų | 57 | 51 Ų | 51 | 40% | 0.399 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68.1 | -31.8 | -179.7 | -54.5 | 0 | 0 | 0 | 0 | 112.3 | A118 I119 L125 C126 | A118-S122 VanDerWaalsContact O-CB 3.31Å; A118-S122 WeakPolarHBondContact O-CB 3.49Å; A118-S122 PolarHBondContact O-N 3.48Å; A118-S122 PolarHBondContact O-OG 2.76Å; I119-S122 PolarHBondContact O-N 3.23Å; S122-L125 PolarHBondContact O-N 3.4Å; S122-C126 WeakPolarHBondContact O-CB 3.3Å; S122-C126 PolarHBondContact O-N 3.49Å; S122-C126 PolarHBondContact O-SG 3.47Å |
| 123 | F | 86.8 | Confident | 85.4 | Confident | 86 Ų | 86 | 54.5 Ų | 54.5 | 38% | 0.377 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.5 | -47.4 | -179.1 | 177.5 | -109.4 | 0 | 0 | 0 | 111.5 | I119 G120 F121 C126 I127 I205 | I119-F123 WeakPolarHBondContact O-CB 3.48Å; I119-F123 PolarHBondContact O-N 2.99Å; G120-F123 PolarHBondContact O-N 2.84Å; F121-F123 VanDerWaalsContact C-N 3.31Å; F121-F123 PolarHBondContact O-N 3.05Å; F123-C126 PolarHBondContact O-N 2.93Å; F123-I127 HydrophobicContact CD1-CD1 3.93Å; F123-I127 HydrophobicContact CE1-CD1 3.41Å; F123-I127 VanDerWaalsContact CE1-CD1 3.41Å; F123-I127 HydrophobicContact CE2-CD1 4.06Å; F123-I127 HydrophobicContact CG-CD1 4.45Å; F123-I127 HydrophobicContact CZ-CD1 3.5Å; F123-I127 HydrophobicContact CZ-CG1 4.44Å; F123-I127 WeakPolarHBondContact O-CG1 3.17Å; F123-I127 PolarHBondContact O-N 3.45Å; F123-I205 HydrophobicContact CE1-CG2 4.26Å |
| 124 | I | 84.2 | Confident | 84.7 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.3 | -41.6 | 177.2 | -59.8 | -56.3 | 0 | 0 | 0 | 110.9 | G120 C126 I127 E128 T202 T300 Y303 | G120-I124 PolarHBondContact O-N 3.21Å; I124-C126 VanDerWaalsContact C-N 3.3Å; I124-C126 PolarHBondContact O-N 2.89Å; I124-I127 HydrophobicContact CD1-CD1 4.41Å; I124-I127 PolarHBondContact O-N 2.92Å; I124-I127 VanDerWaalsContact O-N 3.15Å; I124-E128 PolarHBondContact O-N 3.44Å; I124-T202 HydrophobicContact CD1-CG2 4Å; I124-T202 HydrophobicContact CG1-CG2 4.17Å; I124-T202 HydrophobicContact CG2-CG2 3.52Å; I124-T300 HydrophobicContact CD1-CG2 3.9Å; I124-T300 HydrophobicContact CG1-CG2 3.47Å; I124-T300 VanDerWaalsContact CG1-CG2 3.47Å; I124-Y303 HydrophobicContact CB-CD1 4.01Å; I124-Y303 HydrophobicContact CB-CE1 4.44Å; I124-Y303 HydrophobicContact CB-CG 4.15Å; I124-Y303 HydrophobicContact CG2-CD1 3.32Å; I124-Y303 HydrophobicContact CG2-CE1 3.53Å; I124-Y303 HydrophobicContact CG2-CG 3.98Å |
| 125 | L | 84.6 | Confident | 83.6 | Confident | 59 Ų | 59 | 58.2 Ų | 58.2 | 31% | 0.309 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -55.8 | -46.6 | 174.4 | -172.3 | 152.7 | 0 | 0 | 0 | 111.1 | F121 S122 E128 Q129 Y303 | F121-L125 HydrophobicContact CE1-CD1 4.26Å; F121-L125 PolarHBondContact O-N 2.92Å; S122-L125 PolarHBondContact O-N 3.4Å; L125-E128 PolarHBondContact O-N 2.94Å; L125-Q129 HydrophobicContact CD2-CG 3.97Å; L125-Q129 VanDerWaalsContact O-CG 3.3Å; L125-Q129 WeakPolarHBondContact O-CG 3.43Å; L125-Q129 PolarHBondContact O-N 3.14Å; L125-Y303 HydrophobicContact CB-CD2 4.19Å; L125-Y303 HydrophobicContact CB-CE2 3.65Å; L125-Y303 HydrophobicContact CD1-CE2 4.15Å; L125-Y303 HydrophobicContact CG-CE2 4.1Å |
| 126 | C | 86.5 | Confident | 82.3 | Confident | 66 Ų | 66 | 60 Ų | 60 | 45% | 0.446 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 176.6 | -75.2 | 0 | 0 | 0 | 0 | 112.3 | S122 F123 I124 E128 Q129 L130 | S122-C126 WeakPolarHBondContact O-CB 3.3Å; S122-C126 PolarHBondContact O-N 3.49Å; S122-C126 PolarHBondContact O-SG 3.47Å; F123-C126 PolarHBondContact O-N 2.93Å; I124-C126 VanDerWaalsContact C-N 3.3Å; I124-C126 PolarHBondContact O-N 2.89Å; C126-E128 VanDerWaalsContact C-N 3.31Å; C126-E128 PolarHBondContact O-N 3.28Å; C126-Q129 PolarHBondContact O-N 3.38Å; C126-L130 WeakPolarHBondContact O-CB 3.25Å; C126-L130 WeakPolarHBondContact O-CG 3.23Å; C126-L130 PolarHBondContact O-N 3.17Å |
| 127 | I | 81 | Confident | 81.1 | Confident | 36 Ų | 36 | 61.2 Ų | 61.2 | 19% | 0.185 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.9 | -45.1 | 176.4 | -72.4 | 171.8 | 0 | 0 | 0 | 110.4 | F123 I124 L130 A131 I205 | F123-I127 HydrophobicContact CD1-CD1 3.93Å; F123-I127 HydrophobicContact CE1-CD1 3.41Å; F123-I127 VanDerWaalsContact CE1-CD1 3.41Å; F123-I127 HydrophobicContact CE2-CD1 4.06Å; F123-I127 HydrophobicContact CG-CD1 4.45Å; F123-I127 HydrophobicContact CZ-CD1 3.5Å; F123-I127 HydrophobicContact CZ-CG1 4.44Å; F123-I127 WeakPolarHBondContact O-CG1 3.17Å; F123-I127 PolarHBondContact O-N 3.45Å; I124-I127 HydrophobicContact CD1-CD1 4.41Å; I124-I127 PolarHBondContact O-N 2.92Å; I124-I127 VanDerWaalsContact O-N 3.15Å; I127-L130 PolarHBondContact O-N 2.83Å; I127-A131 VanDerWaalsContact O-CB 3.32Å; I127-A131 WeakPolarHBondContact O-CB 3.4Å; I127-A131 PolarHBondContact O-N 3.3Å; I127-I205 HydrophobicContact CD1-CD1 4.18Å |
| 128 | E | 79.1 | Confident | 79.6 | Confident | 47 Ų | 47 | 64.8 Ų | 64.8 | 22% | 0.22 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.6 | -48 | 179.4 | -173.7 | 164.7 | 165.2 | 0 | 0 | 111.4 | I124 L125 C126 L130 A131 I132 Y303 | I124-E128 PolarHBondContact O-N 3.44Å; L125-E128 PolarHBondContact O-N 2.94Å; C126-E128 VanDerWaalsContact C-N 3.31Å; C126-E128 PolarHBondContact O-N 3.28Å; E128-L130 PolarHBondContact O-N 3.02Å; E128-A131 PolarHBondContact O-N 3.49Å; E128-I132 HydrophobicContact CG-CD1 4.04Å; E128-I132 VanDerWaalsContact O-CG1 3.27Å; E128-I132 WeakPolarHBondContact O-CG1 3.38Å; E128-I132 PolarHBondContact O-N 2.9Å; E128-Y303 WeakPolarHBondContact OE2-CE1 3.38Å; E128-Y303 PolarHBondContact OE2-OH 3.18Å |
| 129 | Q | 83.2 | Confident | 78 | Confident | 101 Ų | 101 | 64.3 Ų | 64.3 | 47% | 0.472 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.4 | -37.8 | 177.9 | -64 | -51.9 | -42.8 | 0 | 0 | 112.6 | L125 C126 I132 H133 | L125-Q129 HydrophobicContact CD2-CG 3.97Å; L125-Q129 VanDerWaalsContact O-CG 3.3Å; L125-Q129 WeakPolarHBondContact O-CG 3.43Å; L125-Q129 PolarHBondContact O-N 3.14Å; C126-Q129 PolarHBondContact O-N 3.38Å; Q129-I132 PolarHBondContact O-N 3.39Å; Q129-H133 VanDerWaalsContact O-CB 3.26Å; Q129-H133 WeakPolarHBondContact O-CB 3.04Å; Q129-H133 PolarHBondContact O-N 3.23Å |
| 130 | L | 80.9 | Confident | 76 | Confident | 113 Ų | 113 | 68.5 Ų | 68.5 | 59% | 0.592 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -66.9 | -39.5 | 175.1 | -76.1 | 171.2 | 0 | 0 | 0 | 111.6 | C126 I127 E128 H133 A134 | C126-L130 WeakPolarHBondContact O-CB 3.25Å; C126-L130 WeakPolarHBondContact O-CG 3.23Å; C126-L130 PolarHBondContact O-N 3.17Å; I127-L130 PolarHBondContact O-N 2.83Å; E128-L130 PolarHBondContact O-N 3.02Å; L130-H133 PolarHBondContact O-N 3.43Å; L130-A134 WeakPolarHBondContact O-CB 3.35Å; L130-A134 PolarHBondContact O-N 2.93Å |
| 131 | A | 74 | Confident | 74 | Confident | 40 Ų | 40 | 78 Ų | 78 | 33% | 0.331 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | I127 E128 K135 I198 | I127-A131 VanDerWaalsContact O-CB 3.32Å; I127-A131 WeakPolarHBondContact O-CB 3.4Å; I127-A131 PolarHBondContact O-N 3.3Å; E128-A131 PolarHBondContact O-N 3.49Å; A131-K135 PolarHBondContact O-N 3.39Å; A131-K135 VanDerWaalsContact O-N 3.14Å; A131-I198 HydrophobicContact CB-CD1 3.88Å; A131-I198 HydrophobicContact CB-CG1 4.41Å |
| 132 | I | 74.5 | Confident | 72.2 | Confident | 71 Ų | 71 | 78.8 Ų | 78.8 | 36% | 0.364 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.2 | -46.1 | 174.8 | -65.1 | 164.8 | 0 | 0 | 0 | 110.3 | E128 Q129 K135 W136 | E128-I132 HydrophobicContact CG-CD1 4.04Å; E128-I132 VanDerWaalsContact O-CG1 3.27Å; E128-I132 WeakPolarHBondContact O-CG1 3.38Å; E128-I132 PolarHBondContact O-N 2.9Å; Q129-I132 PolarHBondContact O-N 3.39Å; I132-K135 PolarHBondContact O-N 3.29Å; I132-W136 PolarHBondContact O-N 3.46Å |
| 133 | H | 76.1 | Confident | 70.2 | Confident | 110 Ų | 110 | 79.6 Ų | 79.6 | 51% | 0.509 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.9 | -42.2 | 179.8 | -175.1 | 79.6 | 0 | 0 | 0 | 113.3 | Q129 L130 K135 W136 T137 | Q129-H133 VanDerWaalsContact O-CB 3.26Å; Q129-H133 WeakPolarHBondContact O-CB 3.04Å; Q129-H133 PolarHBondContact O-N 3.23Å; L130-H133 PolarHBondContact O-N 3.43Å; H133-K135 VanDerWaalsContact C-N 3.26Å; H133-K135 PolarHBondContact O-N 3.47Å; H133-W136 PolarHBondContact O-N 2.96Å; H133-W136 VanDerWaalsContact O-N 3.1Å; H133-T137 PolarHBondContact O-N 3.38Å; H133-T137 PolarHBondContact O-OG1 3.22Å |
| 134 | A | 72.3 | Confident | 68.5 | Low | 54 Ų | 54 | 80.6 Ų | 80.6 | 45% | 0.446 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.2 | -38.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | L130 T137 C138 | L130-A134 WeakPolarHBondContact O-CB 3.35Å; L130-A134 PolarHBondContact O-N 2.93Å; A134-T137 WeakPolarHBondContact CA-OG1 3.4Å; A134-T137 PolarHBondContact O-OG1 2.85Å; A134-C138 WeakPolarHBondContact O-CB 3.47Å; A134-C138 PolarHBondContact O-N 3.41Å |
| 135 | K | 66.9 | Low | 66.8 | Low | 83 Ų | 83 | 84.6 Ų | 84.6 | 36% | 0.361 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 171.6 | -176.9 | -175.3 | 178.8 | 178.4 | 0 | 111.7 | A131 I132 H133 T137 C138 G139 H191 L194 | A131-K135 PolarHBondContact O-N 3.39Å; A131-K135 VanDerWaalsContact O-N 3.14Å; I132-K135 PolarHBondContact O-N 3.29Å; H133-K135 VanDerWaalsContact C-N 3.26Å; H133-K135 PolarHBondContact O-N 3.47Å; K135-T137 VanDerWaalsContact C-N 3.31Å; K135-T137 PolarHBondContact O-N 3.13Å; K135-C138 PolarHBondContact O-N 2.89Å; K135-G139 PolarHBondContact O-N 3.4Å; K135-H191 PolarHBondContact NZ-CE1 3.19Å; K135-H191 PolarHBondContact NZ-ND1 3.49Å; K135-H191 PolarHBondContact NZ-NE2 3.16Å; K135-L194 HydrophobicContact CD-CD1 3.64Å |
| 136 | W | 64.8 | Low | 64.8 | Low | 129 Ų | 129 | 86.3 Ų | 86.3 | 49% | 0.489 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.4 | -41 | 179.8 | -150.1 | 84.8 | 0 | 0 | 0 | 111.5 | I132 H133 R140 | I132-W136 PolarHBondContact O-N 3.46Å; H133-W136 PolarHBondContact O-N 2.96Å; H133-W136 VanDerWaalsContact O-N 3.1Å; W136-R140 VanDerWaalsContact CZ3-NH1 3.31Å; W136-R140 WeakPolarHBondContact O-CB 3.48Å; W136-R140 PolarHBondContact O-N 2.88Å |
| 137 | T | 66.3 | Low | 62.7 | Low | 54 Ų | 54 | 87.6 Ų | 87.6 | 33% | 0.331 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -72.8 | -36.7 | 175.9 | 38.4 | 0 | 0 | 0 | 0 | 113.6 | H133 A134 K135 R140 R141 | H133-T137 PolarHBondContact O-N 3.38Å; H133-T137 PolarHBondContact O-OG1 3.22Å; A134-T137 WeakPolarHBondContact CA-OG1 3.4Å; A134-T137 PolarHBondContact O-OG1 2.85Å; K135-T137 VanDerWaalsContact C-N 3.31Å; K135-T137 PolarHBondContact O-N 3.13Å; T137-R140 PolarHBondContact O-N 3.3Å; T137-R141 PolarHBondContact O-N 3.48Å |
| 138 | C | 60 | Low | 60.6 | Low | 90 Ų | 90 | 93 Ų | 93 | 61% | 0.608 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -72.3 | -35.8 | 175.4 | -146.4 | 0 | 0 | 0 | 0 | 111.6 | A134 K135 R141 A142 | A134-C138 WeakPolarHBondContact O-CB 3.47Å; A134-C138 PolarHBondContact O-N 3.41Å; K135-C138 PolarHBondContact O-N 2.89Å; C138-R141 PolarHBondContact O-N 3.2Å; C138-A142 WeakPolarHBondContact O-CB 3.29Å; C138-A142 PolarHBondContact O-N 3.33Å |
| 139 | G | 56.3 | Low | 58.6 | Low | 41 Ų | 41 | 99.1 Ų | 99.1 | 42% | 0.423 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.7 | -40.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K135 A142 S143 | K135-G139 PolarHBondContact O-N 3.4Å; G139-A142 PolarHBondContact O-N 3.06Å; G139-S143 PolarHBondContact O-N 3.08Å; G139-S143 PolarHBondContact O-OG 3.37Å |
| 140 | R | 51.3 | Low | 56.2 | Low | 152 Ų | 152 | 98.4 Ų | 98.4 | 57% | 0.574 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -68 | -34.8 | 174 | -124.5 | 176 | -166.1 | -175.4 | 5.3 | 113.4 | W136 T137 S143 V144 | W136-R140 VanDerWaalsContact CZ3-NH1 3.31Å; W136-R140 WeakPolarHBondContact O-CB 3.48Å; W136-R140 PolarHBondContact O-N 2.88Å; T137-R140 PolarHBondContact O-N 3.3Å; R140-S143 WeakPolarHBondContact CA-OG 3.36Å; R140-S143 PolarHBondContact O-OG 3.42Å; R140-S143 VanDerWaalsContact O-OG 3.13Å; R140-V144 WeakPolarHBondContact O-CB 3.31Å; R140-V144 VanDerWaalsContact O-CG2 3.26Å; R140-V144 WeakPolarHBondContact O-CG2 3.47Å; R140-V144 PolarHBondContact O-N 3.07Å; R140-V144 VanDerWaalsContact O-N 3.1Å |
| 141 | R | 47.9 | Very low | 54 | Low | 200 Ų | 200 | 100.6 Ų | 100.6 | 76% | 0.755 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -71.1 | -34.3 | 172.9 | -84.5 | -179.2 | 179.1 | 154 | 0.8 | 112.3 | T137 C138 A145 | T137-R141 PolarHBondContact O-N 3.48Å; C138-R141 PolarHBondContact O-N 3.2Å; R141-A145 VanDerWaalsContact O-CB 3.25Å; R141-A145 WeakPolarHBondContact O-CB 3.49Å; R141-A145 PolarHBondContact O-N 2.8Å; R141-A145 VanDerWaalsContact O-N 3.07Å |
| 142 | A | 50.4 | Low | 52 | Low | 66 Ų | 66 | 105.1 Ų | 105.1 | 55% | 0.545 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -71.4 | -28.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | C138 G139 S146 | C138-A142 WeakPolarHBondContact O-CB 3.29Å; C138-A142 PolarHBondContact O-N 3.33Å; G139-A142 PolarHBondContact O-N 3.06Å; A142-S146 PolarHBondContact O-OG 3.38Å |
| 143 | S | 47.8 | Very low | 50 | Low | 74 Ų | 74 | 104.4 Ų | 104.4 | 52% | 0.517 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -86.1 | -17.7 | 175.2 | 67.1 | 0 | 0 | 0 | 0 | 114.6 | G139 R140 S146 | G139-S143 PolarHBondContact O-N 3.08Å; G139-S143 PolarHBondContact O-OG 3.37Å; R140-S143 WeakPolarHBondContact CA-OG 3.36Å; R140-S143 PolarHBondContact O-OG 3.42Å; R140-S143 VanDerWaalsContact O-OG 3.13Å; S143-S146 PolarHBondContact O-OG 2.91Å |
| 144 | V | 51.4 | Low | 47.9 | Very low | 107 Ų | 107 | 106.1 Ų | 106.1 | 65% | 0.648 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -91.1 | -25 | 173.2 | 173.5 | 0 | 0 | 0 | 0 | 111.7 | R140 S147 | R140-V144 WeakPolarHBondContact O-CB 3.31Å; R140-V144 VanDerWaalsContact O-CG2 3.26Å; R140-V144 WeakPolarHBondContact O-CG2 3.47Å; R140-V144 PolarHBondContact O-N 3.07Å; R140-V144 VanDerWaalsContact O-N 3.1Å; V144-S147 PolarHBondContact O-OG 2.73Å |
| 145 | A | 46.9 | Very low | 45.9 | Very low | 83 Ų | 83 | 108.8 Ų | 108.8 | 69% | 0.686 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -6.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | R141 | R141-A145 VanDerWaalsContact O-CB 3.25Å; R141-A145 WeakPolarHBondContact O-CB 3.49Å; R141-A145 PolarHBondContact O-N 2.8Å; R141-A145 VanDerWaalsContact O-N 3.07Å |
| 146 | S | 44.3 | Very low | 44.2 | Very low | 95 Ų | 95 | 108.3 Ų | 108.3 | 66% | 0.664 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | 18.9 | -177.6 | 56.2 | 0 | 0 | 0 | 0 | 114.9 | A142 S143 | A142-S146 PolarHBondContact O-OG 3.38Å; S143-S146 PolarHBondContact O-OG 2.91Å |
| 147 | S | 40.7 | Very low | 42.6 | Very low | 93 Ų | 93 | 106.7 Ų | 106.7 | 65% | 0.65 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -107.5 | 5.4 | 175.9 | 61.9 | 0 | 0 | 0 | 0 | 115.6 | V144 | V144-S147 PolarHBondContact O-OG 2.73Š|
| 148 | N | 38.6 | Very low | 40.8 | Very low | 150 Ų | 150 | 109.1 Ų | 109.1 | 80% | 0.802 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -121.7 | 95.1 | 171.3 | -94.3 | -10.3 | 0 | 0 | 0 | 111.8 | ||
| 149 | Q | 36.5 | Very low | 39.3 | Very low | 176 Ų | 176 | 110.5 Ų | 110.5 | 82% | 0.822 | 71% | 0.706 | S | S | * | * | trans | 45.4 | 108.2 | 139.2 | -104.2 | 178.6 | -18.8 | 0 | 0 | 120.8 | ||||
| 150 | S | 32.9 | Very low | 37.8 | Very low | 86 Ų | 86 | 114 Ų | 114 | 60% | 0.601 | 72% | 0.723 | S | S | * | * | 64.4 | 125.7 | 112.8 | 71.1 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 151 | N | 34.6 | Very low | 36.7 | Very low | 158 Ų | 158 | 116.5 Ų | 116.5 | 85% | 0.845 | 74% | 0.741 | S | S | * | * | 105.6 | 127 | 129.8 | -86.9 | 2.3 | 0 | 0 | 0 | 121.5 | |||||
| 152 | C | 32.1 | Very low | 35.7 | Very low | 135 Ų | 135 | 110.5 Ų | 110.5 | 91% | 0.912 | 74% | 0.742 | S | S | * | * | trans | 79.3 | 126.3 | 149.5 | -137.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 153 | G | 33.1 | Very low | 34.7 | Very low | 56 Ų | 56 | 117.3 Ų | 117.3 | 58% | 0.577 | 76% | 0.759 | S | S | * | * | cis | -169.7 | 137 | 0.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 154 | T | 30.3 | Very low | 34.4 | Very low | 146 Ų | 146 | 119.4 Ų | 119.4 | 90% | 0.896 | 77% | 0.771 | S | S | * | * | 70.9 | 130 | 101.2 | 48.1 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 155 | A | 32 | Very low | 33 | Very low | 111 Ų | 111 | 122 Ų | 122 | 92% | 0.917 | 78% | 0.78 | S | S | * | * | trans | 103.1 | 121.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 156 | G | 30.1 | Very low | 32.1 | Very low | 73 Ų | 73 | 125.8 Ų | 125.8 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | cis | 178.3 | 174.1 | 2.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 157 | A | 30.7 | Very low | 31.2 | Very low | 94 Ų | 94 | 128.4 Ų | 128.4 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | trans | 76.6 | 99 | 166.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 158 | S | 29.1 | Very low | 30.6 | Very low | 105 Ų | 105 | 132.2 Ų | 132.2 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | 78 | 130.8 | 91.8 | 72.2 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 159 | T | 27.5 | Very low | 29.9 | Very low | 120 Ų | 120 | 128.6 Ų | 128.6 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | cis | -174.1 | 150.1 | 24.4 | -12 | 0 | 0 | 0 | 0 | 108 | ||||
| 160 | C | 25.2 | Very low | 29.5 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 78% | 0.777 | 79% | 0.785 | S | S | * | * | trans | 69.1 | 125.7 | 146.7 | -62 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 161 | E | 27.9 | Very low | 29.2 | Very low | 203 Ų | 203 | 134.5 Ų | 134.5 | 95% | 0.949 | 80% | 0.797 | S | S | * | * | trans | 126.8 | 124.9 | 149.1 | -74.8 | -170.2 | 165.1 | 0 | 0 | 110.9 | ||||
| 162 | G | 27.5 | Very low | 28.9 | Very low | 75 Ų | 75 | 134.9 Ų | 134.9 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | cis | 175.2 | 130.2 | 2.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 163 | K | 29.4 | Very low | 28.7 | Very low | 208 Ų | 208 | 134.2 Ų | 134.2 | 90% | 0.904 | 79% | 0.788 | S | S | * | * | trans | -68.8 | 165.7 | 172.5 | -102.7 | 179.7 | -178 | 177.6 | 0 | 111.1 | ||||
| 164 | P | 40.7 | Very low | 28.4 | Very low | 118 Ų | 118 | 135 Ų | 135 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | trans | -89.8 | 158.9 | -157.3 | 37.1 | -35.2 | 0 | 0 | 0 | 113.5 | ||||
| 165 | L | 23.8 | Very low | 28.3 | Very low | 161 Ų | 161 | 138.4 Ų | 138.4 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -140.1 | 117 | 173.4 | -85.4 | 166.6 | 0 | 0 | 0 | 111.6 | ||||
| 166 | L | 27.3 | Very low | 28.2 | Very low | 163 Ų | 163 | 138 Ų | 138 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | 74.7 | 107.4 | 167.5 | -48.5 | 174.3 | 0 | 0 | 0 | 115 | ||||
| 167 | N | 26.2 | Very low | 28.2 | Very low | 150 Ų | 150 | 139.2 Ų | 139.2 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | cis | 44.2 | 119 | 36.8 | -150.2 | 28.4 | 0 | 0 | 0 | 117.2 | ||||
| 168 | E | 26.4 | Very low | 28.3 | Very low | 173 Ų | 173 | 140.5 Ų | 140.5 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | trans | 122.9 | 132.5 | 160.8 | -78 | -152.5 | -179.7 | 0 | 0 | 113 | ||||
| 169 | S | 25 | Very low | 28.3 | Very low | 75 Ų | 75 | 140.7 Ų | 140.7 | 52% | 0.524 | 77% | 0.765 | S | S | . | * | cis | -177.6 | 162.3 | -8.7 | 39.9 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 170 | H | 28 | Very low | 28.3 | Very low | 161 Ų | 161 | 141.4 Ų | 141.4 | 75% | 0.745 | 76% | 0.764 | S | S | * | * | trans | 76 | 128.4 | 167.4 | -63.7 | -58.2 | 0 | 0 | 0 | 118 | ||||
| 171 | R | 26.8 | Very low | 28.3 | Very low | 224 Ų | 224 | 144.4 Ų | 144.4 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | cis | -160.6 | 130.3 | 10.7 | -109.5 | 167.6 | -174.7 | 174.8 | 0.9 | 107.7 | ||||
| 172 | Q | 27 | Very low | 28.3 | Very low | 166 Ų | 166 | 143.7 Ų | 143.7 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | trans | -68.6 | 159.7 | 147.2 | -69 | -177.8 | -28.9 | 0 | 0 | 108.9 | S174 | Q172-S174 PolarHBondContact OE1-OG 2.89Š| ||
| 173 | P | 29.6 | Very low | 28.3 | Very low | 121 Ų | 121 | 147 Ų | 147 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | -132.9 | 133.1 | 89.4 | 38.2 | -26.1 | 0 | 0 | 0 | 110.4 | |||||
| 174 | S | 25.6 | Very low | 28.2 | Very low | 72 Ų | 72 | 143.6 Ų | 143.6 | 50% | 0.503 | 76% | 0.759 | S | S | . | * | 48.5 | 125.7 | 64.8 | -6.1 | 0 | 0 | 0 | 0 | 111.8 | Q172 | Q172-S174 PolarHBondContact OE1-OG 2.89Š| |||
| 175 | Y | 27.8 | Very low | 27.7 | Very low | 218 Ų | 218 | 146.3 Ų | 146.3 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | cis | -169.6 | 155.2 | 23.1 | -124.1 | -81.8 | 0 | 0 | 0 | 109.7 | ||||
| 176 | S | 30.6 | Very low | 28.1 | Very low | 103 Ų | 103 | 146 Ų | 146 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | trans | 147 | 94.4 | 137.1 | 54.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 177 | S | 29.7 | Very low | 28.5 | Very low | 98 Ų | 98 | 144.4 Ų | 144.4 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | 60.8 | 118.8 | 90.2 | 69.2 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 178 | V | 33.1 | Very low | 29.2 | Very low | 121 Ų | 121 | 142.2 Ų | 142.2 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | -172.6 | 123 | 77.8 | 157.2 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 179 | T | 28.3 | Very low | 29.9 | Very low | 109 Ų | 109 | 140.6 Ų | 140.6 | 67% | 0.669 | 74% | 0.736 | S | S | * | * | trans | 41 | 123.8 | 137.9 | 75.6 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 180 | N | 28.6 | Very low | 30.9 | Very low | 135 Ų | 135 | 142.6 Ų | 142.6 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | 161 | 108.6 | 109.9 | -83.2 | -16.8 | 0 | 0 | 0 | 108.5 | |||||
| 181 | E | 26.2 | Very low | 32.1 | Very low | 178 Ų | 178 | 137.9 Ų | 137.9 | 83% | 0.832 | 72% | 0.723 | S | S | * | * | 58.1 | 91.5 | 108.7 | -70.6 | -165.3 | 167.6 | 0 | 0 | 112.8 | |||||
| 182 | E | 26.4 | Very low | 33.8 | Very low | 188 Ų | 188 | 129.1 Ų | 129.1 | 88% | 0.879 | 70% | 0.697 | S | S | * | * | trans | 174.7 | 138.4 | 130.3 | -92.8 | 170.7 | -174.2 | 0 | 0 | 110.1 | ||||
| 183 | D | 27.7 | Very low | 35.9 | Very low | 144 Ų | 144 | 128.6 Ų | 128.6 | 77% | 0.77 | 69% | 0.688 | S | S | * | * | trans | 73.3 | 110.4 | 170.8 | -63.5 | -23.4 | 0 | 0 | 0 | 121.3 | H185 | D183-H185 PolarHBondContact O-N 2.7Š| ||
| 184 | V | 28.5 | Very low | 37.8 | Very low | 137 Ų | 137 | 125 Ų | 125 | 83% | 0.83 | 66% | 0.662 | S | S | * | * | trans | -56 | 93.3 | 163.5 | 179.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 185 | H | 29.4 | Very low | 39.8 | Very low | 175 Ų | 175 | 125.6 Ų | 125.6 | 81% | 0.81 | 65% | 0.653 | S | S | * | * | trans | -103.9 | 94.9 | 156.7 | -88.1 | -55.7 | 0 | 0 | 0 | 108.4 | D183 D187 | D183-H185 PolarHBondContact O-N 2.7Å; H185-D187 PolarHBondContact O-N 2.85Å | ||
| 186 | E | 31.5 | Very low | 41.9 | Very low | 155 Ų | 155 | 115.3 Ų | 115.3 | 72% | 0.724 | 61% | 0.613 | S | S | * | * | trans | -52.5 | 122 | 164.2 | -81.6 | -172.2 | 143.3 | 0 | 0 | 109.1 | ||||
| 187 | D | 35.7 | Very low | 44.2 | Very low | 130 Ų | 130 | 113.3 Ų | 113.3 | 70% | 0.695 | 59% | 0.594 | S | S | * | * | trans | -50.7 | 124 | 175.9 | -77.9 | -47.6 | 0 | 0 | 0 | 111.3 | H185 M189 | H185-D187 PolarHBondContact O-N 2.85Å; D187-M189 PolarHBondContact O-N 2.79Å | ||
| 188 | P | 42.1 | Very low | 46.4 | Very low | 103 Ų | 103 | 109.9 Ų | 109.9 | 67% | 0.669 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | 22 | -178.2 | 31.3 | -34.4 | 0 | 0 | 0 | 113 | ||
| 189 | M | 41.2 | Very low | 48.5 | Very low | 140 Ų | 140 | 104.4 Ų | 104.4 | 69% | 0.69 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -3.1 | -166.8 | -70.9 | -106.1 | 81.1 | 0 | 0 | 114.7 | D187 | D187-M189 PolarHBondContact O-N 2.79Š|
| 190 | T | 45.2 | Very low | 51.1 | Low | 116 Ų | 116 | 99.8 Ų | 99.8 | 71% | 0.712 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -99.5 | 14.1 | -178.2 | 58.5 | 0 | 0 | 0 | 0 | 114.9 | ||
| 191 | H | 52.3 | Low | 53.7 | Low | 62 Ų | 62 | 97.4 Ų | 97.4 | 29% | 0.287 | 49% | 0.492 | S | S | . | . | trans | -115.3 | 41.1 | -172.9 | -64.6 | -1.8 | 0 | 0 | 0 | 114.2 | K135 W193 L194 R195 | K135-H191 PolarHBondContact NZ-CE1 3.19Å; K135-H191 PolarHBondContact NZ-ND1 3.49Å; K135-H191 PolarHBondContact NZ-NE2 3.16Å; H191-W193 PolarHBondContact O-N 2.68Å; H191-L194 HydrophobicContact CB-CB 4.44Å; H191-L194 PolarHBondContact O-N 3.43Å; H191-R195 VanDerWaalsContact O-CB 3.28Å; H191-R195 WeakPolarHBondContact O-CB 3.22Å; H191-R195 PolarHBondContact O-N 2.9Å | ||
| 192 | S | 62.5 | Low | 56.2 | Low | 41 Ų | 41 | 89 Ų | 89 | 29% | 0.287 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -46.2 | -53.9 | -177.7 | 172 | 0 | 0 | 0 | 0 | 114.3 | A196 F248 | S192-A196 PolarHBondContact O-N 2.79Å; S192-F248 VanDerWaalsContact O-CE1 3.3Å; S192-F248 WeakPolarHBondContact O-CE1 3.41Å; S192-F248 WeakPolarHBondContact OG-CD1 3.46Å |
| 193 | W | 71.1 | Confident | 58.8 | Low | 154 Ų | 154 | 80.2 Ų | 80.2 | 58% | 0.583 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -76.7 | -36.7 | -176.5 | 82.8 | -77.1 | 0 | 0 | 0 | 113.8 | H191 A196 I197 | H191-W193 PolarHBondContact O-N 2.68Å; W193-A196 WeakPolarHBondContact O-CB 3.33Å; W193-A196 PolarHBondContact O-N 2.91Å; W193-I197 HydrophobicContact CD2-CD1 4.4Å; W193-I197 HydrophobicContact CE3-CD1 3.3Å; W193-I197 HydrophobicContact CE3-CG1 4.41Å; W193-I197 HydrophobicContact CH2-CD1 4.29Å; W193-I197 HydrophobicContact CZ3-CD1 3.23Å; W193-I197 WeakPolarHBondContact O-CG1 3.21Å; W193-I197 PolarHBondContact O-N 2.79Å; W193-I197 VanDerWaalsContact O-N 3.07Å |
| 194 | L | 69.6 | Low | 61.7 | Low | 46 Ų | 46 | 74 Ų | 74 | 24% | 0.241 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -68.4 | -39.4 | 178.2 | -82.6 | 166.1 | 0 | 0 | 0 | 111.5 | K135 H191 A196 I197 I198 | K135-L194 HydrophobicContact CD-CD1 3.64Å; H191-L194 HydrophobicContact CB-CB 4.44Å; H191-L194 PolarHBondContact O-N 3.43Å; L194-A196 VanDerWaalsContact C-N 3.28Å; L194-A196 PolarHBondContact O-N 3.34Å; L194-I197 PolarHBondContact O-N 2.83Å; L194-I198 VanDerWaalsContact O-CG1 3.31Å; L194-I198 WeakPolarHBondContact O-CG1 3.26Å; L194-I198 PolarHBondContact O-N 3.01Å |
| 195 | R | 68.7 | Low | 64.3 | Low | 85 Ų | 85 | 69.1 Ų | 69.1 | 32% | 0.321 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.3 | -38.3 | 175.4 | -165.8 | 173.4 | -174.9 | 168.9 | 2.5 | 111.1 | H191 I198 L199 | H191-R195 VanDerWaalsContact O-CB 3.28Å; H191-R195 WeakPolarHBondContact O-CB 3.22Å; H191-R195 PolarHBondContact O-N 2.9Å; R195-I198 PolarHBondContact O-N 2.95Å; R195-L199 WeakPolarHBondContact O-CB 3.4Å; R195-L199 PolarHBondContact O-N 3.29Å |
| 196 | A | 72.4 | Confident | 66.9 | Low | 2 Ų | 2 | 61 Ų | 61 | 2% | 0.017 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S192 W193 L194 V200 L245 F248 | S192-A196 PolarHBondContact O-N 2.79Å; W193-A196 WeakPolarHBondContact O-CB 3.33Å; W193-A196 PolarHBondContact O-N 2.91Å; L194-A196 VanDerWaalsContact C-N 3.28Å; L194-A196 PolarHBondContact O-N 3.34Å; A196-V200 VanDerWaalsContact O-CG2 3.24Å; A196-V200 WeakPolarHBondContact O-CG2 3.45Å; A196-V200 PolarHBondContact O-N 2.9Å; A196-L245 HydrophobicContact CB-CD2 4.09Å; A196-F248 HydrophobicContact CB-CD2 3.6Å; A196-F248 HydrophobicContact CB-CE2 3.43Å; A196-F248 VanDerWaalsContact CB-CE2 3.43Å; A196-F248 HydrophobicContact CB-CG 4.4Å; A196-F248 HydrophobicContact CB-CZ 4.1Å |
| 197 | I | 78.2 | Confident | 69.4 | Low | 61 Ų | 61 | 53.7 Ų | 53.7 | 31% | 0.313 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -68.2 | -44.3 | 178.4 | -69.6 | 173.8 | 0 | 0 | 0 | 111.5 | W193 L194 L199 V200 L201 F259 | W193-I197 HydrophobicContact CD2-CD1 4.4Å; W193-I197 HydrophobicContact CE3-CD1 3.3Å; W193-I197 HydrophobicContact CE3-CG1 4.41Å; W193-I197 HydrophobicContact CH2-CD1 4.29Å; W193-I197 HydrophobicContact CZ3-CD1 3.23Å; W193-I197 WeakPolarHBondContact O-CG1 3.21Å; W193-I197 PolarHBondContact O-N 2.79Å; W193-I197 VanDerWaalsContact O-N 3.07Å; L194-I197 PolarHBondContact O-N 2.83Å; I197-L199 VanDerWaalsContact C-N 3.34Å; I197-V200 PolarHBondContact O-N 3.24Å; I197-L201 VanDerWaalsContact O-CB 3.26Å; I197-L201 WeakPolarHBondContact O-CB 3.26Å; I197-L201 PolarHBondContact O-N 3.26Å; I197-F259 HydrophobicContact CG1-CZ 4.21Å |
| 198 | I | 76.6 | Confident | 71.9 | Confident | 26 Ų | 26 | 49.9 Ų | 49.9 | 13% | 0.133 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 177.6 | -68.2 | 167 | 0 | 0 | 0 | 109.8 | A131 L194 R195 V200 L201 T202 | A131-I198 HydrophobicContact CB-CD1 3.88Å; A131-I198 HydrophobicContact CB-CG1 4.41Å; L194-I198 VanDerWaalsContact O-CG1 3.31Å; L194-I198 WeakPolarHBondContact O-CG1 3.26Å; L194-I198 PolarHBondContact O-N 3.01Å; R195-I198 PolarHBondContact O-N 2.95Å; I198-V200 PolarHBondContact O-N 3.12Å; I198-L201 PolarHBondContact O-N 3.34Å; I198-T202 VanDerWaalsContact O-CB 3.29Å; I198-T202 WeakPolarHBondContact O-CB 3.31Å; I198-T202 PolarHBondContact O-N 2.95Å; I198-T202 PolarHBondContact O-OG1 3.41Å |
| 199 | L | 77 | Confident | 73.9 | Confident | 6 Ų | 6 | 46.9 Ų | 46.9 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57 | -49.3 | 174.4 | 166.2 | 58.8 | 0 | 0 | 0 | 111.9 | R195 I197 L201 L203 L241 R244 E308 | R195-L199 WeakPolarHBondContact O-CB 3.4Å; R195-L199 PolarHBondContact O-N 3.29Å; I197-L199 VanDerWaalsContact C-N 3.34Å; L199-L201 VanDerWaalsContact C-N 3.33Å; L199-L201 PolarHBondContact O-N 2.77Å; L199-L203 HydrophobicContact CD1-CD1 3.54Å; L199-L203 HydrophobicContact CD1-CG 3.91Å; L199-L203 HydrophobicContact CG-CD1 4.39Å; L199-L203 WeakPolarHBondContact O-CB 3.46Å; L199-L203 WeakPolarHBondContact O-CG 3.44Å; L199-L203 PolarHBondContact O-N 2.91Å; L199-L241 HydrophobicContact CD1-CD1 4.46Å; L199-L241 HydrophobicContact CD2-CD1 4.04Å; L199-L241 HydrophobicContact CG-CD1 3.95Å; L199-R244 HydrophobicContact CD2-CB 3.88Å; L199-R244 HydrophobicContact CD2-CG 4.36Å; L199-E308 VanDerWaalsContact CB-OE1 3.25Å; L199-E308 WeakPolarHBondContact CB-OE1 3.34Å; L199-E308 HydrophobicContact CD1-CG 4.49Å; L199-E308 WeakPolarHBondContact CD1-OE1 3.22Å; L199-E308 WeakPolarHBondContact CD1-OE2 2.79Å; L199-E308 WeakPolarHBondContact CG-OE1 3.32Å |
| 200 | V | 82.3 | Confident | 75.7 | Confident | 12 Ų | 12 | 40.8 Ų | 40.8 | 7% | 0.073 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.9 | -42 | 177.4 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | A196 I197 I198 S204 L241 L245 F259 | A196-V200 VanDerWaalsContact O-CG2 3.24Å; A196-V200 WeakPolarHBondContact O-CG2 3.45Å; A196-V200 PolarHBondContact O-N 2.9Å; I197-V200 PolarHBondContact O-N 3.24Å; I198-V200 PolarHBondContact O-N 3.12Å; V200-S204 WeakPolarHBondContact O-CB 3.41Å; V200-S204 PolarHBondContact O-N 3.37Å; V200-S204 PolarHBondContact O-OG 2.93Å; V200-L241 HydrophobicContact CG2-CD1 3.91Å; V200-L245 HydrophobicContact CG2-CD1 4.18Å; V200-L245 HydrophobicContact CG2-CD2 3.92Å; V200-L245 HydrophobicContact CG2-CG 4.49Å; V200-F259 HydrophobicContact CG1-CB 4.39Å; V200-F259 HydrophobicContact CG2-CB 4.15Å; V200-F259 HydrophobicContact CG2-CD2 4.38Å; V200-F259 HydrophobicContact CG2-CG 4.3Å |
| 201 | L | 82.4 | Confident | 77.6 | Confident | 84 Ų | 84 | 35.4 Ų | 35.4 | 44% | 0.44 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -65.5 | -49.5 | 179.7 | -178.3 | 67.5 | 0 | 0 | 0 | 111.5 | I197 I198 L199 L203 S204 I205 | I197-L201 VanDerWaalsContact O-CB 3.26Å; I197-L201 WeakPolarHBondContact O-CB 3.26Å; I197-L201 PolarHBondContact O-N 3.26Å; I198-L201 PolarHBondContact O-N 3.34Å; L199-L201 VanDerWaalsContact C-N 3.33Å; L199-L201 PolarHBondContact O-N 2.77Å; L201-L203 PolarHBondContact O-N 3.49Å; L201-S204 PolarHBondContact O-N 2.89Å; L201-I205 HydrophobicContact CD1-CD1 4.3Å; L201-I205 HydrophobicContact CG-CD1 4.09Å; L201-I205 WeakPolarHBondContact O-CG1 3.46Å; L201-I205 PolarHBondContact O-N 3.43Å |
| 202 | T | 80.2 | Confident | 79.1 | Confident | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.012 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.9 | -49.5 | 178.1 | -69.1 | 0 | 0 | 0 | 0 | 111 | I124 I198 S204 I205 H206 I304 | I124-T202 HydrophobicContact CD1-CG2 4Å; I124-T202 HydrophobicContact CG1-CG2 4.17Å; I124-T202 HydrophobicContact CG2-CG2 3.52Å; I198-T202 VanDerWaalsContact O-CB 3.29Å; I198-T202 WeakPolarHBondContact O-CB 3.31Å; I198-T202 PolarHBondContact O-N 2.95Å; I198-T202 PolarHBondContact O-OG1 3.41Å; T202-S204 VanDerWaalsContact C-N 3.33Å; T202-S204 PolarHBondContact O-N 2.97Å; T202-I205 PolarHBondContact O-N 3.47Å; T202-H206 PolarHBondContact O-N 2.66Å; T202-I304 HydrophobicContact CG2-CD1 4.05Å; T202-I304 HydrophobicContact CG2-CG1 3.85Å |
| 203 | L | 81.2 | Confident | 80 | Confident | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.5 | -35.5 | 176.9 | -74.2 | -178.3 | 0 | 0 | 0 | 112.6 | L199 L201 H206 A207 V237 L241 F263 I304 | L199-L203 HydrophobicContact CD1-CD1 3.54Å; L199-L203 HydrophobicContact CD1-CG 3.91Å; L199-L203 HydrophobicContact CG-CD1 4.39Å; L199-L203 WeakPolarHBondContact O-CB 3.46Å; L199-L203 WeakPolarHBondContact O-CG 3.44Å; L199-L203 PolarHBondContact O-N 2.91Å; L201-L203 PolarHBondContact O-N 3.49Å; L203-H206 PolarHBondContact O-N 2.84Å; L203-A207 WeakPolarHBondContact O-CB 3.21Å; L203-A207 PolarHBondContact O-N 3.01Å; L203-V237 HydrophobicContact CD1-CG1 4.07Å; L203-V237 HydrophobicContact CD2-CG1 3.68Å; L203-V237 HydrophobicContact CG-CG1 4.46Å; L203-L241 HydrophobicContact CD1-CB 3.95Å; L203-L241 HydrophobicContact CD1-CD1 4Å; L203-L241 HydrophobicContact CD1-CD2 4.1Å; L203-L241 HydrophobicContact CD1-CG 4.22Å; L203-F263 HydrophobicContact CB-CD2 4.07Å; L203-F263 HydrophobicContact CB-CE2 3.72Å; L203-F263 WeakPolarHBondContact O-CE2 3.49Å; L203-I304 HydrophobicContact CD2-CD1 3.53Å; L203-I304 HydrophobicContact CD2-CG1 4.34Å; L203-I304 HydrophobicContact CD2-CG2 4.37Å |
| 204 | S | 87 | Confident | 80.6 | Confident | 14 Ų | 14 | 25 Ų | 25 | 10% | 0.098 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.9 | -42.6 | 177.1 | -63 | 0 | 0 | 0 | 0 | 111.9 | V200 L201 T202 H206 A207 L208 V266 | V200-S204 WeakPolarHBondContact O-CB 3.41Å; V200-S204 PolarHBondContact O-N 3.37Å; V200-S204 PolarHBondContact O-OG 2.93Å; L201-S204 PolarHBondContact O-N 2.89Å; T202-S204 VanDerWaalsContact C-N 3.33Å; T202-S204 PolarHBondContact O-N 2.97Å; S204-H206 VanDerWaalsContact C-N 3.33Å; S204-H206 PolarHBondContact O-N 3.38Å; S204-A207 PolarHBondContact O-N 3.27Å; S204-L208 WeakPolarHBondContact O-CB 3.49Å; S204-L208 PolarHBondContact O-N 3.32Å; S204-V266 WeakPolarHBondContact O-CG1 3.34Å |
| 205 | I | 83.4 | Confident | 81.1 | Confident | 34 Ų | 34 | 22.8 Ų | 22.8 | 17% | 0.174 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62 | -44.4 | 175.8 | -69.5 | 167.4 | 0 | 0 | 0 | 110.3 | F123 I127 L201 T202 L208 F209 | F123-I205 HydrophobicContact CE1-CG2 4.26Å; I127-I205 HydrophobicContact CD1-CD1 4.18Å; L201-I205 HydrophobicContact CD1-CD1 4.3Å; L201-I205 HydrophobicContact CG-CD1 4.09Å; L201-I205 WeakPolarHBondContact O-CG1 3.46Å; L201-I205 PolarHBondContact O-N 3.43Å; T202-I205 PolarHBondContact O-N 3.47Å; I205-L208 WeakPolarHBondContact O-CB 3.25Å; I205-L208 PolarHBondContact O-N 3.4Å; I205-F209 HydrophobicContact CG2-CD2 4.1Å; I205-F209 HydrophobicContact CG2-CE2 3.48Å; I205-F209 VanDerWaalsContact CG2-CE2 3.48Å; I205-F209 HydrophobicContact CG2-CZ 3.79Å; I205-F209 PolarHBondContact O-N 2.83Å |
| 206 | H | 84.2 | Confident | 81.7 | Confident | 4 Ų | 4 | 19.2 Ų | 19.2 | 2% | 0.019 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.5 | -49.7 | 175.3 | 174.4 | 80.2 | 0 | 0 | 0 | 111.5 | T202 L203 S204 L208 F209 E210 A297 T300 F301 | T202-H206 PolarHBondContact O-N 2.66Å; L203-H206 PolarHBondContact O-N 2.84Å; S204-H206 VanDerWaalsContact C-N 3.33Å; S204-H206 PolarHBondContact O-N 3.38Å; H206-L208 VanDerWaalsContact C-N 3.25Å; H206-L208 PolarHBondContact O-N 2.86Å; H206-F209 PolarHBondContact O-N 2.86Å; H206-F209 VanDerWaalsContact O-N 3.13Å; H206-E210 IonicContact CD2-OE2 3.94Å; H206-E210 IonicContact CE1-OE1 2.7Å; H206-E210 PolarHBondContact CE1-OE1 3.34Å; H206-E210 WeakPolarHBondContact NE2-CG 3.35Å; H206-E210 IonicContact NE2-OE1 2.73Å; H206-E210 PolarHBondContact NE2-OE1 3.14Å; H206-E210 IonicContact NE2-OE2 2.68Å; H206-E210 PolarHBondContact NE2-OE2 2.77Å; H206-E210 PolarHBondContact O-N 2.78Å; H206-E210 VanDerWaalsContact O-N 3.08Å; H206-A297 PolarHBondContact CE1-O 3.04Å; H206-A297 PolarHBondContact ND1-O 3.26Å; H206-T300 PolarHBondContact ND1-OG1 2.82Å; H206-F301 AromaticContact CD2-CD1 3.98Å; H206-F301 AromaticContact CD2-CE1 3.43Å; H206-F301 VanDerWaalsContact CD2-CE1 3.43Å; H206-F301 WeakPolarHBondContact CD2-CE1 3.36Å; H206-F301 AromaticContact CD2-CZ 3.69Å; H206-F301 AromaticContact CE1-CD1 3.46Å; H206-F301 VanDerWaalsContact CE1-CD1 3.46Å; H206-F301 WeakPolarHBondContact CE1-CD1 3.44Å; H206-F301 AromaticContact CE1-CD2 3.41Å; H206-F301 VanDerWaalsContact CE1-CD2 3.41Å; H206-F301 WeakPolarHBondContact CE1-CD2 3.48Å; H206-F301 AromaticContact CE1-CE1 3.45Å; H206-F301 VanDerWaalsContact CE1-CE1 3.45Å; H206-F301 WeakPolarHBondContact CE1-CE1 3.34Å; H206-F301 AromaticContact CE1-CE2 3.39Å; H206-F301 WeakPolarHBondContact CE1-CE2 3.42Å; H206-F301 AromaticContact CE1-CG 3.45Å; H206-F301 VanDerWaalsContact CE1-CG 3.45Å; H206-F301 WeakPolarHBondContact CE1-CG 3.23Å; H206-F301 AromaticContact CE1-CZ 3.42Å; H206-F301 VanDerWaalsContact CE1-CZ 3.42Å; H206-F301 WeakPolarHBondContact CE1-CZ 3.11Å; H206-F301 AromaticContact ND1-CD1 3.86Å; H206-F301 AromaticContact NE2-CD1 3.55Å; H206-F301 AromaticContact NE2-CD2 3.77Å; H206-F301 AromaticContact NE2-CE1 3.01Å; H206-F301 WeakPolarHBondContact NE2-CE1 3.26Å; H206-F301 AromaticContact NE2-CE2 3.26Å; H206-F301 VanDerWaalsContact NE2-CE2 3.26Å; H206-F301 WeakPolarHBondContact NE2-CE2 3.43Å; H206-F301 AromaticContact NE2-CG 3.91Å; H206-F301 AromaticContact NE2-CZ 2.85Å; H206-F301 WeakPolarHBondContact NE2-CZ 3.01Å |
| 207 | A | 84.3 | Confident | 81.9 | Confident | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.008 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63 | -30.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L203 S204 G211 F263 G267 | L203-A207 WeakPolarHBondContact O-CB 3.21Å; L203-A207 PolarHBondContact O-N 3.01Å; S204-A207 PolarHBondContact O-N 3.27Å; A207-G211 PolarHBondContact O-N 3.06Å; A207-F263 HydrophobicContact CB-CE2 3.89Å; A207-F263 HydrophobicContact CB-CZ 4.45Å; A207-G267 WeakPolarHBondContact O-CA 3.13Å |
| 208 | L | 88.1 | Confident | 81.5 | Confident | 51 Ų | 51 | 19.6 Ų | 19.6 | 27% | 0.267 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -63.9 | -46.9 | 173.5 | -175.7 | 72.7 | 0 | 0 | 0 | 111.1 | S204 I205 H206 G211 L212 V266 | S204-L208 WeakPolarHBondContact O-CB 3.49Å; S204-L208 PolarHBondContact O-N 3.32Å; I205-L208 WeakPolarHBondContact O-CB 3.25Å; I205-L208 PolarHBondContact O-N 3.4Å; H206-L208 VanDerWaalsContact C-N 3.25Å; H206-L208 PolarHBondContact O-N 2.86Å; L208-G211 PolarHBondContact O-N 3.41Å; L208-L212 PolarHBondContact O-N 2.7Å; L208-V266 HydrophobicContact CB-CG1 3.78Å; L208-V266 HydrophobicContact CD1-CG1 4.1Å; L208-V266 HydrophobicContact CG-CG1 4.49Å |
| 209 | F | 83.4 | Confident | 81.3 | Confident | 39 Ų | 39 | 23.5 Ų | 23.5 | 17% | 0.171 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.8 | -43.5 | -178.9 | -64.1 | -30.8 | 0 | 0 | 0 | 112.4 | I205 H206 G211 L212 A213 L293 I296 A297 | I205-F209 HydrophobicContact CG2-CD2 4.1Å; I205-F209 HydrophobicContact CG2-CE2 3.48Å; I205-F209 VanDerWaalsContact CG2-CE2 3.48Å; I205-F209 HydrophobicContact CG2-CZ 3.79Å; I205-F209 PolarHBondContact O-N 2.83Å; H206-F209 PolarHBondContact O-N 2.86Å; H206-F209 VanDerWaalsContact O-N 3.13Å; F209-G211 VanDerWaalsContact C-N 3.32Å; F209-G211 PolarHBondContact O-N 2.81Å; F209-L212 PolarHBondContact O-N 3.27Å; F209-A213 PolarHBondContact O-N 3.1Å; F209-L293 HydrophobicContact CD1-CD2 3.84Å; F209-L293 HydrophobicContact CE1-CD2 4.16Å; F209-L293 HydrophobicContact CG-CD2 4.38Å; F209-I296 HydrophobicContact CD2-CG2 3.84Å; F209-I296 HydrophobicContact CE2-CG2 3.6Å; F209-I296 HydrophobicContact CZ-CG2 4.49Å; F209-A297 HydrophobicContact CB-CB 4.2Å |
| 210 | E | 79.9 | Confident | 81.2 | Confident | 13 Ų | 13 | 28.4 Ų | 28.4 | 6% | 0.061 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.7 | -41.2 | 173.3 | -69.5 | -165.6 | 144.8 | 0 | 0 | 112.1 | H206 A213 M214 L230 H233 A297 F301 | H206-E210 IonicContact CD2-OE2 3.94Å; H206-E210 IonicContact CE1-OE1 2.7Å; H206-E210 PolarHBondContact CE1-OE1 3.34Å; H206-E210 WeakPolarHBondContact NE2-CG 3.35Å; H206-E210 IonicContact NE2-OE1 2.73Å; H206-E210 PolarHBondContact NE2-OE1 3.14Å; H206-E210 IonicContact NE2-OE2 2.68Å; H206-E210 PolarHBondContact NE2-OE2 2.77Å; H206-E210 PolarHBondContact O-N 2.78Å; H206-E210 VanDerWaalsContact O-N 3.08Å; E210-A213 PolarHBondContact O-N 3.47Å; E210-M214 WeakPolarHBondContact O-CB 3.18Å; E210-M214 PolarHBondContact O-N 3.39Å; E210-L230 HydrophobicContact CB-CD2 4.13Å; E210-L230 WeakPolarHBondContact OE2-CD2 3.46Å; E210-H233 IonicContact OE1-CE1 3.39Å; E210-H233 IonicContact OE1-NE2 3.51Å; E210-H233 PolarHBondContact OE1-NE2 3.43Å; E210-H233 IonicContact OE2-NE2 3.84Å; E210-A297 HydrophobicContact CG-CB 4.24Å; E210-F301 VanDerWaalsContact OE1-CE2 3.24Å; E210-F301 WeakPolarHBondContact OE1-CE2 3.2Å |
| 211 | G | 84.6 | Confident | 80.6 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.2 | -47.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A207 L208 F209 A213 M214 G215 G267 G270 G271 | A207-G211 PolarHBondContact O-N 3.06Å; L208-G211 PolarHBondContact O-N 3.41Å; F209-G211 VanDerWaalsContact C-N 3.32Å; F209-G211 PolarHBondContact O-N 2.81Å; G211-A213 PolarHBondContact O-N 2.9Å; G211-M214 WeakPolarHBondContact O-CB 3.35Å; G211-M214 PolarHBondContact O-N 3.41Å; G211-G215 PolarHBondContact O-N 2.96Å; G211-G267 WeakPolarHBondContact CA-O 3.37Å; G211-G270 CarbonylContact O-C 3.54Å; G211-G271 VanDerWaalsContact C-N 3.31Å; G211-G271 WeakPolarHBondContact O-CA 3.48Å; G211-G271 PolarHBondContact O-N 3.25Å |
| 212 | L | 85.1 | Confident | 80 | Confident | 22 Ų | 22 | 29.5 Ų | 29.5 | 12% | 0.115 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.7 | -45.4 | 178.8 | -157.5 | 94.9 | 0 | 0 | 0 | 111.7 | L208 F209 M214 G215 L216 G270 I273 L277 L293 | L208-L212 PolarHBondContact O-N 2.7Å; F209-L212 PolarHBondContact O-N 3.27Å; L212-M214 VanDerWaalsContact C-N 3.34Å; L212-M214 PolarHBondContact O-N 3.08Å; L212-G215 PolarHBondContact O-N 3.46Å; L212-L216 HydrophobicContact CD2-CD1 3.98Å; L212-L216 HydrophobicContact CG-CD1 4.22Å; L212-L216 VanDerWaalsContact O-CG 3.31Å; L212-L216 WeakPolarHBondContact O-CG 3.42Å; L212-L216 PolarHBondContact O-N 3.13Å; L212-G270 VanDerWaalsContact CA-O 3.3Å; L212-G270 WeakPolarHBondContact CA-O 3.23Å; L212-G270 PolarHBondContact N-O 2.9Å; L212-I273 HydrophobicContact CD1-CB 3.66Å; L212-I273 HydrophobicContact CD1-CG2 3.45Å; L212-I273 VanDerWaalsContact CD1-CG2 3.45Å; L212-L277 HydrophobicContact CD2-CD2 4.35Å; L212-L293 HydrophobicContact CB-CD1 4.49Å; L212-L293 HydrophobicContact CD2-CD1 3.13Å; L212-L293 HydrophobicContact CG-CD1 4.31Å |
| 213 | A | 80.4 | Confident | 79.7 | Confident | 9 Ų | 9 | 29.5 Ų | 29.5 | 7% | 0.074 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.5 | -46.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | F209 E210 G211 G215 L216 I217 T290 | F209-A213 PolarHBondContact O-N 3.1Å; E210-A213 PolarHBondContact O-N 3.47Å; G211-A213 PolarHBondContact O-N 2.9Å; A213-G215 VanDerWaalsContact C-N 3.29Å; A213-G215 PolarHBondContact O-N 2.97Å; A213-L216 PolarHBondContact O-N 3.44Å; A213-I217 WeakPolarHBondContact O-CG1 3.26Å; A213-I217 PolarHBondContact O-N 3.2Å; A213-T290 HydrophobicContact CB-CG2 4Å |
| 214 | M | 82.9 | Confident | 79.5 | Confident | 8 Ų | 8 | 34.6 Ų | 34.6 | 4% | 0.039 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.6 | -39 | 176.7 | -169.7 | -173.5 | 176.8 | 0 | 0 | 112.9 | L31 I32 L35 E210 G211 L212 F227 L230 | L31-M214 HydrophobicContact CB-CE 3.52Å; L31-M214 HydrophobicContact CD1-CE 4.31Å; I32-M214 HydrophobicContact CG1-SD 4.39Å; L35-M214 HydrophobicContact CD1-CE 4.49Å; L35-M214 HydrophobicContact CD1-SD 4.27Å; E210-M214 WeakPolarHBondContact O-CB 3.18Å; E210-M214 PolarHBondContact O-N 3.39Å; G211-M214 WeakPolarHBondContact O-CB 3.35Å; G211-M214 PolarHBondContact O-N 3.41Å; L212-M214 VanDerWaalsContact C-N 3.34Å; L212-M214 PolarHBondContact O-N 3.08Å; M214-F227 HydrophobicContact CE-CB 3.95Å; M214-F227 HydrophobicContact CE-CD2 3.6Å; M214-F227 HydrophobicContact CE-CG 4.22Å; M214-L230 HydrophobicContact CB-CD1 4.28Å; M214-L230 HydrophobicContact CG-CD1 4.16Å; M214-L230 HydrophobicContact SD-CD1 3.87Å |
| 215 | G | 82.1 | Confident | 78.8 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.4 | -30.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | K28 G211 L212 A213 | K28-G215 PolarHBondContact NZ-O 2.91Å; G211-G215 PolarHBondContact O-N 2.96Å; L212-G215 PolarHBondContact O-N 3.46Å; A213-G215 VanDerWaalsContact C-N 3.29Å; A213-G215 PolarHBondContact O-N 2.97Å |
| 216 | L | 80.7 | Confident | 78.3 | Confident | 10 Ų | 10 | 39.2 Ų | 39.2 | 5% | 0.052 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -81 | -23 | -178.3 | -72.9 | 168.2 | 0 | 0 | 0 | 114 | L212 A213 G218 L277 I289 T290 L293 | L212-L216 HydrophobicContact CD2-CD1 3.98Å; L212-L216 HydrophobicContact CG-CD1 4.22Å; L212-L216 VanDerWaalsContact O-CG 3.31Å; L212-L216 WeakPolarHBondContact O-CG 3.42Å; L212-L216 PolarHBondContact O-N 3.13Å; A213-L216 PolarHBondContact O-N 3.44Å; L216-G218 PolarHBondContact O-N 2.81Å; L216-L277 HydrophobicContact CD2-CB 4.16Å; L216-L277 HydrophobicContact CD2-CD2 4.21Å; L216-L277 HydrophobicContact CD2-CG 4.18Å; L216-I289 HydrophobicContact CD1-CG2 4.06Å; L216-T290 WeakPolarHBondContact CB-OG1 3.41Å; L216-L293 HydrophobicContact CD1-CD1 4.46Å |
| 217 | I | 77.2 | Confident | 78.1 | Confident | 13 Ų | 13 | 40.5 Ų | 40.5 | 7% | 0.067 | 21% | 0.213 | C | C | . | . | trans | -57.8 | 122.3 | -177.9 | -66.7 | 156.9 | 0 | 0 | 0 | 111.5 | K28 A213 T222 A223 I226 | K28-I217 WeakPolarHBondContact CE-O 3.31Å; K28-I217 PolarHBondContact NZ-O 3.47Å; A213-I217 WeakPolarHBondContact O-CG1 3.26Å; A213-I217 PolarHBondContact O-N 3.2Å; I217-T222 HydrophobicContact CG2-CG2 4.3Å; I217-A223 HydrophobicContact CG2-CB 4.17Å; I217-I226 HydrophobicContact CD1-CB 4.07Å; I217-I226 HydrophobicContact CD1-CD1 3.43Å; I217-I226 VanDerWaalsContact CD1-CD1 3.43Å; I217-I226 HydrophobicContact CD1-CG1 4.29Å; I217-I226 HydrophobicContact CD1-CG2 3.95Å; I217-I226 HydrophobicContact CG1-CD1 4.24Å | ||
| 218 | G | 69.6 | Low | 77.6 | Confident | 58 Ų | 58 | 43 Ų | 43 | 60% | 0.598 | 23% | 0.233 | S | C | * | . | trans | -85.3 | -6.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | I24 L216 | I24-G218 WeakPolarHBondContact CD1-O 3.49Å; L216-G218 PolarHBondContact O-N 2.81Å | ||
| 219 | Q | 71.4 | Confident | 76.9 | Confident | 107 Ų | 107 | 42 Ų | 42 | 50% | 0.5 | 23% | 0.232 | S | C | . | . | trans | -118.6 | 131.7 | -170.2 | -64 | -177.2 | 9.3 | 0 | 0 | 112.2 | T221 T222 A223 | Q219-T221 PolarHBondContact O-N 2.65Å; Q219-T222 PolarHBondContact O-N 2.95Å; Q219-T222 PolarHBondContact OE1-OG1 3.43Å; Q219-A223 VanDerWaalsContact O-CB 3.28Å; Q219-A223 WeakPolarHBondContact O-CB 3.45Å; Q219-A223 PolarHBondContact O-N 2.97Å | ||
| 220 | Y | 74.1 | Confident | 76.7 | Confident | 110 Ų | 110 | 40.5 Ų | 40.5 | 43% | 0.431 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.5 | -44.8 | -179.4 | -65.7 | -84.6 | 0 | 0 | 0 | 112.9 | I24 V27 T222 A223 F224 | I24-Y220 VanDerWaalsContact CA-CE1 3.5Å; I24-Y220 WeakPolarHBondContact CA-OH 3.4Å; I24-Y220 HydrophobicContact CB-CD1 4.42Å; I24-Y220 HydrophobicContact CB-CE1 3.64Å; I24-Y220 HydrophobicContact CB-CE2 4.16Å; I24-Y220 VanDerWaalsContact CB-CZ 3.47Å; I24-Y220 WeakPolarHBondContact CB-OH 3.44Å; I24-Y220 HydrophobicContact CD1-CD1 4.16Å; I24-Y220 HydrophobicContact CD1-CD2 3.95Å; I24-Y220 HydrophobicContact CD1-CE1 4.14Å; I24-Y220 HydrophobicContact CD1-CE2 3.92Å; I24-Y220 HydrophobicContact CD1-CG 4.07Å; I24-Y220 HydrophobicContact CG1-CD1 3.82Å; I24-Y220 HydrophobicContact CG1-CD2 4.41Å; I24-Y220 HydrophobicContact CG1-CE1 3.54Å; I24-Y220 HydrophobicContact CG1-CE2 4.16Å; I24-Y220 HydrophobicContact CG1-CG 4.26Å; I24-Y220 PolarHBondContact N-OH 3.1Å; V27-Y220 HydrophobicContact CB-CD1 4.36Å; V27-Y220 HydrophobicContact CB-CE1 4.19Å; V27-Y220 HydrophobicContact CG1-CD1 4.34Å; V27-Y220 HydrophobicContact CG2-CD1 4.32Å; V27-Y220 HydrophobicContact CG2-CE1 3.9Å; Y220-T222 PolarHBondContact O-N 3.39Å; Y220-A223 PolarHBondContact O-N 3.32Å; Y220-F224 WeakPolarHBondContact O-CD2 3.36Å; Y220-F224 PolarHBondContact O-N 3.47Å |
| 221 | T | 70.4 | Confident | 76.8 | Confident | 78 Ų | 78 | 41 Ų | 41 | 48% | 0.479 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.6 | -46.3 | -178.5 | 45.4 | 0 | 0 | 0 | 0 | 111.3 | Q219 F224 Q225 | Q219-T221 PolarHBondContact O-N 2.65Å; T221-F224 PolarHBondContact O-N 3.34Å; T221-Q225 WeakPolarHBondContact O-CB 3.26Å; T221-Q225 PolarHBondContact O-N 3.17Å |
| 222 | T | 69.5 | Low | 76.4 | Confident | 40 Ų | 40 | 45.1 Ų | 45.1 | 25% | 0.245 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.9 | -39.1 | 178.2 | -39.2 | 0 | 0 | 0 | 0 | 110.8 | I217 Q219 Y220 F224 Q225 I226 | I217-T222 HydrophobicContact CG2-CG2 4.3Å; Q219-T222 PolarHBondContact O-N 2.95Å; Q219-T222 PolarHBondContact OE1-OG1 3.43Å; Y220-T222 PolarHBondContact O-N 3.39Å; T222-F224 PolarHBondContact O-N 2.89Å; T222-Q225 PolarHBondContact O-N 2.84Å; T222-I226 HydrophobicContact CG2-CD1 3.83Å; T222-I226 HydrophobicContact CG2-CG1 4.4Å; T222-I226 WeakPolarHBondContact O-CB 3.43Å; T222-I226 WeakPolarHBondContact O-CG1 3.38Å; T222-I226 PolarHBondContact O-N 3.44Å |
| 223 | A | 74.7 | Confident | 75.9 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 3% | 0.025 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.1 | -41.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | L31 I217 Q219 Y220 F227 | L31-A223 HydrophobicContact CD1-CB 4.49Å; I217-A223 HydrophobicContact CG2-CB 4.17Å; Q219-A223 VanDerWaalsContact O-CB 3.28Å; Q219-A223 WeakPolarHBondContact O-CB 3.45Å; Q219-A223 PolarHBondContact O-N 2.97Å; Y220-A223 PolarHBondContact O-N 3.32Å; A223-F227 WeakPolarHBondContact O-CB 3.42Å; A223-F227 PolarHBondContact O-N 3.42Å |
| 224 | F | 76.6 | Confident | 75.9 | Confident | 110 Ų | 110 | 44 Ų | 44 | 48% | 0.482 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -70.5 | -37.5 | 175.7 | -82.1 | -69.6 | 0 | 0 | 0 | 112.9 | V27 L31 Y220 T221 T222 A228 | V27-F224 HydrophobicContact CG1-CE2 3.96Å; V27-F224 HydrophobicContact CG1-CZ 3.77Å; L31-F224 HydrophobicContact CD1-CD1 4.19Å; L31-F224 HydrophobicContact CD1-CE1 4.19Å; L31-F224 HydrophobicContact CD2-CD1 4.03Å; L31-F224 HydrophobicContact CD2-CE1 3.73Å; L31-F224 HydrophobicContact CG-CE1 4.39Å; Y220-F224 WeakPolarHBondContact O-CD2 3.36Å; Y220-F224 PolarHBondContact O-N 3.47Å; T221-F224 PolarHBondContact O-N 3.34Å; T222-F224 PolarHBondContact O-N 2.89Å; F224-A228 WeakPolarHBondContact O-CB 3.43Å; F224-A228 PolarHBondContact O-N 2.78Å |
| 225 | Q | 72 | Confident | 75.8 | Confident | 113 Ų | 113 | 45.2 Ų | 45.2 | 53% | 0.528 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64 | -51.3 | 176.1 | -180 | 178 | -15.4 | 0 | 0 | 111 | T221 T222 F227 A228 A229 | T221-Q225 WeakPolarHBondContact O-CB 3.26Å; T221-Q225 PolarHBondContact O-N 3.17Å; T222-Q225 PolarHBondContact O-N 2.84Å; Q225-F227 VanDerWaalsContact C-N 3.32Å; Q225-F227 PolarHBondContact O-N 2.87Å; Q225-A228 PolarHBondContact O-N 3.17Å; Q225-A229 PolarHBondContact O-N 3.28Å |
| 226 | I | 73.1 | Confident | 75.7 | Confident | 32 Ų | 32 | 47.3 Ų | 47.3 | 16% | 0.164 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.3 | -38.7 | 178.2 | -70.9 | 177.2 | 0 | 0 | 0 | 110.4 | I217 T222 A228 A229 L230 | I217-I226 HydrophobicContact CD1-CB 4.07Å; I217-I226 HydrophobicContact CD1-CD1 3.43Å; I217-I226 VanDerWaalsContact CD1-CD1 3.43Å; I217-I226 HydrophobicContact CD1-CG1 4.29Å; I217-I226 HydrophobicContact CD1-CG2 3.95Å; I217-I226 HydrophobicContact CG1-CD1 4.24Å; T222-I226 HydrophobicContact CG2-CD1 3.83Å; T222-I226 HydrophobicContact CG2-CG1 4.4Å; T222-I226 WeakPolarHBondContact O-CB 3.43Å; T222-I226 WeakPolarHBondContact O-CG1 3.38Å; T222-I226 PolarHBondContact O-N 3.44Å; I226-A228 PolarHBondContact O-N 3.28Å; I226-A229 PolarHBondContact O-N 3.29Å; I226-L230 HydrophobicContact CG2-CD1 3.49Å; I226-L230 VanDerWaalsContact CG2-CD1 3.49Å; I226-L230 HydrophobicContact CG2-CG 4.18Å; I226-L230 VanDerWaalsContact O-CB 3.29Å; I226-L230 WeakPolarHBondContact O-CB 3.49Å; I226-L230 WeakPolarHBondContact O-CD1 3.24Å; I226-L230 VanDerWaalsContact O-CG 3.27Å; I226-L230 WeakPolarHBondContact O-CG 3.49Å; I226-L230 PolarHBondContact O-N 2.97Å |
| 227 | F | 79.2 | Confident | 75.5 | Confident | 32 Ų | 32 | 47.1 Ų | 47.1 | 14% | 0.14 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.1 | -45.7 | 172.5 | 173.2 | -104.3 | 0 | 0 | 0 | 113 | L31 C34 L35 M214 A223 Q225 L230 C231 | L31-F227 HydrophobicContact CB-CD2 3.92Å; L31-F227 HydrophobicContact CB-CE2 4.18Å; L31-F227 HydrophobicContact CB-CG 4.4Å; L31-F227 HydrophobicContact CD1-CB 4.29Å; L31-F227 HydrophobicContact CD1-CG 4.45Å; L31-F227 HydrophobicContact CD2-CB 4.41Å; L31-F227 HydrophobicContact CD2-CD1 3.71Å; L31-F227 HydrophobicContact CD2-CD2 3.93Å; L31-F227 HydrophobicContact CD2-CE1 3.84Å; L31-F227 HydrophobicContact CD2-CE2 4.03Å; L31-F227 HydrophobicContact CD2-CG 3.74Å; L31-F227 HydrophobicContact CD2-CZ 3.99Å; L31-F227 HydrophobicContact CG-CD2 4.41Å; L31-F227 HydrophobicContact CG-CG 4.42Å; L31-F227 VanDerWaalsContact O-CE2 3.29Å; L31-F227 WeakPolarHBondContact O-CE2 3.42Å; C34-F227 HydrophobicContact CB-CE2 4.19Å; C34-F227 HydrophobicContact CB-CZ 3.97Å; L35-F227 HydrophobicContact CB-CE2 4.11Å; L35-F227 HydrophobicContact CD1-CD2 3.56Å; L35-F227 HydrophobicContact CD1-CE2 3.71Å; L35-F227 HydrophobicContact CG-CE2 4.46Å; M214-F227 HydrophobicContact CE-CB 3.95Å; M214-F227 HydrophobicContact CE-CD2 3.6Å; M214-F227 HydrophobicContact CE-CG 4.22Å; A223-F227 WeakPolarHBondContact O-CB 3.42Å; A223-F227 PolarHBondContact O-N 3.42Å; Q225-F227 VanDerWaalsContact C-N 3.32Å; Q225-F227 PolarHBondContact O-N 2.87Å; F227-L230 PolarHBondContact O-N 2.95Å; F227-C231 WeakPolarHBondContact CE2-SG 3.39Å; F227-C231 WeakPolarHBondContact CZ-SG 3.49Å; F227-C231 PolarHBondContact O-N 3.32Å; F227-C231 PolarHBondContact O-SG 2.81Å |
| 228 | A | 74.4 | Confident | 75.8 | Confident | 52 Ų | 52 | 46.5 Ų | 46.5 | 43% | 0.43 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.3 | -43.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | F224 Q225 I226 C231 I232 | F224-A228 WeakPolarHBondContact O-CB 3.43Å; F224-A228 PolarHBondContact O-N 2.78Å; Q225-A228 PolarHBondContact O-N 3.17Å; I226-A228 PolarHBondContact O-N 3.28Å; A228-C231 PolarHBondContact O-N 3.47Å; A228-I232 WeakPolarHBondContact O-CG1 3.46Å; A228-I232 PolarHBondContact O-N 3.38Å |
| 229 | A | 74.7 | Confident | 76.5 | Confident | 30 Ų | 30 | 45.2 Ų | 45.2 | 25% | 0.248 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.4 | -46.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q225 I226 C231 I232 H233 | Q225-A229 PolarHBondContact O-N 3.28Å; I226-A229 PolarHBondContact O-N 3.29Å; A229-C231 PolarHBondContact O-N 3.4Å; A229-I232 PolarHBondContact O-N 3.05Å; A229-H233 PolarHBondContact O-N 2.94Å; A229-H233 PolarHBondContact O-ND1 3.19Å |
| 230 | L | 77.3 | Confident | 76.8 | Confident | 8 Ų | 8 | 41.1 Ų | 41.1 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.7 | -43.2 | 176 | -77.4 | 158.1 | 0 | 0 | 0 | 112.7 | L35 E210 M214 I226 F227 I232 H233 R234 | L35-L230 HydrophobicContact CD1-CB 3.8Å; E210-L230 HydrophobicContact CB-CD2 4.13Å; E210-L230 WeakPolarHBondContact OE2-CD2 3.46Å; M214-L230 HydrophobicContact CB-CD1 4.28Å; M214-L230 HydrophobicContact CG-CD1 4.16Å; M214-L230 HydrophobicContact SD-CD1 3.87Å; I226-L230 HydrophobicContact CG2-CD1 3.49Å; I226-L230 VanDerWaalsContact CG2-CD1 3.49Å; I226-L230 HydrophobicContact CG2-CG 4.18Å; I226-L230 VanDerWaalsContact O-CB 3.29Å; I226-L230 WeakPolarHBondContact O-CB 3.49Å; I226-L230 WeakPolarHBondContact O-CD1 3.24Å; I226-L230 VanDerWaalsContact O-CG 3.27Å; I226-L230 WeakPolarHBondContact O-CG 3.49Å; I226-L230 PolarHBondContact O-N 2.97Å; F227-L230 PolarHBondContact O-N 2.95Å; L230-I232 VanDerWaalsContact C-N 3.26Å; L230-I232 PolarHBondContact O-N 3.02Å; L230-H233 WeakPolarHBondContact CA-CE1 3.42Å; L230-R234 WeakPolarHBondContact O-CA 3.34Å; L230-R234 WeakPolarHBondContact O-CB 3.45Å; L230-R234 PolarHBondContact O-N 2.9Å |
| 231 | C | 82.1 | Confident | 77.1 | Confident | 24 Ų | 24 | 36 Ų | 36 | 16% | 0.162 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.9 | -39.9 | -180 | -74.1 | 0 | 0 | 0 | 0 | 112.1 | F227 A228 A229 S235 | F227-C231 WeakPolarHBondContact CE2-SG 3.39Å; F227-C231 WeakPolarHBondContact CZ-SG 3.49Å; F227-C231 PolarHBondContact O-N 3.32Å; F227-C231 PolarHBondContact O-SG 2.81Å; A228-C231 PolarHBondContact O-N 3.47Å; A229-C231 PolarHBondContact O-N 3.4Å; C231-S235 VanDerWaalsContact O-CB 3.24Å; C231-S235 WeakPolarHBondContact O-CB 3.25Å; C231-S235 PolarHBondContact O-N 2.96Å; C231-S235 PolarHBondContact O-OG 2.97Å |
| 232 | I | 77.1 | Confident | 77.7 | Confident | 88 Ų | 88 | 32.3 Ų | 32.3 | 45% | 0.451 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -68.5 | -58.9 | -178.6 | -64.2 | 168.8 | 0 | 0 | 0 | 110.1 | A228 A229 L230 S235 L236 | A228-I232 WeakPolarHBondContact O-CG1 3.46Å; A228-I232 PolarHBondContact O-N 3.38Å; A229-I232 PolarHBondContact O-N 3.05Å; L230-I232 VanDerWaalsContact C-N 3.26Å; L230-I232 PolarHBondContact O-N 3.02Å; I232-S235 PolarHBondContact O-OG 3.32Å; I232-L236 WeakPolarHBondContact O-CG 3.27Å; I232-L236 PolarHBondContact O-N 2.91Å |
| 233 | H | 74.3 | Confident | 78 | Confident | 5 Ų | 5 | 31.6 Ų | 31.6 | 2% | 0.023 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -73.1 | -35.3 | -173.5 | 72.5 | -107.3 | 0 | 0 | 0 | 111.8 | F80 T83 E210 A229 L230 S235 L236 V237 F301 | F80-H233 HydrophobicContact CE1-CB 4.31Å; T83-H233 HydrophobicContact CG2-CB 4.47Å; E210-H233 IonicContact OE1-CE1 3.39Å; E210-H233 IonicContact OE1-NE2 3.51Å; E210-H233 PolarHBondContact OE1-NE2 3.43Å; E210-H233 IonicContact OE2-NE2 3.84Å; A229-H233 PolarHBondContact O-N 2.94Å; A229-H233 PolarHBondContact O-ND1 3.19Å; L230-H233 WeakPolarHBondContact CA-CE1 3.42Å; H233-S235 PolarHBondContact O-N 3.5Å; H233-L236 WeakPolarHBondContact O-CB 3.19Å; H233-L236 PolarHBondContact O-N 2.98Å; H233-L236 VanDerWaalsContact O-N 3.14Å; H233-V237 WeakPolarHBondContact O-CG2 3.16Å; H233-V237 PolarHBondContact O-N 2.85Å; H233-F301 AromaticContact CD2-CZ 3.74Å |
| 234 | R | 79.6 | Confident | 78 | Confident | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.015 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -74.6 | -28.3 | -176.1 | -158.5 | 169.3 | 158.5 | 173.2 | -16.8 | 113.1 | T39 L230 L236 V237 A238 | T39-R234 HydrophobicContact CG2-CB 4.23Å; T39-R234 HydrophobicContact CG2-CG 3.65Å; L230-R234 WeakPolarHBondContact O-CA 3.34Å; L230-R234 WeakPolarHBondContact O-CB 3.45Å; L230-R234 PolarHBondContact O-N 2.9Å; R234-L236 VanDerWaalsContact C-N 3.33Å; R234-V237 PolarHBondContact O-N 3.3Å; R234-A238 WeakPolarHBondContact O-CB 3.2Å; R234-A238 PolarHBondContact O-N 3.44Å |
| 235 | S | 82.1 | Confident | 78.2 | Confident | 32 Ų | 32 | 27.8 Ų | 27.8 | 22% | 0.224 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.9 | -37.1 | 168.5 | 62.3 | 0 | 0 | 0 | 0 | 111.8 | S42 C231 I232 H233 F239 | S42-S235 WeakPolarHBondContact CB-O 3.39Å; C231-S235 VanDerWaalsContact O-CB 3.24Å; C231-S235 WeakPolarHBondContact O-CB 3.25Å; C231-S235 PolarHBondContact O-N 2.96Å; C231-S235 PolarHBondContact O-OG 2.97Å; I232-S235 PolarHBondContact O-OG 3.32Å; H233-S235 PolarHBondContact O-N 3.5Å; S235-F239 VanDerWaalsContact O-CB 3.27Å; S235-F239 WeakPolarHBondContact O-CB 3.43Å; S235-F239 PolarHBondContact O-N 3.05Å |
| 236 | L | 78.7 | Confident | 78.4 | Confident | 45 Ų | 45 | 24 Ų | 24 | 24% | 0.236 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67 | -41.5 | 173.1 | -65.2 | 170.1 | 0 | 0 | 0 | 112 | V79 F80 I232 H233 R234 F239 S240 | V79-L236 HydrophobicContact CB-CD1 4.27Å; V79-L236 HydrophobicContact CG1-CD1 3.79Å; V79-L236 HydrophobicContact CG2-CD1 4.34Å; F80-L236 HydrophobicContact CZ-CB 4.04Å; I232-L236 WeakPolarHBondContact O-CG 3.27Å; I232-L236 PolarHBondContact O-N 2.91Å; H233-L236 WeakPolarHBondContact O-CB 3.19Å; H233-L236 PolarHBondContact O-N 2.98Å; H233-L236 VanDerWaalsContact O-N 3.14Å; R234-L236 VanDerWaalsContact C-N 3.33Å; L236-F239 PolarHBondContact O-N 3.44Å; L236-S240 WeakPolarHBondContact O-CB 3.36Å; L236-S240 PolarHBondContact O-N 3.48Å; L236-S240 PolarHBondContact O-OG 3.06Å |
| 237 | V | 77.7 | Confident | 78.3 | Confident | 6 Ų | 6 | 26.4 Ų | 26.4 | 4% | 0.036 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.6 | -53.2 | 177.1 | 178 | 0 | 0 | 0 | 0 | 109.1 | F80 L203 H233 R234 F239 S240 L241 F263 F301 | F80-V237 HydrophobicContact CD1-CG2 4.16Å; F80-V237 HydrophobicContact CE1-CB 4.3Å; F80-V237 HydrophobicContact CE1-CG2 3.13Å; F80-V237 HydrophobicContact CE2-CG2 4.34Å; F80-V237 HydrophobicContact CZ-CB 3.99Å; F80-V237 HydrophobicContact CZ-CG2 3.25Å; L203-V237 HydrophobicContact CD1-CG1 4.07Å; L203-V237 HydrophobicContact CD2-CG1 3.68Å; L203-V237 HydrophobicContact CG-CG1 4.46Å; H233-V237 WeakPolarHBondContact O-CG2 3.16Å; H233-V237 PolarHBondContact O-N 2.85Å; R234-V237 PolarHBondContact O-N 3.3Å; V237-F239 VanDerWaalsContact C-N 3.29Å; V237-F239 PolarHBondContact O-N 2.89Å; V237-S240 PolarHBondContact O-N 3.33Å; V237-S240 VanDerWaalsContact O-N 3.12Å; V237-S240 PolarHBondContact O-OG 3.3Å; V237-L241 PolarHBondContact O-N 3.43Å; V237-F263 HydrophobicContact CG1-CZ 3.91Å; V237-F301 HydrophobicContact CG2-CE1 3.91Å; V237-F301 HydrophobicContact CG2-CZ 4.12Å |
| 238 | A | 84.1 | Confident | 78 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -55.6 | -45.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | T39 S42 S43 R234 L241 G242 F263 | T39-A238 WeakPolarHBondContact O-CB 3.41Å; S42-A238 VanDerWaalsContact OG-CB 3.26Å; S42-A238 WeakPolarHBondContact OG-CB 3.32Å; S43-A238 VanDerWaalsContact CA-O 3.27Å; S43-A238 WeakPolarHBondContact CA-O 3.38Å; S43-A238 WeakPolarHBondContact CB-O 3.47Å; R234-A238 WeakPolarHBondContact O-CB 3.2Å; R234-A238 PolarHBondContact O-N 3.44Å; A238-L241 PolarHBondContact O-N 3.5Å; A238-G242 PolarHBondContact O-N 3.43Å; A238-F263 HydrophobicContact CB-CE1 3.98Å |
| 239 | F | 83.7 | Confident | 77.5 | Confident | 30 Ų | 30 | 33.3 Ų | 33.3 | 13% | 0.132 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.4 | -44.5 | 176.5 | 174.3 | -97.3 | 0 | 0 | 0 | 112.7 | S42 F45 P46 F69 L72 S235 L236 V237 L241 G242 L243 | S42-F239 WeakPolarHBondContact O-CA 3.49Å; F45-F239 AromaticContact CD1-CD2 3.98Å; F45-F239 HydrophobicContact CD1-CD2 3.98Å; F45-F239 AromaticContact CD1-CE2 3.7Å; F45-F239 HydrophobicContact CD1-CE2 3.7Å; F45-F239 HydrophobicContact CE1-CE2 4.17Å; P46-F239 HydrophobicContact CG-CD2 3.67Å; P46-F239 HydrophobicContact CG-CE2 3.96Å; P46-F239 HydrophobicContact CG-CG 4.39Å; P46-F239 WeakPolarHBondContact CG-O 3.31Å; F69-F239 HydrophobicContact CD1-CE1 4.48Å; F69-F239 HydrophobicContact CD1-CZ 4.13Å; F69-F239 HydrophobicContact CE1-CE1 4.46Å; F69-F239 HydrophobicContact CE1-CE2 4.4Å; F69-F239 AromaticContact CE1-CZ 3.69Å; F69-F239 HydrophobicContact CE1-CZ 3.69Å; L72-F239 HydrophobicContact CD2-CD1 4.36Å; L72-F239 HydrophobicContact CD2-CE1 3.46Å; L72-F239 VanDerWaalsContact CD2-CE1 3.46Å; L72-F239 HydrophobicContact CD2-CZ 3.87Å; S235-F239 VanDerWaalsContact O-CB 3.27Å; S235-F239 WeakPolarHBondContact O-CB 3.43Å; S235-F239 PolarHBondContact O-N 3.05Å; L236-F239 PolarHBondContact O-N 3.44Å; V237-F239 VanDerWaalsContact C-N 3.29Å; V237-F239 PolarHBondContact O-N 2.89Å; F239-L241 VanDerWaalsContact C-N 3.35Å; F239-L241 PolarHBondContact O-N 3.36Å; F239-G242 PolarHBondContact O-N 3.49Å; F239-L243 HydrophobicContact CD1-CD1 3.91Å; F239-L243 HydrophobicContact CE1-CD1 3.37Å; F239-L243 HydrophobicContact CE1-CG 4.29Å; F239-L243 HydrophobicContact CE2-CD1 4.47Å; F239-L243 HydrophobicContact CZ-CD1 3.75Å; F239-L243 HydrophobicContact CZ-CG 4.36Å; F239-L243 PolarHBondContact O-N 2.86Å; F239-L243 VanDerWaalsContact O-N 3.08Å |
| 240 | S | 76.7 | Confident | 77.1 | Confident | 22 Ų | 22 | 38.4 Ų | 38.4 | 15% | 0.154 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.9 | -37.9 | 178 | 72.7 | 0 | 0 | 0 | 0 | 112.9 | L236 V237 L243 R244 | L236-S240 WeakPolarHBondContact O-CB 3.36Å; L236-S240 PolarHBondContact O-N 3.48Å; L236-S240 PolarHBondContact O-OG 3.06Å; V237-S240 PolarHBondContact O-N 3.33Å; V237-S240 VanDerWaalsContact O-N 3.12Å; V237-S240 PolarHBondContact O-OG 3.3Å; S240-L243 PolarHBondContact O-N 3.24Å; S240-R244 PolarHBondContact O-N 3.13Å; S240-R244 VanDerWaalsContact O-N 3.1Å |
| 241 | L | 81.6 | Confident | 76.9 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.7 | -47.1 | 173.9 | 173.9 | 59.3 | 0 | 0 | 0 | 111.1 | L199 V200 L203 V237 A238 F239 L243 R244 L245 F263 | L199-L241 HydrophobicContact CD1-CD1 4.46Å; L199-L241 HydrophobicContact CD2-CD1 4.04Å; L199-L241 HydrophobicContact CG-CD1 3.95Å; V200-L241 HydrophobicContact CG2-CD1 3.91Å; L203-L241 HydrophobicContact CD1-CB 3.95Å; L203-L241 HydrophobicContact CD1-CD1 4Å; L203-L241 HydrophobicContact CD1-CD2 4.1Å; L203-L241 HydrophobicContact CD1-CG 4.22Å; V237-L241 PolarHBondContact O-N 3.43Å; A238-L241 PolarHBondContact O-N 3.5Å; F239-L241 VanDerWaalsContact C-N 3.35Å; F239-L241 PolarHBondContact O-N 3.36Å; L241-L243 VanDerWaalsContact C-N 3.27Å; L241-L243 PolarHBondContact O-N 3.47Å; L241-R244 PolarHBondContact O-N 2.93Å; L241-L245 HydrophobicContact CD1-CD1 3.96Å; L241-L245 HydrophobicContact CD1-CG 3.93Å; L241-L245 HydrophobicContact CG-CD1 4.06Å; L241-L245 HydrophobicContact CG-CG 4.43Å; L241-L245 WeakPolarHBondContact O-CG 3.35Å; L241-L245 PolarHBondContact O-N 2.81Å; L241-F263 HydrophobicContact CD2-CB 3.95Å; L241-F263 HydrophobicContact CD2-CD1 3.8Å; L241-F263 HydrophobicContact CD2-CD2 4.07Å; L241-F263 HydrophobicContact CD2-CE1 4.34Å; L241-F263 HydrophobicContact CD2-CG 3.64Å |
| 242 | G | 81.7 | Confident | 76.8 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.3 | -39.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A238 F239 I246 | A238-G242 PolarHBondContact O-N 3.43Å; F239-G242 PolarHBondContact O-N 3.49Å; G242-I246 VanDerWaalsContact O-CD1 3.28Å; G242-I246 WeakPolarHBondContact O-CD1 3.45Å; G242-I246 WeakPolarHBondContact O-CG1 3.47Å; G242-I246 PolarHBondContact O-N 3.43Å |
| 243 | L | 76.7 | Confident | 77.1 | Confident | 26 Ų | 26 | 39.1 Ų | 39.1 | 14% | 0.136 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.4 | -45 | 175 | -72.3 | 171 | 0 | 0 | 0 | 112.8 | P46 F69 F239 S240 L241 I246 S247 | P46-L243 HydrophobicContact CB-CD2 3.88Å; P46-L243 HydrophobicContact CB-CG 4.11Å; P46-L243 HydrophobicContact CG-CD2 4.21Å; P46-L243 HydrophobicContact CG-CG 3.98Å; F69-L243 HydrophobicContact CB-CD1 4.48Å; F69-L243 HydrophobicContact CD1-CD1 3.41Å; F69-L243 VanDerWaalsContact CD1-CD1 3.41Å; F69-L243 HydrophobicContact CD1-CD2 3.51Å; F69-L243 HydrophobicContact CD1-CG 4.12Å; F69-L243 HydrophobicContact CD2-CD2 4.13Å; F69-L243 HydrophobicContact CE1-CD1 3.83Å; F69-L243 HydrophobicContact CE1-CD2 3.3Å; F69-L243 HydrophobicContact CE1-CG 4.17Å; F69-L243 HydrophobicContact CE2-CD2 3.92Å; F69-L243 HydrophobicContact CG-CD1 4.14Å; F69-L243 HydrophobicContact CG-CD2 3.94Å; F69-L243 HydrophobicContact CZ-CD2 3.52Å; F239-L243 HydrophobicContact CD1-CD1 3.91Å; F239-L243 HydrophobicContact CE1-CD1 3.37Å; F239-L243 HydrophobicContact CE1-CG 4.29Å; F239-L243 HydrophobicContact CE2-CD1 4.47Å; F239-L243 HydrophobicContact CZ-CD1 3.75Å; F239-L243 HydrophobicContact CZ-CG 4.36Å; F239-L243 PolarHBondContact O-N 2.86Å; F239-L243 VanDerWaalsContact O-N 3.08Å; S240-L243 PolarHBondContact O-N 3.24Å; L241-L243 VanDerWaalsContact C-N 3.27Å; L241-L243 PolarHBondContact O-N 3.47Å; L243-I246 PolarHBondContact O-N 3.13Å; L243-S247 PolarHBondContact O-N 3.28Å; L243-S247 VanDerWaalsContact O-N 3.11Å |
| 244 | R | 75.1 | Confident | 77.6 | Confident | 32 Ų | 32 | 43.4 Ų | 43.4 | 12% | 0.121 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.1 | -43.4 | 179.6 | -75.3 | -173.6 | 171.8 | -145.6 | -8.3 | 112.4 | L199 S240 L241 I246 S247 F248 E308 | L199-R244 HydrophobicContact CD2-CB 3.88Å; L199-R244 HydrophobicContact CD2-CG 4.36Å; S240-R244 PolarHBondContact O-N 3.13Å; S240-R244 VanDerWaalsContact O-N 3.1Å; L241-R244 PolarHBondContact O-N 2.93Å; R244-I246 PolarHBondContact O-N 3.2Å; R244-S247 WeakPolarHBondContact O-CB 3.33Å; R244-S247 PolarHBondContact O-N 3.48Å; R244-S247 PolarHBondContact O-OG 2.71Å; R244-F248 WeakPolarHBondContact O-CD2 3.22Å; R244-F248 WeakPolarHBondContact O-CE2 3.48Å; R244-F248 PolarHBondContact O-N 2.78Å; R244-E308 PolarHBondContact NH1-O 2.82Å; R244-E308 IonicContact NH1-OE1 2.73Å; R244-E308 PolarHBondContact NH1-OE1 3.08Å; R244-E308 VanDerWaalsContact NH1-OE1 3.15Å; R244-E308 PolarHBondContact NH2-O 2.8Å |
| 245 | L | 79.3 | Confident | 77.7 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.2 | -33.6 | 178.1 | -71.3 | 177.8 | 0 | 0 | 0 | 112.7 | A196 V200 L241 V256 F259 | A196-L245 HydrophobicContact CB-CD2 4.09Å; V200-L245 HydrophobicContact CG2-CD1 4.18Å; V200-L245 HydrophobicContact CG2-CD2 3.92Å; V200-L245 HydrophobicContact CG2-CG 4.49Å; L241-L245 HydrophobicContact CD1-CD1 3.96Å; L241-L245 HydrophobicContact CD1-CG 3.93Å; L241-L245 HydrophobicContact CG-CD1 4.06Å; L241-L245 HydrophobicContact CG-CG 4.43Å; L241-L245 WeakPolarHBondContact O-CG 3.35Å; L241-L245 PolarHBondContact O-N 2.81Å; L245-V256 HydrophobicContact CB-CG1 3.93Å; L245-V256 HydrophobicContact CB-CG2 4.19Å; L245-V256 HydrophobicContact CD1-CG1 4.38Å; L245-F259 HydrophobicContact CD1-CB 3.83Å; L245-F259 HydrophobicContact CD2-CD2 4.12Å |
| 246 | I | 77.6 | Confident | 77.8 | Confident | 35 Ų | 35 | 44.1 Ų | 44.1 | 18% | 0.179 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -75.2 | -26.9 | 176.2 | -67.7 | 166 | 0 | 0 | 0 | 112.1 | P46 L47 R50 G242 L243 R244 F248 V256 | P46-I246 HydrophobicContact CB-CD1 3.51Å; P46-I246 WeakPolarHBondContact O-CD1 3.5Å; L47-I246 HydrophobicContact CD2-CD1 3.69Å; L47-I246 HydrophobicContact CD2-CG1 3.85Å; L47-I246 HydrophobicContact CG-CD1 4.07Å; R50-I246 HydrophobicContact CB-CD1 4.38Å; R50-I246 HydrophobicContact CB-CG2 3.92Å; R50-I246 HydrophobicContact CG-CG2 3.84Å; G242-I246 VanDerWaalsContact O-CD1 3.28Å; G242-I246 WeakPolarHBondContact O-CD1 3.45Å; G242-I246 WeakPolarHBondContact O-CG1 3.47Å; G242-I246 PolarHBondContact O-N 3.43Å; L243-I246 PolarHBondContact O-N 3.13Å; R244-I246 PolarHBondContact O-N 3.2Å; I246-F248 VanDerWaalsContact C-N 3.28Å; I246-F248 PolarHBondContact O-N 3.46Å; I246-V256 HydrophobicContact CG1-CG1 4.29Å |
| 247 | S | 70.6 | Confident | 78.3 | Confident | 82 Ų | 82 | 45.5 Ų | 45.5 | 57% | 0.573 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -71 | -22.6 | 179.3 | 76.9 | 0 | 0 | 0 | 0 | 113.3 | L243 R244 K249 | L243-S247 PolarHBondContact O-N 3.28Å; L243-S247 VanDerWaalsContact O-N 3.11Å; R244-S247 WeakPolarHBondContact O-CB 3.33Å; R244-S247 PolarHBondContact O-N 3.48Å; R244-S247 PolarHBondContact O-OG 2.71Å; S247-K249 PolarHBondContact O-N 3.19Å |
| 248 | F | 72.2 | Confident | 78.8 | Confident | 33 Ų | 33 | 50.2 Ų | 50.2 | 15% | 0.145 | 28% | 0.276 | C | S | . | . | trans | -76.9 | 120.2 | 176 | -64.7 | -63.1 | 0 | 0 | 0 | 111.2 | S192 A196 R244 I246 D250 V251 | S192-F248 VanDerWaalsContact O-CE1 3.3Å; S192-F248 WeakPolarHBondContact O-CE1 3.41Å; S192-F248 WeakPolarHBondContact OG-CD1 3.46Å; A196-F248 HydrophobicContact CB-CD2 3.6Å; A196-F248 HydrophobicContact CB-CE2 3.43Å; A196-F248 VanDerWaalsContact CB-CE2 3.43Å; A196-F248 HydrophobicContact CB-CG 4.4Å; A196-F248 HydrophobicContact CB-CZ 4.1Å; R244-F248 WeakPolarHBondContact O-CD2 3.22Å; R244-F248 WeakPolarHBondContact O-CE2 3.48Å; R244-F248 PolarHBondContact O-N 2.78Å; I246-F248 VanDerWaalsContact C-N 3.28Å; I246-F248 PolarHBondContact O-N 3.46Å; F248-D250 VanDerWaalsContact C-N 3.29Å; F248-D250 PolarHBondContact O-N 2.81Å; F248-V251 HydrophobicContact CB-CG2 3.78Å; F248-V251 PolarHBondContact O-N 3.03Å | ||
| 249 | K | 64 | Low | 78.9 | Confident | 196 Ų | 196 | 52.5 Ų | 52.5 | 85% | 0.852 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -29.3 | -170.4 | -150.3 | 177.3 | -178.6 | -174.5 | 0 | 113.9 | S247 | S247-K249 PolarHBondContact O-N 3.19Š|
| 250 | D | 67.6 | Low | 79.1 | Confident | 136 Ų | 136 | 51 Ų | 51 | 73% | 0.727 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | 2.3 | -170.8 | -52.3 | -39.2 | 0 | 0 | 0 | 113.8 | F248 | F248-D250 VanDerWaalsContact C-N 3.29Å; F248-D250 PolarHBondContact O-N 2.81Å |
| 251 | V | 71.7 | Confident | 79.6 | Confident | 16 Ų | 16 | 52.5 Ų | 52.5 | 10% | 0.097 | 29% | 0.288 | C | S | . | . | trans | -95.8 | 117.9 | -177.3 | -173 | 0 | 0 | 0 | 0 | 110.6 | F248 T255 V256 | F248-V251 HydrophobicContact CB-CG2 3.78Å; F248-V251 PolarHBondContact O-N 3.03Å; V251-T255 HydrophobicContact CG1-CG2 3.9Å; V251-V256 HydrophobicContact CB-CG2 4.43Å; V251-V256 HydrophobicContact CG1-CG2 3.73Å | ||
| 252 | S | 80.9 | Confident | 79.9 | Confident | 57 Ų | 57 | 54.5 Ų | 54.5 | 40% | 0.399 | 30% | 0.304 | S | S | . | . | trans | -64.2 | 149 | 177.8 | 87.4 | 0 | 0 | 0 | 0 | 111.3 | C254 T255 V256 | S252-C254 PolarHBondContact O-N 2.72Å; S252-T255 WeakPolarHBondContact O-CA 3.49Å; S252-T255 WeakPolarHBondContact O-CB 3.36Å; S252-T255 PolarHBondContact O-N 2.79Å; S252-T255 PolarHBondContact OG-N 3.23Å; S252-T255 VanDerWaalsContact OG-N 3.11Å; S252-T255 PolarHBondContact OG-OG1 2.79Å; S252-V256 PolarHBondContact O-N 2.76Å | ||
| 253 | T | 82.2 | Confident | 80.2 | Confident | 63 Ų | 63 | 54.6 Ų | 54.6 | 39% | 0.387 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -56.7 | -34.6 | 176.7 | -51.9 | 0 | 0 | 0 | 0 | 112.2 | L47 R50 V256 I257 | L47-T253 HydrophobicContact CD2-CG2 4.07Å; R50-T253 PolarHBondContact NH1-OG1 3.25Å; T253-V256 PolarHBondContact O-N 2.77Å; T253-I257 HydrophobicContact CG2-CD1 4.22Å; T253-I257 VanDerWaalsContact O-CG1 3.31Å; T253-I257 WeakPolarHBondContact O-CG1 3.33Å; T253-I257 PolarHBondContact O-N 3.2Å |
| 254 | C | 84.9 | Confident | 80.7 | Confident | 94 Ų | 94 | 53.3 Ų | 53.3 | 64% | 0.635 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -63.7 | -43.3 | 175.5 | -170.6 | 0 | 0 | 0 | 0 | 111.2 | S252 V256 I257 L258 | S252-C254 PolarHBondContact O-N 2.72Å; C254-V256 PolarHBondContact O-N 2.77Å; C254-I257 PolarHBondContact O-N 2.85Å; C254-L258 WeakPolarHBondContact O-CB 3.49Å; C254-L258 PolarHBondContact O-N 3.19Å |
| 255 | T | 83 | Confident | 81.4 | Confident | 51 Ų | 51 | 54 Ų | 54 | 31% | 0.313 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.9 | -38.2 | 175.8 | -45.8 | 0 | 0 | 0 | 0 | 111.9 | V251 S252 L258 F259 | V251-T255 HydrophobicContact CG1-CG2 3.9Å; S252-T255 WeakPolarHBondContact O-CA 3.49Å; S252-T255 WeakPolarHBondContact O-CB 3.36Å; S252-T255 PolarHBondContact O-N 2.79Å; S252-T255 PolarHBondContact OG-N 3.23Å; S252-T255 VanDerWaalsContact OG-N 3.11Å; S252-T255 PolarHBondContact OG-OG1 2.79Å; T255-L258 PolarHBondContact O-N 3.07Å; T255-F259 HydrophobicContact CG2-CD2 4.05Å; T255-F259 HydrophobicContact CG2-CE2 3.62Å; T255-F259 HydrophobicContact CG2-CZ 3.9Å; T255-F259 WeakPolarHBondContact O-CG 3.42Å; T255-F259 PolarHBondContact O-N 3.47Å |
| 256 | V | 84.1 | Confident | 81.9 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.8 | -46.1 | 174 | 179.1 | 0 | 0 | 0 | 0 | 110.9 | L47 L245 I246 V251 S252 T253 C254 L258 F259 C260 | L47-V256 HydrophobicContact CD2-CB 4.43Å; L47-V256 HydrophobicContact CD2-CG1 3.97Å; L47-V256 HydrophobicContact CG-CG1 4.49Å; L245-V256 HydrophobicContact CB-CG1 3.93Å; L245-V256 HydrophobicContact CB-CG2 4.19Å; L245-V256 HydrophobicContact CD1-CG1 4.38Å; I246-V256 HydrophobicContact CG1-CG1 4.29Å; V251-V256 HydrophobicContact CB-CG2 4.43Å; V251-V256 HydrophobicContact CG1-CG2 3.73Å; S252-V256 PolarHBondContact O-N 2.76Å; T253-V256 PolarHBondContact O-N 2.77Å; C254-V256 PolarHBondContact O-N 2.77Å; V256-L258 VanDerWaalsContact C-N 3.33Å; V256-L258 PolarHBondContact O-N 3.07Å; V256-F259 PolarHBondContact O-N 2.96Å; V256-C260 WeakPolarHBondContact O-CB 3.48Å; V256-C260 PolarHBondContact O-N 2.96Å; V256-C260 PolarHBondContact O-SG 2.78Å; V256-C260 VanDerWaalsContact O-SG 3.36Å |
| 257 | I | 87.9 | Confident | 82.2 | Confident | 73 Ų | 73 | 54.3 Ų | 54.3 | 37% | 0.374 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 176.7 | -66.9 | 166.3 | 0 | 0 | 0 | 110 | L44 L47 T253 C254 F259 C260 T261 | L44-I257 HydrophobicContact CD2-CB 4.46Å; L44-I257 HydrophobicContact CD2-CG1 4.09Å; L44-I257 HydrophobicContact CD2-CG2 4.41Å; L47-I257 HydrophobicContact CD1-CD1 4.35Å; L47-I257 HydrophobicContact CD1-CG1 3.65Å; T253-I257 HydrophobicContact CG2-CD1 4.22Å; T253-I257 VanDerWaalsContact O-CG1 3.31Å; T253-I257 WeakPolarHBondContact O-CG1 3.33Å; T253-I257 PolarHBondContact O-N 3.2Å; C254-I257 PolarHBondContact O-N 2.85Å; I257-F259 PolarHBondContact O-N 3.4Å; I257-C260 PolarHBondContact O-N 3.43Å; I257-T261 HydrophobicContact CG2-CG2 4.17Å; I257-T261 WeakPolarHBondContact O-CB 3.46Å; I257-T261 VanDerWaalsContact O-CG2 3.26Å; I257-T261 WeakPolarHBondContact O-CG2 3.25Å; I257-T261 PolarHBondContact O-N 2.96Å; I257-T261 PolarHBondContact O-OG1 3.41Å; I257-T261 VanDerWaalsContact O-OG1 3.05Å |
| 258 | L | 88.6 | Confident | 83.1 | Confident | 106 Ų | 106 | 51.1 Ų | 51.1 | 56% | 0.555 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -58.6 | -44.8 | 177.5 | -170.6 | 95.7 | 0 | 0 | 0 | 112.2 | C254 T255 V256 T261 A262 | C254-L258 WeakPolarHBondContact O-CB 3.49Å; C254-L258 PolarHBondContact O-N 3.19Å; T255-L258 PolarHBondContact O-N 3.07Å; V256-L258 VanDerWaalsContact C-N 3.33Å; V256-L258 PolarHBondContact O-N 3.07Å; L258-T261 PolarHBondContact O-OG1 2.81Å; L258-A262 VanDerWaalsContact O-CB 3.25Å; L258-A262 WeakPolarHBondContact O-CB 3.47Å; L258-A262 PolarHBondContact O-N 2.83Å |
| 259 | F | 87.6 | Confident | 83.9 | Confident | 47 Ų | 47 | 54 Ų | 54 | 21% | 0.206 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.1 | -39 | 178.6 | -71 | -26.6 | 0 | 0 | 0 | 112.7 | I197 V200 L245 T255 V256 I257 A262 F263 | I197-F259 HydrophobicContact CG1-CZ 4.21Å; V200-F259 HydrophobicContact CG1-CB 4.39Å; V200-F259 HydrophobicContact CG2-CB 4.15Å; V200-F259 HydrophobicContact CG2-CD2 4.38Å; V200-F259 HydrophobicContact CG2-CG 4.3Å; L245-F259 HydrophobicContact CD1-CB 3.83Å; L245-F259 HydrophobicContact CD2-CD2 4.12Å; T255-F259 HydrophobicContact CG2-CD2 4.05Å; T255-F259 HydrophobicContact CG2-CE2 3.62Å; T255-F259 HydrophobicContact CG2-CZ 3.9Å; T255-F259 WeakPolarHBondContact O-CG 3.42Å; T255-F259 PolarHBondContact O-N 3.47Å; V256-F259 PolarHBondContact O-N 2.96Å; I257-F259 PolarHBondContact O-N 3.4Å; F259-A262 PolarHBondContact O-N 3.03Å; F259-F263 WeakPolarHBondContact O-CB 3.37Å; F259-F263 PolarHBondContact O-N 3.42Å |
| 260 | C | 87.7 | Confident | 85.1 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.8 | -40.8 | 175.4 | -70.3 | 0 | 0 | 0 | 0 | 112.2 | L44 V256 I257 F263 A264 | L44-C260 HydrophobicContact CD2-CB 3.94Å; V256-C260 WeakPolarHBondContact O-CB 3.48Å; V256-C260 PolarHBondContact O-N 2.96Å; V256-C260 PolarHBondContact O-SG 2.78Å; V256-C260 VanDerWaalsContact O-SG 3.36Å; I257-C260 PolarHBondContact O-N 3.43Å; C260-F263 PolarHBondContact O-N 3.16Å; C260-A264 PolarHBondContact O-N 3.02Å |
| 261 | T | 87.3 | Confident | 86 | Confident | 52 Ų | 52 | 38.2 Ų | 38.2 | 32% | 0.319 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68.4 | -40.2 | 176.6 | 56.7 | 0 | 0 | 0 | 0 | 111.6 | L40 I257 L258 A264 A265 | L40-T261 HydrophobicContact CD1-CG2 3.97Å; I257-T261 HydrophobicContact CG2-CG2 4.17Å; I257-T261 WeakPolarHBondContact O-CB 3.46Å; I257-T261 VanDerWaalsContact O-CG2 3.26Å; I257-T261 WeakPolarHBondContact O-CG2 3.25Å; I257-T261 PolarHBondContact O-N 2.96Å; I257-T261 PolarHBondContact O-OG1 3.41Å; I257-T261 VanDerWaalsContact O-OG1 3.05Å; L258-T261 PolarHBondContact O-OG1 2.81Å; T261-A264 PolarHBondContact O-N 2.9Å; T261-A265 WeakPolarHBondContact O-CB 3.35Å; T261-A265 PolarHBondContact O-N 3.44Å |
| 262 | A | 87.7 | Confident | 86.7 | Confident | 43 Ų | 43 | 41.9 Ų | 41.9 | 36% | 0.355 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.9 | -48.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L258 F259 A264 A265 V266 | L258-A262 VanDerWaalsContact O-CB 3.25Å; L258-A262 WeakPolarHBondContact O-CB 3.47Å; L258-A262 PolarHBondContact O-N 2.83Å; F259-A262 PolarHBondContact O-N 3.03Å; A262-A264 PolarHBondContact O-N 3.22Å; A262-A265 PolarHBondContact O-N 2.85Å; A262-V266 VanDerWaalsContact O-CG2 3.29Å; A262-V266 WeakPolarHBondContact O-CG2 3.29Å; A262-V266 PolarHBondContact O-N 2.82Å |
| 263 | F | 87.3 | Confident | 87 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 1% | 0.013 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.9 | -46 | 177.6 | 169.8 | -106.6 | 0 | 0 | 0 | 112.4 | L203 A207 V237 A238 L241 F259 C260 A265 V266 | L203-F263 HydrophobicContact CB-CD2 4.07Å; L203-F263 HydrophobicContact CB-CE2 3.72Å; L203-F263 WeakPolarHBondContact O-CE2 3.49Å; A207-F263 HydrophobicContact CB-CE2 3.89Å; A207-F263 HydrophobicContact CB-CZ 4.45Å; V237-F263 HydrophobicContact CG1-CZ 3.91Å; A238-F263 HydrophobicContact CB-CE1 3.98Å; L241-F263 HydrophobicContact CD2-CB 3.95Å; L241-F263 HydrophobicContact CD2-CD1 3.8Å; L241-F263 HydrophobicContact CD2-CD2 4.07Å; L241-F263 HydrophobicContact CD2-CE1 4.34Å; L241-F263 HydrophobicContact CD2-CG 3.64Å; F259-F263 WeakPolarHBondContact O-CB 3.37Å; F259-F263 PolarHBondContact O-N 3.42Å; C260-F263 PolarHBondContact O-N 3.16Å; F263-A265 VanDerWaalsContact C-N 3.34Å; F263-A265 PolarHBondContact O-N 2.85Å; F263-V266 PolarHBondContact O-N 2.73Å |
| 264 | A | 88.3 | Confident | 87.2 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.8 | -41.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L36 L40 C260 T261 A262 | L36-A264 VanDerWaalsContact CD1-C 3.47Å; L36-A264 HydrophobicContact CD1-CB 3.93Å; L36-A264 VanDerWaalsContact CD1-O 3.25Å; L36-A264 WeakPolarHBondContact CD1-O 3.12Å; L40-A264 HydrophobicContact CB-CB 3.98Å; L40-A264 HydrophobicContact CD1-CB 4.32Å; C260-A264 PolarHBondContact O-N 3.02Å; T261-A264 PolarHBondContact O-N 2.9Å; A262-A264 PolarHBondContact O-N 3.22Å |
| 265 | A | 89.1 | Confident | 87.1 | Confident | 45 Ų | 45 | 36.4 Ų | 36.4 | 37% | 0.372 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.2 | -42.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T261 A262 F263 G267 S268 L269 | T261-A265 WeakPolarHBondContact O-CB 3.35Å; T261-A265 PolarHBondContact O-N 3.44Å; A262-A265 PolarHBondContact O-N 2.85Å; F263-A265 VanDerWaalsContact C-N 3.34Å; F263-A265 PolarHBondContact O-N 2.85Å; A265-G267 VanDerWaalsContact C-N 3.34Å; A265-G267 PolarHBondContact O-N 3.11Å; A265-S268 PolarHBondContact O-N 3.41Å; A265-S268 PolarHBondContact O-OG 2.92Å; A265-L269 PolarHBondContact O-N 3.4Å |
| 266 | V | 90.8 | Very high | 87.2 | Confident | 40 Ų | 40 | 38.8 Ų | 38.8 | 24% | 0.242 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.2 | -43 | -174.9 | 170.1 | 0 | 0 | 0 | 0 | 112.4 | S204 L208 A262 F263 S268 L269 G270 | S204-V266 WeakPolarHBondContact O-CG1 3.34Å; L208-V266 HydrophobicContact CB-CG1 3.78Å; L208-V266 HydrophobicContact CD1-CG1 4.1Å; L208-V266 HydrophobicContact CG-CG1 4.49Å; A262-V266 VanDerWaalsContact O-CG2 3.29Å; A262-V266 WeakPolarHBondContact O-CG2 3.29Å; A262-V266 PolarHBondContact O-N 2.82Å; F263-V266 PolarHBondContact O-N 2.73Å; V266-S268 VanDerWaalsContact C-N 3.35Å; V266-S268 PolarHBondContact O-N 2.8Å; V266-L269 WeakPolarHBondContact O-CB 3.27Å; V266-L269 PolarHBondContact O-N 2.76Å; V266-G270 PolarHBondContact O-N 3.37Å |
| 267 | G | 83.7 | Confident | 87.1 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -76.5 | -21.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | A207 G211 A265 G271 | A207-G267 WeakPolarHBondContact O-CA 3.13Å; G211-G267 WeakPolarHBondContact CA-O 3.37Å; A265-G267 VanDerWaalsContact C-N 3.34Å; A265-G267 PolarHBondContact O-N 3.11Å; G267-G271 PolarHBondContact O-N 2.97Å |
| 268 | S | 88.2 | Confident | 86.6 | Confident | 15 Ų | 15 | 39.7 Ų | 39.7 | 11% | 0.105 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -71.7 | -38.9 | 168.1 | 70.9 | 0 | 0 | 0 | 0 | 111.5 | A265 V266 G270 G271 F272 | A265-S268 PolarHBondContact O-N 3.41Å; A265-S268 PolarHBondContact O-OG 2.92Å; V266-S268 VanDerWaalsContact C-N 3.35Å; V266-S268 PolarHBondContact O-N 2.8Å; S268-G270 VanDerWaalsContact C-N 3.32Å; S268-G270 PolarHBondContact O-N 2.75Å; S268-G271 WeakPolarHBondContact O-CA 3.36Å; S268-G271 PolarHBondContact O-N 3.43Å; S268-F272 WeakPolarHBondContact O-CD2 2.91Å; S268-F272 PolarHBondContact O-N 2.92Å |
| 269 | L | 90.3 | Very high | 85.9 | Confident | 94 Ų | 94 | 42.1 Ų | 42.1 | 49% | 0.492 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.2 | -43.1 | 173.4 | -179.4 | 66.3 | 0 | 0 | 0 | 111.1 | A265 V266 G271 F272 I273 | A265-L269 PolarHBondContact O-N 3.4Å; V266-L269 WeakPolarHBondContact O-CB 3.27Å; V266-L269 PolarHBondContact O-N 2.76Å; L269-G271 VanDerWaalsContact C-N 3.31Å; L269-G271 PolarHBondContact O-N 3.26Å; L269-F272 PolarHBondContact O-N 2.78Å; L269-I273 HydrophobicContact CD1-CD1 4.37Å; L269-I273 HydrophobicContact CG-CD1 3.97Å; L269-I273 VanDerWaalsContact O-CG1 3.28Å; L269-I273 WeakPolarHBondContact O-CG1 3.48Å; L269-I273 PolarHBondContact O-N 2.97Å |
| 270 | G | 87.9 | Confident | 85.2 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -54.1 | -47.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G211 L212 V266 S268 F272 I273 G274 | G211-G270 CarbonylContact O-C 3.54Å; L212-G270 VanDerWaalsContact CA-O 3.3Å; L212-G270 WeakPolarHBondContact CA-O 3.23Å; L212-G270 PolarHBondContact N-O 2.9Å; V266-G270 PolarHBondContact O-N 3.37Å; S268-G270 VanDerWaalsContact C-N 3.32Å; S268-G270 PolarHBondContact O-N 2.75Å; G270-F272 PolarHBondContact O-N 3.45Å; G270-I273 PolarHBondContact O-N 3.49Å; G270-G274 PolarHBondContact O-N 2.74Å |
| 271 | G | 86.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.2 | -45.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G211 G267 S268 L269 G274 I275 | G211-G271 VanDerWaalsContact C-N 3.31Å; G211-G271 WeakPolarHBondContact O-CA 3.48Å; G211-G271 PolarHBondContact O-N 3.25Å; G267-G271 PolarHBondContact O-N 2.97Å; S268-G271 WeakPolarHBondContact O-CA 3.36Å; S268-G271 PolarHBondContact O-N 3.43Å; L269-G271 VanDerWaalsContact C-N 3.31Å; L269-G271 PolarHBondContact O-N 3.26Å; G271-G274 PolarHBondContact O-N 3.02Å; G271-I275 WeakPolarHBondContact O-CG1 3.16Å; G271-I275 PolarHBondContact O-N 2.81Å |
| 272 | F | 87.3 | Confident | 83.1 | Confident | 92 Ų | 92 | 53 Ų | 53 | 40% | 0.404 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.5 | -46.5 | 175.9 | -79 | -73.6 | 0 | 0 | 0 | 112.4 | L29 I32 S268 L269 G270 G274 I275 V276 | L29-F272 HydrophobicContact CD1-CD1 4.14Å; L29-F272 HydrophobicContact CD1-CE1 3.13Å; L29-F272 HydrophobicContact CD1-CZ 3.38Å; I32-F272 HydrophobicContact CG2-CE2 4.34Å; S268-F272 WeakPolarHBondContact O-CD2 2.91Å; S268-F272 PolarHBondContact O-N 2.92Å; L269-F272 PolarHBondContact O-N 2.78Å; G270-F272 PolarHBondContact O-N 3.45Å; F272-G274 VanDerWaalsContact C-N 3.26Å; F272-G274 PolarHBondContact O-N 3.39Å; F272-I275 PolarHBondContact O-N 3.21Å; F272-V276 WeakPolarHBondContact O-CG2 3.27Å; F272-V276 PolarHBondContact O-N 3.4Å; F272-V276 VanDerWaalsContact O-N 3.1Å |
| 273 | I | 87.5 | Confident | 82.1 | Confident | 79 Ų | 79 | 55 Ų | 55 | 41% | 0.405 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.2 | -40.4 | 176.7 | -61.9 | 165.5 | 0 | 0 | 0 | 109.6 | L212 L269 G270 I275 V276 L277 | L212-I273 HydrophobicContact CD1-CB 3.66Å; L212-I273 HydrophobicContact CD1-CG2 3.45Å; L212-I273 VanDerWaalsContact CD1-CG2 3.45Å; L269-I273 HydrophobicContact CD1-CD1 4.37Å; L269-I273 HydrophobicContact CG-CD1 3.97Å; L269-I273 VanDerWaalsContact O-CG1 3.28Å; L269-I273 WeakPolarHBondContact O-CG1 3.48Å; L269-I273 PolarHBondContact O-N 2.97Å; G270-I273 PolarHBondContact O-N 3.49Å; I273-I275 PolarHBondContact O-N 2.82Å; I273-V276 PolarHBondContact O-N 3.2Å; I273-L277 WeakPolarHBondContact O-CB 3.34Å; I273-L277 PolarHBondContact O-N 3.13Å |
| 274 | G | 85 | Confident | 81.2 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.6 | -40.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | G270 G271 F272 L277 S278 | G270-G274 PolarHBondContact O-N 2.74Å; G271-G274 PolarHBondContact O-N 3.02Å; F272-G274 VanDerWaalsContact C-N 3.26Å; F272-G274 PolarHBondContact O-N 3.39Å; G274-L277 PolarHBondContact O-N 3.01Å; G274-S278 VanDerWaalsContact O-CB 3.3Å; G274-S278 WeakPolarHBondContact O-CB 3.48Å; G274-S278 PolarHBondContact O-N 3.46Å |
| 275 | I | 84.2 | Confident | 80.5 | Confident | 21 Ų | 21 | 66.3 Ų | 66.3 | 11% | 0.108 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62 | -50.3 | 174.7 | -68.8 | 168.3 | 0 | 0 | 0 | 110.6 | A25 K28 I32 G271 F272 I273 L277 S278 E279 | A25-I275 HydrophobicContact CB-CG2 4.14Å; K28-I275 HydrophobicContact CB-CD1 3.85Å; K28-I275 HydrophobicContact CB-CG1 4.14Å; K28-I275 HydrophobicContact CD-CG1 4.04Å; I32-I275 HydrophobicContact CD1-CD1 3.58Å; I32-I275 HydrophobicContact CD1-CG1 4.29Å; G271-I275 WeakPolarHBondContact O-CG1 3.16Å; G271-I275 PolarHBondContact O-N 2.81Å; F272-I275 PolarHBondContact O-N 3.21Å; I273-I275 PolarHBondContact O-N 2.82Å; I275-L277 VanDerWaalsContact C-N 3.29Å; I275-L277 PolarHBondContact O-N 3.41Å; I275-S278 WeakPolarHBondContact O-CB 3.25Å; I275-S278 PolarHBondContact O-N 2.83Å; I275-S278 VanDerWaalsContact O-N 3.17Å; I275-S278 PolarHBondContact O-OG 3.48Å; I275-E279 PolarHBondContact O-N 2.79Å |
| 276 | V | 84.6 | Confident | 79.7 | Confident | 101 Ų | 101 | 64.8 Ų | 64.8 | 61% | 0.612 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -60.1 | -42.6 | 178.8 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | F272 I273 S278 E279 A280 | F272-V276 WeakPolarHBondContact O-CG2 3.27Å; F272-V276 PolarHBondContact O-N 3.4Å; F272-V276 VanDerWaalsContact O-N 3.1Å; I273-V276 PolarHBondContact O-N 3.2Å; V276-S278 VanDerWaalsContact C-N 3.31Å; V276-S278 PolarHBondContact O-N 2.65Å; V276-E279 PolarHBondContact O-N 2.92Å; V276-A280 PolarHBondContact O-N 3.17Å |
| 277 | L | 82.5 | Confident | 78.9 | Confident | 53 Ų | 53 | 66.5 Ų | 66.5 | 28% | 0.277 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -70.1 | -30.3 | -179.7 | -169.6 | 63.7 | 0 | 0 | 0 | 112 | L212 L216 I273 G274 I275 E279 A280 L281 | L212-L277 HydrophobicContact CD2-CD2 4.35Å; L216-L277 HydrophobicContact CD2-CB 4.16Å; L216-L277 HydrophobicContact CD2-CD2 4.21Å; L216-L277 HydrophobicContact CD2-CG 4.18Å; I273-L277 WeakPolarHBondContact O-CB 3.34Å; I273-L277 PolarHBondContact O-N 3.13Å; G274-L277 PolarHBondContact O-N 3.01Å; I275-L277 VanDerWaalsContact C-N 3.29Å; I275-L277 PolarHBondContact O-N 3.41Å; L277-E279 PolarHBondContact O-N 3.37Å; L277-A280 PolarHBondContact O-N 2.88Å; L277-L281 HydrophobicContact CD1-CD1 3.72Å; L277-L281 HydrophobicContact CD1-CD2 4.37Å; L277-L281 HydrophobicContact CD1-CG 3.71Å; L277-L281 HydrophobicContact CD2-CD1 3.74Å; L277-L281 HydrophobicContact CG-CD1 3.4Å; L277-L281 HydrophobicContact CG-CG 3.84Å; L277-L281 WeakPolarHBondContact O-CB 3.37Å; L277-L281 WeakPolarHBondContact O-CG 3.26Å; L277-L281 PolarHBondContact O-N 2.99Å |
| 278 | S | 76.5 | Confident | 78.9 | Confident | 39 Ų | 39 | 70.4 Ų | 70.4 | 27% | 0.273 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.2 | -26.8 | 175.6 | 78.6 | 0 | 0 | 0 | 0 | 113.1 | G274 I275 V276 | G274-S278 VanDerWaalsContact O-CB 3.3Å; G274-S278 WeakPolarHBondContact O-CB 3.48Å; G274-S278 PolarHBondContact O-N 3.46Å; I275-S278 WeakPolarHBondContact O-CB 3.25Å; I275-S278 PolarHBondContact O-N 2.83Å; I275-S278 VanDerWaalsContact O-N 3.17Å; I275-S278 PolarHBondContact O-OG 3.48Å; V276-S278 VanDerWaalsContact C-N 3.31Å; V276-S278 PolarHBondContact O-N 2.65Å |
| 279 | E | 72.9 | Confident | 78.6 | Confident | 157 Ų | 157 | 72 Ų | 72 | 73% | 0.734 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -80.8 | -29.3 | 173.9 | -70 | -178.5 | 174.1 | 0 | 0 | 112.4 | I275 V276 L277 | I275-E279 PolarHBondContact O-N 2.79Å; V276-E279 PolarHBondContact O-N 2.92Å; L277-E279 PolarHBondContact O-N 3.37Å |
| 280 | A | 73.3 | Confident | 78.2 | Confident | 81 Ų | 81 | 67.7 Ų | 67.7 | 67% | 0.669 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -87.2 | -32.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V276 L277 | V276-A280 PolarHBondContact O-N 3.17Å; L277-A280 PolarHBondContact O-N 2.88Å |
| 281 | L | 68.4 | Low | 77.9 | Confident | 39 Ų | 39 | 67.7 Ų | 67.7 | 20% | 0.204 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -90 | 136.9 | -176.6 | -70.5 | 176.6 | 0 | 0 | 0 | 112 | L277 L285 A286 I289 | L277-L281 HydrophobicContact CD1-CD1 3.72Å; L277-L281 HydrophobicContact CD1-CD2 4.37Å; L277-L281 HydrophobicContact CD1-CG 3.71Å; L277-L281 HydrophobicContact CD2-CD1 3.74Å; L277-L281 HydrophobicContact CG-CD1 3.4Å; L277-L281 HydrophobicContact CG-CG 3.84Å; L277-L281 WeakPolarHBondContact O-CB 3.37Å; L277-L281 WeakPolarHBondContact O-CG 3.26Å; L277-L281 PolarHBondContact O-N 2.99Å; L281-L285 HydrophobicContact CD2-CB 4.32Å; L281-A286 HydrophobicContact CB-CB 4.44Å; L281-I289 HydrophobicContact CD1-CD1 3.53Å; L281-I289 HydrophobicContact CD2-CD1 4.21Å |
| 282 | R | 63.7 | Low | 78 | Confident | 208 Ų | 208 | 68.3 Ų | 68.3 | 79% | 0.785 | 35% | 0.352 | S | S | * | . | trans | -61.4 | 141.5 | 165.7 | -68.2 | 178.7 | 175.2 | 171.2 | -2.9 | 109.2 | K284 L285 A286 | R282-K284 PolarHBondContact O-N 2.77Å; R282-L285 PolarHBondContact O-N 2.75Å; R282-A286 PolarHBondContact O-N 3.33Å; R282-A286 VanDerWaalsContact O-N 3.1Å | ||
| 283 | S | 66.4 | Low | 77.9 | Confident | 86 Ų | 86 | 65.2 Ų | 65.2 | 60% | 0.601 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -44.9 | -37.3 | -177.9 | 55.8 | 0 | 0 | 0 | 0 | 114.4 | A286 H287 | S283-A286 WeakPolarHBondContact O-CB 3.31Å; S283-A286 PolarHBondContact O-N 2.96Å; S283-H287 PolarHBondContact O-CD2 3.14Å; S283-H287 PolarHBondContact O-N 3.15Å; S283-H287 VanDerWaalsContact O-N 3.1Å |
| 284 | K | 67.2 | Low | 77.7 | Confident | 143 Ų | 143 | 62.2 Ų | 62.2 | 62% | 0.622 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -66.3 | -46.3 | 179.9 | -57.2 | -177.6 | -177.4 | -176.5 | 0 | 113.9 | R282 A286 H287 F288 | R282-K284 PolarHBondContact O-N 2.77Å; K284-A286 VanDerWaalsContact C-N 3.27Å; K284-H287 PolarHBondContact O-N 2.85Å; K284-F288 PolarHBondContact O-N 3.47Å |
| 285 | L | 73.8 | Confident | 77.9 | Confident | 97 Ų | 97 | 62.2 Ų | 62.2 | 51% | 0.508 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -69.7 | -32.5 | 176.6 | -78.4 | 170.2 | 0 | 0 | 0 | 110.3 | L281 R282 F288 I289 | L281-L285 HydrophobicContact CD2-CB 4.32Å; R282-L285 PolarHBondContact O-N 2.75Å; L285-F288 PolarHBondContact O-N 2.86Å; L285-I289 HydrophobicContact CB-CD1 4.46Å; L285-I289 VanDerWaalsContact O-CB 3.3Å; L285-I289 WeakPolarHBondContact O-CB 3.41Å; L285-I289 WeakPolarHBondContact O-CD1 3.21Å; L285-I289 VanDerWaalsContact O-CG1 3.22Å; L285-I289 WeakPolarHBondContact O-CG1 3.22Å; L285-I289 PolarHBondContact O-N 2.71Å |
| 286 | A | 72.7 | Confident | 78.1 | Confident | 12 Ų | 12 | 62.6 Ų | 62.6 | 10% | 0.099 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.2 | -49.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L281 R282 S283 K284 F288 I289 T290 | L281-A286 HydrophobicContact CB-CB 4.44Å; R282-A286 PolarHBondContact O-N 3.33Å; R282-A286 VanDerWaalsContact O-N 3.1Å; S283-A286 WeakPolarHBondContact O-CB 3.31Å; S283-A286 PolarHBondContact O-N 2.96Å; K284-A286 VanDerWaalsContact C-N 3.27Å; A286-F288 PolarHBondContact O-N 2.86Å; A286-I289 PolarHBondContact O-N 3.24Å; A286-T290 WeakPolarHBondContact O-CB 3.47Å; A286-T290 PolarHBondContact O-N 2.93Å; A286-T290 PolarHBondContact O-OG1 3.01Å |
| 287 | H | 74.6 | Confident | 78.1 | Confident | 77 Ų | 77 | 57.9 Ų | 57.9 | 36% | 0.356 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 177.4 | -72.2 | -66.9 | 0 | 0 | 0 | 113.7 | S283 K284 I289 G291 | S283-H287 PolarHBondContact O-CD2 3.14Å; S283-H287 PolarHBondContact O-N 3.15Å; S283-H287 VanDerWaalsContact O-N 3.1Å; K284-H287 PolarHBondContact O-N 2.85Å; H287-I289 VanDerWaalsContact C-N 3.34Å; H287-I289 PolarHBondContact O-N 3.43Å; H287-G291 PolarHBondContact O-N 2.76Å |
| 288 | F | 82.8 | Confident | 78.3 | Confident | 84 Ų | 84 | 55.3 Ų | 55.3 | 37% | 0.368 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 176 | -175.4 | -96.5 | 0 | 0 | 0 | 111.9 | L96 A99 F116 K284 L285 A286 S292 | L96-F288 HydrophobicContact CD2-CD2 4Å; L96-F288 HydrophobicContact CD2-CE2 4.06Å; A99-F288 HydrophobicContact CB-CB 3.93Å; A99-F288 HydrophobicContact CB-CD2 4.02Å; A99-F288 HydrophobicContact CB-CG 4.5Å; F116-F288 HydrophobicContact CE2-CZ 4.44Å; F116-F288 HydrophobicContact CZ-CZ 4.24Å; K284-F288 PolarHBondContact O-N 3.47Å; L285-F288 PolarHBondContact O-N 2.86Å; A286-F288 PolarHBondContact O-N 2.86Å; F288-S292 VanDerWaalsContact O-CB 3.3Å; F288-S292 WeakPolarHBondContact O-CB 3.46Å; F288-S292 PolarHBondContact O-N 2.75Å; F288-S292 PolarHBondContact O-OG 3.28Å |
| 289 | I | 82.7 | Confident | 78.9 | Confident | 48 Ų | 48 | 53.5 Ų | 53.5 | 25% | 0.246 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.6 | -45.6 | -179.9 | -72.4 | 165.7 | 0 | 0 | 0 | 110.7 | L216 L281 L285 A286 H287 S292 L293 | L216-I289 HydrophobicContact CD1-CG2 4.06Å; L281-I289 HydrophobicContact CD1-CD1 3.53Å; L281-I289 HydrophobicContact CD2-CD1 4.21Å; L285-I289 HydrophobicContact CB-CD1 4.46Å; L285-I289 VanDerWaalsContact O-CB 3.3Å; L285-I289 WeakPolarHBondContact O-CB 3.41Å; L285-I289 WeakPolarHBondContact O-CD1 3.21Å; L285-I289 VanDerWaalsContact O-CG1 3.22Å; L285-I289 WeakPolarHBondContact O-CG1 3.22Å; L285-I289 PolarHBondContact O-N 2.71Å; A286-I289 PolarHBondContact O-N 3.24Å; H287-I289 VanDerWaalsContact C-N 3.34Å; H287-I289 PolarHBondContact O-N 3.43Å; I289-S292 PolarHBondContact O-N 3.45Å; I289-L293 HydrophobicContact CG2-CD1 3.58Å; I289-L293 HydrophobicContact CG2-CG 4.31Å; I289-L293 WeakPolarHBondContact O-CB 3.27Å; I289-L293 WeakPolarHBondContact O-CD1 3.25Å; I289-L293 WeakPolarHBondContact O-CG 3.16Å; I289-L293 PolarHBondContact O-N 2.91Å |
| 290 | T | 80.5 | Confident | 79.5 | Confident | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.5 | -49.9 | 176 | -52.3 | 0 | 0 | 0 | 0 | 110.5 | E95 A213 L216 A286 S292 L293 Q294 | E95-T290 VanDerWaalsContact OE2-C 3.23Å; E95-T290 WeakPolarHBondContact OE2-CB 3.37Å; E95-T290 WeakPolarHBondContact OE2-CG2 3.18Å; A213-T290 HydrophobicContact CB-CG2 4Å; L216-T290 WeakPolarHBondContact CB-OG1 3.41Å; A286-T290 WeakPolarHBondContact O-CB 3.47Å; A286-T290 PolarHBondContact O-N 2.93Å; A286-T290 PolarHBondContact O-OG1 3.01Å; T290-S292 PolarHBondContact O-N 2.79Å; T290-L293 PolarHBondContact O-N 2.76Å; T290-Q294 WeakPolarHBondContact O-CB 3.27Å; T290-Q294 PolarHBondContact O-N 3.39Å |
| 291 | G | 82.6 | Confident | 79.9 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.7 | -41.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T92 E95 H287 L293 G295 | T92-G291 WeakPolarHBondContact CG2-O 3.36Å; E95-G291 VanDerWaalsContact OE2-CA 3.26Å; E95-G291 WeakPolarHBondContact OE2-CA 3.44Å; E95-G291 PolarHBondContact OE2-N 3.18Å; H287-G291 PolarHBondContact O-N 2.76Å; G291-L293 PolarHBondContact O-N 2.76Å; G291-G295 PolarHBondContact O-N 3.47Å |
| 292 | S | 88.3 | Confident | 80.8 | Confident | 13 Ų | 13 | 42.5 Ų | 42.5 | 9% | 0.091 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.9 | -43 | 175.9 | -57.5 | 0 | 0 | 0 | 0 | 111.9 | F116 F288 I289 T290 G295 I296 | F116-S292 WeakPolarHBondContact CE2-OG 3.44Å; F116-S292 WeakPolarHBondContact CZ-OG 3.37Å; F288-S292 VanDerWaalsContact O-CB 3.3Å; F288-S292 WeakPolarHBondContact O-CB 3.46Å; F288-S292 PolarHBondContact O-N 2.75Å; F288-S292 PolarHBondContact O-OG 3.28Å; I289-S292 PolarHBondContact O-N 3.45Å; T290-S292 PolarHBondContact O-N 2.79Å; S292-G295 PolarHBondContact O-N 3.19Å; S292-I296 VanDerWaalsContact O-CG1 3.32Å; S292-I296 WeakPolarHBondContact O-CG1 2.92Å; S292-I296 PolarHBondContact O-N 2.8Å |
| 293 | L | 85.7 | Confident | 81.9 | Confident | 26 Ų | 26 | 32.9 Ų | 32.9 | 14% | 0.136 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -71.6 | -38.2 | -179 | -71.3 | 168.3 | 0 | 0 | 0 | 112.7 | F209 L212 L216 I289 T290 G291 G295 I296 A297 | F209-L293 HydrophobicContact CD1-CD2 3.84Å; F209-L293 HydrophobicContact CE1-CD2 4.16Å; F209-L293 HydrophobicContact CG-CD2 4.38Å; L212-L293 HydrophobicContact CB-CD1 4.49Å; L212-L293 HydrophobicContact CD2-CD1 3.13Å; L212-L293 HydrophobicContact CG-CD1 4.31Å; L216-L293 HydrophobicContact CD1-CD1 4.46Å; I289-L293 HydrophobicContact CG2-CD1 3.58Å; I289-L293 HydrophobicContact CG2-CG 4.31Å; I289-L293 WeakPolarHBondContact O-CB 3.27Å; I289-L293 WeakPolarHBondContact O-CD1 3.25Å; I289-L293 WeakPolarHBondContact O-CG 3.16Å; I289-L293 PolarHBondContact O-N 2.91Å; T290-L293 PolarHBondContact O-N 2.76Å; G291-L293 PolarHBondContact O-N 2.76Å; L293-G295 VanDerWaalsContact C-N 3.33Å; L293-I296 PolarHBondContact O-N 3.45Å; L293-A297 WeakPolarHBondContact O-CB 3.28Å; L293-A297 PolarHBondContact O-N 3.09Å |
| 294 | Q | 83.6 | Confident | 82.6 | Confident | 16 Ų | 16 | 29.2 Ų | 29.2 | 8% | 0.075 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.9 | -37.2 | 174.7 | -168.9 | 170.5 | -15.2 | 0 | 0 | 111.1 | L88 D91 T290 A297 C298 | L88-Q294 HydrophobicContact CD2-CG 4Å; D91-Q294 VanDerWaalsContact CB-NE2 3.28Å; T290-Q294 WeakPolarHBondContact O-CB 3.27Å; T290-Q294 PolarHBondContact O-N 3.39Å; Q294-A297 PolarHBondContact O-N 3.36Å; Q294-C298 WeakPolarHBondContact O-CB 3.3Å; Q294-C298 PolarHBondContact O-N 3.44Å |
| 295 | G | 88.1 | Confident | 83.3 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.6 | -47 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T92 T117 G291 S292 L293 C298 G299 | T92-G295 PolarHBondContact OG1-N 3.29Å; T117-G295 VanDerWaalsContact CA-O 3.22Å; T117-G295 WeakPolarHBondContact CA-O 3.46Å; T117-G295 PolarHBondContact OG1-O 2.75Å; G291-G295 PolarHBondContact O-N 3.47Å; S292-G295 PolarHBondContact O-N 3.19Å; L293-G295 VanDerWaalsContact C-N 3.33Å; G295-C298 WeakPolarHBondContact O-CB 3.27Å; G295-C298 PolarHBondContact O-N 2.81Å; G295-G299 PolarHBondContact O-N 2.87Å |
| 296 | I | 89.5 | Confident | 83.9 | Confident | 30 Ų | 30 | 20.1 Ų | 20.1 | 15% | 0.154 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.4 | -44.9 | 174.8 | -68.6 | 167.4 | 0 | 0 | 0 | 110.5 | F116 I119 G120 F209 S292 L293 C298 G299 T300 | F116-I296 HydrophobicContact CB-CG1 4.44Å; F116-I296 HydrophobicContact CD1-CD1 4.37Å; F116-I296 HydrophobicContact CD1-CG1 4.3Å; I119-I296 HydrophobicContact CG2-CG1 4.43Å; G120-I296 WeakPolarHBondContact CA-O 3.37Å; F209-I296 HydrophobicContact CD2-CG2 3.84Å; F209-I296 HydrophobicContact CE2-CG2 3.6Å; F209-I296 HydrophobicContact CZ-CG2 4.49Å; S292-I296 VanDerWaalsContact O-CG1 3.32Å; S292-I296 WeakPolarHBondContact O-CG1 2.92Å; S292-I296 PolarHBondContact O-N 2.8Å; L293-I296 PolarHBondContact O-N 3.45Å; I296-C298 VanDerWaalsContact C-N 3.35Å; I296-C298 PolarHBondContact O-N 2.83Å; I296-G299 PolarHBondContact O-N 3.31Å; I296-G299 VanDerWaalsContact O-N 3.15Å; I296-T300 WeakPolarHBondContact O-CG2 3.42Å; I296-T300 PolarHBondContact O-N 3.31Å |
| 297 | A | 84 | Confident | 84.2 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.008 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.7 | -43.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | H206 F209 E210 L293 Q294 G299 T300 F301 | H206-A297 PolarHBondContact CE1-O 3.04Å; H206-A297 PolarHBondContact ND1-O 3.26Å; F209-A297 HydrophobicContact CB-CB 4.2Å; E210-A297 HydrophobicContact CG-CB 4.24Å; L293-A297 WeakPolarHBondContact O-CB 3.28Å; L293-A297 PolarHBondContact O-N 3.09Å; Q294-A297 PolarHBondContact O-N 3.36Å; A297-G299 VanDerWaalsContact C-N 3.33Å; A297-G299 PolarHBondContact O-N 3.49Å; A297-T300 WeakPolarHBondContact CA-OG1 3.39Å; A297-T300 PolarHBondContact O-N 3.33Å; A297-T300 PolarHBondContact O-OG1 2.93Å; A297-F301 PolarHBondContact O-N 2.81Å |
| 298 | C | 87.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57.5 | -44.6 | 173.8 | -179.3 | 0 | 0 | 0 | 0 | 111.9 | S84 L88 T117 Q294 G295 I296 T300 F301 L302 | S84-C298 PolarHBondContact O-SG 3Å; L88-C298 HydrophobicContact CB-CB 4.03Å; L88-C298 HydrophobicContact CD1-CB 4.48Å; T117-C298 HydrophobicContact CG2-CB 4.39Å; Q294-C298 WeakPolarHBondContact O-CB 3.3Å; Q294-C298 PolarHBondContact O-N 3.44Å; G295-C298 WeakPolarHBondContact O-CB 3.27Å; G295-C298 PolarHBondContact O-N 2.81Å; I296-C298 VanDerWaalsContact C-N 3.35Å; I296-C298 PolarHBondContact O-N 2.83Å; C298-T300 PolarHBondContact O-N 3.12Å; C298-F301 PolarHBondContact O-N 3.36Å; C298-L302 PolarHBondContact O-N 2.87Å |
| 299 | G | 88.4 | Confident | 83.9 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.7 | -42.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | T117 F121 G295 I296 A297 L302 Y303 | T117-G299 WeakPolarHBondContact O-CA 3.42Å; F121-G299 WeakPolarHBondContact CA-O 3.48Å; G295-G299 PolarHBondContact O-N 2.87Å; I296-G299 PolarHBondContact O-N 3.31Å; I296-G299 VanDerWaalsContact O-N 3.15Å; A297-G299 VanDerWaalsContact C-N 3.33Å; A297-G299 PolarHBondContact O-N 3.49Å; G299-L302 PolarHBondContact O-N 2.84Å; G299-Y303 PolarHBondContact O-N 2.72Å; G299-Y303 VanDerWaalsContact O-N 3.12Å |
| 300 | T | 86.1 | Confident | 83.7 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.7 | -38.8 | 176.5 | 61 | 0 | 0 | 0 | 0 | 112.4 | I124 H206 I296 A297 C298 L302 Y303 I304 | I124-T300 HydrophobicContact CD1-CG2 3.9Å; I124-T300 HydrophobicContact CG1-CG2 3.47Å; I124-T300 VanDerWaalsContact CG1-CG2 3.47Å; H206-T300 PolarHBondContact ND1-OG1 2.82Å; I296-T300 WeakPolarHBondContact O-CG2 3.42Å; I296-T300 PolarHBondContact O-N 3.31Å; A297-T300 WeakPolarHBondContact CA-OG1 3.39Å; A297-T300 PolarHBondContact O-N 3.33Å; A297-T300 PolarHBondContact O-OG1 2.93Å; C298-T300 PolarHBondContact O-N 3.12Å; T300-L302 PolarHBondContact O-N 3.14Å; T300-Y303 WeakPolarHBondContact O-CB 3Å; T300-Y303 PolarHBondContact O-N 2.01Å; T300-I304 WeakPolarHBondContact O-CD1 3.16Å; T300-I304 VanDerWaalsContact O-CG1 3.32Å; T300-I304 WeakPolarHBondContact O-CG1 3.12Å; T300-I304 PolarHBondContact O-N 3.15Å |
| 301 | F | 81.9 | Confident | 83.6 | Confident | 3 Ų | 3 | 20.5 Ų | 20.5 | 1% | 0.013 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.5 | -41 | 174.2 | -93.3 | -20.6 | 0 | 0 | 0 | 112.6 | F80 L88 H206 E210 H233 V237 A297 C298 Y303 I304 V305 | F80-F301 HydrophobicContact CD1-CE1 4.43Å; F80-F301 HydrophobicContact CD1-CZ 4.49Å; L88-F301 HydrophobicContact CD1-CD2 3.64Å; L88-F301 HydrophobicContact CD1-CE2 3.94Å; H206-F301 AromaticContact CD2-CD1 3.98Å; H206-F301 AromaticContact CD2-CE1 3.43Å; H206-F301 VanDerWaalsContact CD2-CE1 3.43Å; H206-F301 WeakPolarHBondContact CD2-CE1 3.36Å; H206-F301 AromaticContact CD2-CZ 3.69Å; H206-F301 AromaticContact CE1-CD1 3.46Å; H206-F301 VanDerWaalsContact CE1-CD1 3.46Å; H206-F301 WeakPolarHBondContact CE1-CD1 3.44Å; H206-F301 AromaticContact CE1-CD2 3.41Å; H206-F301 VanDerWaalsContact CE1-CD2 3.41Å; H206-F301 WeakPolarHBondContact CE1-CD2 3.48Å; H206-F301 AromaticContact CE1-CE1 3.45Å; H206-F301 VanDerWaalsContact CE1-CE1 3.45Å; H206-F301 WeakPolarHBondContact CE1-CE1 3.34Å; H206-F301 AromaticContact CE1-CE2 3.39Å; H206-F301 WeakPolarHBondContact CE1-CE2 3.42Å; H206-F301 AromaticContact CE1-CG 3.45Å; H206-F301 VanDerWaalsContact CE1-CG 3.45Å; H206-F301 WeakPolarHBondContact CE1-CG 3.23Å; H206-F301 AromaticContact CE1-CZ 3.42Å; H206-F301 VanDerWaalsContact CE1-CZ 3.42Å; H206-F301 WeakPolarHBondContact CE1-CZ 3.11Å; H206-F301 AromaticContact ND1-CD1 3.86Å; H206-F301 AromaticContact NE2-CD1 3.55Å; H206-F301 AromaticContact NE2-CD2 3.77Å; H206-F301 AromaticContact NE2-CE1 3.01Å; H206-F301 WeakPolarHBondContact NE2-CE1 3.26Å; H206-F301 AromaticContact NE2-CE2 3.26Å; H206-F301 VanDerWaalsContact NE2-CE2 3.26Å; H206-F301 WeakPolarHBondContact NE2-CE2 3.43Å; H206-F301 AromaticContact NE2-CG 3.91Å; H206-F301 AromaticContact NE2-CZ 2.85Å; H206-F301 WeakPolarHBondContact NE2-CZ 3.01Å; E210-F301 VanDerWaalsContact OE1-CE2 3.24Å; E210-F301 WeakPolarHBondContact OE1-CE2 3.2Å; H233-F301 AromaticContact CD2-CZ 3.74Å; V237-F301 HydrophobicContact CG2-CE1 3.91Å; V237-F301 HydrophobicContact CG2-CZ 4.12Å; A297-F301 PolarHBondContact O-N 2.81Å; C298-F301 PolarHBondContact O-N 3.36Å; F301-Y303 VanDerWaalsContact C-N 3.28Å; F301-Y303 PolarHBondContact O-N 3.39Å; F301-I304 HydrophobicContact CD1-CD1 4.21Å; F301-I304 PolarHBondContact O-N 3.14Å; F301-V305 WeakPolarHBondContact O-CG2 3.28Å; F301-V305 PolarHBondContact O-N 2.91Å |
| 302 | L | 87.5 | Confident | 83 | Confident | 44 Ų | 44 | 24 Ų | 24 | 23% | 0.23 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.5 | -41.6 | 177.3 | -153.9 | 160.6 | 0 | 0 | 0 | 110.5 | L85 F121 C298 G299 T300 T306 | L85-L302 HydrophobicContact CD2-CD1 4.39Å; F121-L302 HydrophobicContact CD2-CB 4.43Å; F121-L302 HydrophobicContact CD2-CD2 4.01Å; F121-L302 HydrophobicContact CE2-CD2 4.05Å; C298-L302 PolarHBondContact O-N 2.87Å; G299-L302 PolarHBondContact O-N 2.84Å; T300-L302 PolarHBondContact O-N 3.14Å; L302-T306 HydrophobicContact CD2-CG2 3.88Å; L302-T306 WeakPolarHBondContact O-CB 3.48Å; L302-T306 WeakPolarHBondContact O-CG2 3.37Å; L302-T306 PolarHBondContact O-N 3.16Å; L302-T306 PolarHBondContact O-OG1 2.77Å |
| 303 | Y | 86.5 | Confident | 82.3 | Confident | 6 Ų | 6 | 24.6 Ų | 24.6 | 2% | 0.024 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.9 | -51 | 174.3 | -173.5 | -91.3 | 0 | 0 | 0 | 112.4 | F121 I124 L125 E128 G299 T300 F301 V305 T306 F307 | F121-Y303 HydrophobicContact CD2-CD2 4.11Å; F121-Y303 HydrophobicContact CD2-CG 4.5Å; F121-Y303 AromaticContact CE2-CD2 3.85Å; F121-Y303 HydrophobicContact CE2-CD2 3.85Å; F121-Y303 HydrophobicContact CE2-CG 4.48Å; F121-Y303 HydrophobicContact CZ-CD2 4.09Å; I124-Y303 HydrophobicContact CB-CD1 4.01Å; I124-Y303 HydrophobicContact CB-CE1 4.44Å; I124-Y303 HydrophobicContact CB-CG 4.15Å; I124-Y303 HydrophobicContact CG2-CD1 3.32Å; I124-Y303 HydrophobicContact CG2-CE1 3.53Å; I124-Y303 HydrophobicContact CG2-CG 3.98Å; L125-Y303 HydrophobicContact CB-CD2 4.19Å; L125-Y303 HydrophobicContact CB-CE2 3.65Å; L125-Y303 HydrophobicContact CD1-CE2 4.15Å; L125-Y303 HydrophobicContact CG-CE2 4.1Å; E128-Y303 WeakPolarHBondContact OE2-CE1 3.38Å; E128-Y303 PolarHBondContact OE2-OH 3.18Å; G299-Y303 PolarHBondContact O-N 2.72Å; G299-Y303 VanDerWaalsContact O-N 3.12Å; T300-Y303 WeakPolarHBondContact O-CB 3Å; T300-Y303 PolarHBondContact O-N 2.01Å; F301-Y303 VanDerWaalsContact C-N 3.28Å; F301-Y303 PolarHBondContact O-N 3.39Å; Y303-V305 VanDerWaalsContact C-N 3.3Å; Y303-V305 PolarHBondContact O-N 3.17Å; Y303-T306 PolarHBondContact O-N 3.01Å; Y303-T306 PolarHBondContact O-OG1 3.4Å; Y303-F307 HydrophobicContact CD2-CB 4.48Å; Y303-F307 AromaticContact CD2-CD2 3.9Å; Y303-F307 HydrophobicContact CD2-CD2 3.9Å; Y303-F307 HydrophobicContact CD2-CG 4.36Å; Y303-F307 HydrophobicContact CE1-CB 4.16Å; Y303-F307 HydrophobicContact CE2-CB 4.06Å; Y303-F307 AromaticContact CE2-CD2 3.84Å; Y303-F307 HydrophobicContact CE2-CD2 3.84Å; Y303-F307 AromaticContact CE2-CG 3.9Å; Y303-F307 HydrophobicContact CE2-CG 3.9Å; Y303-F307 PolarHBondContact O-N 3.46Å |
| 304 | I | 80.2 | Confident | 81.8 | Confident | 8 Ų | 8 | 26.5 Ų | 26.5 | 4% | 0.041 | 14% | 0.135 | C | C | . | . | I | π-helix | trans | -58.4 | -43 | -178.9 | -66.3 | 154.6 | 0 | 0 | 0 | 110.9 | T202 L203 T300 F301 E308 I309 | T202-I304 HydrophobicContact CG2-CD1 4.05Å; T202-I304 HydrophobicContact CG2-CG1 3.85Å; L203-I304 HydrophobicContact CD2-CD1 3.53Å; L203-I304 HydrophobicContact CD2-CG1 4.34Å; L203-I304 HydrophobicContact CD2-CG2 4.37Å; T300-I304 WeakPolarHBondContact O-CD1 3.16Å; T300-I304 VanDerWaalsContact O-CG1 3.32Å; T300-I304 WeakPolarHBondContact O-CG1 3.12Å; T300-I304 PolarHBondContact O-N 3.15Å; F301-I304 HydrophobicContact CD1-CD1 4.21Å; F301-I304 PolarHBondContact O-N 3.14Å; I304-E308 CarbonylContact O-C 3.45Å; I304-E308 WeakPolarHBondContact O-CA 3.22Å; I304-E308 VanDerWaalsContact O-CB 3.25Å; I304-E308 WeakPolarHBondContact O-CB 3.46Å; I304-E308 PolarHBondContact O-N 2.78Å; I304-I309 HydrophobicContact CG2-CD1 3.88Å; I304-I309 HydrophobicContact CG2-CG1 4.11Å; I304-I309 PolarHBondContact O-N 2.68Å |
| 305 | V | 83.2 | Confident | 81.1 | Confident | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.012 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -66 | -48.7 | 178.6 | 176.7 | 0 | 0 | 0 | 0 | 110.9 | F80 L81 F301 Y303 L310 | F80-V305 HydrophobicContact CB-CG2 3.25Å; F80-V305 HydrophobicContact CD2-CG2 4.4Å; F80-V305 HydrophobicContact CG-CG2 4.17Å; L81-V305 HydrophobicContact CB-CG1 4.38Å; F301-V305 WeakPolarHBondContact O-CG2 3.28Å; F301-V305 PolarHBondContact O-N 2.91Å; Y303-V305 VanDerWaalsContact C-N 3.3Å; Y303-V305 PolarHBondContact O-N 3.17Å; V305-L310 HydrophobicContact CG1-CD1 4.2Å; V305-L310 WeakPolarHBondContact O-CB 3.26Å; V305-L310 PolarHBondContact O-N 3.28Å |
| 306 | T | 84.8 | Confident | 80.1 | Confident | 48 Ų | 48 | 32.9 Ų | 32.9 | 29% | 0.294 | 18% | 0.179 | S | C | . | . | I | π-helix | trans | -80.3 | -35 | -168.7 | 52.2 | 0 | 0 | 0 | 0 | 114.9 | L302 Y303 P311 | L302-T306 HydrophobicContact CD2-CG2 3.88Å; L302-T306 WeakPolarHBondContact O-CB 3.48Å; L302-T306 WeakPolarHBondContact O-CG2 3.37Å; L302-T306 PolarHBondContact O-N 3.16Å; L302-T306 PolarHBondContact O-OG1 2.77Å; Y303-T306 PolarHBondContact O-N 3.01Å; Y303-T306 PolarHBondContact O-OG1 3.4Å; T306-P311 WeakPolarHBondContact O-CD 3.37Å; T306-P311 WeakPolarHBondContact O-CG 3.46Å |
| 307 | F | 79 | Confident | 78.4 | Confident | 106 Ų | 106 | 37.5 Ų | 37.5 | 47% | 0.465 | 21% | 0.214 | S | C | . | . | I | π-helix | trans | -104.4 | -25.4 | -177.4 | -77.5 | -87.4 | 0 | 0 | 0 | 113.2 | F121 Y303 P311 | F121-F307 HydrophobicContact CE2-CD2 4.15Å; F121-F307 AromaticContact CE2-CE2 3.96Å; F121-F307 HydrophobicContact CE2-CE2 3.96Å; F121-F307 HydrophobicContact CZ-CD2 4.09Å; F121-F307 AromaticContact CZ-CE2 3.55Å; F121-F307 HydrophobicContact CZ-CE2 3.55Å; F121-F307 HydrophobicContact CZ-CZ 4.45Å; Y303-F307 HydrophobicContact CD2-CB 4.48Å; Y303-F307 AromaticContact CD2-CD2 3.9Å; Y303-F307 HydrophobicContact CD2-CD2 3.9Å; Y303-F307 HydrophobicContact CD2-CG 4.36Å; Y303-F307 HydrophobicContact CE1-CB 4.16Å; Y303-F307 HydrophobicContact CE2-CB 4.06Å; Y303-F307 AromaticContact CE2-CD2 3.84Å; Y303-F307 HydrophobicContact CE2-CD2 3.84Å; Y303-F307 AromaticContact CE2-CG 3.9Å; Y303-F307 HydrophobicContact CE2-CG 3.9Å; Y303-F307 PolarHBondContact O-N 3.46Å; F307-P311 WeakPolarHBondContact O-CG 3.28Å |
| 308 | E | 74.9 | Confident | 77.5 | Confident | 16 Ų | 16 | 39.9 Ų | 39.9 | 8% | 0.075 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -108.3 | -48 | -170.2 | 174.6 | 163.1 | -145 | 0 | 0 | 113.2 | L199 R244 I304 | L199-E308 VanDerWaalsContact CB-OE1 3.25Å; L199-E308 WeakPolarHBondContact CB-OE1 3.34Å; L199-E308 HydrophobicContact CD1-CG 4.49Å; L199-E308 WeakPolarHBondContact CD1-OE1 3.22Å; L199-E308 WeakPolarHBondContact CD1-OE2 2.79Å; L199-E308 WeakPolarHBondContact CG-OE1 3.32Å; R244-E308 PolarHBondContact NH1-O 2.82Å; R244-E308 IonicContact NH1-OE1 2.73Å; R244-E308 PolarHBondContact NH1-OE1 3.08Å; R244-E308 VanDerWaalsContact NH1-OE1 3.15Å; R244-E308 PolarHBondContact NH2-O 2.8Å; I304-E308 CarbonylContact O-C 3.45Å; I304-E308 WeakPolarHBondContact O-CA 3.22Å; I304-E308 VanDerWaalsContact O-CB 3.25Å; I304-E308 WeakPolarHBondContact O-CB 3.46Å; I304-E308 PolarHBondContact O-N 2.78Å |
| 309 | I | 77.1 | Confident | 76.3 | Confident | 11 Ų | 11 | 44.2 Ų | 44.2 | 6% | 0.056 | 27% | 0.265 | C | S | . | . | I | π-helix | trans | -83.6 | -59.2 | -178.8 | -59.6 | 175.1 | 0 | 0 | 0 | 111.6 | F80 I304 E313 | F80-I309 HydrophobicContact CD2-CD1 3.92Å; F80-I309 HydrophobicContact CE2-CD1 4.13Å; I304-I309 HydrophobicContact CG2-CD1 3.88Å; I304-I309 HydrophobicContact CG2-CG1 4.11Å; I304-I309 PolarHBondContact O-N 2.68Å; I309-E313 WeakPolarHBondContact O-CG 3.33Å; I309-E313 PolarHBondContact O-N 3.47Å |
| 310 | L | 78.4 | Confident | 75.5 | Confident | 48 Ų | 48 | 51.3 Ų | 51.3 | 25% | 0.251 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.1 | -50.8 | -172.7 | -123.2 | 76.6 | 0 | 0 | 0 | 113.3 | V305 H312 E313 L314 F329 | V305-L310 HydrophobicContact CG1-CD1 4.2Å; V305-L310 WeakPolarHBondContact O-CB 3.26Å; V305-L310 PolarHBondContact O-N 3.28Å; L310-H312 VanDerWaalsContact C-N 3.3Å; L310-H312 PolarHBondContact O-N 3.48Å; L310-E313 PolarHBondContact O-N 3.19Å; L310-L314 HydrophobicContact CB-CD1 4.34Å; L310-L314 HydrophobicContact CD2-CD1 3.84Å; L310-L314 HydrophobicContact CG-CD1 3.73Å; L310-L314 HydrophobicContact CG-CG 4.39Å; L310-L314 VanDerWaalsContact O-CB 3.27Å; L310-L314 WeakPolarHBondContact O-CB 3.46Å; L310-L314 VanDerWaalsContact O-CG 3.25Å; L310-L314 WeakPolarHBondContact O-CG 3.41Å; L310-L314 PolarHBondContact O-N 2.6Å; L310-F329 HydrophobicContact CD1-CD2 3.89Å; L310-F329 HydrophobicContact CD1-CE2 3.57Å; L310-F329 HydrophobicContact CD1-CZ 4.38Å |
| 311 | P | 77.2 | Confident | 75 | Confident | 53 Ų | 53 | 52.4 Ų | 52.4 | 34% | 0.344 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.7 | -40.4 | -174 | -25.6 | 36.9 | 0 | 0 | 0 | 111.3 | T306 F307 S315 | T306-P311 WeakPolarHBondContact O-CD 3.37Å; T306-P311 WeakPolarHBondContact O-CG 3.46Å; F307-P311 WeakPolarHBondContact O-CG 3.28Å; P311-S315 WeakPolarHBondContact O-CB 3.47Å; P311-S315 PolarHBondContact O-N 3.49Å; P311-S315 PolarHBondContact O-OG 3.36Å |
| 312 | H | 71.1 | Confident | 74.9 | Confident | 73 Ų | 73 | 55.7 Ų | 55.7 | 34% | 0.338 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.1 | -44.1 | -180 | -168.8 | 64.4 | 0 | 0 | 0 | 112.4 | L310 T316 | L310-H312 VanDerWaalsContact C-N 3.3Å; L310-H312 PolarHBondContact O-N 3.48Å; H312-T316 PolarHBondContact O-N 2.96Å; H312-T316 PolarHBondContact O-OG1 3.07Å |
| 313 | E | 74.2 | Confident | 74.7 | Confident | 26 Ų | 26 | 57.2 Ų | 57.2 | 12% | 0.121 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -76.3 | -29.6 | -178 | -67.6 | -61.3 | 154.9 | 0 | 0 | 113.3 | S70 I309 L310 K325 | S70-E313 WeakPolarHBondContact CA-OE2 3.32Å; S70-E313 WeakPolarHBondContact CB-OE2 3.43Å; S70-E313 PolarHBondContact OG-OE2 3.36Å; I309-E313 WeakPolarHBondContact O-CG 3.33Å; I309-E313 PolarHBondContact O-N 3.47Å; L310-E313 PolarHBondContact O-N 3.19Å; E313-K325 PolarHBondContact O-NZ 3.42Å |
| 314 | L | 75.2 | Confident | 74.6 | Confident | 65 Ų | 65 | 59.7 Ų | 59.7 | 34% | 0.34 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -85.1 | -28.9 | 177.4 | -64.4 | 177.2 | 0 | 0 | 0 | 112.7 | L310 L322 L326 | L310-L314 HydrophobicContact CB-CD1 4.34Å; L310-L314 HydrophobicContact CD2-CD1 3.84Å; L310-L314 HydrophobicContact CG-CD1 3.73Å; L310-L314 HydrophobicContact CG-CG 4.39Å; L310-L314 VanDerWaalsContact O-CB 3.27Å; L310-L314 WeakPolarHBondContact O-CB 3.46Å; L310-L314 VanDerWaalsContact O-CG 3.25Å; L310-L314 WeakPolarHBondContact O-CG 3.41Å; L310-L314 PolarHBondContact O-N 2.6Å; L314-L322 HydrophobicContact CD2-CD1 3.78Å; L314-L326 HydrophobicContact CD2-CD2 4.47Å |
| 315 | S | 68.9 | Low | 74.9 | Confident | 86 Ų | 86 | 59.6 Ų | 59.6 | 60% | 0.601 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -83.5 | -14.5 | 178.4 | 78.3 | 0 | 0 | 0 | 0 | 113.8 | P311 S317 | P311-S315 WeakPolarHBondContact O-CB 3.47Å; P311-S315 PolarHBondContact O-N 3.49Å; P311-S315 PolarHBondContact O-OG 3.36Å; S315-S317 PolarHBondContact O-N 2.96Å |
| 316 | T | 65.8 | Low | 75.1 | Confident | 64 Ų | 64 | 63.4 Ų | 63.4 | 39% | 0.393 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -63.5 | 125 | 177.1 | -59.8 | 0 | 0 | 0 | 0 | 109.3 | H312 T318 | H312-T316 PolarHBondContact O-N 2.96Å; H312-T316 PolarHBondContact O-OG1 3.07Å; T316-T318 PolarHBondContact O-N 3.18Å |
| 317 | S | 54.9 | Low | 75.2 | Confident | 127 Ų | 127 | 66.5 Ų | 66.5 | 89% | 0.888 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -64.9 | 41.1 | -166.4 | -52.2 | 0 | 0 | 0 | 0 | 117.5 | S315 | S315-S317 PolarHBondContact O-N 2.96Š|
| 318 | T | 64.9 | Low | 75.6 | Confident | 52 Ų | 52 | 65.3 Ų | 65.3 | 32% | 0.319 | 38% | 0.376 | S | S | . | . | trans | -108.7 | 66.5 | 173 | 50.4 | 0 | 0 | 0 | 0 | 111.3 | T316 H320 L321 | T316-T318 PolarHBondContact O-N 3.18Å; T318-H320 PolarHBondContact O-N 3.19Å; T318-L321 PolarHBondContact O-N 2.96Å | ||
| 319 | A | 61.3 | Low | 76.3 | Confident | 91 Ų | 91 | 66 Ų | 66 | 75% | 0.752 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -52.9 | -30.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L321 L322 | A319-L321 VanDerWaalsContact C-N 3.32Å; A319-L321 PolarHBondContact O-N 3.32Å; A319-L322 PolarHBondContact O-N 2.94Å |
| 320 | H | 71.9 | Confident | 76.9 | Confident | 148 Ų | 148 | 70.7 Ų | 70.7 | 69% | 0.685 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -71.5 | -19.1 | -179.7 | 70.8 | -84.1 | 0 | 0 | 0 | 114.7 | T318 | T318-H320 PolarHBondContact O-N 3.19Š|
| 321 | L | 75.2 | Confident | 77.4 | Confident | 23 Ų | 23 | 70.7 Ų | 70.7 | 12% | 0.12 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -96.5 | -5.6 | -179.3 | -84.3 | 143.6 | 0 | 0 | 0 | 113.4 | T67 T318 A319 V324 K325 | T67-L321 HydrophobicContact CG2-CD1 3.8Å; T67-L321 HydrophobicContact CG2-CD2 3.57Å; T67-L321 HydrophobicContact CG2-CG 4.35Å; T318-L321 PolarHBondContact O-N 2.96Å; A319-L321 VanDerWaalsContact C-N 3.32Å; A319-L321 PolarHBondContact O-N 3.32Å; L321-V324 PolarHBondContact O-N 3.06Å; L321-K325 WeakPolarHBondContact O-CG 3.38Å; L321-K325 PolarHBondContact O-N 3.33Å |
| 322 | L | 81.3 | Confident | 77.8 | Confident | 73 Ų | 73 | 68.2 Ų | 68.2 | 38% | 0.382 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -53.1 | -48.5 | -177.3 | -169.4 | 73.5 | 0 | 0 | 0 | 114.4 | L314 A319 V324 K325 L326 | L314-L322 HydrophobicContact CD2-CD1 3.78Å; A319-L322 PolarHBondContact O-N 2.94Å; L322-V324 VanDerWaalsContact C-N 3.32Å; L322-V324 PolarHBondContact O-N 3.31Å; L322-K325 WeakPolarHBondContact O-CB 3.5Å; L322-K325 PolarHBondContact O-N 2.79Å; L322-L326 WeakPolarHBondContact O-CG 3.33Å; L322-L326 PolarHBondContact O-N 2.79Å |
| 323 | P | 83.1 | Confident | 78.5 | Confident | 76 Ų | 76 | 67.2 Ų | 67.2 | 49% | 0.494 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.4 | -36.2 | -179.6 | 24.4 | -33.3 | 0 | 0 | 0 | 112.2 | L326 I327 | P323-L326 PolarHBondContact O-N 3.26Å; P323-I327 WeakPolarHBondContact O-CG1 3.3Å; P323-I327 PolarHBondContact O-N 3.43Å |
| 324 | V | 84.4 | Confident | 79.1 | Confident | 58 Ų | 58 | 67.8 Ų | 67.8 | 35% | 0.352 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.9 | -42.2 | 177.4 | -172.9 | 0 | 0 | 0 | 0 | 110.3 | L71 L321 L322 L326 I327 F328 | L71-V324 HydrophobicContact CD1-CG1 4.38Å; L71-V324 HydrophobicContact CD2-CB 4.27Å; L71-V324 HydrophobicContact CD2-CG1 3.72Å; L321-V324 PolarHBondContact O-N 3.06Å; L322-V324 VanDerWaalsContact C-N 3.32Å; L322-V324 PolarHBondContact O-N 3.31Å; V324-L326 VanDerWaalsContact C-N 3.33Å; V324-L326 PolarHBondContact O-N 2.88Å; V324-I327 PolarHBondContact O-N 3.32Å; V324-F328 HydrophobicContact CG1-CD2 4.05Å; V324-F328 HydrophobicContact CG1-CE2 4.06Å; V324-F328 WeakPolarHBondContact O-CD2 3.41Å; V324-F328 PolarHBondContact O-N 3.03Å |
| 325 | K | 85.3 | Confident | 79.5 | Confident | 6 Ų | 6 | 67.5 Ų | 67.5 | 3% | 0.026 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -57.1 | -44.3 | 173.5 | -73.5 | 178.2 | 175.3 | -165.1 | 0 | 112.1 | S70 L71 C74 E313 L321 L322 F328 F329 | S70-K325 WeakPolarHBondContact OG-CE 3.37Å; S70-K325 PolarHBondContact OG-NZ 3.42Å; L71-K325 HydrophobicContact CD2-CG 3.99Å; C74-K325 HydrophobicContact CB-CB 4.35Å; C74-K325 WeakPolarHBondContact CB-O 3.3Å; E313-K325 PolarHBondContact O-NZ 3.42Å; L321-K325 WeakPolarHBondContact O-CG 3.38Å; L321-K325 PolarHBondContact O-N 3.33Å; L322-K325 WeakPolarHBondContact O-CB 3.5Å; L322-K325 PolarHBondContact O-N 2.79Å; K325-F328 PolarHBondContact O-N 2.72Å; K325-F329 PolarHBondContact O-N 2.63Å |
| 326 | L | 87.3 | Confident | 80.2 | Confident | 82 Ų | 82 | 64.3 Ų | 64.3 | 43% | 0.429 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.9 | -38.2 | 177.8 | -70.3 | 172.9 | 0 | 0 | 0 | 112.9 | L314 L322 P323 V324 F329 L330 | L314-L326 HydrophobicContact CD2-CD2 4.47Å; L322-L326 WeakPolarHBondContact O-CG 3.33Å; L322-L326 PolarHBondContact O-N 2.79Å; P323-L326 PolarHBondContact O-N 3.26Å; V324-L326 VanDerWaalsContact C-N 3.33Å; V324-L326 PolarHBondContact O-N 2.88Å; L326-F329 WeakPolarHBondContact O-CB 3.34Å; L326-F329 PolarHBondContact O-N 2.88Å; L326-L330 PolarHBondContact O-N 3.43Å |
| 327 | I | 87.9 | Confident | 80.9 | Confident | 112 Ų | 112 | 63.3 Ų | 63.3 | 57% | 0.574 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63.7 | -45.1 | 175.3 | -69.2 | 165.4 | 0 | 0 | 0 | 110.8 | P323 V324 F329 L330 A331 | P323-I327 WeakPolarHBondContact O-CG1 3.3Å; P323-I327 PolarHBondContact O-N 3.43Å; V324-I327 PolarHBondContact O-N 3.32Å; I327-F329 VanDerWaalsContact C-N 3.31Å; I327-F329 PolarHBondContact O-N 2.74Å; I327-L330 PolarHBondContact O-N 3.37Å; I327-A331 WeakPolarHBondContact O-CB 3.49Å; I327-A331 PolarHBondContact O-N 3.06Å |
| 328 | F | 88.1 | Confident | 82.2 | Confident | 82 Ų | 82 | 63.4 Ų | 63.4 | 36% | 0.36 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.5 | -37.6 | 176.7 | -90.1 | -100.9 | 0 | 0 | 0 | 111.9 | L71 F75 V324 K325 A331 G332 | L71-F328 HydrophobicContact CB-CD1 4.47Å; L71-F328 HydrophobicContact CB-CG 4.49Å; L71-F328 HydrophobicContact CD1-CE2 4.49Å; L71-F328 HydrophobicContact CD2-CD2 4.14Å; L71-F328 HydrophobicContact CD2-CG 4.45Å; F75-F328 WeakPolarHBondContact CA-O 3.17Å; F75-F328 HydrophobicContact CB-CB 4.31Å; F75-F328 HydrophobicContact CB-CD1 4.18Å; F75-F328 HydrophobicContact CD2-CD1 4.49Å; F75-F328 WeakPolarHBondContact CD2-O 3.32Å; V324-F328 HydrophobicContact CG1-CD2 4.05Å; V324-F328 HydrophobicContact CG1-CE2 4.06Å; V324-F328 WeakPolarHBondContact O-CD2 3.41Å; V324-F328 PolarHBondContact O-N 3.03Å; K325-F328 PolarHBondContact O-N 2.72Å; F328-A331 PolarHBondContact O-N 2.76Å; F328-G332 PolarHBondContact O-N 2.91Å |
| 329 | F | 88.8 | Confident | 82.8 | Confident | 31 Ų | 31 | 64.4 Ų | 64.4 | 14% | 0.136 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.2 | -48.8 | 171.7 | 174 | -95 | 0 | 0 | 0 | 112.3 | C74 G78 L81 L310 K325 L326 I327 A331 G332 L333 | C74-F329 WeakPolarHBondContact O-CA 3.46Å; G78-F329 VanDerWaalsContact CA-CD2 3.48Å; G78-F329 VanDerWaalsContact CA-O 3.25Å; G78-F329 WeakPolarHBondContact CA-O 3.45Å; G78-F329 VanDerWaalsContact N-CD2 3.26Å; L81-F329 HydrophobicContact CB-CZ 4.44Å; L81-F329 HydrophobicContact CD2-CE1 4.38Å; L81-F329 HydrophobicContact CD2-CE2 4.4Å; L81-F329 HydrophobicContact CD2-CZ 3.58Å; L310-F329 HydrophobicContact CD1-CD2 3.89Å; L310-F329 HydrophobicContact CD1-CE2 3.57Å; L310-F329 HydrophobicContact CD1-CZ 4.38Å; K325-F329 PolarHBondContact O-N 2.63Å; L326-F329 WeakPolarHBondContact O-CB 3.34Å; L326-F329 PolarHBondContact O-N 2.88Å; I327-F329 VanDerWaalsContact C-N 3.31Å; I327-F329 PolarHBondContact O-N 2.74Å; F329-A331 VanDerWaalsContact C-N 3.33Å; F329-A331 PolarHBondContact O-N 2.81Å; F329-G332 PolarHBondContact O-N 2.93Å; F329-L333 PolarHBondContact O-N 2.82Å; F329-L333 VanDerWaalsContact O-N 3.1Å |
| 330 | L | 89.8 | Confident | 83.3 | Confident | 108 Ų | 108 | 62.4 Ų | 62.4 | 57% | 0.565 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -64.7 | -35.8 | 176.5 | -71.5 | 174.3 | 0 | 0 | 0 | 112.7 | L326 I327 L333 G334 | L326-L330 PolarHBondContact O-N 3.43Å; I327-L330 PolarHBondContact O-N 3.37Å; L330-L333 PolarHBondContact O-N 2.82Å; L330-G334 PolarHBondContact O-N 2.78Å |
| 331 | A | 88.5 | Confident | 83.4 | Confident | 49 Ų | 49 | 62.5 Ų | 62.5 | 41% | 0.405 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | F75 I327 F328 F329 L333 G334 T335 | F75-A331 HydrophobicContact CD2-CB 4.33Å; F75-A331 HydrophobicContact CE2-CB 4.32Å; I327-A331 WeakPolarHBondContact O-CB 3.49Å; I327-A331 PolarHBondContact O-N 3.06Å; F328-A331 PolarHBondContact O-N 2.76Å; F329-A331 VanDerWaalsContact C-N 3.33Å; F329-A331 PolarHBondContact O-N 2.81Å; A331-L333 PolarHBondContact O-N 3.48Å; A331-G334 PolarHBondContact O-N 2.87Å; A331-T335 WeakPolarHBondContact O-CG2 3.36Å; A331-T335 PolarHBondContact O-N 3.26Å |
| 332 | G | 86.4 | Confident | 83 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57 | -48.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F75 F328 F329 G334 T335 I336 | F75-G332 VanDerWaalsContact CE2-CA 3.45Å; F328-G332 PolarHBondContact O-N 2.91Å; F329-G332 PolarHBondContact O-N 2.93Å; G332-G334 VanDerWaalsContact C-N 3.33Å; G332-G334 PolarHBondContact O-N 2.79Å; G332-T335 PolarHBondContact O-N 3.4Å; G332-T335 PolarHBondContact O-OG1 2.82Å; G332-I336 PolarHBondContact O-N 2.82Å |
| 333 | L | 86.3 | Confident | 81.9 | Confident | 52 Ų | 52 | 66.7 Ų | 66.7 | 27% | 0.272 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.8 | -44.1 | 175.8 | -176.6 | 65.9 | 0 | 0 | 0 | 112 | G78 F329 L330 A331 T335 I336 A337 | G78-L333 WeakPolarHBondContact O-CA 3.43Å; G78-L333 PolarHBondContact O-N 2.83Å; F329-L333 PolarHBondContact O-N 2.82Å; F329-L333 VanDerWaalsContact O-N 3.1Å; L330-L333 PolarHBondContact O-N 2.82Å; A331-L333 PolarHBondContact O-N 3.48Å; L333-T335 PolarHBondContact O-N 3.17Å; L333-I336 PolarHBondContact O-N 2.89Å; L333-A337 PolarHBondContact O-N 3.23Å |
| 334 | G | 86.3 | Confident | 80.5 | Confident | 39 Ų | 39 | 66.6 Ų | 66.6 | 40% | 0.402 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.3 | -35.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L330 A331 G332 A337 F338 | L330-G334 PolarHBondContact O-N 2.78Å; A331-G334 PolarHBondContact O-N 2.87Å; G332-G334 VanDerWaalsContact C-N 3.33Å; G332-G334 PolarHBondContact O-N 2.79Å; G334-A337 PolarHBondContact O-N 3.05Å; G334-F338 WeakPolarHBondContact O-CB 3.29Å; G334-F338 PolarHBondContact O-N 3.32Å |
| 335 | T | 84.3 | Confident | 79.1 | Confident | 59 Ų | 59 | 67.8 Ų | 67.8 | 36% | 0.362 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 178.8 | 57.5 | 0 | 0 | 0 | 0 | 112.7 | F75 A331 G332 L333 F338 V339 | F75-T335 HydrophobicContact CE2-CG2 4.2Å; F75-T335 HydrophobicContact CZ-CG2 4.09Å; A331-T335 WeakPolarHBondContact O-CG2 3.36Å; A331-T335 PolarHBondContact O-N 3.26Å; G332-T335 PolarHBondContact O-N 3.4Å; G332-T335 PolarHBondContact O-OG1 2.82Å; L333-T335 PolarHBondContact O-N 3.17Å; T335-F338 PolarHBondContact O-N 3.19Å; T335-V339 WeakPolarHBondContact O-CG2 3.32Å; T335-V339 PolarHBondContact O-N 2.85Å |
| 336 | I | 82 | Confident | 77.3 | Confident | 18 Ų | 18 | 76.5 Ų | 76.5 | 9% | 0.092 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -66.5 | -44.7 | 176.6 | -68.6 | -62.6 | 0 | 0 | 0 | 111 | V79 G332 L333 F338 V339 L340 | V79-I336 HydrophobicContact CB-CG1 4.45Å; V79-I336 HydrophobicContact CG1-CD1 3.95Å; V79-I336 HydrophobicContact CG1-CG1 3.87Å; G332-I336 PolarHBondContact O-N 2.82Å; L333-I336 PolarHBondContact O-N 2.89Å; I336-F338 PolarHBondContact O-N 3.01Å; I336-V339 PolarHBondContact O-N 2.86Å; I336-L340 HydrophobicContact CG2-CD1 3.72Å; I336-L340 HydrophobicContact CG2-CG 4.23Å; I336-L340 WeakPolarHBondContact O-CG 3.28Å; I336-L340 PolarHBondContact O-N 3.15Å |
| 337 | A | 82.1 | Confident | 75.5 | Confident | 44 Ų | 44 | 80.3 Ų | 80.3 | 36% | 0.364 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -56.1 | -41.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L86 L333 G334 Y341 | L86-A337 HydrophobicContact CD1-CB 3.83Å; L333-A337 PolarHBondContact O-N 3.23Å; G334-A337 PolarHBondContact O-N 3.05Å; A337-Y341 WeakPolarHBondContact O-CB 3.41Å; A337-Y341 PolarHBondContact O-N 3.49Å; A337-Y341 VanDerWaalsContact O-N 3.14Å |
| 338 | F | 81.7 | Confident | 73.5 | Confident | 128 Ų | 128 | 82.1 Ų | 82.1 | 56% | 0.561 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -66.5 | -44.7 | 177.6 | -178.4 | -94.7 | 0 | 0 | 0 | 112.9 | G334 T335 I336 Y341 Y342 | G334-F338 WeakPolarHBondContact O-CB 3.29Å; G334-F338 PolarHBondContact O-N 3.32Å; T335-F338 PolarHBondContact O-N 3.19Å; I336-F338 PolarHBondContact O-N 3.01Å; F338-Y341 PolarHBondContact O-N 3.09Å; F338-Y342 HydrophobicContact CD1-CD2 4.46Å; F338-Y342 HydrophobicContact CD2-CD2 4.07Å; F338-Y342 HydrophobicContact CD2-CE2 4.13Å; F338-Y342 HydrophobicContact CE1-CD2 4.01Å; F338-Y342 HydrophobicContact CE1-CE2 4.4Å; F338-Y342 AromaticContact CE2-CD2 3.59Å; F338-Y342 HydrophobicContact CE2-CD2 3.59Å; F338-Y342 AromaticContact CE2-CE2 3.34Å; F338-Y342 HydrophobicContact CE2-CE2 3.34Å; F338-Y342 HydrophobicContact CG-CD2 4.49Å; F338-Y342 AromaticContact CZ-CD2 3.55Å; F338-Y342 HydrophobicContact CZ-CD2 3.55Å; F338-Y342 AromaticContact CZ-CE2 3.49Å; F338-Y342 HydrophobicContact CZ-CE2 3.49Å; F338-Y342 VanDerWaalsContact CZ-CE2 3.49Å; F338-Y342 HydrophobicContact CZ-CG 4.44Å; F338-Y342 PolarHBondContact O-N 3.38Å; F338-Y342 VanDerWaalsContact O-N 3.12Å |
| 339 | V | 76.7 | Confident | 71.4 | Confident | 73 Ų | 73 | 80.3 Ų | 80.3 | 44% | 0.442 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.4 | -46.4 | 179.5 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | T335 I336 Y342 A343 | T335-V339 WeakPolarHBondContact O-CG2 3.32Å; T335-V339 PolarHBondContact O-N 2.85Å; I336-V339 PolarHBondContact O-N 2.86Å; V339-Y342 PolarHBondContact O-N 2.83Å; V339-A343 VanDerWaalsContact O-CB 3.3Å; V339-A343 WeakPolarHBondContact O-CB 3.42Å; V339-A343 PolarHBondContact O-N 2.84Å |
| 340 | L | 72.5 | Confident | 69.3 | Low | 49 Ų | 49 | 90.5 Ų | 90.5 | 26% | 0.257 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.4 | -42.6 | -179.6 | -66.1 | 172.4 | 0 | 0 | 0 | 111.9 | L86 D87 I336 Y342 A343 S344 | L86-L340 HydrophobicContact CB-CD1 3.68Å; L86-L340 WeakPolarHBondContact O-CD1 3.26Å; D87-L340 HydrophobicContact CB-CD1 4.02Å; D87-L340 HydrophobicContact CB-CD2 4.23Å; D87-L340 VanDerWaalsContact OD1-CD2 3.29Å; D87-L340 WeakPolarHBondContact OD1-CD2 3.01Å; I336-L340 HydrophobicContact CG2-CD1 3.72Å; I336-L340 HydrophobicContact CG2-CG 4.23Å; I336-L340 WeakPolarHBondContact O-CG 3.28Å; I336-L340 PolarHBondContact O-N 3.15Å; L340-Y342 PolarHBondContact O-N 2.99Å; L340-A343 PolarHBondContact O-N 3.38Å; L340-S344 PolarHBondContact O-N 3.02Å; L340-S344 VanDerWaalsContact O-N 3.16Å |
| 341 | Y | 73.7 | Confident | 67.1 | Low | 151 Ų | 151 | 92.4 Ų | 92.4 | 59% | 0.592 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -59.3 | -49.3 | 176.7 | -179.5 | -102.6 | 0 | 0 | 0 | 111.8 | A337 F338 S344 V345 | A337-Y341 WeakPolarHBondContact O-CB 3.41Å; A337-Y341 PolarHBondContact O-N 3.49Å; A337-Y341 VanDerWaalsContact O-N 3.14Å; F338-Y341 PolarHBondContact O-N 3.09Å; Y341-S344 PolarHBondContact O-N 3.14Å; Y341-S344 PolarHBondContact O-OG 3.22Å; Y341-V345 WeakPolarHBondContact O-CG2 3.39Å; Y341-V345 PolarHBondContact O-N 3.47Å |
| 342 | Y | 66.2 | Low | 65 | Low | 132 Ų | 132 | 94.3 Ų | 94.3 | 52% | 0.518 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -71.7 | -32.7 | -178.6 | -95.3 | -87 | 0 | 0 | 0 | 113.8 | F338 V339 L340 S344 V345 F346 | F338-Y342 HydrophobicContact CD1-CD2 4.46Å; F338-Y342 HydrophobicContact CD2-CD2 4.07Å; F338-Y342 HydrophobicContact CD2-CE2 4.13Å; F338-Y342 HydrophobicContact CE1-CD2 4.01Å; F338-Y342 HydrophobicContact CE1-CE2 4.4Å; F338-Y342 AromaticContact CE2-CD2 3.59Å; F338-Y342 HydrophobicContact CE2-CD2 3.59Å; F338-Y342 AromaticContact CE2-CE2 3.34Å; F338-Y342 HydrophobicContact CE2-CE2 3.34Å; F338-Y342 HydrophobicContact CG-CD2 4.49Å; F338-Y342 AromaticContact CZ-CD2 3.55Å; F338-Y342 HydrophobicContact CZ-CD2 3.55Å; F338-Y342 AromaticContact CZ-CE2 3.49Å; F338-Y342 HydrophobicContact CZ-CE2 3.49Å; F338-Y342 VanDerWaalsContact CZ-CE2 3.49Å; F338-Y342 HydrophobicContact CZ-CG 4.44Å; F338-Y342 PolarHBondContact O-N 3.38Å; F338-Y342 VanDerWaalsContact O-N 3.12Å; V339-Y342 PolarHBondContact O-N 2.83Å; L340-Y342 PolarHBondContact O-N 2.99Å; Y342-S344 VanDerWaalsContact C-N 3.34Å; Y342-S344 PolarHBondContact O-N 3.22Å; Y342-V345 PolarHBondContact O-N 3.41Å; Y342-F346 PolarHBondContact O-N 3.01Å |
| 343 | A | 59.4 | Low | 63.4 | Low | 51 Ų | 51 | 99.1 Ų | 99.1 | 42% | 0.421 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V339 L340 V345 | V339-A343 VanDerWaalsContact O-CB 3.3Å; V339-A343 WeakPolarHBondContact O-CB 3.42Å; V339-A343 PolarHBondContact O-N 2.84Å; L340-A343 PolarHBondContact O-N 3.38Å; A343-V345 PolarHBondContact O-N 3.22Å |
| 344 | S | 53.5 | Low | 61.7 | Low | 75 Ų | 75 | 105.1 Ų | 105.1 | 52% | 0.524 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67 | -35.5 | 179.5 | 72.7 | 0 | 0 | 0 | 0 | 113.6 | L340 Y341 Y342 | L340-S344 PolarHBondContact O-N 3.02Å; L340-S344 VanDerWaalsContact O-N 3.16Å; Y341-S344 PolarHBondContact O-N 3.14Å; Y341-S344 PolarHBondContact O-OG 3.22Å; Y342-S344 VanDerWaalsContact C-N 3.34Å; Y342-S344 PolarHBondContact O-N 3.22Å |
| 345 | V | 53.8 | Low | 60 | Low | 83 Ų | 83 | 107.6 Ų | 107.6 | 50% | 0.503 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -78.2 | -35.6 | -176 | 174.5 | 0 | 0 | 0 | 0 | 112.4 | Y341 Y342 A343 | Y341-V345 WeakPolarHBondContact O-CG2 3.39Å; Y341-V345 PolarHBondContact O-N 3.47Å; Y342-V345 PolarHBondContact O-N 3.41Å; A343-V345 PolarHBondContact O-N 3.22Å |
| 346 | F | 48.8 | Very low | 58.4 | Low | 188 Ų | 188 | 107 Ų | 107 | 83% | 0.825 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -84.4 | -25.5 | -171.1 | -148 | -93.2 | 0 | 0 | 0 | 114 | Y342 | Y342-F346 PolarHBondContact O-N 3.01Å |
| 347 | F | 49.1 | Very low | 57.2 | Low | 162 Ų | 162 | 109 Ų | 109 | 71% | 0.711 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -95.3 | -20.8 | -173.4 | -130.1 | -93.4 | 0 | 0 | 0 | 115.1 | ||
| 348 | Y | 45.7 | Very low | 56 | Low | 150 Ų | 150 | 112.8 Ų | 112.8 | 59% | 0.588 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -119 | -18.8 | -171.8 | -85.7 | -96.2 | 0 | 0 | 0 | 116.5 | ||
| 349 | G | 44.9 | Very low | 54.7 | Low | 45 Ų | 45 | 108.9 Ų | 108.9 | 46% | 0.464 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -90.9 | -39 | -158.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||
| 350 | R | 42.8 | Very low | 54 | Low | 244 Ų | 244 | 109.2 Ų | 109.2 | 92% | 0.921 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -111.6 | -16.9 | -161.5 | -78.8 | -172.8 | 177.4 | 176.3 | 0.6 | 118 | ||
| 351 | L | 44.7 | Very low | 53.5 | Low | 148 Ų | 148 | 110.6 Ų | 110.6 | 78% | 0.775 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -99.6 | -27.9 | -177.4 | -148.3 | 76.8 | 0 | 0 | 0 | 114.2 | V353 | L351-V353 PolarHBondContact O-N 2.99Š|
| 352 | K | 43.6 | Very low | 53 | Low | 89 Ų | 89 | 107 Ų | 107 | 39% | 0.387 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -70.3 | -29.2 | -176 | -87.8 | -174.2 | 174.2 | -175.2 | 0 | 115 | K354 T356 N376 | K352-K354 PolarHBondContact O-N 3.1Å; K352-T356 PolarHBondContact O-OG1 2.83Å; K352-N376 PolarHBondContact NZ-OD1 3.35Å |
| 353 | V | 53.1 | Low | 52.6 | Low | 102 Ų | 102 | 102.9 Ų | 102.9 | 62% | 0.618 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -74.4 | -27.5 | -168.8 | -178.3 | 0 | 0 | 0 | 0 | 113.5 | L351 T356 | L351-V353 PolarHBondContact O-N 2.99Å; V353-T356 PolarHBondContact O-OG1 3.37Å |
| 354 | K | 50.4 | Low | 52.8 | Low | 177 Ų | 177 | 107.6 Ų | 107.6 | 77% | 0.77 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -83.7 | -28.3 | -178.5 | -74.2 | -173.1 | 175.8 | -177.5 | 0 | 114.2 | K352 | K352-K354 PolarHBondContact O-N 3.1Å |
| 355 | I | 51.9 | Low | 53.2 | Low | 91 Ų | 91 | 112.7 Ų | 112.7 | 47% | 0.467 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -83.9 | -36.8 | -177.4 | -63.6 | 173.5 | 0 | 0 | 0 | 111.5 | A357 L358 L359 F377 | I355-A357 VanDerWaalsContact C-N 3.34Å; I355-A357 PolarHBondContact O-N 3.04Å; I355-L358 PolarHBondContact O-N 2.9Å; I355-L359 PolarHBondContact O-N 3Å; I355-L359 VanDerWaalsContact O-N 3.15Å; I355-F377 HydrophobicContact CG2-CD1 3.96Å; I355-F377 HydrophobicContact CG2-CE1 4.23Å |
| 356 | T | 50.8 | Low | 53.6 | Low | 46 Ų | 46 | 116 Ų | 116 | 28% | 0.282 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.3 | -35.9 | 175.4 | 44.1 | 0 | 0 | 0 | 0 | 112.6 | K352 V353 L358 H360 | K352-T356 PolarHBondContact O-OG1 2.83Å; V353-T356 PolarHBondContact O-OG1 3.37Å; T356-L358 VanDerWaalsContact C-N 3.35Å; T356-L358 PolarHBondContact O-N 3.3Å; T356-H360 WeakPolarHBondContact O-CB 3.32Å; T356-H360 PolarHBondContact O-N 3.16Å; T356-H360 VanDerWaalsContact O-N 3.07Å |
| 357 | A | 56.1 | Low | 54 | Low | 61 Ų | 61 | 111 Ų | 111 | 50% | 0.504 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.8 | -34.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I355 C361 | I355-A357 VanDerWaalsContact C-N 3.34Å; I355-A357 PolarHBondContact O-N 3.04Å; A357-C361 PolarHBondContact O-N 3.34Å |
| 358 | L | 57.2 | Low | 54.4 | Low | 123 Ų | 123 | 112.7 Ų | 112.7 | 64% | 0.644 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -77.8 | -40.8 | -177.2 | -148.2 | 141.9 | 0 | 0 | 0 | 111.7 | I355 T356 C361 V362 | I355-L358 PolarHBondContact O-N 2.9Å; T356-L358 VanDerWaalsContact C-N 3.35Å; T356-L358 PolarHBondContact O-N 3.3Å; L358-C361 WeakPolarHBondContact O-CB 3.44Å; L358-C361 PolarHBondContact O-N 2.91Å; L358-V362 WeakPolarHBondContact O-CG2 3.41Å; L358-V362 PolarHBondContact O-N 3.03Å; L358-V362 VanDerWaalsContact O-N 3.12Å |
| 359 | L | 54.4 | Low | 55 | Low | 46 Ų | 46 | 106.1 Ų | 106.1 | 24% | 0.241 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -68.4 | -38.8 | 174.5 | -164 | 82.8 | 0 | 0 | 0 | 112.4 | I355 C361 V362 L363 F377 | I355-L359 PolarHBondContact O-N 3Å; I355-L359 VanDerWaalsContact O-N 3.15Å; L359-C361 VanDerWaalsContact C-N 3.26Å; L359-C361 PolarHBondContact O-N 2.95Å; L359-V362 PolarHBondContact O-N 3.01Å; L359-L363 HydrophobicContact CD2-CD1 4.1Å; L359-L363 HydrophobicContact CG-CD1 3.99Å; L359-L363 WeakPolarHBondContact O-CB 3.49Å; L359-L363 PolarHBondContact O-N 3.5Å; L359-F377 HydrophobicContact CD1-CE2 4.17Å; L359-F377 HydrophobicContact CD2-CD2 3.53Å; L359-F377 HydrophobicContact CD2-CE2 3.75Å; L359-F377 HydrophobicContact CD2-CG 4.3Å |
| 360 | H | 60.4 | Low | 55.8 | Low | 80 Ų | 80 | 112.1 Ų | 112.1 | 37% | 0.37 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -58.1 | -39.9 | 172.4 | 177.7 | -108.9 | 0 | 0 | 0 | 111.5 | T356 R364 V372 | T356-H360 WeakPolarHBondContact O-CB 3.32Å; T356-H360 PolarHBondContact O-N 3.16Å; T356-H360 VanDerWaalsContact O-N 3.07Å; H360-R364 VanDerWaalsContact O-CB 3.26Å; H360-R364 WeakPolarHBondContact O-CB 3.28Å; H360-R364 PolarHBondContact O-N 3.2Å; H360-R364 VanDerWaalsContact O-N 3.17Å; H360-V372 PolarHBondContact CD2-O 2.76Å; H360-V372 PolarHBondContact NE2-O 2.77Å |
| 361 | C | 62.1 | Low | 56.8 | Low | 78 Ų | 78 | 105.7 Ų | 105.7 | 53% | 0.527 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.3 | -41 | 176.4 | -162 | 0 | 0 | 0 | 0 | 112.5 | A357 L358 L359 K365 | A357-C361 PolarHBondContact O-N 3.34Å; L358-C361 WeakPolarHBondContact O-CB 3.44Å; L358-C361 PolarHBondContact O-N 2.91Å; L359-C361 VanDerWaalsContact C-N 3.26Å; L359-C361 PolarHBondContact O-N 2.95Å; C361-K365 PolarHBondContact O-N 3.34Å |
| 362 | V | 63.9 | Low | 57.6 | Low | 77 Ų | 77 | 99.1 Ų | 99.1 | 47% | 0.467 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.3 | -45.9 | 179.7 | 173.9 | 0 | 0 | 0 | 0 | 112.5 | L358 L359 R364 K365 M366 | L358-V362 WeakPolarHBondContact O-CG2 3.41Å; L358-V362 PolarHBondContact O-N 3.03Å; L358-V362 VanDerWaalsContact O-N 3.12Å; L359-V362 PolarHBondContact O-N 3.01Å; V362-R364 PolarHBondContact O-N 3.03Å; V362-K365 PolarHBondContact O-N 3.29Å; V362-M366 PolarHBondContact O-N 3.2Å |
| 363 | L | 57.7 | Low | 58.5 | Low | 44 Ų | 44 | 97.6 Ų | 97.6 | 23% | 0.23 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -65.3 | -37.6 | 178.7 | -82.2 | 161.8 | 0 | 0 | 0 | 112.2 | L359 K365 M366 L367 | L359-L363 HydrophobicContact CD2-CD1 4.1Å; L359-L363 HydrophobicContact CG-CD1 3.99Å; L359-L363 WeakPolarHBondContact O-CB 3.49Å; L359-L363 PolarHBondContact O-N 3.5Å; L363-K365 VanDerWaalsContact C-N 3.31Å; L363-K365 PolarHBondContact O-N 3.38Å; L363-M366 PolarHBondContact O-N 3.31Å; L363-L367 HydrophobicContact CD2-CD1 3.89Å; L363-L367 WeakPolarHBondContact O-CB 3.43Å; L363-L367 PolarHBondContact O-N 3.37Å |
| 364 | R | 64.2 | Low | 58.8 | Low | 151 Ų | 151 | 94.2 Ų | 94.2 | 57% | 0.57 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.9 | -38.3 | 173.5 | -170.5 | 177.7 | -177.5 | -172.2 | 1.4 | 111.8 | H360 V362 R368 | H360-R364 VanDerWaalsContact O-CB 3.26Å; H360-R364 WeakPolarHBondContact O-CB 3.28Å; H360-R364 PolarHBondContact O-N 3.2Å; H360-R364 VanDerWaalsContact O-N 3.17Å; V362-R364 PolarHBondContact O-N 3.03Å; R364-R368 PolarHBondContact O-N 3.32Å |
| 365 | K | 62.4 | Low | 59.5 | Low | 182 Ų | 182 | 87.6 Ų | 87.6 | 79% | 0.791 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -70.7 | -38.1 | 178 | -120 | 177.3 | 179.6 | 178.9 | 0 | 113.1 | C361 V362 L363 | C361-K365 PolarHBondContact O-N 3.34Å; V362-K365 PolarHBondContact O-N 3.29Å; L363-K365 VanDerWaalsContact C-N 3.31Å; L363-K365 PolarHBondContact O-N 3.38Å |
| 366 | M | 60.9 | Low | 59.8 | Low | 152 Ų | 152 | 86.4 Ų | 86.4 | 75% | 0.749 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -77.4 | -41.8 | -179.4 | -76.5 | -104.3 | 75.6 | 0 | 0 | 113.4 | V362 L363 | V362-M366 PolarHBondContact O-N 3.2Å; L363-M366 PolarHBondContact O-N 3.31Å |
| 367 | L | 58.2 | Low | 59.8 | Low | 84 Ų | 84 | 88.3 Ų | 88.3 | 44% | 0.44 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -96.6 | -11.7 | -169.9 | -68.7 | 165.7 | 0 | 0 | 0 | 114.8 | L363 C369 | L363-L367 HydrophobicContact CD2-CD1 3.89Å; L363-L367 WeakPolarHBondContact O-CB 3.43Å; L363-L367 PolarHBondContact O-N 3.37Å; L367-C369 PolarHBondContact O-N 2.9Å; L367-C369 VanDerWaalsContact O-N 3.16Å; L367-C369 PolarHBondContact O-SG 2.84Å; L367-C369 VanDerWaalsContact O-SG 3.39Å |
| 368 | R | 57.6 | Low | 59.7 | Low | 196 Ų | 196 | 86.7 Ų | 86.7 | 74% | 0.74 | 45% | 0.446 | S | S | * | . | trans | 49.7 | 35 | -177.2 | -61.7 | -172.3 | 178.8 | -164.6 | -1.2 | 114.3 | R364 | R364-R368 PolarHBondContact O-N 3.32Š| ||
| 369 | C | 58.6 | Low | 59.4 | Low | 13 Ų | 13 | 87.4 Ų | 87.4 | 9% | 0.088 | 45% | 0.445 | C | S | . | . | trans | -92.6 | 149.5 | 177.7 | -55 | 0 | 0 | 0 | 0 | 112.2 | L367 V372 Y389 | L367-C369 PolarHBondContact O-N 2.9Å; L367-C369 VanDerWaalsContact O-N 3.16Å; L367-C369 PolarHBondContact O-SG 2.84Å; L367-C369 VanDerWaalsContact O-SG 3.39Å; C369-V372 HydrophobicContact CB-CG2 4.02Å; C369-Y389 HydrophobicContact CB-CD2 3.99Å; C369-Y389 WeakPolarHBondContact SG-CD2 3.5Å | ||
| 370 | E | 61.4 | Low | 59.4 | Low | 170 Ų | 170 | 86.7 Ų | 86.7 | 79% | 0.794 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -73.2 | -29.8 | -178.3 | -73.9 | -178.5 | 155.5 | 0 | 0 | 114.1 | ||
| 371 | N | 62.3 | Low | 59.1 | Low | 109 Ų | 109 | 84.9 Ų | 84.9 | 58% | 0.583 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 114 | 178.5 | -79.3 | -51.6 | 0 | 0 | 0 | 111.9 | R388 | N371-R388 PolarHBondContact O-N 3.23Å; N371-R388 VanDerWaalsContact O-N 3.14Å |
| 372 | V | 61.8 | Low | 58.9 | Low | 11 Ų | 11 | 83.6 Ų | 83.6 | 7% | 0.067 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 111.9 | 172.2 | 179.4 | 0 | 0 | 0 | 0 | 107.8 | H360 C369 L385 | H360-V372 PolarHBondContact CD2-O 2.76Å; H360-V372 PolarHBondContact NE2-O 2.77Å; C369-V372 HydrophobicContact CB-CG2 4.02Å; V372-L385 HydrophobicContact CG1-CD1 4.44Å |
| 373 | A | 63.2 | Low | 58.7 | Low | 56 Ų | 56 | 80.8 Ų | 80.8 | 46% | 0.463 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 125.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | S386 | A373-S386 WeakPolarHBondContact CB-OG 3.39Å; A373-S386 PolarHBondContact N-O 3.13Å; A373-S386 PolarHBondContact O-N 2.93Å |
| 374 | C | 60.1 | Low | 58.9 | Low | 32 Ų | 32 | 86.6 Ų | 86.6 | 22% | 0.216 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 117.8 | 178.5 | -176.3 | 0 | 0 | 0 | 0 | 108.3 | R384 L385 | C374-R384 WeakPolarHBondContact CA-O 3.42Å; C374-L385 HydrophobicContact CB-CD1 4.15Å |
| 375 | G | 64.9 | Low | 59 | Low | 38 Ų | 38 | 79.9 Ų | 79.9 | 39% | 0.392 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | -58.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | S383 R384 | G375-S383 PolarHBondContact N-O 3.37Å; G375-R384 PolarHBondContact N-O 3.06Å |
| 376 | N | 56.8 | Low | 59.4 | Low | 66 Ų | 66 | 73.2 Ų | 73.2 | 35% | 0.353 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 134.9 | -173.5 | -95.1 | -33.8 | 0 | 0 | 0 | 111.3 | K352 S383 | K352-N376 PolarHBondContact NZ-OD1 3.35Å; N376-S383 WeakPolarHBondContact CB-OG 3.44Å; N376-S383 PolarHBondContact N-O 2.76Å; N376-S383 VanDerWaalsContact N-O 3.08Å; N376-S383 PolarHBondContact O-N 2.76Å; N376-S383 VanDerWaalsContact O-N 3.08Å; N376-S383 PolarHBondContact O-OG 3.13Å |
| 377 | F | 51.3 | Low | 59.8 | Low | 85 Ų | 85 | 67.1 Ų | 67.1 | 37% | 0.373 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 124.9 | -176.6 | -176.5 | -100 | 0 | 0 | 0 | 110.9 | I355 L359 L382 | I355-F377 HydrophobicContact CG2-CD1 3.96Å; I355-F377 HydrophobicContact CG2-CE1 4.23Å; L359-F377 HydrophobicContact CD1-CE2 4.17Å; L359-F377 HydrophobicContact CD2-CD2 3.53Å; L359-F377 HydrophobicContact CD2-CE2 3.75Å; L359-F377 HydrophobicContact CD2-CG 4.3Å; F377-L382 HydrophobicContact CD2-CG 4.42Å |
| 378 | G | 54.9 | Low | 60.2 | Low | 27 Ų | 27 | 70.4 Ų | 70.4 | 28% | 0.278 | 36% | 0.357 | S | S | . | . | trans | -124.5 | 168.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | V380 S381 | G378-V380 VanDerWaalsContact C-N 3.28Å; G378-V380 PolarHBondContact O-N 3.21Å; G378-S381 PolarHBondContact N-O 3.27Å; G378-S381 PolarHBondContact O-N 2.74Å | ||
| 379 | F | 51.1 | Low | 60.5 | Low | 138 Ų | 138 | 66.1 Ų | 66.1 | 61% | 0.605 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -65.1 | -25.8 | -168.5 | -158.8 | -74.7 | 0 | 0 | 0 | 113.9 | N11 D12 | N11-F379 HydrophobicContact CB-CD1 3.8Å; N11-F379 HydrophobicContact CB-CE1 3.35Å; N11-F379 HydrophobicContact CB-CZ 3.85Å; N11-F379 VanDerWaalsContact CG-CE2 3.49Å; N11-F379 WeakPolarHBondContact ND2-CE1 3.42Å; N11-F379 WeakPolarHBondContact ND2-CE2 3.49Å; N11-F379 WeakPolarHBondContact ND2-CZ 3.37Å; N11-F379 VanDerWaalsContact OD1-CD1 3.29Å; N11-F379 WeakPolarHBondContact OD1-CD1 3.29Å; N11-F379 VanDerWaalsContact OD1-CD2 3.28Å; N11-F379 WeakPolarHBondContact OD1-CD2 3.3Å; N11-F379 VanDerWaalsContact OD1-CE1 3.28Å; N11-F379 WeakPolarHBondContact OD1-CE1 3.48Å; N11-F379 VanDerWaalsContact OD1-CE2 3.25Å; N11-F379 WeakPolarHBondContact OD1-CE2 3.44Å; N11-F379 WeakPolarHBondContact OD1-CG 3.33Å; N11-F379 VanDerWaalsContact OD1-CZ 3.28Å; N11-F379 WeakPolarHBondContact OD1-CZ 3.48Å; D12-F379 HydrophobicContact CB-CD1 3.84Å; D12-F379 HydrophobicContact CB-CE1 4.46Å; D12-F379 WeakPolarHBondContact OD2-CA 3.41Å; D12-F379 WeakPolarHBondContact OD2-CB 3.49Å; D12-F379 WeakPolarHBondContact OD2-CD1 3.33Å |
| 380 | V | 54.6 | Low | 60.7 | Low | 32 Ų | 32 | 70.1 Ų | 70.1 | 19% | 0.194 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -128.1 | 2.8 | 171.7 | 154.2 | 0 | 0 | 0 | 0 | 114.7 | D12 N13 G378 L400 L401 | D12-V380 HydrophobicContact CB-CB 4.17Å; D12-V380 HydrophobicContact CB-CG2 3.31Å; D12-V380 VanDerWaalsContact CG-CB 3.46Å; D12-V380 WeakPolarHBondContact OD2-CB 3.36Å; D12-V380 WeakPolarHBondContact OD2-CG2 3.17Å; D12-V380 PolarHBondContact OD2-N 3.29Å; N13-V380 VanDerWaalsContact CG-CG2 3.5Å; N13-V380 WeakPolarHBondContact ND2-CG2 3.2Å; N13-V380 VanDerWaalsContact OD1-CG1 3.23Å; N13-V380 WeakPolarHBondContact OD1-CG1 3.39Å; N13-V380 WeakPolarHBondContact OD1-CG2 3.48Å; G378-V380 VanDerWaalsContact C-N 3.28Å; G378-V380 PolarHBondContact O-N 3.21Å; V380-L400 VanDerWaalsContact O-O 3.13Å; V380-L401 HydrophobicContact CG1-CD2 4.27Å |
| 381 | S | 53.4 | Low | 60.9 | Low | 42 Ų | 42 | 63.7 Ų | 63.7 | 29% | 0.294 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 126.1 | -179.5 | 64.8 | 0 | 0 | 0 | 0 | 113.3 | G378 L400 | G378-S381 PolarHBondContact N-O 3.27Å; G378-S381 PolarHBondContact O-N 2.74Å; S381-L400 WeakPolarHBondContact CA-O 3.32Å |
| 382 | L | 57.9 | Low | 61.1 | Low | 51 Ų | 51 | 59.9 Ų | 59.9 | 27% | 0.267 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 126.9 | 173.4 | -120.1 | 139.9 | 0 | 0 | 0 | 108.3 | F377 L385 L400 | F377-L382 HydrophobicContact CD2-CG 4.42Å; L382-L385 HydrophobicContact CD2-CD1 3.86Å; L382-L400 HydrophobicContact CB-CB 4.2Å; L382-L400 HydrophobicContact CB-CD2 4.41Å; L382-L400 PolarHBondContact O-N 2.89Å |
| 383 | S | 59.4 | Low | 61.5 | Low | 18 Ų | 18 | 60.2 Ų | 60.2 | 13% | 0.126 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 135.6 | -175.5 | 62.5 | 0 | 0 | 0 | 0 | 112.2 | G375 N376 | G375-S383 PolarHBondContact N-O 3.37Å; N376-S383 WeakPolarHBondContact CB-OG 3.44Å; N376-S383 PolarHBondContact N-O 2.76Å; N376-S383 VanDerWaalsContact N-O 3.08Å; N376-S383 PolarHBondContact O-N 2.76Å; N376-S383 VanDerWaalsContact O-N 3.08Å; N376-S383 PolarHBondContact O-OG 3.13Å |
| 384 | R | 62 | Low | 61.9 | Low | 165 Ų | 165 | 60.1 Ų | 60.1 | 62% | 0.623 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 57.8 | 62.8 | -178.2 | -58.8 | -177.4 | -170.2 | 179.2 | 2.9 | 113.2 | C374 G375 W396 | C374-R384 WeakPolarHBondContact CA-O 3.42Å; G375-R384 PolarHBondContact N-O 3.06Å; R384-W396 VanDerWaalsContact CA-O 3.26Å; R384-W396 WeakPolarHBondContact CA-O 3.4Å |
| 385 | L | 66.9 | Low | 62.3 | Low | 10 Ų | 10 | 60.5 Ų | 60.5 | 5% | 0.052 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 116.2 | 167.8 | -160.4 | 92.6 | 0 | 0 | 0 | 108.6 | V372 C374 L382 I387 W396 | V372-L385 HydrophobicContact CG1-CD1 4.44Å; C374-L385 HydrophobicContact CB-CD1 4.15Å; L382-L385 HydrophobicContact CD2-CD1 3.86Å; L385-I387 HydrophobicContact CD2-CD1 3.41Å; L385-I387 VanDerWaalsContact CD2-CD1 3.41Å; L385-I387 HydrophobicContact CD2-CG1 3.55Å; L385-I387 HydrophobicContact CG-CG1 4.14Å; L385-W396 HydrophobicContact CB-CB 4.33Å; L385-W396 HydrophobicContact CB-CD2 4.07Å; L385-W396 HydrophobicContact CB-CE3 3.51Å; L385-W396 HydrophobicContact CB-CG 4.46Å; L385-W396 HydrophobicContact CB-CZ3 4.16Å; L385-W396 HydrophobicContact CD2-CD2 4.1Å; L385-W396 HydrophobicContact CD2-CE3 3.37Å; L385-W396 HydrophobicContact CD2-CH2 3.61Å; L385-W396 HydrophobicContact CD2-CZ2 4.3Å; L385-W396 HydrophobicContact CD2-CZ3 3.11Å; L385-W396 HydrophobicContact CG-CE3 4.04Å; L385-W396 HydrophobicContact CG-CZ3 4.21Å; L385-W396 PolarHBondContact N-O 3.12Å; L385-W396 WeakPolarHBondContact O-CB 3.4Å; L385-W396 PolarHBondContact O-N 3.24Å |
| 386 | S | 70.1 | Confident | 62.5 | Low | 43 Ų | 43 | 62.7 Ų | 62.7 | 30% | 0.301 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 113.8 | 167 | 70.5 | 0 | 0 | 0 | 0 | 109.5 | A373 L394 | A373-S386 WeakPolarHBondContact CB-OG 3.39Å; A373-S386 PolarHBondContact N-O 3.13Å; A373-S386 PolarHBondContact O-N 2.93Å; S386-L394 CarbonylContact C-O 3.57Å; S386-L394 VanDerWaalsContact CA-O 3.25Å; S386-L394 WeakPolarHBondContact CA-O 3.33Å |
| 387 | I | 70.1 | Confident | 62.7 | Low | 23 Ų | 23 | 64.6 Ų | 64.6 | 12% | 0.118 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 119.9 | 173.9 | -58.9 | 165.8 | 0 | 0 | 0 | 106.8 | L385 L394 W396 | L385-I387 HydrophobicContact CD2-CD1 3.41Å; L385-I387 VanDerWaalsContact CD2-CD1 3.41Å; L385-I387 HydrophobicContact CD2-CG1 3.55Å; L385-I387 HydrophobicContact CG-CG1 4.14Å; I387-L394 HydrophobicContact CB-CB 4.42Å; I387-L394 PolarHBondContact N-O 2.9Å; I387-L394 PolarHBondContact O-N 3.07Å; I387-W396 HydrophobicContact CD1-CH2 4.04Å; I387-W396 HydrophobicContact CD1-CZ2 4.07Å |
| 388 | R | 65 | Low | 62.8 | Low | 154 Ų | 154 | 63.3 Ų | 63.3 | 58% | 0.581 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 114.8 | 166.3 | -167.4 | 176.8 | -91.6 | 172 | -6.2 | 108.2 | N371 V392 | N371-R388 PolarHBondContact O-N 3.23Å; N371-R388 VanDerWaalsContact O-N 3.14Å; R388-V392 WeakPolarHBondContact CA-O 3.41Å |
| 389 | Y | 64.1 | Low | 62.8 | Low | 106 Ų | 106 | 65.8 Ų | 65.8 | 42% | 0.416 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 120.8 | 178.8 | -174.5 | -95.7 | 0 | 0 | 0 | 109 | C369 G391 V392 | C369-Y389 HydrophobicContact CB-CD2 3.99Å; C369-Y389 WeakPolarHBondContact SG-CD2 3.5Å; Y389-G391 PolarHBondContact O-N 2.75Å; Y389-V392 PolarHBondContact N-O 2.8Å; Y389-V392 PolarHBondContact O-N 2.74Å |
| 390 | E | 62.9 | Low | 62.8 | Low | 96 Ų | 96 | 61.6 Ų | 61.6 | 45% | 0.449 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.1 | 53.5 | 173.3 | -64.9 | -179.8 | -169.5 | 0 | 0 | 114.4 | V392 H439 | E390-V392 VanDerWaalsContact C-N 3.28Å; E390-V392 PolarHBondContact O-N 2.81Å; E390-H439 IonicContact OE2-CD2 3.27Å; E390-H439 PolarHBondContact OE2-CD2 2.77Å |
| 391 | G | 65.5 | Low | 62.7 | Low | 35 Ų | 35 | 63.7 Ų | 63.7 | 36% | 0.361 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 1.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y389 | Y389-G391 PolarHBondContact O-N 2.75Š|
| 392 | V | 66.5 | Low | 62.5 | Low | 30 Ų | 30 | 64.8 Ų | 64.8 | 18% | 0.182 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 120.5 | 170.3 | -175.5 | 0 | 0 | 0 | 0 | 109 | R388 Y389 E390 L394 V429 L436 | R388-V392 WeakPolarHBondContact CA-O 3.41Å; Y389-V392 PolarHBondContact N-O 2.8Å; Y389-V392 PolarHBondContact O-N 2.74Å; E390-V392 VanDerWaalsContact C-N 3.28Å; E390-V392 PolarHBondContact O-N 2.81Å; V392-L394 HydrophobicContact CG1-CD1 4.49Å; V392-V429 HydrophobicContact CG1-CG1 3.96Å; V392-L436 HydrophobicContact CG2-CD2 4.02Å; V392-L436 HydrophobicContact CG2-CG 4.3Å |
| 393 | S | 71 | Confident | 62.5 | Low | 18 Ų | 18 | 66.1 Ų | 66.1 | 13% | 0.126 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 109.9 | 167.4 | 41.6 | 0 | 0 | 0 | 0 | 110.2 | E430 | S393-E430 PolarHBondContact N-O 2.82Å; S393-E430 PolarHBondContact O-N 3.47Å; S393-E430 PolarHBondContact OG-O 2.94Å |
| 394 | L | 70.5 | Confident | 62 | Low | 53 Ų | 53 | 69.9 Ų | 69.9 | 28% | 0.277 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 117.3 | 167.1 | -91.5 | 142.7 | 0 | 0 | 0 | 108.1 | S386 I387 V392 V427 V429 | S386-L394 CarbonylContact C-O 3.57Å; S386-L394 VanDerWaalsContact CA-O 3.25Å; S386-L394 WeakPolarHBondContact CA-O 3.33Å; I387-L394 HydrophobicContact CB-CB 4.42Å; I387-L394 PolarHBondContact N-O 2.9Å; I387-L394 PolarHBondContact O-N 3.07Å; V392-L394 HydrophobicContact CG1-CD1 4.49Å; L394-V427 HydrophobicContact CD2-CG1 4.05Å; L394-V429 HydrophobicContact CD2-CG2 3.76Å; L394-V429 HydrophobicContact CG-CG2 4.35Å |
| 395 | V | 70 | Confident | 61.4 | Low | 41 Ų | 41 | 69.7 Ų | 69.7 | 25% | 0.248 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 116.2 | 177.5 | -178.5 | 0 | 0 | 0 | 0 | 108.5 | Q397 R428 | V395-Q397 HydrophobicContact CG1-CG 4.38Å; V395-R428 HydrophobicContact CB-CB 4.34Å; V395-R428 PolarHBondContact N-O 2.8Å; V395-R428 PolarHBondContact O-N 3.34Å |
| 396 | W | 69 | Low | 60.2 | Low | 83 Ų | 83 | 73 Ų | 73 | 31% | 0.314 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 125.5 | 176.4 | -55.1 | -15.4 | 0 | 0 | 0 | 109 | R384 L385 I387 | R384-W396 VanDerWaalsContact CA-O 3.26Å; R384-W396 WeakPolarHBondContact CA-O 3.4Å; L385-W396 HydrophobicContact CB-CB 4.33Å; L385-W396 HydrophobicContact CB-CD2 4.07Å; L385-W396 HydrophobicContact CB-CE3 3.51Å; L385-W396 HydrophobicContact CB-CG 4.46Å; L385-W396 HydrophobicContact CB-CZ3 4.16Å; L385-W396 HydrophobicContact CD2-CD2 4.1Å; L385-W396 HydrophobicContact CD2-CE3 3.37Å; L385-W396 HydrophobicContact CD2-CH2 3.61Å; L385-W396 HydrophobicContact CD2-CZ2 4.3Å; L385-W396 HydrophobicContact CD2-CZ3 3.11Å; L385-W396 HydrophobicContact CG-CE3 4.04Å; L385-W396 HydrophobicContact CG-CZ3 4.21Å; L385-W396 PolarHBondContact N-O 3.12Å; L385-W396 WeakPolarHBondContact O-CB 3.4Å; L385-W396 PolarHBondContact O-N 3.24Å; I387-W396 HydrophobicContact CD1-CH2 4.04Å; I387-W396 HydrophobicContact CD1-CZ2 4.07Å |
| 397 | Q | 60.3 | Low | 58.5 | Low | 106 Ų | 106 | 81.4 Ų | 81.4 | 50% | 0.495 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 156.4 | 176 | -73.1 | -171.1 | -30.3 | 0 | 0 | 110.3 | V395 Y426 | V395-Q397 HydrophobicContact CG1-CG 4.38Å; Q397-Y426 HydrophobicContact CB-CD1 4Å; Q397-Y426 PolarHBondContact N-O 3.1Å |
| 398 | P | 54 | Low | 56.7 | Low | 58 Ų | 58 | 83.6 Ų | 83.6 | 38% | 0.377 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | -72.2 | 149.5 | -124.1 | 30.3 | -35.7 | 0 | 0 | 0 | 116.1 | |||
| 399 | H | 54.4 | Low | 55.2 | Low | 80 Ų | 80 | 84.5 Ų | 84.5 | 37% | 0.37 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 95.4 | 85.3 | 173.1 | -45.7 | -47.3 | 0 | 0 | 0 | 116 | ||
| 400 | L | 50.6 | Low | 53.9 | Low | 49 Ų | 49 | 85.1 Ų | 85.1 | 26% | 0.257 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 117 | 146.3 | -173.7 | 89.7 | 0 | 0 | 0 | 107 | V380 S381 L382 L422 C423 L424 | V380-L400 VanDerWaalsContact O-O 3.13Å; S381-L400 WeakPolarHBondContact CA-O 3.32Å; L382-L400 HydrophobicContact CB-CB 4.2Å; L382-L400 HydrophobicContact CB-CD2 4.41Å; L382-L400 PolarHBondContact O-N 2.89Å; L400-L422 HydrophobicContact CD1-CD2 4.33Å; L400-C423 WeakPolarHBondContact CA-O 3.46Å; L400-L424 HydrophobicContact CD1-CD2 3.34Å; L400-L424 HydrophobicContact CD1-CG 3.82Å |
| 401 | L | 53.5 | Low | 52.7 | Low | 76 Ų | 76 | 83.9 Ų | 83.9 | 40% | 0.398 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 121.6 | 178.4 | -122.7 | 152.8 | 0 | 0 | 0 | 107.9 | V380 Q403 C423 | V380-L401 HydrophobicContact CG1-CD2 4.27Å; L401-Q403 HydrophobicContact CB-CG 4.42Å; L401-Q403 HydrophobicContact CD2-CG 4.02Å; L401-Q403 PolarHBondContact O-N 3.27Å; L401-C423 HydrophobicContact CB-CB 4.44Å; L401-C423 PolarHBondContact N-O 2.79Å; L401-C423 VanDerWaalsContact N-O 3.13Å; L401-C423 WeakPolarHBondContact O-CB 3.48Å; L401-C423 PolarHBondContact O-N 2.85Å |
| 402 | L | 49.7 | Very low | 51.8 | Low | 65.5 Ų | 65.5 | 90.2 Ų | 90.2 | 34% | 0.343 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 96.3 | 174.1 | -162.3 | 117.3 | 0 | 0 | 0 | 108.2 | N13 N14 V420 L422 | N13-L402 VanDerWaalsContact CG-O 3.29Å; N13-L402 VanDerWaalsContact ND2-CD2 3.26Å; N13-L402 WeakPolarHBondContact ND2-CD2 3.25Å; N13-L402 PolarHBondContact ND2-O 2.83Å; N13-L402 PolarHBondContact OD1-O 3.25Å; N14-L402 PolarHBondContact ND2-O 2.81Å; L402-V420 HydrophobicContact CD1-CG1 4.07Å; L402-V420 HydrophobicContact CD2-CG1 4.28Å; L402-V420 HydrophobicContact CG-CG1 4.06Å; L402-L422 HydrophobicContact CD1-CD2 3.92Å; L402-L422 HydrophobicContact CD1-CG 4.32Å |
| 403 | Q | 56 | Low | 50.9 | Low | 79 Ų | 79 | 95.8 Ų | 95.8 | 37% | 0.369 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 109.8 | 178.7 | -74.3 | -176.9 | -18.3 | 0 | 0 | 110.4 | N14 L401 V421 | N14-Q403 WeakPolarHBondContact OD1-CA 3.44Å; L401-Q403 HydrophobicContact CB-CG 4.42Å; L401-Q403 HydrophobicContact CD2-CG 4.02Å; L401-Q403 PolarHBondContact O-N 3.27Å; Q403-V421 PolarHBondContact N-O 2.85Å; Q403-V421 WeakPolarHBondContact O-CA 3.24Å; Q403-V421 WeakPolarHBondContact O-CB 3.43Å; Q403-V421 PolarHBondContact O-N 2.79Å |
| 404 | L | 49.7 | Very low | 49.9 | Very low | 97 Ų | 97 | 98.6 Ų | 98.6 | 51% | 0.508 | 52% | 0.522 | S | S | . | . | trans | -76.2 | 111.5 | 159.6 | -68.5 | 134.9 | 0 | 0 | 0 | 107.6 | N13 N14 G15 Y419 V420 | N13-L404 HydrophobicContact CB-CD1 4.25Å; N14-L404 HydrophobicContact CB-CB 3.37Å; N14-L404 HydrophobicContact CB-CD1 3.82Å; N14-L404 HydrophobicContact CB-CG 4.1Å; N14-L404 WeakPolarHBondContact CB-O 3.49Å; N14-L404 VanDerWaalsContact ND2-CA 3.31Å; N14-L404 WeakPolarHBondContact ND2-CA 3.44Å; N14-L404 WeakPolarHBondContact ND2-CB 3.22Å; N14-L404 WeakPolarHBondContact ND2-CD1 3.35Å; N14-L404 WeakPolarHBondContact ND2-CG 3.43Å; N14-L404 PolarHBondContact ND2-N 2.98Å; N14-L404 WeakPolarHBondContact OD1-CA 3.5Å; N14-L404 PolarHBondContact OD1-N 3.24Å; N14-L404 PolarHBondContact OD1-O 3.36Å; G15-L404 PolarHBondContact N-O 3.29Å; L404-Y419 WeakPolarHBondContact CA-O 3.5Å; L404-Y419 WeakPolarHBondContact CB-O 3.38Å; L404-Y419 VanDerWaalsContact CD2-O 3.31Å; L404-Y419 WeakPolarHBondContact CD2-O 3.41Å; L404-Y419 WeakPolarHBondContact CG-O 3.44Å; L404-V420 HydrophobicContact CD2-CG2 3.65Å; L404-V420 HydrophobicContact CG-CG2 3.97Å | ||
| 405 | Y | 49.5 | Very low | 48.8 | Very low | 161 Ų | 161 | 108.1 Ų | 108.1 | 63% | 0.631 | 55% | 0.554 | S | S | * | * | B | Isolated β-bridge | trans | -89.3 | 126.7 | -178.9 | -117.5 | -88.5 | 0 | 0 | 0 | 110.4 | V421 | Y405-V421 HydrophobicContact CD2-CG2 4.17Å |
| 406 | S | 40.8 | Very low | 47.9 | Very low | 79.5 Ų | 79.5 | 109.3 Ų | 109.3 | 56% | 0.556 | 56% | 0.559 | S | S | * | * | trans | -105.1 | 133.8 | 157.9 | 116.4 | 0 | 0 | 0 | 0 | 109.8 | G15 Q16 | G15-S406 WeakPolarHBondContact O-CB 3.36Å; G15-S406 PolarHBondContact O-N 3.09Å; G15-S406 VanDerWaalsContact O-N 3.09Å; Q16-S406 WeakPolarHBondContact O-CB 3.25Å; Q16-S406 PolarHBondContact O-OG 3.37Å; Q16-S406 PolarHBondContact OE1-O 2.93Å | ||
| 407 | R | 34.8 | Very low | 47.1 | Very low | 219 Ų | 219 | 112.2 Ų | 112.2 | 83% | 0.826 | 58% | 0.58 | S | S | * | * | trans | -11.3 | 131 | 177.8 | -96.5 | 179.4 | 176.3 | 169.4 | 0.6 | 118.3 | Q16 D417 | Q16-R407 PolarHBondContact OE1-O 3.21Å; R407-D417 IonicContact CZ-OD1 3.87Å; R407-D417 IonicContact NE-OD1 3.77Å; R407-D417 IonicContact NH2-OD1 3.14Å; R407-D417 PolarHBondContact NH2-OD1 3.28Å; R407-D417 VanDerWaalsContact NH2-OD1 3.14Å; R407-D417 IonicContact NH2-OD2 3.93Å | ||
| 408 | A | 33 | Very low | 46.9 | Very low | 69.5 Ų | 69.5 | 108.5 Ų | 108.5 | 57% | 0.574 | 57% | 0.565 | S | S | * | * | trans | 112.2 | 139 | 134.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | Q16 | Q16-A408 PolarHBondContact NE2-O 3.44Š| ||
| 409 | L | 32.9 | Very low | 47.1 | Very low | 174 Ų | 174 | 113.9 Ų | 113.9 | 91% | 0.911 | 58% | 0.579 | S | S | * | * | trans | 85.6 | 90 | 166.9 | -68.4 | 117.2 | 0 | 0 | 0 | 119.9 | ||||
| 410 | S | 37.6 | Very low | 47.4 | Very low | 117.5 Ų | 117.5 | 111.5 Ų | 111.5 | 82% | 0.822 | 57% | 0.57 | S | S | * | * | trans | -179.8 | 126.9 | 131.8 | 177.6 | 0 | 0 | 0 | 0 | 110.4 | N412 | S410-N412 PolarHBondContact O-N 3.1Š| ||
| 411 | G | 38.1 | Very low | 48.2 | Very low | 70.5 Ų | 70.5 | 110 Ų | 110 | 73% | 0.727 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | 109.1 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 412 | N | 45.1 | Very low | 48.9 | Very low | 168.5 Ų | 168.5 | 108.2 Ų | 108.2 | 90% | 0.901 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 163.6 | 5 | 148.3 | -95.6 | -17.3 | 0 | 0 | 0 | 113.7 | S410 | S410-N412 PolarHBondContact O-N 3.1Š|
| 413 | R | 47.9 | Very low | 49.9 | Very low | 146.5 Ų | 146.5 | 105.8 Ų | 105.8 | 55% | 0.553 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -100 | 142 | 175.6 | -66.1 | -173.3 | 178.6 | -164.5 | -4.2 | 111.3 | R415 E465 | R413-R415 PolarHBondContact O-N 2.96Å; R413-E465 IonicContact CZ-OE1 2.85Å; R413-E465 VanDerWaalsContact CZ-OE1 3.24Å; R413-E465 VanDerWaalsContact NH1-CD 3.28Å; R413-E465 IonicContact NH1-OE1 2.91Å; R413-E465 PolarHBondContact NH1-OE1 2.97Å; R413-E465 IonicContact NH1-OE2 2.87Å; R413-E465 PolarHBondContact NH1-OE2 2.89Å; R413-E465 IonicContact NH2-OE1 3.44Å; R413-E465 PolarHBondContact NH2-OE1 3.22Å |
| 414 | P | 49.8 | Very low | 50.7 | Low | 78 Ų | 78 | 104.1 Ų | 104.1 | 51% | 0.506 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 137.2 | 179.1 | 24.9 | -32.5 | 0 | 0 | 0 | 111 | L416 Y506 | P414-L416 HydrophobicContact CG-CD1 4.26Å; P414-L416 PolarHBondContact O-N 3.02Å; P414-Y506 HydrophobicContact CG-CE2 4.32Å |
| 415 | R | 47.5 | Very low | 51.9 | Low | 252.5 Ų | 252.5 | 103.3 Ų | 103.3 | 95% | 0.953 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 116.6 | 176.4 | -68.8 | 178.1 | 176.4 | 172.1 | -1.7 | 109.3 | R413 | R413-R415 PolarHBondContact O-N 2.96Š|
| 416 | L | 52.4 | Low | 53.4 | Low | 64.5 Ų | 64.5 | 98.6 Ų | 98.6 | 34% | 0.338 | 51% | 0.513 | S | S | . | . | trans | -139 | 129.4 | 178.2 | -70.3 | 168.9 | 0 | 0 | 0 | 111.2 | P414 T418 Y492 A494 | P414-L416 HydrophobicContact CG-CD1 4.26Å; P414-L416 PolarHBondContact O-N 3.02Å; L416-T418 PolarHBondContact O-N 2.92Å; L416-Y492 HydrophobicContact CD1-CD1 3.97Å; L416-Y492 VanDerWaalsContact CD1-CD1 3.5Å; L416-Y492 HydrophobicContact CD1-CD2 4.12Å; L416-Y492 HydrophobicContact CD1-CE1 4.17Å; L416-Y492 HydrophobicContact CD1-CG 3.8Å; L416-Y492 VanDerWaalsContact CD1-CG 3.47Å; L416-A494 HydrophobicContact CD2-CB 3.84Å | ||
| 417 | D | 52.5 | Low | 55.2 | Low | 144 Ų | 144 | 95.5 Ų | 95.5 | 77% | 0.77 | 49% | 0.491 | S | S | * | . | trans | -84.3 | 79.5 | 174.1 | -65.8 | -38.7 | 0 | 0 | 0 | 109.5 | R407 | R407-D417 IonicContact CZ-OD1 3.87Å; R407-D417 IonicContact NE-OD1 3.77Å; R407-D417 IonicContact NH2-OD1 3.14Å; R407-D417 PolarHBondContact NH2-OD1 3.28Å; R407-D417 VanDerWaalsContact NH2-OD1 3.14Å; R407-D417 IonicContact NH2-OD2 3.93Å | ||
| 418 | T | 54.8 | Low | 57.3 | Low | 29.5 Ų | 29.5 | 90.5 Ų | 90.5 | 18% | 0.181 | 47% | 0.472 | C | S | . | . | trans | -122.6 | 132.6 | 174.5 | 48.6 | 0 | 0 | 0 | 0 | 110.6 | L416 | L416-T418 PolarHBondContact O-N 2.92Š| ||
| 419 | Y | 59.3 | Low | 59.6 | Low | 170.5 Ų | 170.5 | 88.4 Ų | 88.4 | 67% | 0.669 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -83.3 | -25.2 | -168.3 | -64.8 | -84.3 | 0 | 0 | 0 | 113.8 | L404 V461 | L404-Y419 WeakPolarHBondContact CA-O 3.5Å; L404-Y419 WeakPolarHBondContact CB-O 3.38Å; L404-Y419 VanDerWaalsContact CD2-O 3.31Å; L404-Y419 WeakPolarHBondContact CD2-O 3.41Å; L404-Y419 WeakPolarHBondContact CG-O 3.44Å; Y419-V461 HydrophobicContact CD2-CG1 4.41Å; Y419-V461 PolarHBondContact N-O 3.34Å |
| 420 | V | 60.7 | Low | 61.8 | Low | 29.5 Ų | 29.5 | 83.2 Ų | 83.2 | 18% | 0.179 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 123.8 | -174.9 | -177 | 0 | 0 | 0 | 0 | 111 | L402 L404 V461 V462 A463 | L402-V420 HydrophobicContact CD1-CG1 4.07Å; L402-V420 HydrophobicContact CD2-CG1 4.28Å; L402-V420 HydrophobicContact CG-CG1 4.06Å; L404-V420 HydrophobicContact CD2-CG2 3.65Å; L404-V420 HydrophobicContact CG-CG2 3.97Å; V420-V461 HydrophobicContact CG2-CG1 4.39Å; V420-V461 PolarHBondContact N-O 2.86Å; V420-V462 HydrophobicContact CB-CG2 4.37Å; V420-V462 CarbonylContact O-C 3.53Å; V420-V462 VanDerWaalsContact O-CA 3.23Å; V420-V462 WeakPolarHBondContact O-CA 3.41Å; V420-A463 PolarHBondContact O-N 3.23Å |
| 421 | V | 66.7 | Low | 63.6 | Low | 18 Ų | 18 | 78 Ų | 78 | 11% | 0.109 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 123.2 | 172.4 | -170.5 | 0 | 0 | 0 | 0 | 109.8 | Q403 Y405 A463 E465 | Q403-V421 PolarHBondContact N-O 2.85Å; Q403-V421 WeakPolarHBondContact O-CA 3.24Å; Q403-V421 WeakPolarHBondContact O-CB 3.43Å; Q403-V421 PolarHBondContact O-N 2.79Å; Y405-V421 HydrophobicContact CD2-CG2 4.17Å; V421-A463 CarbonylContact C-O 3.58Å; V421-A463 WeakPolarHBondContact CA-O 3.27Å; V421-A463 HydrophobicContact CG1-CB 4.44Å; V421-A463 HydrophobicContact CG2-CB 4.27Å; V421-E465 HydrophobicContact CG1-CB 4.15Å |
| 422 | L | 69 | Low | 65 | Low | 37.5 Ų | 37.5 | 76.1 Ų | 76.1 | 20% | 0.196 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 108.8 | 173.2 | -82.8 | 165.4 | 0 | 0 | 0 | 109.8 | L400 L402 V462 A463 F464 E465 | L400-L422 HydrophobicContact CD1-CD2 4.33Å; L402-L422 HydrophobicContact CD1-CD2 3.92Å; L402-L422 HydrophobicContact CD1-CG 4.32Å; L422-V462 HydrophobicContact CD1-CG1 3.6Å; L422-V462 HydrophobicContact CG-CG1 4.11Å; L422-A463 PolarHBondContact N-O 3.37Å; L422-F464 HydrophobicContact CB-CD1 3.86Å; L422-F464 HydrophobicContact CB-CE1 3.99Å; L422-F464 HydrophobicContact CD1-CD1 4.18Å; L422-F464 HydrophobicContact CD1-CE1 3.45Å; L422-F464 VanDerWaalsContact CD1-CE1 3.45Å; L422-F464 HydrophobicContact CD1-CE2 4.42Å; L422-F464 HydrophobicContact CD1-CZ 3.62Å; L422-F464 HydrophobicContact CG-CE1 4.36Å; L422-E465 PolarHBondContact O-N 3.13Å |
| 423 | C | 69.4 | Low | 65.6 | Low | 16.5 Ų | 16.5 | 69.8 Ų | 69.8 | 11% | 0.111 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 123.4 | -179.2 | -62.7 | 0 | 0 | 0 | 0 | 111.8 | L400 L401 E465 | L400-C423 WeakPolarHBondContact CA-O 3.46Å; L401-C423 HydrophobicContact CB-CB 4.44Å; L401-C423 PolarHBondContact N-O 2.79Å; L401-C423 VanDerWaalsContact N-O 3.13Å; L401-C423 WeakPolarHBondContact O-CB 3.48Å; L401-C423 PolarHBondContact O-N 2.85Å; C423-E465 CarbonylContact C-O 3.58Å; C423-E465 VanDerWaalsContact CA-O 3.26Å; C423-E465 WeakPolarHBondContact CA-O 3.34Å |
| 424 | L | 73.3 | Confident | 66.1 | Low | 43 Ų | 43 | 67 Ų | 67 | 23% | 0.225 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 104.8 | 176.8 | -74 | 163.7 | 0 | 0 | 0 | 110.1 | L400 V427 E465 V466 G467 | L400-L424 HydrophobicContact CD1-CD2 3.34Å; L400-L424 HydrophobicContact CD1-CG 3.82Å; L424-V427 HydrophobicContact CB-CG2 4.43Å; L424-V427 HydrophobicContact CD2-CG2 4.5Å; L424-E465 PolarHBondContact N-O 3.09Å; L424-V466 HydrophobicContact CB-CB 4.26Å; L424-V466 HydrophobicContact CB-CG1 3.86Å; L424-V466 HydrophobicContact CB-CG2 4.1Å; L424-V466 HydrophobicContact CD1-CG2 4.03Å; L424-V466 CarbonylContact O-C 3.53Å; L424-V466 WeakPolarHBondContact O-CA 3.41Å; L424-V466 VanDerWaalsContact O-CG1 3.3Å; L424-V466 WeakPolarHBondContact O-CG1 3.46Å; L424-G467 PolarHBondContact O-N 3.36Å |
| 425 | N | 75 | Confident | 66.3 | Low | 80.5 Ų | 80.5 | 66.9 Ų | 66.9 | 43% | 0.43 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | -45.6 | -171.4 | -70.6 | -18.6 | 0 | 0 | 0 | 115.1 | G467 S468 | N425-G467 CarbonylContact O-C 3.47Å; N425-G467 WeakPolarHBondContact O-CA 3.39Å; N425-S468 PolarHBondContact O-N 3.4Å; N425-S468 PolarHBondContact O-OG 3.04Å; N425-S468 VanDerWaalsContact O-OG 3.06Å |
| 426 | Y | 79.9 | Confident | 66.5 | Low | 62 Ų | 62 | 59 Ų | 59 | 24% | 0.243 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 121.5 | -175.6 | -175.4 | -93.3 | 0 | 0 | 0 | 111.9 | Q397 R428 S468 N470 | Q397-Y426 HydrophobicContact CB-CD1 4Å; Q397-Y426 PolarHBondContact N-O 3.1Å; Y426-R428 HydrophobicContact CE1-CB 3.8Å; Y426-S468 CarbonylContact C-O 3.53Å; Y426-S468 VanDerWaalsContact CA-O 3.3Å; Y426-S468 WeakPolarHBondContact CA-O 3.32Å; Y426-S468 VanDerWaalsContact CD2-OG 3.23Å; Y426-S468 WeakPolarHBondContact CD2-OG 3.26Å; Y426-N470 WeakPolarHBondContact CE2-ND2 3.41Å; Y426-N470 PolarHBondContact OH-ND2 3.04Å; Y426-N470 VanDerWaalsContact OH-ND2 3.08Å |
| 427 | V | 79.2 | Confident | 66.5 | Low | 15 Ų | 15 | 64.3 Ų | 64.3 | 9% | 0.091 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 120.5 | 177.3 | 179.2 | 0 | 0 | 0 | 0 | 109.4 | L394 L424 V429 V466 S468 V469 N470 | L394-V427 HydrophobicContact CD2-CG1 4.05Å; L424-V427 HydrophobicContact CB-CG2 4.43Å; L424-V427 HydrophobicContact CD2-CG2 4.5Å; V427-V429 HydrophobicContact CG1-CG2 4.17Å; V427-V466 HydrophobicContact CG2-CG1 4.22Å; V427-S468 PolarHBondContact N-O 2.89Å; V427-V469 HydrophobicContact CB-CG1 4.21Å; V427-V469 HydrophobicContact CB-CG2 4.19Å; V427-V469 HydrophobicContact CG1-CG1 4.3Å; V427-V469 CarbonylContact O-C 3.44Å; V427-V469 VanDerWaalsContact O-CA 3.24Å; V427-V469 WeakPolarHBondContact O-CA 3.32Å; V427-N470 PolarHBondContact O-N 3.12Å |
| 428 | R | 79.5 | Confident | 66.3 | Low | 112 Ų | 112 | 64.5 Ų | 64.5 | 42% | 0.423 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 128.9 | 172.7 | -173.7 | 178.5 | -178 | 160.1 | 1.2 | 110 | V395 Y426 E430 N470 | V395-R428 HydrophobicContact CB-CB 4.34Å; V395-R428 PolarHBondContact N-O 2.8Å; V395-R428 PolarHBondContact O-N 3.34Å; Y426-R428 HydrophobicContact CE1-CB 3.8Å; R428-E430 HydrophobicContact CG-CG 4.06Å; R428-E430 IonicContact CZ-OE1 2.84Å; R428-E430 IonicContact NE-OE1 3.38Å; R428-E430 PolarHBondContact NE-OE1 2.93Å; R428-E430 IonicContact NH2-OE1 3.17Å; R428-E430 PolarHBondContact NH2-OE1 3.03Å; R428-N470 CarbonylContact C-O 3.55Å; R428-N470 VanDerWaalsContact CA-O 3.28Å; R428-N470 WeakPolarHBondContact CA-O 3.33Å |
| 429 | V | 80.6 | Confident | 66 | Low | 26 Ų | 26 | 68.6 Ų | 68.6 | 16% | 0.158 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 118.5 | 175.9 | -174.6 | 0 | 0 | 0 | 0 | 107.9 | V392 L394 V427 N470 V471 A472 | V392-V429 HydrophobicContact CG1-CG1 3.96Å; L394-V429 HydrophobicContact CD2-CG2 3.76Å; L394-V429 HydrophobicContact CG-CG2 4.35Å; V427-V429 HydrophobicContact CG1-CG2 4.17Å; V429-N470 PolarHBondContact N-O 3.15Å; V429-V471 HydrophobicContact CB-CB 4.45Å; V429-V471 HydrophobicContact CB-CG1 4.25Å; V429-V471 HydrophobicContact CB-CG2 4.14Å; V429-V471 HydrophobicContact CG1-CG1 4.46Å; V429-V471 HydrophobicContact CG2-CG2 4.3Å; V429-V471 CarbonylContact O-C 3.55Å; V429-V471 VanDerWaalsContact O-CA 3.32Å; V429-V471 WeakPolarHBondContact O-CA 3.14Å; V429-A472 PolarHBondContact O-N 2.97Å |
| 430 | E | 78.8 | Confident | 65.4 | Low | 65.5 Ų | 65.5 | 71.4 Ų | 71.4 | 31% | 0.306 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 132.3 | 174.5 | -50.4 | -170.6 | 135.1 | 0 | 0 | 109.8 | S393 R428 A472 | S393-E430 PolarHBondContact N-O 2.82Å; S393-E430 PolarHBondContact O-N 3.47Å; S393-E430 PolarHBondContact OG-O 2.94Å; R428-E430 HydrophobicContact CG-CG 4.06Å; R428-E430 IonicContact CZ-OE1 2.84Å; R428-E430 IonicContact NE-OE1 3.38Å; R428-E430 PolarHBondContact NE-OE1 2.93Å; R428-E430 IonicContact NH2-OE1 3.17Å; R428-E430 PolarHBondContact NH2-OE1 3.03Å; E430-A472 VanDerWaalsContact CA-O 3.3Å; E430-A472 WeakPolarHBondContact CA-O 3.29Å |
| 431 | S | 76.1 | Confident | 64.4 | Low | 7.5 Ų | 7.5 | 77.5 Ų | 77.5 | 5% | 0.052 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 154.3 | 177.4 | 179.1 | 0 | 0 | 0 | 0 | 111.7 | L436 A472 L473 L474 | S431-L436 VanDerWaalsContact OG-CD1 3.26Å; S431-L436 WeakPolarHBondContact OG-CD1 3.43Å; S431-A472 PolarHBondContact N-O 3.08Å; S431-A472 VanDerWaalsContact N-O 3.1Å; S431-L473 CarbonylContact O-C 3.56Å; S431-L473 VanDerWaalsContact O-CA 3.31Å; S431-L473 WeakPolarHBondContact O-CA 3.36Å; S431-L474 PolarHBondContact O-N 2.74Å |
| 432 | S | 67.1 | Low | 63.4 | Low | 31.5 Ų | 31.5 | 80.8 Ų | 80.8 | 22% | 0.22 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 134.6 | 165.4 | 143.9 | 0 | 0 | 0 | 0 | 109.7 | C434 D435 | S432-C434 PolarHBondContact O-N 3.12Å; S432-D435 PolarHBondContact O-N 3.33Å; S432-D435 PolarHBondContact OG-OD2 2.79Å |
| 433 | L | 57.8 | Low | 62.1 | Low | 36 Ų | 36 | 90 Ų | 90 | 19% | 0.188 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -69.7 | -16.8 | -176.5 | -159.6 | 116.1 | 0 | 0 | 0 | 113.5 | D435 L436 R437 L474 D475 T476 | L433-D435 VanDerWaalsContact C-N 3.25Å; L433-D435 PolarHBondContact O-N 3.08Å; L433-L436 PolarHBondContact O-N 3.05Å; L433-R437 HydrophobicContact CD2-CG 4.35Å; L433-R437 PolarHBondContact O-N 2.98Å; L433-L474 PolarHBondContact N-O 3.21Å; L433-D475 WeakPolarHBondContact CB-O 3.33Å; L433-T476 HydrophobicContact CD1-CG2 3.89Å |
| 434 | C | 57.6 | Low | 60.8 | Low | 87 Ų | 87 | 94.4 Ų | 94.4 | 59% | 0.588 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -62.5 | -32.7 | 173.4 | -77.7 | 0 | 0 | 0 | 0 | 112 | S432 | S432-C434 PolarHBondContact O-N 3.12Å |
| 435 | D | 54.2 | Low | 59.3 | Low | 77 Ų | 77 | 103 Ų | 103 | 41% | 0.412 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -80.4 | -30.6 | -177.1 | -57.1 | -36.6 | 0 | 0 | 0 | 112.1 | S432 L433 R437 | S432-D435 PolarHBondContact O-N 3.33Å; S432-D435 PolarHBondContact OG-OD2 2.79Å; L433-D435 VanDerWaalsContact C-N 3.25Å; L433-D435 PolarHBondContact O-N 3.08Å; D435-R437 PolarHBondContact O-N 3.08Å |
| 436 | L | 52.8 | Low | 57.7 | Low | 86.5 Ų | 86.5 | 108.6 Ų | 108.6 | 45% | 0.453 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -75.8 | -21.6 | -178.5 | -80.6 | 159.8 | 0 | 0 | 0 | 114.8 | V392 S431 L433 | V392-L436 HydrophobicContact CG2-CD2 4.02Å; V392-L436 HydrophobicContact CG2-CG 4.3Å; S431-L436 VanDerWaalsContact OG-CD1 3.26Å; S431-L436 WeakPolarHBondContact OG-CD1 3.43Å; L433-L436 PolarHBondContact O-N 3.05Å |
| 437 | R | 51.2 | Low | 56.1 | Low | 175.5 Ų | 175.5 | 110.3 Ų | 110.3 | 66% | 0.662 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -79.8 | -16.4 | -175 | -79.8 | -171.6 | -178.9 | 171.4 | 9.2 | 114.5 | L433 D435 H439 | L433-R437 HydrophobicContact CD2-CG 4.35Å; L433-R437 PolarHBondContact O-N 2.98Å; D435-R437 PolarHBondContact O-N 3.08Å; R437-H439 VanDerWaalsContact C-N 3.27Å; R437-H439 PolarHBondContact O-N 3.02Å |
| 438 | L | 48.8 | Very low | 55 | Low | 148.5 Ų | 148.5 | 114.4 Ų | 114.4 | 78% | 0.777 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -11.2 | -175.4 | -79.7 | 160.8 | 0 | 0 | 0 | 114.4 | ||
| 439 | H | 48.2 | Very low | 54 | Low | 116 Ų | 116 | 113.8 Ų | 113.8 | 54% | 0.537 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -123.7 | 52.1 | -175.7 | -99.4 | -20.5 | 0 | 0 | 0 | 115.7 | E390 R437 N441 S442 | E390-H439 IonicContact OE2-CD2 3.27Å; E390-H439 PolarHBondContact OE2-CD2 2.77Å; R437-H439 VanDerWaalsContact C-N 3.27Å; R437-H439 PolarHBondContact O-N 3.02Å; H439-N441 PolarHBondContact O-N 2.76Å; H439-S442 PolarHBondContact O-N 2.99Å |
| 440 | R | 46.6 | Very low | 53.1 | Low | 227.5 Ų | 227.5 | 121.2 Ų | 121.2 | 86% | 0.858 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -0.8 | 171.5 | -153.1 | 175.2 | -177.1 | -172.9 | -1.3 | 114.5 | ||
| 441 | N | 41 | Very low | 52 | Low | 159.5 Ų | 159.5 | 121.7 Ų | 121.7 | 85% | 0.853 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | 3 | -174.7 | -86.8 | -2 | 0 | 0 | 0 | 116.7 | H439 R443 | H439-N441 PolarHBondContact O-N 2.76Å; N441-R443 PolarHBondContact O-N 2.79Å |
| 442 | S | 46 | Very low | 51.1 | Low | 86.5 Ų | 86.5 | 126.4 Ų | 126.4 | 61% | 0.605 | 61% | 0.605 | S | S | * | * | trans | -86.5 | 71 | 170.7 | 64.9 | 0 | 0 | 0 | 0 | 111.8 | H439 T444 | H439-S442 PolarHBondContact O-N 2.99Å; S442-T444 PolarHBondContact O-N 2.95Å | ||
| 443 | R | 40 | Very low | 51 | Low | 229.5 Ų | 229.5 | 127.9 Ų | 127.9 | 87% | 0.866 | 62% | 0.615 | S | S | * | * | trans | -72.2 | 63.7 | 166.9 | -96.5 | -175.7 | 177.3 | 179.8 | -1.3 | 110.4 | N441 R445 | N441-R443 PolarHBondContact O-N 2.79Å; R443-R445 PolarHBondContact O-N 2.82Å | ||
| 444 | T | 43.3 | Very low | 51.2 | Low | 110 Ų | 110 | 129.1 Ų | 129.1 | 68% | 0.675 | 62% | 0.621 | S | S | * | * | trans | -115.9 | 89.7 | 178.9 | 47 | 0 | 0 | 0 | 0 | 111.4 | S442 W446 | S442-T444 PolarHBondContact O-N 2.95Å; T444-W446 VanDerWaalsContact C-N 3.3Å; T444-W446 PolarHBondContact O-N 2.75Å | ||
| 445 | R | 40.8 | Very low | 51.4 | Low | 223.5 Ų | 223.5 | 128.2 Ų | 128.2 | 84% | 0.843 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -75 | 32.8 | 147.2 | -119.3 | 175.1 | -163.9 | 175.7 | 5.4 | 117.7 | R443 | R443-R445 PolarHBondContact O-N 2.82Š|
| 446 | W | 42.7 | Very low | 51.9 | Low | 198 Ų | 198 | 127.2 Ų | 127.2 | 75% | 0.75 | 61% | 0.608 | S | S | * | * | trans | -117.1 | 31 | 173.2 | -74.8 | 58.2 | 0 | 0 | 0 | 111.8 | T444 K452 I455 | T444-W446 VanDerWaalsContact C-N 3.3Å; T444-W446 PolarHBondContact O-N 2.75Å; W446-K452 WeakPolarHBondContact O-CE 3.49Å; W446-I455 HydrophobicContact CE3-CD1 4.41Å; W446-I455 HydrophobicContact CZ3-CD1 3.98Å | ||
| 447 | S | 46.7 | Very low | 52.5 | Low | 98 Ų | 98 | 128.8 Ų | 128.8 | 69% | 0.685 | 61% | 0.613 | S | S | * | * | trans | -105 | 18.8 | 179.2 | 82.1 | 0 | 0 | 0 | 0 | 113.6 | P449 | S447-P449 VanDerWaalsContact O-CD 3.26Å; S447-P449 WeakPolarHBondContact O-CD 3.35Å | ||
| 448 | N | 54.4 | Low | 53.1 | Low | 101.5 Ų | 101.5 | 123.5 Ų | 123.5 | 54% | 0.543 | 60% | 0.603 | S | S | . | * | trans | -79.4 | 112.8 | 173.8 | -118.9 | -16.2 | 0 | 0 | 0 | 108.5 | W450 L451 K452 | N448-W450 PolarHBondContact O-N 2.87Å; N448-L451 HydrophobicContact CB-CB 3.97Å; N448-L451 PolarHBondContact O-N 3.41Å; N448-K452 PolarHBondContact O-N 3.17Å; N448-K452 VanDerWaalsContact O-N 3.11Å | ||
| 449 | P | 59.6 | Low | 53.8 | Low | 99 Ų | 99 | 119.4 Ų | 119.4 | 64% | 0.643 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -60.2 | -30.7 | -177.5 | 21.7 | -30.7 | 0 | 0 | 0 | 112 | S447 K452 S453 | S447-P449 VanDerWaalsContact O-CD 3.26Å; S447-P449 WeakPolarHBondContact O-CD 3.35Å; P449-K452 PolarHBondContact O-N 3.28Å; P449-S453 WeakPolarHBondContact O-CB 3.42Å; P449-S453 PolarHBondContact O-N 3.44Å |
| 450 | W | 61.5 | Low | 54.5 | Low | 181 Ų | 181 | 118.6 Ų | 118.6 | 69% | 0.686 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.2 | -44.1 | 172.8 | -174.7 | 77.8 | 0 | 0 | 0 | 112.9 | N448 S453 I454 | N448-W450 PolarHBondContact O-N 2.87Å; W450-S453 PolarHBondContact O-N 3.16Å; W450-I454 HydrophobicContact CD2-CD1 3.56Å; W450-I454 HydrophobicContact CE3-CD1 3.74Å; W450-I454 HydrophobicContact CG-CD1 4.33Å; W450-I454 HydrophobicContact CH2-CD1 3.46Å; W450-I454 VanDerWaalsContact CH2-CD1 3.46Å; W450-I454 HydrophobicContact CZ2-CD1 3.26Å; W450-I454 HydrophobicContact CZ3-CD1 3.69Å; W450-I454 WeakPolarHBondContact O-CB 3.37Å; W450-I454 WeakPolarHBondContact O-CG1 3.32Å; W450-I454 PolarHBondContact O-N 3Å |
| 451 | L | 54.7 | Low | 55.5 | Low | 75.5 Ų | 75.5 | 110.7 Ų | 110.7 | 40% | 0.395 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -72.7 | -34 | -179.1 | -140.9 | 148.9 | 0 | 0 | 0 | 111.2 | N448 I455 | N448-L451 HydrophobicContact CB-CB 3.97Å; N448-L451 PolarHBondContact O-N 3.41Å; L451-I455 HydrophobicContact CD2-CD1 3.62Å; L451-I455 HydrophobicContact CD2-CG1 4.25Å; L451-I455 WeakPolarHBondContact O-CB 3.42Å; L451-I455 WeakPolarHBondContact O-CD1 3.35Å; L451-I455 VanDerWaalsContact O-CG1 3.23Å; L451-I455 WeakPolarHBondContact O-CG1 3.34Å; L451-I455 PolarHBondContact O-N 3.26Å |
| 452 | K | 58.8 | Low | 56.7 | Low | 107 Ų | 107 | 104.5 Ų | 104.5 | 47% | 0.465 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65 | -43.4 | 169 | -75.8 | -174.6 | 176.8 | -177.4 | 0 | 112.4 | W446 N448 P449 I455 C456 L545 | W446-K452 WeakPolarHBondContact O-CE 3.49Å; N448-K452 PolarHBondContact O-N 3.17Å; N448-K452 VanDerWaalsContact O-N 3.11Å; P449-K452 PolarHBondContact O-N 3.28Å; K452-I455 PolarHBondContact O-N 2.85Å; K452-C456 WeakPolarHBondContact O-CB 3.34Å; K452-C456 PolarHBondContact O-N 3.37Å; K452-L545 HydrophobicContact CD-CD1 4.39Å |
| 453 | S | 64.1 | Low | 58 | Low | 62.5 Ų | 62.5 | 100.4 Ų | 100.4 | 44% | 0.437 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 177.6 | -171.3 | 0 | 0 | 0 | 0 | 111.4 | P449 W450 C456 Q457 | P449-S453 WeakPolarHBondContact O-CB 3.42Å; P449-S453 PolarHBondContact O-N 3.44Å; W450-S453 PolarHBondContact O-N 3.16Å; S453-C456 PolarHBondContact O-N 2.77Å; S453-Q457 WeakPolarHBondContact O-CB 3.35Å; S453-Q457 WeakPolarHBondContact O-CG 3.29Å; S453-Q457 PolarHBondContact O-N 2.93Å |
| 454 | I | 62.2 | Low | 59.8 | Low | 61 Ų | 61 | 93 Ų | 93 | 31% | 0.313 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.6 | -46.4 | 174.9 | -71.8 | 173.3 | 0 | 0 | 0 | 111.5 | W450 C456 Q457 C458 | W450-I454 HydrophobicContact CD2-CD1 3.56Å; W450-I454 HydrophobicContact CE3-CD1 3.74Å; W450-I454 HydrophobicContact CG-CD1 4.33Å; W450-I454 HydrophobicContact CH2-CD1 3.46Å; W450-I454 VanDerWaalsContact CH2-CD1 3.46Å; W450-I454 HydrophobicContact CZ2-CD1 3.26Å; W450-I454 HydrophobicContact CZ3-CD1 3.69Å; W450-I454 WeakPolarHBondContact O-CB 3.37Å; W450-I454 WeakPolarHBondContact O-CG1 3.32Å; W450-I454 PolarHBondContact O-N 3Å; I454-C456 VanDerWaalsContact C-N 3.29Å; I454-C456 PolarHBondContact O-N 3.05Å; I454-Q457 PolarHBondContact O-N 3.16Å; I454-C458 VanDerWaalsContact O-CB 3.26Å; I454-C458 WeakPolarHBondContact O-CB 3.43Å; I454-C458 PolarHBondContact O-N 3.01Å; I454-C458 PolarHBondContact O-SG 2.99Å |
| 455 | I | 62.5 | Low | 61.4 | Low | 69 Ų | 69 | 89.7 Ų | 89.7 | 35% | 0.354 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 176.5 | -70.4 | 167.6 | 0 | 0 | 0 | 110.2 | W446 L451 K452 C458 M459 | W446-I455 HydrophobicContact CE3-CD1 4.41Å; W446-I455 HydrophobicContact CZ3-CD1 3.98Å; L451-I455 HydrophobicContact CD2-CD1 3.62Å; L451-I455 HydrophobicContact CD2-CG1 4.25Å; L451-I455 WeakPolarHBondContact O-CB 3.42Å; L451-I455 WeakPolarHBondContact O-CD1 3.35Å; L451-I455 VanDerWaalsContact O-CG1 3.23Å; L451-I455 WeakPolarHBondContact O-CG1 3.34Å; L451-I455 PolarHBondContact O-N 3.26Å; K452-I455 PolarHBondContact O-N 2.85Å; I455-C458 PolarHBondContact O-N 3.19Å; I455-M459 HydrophobicContact CG2-CG 4.27Å; I455-M459 VanDerWaalsContact O-CB 3.32Å; I455-M459 WeakPolarHBondContact O-CB 3.37Å; I455-M459 WeakPolarHBondContact O-CG 3.38Å; I455-M459 PolarHBondContact O-N 3.09Å |
| 456 | C | 63.4 | Low | 63.3 | Low | 55 Ų | 55 | 79.9 Ų | 79.9 | 37% | 0.372 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 174.6 | -92.6 | 0 | 0 | 0 | 0 | 112.2 | K452 S453 I454 M459 K460 L545 | K452-C456 WeakPolarHBondContact O-CB 3.34Å; K452-C456 PolarHBondContact O-N 3.37Å; S453-C456 PolarHBondContact O-N 2.77Å; I454-C456 VanDerWaalsContact C-N 3.29Å; I454-C456 PolarHBondContact O-N 3.05Å; C456-M459 PolarHBondContact O-N 3.31Å; C456-K460 WeakPolarHBondContact O-CG 3.39Å; C456-K460 PolarHBondContact O-N 2.87Å; C456-L545 VanDerWaalsContact SG-CD2 3.6Å |
| 457 | Q | 65.8 | Low | 65 | Low | 120.5 Ų | 120.5 | 71.5 Ų | 71.5 | 56% | 0.563 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -66.9 | -38.8 | 177.5 | -75.2 | -161.8 | -4.3 | 0 | 0 | 112.4 | S453 I454 K460 | S453-Q457 WeakPolarHBondContact O-CB 3.35Å; S453-Q457 WeakPolarHBondContact O-CG 3.29Å; S453-Q457 PolarHBondContact O-N 2.93Å; I454-Q457 PolarHBondContact O-N 3.16Å; Q457-K460 WeakPolarHBondContact O-CB 3.38Å; Q457-K460 PolarHBondContact O-N 3.2Å; Q457-K460 VanDerWaalsContact O-N 3.15Å |
| 458 | C | 63.5 | Low | 66.8 | Low | 65 Ų | 65 | 68.2 Ų | 68.2 | 44% | 0.439 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 174 | -68.9 | 0 | 0 | 0 | 0 | 111.2 | I454 I455 K460 V461 V462 | I454-C458 VanDerWaalsContact O-CB 3.26Å; I454-C458 WeakPolarHBondContact O-CB 3.43Å; I454-C458 PolarHBondContact O-N 3.01Å; I454-C458 PolarHBondContact O-SG 2.99Å; I455-C458 PolarHBondContact O-N 3.19Å; C458-K460 PolarHBondContact O-N 3.33Å; C458-V461 PolarHBondContact O-N 2.93Å; C458-V462 VanDerWaalsContact O-CB 3.25Å; C458-V462 WeakPolarHBondContact O-CB 3.25Å; C458-V462 VanDerWaalsContact O-CG2 3.31Å; C458-V462 WeakPolarHBondContact O-CG2 3.35Å; C458-V462 PolarHBondContact O-N 3.15Å |
| 459 | M | 63.4 | Low | 68.3 | Low | 61.5 Ų | 61.5 | 64.3 Ų | 64.3 | 30% | 0.303 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -16.5 | 176 | -70 | -86 | -91 | 0 | 0 | 113.2 | I455 C456 V461 F464 L491 S493 L503 | I455-M459 HydrophobicContact CG2-CG 4.27Å; I455-M459 VanDerWaalsContact O-CB 3.32Å; I455-M459 WeakPolarHBondContact O-CB 3.37Å; I455-M459 WeakPolarHBondContact O-CG 3.38Å; I455-M459 PolarHBondContact O-N 3.09Å; C456-M459 PolarHBondContact O-N 3.31Å; M459-V461 VanDerWaalsContact C-N 3.31Å; M459-F464 HydrophobicContact SD-CE2 4.4Å; M459-L491 HydrophobicContact CE-CD2 4.23Å; M459-L491 HydrophobicContact SD-CD2 4.46Å; M459-S493 WeakPolarHBondContact O-CB 3.36Å; M459-S493 PolarHBondContact O-OG 2.79Å; M459-L503 HydrophobicContact CE-CD1 3.54Å |
| 460 | K | 64.4 | Low | 69.5 | Low | 100 Ų | 100 | 61.3 Ų | 61.3 | 44% | 0.435 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -74.7 | -23.2 | 171.7 | -62.3 | -177.3 | -177.9 | -176.7 | 0 | 113 | C456 Q457 C458 W501 | C456-K460 WeakPolarHBondContact O-CG 3.39Å; C456-K460 PolarHBondContact O-N 2.87Å; Q457-K460 WeakPolarHBondContact O-CB 3.38Å; Q457-K460 PolarHBondContact O-N 3.2Å; Q457-K460 VanDerWaalsContact O-N 3.15Å; C458-K460 PolarHBondContact O-N 3.33Å; K460-W501 HydrophobicContact CB-CH2 4.09Å; K460-W501 HydrophobicContact CB-CZ3 4.29Å; K460-W501 HydrophobicContact CD-CH2 3.57Å; K460-W501 HydrophobicContact CD-CZ2 3.67Å; K460-W501 HydrophobicContact CD-CZ3 4.37Å; K460-W501 VanDerWaalsContact CE-CZ2 3.4Å; K460-W501 HydrophobicContact CG-CE3 4.44Å; K460-W501 HydrophobicContact CG-CH2 3.45Å; K460-W501 VanDerWaalsContact CG-CH2 3.4Å; K460-W501 HydrophobicContact CG-CZ2 3.97Å; K460-W501 HydrophobicContact CG-CZ3 3.76Å |
| 461 | V | 65.8 | Low | 70.6 | Confident | 62 Ų | 62 | 54 Ų | 54 | 38% | 0.376 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | -25.1 | -170.8 | -173.7 | 0 | 0 | 0 | 0 | 111.9 | Y419 V420 C458 M459 | Y419-V461 HydrophobicContact CD2-CG1 4.41Å; Y419-V461 PolarHBondContact N-O 3.34Å; V420-V461 HydrophobicContact CG2-CG1 4.39Å; V420-V461 PolarHBondContact N-O 2.86Å; C458-V461 PolarHBondContact O-N 2.93Å; M459-V461 VanDerWaalsContact C-N 3.31Å |
| 462 | V | 67.5 | Low | 71.8 | Confident | 29.5 Ų | 29.5 | 51.4 Ų | 51.4 | 18% | 0.179 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 118.5 | -170 | -177 | 0 | 0 | 0 | 0 | 111.3 | V420 L422 C458 F464 | V420-V462 HydrophobicContact CB-CG2 4.37Å; V420-V462 CarbonylContact O-C 3.53Å; V420-V462 VanDerWaalsContact O-CA 3.23Å; V420-V462 WeakPolarHBondContact O-CA 3.41Å; L422-V462 HydrophobicContact CD1-CG1 3.6Å; L422-V462 HydrophobicContact CG-CG1 4.11Å; C458-V462 VanDerWaalsContact O-CB 3.25Å; C458-V462 WeakPolarHBondContact O-CB 3.25Å; C458-V462 VanDerWaalsContact O-CG2 3.31Å; C458-V462 WeakPolarHBondContact O-CG2 3.35Å; C458-V462 PolarHBondContact O-N 3.15Å; V462-F464 HydrophobicContact CG1-CD2 4.3Å; V462-F464 HydrophobicContact CG1-CE2 3.87Å; V462-F464 HydrophobicContact CG1-CZ 4.2Å |
| 463 | A | 72.9 | Confident | 72.8 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 150.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | V420 V421 L422 Y492 | V420-A463 PolarHBondContact O-N 3.23Å; V421-A463 CarbonylContact C-O 3.58Å; V421-A463 WeakPolarHBondContact CA-O 3.27Å; V421-A463 HydrophobicContact CG1-CB 4.44Å; V421-A463 HydrophobicContact CG2-CB 4.27Å; L422-A463 PolarHBondContact N-O 3.37Å; A463-Y492 HydrophobicContact CB-CD1 3.83Å; A463-Y492 HydrophobicContact CB-CE1 4.15Å |
| 464 | F | 77.3 | Confident | 73.2 | Confident | 74.5 Ų | 74.5 | 49.3 Ų | 49.3 | 33% | 0.327 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 129.3 | 177.7 | -76.9 | -92.3 | 0 | 0 | 0 | 110.2 | L422 M459 V462 S490 L491 | L422-F464 HydrophobicContact CB-CD1 3.86Å; L422-F464 HydrophobicContact CB-CE1 3.99Å; L422-F464 HydrophobicContact CD1-CD1 4.18Å; L422-F464 HydrophobicContact CD1-CE1 3.45Å; L422-F464 VanDerWaalsContact CD1-CE1 3.45Å; L422-F464 HydrophobicContact CD1-CE2 4.42Å; L422-F464 HydrophobicContact CD1-CZ 3.62Å; L422-F464 HydrophobicContact CG-CE1 4.36Å; M459-F464 HydrophobicContact SD-CE2 4.4Å; V462-F464 HydrophobicContact CG1-CD2 4.3Å; V462-F464 HydrophobicContact CG1-CE2 3.87Å; V462-F464 HydrophobicContact CG1-CZ 4.2Å; F464-S490 CarbonylContact O-C 3.57Å; F464-S490 WeakPolarHBondContact O-CA 3.34Å; F464-L491 HydrophobicContact CB-CB 4.13Å; F464-L491 PolarHBondContact N-O 3.06Å; F464-L491 PolarHBondContact O-N 3.11Å |
| 465 | E | 77.7 | Confident | 73.6 | Confident | 40 Ų | 40 | 49.3 Ų | 49.3 | 19% | 0.187 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 123.2 | 171.9 | -167.7 | 164.2 | -178.4 | 0 | 0 | 109 | R413 V421 L422 C423 L424 I489 | R413-E465 IonicContact CZ-OE1 2.85Å; R413-E465 VanDerWaalsContact CZ-OE1 3.24Å; R413-E465 VanDerWaalsContact NH1-CD 3.28Å; R413-E465 IonicContact NH1-OE1 2.91Å; R413-E465 PolarHBondContact NH1-OE1 2.97Å; R413-E465 IonicContact NH1-OE2 2.87Å; R413-E465 PolarHBondContact NH1-OE2 2.89Å; R413-E465 IonicContact NH2-OE1 3.44Å; R413-E465 PolarHBondContact NH2-OE1 3.22Å; V421-E465 HydrophobicContact CG1-CB 4.15Å; L422-E465 PolarHBondContact O-N 3.13Å; C423-E465 CarbonylContact C-O 3.58Å; C423-E465 VanDerWaalsContact CA-O 3.26Å; C423-E465 WeakPolarHBondContact CA-O 3.34Å; L424-E465 PolarHBondContact N-O 3.09Å; E465-I489 CarbonylContact C-O 3.52Å; E465-I489 VanDerWaalsContact CA-O 3.31Å; E465-I489 WeakPolarHBondContact CA-O 3.32Å |
| 466 | V | 80.2 | Confident | 73.7 | Confident | 17.5 Ų | 17.5 | 46.6 Ų | 46.6 | 11% | 0.106 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 114.2 | 178.7 | -167.9 | 0 | 0 | 0 | 0 | 108.3 | L424 V427 V469 D488 I489 | L424-V466 HydrophobicContact CB-CB 4.26Å; L424-V466 HydrophobicContact CB-CG1 3.86Å; L424-V466 HydrophobicContact CB-CG2 4.1Å; L424-V466 HydrophobicContact CD1-CG2 4.03Å; L424-V466 CarbonylContact O-C 3.53Å; L424-V466 WeakPolarHBondContact O-CA 3.41Å; L424-V466 VanDerWaalsContact O-CG1 3.3Å; L424-V466 WeakPolarHBondContact O-CG1 3.46Å; V427-V466 HydrophobicContact CG2-CG1 4.22Å; V466-V469 HydrophobicContact CB-CG2 4.37Å; V466-V469 HydrophobicContact CG1-CG2 3.43Å; V466-V469 VanDerWaalsContact CG1-CG2 3.47Å; V466-D488 CarbonylContact O-C 3.48Å; V466-D488 WeakPolarHBondContact O-CA 3.25Å; V466-I489 HydrophobicContact CB-CB 4.06Å; V466-I489 HydrophobicContact CB-CD1 4.41Å; V466-I489 HydrophobicContact CB-CG1 4.35Å; V466-I489 HydrophobicContact CG2-CB 4.48Å; V466-I489 PolarHBondContact N-O 2.99Å; V466-I489 PolarHBondContact O-N 3.09Å |
| 467 | G | 78.9 | Confident | 73.8 | Confident | 20.5 Ų | 20.5 | 47 Ų | 47 | 21% | 0.211 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | -48.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L424 N425 E487 D488 | L424-G467 PolarHBondContact O-N 3.36Å; N425-G467 CarbonylContact O-C 3.47Å; N425-G467 WeakPolarHBondContact O-CA 3.39Å; G467-E487 CarbonylContact O-C 3.51Å; G467-E487 WeakPolarHBondContact O-CA 3.4Å; G467-D488 PolarHBondContact O-N 2.96Å |
| 468 | S | 85.3 | Confident | 73.7 | Confident | 29.5 Ų | 29.5 | 46.8 Ų | 46.8 | 21% | 0.206 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 141.2 | 175.5 | 54.1 | 0 | 0 | 0 | 0 | 113.4 | N425 Y426 V427 F486 | N425-S468 PolarHBondContact O-N 3.4Å; N425-S468 PolarHBondContact O-OG 3.04Å; N425-S468 VanDerWaalsContact O-OG 3.06Å; Y426-S468 CarbonylContact C-O 3.53Å; Y426-S468 VanDerWaalsContact CA-O 3.3Å; Y426-S468 WeakPolarHBondContact CA-O 3.32Å; Y426-S468 VanDerWaalsContact CD2-OG 3.23Å; Y426-S468 WeakPolarHBondContact CD2-OG 3.26Å; V427-S468 PolarHBondContact N-O 2.89Å; S468-F486 CarbonylContact C-O 3.55Å; S468-F486 WeakPolarHBondContact CA-O 3.36Å |
| 469 | V | 85.1 | Confident | 74 | Confident | 19 Ų | 19 | 45 Ų | 45 | 12% | 0.115 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 122.9 | 175.7 | -173.5 | 0 | 0 | 0 | 0 | 109.3 | V427 V466 V471 T485 F486 I489 | V427-V469 HydrophobicContact CB-CG1 4.21Å; V427-V469 HydrophobicContact CB-CG2 4.19Å; V427-V469 HydrophobicContact CG1-CG1 4.3Å; V427-V469 CarbonylContact O-C 3.44Å; V427-V469 VanDerWaalsContact O-CA 3.24Å; V427-V469 WeakPolarHBondContact O-CA 3.32Å; V466-V469 HydrophobicContact CB-CG2 4.37Å; V466-V469 HydrophobicContact CG1-CG2 3.43Å; V466-V469 VanDerWaalsContact CG1-CG2 3.47Å; V469-V471 HydrophobicContact CG1-CG2 3.99Å; V469-T485 CarbonylContact O-C 3.53Å; V469-T485 WeakPolarHBondContact O-CA 3.24Å; V469-F486 HydrophobicContact CB-CB 4.07Å; V469-F486 HydrophobicContact CB-CD2 3.93Å; V469-F486 HydrophobicContact CB-CG 4.39Å; V469-F486 HydrophobicContact CG1-CD2 4.2Å; V469-F486 PolarHBondContact N-O 2.87Å; V469-F486 WeakPolarHBondContact O-CD2 3.21Å; V469-F486 PolarHBondContact O-N 3.22Å; V469-I489 HydrophobicContact CB-CD1 4.41Å; V469-I489 HydrophobicContact CG2-CD1 3.66Å |
| 470 | N | 83.7 | Confident | 74.6 | Confident | 37.5 Ų | 37.5 | 42.6 Ų | 42.6 | 20% | 0.201 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 117.1 | 174.8 | -78.7 | -19.1 | 0 | 0 | 0 | 110 | Y426 V427 R428 V429 A484 T485 | Y426-N470 WeakPolarHBondContact CE2-ND2 3.41Å; Y426-N470 PolarHBondContact OH-ND2 3.04Å; Y426-N470 VanDerWaalsContact OH-ND2 3.08Å; V427-N470 PolarHBondContact O-N 3.12Å; R428-N470 CarbonylContact C-O 3.55Å; R428-N470 VanDerWaalsContact CA-O 3.28Å; R428-N470 WeakPolarHBondContact CA-O 3.33Å; V429-N470 PolarHBondContact N-O 3.15Å; N470-A484 CarbonylContact C-O 3.46Å; N470-A484 WeakPolarHBondContact CA-O 3.45Å; N470-T485 VanDerWaalsContact OD1-CB 3.25Å; N470-T485 WeakPolarHBondContact OD1-CB 3.43Å; N470-T485 WeakPolarHBondContact OD1-CG2 3.36Å |
| 471 | V | 84.9 | Confident | 75.4 | Confident | 28 Ų | 28 | 40.9 Ų | 40.9 | 17% | 0.17 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 116.5 | 178.7 | -176.1 | 0 | 0 | 0 | 0 | 108.8 | V429 V469 L473 H483 A484 F486 | V429-V471 HydrophobicContact CB-CB 4.45Å; V429-V471 HydrophobicContact CB-CG1 4.25Å; V429-V471 HydrophobicContact CB-CG2 4.14Å; V429-V471 HydrophobicContact CG1-CG1 4.46Å; V429-V471 HydrophobicContact CG2-CG2 4.3Å; V429-V471 CarbonylContact O-C 3.55Å; V429-V471 VanDerWaalsContact O-CA 3.32Å; V429-V471 WeakPolarHBondContact O-CA 3.14Å; V469-V471 HydrophobicContact CG1-CG2 3.99Å; V471-L473 HydrophobicContact CG1-CD1 4.39Å; V471-L473 HydrophobicContact CG1-CD2 4.3Å; V471-L473 HydrophobicContact CG1-CG 3.98Å; V471-H483 CarbonylContact O-C 3.56Å; V471-H483 WeakPolarHBondContact O-CA 3.44Å; V471-A484 HydrophobicContact CB-CB 4.29Å; V471-A484 PolarHBondContact N-O 2.84Å; V471-A484 PolarHBondContact O-N 2.71Å; V471-F486 HydrophobicContact CG2-CE2 4.02Å |
| 472 | A | 81.6 | Confident | 76.2 | Confident | 20.5 Ų | 20.5 | 39.5 Ų | 39.5 | 17% | 0.169 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 110.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | V429 E430 S431 L482 | V429-A472 PolarHBondContact O-N 2.97Å; E430-A472 VanDerWaalsContact CA-O 3.3Å; E430-A472 WeakPolarHBondContact CA-O 3.29Å; S431-A472 PolarHBondContact N-O 3.08Å; S431-A472 VanDerWaalsContact N-O 3.1Å; A472-L482 CarbonylContact C-O 3.57Å; A472-L482 WeakPolarHBondContact CA-O 3.29Å |
| 473 | L | 79.1 | Confident | 77.2 | Confident | 34 Ų | 34 | 41.2 Ų | 41.2 | 18% | 0.178 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 118.7 | 177.3 | -60.3 | 177.1 | 0 | 0 | 0 | 110.3 | S431 V471 T476 L482 | S431-L473 CarbonylContact O-C 3.56Å; S431-L473 VanDerWaalsContact O-CA 3.31Å; S431-L473 WeakPolarHBondContact O-CA 3.36Å; V471-L473 HydrophobicContact CG1-CD1 4.39Å; V471-L473 HydrophobicContact CG1-CD2 4.3Å; V471-L473 HydrophobicContact CG1-CG 3.98Å; L473-T476 HydrophobicContact CB-CG2 3.43Å; L473-T476 VanDerWaalsContact CB-CG2 3.47Å; L473-T476 HydrophobicContact CD1-CG2 3.95Å; L473-T476 HydrophobicContact CG-CG2 4.34Å; L473-L482 HydrophobicContact CB-CB 4.35Å; L473-L482 HydrophobicContact CB-CD2 4.36Å; L473-L482 HydrophobicContact CD1-CD2 4.18Å; L473-L482 HydrophobicContact CG-CD2 4.34Å; L473-L482 PolarHBondContact N-O 2.85Å; L473-L482 PolarHBondContact O-N 2.95Å |
| 474 | L | 72.2 | Confident | 77.8 | Confident | 90.5 Ų | 90.5 | 41.5 Ų | 41.5 | 47% | 0.474 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 140.5 | 174 | -71.7 | 159.9 | 0 | 0 | 0 | 110.1 | S431 L433 T476 L481 | S431-L474 PolarHBondContact O-N 2.74Å; L433-L474 PolarHBondContact N-O 3.21Å; L474-T476 VanDerWaalsContact C-N 3.3Å; L474-T476 PolarHBondContact O-N 2.9Å; L474-L481 HydrophobicContact CD2-CD1 3.66Å; L474-L481 HydrophobicContact CG-CD1 4.17Å |
| 475 | D | 69.8 | Low | 78.2 | Confident | 60.5 Ų | 60.5 | 38.9 Ų | 38.9 | 32% | 0.324 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 55.6 | 35.6 | 175.4 | -65 | -43.1 | 0 | 0 | 0 | 115.4 | L433 F477 G479 F480 | L433-D475 WeakPolarHBondContact CB-O 3.33Å; D475-F477 CarbonylContact C-O 3.52Å; D475-F477 WeakPolarHBondContact CA-O 3.3Å; D475-F477 PolarHBondContact O-N 3.08Å; D475-G479 PolarHBondContact OD1-N 2.95Å; D475-F480 PolarHBondContact N-O 2.99Å |
| 476 | T | 64.7 | Low | 78.6 | Confident | 13 Ų | 13 | 39.4 Ų | 39.4 | 8% | 0.08 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | -36.3 | 170.4 | 48.1 | 0 | 0 | 0 | 0 | 112 | L433 L473 L474 L482 | L433-T476 HydrophobicContact CD1-CG2 3.89Å; L473-T476 HydrophobicContact CB-CG2 3.43Å; L473-T476 VanDerWaalsContact CB-CG2 3.47Å; L473-T476 HydrophobicContact CD1-CG2 3.95Å; L473-T476 HydrophobicContact CG-CG2 4.34Å; L474-T476 VanDerWaalsContact C-N 3.3Å; L474-T476 PolarHBondContact O-N 2.9Å; T476-L482 HydrophobicContact CG2-CB 3.94Å; T476-L482 HydrophobicContact CG2-CD1 4.31Å |
| 477 | F | 65.9 | Low | 78.8 | Confident | 64 Ų | 64 | 42.8 Ų | 42.8 | 28% | 0.281 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 145.5 | 160 | -50.2 | -76.6 | 0 | 0 | 0 | 107 | D475 G479 F480 Q572 | D475-F477 CarbonylContact C-O 3.52Å; D475-F477 WeakPolarHBondContact CA-O 3.3Å; D475-F477 PolarHBondContact O-N 3.08Å; F477-G479 PolarHBondContact O-N 2.94Å; F477-F480 HydrophobicContact CB-CB 4.24Å; F477-F480 HydrophobicContact CB-CD2 3.92Å; F477-F480 HydrophobicContact CB-CG 4.39Å; F477-F480 HydrophobicContact CD2-CB 4.45Å; F477-F480 PolarHBondContact O-N 3.09Å; F477-Q572 VanDerWaalsContact CD1-NE2 3.31Å; F477-Q572 VanDerWaalsContact CE1-OE1 3.24Å |
| 478 | P | 64.8 | Low | 79 | Confident | 115 Ų | 115 | 44.2 Ų | 44.2 | 75% | 0.747 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 118 | 179.2 | 20.6 | -31.1 | 0 | 0 | 0 | 109.9 | ||
| 479 | G | 69.7 | Low | 78.9 | Confident | 27.5 Ų | 27.5 | 44.1 Ų | 44.1 | 28% | 0.284 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.5 | 4.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | D475 F477 R517 | D475-G479 PolarHBondContact OD1-N 2.95Å; F477-G479 PolarHBondContact O-N 2.94Å; G479-R517 WeakPolarHBondContact O-CB 3.29Å; G479-R517 PolarHBondContact O-N 3.15Å |
| 480 | F | 74.8 | Confident | 78.8 | Confident | 12.5 Ų | 12.5 | 43.7 Ų | 43.7 | 6% | 0.055 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 134.3 | -179.2 | -69.1 | -94.3 | 0 | 0 | 0 | 113.3 | D475 F477 V514 L515 E516 N526 F565 V568 | D475-F480 PolarHBondContact N-O 2.99Å; F477-F480 HydrophobicContact CB-CB 4.24Å; F477-F480 HydrophobicContact CB-CD2 3.92Å; F477-F480 HydrophobicContact CB-CG 4.39Å; F477-F480 HydrophobicContact CD2-CB 4.45Å; F477-F480 PolarHBondContact O-N 3.09Å; F480-V514 HydrophobicContact CB-CG1 4.23Å; F480-V514 HydrophobicContact CD1-CG1 4.08Å; F480-V514 HydrophobicContact CG-CG1 4.47Å; F480-L515 CarbonylContact C-O 3.5Å; F480-L515 WeakPolarHBondContact CA-O 3.35Å; F480-E516 HydrophobicContact CD1-CB 3.95Å; F480-E516 HydrophobicContact CD1-CG 4.39Å; F480-E516 HydrophobicContact CE1-CB 3.53Å; F480-E516 HydrophobicContact CE1-CG 3.86Å; F480-E516 HydrophobicContact CE2-CG 4.33Å; F480-E516 HydrophobicContact CZ-CB 4.02Å; F480-E516 HydrophobicContact CZ-CG 3.8Å; F480-N526 HydrophobicContact CE1-CB 4.48Å; F480-F565 HydrophobicContact CD1-CD2 4.44Å; F480-F565 HydrophobicContact CD1-CE2 4.44Å; F480-F565 AromaticContact CE1-CD2 3.93Å; F480-F565 HydrophobicContact CE1-CD2 4.07Å; F480-F565 HydrophobicContact CE1-CE2 4.3Å; F480-V568 HydrophobicContact CE2-CG1 4.01Å; F480-V568 HydrophobicContact CZ-CB 4.46Å; F480-V568 HydrophobicContact CZ-CG1 3.99Å; F480-V568 HydrophobicContact CZ-CG2 4.17Å |
| 481 | L | 82.8 | Confident | 78.7 | Confident | 63.5 Ų | 63.5 | 44.4 Ų | 44.4 | 33% | 0.332 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 126.9 | 170.4 | 175.5 | 70.4 | 0 | 0 | 0 | 109.5 | L474 V514 L515 | L474-L481 HydrophobicContact CD2-CD1 3.66Å; L474-L481 HydrophobicContact CG-CD1 4.17Å; L481-V514 CarbonylContact O-C 3.47Å; L481-V514 VanDerWaalsContact O-CA 3.3Å; L481-V514 WeakPolarHBondContact O-CA 3.35Å; L481-L515 PolarHBondContact N-O 3.25Å; L481-L515 PolarHBondContact O-N 3.02Å |
| 482 | L | 82.4 | Confident | 78.4 | Confident | 33 Ų | 33 | 44.4 Ų | 44.4 | 17% | 0.173 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 121.4 | 171.5 | -176.6 | 147.5 | 0 | 0 | 0 | 109.5 | A472 L473 T476 A484 L512 V514 | A472-L482 CarbonylContact C-O 3.57Å; A472-L482 WeakPolarHBondContact CA-O 3.29Å; L473-L482 HydrophobicContact CB-CB 4.35Å; L473-L482 HydrophobicContact CB-CD2 4.36Å; L473-L482 HydrophobicContact CD1-CD2 4.18Å; L473-L482 HydrophobicContact CG-CD2 4.34Å; L473-L482 PolarHBondContact N-O 2.85Å; L473-L482 PolarHBondContact O-N 2.95Å; T476-L482 HydrophobicContact CG2-CB 3.94Å; T476-L482 HydrophobicContact CG2-CD1 4.31Å; L482-A484 HydrophobicContact CD2-CB 4.46Å; L482-L512 HydrophobicContact CD1-CD1 4.13Å; L482-L512 HydrophobicContact CD2-CD1 3.88Å; L482-L512 HydrophobicContact CG-CD1 3.83Å; L482-V514 HydrophobicContact CD1-CG2 4.22Å; L482-V514 HydrophobicContact CG-CG2 4.34Å |
| 483 | H | 86.6 | Confident | 78.2 | Confident | 65.5 Ų | 65.5 | 44.2 Ų | 44.2 | 30% | 0.303 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 110.1 | 179 | -177.3 | -91.7 | 0 | 0 | 0 | 109.7 | V471 T485 K513 | V471-H483 CarbonylContact O-C 3.56Å; V471-H483 WeakPolarHBondContact O-CA 3.44Å; H483-T485 WeakPolarHBondContact CE1-CG2 3.41Å; H483-K513 HydrophobicContact CB-CB 4.46Å; H483-K513 PolarHBondContact N-O 2.79Å; H483-K513 PolarHBondContact O-N 3.26Å |
| 484 | A | 86.6 | Confident | 78 | Confident | 6 Ų | 6 | 43.8 Ų | 43.8 | 5% | 0.05 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 125.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | N470 V471 L482 F486 F510 N511 L512 | N470-A484 CarbonylContact C-O 3.46Å; N470-A484 WeakPolarHBondContact CA-O 3.45Å; V471-A484 HydrophobicContact CB-CB 4.29Å; V471-A484 PolarHBondContact N-O 2.84Å; V471-A484 PolarHBondContact O-N 2.71Å; L482-A484 HydrophobicContact CD2-CB 4.46Å; A484-F486 HydrophobicContact CB-CE2 3.9Å; A484-F486 HydrophobicContact CB-CZ 4.26Å; A484-F510 HydrophobicContact CB-CE2 4.42Å; A484-N511 CarbonylContact C-O 3.55Å; A484-N511 WeakPolarHBondContact CA-O 3.4Å; A484-L512 HydrophobicContact CB-CD1 3.78Å |
| 485 | T | 85.7 | Confident | 78 | Confident | 18.5 Ų | 18.5 | 43.7 Ų | 43.7 | 11% | 0.113 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 132.8 | 172.9 | 70.8 | 0 | 0 | 0 | 0 | 109.6 | V469 N470 H483 N511 | V469-T485 CarbonylContact O-C 3.53Å; V469-T485 WeakPolarHBondContact O-CA 3.24Å; N470-T485 VanDerWaalsContact OD1-CB 3.25Å; N470-T485 WeakPolarHBondContact OD1-CB 3.43Å; N470-T485 WeakPolarHBondContact OD1-CG2 3.36Å; H483-T485 WeakPolarHBondContact CE1-CG2 3.41Å; T485-N511 PolarHBondContact N-O 3.09Å; T485-N511 PolarHBondContact O-N 3.26Å; T485-N511 WeakPolarHBondContact OG1-CB 3.35Å |
| 486 | F | 86.5 | Confident | 78 | Confident | 51 Ų | 51 | 45.5 Ų | 45.5 | 22% | 0.224 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 131.1 | 175.4 | -54.1 | -96.4 | 0 | 0 | 0 | 107.8 | S468 V469 V471 A484 I489 L507 L509 F510 | S468-F486 CarbonylContact C-O 3.55Å; S468-F486 WeakPolarHBondContact CA-O 3.36Å; V469-F486 HydrophobicContact CB-CB 4.07Å; V469-F486 HydrophobicContact CB-CD2 3.93Å; V469-F486 HydrophobicContact CB-CG 4.39Å; V469-F486 HydrophobicContact CG1-CD2 4.2Å; V469-F486 PolarHBondContact N-O 2.87Å; V469-F486 WeakPolarHBondContact O-CD2 3.21Å; V469-F486 PolarHBondContact O-N 3.22Å; V471-F486 HydrophobicContact CG2-CE2 4.02Å; A484-F486 HydrophobicContact CB-CE2 3.9Å; A484-F486 HydrophobicContact CB-CZ 4.26Å; F486-I489 HydrophobicContact CB-CD1 3.73Å; F486-I489 HydrophobicContact CB-CG1 4.04Å; F486-I489 HydrophobicContact CG-CD1 4.23Å; F486-L507 HydrophobicContact CB-CD1 3.99Å; F486-L507 HydrophobicContact CD1-CD1 3.78Å; F486-L507 HydrophobicContact CD1-CD2 3.97Å; F486-L507 HydrophobicContact CD1-CG 4.49Å; F486-L507 HydrophobicContact CE1-CD2 4.34Å; F486-L507 HydrophobicContact CG-CD1 4.37Å; F486-L509 CarbonylContact C-O 3.57Å; F486-L509 WeakPolarHBondContact CA-O 3.39Å; F486-F510 AromaticContact CD1-CD2 3.59Å; F486-F510 HydrophobicContact CD1-CD2 3.59Å; F486-F510 HydrophobicContact CD1-CE2 4.12Å; F486-F510 AromaticContact CE1-CD2 3.33Å; F486-F510 HydrophobicContact CE1-CD2 3.33Å; F486-F510 AromaticContact CE1-CE2 3.4Å; F486-F510 HydrophobicContact CE1-CE2 3.4Å; F486-F510 VanDerWaalsContact CE1-CE2 3.44Å; F486-F510 HydrophobicContact CE2-CE2 4.41Å; F486-F510 HydrophobicContact CG-CD2 4.43Å; F486-F510 AromaticContact CZ-CD2 3.93Å; F486-F510 HydrophobicContact CZ-CD2 3.98Å; F486-F510 AromaticContact CZ-CE2 3.63Å; F486-F510 HydrophobicContact CZ-CE2 3.63Å |
| 487 | E | 84.1 | Confident | 78.3 | Confident | 89 Ų | 89 | 48.1 Ų | 48.1 | 42% | 0.416 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 139.7 | 173.3 | -56.6 | -178.1 | 163.3 | 0 | 0 | 110.5 | G467 K508 L509 | G467-E487 CarbonylContact O-C 3.51Å; G467-E487 WeakPolarHBondContact O-CA 3.4Å; E487-K508 PolarHBondContact O-N 2.97Å; E487-L509 HydrophobicContact CB-CB 3.94Å; E487-L509 HydrophobicContact CG-CB 4.21Å; E487-L509 HydrophobicContact CG-CD2 4.2Å; E487-L509 PolarHBondContact N-O 2.85Å; E487-L509 PolarHBondContact O-N 2.81Å; E487-L509 WeakPolarHBondContact OE2-CD2 3.27Å |
| 488 | D | 82.3 | Confident | 78.4 | Confident | 49.5 Ų | 49.5 | 55.5 Ų | 55.5 | 27% | 0.265 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 46.6 | 68.6 | -178.6 | -61.7 | -25.8 | 0 | 0 | 0 | 112.3 | V466 G467 K508 | V466-D488 CarbonylContact O-C 3.48Å; V466-D488 WeakPolarHBondContact O-CA 3.25Å; G467-D488 PolarHBondContact O-N 2.96Å; D488-K508 HydrophobicContact CB-CB 3.8Å; D488-K508 HydrophobicContact CB-CD 3.98Å; D488-K508 PolarHBondContact O-N 3.03Å; D488-K508 WeakPolarHBondContact OD2-CD 3.33Å; D488-K508 IonicContact OD2-NZ 2.82Å; D488-K508 PolarHBondContact OD2-NZ 3.16Å |
| 489 | I | 83.8 | Confident | 78.7 | Confident | 29 Ų | 29 | 51.7 Ų | 51.7 | 15% | 0.149 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 121.1 | 169.2 | -51.2 | 175.1 | 0 | 0 | 0 | 108.1 | E465 V466 V469 F486 Y506 L507 | E465-I489 CarbonylContact C-O 3.52Å; E465-I489 VanDerWaalsContact CA-O 3.31Å; E465-I489 WeakPolarHBondContact CA-O 3.32Å; V466-I489 HydrophobicContact CB-CB 4.06Å; V466-I489 HydrophobicContact CB-CD1 4.41Å; V466-I489 HydrophobicContact CB-CG1 4.35Å; V466-I489 HydrophobicContact CG2-CB 4.48Å; V466-I489 PolarHBondContact N-O 2.99Å; V466-I489 PolarHBondContact O-N 3.09Å; V469-I489 HydrophobicContact CB-CD1 4.41Å; V469-I489 HydrophobicContact CG2-CD1 3.66Å; F486-I489 HydrophobicContact CB-CD1 3.73Å; F486-I489 HydrophobicContact CB-CG1 4.04Å; F486-I489 HydrophobicContact CG-CD1 4.23Å; I489-Y506 CarbonylContact C-O 3.2Å; I489-Y506 WeakPolarHBondContact CA-O 3.34Å; I489-L507 HydrophobicContact CB-CD1 4.29Å; I489-L507 HydrophobicContact CD1-CD1 3.93Å; I489-L507 HydrophobicContact CG1-CD1 3.58Å; I489-L507 HydrophobicContact CG1-CG 4.36Å; I489-L507 HydrophobicContact CG2-CD1 4.17Å |
| 490 | S | 83.1 | Confident | 78.9 | Confident | 9.5 Ų | 9.5 | 52 Ų | 52 | 7% | 0.066 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 121.8 | 175 | 61.2 | 0 | 0 | 0 | 0 | 110.4 | F464 Y492 C505 Y506 | F464-S490 CarbonylContact O-C 3.57Å; F464-S490 WeakPolarHBondContact O-CA 3.34Å; S490-Y492 VanDerWaalsContact CB-CE2 3.41Å; S490-Y492 WeakPolarHBondContact CB-OH 3.42Å; S490-Y492 VanDerWaalsContact OG-CE2 3.29Å; S490-Y492 WeakPolarHBondContact OG-CE2 3.41Å; S490-C505 CarbonylContact O-C 3.57Å; S490-C505 WeakPolarHBondContact O-CA 3.38Å; S490-Y506 PolarHBondContact N-O 3.27Å; S490-Y506 PolarHBondContact O-N 3.13Å; S490-Y506 WeakPolarHBondContact OG-CB 3.4Å; S490-Y506 WeakPolarHBondContact OG-CD1 3.21Å; S490-Y506 PolarHBondContact OG-O 2.8Å |
| 491 | L | 81.7 | Confident | 78.9 | Confident | 51.5 Ų | 51.5 | 54 Ų | 54 | 27% | 0.27 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 117.4 | -175.5 | -129.9 | 148.9 | 0 | 0 | 0 | 109 | M459 F464 L503 C505 | M459-L491 HydrophobicContact CE-CD2 4.23Å; M459-L491 HydrophobicContact SD-CD2 4.46Å; F464-L491 HydrophobicContact CB-CB 4.13Å; F464-L491 PolarHBondContact N-O 3.06Å; F464-L491 PolarHBondContact O-N 3.11Å; L491-L503 HydrophobicContact CD2-CD1 3.98Å; L491-L503 HydrophobicContact CD2-CD2 3.99Å; L491-L503 HydrophobicContact CD2-CG 4.17Å; L491-C505 HydrophobicContact CD1-CB 4.23Å; L491-C505 HydrophobicContact CD2-CB 3.79Å; L491-C505 HydrophobicContact CG-CB 4.12Å |
| 492 | Y | 77.9 | Confident | 78.8 | Confident | 28.5 Ų | 28.5 | 53.2 Ų | 53.2 | 11% | 0.112 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 150 | -176.5 | -53.9 | -74.5 | 0 | 0 | 0 | 111 | L416 A463 S490 L503 S504 Y506 | L416-Y492 HydrophobicContact CD1-CD1 3.97Å; L416-Y492 VanDerWaalsContact CD1-CD1 3.5Å; L416-Y492 HydrophobicContact CD1-CD2 4.12Å; L416-Y492 HydrophobicContact CD1-CE1 4.17Å; L416-Y492 HydrophobicContact CD1-CG 3.8Å; L416-Y492 VanDerWaalsContact CD1-CG 3.47Å; A463-Y492 HydrophobicContact CB-CD1 3.83Å; A463-Y492 HydrophobicContact CB-CE1 4.15Å; S490-Y492 VanDerWaalsContact CB-CE2 3.41Å; S490-Y492 WeakPolarHBondContact CB-OH 3.42Å; S490-Y492 VanDerWaalsContact OG-CE2 3.29Å; S490-Y492 WeakPolarHBondContact OG-CE2 3.41Å; Y492-L503 CarbonylContact O-C 3.5Å; Y492-L503 WeakPolarHBondContact O-CA 3.37Å; Y492-S504 PolarHBondContact N-O 3.29Å; Y492-S504 PolarHBondContact O-N 2.86Å; Y492-Y506 AromaticContact CD2-CD2 3.64Å; Y492-Y506 HydrophobicContact CD2-CD2 3.64Å; Y492-Y506 AromaticContact CD2-CE2 3.71Å; Y492-Y506 HydrophobicContact CD2-CE2 3.71Å; Y492-Y506 AromaticContact CE2-CD2 3.75Å; Y492-Y506 HydrophobicContact CE2-CD2 3.75Å; Y492-Y506 HydrophobicContact CE2-CE2 4.12Å |
| 493 | S | 78.5 | Confident | 78.7 | Confident | 17.5 Ų | 17.5 | 52.9 Ų | 52.9 | 12% | 0.122 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 133.2 | 174.5 | -175.5 | 0 | 0 | 0 | 0 | 109.1 | M459 | M459-S493 WeakPolarHBondContact O-CB 3.36Å; M459-S493 PolarHBondContact O-OG 2.79Å |
| 494 | A | 73.6 | Confident | 78.5 | Confident | 25.5 Ų | 25.5 | 50.6 Ų | 50.6 | 21% | 0.211 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 135.4 | 178 | 0 | 0 | 0 | 0 | 0 | 110.5 | L416 Q502 | L416-A494 HydrophobicContact CD2-CB 3.84Å; A494-Q502 PolarHBondContact N-O 3.14Å; A494-Q502 PolarHBondContact O-N 2.94Å |
| 495 | P | 72.5 | Confident | 78.4 | Confident | 88 Ų | 88 | 51.4 Ų | 51.4 | 57% | 0.571 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 126.5 | 170.2 | 29.4 | -30.9 | 0 | 0 | 0 | 110.1 | W501 | P495-W501 HydrophobicContact CB-CD2 4.41Å; P495-W501 HydrophobicContact CB-CE3 4.31Å; P495-W501 HydrophobicContact CB-CH2 3.97Å; P495-W501 HydrophobicContact CB-CZ2 4.13Å; P495-W501 HydrophobicContact CB-CZ3 4.07Å; P495-W501 HydrophobicContact CG-CH2 4.25Å; P495-W501 HydrophobicContact CG-CZ3 4.3Å |
| 496 | L | 69.6 | Low | 78.3 | Confident | 98 Ų | 98 | 53.7 Ų | 53.7 | 51% | 0.513 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | -40.4 | 177.3 | -161.1 | 82.4 | 0 | 0 | 0 | 111.3 | L500 | L496-L500 HydrophobicContact CB-CB 4.47Å; L496-L500 PolarHBondContact N-O 3.03Å |
| 497 | T | 70.7 | Confident | 78.1 | Confident | 67 Ų | 67 | 52.1 Ų | 52.1 | 41% | 0.411 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 174.5 | 172 | 58.6 | 0 | 0 | 0 | 0 | 108.9 | N499 L500 | T497-N499 PolarHBondContact O-N 3.09Å; T497-L500 PolarHBondContact N-O 3.08Å; T497-L500 PolarHBondContact O-N 2.81Å; T497-L500 WeakPolarHBondContact OG1-CD1 3.33Å; T497-L500 PolarHBondContact OG1-N 2.77Å |
| 498 | W | 68.5 | Low | 78 | Confident | 221 Ų | 221 | 53.1 Ų | 53.1 | 84% | 0.837 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -27.4 | 177.5 | 59.2 | -77.6 | 0 | 0 | 0 | 113.8 | ||
| 499 | N | 72 | Confident | 78.1 | Confident | 34 Ų | 34 | 53 Ų | 53 | 18% | 0.182 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114 | 2.3 | -178.2 | -79.1 | 1.5 | 0 | 0 | 0 | 116.4 | T497 T542 D543 | T497-N499 PolarHBondContact O-N 3.09Å; N499-T542 WeakPolarHBondContact CA-OG1 3.28Å; N499-T542 PolarHBondContact O-N 2.83Å; N499-T542 PolarHBondContact O-OG1 2.87Å; N499-T542 PolarHBondContact OD1-OG1 2.86Å; N499-D543 PolarHBondContact ND2-OD2 2.83Å |
| 500 | L | 72.9 | Confident | 78.1 | Confident | 35 Ų | 35 | 53.4 Ų | 53.4 | 18% | 0.183 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 128.8 | 179.2 | -76.7 | 110.2 | 0 | 0 | 0 | 112.2 | L496 T497 L540 K548 | L496-L500 HydrophobicContact CB-CB 4.47Å; L496-L500 PolarHBondContact N-O 3.03Å; T497-L500 PolarHBondContact N-O 3.08Å; T497-L500 PolarHBondContact O-N 2.81Å; T497-L500 WeakPolarHBondContact OG1-CD1 3.33Å; T497-L500 PolarHBondContact OG1-N 2.77Å; L500-L540 WeakPolarHBondContact CA-O 3.31Å; L500-K548 HydrophobicContact CD2-CD 3.76Å; L500-K548 HydrophobicContact CG-CD 4.46Å |
| 501 | W | 74.1 | Confident | 78.2 | Confident | 54.5 Ų | 54.5 | 54.2 Ų | 54.2 | 21% | 0.206 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 138.2 | 172.3 | -73.9 | 77.4 | 0 | 0 | 0 | 110.6 | K460 P495 Q539 L540 T542 | K460-W501 HydrophobicContact CB-CH2 4.09Å; K460-W501 HydrophobicContact CB-CZ3 4.29Å; K460-W501 HydrophobicContact CD-CH2 3.57Å; K460-W501 HydrophobicContact CD-CZ2 3.67Å; K460-W501 HydrophobicContact CD-CZ3 4.37Å; K460-W501 VanDerWaalsContact CE-CZ2 3.4Å; K460-W501 HydrophobicContact CG-CE3 4.44Å; K460-W501 HydrophobicContact CG-CH2 3.45Å; K460-W501 VanDerWaalsContact CG-CH2 3.4Å; K460-W501 HydrophobicContact CG-CZ2 3.97Å; K460-W501 HydrophobicContact CG-CZ3 3.76Å; P495-W501 HydrophobicContact CB-CD2 4.41Å; P495-W501 HydrophobicContact CB-CE3 4.31Å; P495-W501 HydrophobicContact CB-CH2 3.97Å; P495-W501 HydrophobicContact CB-CZ2 4.13Å; P495-W501 HydrophobicContact CB-CZ3 4.07Å; P495-W501 HydrophobicContact CG-CH2 4.25Å; P495-W501 HydrophobicContact CG-CZ3 4.3Å; W501-Q539 CarbonylContact O-C 3.52Å; W501-Q539 WeakPolarHBondContact O-CA 3.39Å; W501-L540 PolarHBondContact N-O 3.29Å; W501-L540 PolarHBondContact O-N 2.9Å; W501-T542 VanDerWaalsContact NE1-CG2 3.29Å |
| 502 | Q | 81.6 | Confident | 78.4 | Confident | 45 Ų | 45 | 53.2 Ų | 53.2 | 21% | 0.21 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 120.1 | 172.1 | -177.3 | 174.7 | -32.7 | 0 | 0 | 109.6 | A494 S504 L538 Q539 | A494-Q502 PolarHBondContact N-O 3.14Å; A494-Q502 PolarHBondContact O-N 2.94Å; Q502-S504 PolarHBondContact NE2-OG 3.12Å; Q502-L538 CarbonylContact C-O 3.56Å; Q502-L538 WeakPolarHBondContact CA-O 3.3Å; Q502-Q539 HydrophobicContact CG-CG 4.47Å |
| 503 | L | 79.9 | Confident | 78.7 | Confident | 26.5 Ų | 26.5 | 55.8 Ų | 55.8 | 14% | 0.139 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 120.1 | 169 | -166.1 | 97.4 | 0 | 0 | 0 | 108.1 | M459 L491 Y492 T537 L538 | M459-L503 HydrophobicContact CE-CD1 3.54Å; L491-L503 HydrophobicContact CD2-CD1 3.98Å; L491-L503 HydrophobicContact CD2-CD2 3.99Å; L491-L503 HydrophobicContact CD2-CG 4.17Å; Y492-L503 CarbonylContact O-C 3.5Å; Y492-L503 WeakPolarHBondContact O-CA 3.37Å; L503-T537 CarbonylContact O-C 3.48Å; L503-T537 WeakPolarHBondContact O-CA 3.37Å; L503-L538 HydrophobicContact CB-CB 4.24Å; L503-L538 HydrophobicContact CD2-CD1 4.04Å; L503-L538 PolarHBondContact N-O 3Å; L503-L538 PolarHBondContact O-N 3.13Å |
| 504 | S | 83.2 | Confident | 78.8 | Confident | 18 Ų | 18 | 55.2 Ų | 55.2 | 13% | 0.126 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 118.1 | 178.9 | -52.7 | 0 | 0 | 0 | 0 | 109.5 | Y492 Q502 L536 | Y492-S504 PolarHBondContact N-O 3.29Å; Y492-S504 PolarHBondContact O-N 2.86Å; Q502-S504 PolarHBondContact NE2-OG 3.12Å; S504-L536 CarbonylContact C-O 3.28Å; S504-L536 WeakPolarHBondContact CA-O 3.43Å |
| 505 | C | 84.4 | Confident | 79.1 | Confident | 22.5 Ų | 22.5 | 57.1 Ų | 57.1 | 15% | 0.152 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 118 | 173.6 | 178.2 | 0 | 0 | 0 | 0 | 108.6 | S490 L491 T535 L536 | S490-C505 CarbonylContact O-C 3.57Å; S490-C505 WeakPolarHBondContact O-CA 3.38Å; L491-C505 HydrophobicContact CD1-CB 4.23Å; L491-C505 HydrophobicContact CD2-CB 3.79Å; L491-C505 HydrophobicContact CG-CB 4.12Å; C505-T535 CarbonylContact O-C 3.55Å; C505-T535 WeakPolarHBondContact O-CA 3.43Å; C505-L536 HydrophobicContact CB-CB 4.23Å; C505-L536 HydrophobicContact CB-CD2 4.06Å; C505-L536 PolarHBondContact N-O 3.15Å; C505-L536 PolarHBondContact O-N 2.99Å |
| 506 | Y | 82.5 | Confident | 79.3 | Confident | 68 Ų | 68 | 55.9 Ų | 55.9 | 27% | 0.267 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 135.8 | 175.4 | -120.6 | -91.1 | 0 | 0 | 0 | 109.3 | P414 I489 S490 Y492 K508 R533 T535 | P414-Y506 HydrophobicContact CG-CE2 4.32Å; I489-Y506 CarbonylContact C-O 3.2Å; I489-Y506 WeakPolarHBondContact CA-O 3.34Å; S490-Y506 PolarHBondContact N-O 3.27Å; S490-Y506 PolarHBondContact O-N 3.13Å; S490-Y506 WeakPolarHBondContact OG-CB 3.4Å; S490-Y506 WeakPolarHBondContact OG-CD1 3.21Å; S490-Y506 PolarHBondContact OG-O 2.8Å; Y492-Y506 AromaticContact CD2-CD2 3.64Å; Y492-Y506 HydrophobicContact CD2-CD2 3.64Å; Y492-Y506 AromaticContact CD2-CE2 3.71Å; Y492-Y506 HydrophobicContact CD2-CE2 3.71Å; Y492-Y506 AromaticContact CE2-CD2 3.75Å; Y492-Y506 HydrophobicContact CE2-CD2 3.75Å; Y492-Y506 HydrophobicContact CE2-CE2 4.12Å; Y506-K508 HydrophobicContact CE1-CB 4.07Å; Y506-R533 PolarHBondContact OH-NE 2.73Å; Y506-R533 PolarHBondContact OH-NH2 2.81Å; Y506-T535 HydrophobicContact CD1-CG2 3.45Å; Y506-T535 VanDerWaalsContact CD1-CG2 3.45Å; Y506-T535 HydrophobicContact CE1-CG2 3.41Å; Y506-T535 VanDerWaalsContact CE1-CG2 3.41Å; Y506-T535 HydrophobicContact CG-CG2 4.42Å |
| 507 | L | 82.8 | Confident | 79.3 | Confident | 16 Ų | 16 | 60.2 Ų | 60.2 | 8% | 0.084 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 109.9 | -178 | -175.8 | 98.4 | 0 | 0 | 0 | 108.5 | F486 I489 L509 F510 L534 | F486-L507 HydrophobicContact CB-CD1 3.99Å; F486-L507 HydrophobicContact CD1-CD1 3.78Å; F486-L507 HydrophobicContact CD1-CD2 3.97Å; F486-L507 HydrophobicContact CD1-CG 4.49Å; F486-L507 HydrophobicContact CE1-CD2 4.34Å; F486-L507 HydrophobicContact CG-CD1 4.37Å; I489-L507 HydrophobicContact CB-CD1 4.29Å; I489-L507 HydrophobicContact CD1-CD1 3.93Å; I489-L507 HydrophobicContact CG1-CD1 3.58Å; I489-L507 HydrophobicContact CG1-CG 4.36Å; I489-L507 HydrophobicContact CG2-CD1 4.17Å; L507-L509 WeakPolarHBondContact CD2-O 3.37Å; L507-F510 HydrophobicContact CD2-CB 3.55Å; L507-F510 VanDerWaalsContact CD2-CB 3.44Å; L507-F510 HydrophobicContact CD2-CD2 4.34Å; L507-F510 HydrophobicContact CD2-CG 4.36Å; L507-F510 HydrophobicContact CG-CB 4.4Å; L507-L534 WeakPolarHBondContact CA-O 3.48Å; L507-L534 HydrophobicContact CB-CB 4.23Å; L507-L534 WeakPolarHBondContact CB-O 3.35Å; L507-L534 HydrophobicContact CD2-CB 4.3Å; L507-L534 PolarHBondContact N-O 3.18Å; L507-L534 PolarHBondContact O-N 3.25Å |
| 508 | K | 82.3 | Confident | 78.8 | Confident | 110 Ų | 110 | 63.4 Ų | 63.4 | 48% | 0.478 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | -40.6 | -172.7 | -173.7 | -174.4 | -177.3 | -173.9 | 0 | 112.8 | E487 D488 Y506 R533 | E487-K508 PolarHBondContact O-N 2.97Å; D488-K508 HydrophobicContact CB-CB 3.8Å; D488-K508 HydrophobicContact CB-CD 3.98Å; D488-K508 PolarHBondContact O-N 3.03Å; D488-K508 WeakPolarHBondContact OD2-CD 3.33Å; D488-K508 IonicContact OD2-NZ 2.82Å; D488-K508 PolarHBondContact OD2-NZ 3.16Å; Y506-K508 HydrophobicContact CE1-CB 4.07Å; K508-R533 WeakPolarHBondContact O-CB 3.31Å; K508-R533 WeakPolarHBondContact O-CD 3.37Å; K508-R533 WeakPolarHBondContact O-CG 3.3Å |
| 509 | L | 83.5 | Confident | 78.2 | Confident | 47 Ų | 47 | 56.2 Ų | 56.2 | 25% | 0.246 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 125.2 | 176 | -166.1 | 79.2 | 0 | 0 | 0 | 110.4 | F486 E487 L507 V531 | F486-L509 CarbonylContact C-O 3.57Å; F486-L509 WeakPolarHBondContact CA-O 3.39Å; E487-L509 HydrophobicContact CB-CB 3.94Å; E487-L509 HydrophobicContact CG-CB 4.21Å; E487-L509 HydrophobicContact CG-CD2 4.2Å; E487-L509 PolarHBondContact N-O 2.85Å; E487-L509 PolarHBondContact O-N 2.81Å; E487-L509 WeakPolarHBondContact OE2-CD2 3.27Å; L507-L509 WeakPolarHBondContact CD2-O 3.37Å; L509-V531 HydrophobicContact CD1-CG1 3.81Å |
| 510 | F | 85 | Confident | 77.3 | Confident | 37.5 Ų | 37.5 | 59.9 Ų | 59.9 | 16% | 0.164 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 124.9 | 165.1 | 176.9 | -121.2 | 0 | 0 | 0 | 108 | A484 F486 L507 L512 I530 V531 N532 L534 | A484-F510 HydrophobicContact CB-CE2 4.42Å; F486-F510 AromaticContact CD1-CD2 3.59Å; F486-F510 HydrophobicContact CD1-CD2 3.59Å; F486-F510 HydrophobicContact CD1-CE2 4.12Å; F486-F510 AromaticContact CE1-CD2 3.33Å; F486-F510 HydrophobicContact CE1-CD2 3.33Å; F486-F510 AromaticContact CE1-CE2 3.4Å; F486-F510 HydrophobicContact CE1-CE2 3.4Å; F486-F510 VanDerWaalsContact CE1-CE2 3.44Å; F486-F510 HydrophobicContact CE2-CE2 4.41Å; F486-F510 HydrophobicContact CG-CD2 4.43Å; F486-F510 AromaticContact CZ-CD2 3.93Å; F486-F510 HydrophobicContact CZ-CD2 3.98Å; F486-F510 AromaticContact CZ-CE2 3.63Å; F486-F510 HydrophobicContact CZ-CE2 3.63Å; L507-F510 HydrophobicContact CD2-CB 3.55Å; L507-F510 VanDerWaalsContact CD2-CB 3.44Å; L507-F510 HydrophobicContact CD2-CD2 4.34Å; L507-F510 HydrophobicContact CD2-CG 4.36Å; L507-F510 HydrophobicContact CG-CB 4.4Å; F510-L512 HydrophobicContact CE1-CB 3.9Å; F510-L512 HydrophobicContact CE2-CB 4.35Å; F510-L512 HydrophobicContact CZ-CB 3.67Å; F510-L512 HydrophobicContact CZ-CD2 4.35Å; F510-L512 HydrophobicContact CZ-CG 4.43Å; F510-I530 HydrophobicContact CE1-CG2 4.44Å; F510-V531 CarbonylContact O-C 3.58Å; F510-V531 VanDerWaalsContact O-CA 3.24Å; F510-V531 WeakPolarHBondContact O-CA 3.33Å; F510-N532 WeakPolarHBondContact CB-O 3.43Å; F510-N532 HydrophobicContact CD1-CB 4.46Å; F510-N532 PolarHBondContact N-O 3.02Å; F510-N532 PolarHBondContact O-N 3Å; F510-L534 HydrophobicContact CB-CD1 3.94Å; F510-L534 HydrophobicContact CD1-CD1 4.02Å; F510-L534 HydrophobicContact CG-CD1 4.11Å |
| 511 | N | 86 | Confident | 76.3 | Confident | 28 Ų | 28 | 66.9 Ų | 66.9 | 15% | 0.15 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 112.2 | 173.3 | 178.5 | 2 | 0 | 0 | 0 | 110.1 | A484 T485 N529 I530 V531 | A484-N511 CarbonylContact C-O 3.55Å; A484-N511 WeakPolarHBondContact CA-O 3.4Å; T485-N511 PolarHBondContact N-O 3.09Å; T485-N511 PolarHBondContact O-N 3.26Å; T485-N511 WeakPolarHBondContact OG1-CB 3.35Å; N511-N529 PolarHBondContact OD1-OD1 3.36Å; N511-I530 CarbonylContact C-O 3.51Å; N511-I530 VanDerWaalsContact CA-O 3.26Å; N511-I530 WeakPolarHBondContact CA-O 3.37Å; N511-V531 HydrophobicContact CB-CG2 4.35Å |
| 512 | L | 85.5 | Confident | 75.3 | Confident | 29.5 Ų | 29.5 | 66.8 Ų | 66.8 | 15% | 0.154 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 118.1 | 177.7 | 178.8 | 72 | 0 | 0 | 0 | 109.8 | L482 A484 F510 V514 N529 I530 | L482-L512 HydrophobicContact CD1-CD1 4.13Å; L482-L512 HydrophobicContact CD2-CD1 3.88Å; L482-L512 HydrophobicContact CG-CD1 3.83Å; A484-L512 HydrophobicContact CB-CD1 3.78Å; F510-L512 HydrophobicContact CE1-CB 3.9Å; F510-L512 HydrophobicContact CE2-CB 4.35Å; F510-L512 HydrophobicContact CZ-CB 3.67Å; F510-L512 HydrophobicContact CZ-CD2 4.35Å; F510-L512 HydrophobicContact CZ-CG 4.43Å; L512-V514 HydrophobicContact CG-CG2 4.44Å; L512-N529 CarbonylContact O-C 3.48Å; L512-N529 VanDerWaalsContact O-CA 3.28Å; L512-N529 WeakPolarHBondContact O-CA 3.41Å; L512-I530 HydrophobicContact CB-CB 4.3Å; L512-I530 HydrophobicContact CD2-CD1 4.28Å; L512-I530 PolarHBondContact N-O 3.2Å; L512-I530 PolarHBondContact O-N 3.01Å |
| 513 | K | 83.6 | Confident | 74.1 | Confident | 83 Ų | 83 | 71.4 Ų | 71.4 | 36% | 0.361 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 126.8 | 171.9 | -65 | -178.8 | -177.4 | 178.1 | 0 | 110.2 | H483 L528 N529 | H483-K513 HydrophobicContact CB-CB 4.46Å; H483-K513 PolarHBondContact N-O 2.79Å; H483-K513 PolarHBondContact O-N 3.26Å; K513-L528 CarbonylContact C-O 3.51Å; K513-L528 VanDerWaalsContact CA-O 3.28Å; K513-L528 WeakPolarHBondContact CA-O 3.33Å; K513-N529 HydrophobicContact CG-CB 4.49Å |
| 514 | V | 81.6 | Confident | 73.1 | Confident | 5.5 Ų | 5.5 | 73.2 Ų | 73.2 | 3% | 0.033 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 120.9 | 168.2 | -170.8 | 0 | 0 | 0 | 0 | 107.4 | F480 L481 L482 L512 Y527 L528 F565 | F480-V514 HydrophobicContact CB-CG1 4.23Å; F480-V514 HydrophobicContact CD1-CG1 4.08Å; F480-V514 HydrophobicContact CG-CG1 4.47Å; L481-V514 CarbonylContact O-C 3.47Å; L481-V514 VanDerWaalsContact O-CA 3.3Å; L481-V514 WeakPolarHBondContact O-CA 3.35Å; L482-V514 HydrophobicContact CD1-CG2 4.22Å; L482-V514 HydrophobicContact CG-CG2 4.34Å; L512-V514 HydrophobicContact CG-CG2 4.44Å; V514-Y527 CarbonylContact O-C 3.49Å; V514-Y527 VanDerWaalsContact O-CA 3.28Å; V514-Y527 WeakPolarHBondContact O-CA 3.32Å; V514-L528 HydrophobicContact CB-CB 4.12Å; V514-L528 HydrophobicContact CG2-CB 4.43Å; V514-L528 HydrophobicContact CG2-CD2 4.09Å; V514-L528 PolarHBondContact N-O 3.05Å; V514-L528 PolarHBondContact O-N 2.85Å; V514-F565 HydrophobicContact CB-CE2 4.02Å; V514-F565 HydrophobicContact CB-CZ 4.3Å; V514-F565 HydrophobicContact CG1-CE2 3.76Å; V514-F565 HydrophobicContact CG1-CZ 4.29Å |
| 515 | L | 79.6 | Confident | 72.2 | Confident | 66 Ų | 66 | 75.5 Ų | 75.5 | 35% | 0.346 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 134 | -173.8 | -60.9 | 173.2 | 0 | 0 | 0 | 109.9 | F480 L481 | F480-L515 CarbonylContact C-O 3.5Å; F480-L515 WeakPolarHBondContact CA-O 3.35Å; L481-L515 PolarHBondContact N-O 3.25Å; L481-L515 PolarHBondContact O-N 3.02Å |
| 516 | E | 77.1 | Confident | 71.6 | Confident | 61 Ų | 61 | 75.4 Ų | 75.4 | 29% | 0.285 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 140 | 170.9 | -166.7 | 171.2 | -154.3 | 0 | 0 | 111.2 | F480 L518 N526 | F480-E516 HydrophobicContact CD1-CB 3.95Å; F480-E516 HydrophobicContact CD1-CG 4.39Å; F480-E516 HydrophobicContact CE1-CB 3.53Å; F480-E516 HydrophobicContact CE1-CG 3.86Å; F480-E516 HydrophobicContact CE2-CG 4.33Å; F480-E516 HydrophobicContact CZ-CB 4.02Å; F480-E516 HydrophobicContact CZ-CG 3.8Å; E516-L518 PolarHBondContact O-N 2.89Å; E516-N526 HydrophobicContact CB-CB 4.07Å; E516-N526 PolarHBondContact N-O 3.1Å; E516-N526 VanDerWaalsContact N-O 3.12Å; E516-N526 VanDerWaalsContact OE2-CB 3.24Å; E516-N526 WeakPolarHBondContact OE2-CB 3.35Å; E516-N526 VanDerWaalsContact OE2-CG 3.27Å; E516-N526 PolarHBondContact OE2-ND2 3.31Å |
| 517 | R | 68 | Low | 71.5 | Confident | 190 Ų | 190 | 75.9 Ų | 75.9 | 72% | 0.717 | 41% | 0.406 | S | S | * | . | trans | -74.6 | 115.8 | 173.4 | -156.8 | 174.7 | -165.4 | 170.7 | 2 | 108.1 | G479 S519 | G479-R517 WeakPolarHBondContact O-CB 3.29Å; G479-R517 PolarHBondContact O-N 3.15Å; R517-S519 PolarHBondContact O-N 3.17Å | ||
| 518 | L | 60.4 | Low | 71.4 | Confident | 134 Ų | 134 | 76.5 Ų | 76.5 | 70% | 0.702 | 41% | 0.41 | S | S | * | . | trans | -48.3 | 119.9 | -175.1 | -85.2 | 138.9 | 0 | 0 | 0 | 112.4 | E516 V525 | E516-L518 PolarHBondContact O-N 2.89Å; L518-V525 HydrophobicContact CD1-CG2 4.18Å; L518-V525 HydrophobicContact CD2-CG2 4.24Å; L518-V525 HydrophobicContact CG-CG2 4.32Å | ||
| 519 | S | 55.9 | Low | 71.4 | Confident | 69.5 Ų | 69.5 | 73.3 Ų | 73.3 | 49% | 0.486 | 40% | 0.397 | S | S | . | . | trans | -90.9 | 142.3 | 161.7 | 166.5 | 0 | 0 | 0 | 0 | 108.6 | R517 E521 | R517-S519 PolarHBondContact O-N 3.17Å; S519-E521 PolarHBondContact O-N 3.09Å | ||
| 520 | A | 54.5 | Low | 71.3 | Confident | 111.5 Ų | 111.5 | 73.3 Ų | 73.3 | 92% | 0.921 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -9.9 | -175 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 521 | E | 50.9 | Low | 71.1 | Confident | 182.5 Ų | 182.5 | 73.5 Ų | 73.5 | 85% | 0.853 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | 0.8 | -169.8 | -66.5 | -177.5 | 166.4 | 0 | 0 | 115.5 | S519 | S519-E521 PolarHBondContact O-N 3.09Š|
| 522 | S | 52.4 | Low | 70.9 | Confident | 52.5 Ų | 52.5 | 72.8 Ų | 72.8 | 37% | 0.367 | 40% | 0.398 | S | S | . | . | trans | -138.4 | 126.3 | 178.9 | 58.6 | 0 | 0 | 0 | 0 | 114.1 | S524 | S522-S524 VanDerWaalsContact C-N 3.31Å; S522-S524 PolarHBondContact O-N 3.35Å | ||
| 523 | P | 56.3 | Low | 70.7 | Confident | 140.5 Ų | 140.5 | 77.5 Ų | 77.5 | 91% | 0.912 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -79.8 | -3.1 | -174.9 | 30.7 | -34.9 | 0 | 0 | 0 | 114.8 | ||
| 524 | S | 59.1 | Low | 70.7 | Confident | 64.5 Ų | 64.5 | 75.2 Ų | 75.2 | 45% | 0.451 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -113.2 | 115.5 | -177.9 | 60.8 | 0 | 0 | 0 | 0 | 111.7 | S522 N526 | S522-S524 VanDerWaalsContact C-N 3.31Å; S522-S524 PolarHBondContact O-N 3.35Å; S524-N526 PolarHBondContact O-N 3.12Å |
| 525 | V | 64.5 | Low | 70.8 | Confident | 66.5 Ų | 66.5 | 76.2 Ų | 76.2 | 40% | 0.403 | 41% | 0.411 | S | S | . | . | trans | -64.8 | 122.3 | 175 | 179.6 | 0 | 0 | 0 | 0 | 109.7 | L518 Y527 | L518-V525 HydrophobicContact CD1-CG2 4.18Å; L518-V525 HydrophobicContact CD2-CG2 4.24Å; L518-V525 HydrophobicContact CG-CG2 4.32Å; V525-Y527 WeakPolarHBondContact O-CD1 3.36Å; V525-Y527 PolarHBondContact O-N 2.81Å | ||
| 526 | N | 71.5 | Confident | 71.1 | Confident | 21 Ų | 21 | 75.5 Ų | 75.5 | 11% | 0.112 | 41% | 0.407 | C | S | . | . | trans | -77.8 | 122.6 | 171.2 | -69.2 | -39 | 0 | 0 | 0 | 109.9 | F480 E516 S524 S562 G564 F565 | F480-N526 HydrophobicContact CE1-CB 4.48Å; E516-N526 HydrophobicContact CB-CB 4.07Å; E516-N526 PolarHBondContact N-O 3.1Å; E516-N526 VanDerWaalsContact N-O 3.12Å; E516-N526 VanDerWaalsContact OE2-CB 3.24Å; E516-N526 WeakPolarHBondContact OE2-CB 3.35Å; E516-N526 VanDerWaalsContact OE2-CG 3.27Å; E516-N526 PolarHBondContact OE2-ND2 3.31Å; S524-N526 PolarHBondContact O-N 3.12Å; N526-S562 VanDerWaalsContact CA-OG 3.31Å; N526-S562 WeakPolarHBondContact CA-OG 3.32Å; N526-S562 PolarHBondContact OD1-OG 2.91Å; N526-G564 VanDerWaalsContact OD1-CA 3.23Å; N526-G564 WeakPolarHBondContact OD1-CA 3.26Å; N526-F565 HydrophobicContact CB-CB 4.33Å; N526-F565 PolarHBondContact OD1-N 2.91Å | ||
| 527 | Y | 80.8 | Confident | 71.3 | Confident | 78.5 Ų | 78.5 | 73.3 Ų | 73.3 | 31% | 0.308 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 154.9 | -178.9 | 68 | -88.8 | 0 | 0 | 0 | 113.1 | V514 V525 F561 S562 S611 | V514-Y527 CarbonylContact O-C 3.49Å; V514-Y527 VanDerWaalsContact O-CA 3.28Å; V514-Y527 WeakPolarHBondContact O-CA 3.32Å; V525-Y527 WeakPolarHBondContact O-CD1 3.36Å; V525-Y527 PolarHBondContact O-N 2.81Å; Y527-F561 VanDerWaalsContact O-CA 3.31Å; Y527-F561 WeakPolarHBondContact O-CA 3.3Å; Y527-S562 PolarHBondContact N-OG 3.19Å; Y527-S562 VanDerWaalsContact N-OG 3.16Å; Y527-S562 PolarHBondContact O-N 3.18Å; Y527-S562 VanDerWaalsContact O-N 3.16Å; Y527-S562 PolarHBondContact O-OG 2.81Å; Y527-S611 PolarHBondContact OH-OG 2.98Å |
| 528 | L | 80.5 | Confident | 72 | Confident | 28.5 Ų | 28.5 | 65.9 Ų | 65.9 | 15% | 0.149 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 129.9 | 160.5 | 170.5 | 70.1 | 0 | 0 | 0 | 107.6 | K513 V514 I530 S560 F561 F565 | K513-L528 CarbonylContact C-O 3.51Å; K513-L528 VanDerWaalsContact CA-O 3.28Å; K513-L528 WeakPolarHBondContact CA-O 3.33Å; V514-L528 HydrophobicContact CB-CB 4.12Å; V514-L528 HydrophobicContact CG2-CB 4.43Å; V514-L528 HydrophobicContact CG2-CD2 4.09Å; V514-L528 PolarHBondContact N-O 3.05Å; V514-L528 PolarHBondContact O-N 2.85Å; L528-I530 HydrophobicContact CD1-CD1 4.21Å; L528-I530 HydrophobicContact CD1-CG1 3.94Å; L528-I530 HydrophobicContact CD2-CD1 4.15Å; L528-I530 HydrophobicContact CD2-CG1 4.46Å; L528-I530 HydrophobicContact CG-CD1 4.36Å; L528-I530 HydrophobicContact CG-CG1 4.14Å; L528-S560 CarbonylContact C-O 3.58Å; L528-S560 WeakPolarHBondContact CA-O 3.34Å; L528-F561 HydrophobicContact CD1-CB 3.96Å; L528-F561 HydrophobicContact CD1-CD1 4.49Å; L528-F565 HydrophobicContact CB-CD1 3.96Å; L528-F565 HydrophobicContact CB-CD2 4.39Å; L528-F565 HydrophobicContact CB-CE1 3.6Å; L528-F565 HydrophobicContact CB-CE2 4.07Å; L528-F565 HydrophobicContact CB-CG 4.34Å; L528-F565 HydrophobicContact CB-CZ 3.66Å; L528-F565 HydrophobicContact CD1-CE1 4.38Å; L528-F565 HydrophobicContact CD2-CE1 3.77Å; L528-F565 HydrophobicContact CD2-CZ 3.79Å; L528-F565 HydrophobicContact CG-CE1 4.11Å; L528-F565 HydrophobicContact CG-CZ 4.32Å |
| 529 | N | 82.1 | Confident | 73 | Confident | 41.5 Ų | 41.5 | 61.5 Ų | 61.5 | 22% | 0.222 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 119.7 | 174 | 179.1 | 27.1 | 0 | 0 | 0 | 108.8 | N511 L512 K513 A559 S560 | N511-N529 PolarHBondContact OD1-OD1 3.36Å; L512-N529 CarbonylContact O-C 3.48Å; L512-N529 VanDerWaalsContact O-CA 3.28Å; L512-N529 WeakPolarHBondContact O-CA 3.41Å; K513-N529 HydrophobicContact CG-CB 4.49Å; N529-A559 CarbonylContact O-C 3.52Å; N529-A559 WeakPolarHBondContact O-CA 3.17Å; N529-S560 WeakPolarHBondContact CB-OG 3.36Å; N529-S560 PolarHBondContact N-O 3.05Å; N529-S560 PolarHBondContact O-N 2.87Å; N529-S560 PolarHBondContact O-OG 2.75Å |
| 530 | I | 82.2 | Confident | 74 | Confident | 48 Ų | 48 | 60.4 Ų | 60.4 | 25% | 0.246 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 114.5 | 177.8 | -57.6 | 178.5 | 0 | 0 | 0 | 107.8 | F510 N511 L512 L528 V558 A559 | F510-I530 HydrophobicContact CE1-CG2 4.44Å; N511-I530 CarbonylContact C-O 3.51Å; N511-I530 VanDerWaalsContact CA-O 3.26Å; N511-I530 WeakPolarHBondContact CA-O 3.37Å; L512-I530 HydrophobicContact CB-CB 4.3Å; L512-I530 HydrophobicContact CD2-CD1 4.28Å; L512-I530 PolarHBondContact N-O 3.2Å; L512-I530 PolarHBondContact O-N 3.01Å; L528-I530 HydrophobicContact CD1-CD1 4.21Å; L528-I530 HydrophobicContact CD1-CG1 3.94Å; L528-I530 HydrophobicContact CD2-CD1 4.15Å; L528-I530 HydrophobicContact CD2-CG1 4.46Å; L528-I530 HydrophobicContact CG-CD1 4.36Å; L528-I530 HydrophobicContact CG-CG1 4.14Å; I530-V558 CarbonylContact C-O 3.38Å; I530-V558 WeakPolarHBondContact CA-O 3.31Å; I530-A559 HydrophobicContact CG1-CB 4.38Å |
| 531 | V | 81.2 | Confident | 75 | Confident | 40.5 Ų | 40.5 | 55.7 Ų | 55.7 | 25% | 0.245 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 129.4 | 172.9 | -177.2 | 0 | 0 | 0 | 0 | 108.5 | L509 F510 N511 P557 V558 | L509-V531 HydrophobicContact CD1-CG1 3.81Å; F510-V531 CarbonylContact O-C 3.58Å; F510-V531 VanDerWaalsContact O-CA 3.24Å; F510-V531 WeakPolarHBondContact O-CA 3.33Å; N511-V531 HydrophobicContact CB-CG2 4.35Å; V531-P557 CarbonylContact O-C 3.55Å; V531-P557 VanDerWaalsContact O-CA 3.22Å; V531-P557 WeakPolarHBondContact O-CA 3.36Å; V531-V558 PolarHBondContact N-O 2.86Å; V531-V558 PolarHBondContact O-N 3.07Å |
| 532 | N | 81.2 | Confident | 75.8 | Confident | 14 Ų | 14 | 49.1 Ų | 49.1 | 8% | 0.075 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 153.9 | -178 | -165.8 | 14.4 | 0 | 0 | 0 | 112.4 | F510 L534 C554 Y555 P557 | F510-N532 WeakPolarHBondContact CB-O 3.43Å; F510-N532 HydrophobicContact CD1-CB 4.46Å; F510-N532 PolarHBondContact N-O 3.02Å; F510-N532 PolarHBondContact O-N 3Å; N532-L534 HydrophobicContact CB-CD1 4.4Å; N532-C554 VanDerWaalsContact ND2-CB 3.32Å; N532-C554 WeakPolarHBondContact ND2-CB 3.21Å; N532-C554 PolarHBondContact ND2-SG 2.95Å; N532-C554 WeakPolarHBondContact OD1-CB 3.29Å; N532-Y555 PolarHBondContact OD1-O 3.45Å; N532-P557 HydrophobicContact CB-CB 4.06Å; N532-P557 WeakPolarHBondContact OD1-CB 3.3Å |
| 533 | R | 82.3 | Confident | 76.4 | Confident | 128 Ų | 128 | 52 Ų | 52 | 48% | 0.483 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 128 | 162.2 | -117 | -170.3 | 175.1 | 172.7 | -2.5 | 108.2 | Y506 K508 C554 Y555 | Y506-R533 PolarHBondContact OH-NE 2.73Å; Y506-R533 PolarHBondContact OH-NH2 2.81Å; K508-R533 WeakPolarHBondContact O-CB 3.31Å; K508-R533 WeakPolarHBondContact O-CD 3.37Å; K508-R533 WeakPolarHBondContact O-CG 3.3Å; R533-C554 CarbonylContact O-C 3.49Å; R533-C554 VanDerWaalsContact O-CA 3.28Å; R533-C554 WeakPolarHBondContact O-CA 3.33Å; R533-Y555 PolarHBondContact O-N 2.88Å |
| 534 | L | 83.2 | Confident | 76.9 | Confident | 34.5 Ų | 34.5 | 50.2 Ų | 50.2 | 18% | 0.181 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 130.3 | -167.1 | -129.4 | 153.8 | 0 | 0 | 0 | 111 | L507 F510 N532 L536 L552 E553 C554 | L507-L534 WeakPolarHBondContact CA-O 3.48Å; L507-L534 HydrophobicContact CB-CB 4.23Å; L507-L534 WeakPolarHBondContact CB-O 3.35Å; L507-L534 HydrophobicContact CD2-CB 4.3Å; L507-L534 PolarHBondContact N-O 3.18Å; L507-L534 PolarHBondContact O-N 3.25Å; F510-L534 HydrophobicContact CB-CD1 3.94Å; F510-L534 HydrophobicContact CD1-CD1 4.02Å; F510-L534 HydrophobicContact CG-CD1 4.11Å; N532-L534 HydrophobicContact CB-CD1 4.4Å; L534-L536 HydrophobicContact CD2-CB 4.16Å; L534-L552 HydrophobicContact CD1-CD1 4.19Å; L534-L552 HydrophobicContact CD2-CD1 3.55Å; L534-L552 HydrophobicContact CD2-CD2 3.76Å; L534-L552 HydrophobicContact CD2-CG 3.78Å; L534-L552 HydrophobicContact CG-CD1 3.78Å; L534-E553 CarbonylContact C-O 3.59Å; L534-E553 WeakPolarHBondContact CA-O 3.43Å; L534-C554 VanDerWaalsContact CD2-SG 3.54Å |
| 535 | T | 83.8 | Confident | 77.1 | Confident | 28 Ų | 28 | 51.3 Ų | 51.3 | 17% | 0.172 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 119.6 | 169.5 | -53.1 | 0 | 0 | 0 | 0 | 107.6 | C505 Y506 T537 L552 E553 | C505-T535 CarbonylContact O-C 3.55Å; C505-T535 WeakPolarHBondContact O-CA 3.43Å; Y506-T535 HydrophobicContact CD1-CG2 3.45Å; Y506-T535 VanDerWaalsContact CD1-CG2 3.45Å; Y506-T535 HydrophobicContact CE1-CG2 3.41Å; Y506-T535 VanDerWaalsContact CE1-CG2 3.41Å; Y506-T535 HydrophobicContact CG-CG2 4.42Å; T535-T537 HydrophobicContact CG2-CG2 4.43Å; T535-L552 CarbonylContact O-C 3.57Å; T535-L552 WeakPolarHBondContact O-CA 3.47Å; T535-E553 PolarHBondContact N-O 2.98Å; T535-E553 PolarHBondContact O-N 3Å |
| 536 | L | 84.6 | Confident | 77.3 | Confident | 49.5 Ų | 49.5 | 55.7 Ų | 55.7 | 26% | 0.259 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 119.8 | 177.7 | 173.2 | 92.2 | 0 | 0 | 0 | 108.6 | S504 C505 L534 L538 V550 Q551 L552 | S504-L536 CarbonylContact C-O 3.28Å; S504-L536 WeakPolarHBondContact CA-O 3.43Å; C505-L536 HydrophobicContact CB-CB 4.23Å; C505-L536 HydrophobicContact CB-CD2 4.06Å; C505-L536 PolarHBondContact N-O 3.15Å; C505-L536 PolarHBondContact O-N 2.99Å; L534-L536 HydrophobicContact CD2-CB 4.16Å; L536-L538 HydrophobicContact CD1-CD2 4.13Å; L536-L538 HydrophobicContact CD1-CG 4.45Å; L536-L538 HydrophobicContact CD2-CD1 4.1Å; L536-L538 HydrophobicContact CD2-CD2 4.35Å; L536-L538 HydrophobicContact CD2-CG 4.07Å; L536-L538 HydrophobicContact CG-CD2 4.24Å; L536-L538 HydrophobicContact CG-CG 4.18Å; L536-V550 HydrophobicContact CD1-CG1 4.23Å; L536-Q551 CarbonylContact C-O 3.54Å; L536-Q551 WeakPolarHBondContact CA-O 3.46Å; L536-L552 HydrophobicContact CB-CD1 3.95Å; L536-L552 HydrophobicContact CD1-CD1 3.63Å; L536-L552 VanDerWaalsContact CD1-CD1 3.44Å; L536-L552 HydrophobicContact CG-CD1 4.27Å |
| 537 | T | 82.4 | Confident | 77.2 | Confident | 15 Ų | 15 | 57 Ų | 57 | 9% | 0.092 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 125.6 | 173.1 | 47.8 | 0 | 0 | 0 | 0 | 109.6 | L503 T535 Q551 | L503-T537 CarbonylContact O-C 3.48Å; L503-T537 WeakPolarHBondContact O-CA 3.37Å; T535-T537 HydrophobicContact CG2-CG2 4.43Å; T537-Q551 PolarHBondContact N-O 3.08Å; T537-Q551 PolarHBondContact O-N 3.09Å; T537-Q551 WeakPolarHBondContact OG1-CB 3.23Å; T537-Q551 WeakPolarHBondContact OG1-CG 3.49Å; T537-Q551 PolarHBondContact OG1-O 2.97Å; T537-Q551 PolarHBondContact OG1-OE1 3.42Å |
| 538 | L | 82.7 | Confident | 77.1 | Confident | 35.5 Ų | 35.5 | 57.8 Ų | 57.8 | 19% | 0.186 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 125.5 | 178.5 | -58.6 | 176 | 0 | 0 | 0 | 108.7 | Q502 L503 L536 L547 V550 | Q502-L538 CarbonylContact C-O 3.56Å; Q502-L538 WeakPolarHBondContact CA-O 3.3Å; L503-L538 HydrophobicContact CB-CB 4.24Å; L503-L538 HydrophobicContact CD2-CD1 4.04Å; L503-L538 PolarHBondContact N-O 3Å; L503-L538 PolarHBondContact O-N 3.13Å; L536-L538 HydrophobicContact CD1-CD2 4.13Å; L536-L538 HydrophobicContact CD1-CG 4.45Å; L536-L538 HydrophobicContact CD2-CD1 4.1Å; L536-L538 HydrophobicContact CD2-CD2 4.35Å; L536-L538 HydrophobicContact CD2-CG 4.07Å; L536-L538 HydrophobicContact CG-CD2 4.24Å; L536-L538 HydrophobicContact CG-CG 4.18Å; L538-L547 HydrophobicContact CB-CD2 3.96Å; L538-L547 HydrophobicContact CD2-CD2 4Å; L538-L547 HydrophobicContact CG-CD2 4.44Å; L538-V550 HydrophobicContact CD2-CB 4.15Å; L538-V550 HydrophobicContact CD2-CG1 3.81Å; L538-V550 HydrophobicContact CD2-CG2 3.79Å |
| 539 | Q | 81.3 | Confident | 77.2 | Confident | 40.5 Ų | 40.5 | 57.4 Ų | 57.4 | 19% | 0.189 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 125.3 | 172.3 | -64 | -177.6 | -12.1 | 0 | 0 | 110.6 | W501 Q502 K548 L549 | W501-Q539 CarbonylContact O-C 3.52Å; W501-Q539 WeakPolarHBondContact O-CA 3.39Å; Q502-Q539 HydrophobicContact CG-CG 4.47Å; Q539-K548 PolarHBondContact O-N 2.84Å; Q539-L549 HydrophobicContact CB-CB 4.03Å; Q539-L549 HydrophobicContact CG-CB 4.17Å; Q539-L549 HydrophobicContact CG-CD2 4.41Å; Q539-L549 PolarHBondContact N-O 3.41Å |
| 540 | L | 77.1 | Confident | 77.3 | Confident | 46.5 Ų | 46.5 | 56.8 Ų | 56.8 | 24% | 0.243 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 135.4 | -177.1 | -71.8 | 150.1 | 0 | 0 | 0 | 110 | L500 W501 L547 | L500-L540 WeakPolarHBondContact CA-O 3.31Å; W501-L540 PolarHBondContact N-O 3.29Å; W501-L540 PolarHBondContact O-N 2.9Å; L540-L547 HydrophobicContact CD2-CD2 4.23Å; L540-L547 HydrophobicContact CD2-CG 3.88Å; L540-L547 HydrophobicContact CG-CD2 4.41Å; L540-L547 HydrophobicContact CG-CG 4.48Å |
| 541 | S | 75.2 | Confident | 77.4 | Confident | 14 Ų | 14 | 56.6 Ų | 56.6 | 10% | 0.098 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 134.7 | 170.4 | -153.9 | 0 | 0 | 0 | 0 | 110.4 | L545 R546 K548 | S541-L545 WeakPolarHBondContact O-CA 3.34Å; S541-L545 PolarHBondContact O-N 2.82Å; S541-L545 VanDerWaalsContact O-N 3.1Å; S541-R546 PolarHBondContact N-O 2.85Å; S541-K548 WeakPolarHBondContact OG-CE 3.37Å; S541-K548 PolarHBondContact OG-NZ 2.88Å |
| 542 | T | 66.6 | Low | 77.7 | Confident | 44 Ų | 44 | 56.5 Ų | 56.5 | 27% | 0.27 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -41.1 | 179.3 | 44.5 | 0 | 0 | 0 | 0 | 113.7 | N499 W501 | N499-T542 WeakPolarHBondContact CA-OG1 3.28Å; N499-T542 PolarHBondContact O-N 2.83Å; N499-T542 PolarHBondContact O-OG1 2.87Å; N499-T542 PolarHBondContact OD1-OG1 2.86Å; W501-T542 VanDerWaalsContact NE1-CG2 3.29Å |
| 543 | D | 65.5 | Low | 77.9 | Confident | 112 Ų | 112 | 58 Ų | 58 | 60% | 0.599 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -34.5 | -165.1 | -52.9 | -21.9 | 0 | 0 | 0 | 111.8 | N499 | N499-D543 PolarHBondContact ND2-OD2 2.83Š|
| 544 | D | 66.2 | Low | 78 | Confident | 103.5 Ų | 103.5 | 52.1 Ų | 52.1 | 55% | 0.553 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.9 | -4.2 | -173.2 | -74.9 | -11.3 | 0 | 0 | 0 | 114.4 | R546 | D544-R546 HydrophobicContact CB-CB 4.38Å; D544-R546 HydrophobicContact CB-CG 3.96Å; D544-R546 PolarHBondContact O-N 2.78Å |
| 545 | L | 64 | Low | 78 | Confident | 88 Ų | 88 | 55.3 Ų | 55.3 | 46% | 0.461 | 27% | 0.272 | S | S | . | . | trans | 51.4 | 21.6 | -171.3 | -72.1 | 162.6 | 0 | 0 | 0 | 114 | K452 C456 S541 | K452-L545 HydrophobicContact CD-CD1 4.39Å; C456-L545 VanDerWaalsContact SG-CD2 3.6Å; S541-L545 WeakPolarHBondContact O-CA 3.34Å; S541-L545 PolarHBondContact O-N 2.82Å; S541-L545 VanDerWaalsContact O-N 3.1Å | ||
| 546 | R | 68.9 | Low | 78 | Confident | 158.5 Ų | 158.5 | 57.3 Ų | 57.3 | 60% | 0.598 | 29% | 0.287 | S | S | * | . | trans | -80.1 | 131 | 176.1 | -70.8 | 177.9 | -175.7 | -175.2 | 4.8 | 109.3 | S541 D544 K548 | S541-R546 PolarHBondContact N-O 2.85Å; D544-R546 HydrophobicContact CB-CB 4.38Å; D544-R546 HydrophobicContact CB-CG 3.96Å; D544-R546 PolarHBondContact O-N 2.78Å; R546-K548 PolarHBondContact O-N 2.75Å | ||
| 547 | L | 70.3 | Confident | 78 | Confident | 48.5 Ų | 48.5 | 55.7 Ų | 55.7 | 25% | 0.254 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 132 | 167.1 | -88.9 | 151 | 0 | 0 | 0 | 108.4 | L538 L540 V550 T597 | L538-L547 HydrophobicContact CB-CD2 3.96Å; L538-L547 HydrophobicContact CD2-CD2 4Å; L538-L547 HydrophobicContact CG-CD2 4.44Å; L540-L547 HydrophobicContact CD2-CD2 4.23Å; L540-L547 HydrophobicContact CD2-CG 3.88Å; L540-L547 HydrophobicContact CG-CD2 4.41Å; L540-L547 HydrophobicContact CG-CG 4.48Å; L547-V550 HydrophobicContact CD2-CG2 3.96Å; L547-T597 HydrophobicContact CB-CG2 3.65Å; L547-T597 VanDerWaalsContact CB-CG2 3.49Å; L547-T597 WeakPolarHBondContact O-CG2 3.37Å |
| 548 | K | 77.7 | Confident | 78.2 | Confident | 94.5 Ų | 94.5 | 57 Ų | 57 | 41% | 0.411 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | -50.9 | 174 | -80.2 | -177.5 | 171.6 | 174.9 | 0 | 110.8 | L500 Q539 S541 R546 T597 S598 | L500-K548 HydrophobicContact CD2-CD 3.76Å; L500-K548 HydrophobicContact CG-CD 4.46Å; Q539-K548 PolarHBondContact O-N 2.84Å; S541-K548 WeakPolarHBondContact OG-CE 3.37Å; S541-K548 PolarHBondContact OG-NZ 2.88Å; R546-K548 PolarHBondContact O-N 2.75Å; K548-T597 WeakPolarHBondContact O-CA 3.43Å; K548-S598 PolarHBondContact O-N 2.83Å; K548-S598 PolarHBondContact O-OG 2.72Å |
| 549 | L | 82.5 | Confident | 78.4 | Confident | 20.5 Ų | 20.5 | 56.4 Ų | 56.4 | 11% | 0.107 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 136.4 | -179.9 | 177.9 | 68 | 0 | 0 | 0 | 110.6 | Q539 Q551 S598 E600 | Q539-L549 HydrophobicContact CB-CB 4.03Å; Q539-L549 HydrophobicContact CG-CB 4.17Å; Q539-L549 HydrophobicContact CG-CD2 4.41Å; Q539-L549 PolarHBondContact N-O 3.41Å; L549-Q551 HydrophobicContact CD2-CB 4.47Å; L549-Q551 HydrophobicContact CG-CB 4.43Å; L549-S598 CarbonylContact C-O 3.56Å; L549-S598 WeakPolarHBondContact CA-O 3.38Å; L549-S598 VanDerWaalsContact CD1-OG 3.22Å; L549-S598 WeakPolarHBondContact CD1-OG 3.15Å; L549-E600 HydrophobicContact CD1-CG 4.18Å |
| 550 | V | 84.1 | Confident | 78.5 | Confident | 28.5 Ų | 28.5 | 55.2 Ų | 55.2 | 17% | 0.173 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 109.2 | 166.9 | 176.6 | 0 | 0 | 0 | 0 | 107.3 | L536 L538 L547 S598 F599 E600 | L536-V550 HydrophobicContact CD1-CG1 4.23Å; L538-V550 HydrophobicContact CD2-CB 4.15Å; L538-V550 HydrophobicContact CD2-CG1 3.81Å; L538-V550 HydrophobicContact CD2-CG2 3.79Å; L547-V550 HydrophobicContact CD2-CG2 3.96Å; V550-S598 PolarHBondContact N-O 2.79Å; V550-F599 HydrophobicContact CB-CD2 3.96Å; V550-F599 HydrophobicContact CG1-CD2 3.79Å; V550-F599 HydrophobicContact CG1-CE2 4.03Å; V550-F599 CarbonylContact O-C 3.57Å; V550-F599 WeakPolarHBondContact O-CA 3.3Å; V550-E600 PolarHBondContact O-N 2.68Å |
| 551 | Q | 85.6 | Confident | 78.8 | Confident | 45 Ų | 45 | 55.6 Ų | 55.6 | 21% | 0.21 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 127.3 | 176.3 | 170.2 | -174.5 | 9.5 | 0 | 0 | 109.9 | L536 T537 L549 E553 E600 | L536-Q551 CarbonylContact C-O 3.54Å; L536-Q551 WeakPolarHBondContact CA-O 3.46Å; T537-Q551 PolarHBondContact N-O 3.08Å; T537-Q551 PolarHBondContact O-N 3.09Å; T537-Q551 WeakPolarHBondContact OG1-CB 3.23Å; T537-Q551 WeakPolarHBondContact OG1-CG 3.49Å; T537-Q551 PolarHBondContact OG1-O 2.97Å; T537-Q551 PolarHBondContact OG1-OE1 3.42Å; L549-Q551 HydrophobicContact CD2-CB 4.47Å; L549-Q551 HydrophobicContact CG-CB 4.43Å; Q551-E553 HydrophobicContact CG-CG 4.41Å; Q551-E553 PolarHBondContact NE2-OE1 3.11Å; Q551-E600 CarbonylContact C-O 3.53Å; Q551-E600 WeakPolarHBondContact CA-O 3.29Å; Q551-E600 HydrophobicContact CB-CB 4.28Å; Q551-E600 HydrophobicContact CG-CB 4.36Å |
| 552 | L | 86.6 | Confident | 79.1 | Confident | 38 Ų | 38 | 55.3 Ų | 55.3 | 20% | 0.199 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 114.9 | -180 | -169.8 | 81.5 | 0 | 0 | 0 | 109.2 | L534 T535 L536 E600 L601 M602 | L534-L552 HydrophobicContact CD1-CD1 4.19Å; L534-L552 HydrophobicContact CD2-CD1 3.55Å; L534-L552 HydrophobicContact CD2-CD2 3.76Å; L534-L552 HydrophobicContact CD2-CG 3.78Å; L534-L552 HydrophobicContact CG-CD1 3.78Å; T535-L552 CarbonylContact O-C 3.57Å; T535-L552 WeakPolarHBondContact O-CA 3.47Å; L536-L552 HydrophobicContact CB-CD1 3.95Å; L536-L552 HydrophobicContact CD1-CD1 3.63Å; L536-L552 VanDerWaalsContact CD1-CD1 3.44Å; L536-L552 HydrophobicContact CG-CD1 4.27Å; L552-E600 PolarHBondContact N-O 3Å; L552-L601 HydrophobicContact CB-CD1 3.84Å; L552-L601 HydrophobicContact CD2-CD1 3.44Å; L552-L601 HydrophobicContact CG-CD1 3.95Å; L552-L601 CarbonylContact O-C 3.52Å; L552-L601 WeakPolarHBondContact O-CA 3.32Å; L552-M602 PolarHBondContact O-N 2.96Å |
| 553 | E | 84.8 | Confident | 79.4 | Confident | 44.5 Ų | 44.5 | 54.7 Ų | 54.7 | 21% | 0.208 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 124.8 | 174.8 | -57.5 | -171.2 | 174.1 | 0 | 0 | 110.9 | L534 T535 Q551 Y555 M602 | L534-E553 CarbonylContact C-O 3.59Å; L534-E553 WeakPolarHBondContact CA-O 3.43Å; T535-E553 PolarHBondContact N-O 2.98Å; T535-E553 PolarHBondContact O-N 3Å; Q551-E553 HydrophobicContact CG-CG 4.41Å; Q551-E553 PolarHBondContact NE2-OE1 3.11Å; E553-Y555 HydrophobicContact CB-CE2 3.89Å; E553-Y555 PolarHBondContact OE2-OH 3.08Å; E553-M602 CarbonylContact C-O 3.52Å; E553-M602 VanDerWaalsContact CA-O 3.27Å; E553-M602 WeakPolarHBondContact CA-O 3.37Å; E553-M602 HydrophobicContact CG-CB 4.35Å |
| 554 | C | 85.7 | Confident | 79.7 | Confident | 5.5 Ų | 5.5 | 50.1 Ų | 50.1 | 4% | 0.037 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 126.6 | 175.9 | -59.5 | 0 | 0 | 0 | 0 | 109.4 | N532 R533 L534 P557 M602 I603 S604 | N532-C554 VanDerWaalsContact ND2-CB 3.32Å; N532-C554 WeakPolarHBondContact ND2-CB 3.21Å; N532-C554 PolarHBondContact ND2-SG 2.95Å; N532-C554 WeakPolarHBondContact OD1-CB 3.29Å; R533-C554 CarbonylContact O-C 3.49Å; R533-C554 VanDerWaalsContact O-CA 3.28Å; R533-C554 WeakPolarHBondContact O-CA 3.33Å; L534-C554 VanDerWaalsContact CD2-SG 3.54Å; C554-P557 HydrophobicContact CB-CG 4.43Å; C554-M602 PolarHBondContact N-O 2.91Å; C554-I603 HydrophobicContact CB-CB 4.24Å; C554-I603 HydrophobicContact CB-CD1 4.25Å; C554-I603 HydrophobicContact CB-CG1 3.91Å; C554-I603 HydrophobicContact CB-CG2 4.04Å; C554-I603 CarbonylContact O-C 3.49Å; C554-I603 WeakPolarHBondContact O-CA 3.36Å; C554-S604 PolarHBondContact O-N 2.84Å |
| 555 | Y | 83.1 | Confident | 80 | Confident | 102 Ų | 102 | 46.1 Ų | 46.1 | 40% | 0.4 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 120.8 | 177.9 | -68.7 | -90.7 | 0 | 0 | 0 | 110.5 | N532 R533 E553 | N532-Y555 PolarHBondContact OD1-O 3.45Å; R533-Y555 PolarHBondContact O-N 2.88Å; E553-Y555 HydrophobicContact CB-CE2 3.89Å; E553-Y555 PolarHBondContact OE2-OH 3.08Å |
| 556 | S | 82.9 | Confident | 80.3 | Confident | 68.5 Ų | 68.5 | 43.1 Ų | 43.1 | 48% | 0.479 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 51.1 | 52.4 | 177.7 | 53.9 | 0 | 0 | 0 | 0 | 115 | V558 S604 R605 | S556-V558 PolarHBondContact O-N 3.11Å; S556-S604 VanDerWaalsContact CA-O 3.31Å; S556-S604 WeakPolarHBondContact CA-O 3.34Å; S556-S604 PolarHBondContact N-O 3.32Å; S556-R605 WeakPolarHBondContact CA-O 3.42Å |
| 557 | P | 85.7 | Confident | 80.3 | Confident | 16.5 Ų | 16.5 | 40.4 Ų | 40.4 | 11% | 0.107 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 132.7 | 176.7 | 26.4 | -30.9 | 0 | 0 | 0 | 111.1 | V531 N532 C554 I603 P606 L607 | V531-P557 CarbonylContact O-C 3.55Å; V531-P557 VanDerWaalsContact O-CA 3.22Å; V531-P557 WeakPolarHBondContact O-CA 3.36Å; N532-P557 HydrophobicContact CB-CB 4.06Å; N532-P557 WeakPolarHBondContact OD1-CB 3.3Å; C554-P557 HydrophobicContact CB-CG 4.43Å; P557-I603 HydrophobicContact CG-CG2 3.31Å; P557-P606 HydrophobicContact CG-CB 3.81Å; P557-P606 WeakPolarHBondContact O-CA 3.43Å; P557-L607 PolarHBondContact O-N 3.28Å |
| 558 | V | 85.8 | Confident | 80.3 | Confident | 43.5 Ų | 43.5 | 39.9 Ų | 39.9 | 26% | 0.264 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 113.7 | 172.7 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | I530 V531 S556 L607 | I530-V558 CarbonylContact C-O 3.38Å; I530-V558 WeakPolarHBondContact CA-O 3.31Å; V531-V558 PolarHBondContact N-O 2.86Å; V531-V558 PolarHBondContact O-N 3.07Å; S556-V558 PolarHBondContact O-N 3.11Å; V558-L607 CarbonylContact C-O 3.54Å; V558-L607 WeakPolarHBondContact CA-O 3.36Å; V558-L607 HydrophobicContact CG1-CD2 4.42Å; V558-L607 HydrophobicContact CG2-CB 4.45Å; V558-L607 HydrophobicContact CG2-CD2 4.46Å |
| 559 | A | 86.1 | Confident | 79.9 | Confident | 21 Ų | 21 | 38 Ų | 38 | 17% | 0.174 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 125 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | N529 I530 L607 V608 R609 | N529-A559 CarbonylContact O-C 3.52Å; N529-A559 WeakPolarHBondContact O-CA 3.17Å; I530-A559 HydrophobicContact CG1-CB 4.38Å; A559-L607 PolarHBondContact N-O 2.96Å; A559-V608 HydrophobicContact CB-CG2 4.35Å; A559-V608 CarbonylContact O-C 3.55Å; A559-V608 VanDerWaalsContact O-CA 3.28Å; A559-V608 WeakPolarHBondContact O-CA 3.35Å; A559-R609 PolarHBondContact O-N 3.11Å |
| 560 | S | 83.9 | Confident | 79.2 | Confident | 15.5 Ų | 15.5 | 40.8 Ų | 40.8 | 11% | 0.108 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 128.2 | 174.5 | 57.3 | 0 | 0 | 0 | 0 | 110.4 | L528 N529 R609 | L528-S560 CarbonylContact C-O 3.58Å; L528-S560 WeakPolarHBondContact CA-O 3.34Å; N529-S560 WeakPolarHBondContact CB-OG 3.36Å; N529-S560 PolarHBondContact N-O 3.05Å; N529-S560 PolarHBondContact O-N 2.87Å; N529-S560 PolarHBondContact O-OG 2.75Å; S560-R609 VanDerWaalsContact CA-O 3.31Å; S560-R609 WeakPolarHBondContact CA-O 3.43Å |
| 561 | F | 84 | Confident | 78.4 | Confident | 56.5 Ų | 56.5 | 47.7 Ų | 47.7 | 25% | 0.248 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 149.4 | 178.6 | 58.8 | -87.9 | 0 | 0 | 0 | 112.5 | Y527 L528 F565 A566 V608 R609 F610 S611 | Y527-F561 VanDerWaalsContact O-CA 3.31Å; Y527-F561 WeakPolarHBondContact O-CA 3.3Å; L528-F561 HydrophobicContact CD1-CB 3.96Å; L528-F561 HydrophobicContact CD1-CD1 4.49Å; F561-F565 HydrophobicContact CB-CD1 4.37Å; F561-A566 HydrophobicContact CD2-CB 4.31Å; F561-A566 HydrophobicContact CE2-CB 4.35Å; F561-V608 HydrophobicContact CD1-CG1 4.32Å; F561-V608 HydrophobicContact CE1-CG1 3.47Å; F561-V608 VanDerWaalsContact CE1-CG1 3.44Å; F561-V608 HydrophobicContact CZ-CG1 4.21Å; F561-R609 PolarHBondContact N-O 2.75Å; F561-R609 VanDerWaalsContact N-O 3.11Å; F561-F610 AromaticContact CD2-CD2 3.49Å; F561-F610 HydrophobicContact CD2-CD2 3.49Å; F561-F610 VanDerWaalsContact CD2-CD2 3.47Å; F561-F610 AromaticContact CD2-CE2 3.8Å; F561-F610 HydrophobicContact CD2-CE2 3.8Å; F561-F610 HydrophobicContact CE2-CB 4.5Å; F561-F610 AromaticContact CE2-CD2 3.17Å; F561-F610 HydrophobicContact CE2-CD2 3.17Å; F561-F610 AromaticContact CE2-CE2 3.55Å; F561-F610 HydrophobicContact CE2-CE2 3.55Å; F561-F610 HydrophobicContact CE2-CG 4.18Å; F561-F610 HydrophobicContact CG-CD2 4.47Å; F561-F610 HydrophobicContact CZ-CB 4.48Å; F561-F610 AromaticContact CZ-CD2 3.96Å; F561-F610 HydrophobicContact CZ-CD2 3.96Å; F561-S611 PolarHBondContact O-N 3.25Å |
| 562 | S | 82 | Confident | 77.5 | Confident | 7 Ų | 7 | 48.3 Ų | 48.3 | 5% | 0.049 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 156.5 | 177.6 | 60.8 | 0 | 0 | 0 | 0 | 112.6 | N526 Y527 G564 F565 A566 | N526-S562 VanDerWaalsContact CA-OG 3.31Å; N526-S562 WeakPolarHBondContact CA-OG 3.32Å; N526-S562 PolarHBondContact OD1-OG 2.91Å; Y527-S562 PolarHBondContact N-OG 3.19Å; Y527-S562 VanDerWaalsContact N-OG 3.16Å; Y527-S562 PolarHBondContact O-N 3.18Å; Y527-S562 VanDerWaalsContact O-N 3.16Å; Y527-S562 PolarHBondContact O-OG 2.81Å; S562-G564 VanDerWaalsContact C-N 3.32Å; S562-G564 PolarHBondContact O-N 2.92Å; S562-F565 PolarHBondContact O-N 2.86Å; S562-F565 WeakPolarHBondContact OG-CB 3.27Å; S562-F565 PolarHBondContact OG-N 2.98Å; S562-A566 PolarHBondContact O-N 3.27Å; S562-A566 VanDerWaalsContact O-N 3.16Å |
| 563 | S | 72.9 | Confident | 76.1 | Confident | 31 Ų | 31 | 52.2 Ų | 52.2 | 22% | 0.217 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.4 | -39.3 | 175.4 | 61.1 | 0 | 0 | 0 | 0 | 113.4 | A566 N567 S611 | S563-A566 PolarHBondContact O-N 3.07Å; S563-N567 PolarHBondContact O-N 3.15Å; S563-N567 VanDerWaalsContact O-N 3.15Å; S563-S611 PolarHBondContact N-O 3.14Å; S563-S611 VanDerWaalsContact N-O 3.11Å |
| 564 | G | 71.1 | Confident | 74.8 | Confident | 16.5 Ų | 16.5 | 55.9 Ų | 55.9 | 17% | 0.17 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.7 | -37.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N526 S562 A566 N567 V568 | N526-G564 VanDerWaalsContact OD1-CA 3.23Å; N526-G564 WeakPolarHBondContact OD1-CA 3.26Å; S562-G564 VanDerWaalsContact C-N 3.32Å; S562-G564 PolarHBondContact O-N 2.92Å; G564-A566 PolarHBondContact O-N 3.09Å; G564-N567 PolarHBondContact O-N 2.96Å; G564-V568 WeakPolarHBondContact O-CG2 3.44Å; G564-V568 PolarHBondContact O-N 3.1Å; G564-V568 VanDerWaalsContact O-N 3.12Å |
| 565 | F | 72.3 | Confident | 73.6 | Confident | 19.5 Ų | 19.5 | 62.5 Ų | 62.5 | 9% | 0.086 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 174.1 | -172.8 | -94.1 | 0 | 0 | 0 | 112.3 | F480 V514 N526 L528 F561 S562 N567 V568 V569 | F480-F565 HydrophobicContact CD1-CD2 4.44Å; F480-F565 HydrophobicContact CD1-CE2 4.44Å; F480-F565 AromaticContact CE1-CD2 3.93Å; F480-F565 HydrophobicContact CE1-CD2 4.07Å; F480-F565 HydrophobicContact CE1-CE2 4.3Å; V514-F565 HydrophobicContact CB-CE2 4.02Å; V514-F565 HydrophobicContact CB-CZ 4.3Å; V514-F565 HydrophobicContact CG1-CE2 3.76Å; V514-F565 HydrophobicContact CG1-CZ 4.29Å; N526-F565 HydrophobicContact CB-CB 4.33Å; N526-F565 PolarHBondContact OD1-N 2.91Å; L528-F565 HydrophobicContact CB-CD1 3.96Å; L528-F565 HydrophobicContact CB-CD2 4.39Å; L528-F565 HydrophobicContact CB-CE1 3.6Å; L528-F565 HydrophobicContact CB-CE2 4.07Å; L528-F565 HydrophobicContact CB-CG 4.34Å; L528-F565 HydrophobicContact CB-CZ 3.66Å; L528-F565 HydrophobicContact CD1-CE1 4.38Å; L528-F565 HydrophobicContact CD2-CE1 3.77Å; L528-F565 HydrophobicContact CD2-CZ 3.79Å; L528-F565 HydrophobicContact CG-CE1 4.11Å; L528-F565 HydrophobicContact CG-CZ 4.32Å; F561-F565 HydrophobicContact CB-CD1 4.37Å; S562-F565 PolarHBondContact O-N 2.86Å; S562-F565 WeakPolarHBondContact OG-CB 3.27Å; S562-F565 PolarHBondContact OG-N 2.98Å; F565-N567 VanDerWaalsContact C-N 3.34Å; F565-N567 PolarHBondContact O-N 2.93Å; F565-V568 PolarHBondContact O-N 3.09Å; F565-V569 HydrophobicContact CD1-CG2 3.98Å; F565-V569 HydrophobicContact CE1-CG2 3.5Å; F565-V569 VanDerWaalsContact CE1-CG2 3.45Å; F565-V569 HydrophobicContact CZ-CG2 3.89Å; F565-V569 WeakPolarHBondContact O-CG2 3.5Å; F565-V569 PolarHBondContact O-N 3.24Å; F565-V569 VanDerWaalsContact O-N 3.09Å |
| 566 | A | 70.2 | Confident | 72.2 | Confident | 25 Ų | 25 | 65.8 Ų | 65.8 | 21% | 0.207 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F561 S562 S563 G564 V568 V569 C570 F610 | F561-A566 HydrophobicContact CD2-CB 4.31Å; F561-A566 HydrophobicContact CE2-CB 4.35Å; S562-A566 PolarHBondContact O-N 3.27Å; S562-A566 VanDerWaalsContact O-N 3.16Å; S563-A566 PolarHBondContact O-N 3.07Å; G564-A566 PolarHBondContact O-N 3.09Å; A566-V568 VanDerWaalsContact C-N 3.34Å; A566-V568 PolarHBondContact O-N 3.26Å; A566-V569 PolarHBondContact O-N 3.15Å; A566-C570 WeakPolarHBondContact O-CB 3.33Å; A566-C570 PolarHBondContact O-N 3.03Å; A566-C570 PolarHBondContact O-SG 2.99Å; A566-C570 VanDerWaalsContact O-SG 3.33Å; A566-F610 HydrophobicContact CB-CE2 4.29Å |
| 567 | N | 68.9 | Low | 70.7 | Confident | 100.5 Ų | 100.5 | 67.6 Ų | 67.6 | 54% | 0.537 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63 | -38.5 | 176.8 | -78.7 | -23.2 | 0 | 0 | 0 | 112.7 | S563 G564 F565 C570 R571 | S563-N567 PolarHBondContact O-N 3.15Å; S563-N567 VanDerWaalsContact O-N 3.15Å; G564-N567 PolarHBondContact O-N 2.96Å; F565-N567 VanDerWaalsContact C-N 3.34Å; F565-N567 PolarHBondContact O-N 2.93Å; N567-C570 PolarHBondContact O-N 2.91Å; N567-R571 WeakPolarHBondContact O-CB 3.28Å; N567-R571 VanDerWaalsContact O-CG 3.29Å; N567-R571 WeakPolarHBondContact O-CG 3.4Å; N567-R571 PolarHBondContact O-N 2.93Å |
| 568 | V | 70.7 | Confident | 69 | Low | 38.5 Ų | 38.5 | 71.1 Ų | 71.1 | 23% | 0.233 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.7 | -46.1 | 176.2 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | F480 G564 F565 A566 R571 Q572 | F480-V568 HydrophobicContact CE2-CG1 4.01Å; F480-V568 HydrophobicContact CZ-CB 4.46Å; F480-V568 HydrophobicContact CZ-CG1 3.99Å; F480-V568 HydrophobicContact CZ-CG2 4.17Å; G564-V568 WeakPolarHBondContact O-CG2 3.44Å; G564-V568 PolarHBondContact O-N 3.1Å; G564-V568 VanDerWaalsContact O-N 3.12Å; F565-V568 PolarHBondContact O-N 3.09Å; A566-V568 VanDerWaalsContact C-N 3.34Å; A566-V568 PolarHBondContact O-N 3.26Å; V568-R571 PolarHBondContact O-N 3.08Å; V568-Q572 WeakPolarHBondContact O-CG 3.39Å; V568-Q572 PolarHBondContact O-N 3.02Å |
| 569 | V | 68.9 | Low | 67.2 | Low | 54 Ų | 54 | 78.7 Ų | 78.7 | 33% | 0.327 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.3 | -46.4 | 177.2 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | F565 A566 R571 Q572 M573 | F565-V569 HydrophobicContact CD1-CG2 3.98Å; F565-V569 HydrophobicContact CE1-CG2 3.5Å; F565-V569 VanDerWaalsContact CE1-CG2 3.45Å; F565-V569 HydrophobicContact CZ-CG2 3.89Å; F565-V569 WeakPolarHBondContact O-CG2 3.5Å; F565-V569 PolarHBondContact O-N 3.24Å; F565-V569 VanDerWaalsContact O-N 3.09Å; A566-V569 PolarHBondContact O-N 3.15Å; V569-R571 PolarHBondContact O-N 3.19Å; V569-Q572 PolarHBondContact O-N 3.06Å; V569-M573 HydrophobicContact CG1-CG 4.37Å; V569-M573 WeakPolarHBondContact O-CB 3.32Å; V569-M573 WeakPolarHBondContact O-CG 3.26Å; V569-M573 PolarHBondContact O-N 3.37Å |
| 570 | C | 67.4 | Low | 65.5 | Low | 80.5 Ų | 80.5 | 81.4 Ų | 81.4 | 54% | 0.544 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -58 | -48.3 | 177.3 | -76.2 | 0 | 0 | 0 | 0 | 111.7 | A566 N567 Q572 M573 E574 | A566-C570 WeakPolarHBondContact O-CB 3.33Å; A566-C570 PolarHBondContact O-N 3.03Å; A566-C570 PolarHBondContact O-SG 2.99Å; A566-C570 VanDerWaalsContact O-SG 3.33Å; N567-C570 PolarHBondContact O-N 2.91Å; C570-Q572 VanDerWaalsContact C-N 3.3Å; C570-Q572 PolarHBondContact O-N 2.94Å; C570-M573 PolarHBondContact O-N 2.68Å; C570-E574 WeakPolarHBondContact O-CB 3.21Å; C570-E574 PolarHBondContact O-N 3.1Å |
| 571 | R | 67.2 | Low | 63.6 | Low | 173 Ų | 173 | 87.3 Ų | 87.3 | 65% | 0.653 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -61 | -37.2 | 176.9 | -75.8 | 176.6 | 177.8 | 173.1 | 0.1 | 112.5 | N567 V568 V569 K575 | N567-R571 WeakPolarHBondContact O-CB 3.28Å; N567-R571 VanDerWaalsContact O-CG 3.29Å; N567-R571 WeakPolarHBondContact O-CG 3.4Å; N567-R571 PolarHBondContact O-N 2.93Å; V568-R571 PolarHBondContact O-N 3.08Å; V569-R571 PolarHBondContact O-N 3.19Å; R571-K575 VanDerWaalsContact O-CG 3.31Å; R571-K575 WeakPolarHBondContact O-CG 3.45Å; R571-K575 PolarHBondContact O-N 2.99Å; R571-K575 VanDerWaalsContact O-N 3.09Å |
| 572 | Q | 66.8 | Low | 61.5 | Low | 57.5 Ų | 57.5 | 93.5 Ų | 93.5 | 27% | 0.269 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -72 | -41.5 | 176.2 | -79.8 | -169.3 | 6.1 | 0 | 0 | 113 | F477 V568 V569 C570 E574 K575 R576 | F477-Q572 VanDerWaalsContact CD1-NE2 3.31Å; F477-Q572 VanDerWaalsContact CE1-OE1 3.24Å; V568-Q572 WeakPolarHBondContact O-CG 3.39Å; V568-Q572 PolarHBondContact O-N 3.02Å; V569-Q572 PolarHBondContact O-N 3.06Å; C570-Q572 VanDerWaalsContact C-N 3.3Å; C570-Q572 PolarHBondContact O-N 2.94Å; Q572-E574 VanDerWaalsContact C-N 3.32Å; Q572-K575 PolarHBondContact O-N 3.37Å; Q572-R576 PolarHBondContact O-N 3.18Å |
| 573 | M | 57.1 | Low | 59.4 | Low | 120 Ų | 120 | 95.5 Ų | 95.5 | 59% | 0.591 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -59.7 | -44.6 | 173.7 | -83.1 | -102 | -168.7 | 0 | 0 | 110.6 | V569 C570 R576 L577 | V569-M573 HydrophobicContact CG1-CG 4.37Å; V569-M573 WeakPolarHBondContact O-CB 3.32Å; V569-M573 WeakPolarHBondContact O-CG 3.26Å; V569-M573 PolarHBondContact O-N 3.37Å; C570-M573 PolarHBondContact O-N 2.68Å; M573-R576 CarbonylContact O-C 3.45Å; M573-R576 PolarHBondContact O-N 3.21Å; M573-R576 VanDerWaalsContact O-N 3.14Å; M573-L577 WeakPolarHBondContact O-CB 3.44Å; M573-L577 PolarHBondContact O-N 3.01Å |
| 574 | E | 58.4 | Low | 57.7 | Low | 122 Ų | 122 | 103 Ų | 103 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.1 | -47.6 | 176.7 | -167.3 | 173.5 | -160 | 0 | 0 | 111.3 | C570 Q572 R576 L577 I578 | C570-E574 WeakPolarHBondContact O-CB 3.21Å; C570-E574 PolarHBondContact O-N 3.1Å; Q572-E574 VanDerWaalsContact C-N 3.32Å; E574-R576 VanDerWaalsContact C-N 3.28Å; E574-R576 PolarHBondContact O-N 3.17Å; E574-L577 PolarHBondContact O-N 3.04Å; E574-I578 HydrophobicContact CG-CD1 3.96Å; E574-I578 WeakPolarHBondContact O-CB 3.31Å; E574-I578 WeakPolarHBondContact O-CD1 3.36Å; E574-I578 WeakPolarHBondContact O-CG1 3.29Å; E574-I578 PolarHBondContact O-N 3.24Å |
| 575 | K | 59.4 | Low | 56 | Low | 144 Ų | 144 | 109.8 Ų | 109.8 | 63% | 0.626 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -57.4 | -37.5 | 173.1 | -75.8 | 177.5 | -178.8 | -177.3 | 0 | 113 | R571 Q572 R579 | R571-K575 VanDerWaalsContact O-CG 3.31Å; R571-K575 WeakPolarHBondContact O-CG 3.45Å; R571-K575 PolarHBondContact O-N 2.99Å; R571-K575 VanDerWaalsContact O-N 3.09Å; Q572-K575 PolarHBondContact O-N 3.37Å; K575-R579 PolarHBondContact O-N 3Å |
| 576 | R | 54.5 | Low | 54.4 | Low | 171.5 Ų | 171.5 | 112.5 Ų | 112.5 | 65% | 0.647 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -76.4 | -40.2 | 178.1 | -77.7 | -170.8 | 176.2 | -175.1 | 1.8 | 113.1 | Q572 M573 E574 I578 R579 A580 | Q572-R576 PolarHBondContact O-N 3.18Å; M573-R576 CarbonylContact O-C 3.45Å; M573-R576 PolarHBondContact O-N 3.21Å; M573-R576 VanDerWaalsContact O-N 3.14Å; E574-R576 VanDerWaalsContact C-N 3.28Å; E574-R576 PolarHBondContact O-N 3.17Å; R576-I578 VanDerWaalsContact C-N 3.29Å; R576-I578 PolarHBondContact O-N 3.19Å; R576-R579 PolarHBondContact O-N 3.09Å; R576-A580 WeakPolarHBondContact O-CB 3.36Å; R576-A580 PolarHBondContact O-N 3.12Å |
| 577 | L | 50.8 | Low | 53.1 | Low | 106.5 Ų | 106.5 | 115.8 Ų | 115.8 | 56% | 0.558 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.7 | -37 | 174.1 | -96.5 | 147.2 | 0 | 0 | 0 | 111.5 | M573 E574 K581 | M573-L577 WeakPolarHBondContact O-CB 3.44Å; M573-L577 PolarHBondContact O-N 3.01Å; E574-L577 PolarHBondContact O-N 3.04Å; L577-K581 PolarHBondContact O-N 2.9Å; L577-K581 VanDerWaalsContact O-N 3.15Å |
| 578 | I | 50.6 | Low | 51.8 | Low | 90 Ų | 90 | 115.3 Ų | 115.3 | 46% | 0.462 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.8 | -42.7 | 174.2 | -66.2 | 164.5 | 0 | 0 | 0 | 110.7 | E574 R576 K581 F582 | E574-I578 HydrophobicContact CG-CD1 3.96Å; E574-I578 WeakPolarHBondContact O-CB 3.31Å; E574-I578 WeakPolarHBondContact O-CD1 3.36Å; E574-I578 WeakPolarHBondContact O-CG1 3.29Å; E574-I578 PolarHBondContact O-N 3.24Å; R576-I578 VanDerWaalsContact C-N 3.29Å; R576-I578 PolarHBondContact O-N 3.19Å; I578-K581 PolarHBondContact O-N 3.21Å; I578-F582 HydrophobicContact CG2-CD2 4.44Å; I578-F582 WeakPolarHBondContact O-CD2 3.4Å; I578-F582 PolarHBondContact O-N 2.76Å |
| 579 | R | 47.6 | Very low | 50.6 | Low | 202 Ų | 202 | 117.1 Ų | 117.1 | 76% | 0.762 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.4 | -37.4 | 174.7 | -76.6 | -177 | -168.4 | 177.5 | 2.2 | 113.5 | K575 R576 K581 F582 G583 | K575-R579 PolarHBondContact O-N 3Å; R576-R579 PolarHBondContact O-N 3.09Å; R579-K581 PolarHBondContact O-N 2.88Å; R579-F582 PolarHBondContact O-N 3.34Å; R579-G583 PolarHBondContact O-N 3.17Å |
| 580 | A | 50.1 | Low | 49.2 | Very low | 79 Ų | 79 | 123.8 Ų | 123.8 | 65% | 0.653 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.3 | -22.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | R576 | R576-A580 WeakPolarHBondContact O-CB 3.36Å; R576-A580 PolarHBondContact O-N 3.12Å |
| 581 | K | 44.2 | Very low | 48.3 | Very low | 139 Ų | 139 | 124.3 Ų | 124.3 | 60% | 0.604 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -18.4 | 175 | -84.5 | -179 | 174.5 | -179.5 | 0 | 114.5 | L577 I578 R579 | L577-K581 PolarHBondContact O-N 2.9Å; L577-K581 VanDerWaalsContact O-N 3.15Å; I578-K581 PolarHBondContact O-N 3.21Å; R579-K581 PolarHBondContact O-N 2.88Å |
| 582 | F | 39.5 | Very low | 47.4 | Very low | 186.5 Ų | 186.5 | 125 Ų | 125 | 82% | 0.818 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -115.9 | 5.6 | -175.7 | -77.4 | -76.2 | 0 | 0 | 0 | 114.7 | I578 R579 | I578-F582 HydrophobicContact CG2-CD2 4.44Å; I578-F582 WeakPolarHBondContact O-CD2 3.4Å; I578-F582 PolarHBondContact O-N 2.76Å; R579-F582 PolarHBondContact O-N 3.34Å |
| 583 | G | 38.7 | Very low | 46.5 | Very low | 50 Ų | 50 | 127.1 Ų | 127.1 | 52% | 0.515 | 65% | 0.647 | S | S | . | * | trans | -118.4 | 99.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R579 D585 | R579-G583 PolarHBondContact O-N 3.17Å; G583-D585 VanDerWaalsContact C-N 3.27Å; G583-D585 PolarHBondContact O-N 3.41Å | ||
| 584 | H | 37.1 | Very low | 46.2 | Very low | 187.5 Ų | 187.5 | 126 Ų | 126 | 87% | 0.868 | 64% | 0.643 | S | S | * | * | trans | -69.7 | 113.8 | 150.5 | -122 | -85.8 | 0 | 0 | 0 | 106.2 | ||||
| 585 | D | 35.4 | Very low | 46.3 | Very low | 159 Ų | 159 | 123 Ų | 123 | 85% | 0.85 | 64% | 0.635 | S | S | * | * | S | Bend | trans | 129.2 | 109 | 167.9 | -69.4 | -23.6 | 0 | 0 | 0 | 113.7 | G583 | G583-D585 VanDerWaalsContact C-N 3.27Å; G583-D585 PolarHBondContact O-N 3.41Å |
| 586 | G | 39.7 | Very low | 46.4 | Very low | 77 Ų | 77 | 119.2 Ų | 119.2 | 79% | 0.794 | 63% | 0.627 | S | S | * | * | S | Bend | trans | 134.1 | 5.2 | 156.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||
| 587 | S | 41.3 | Very low | 47.2 | Very low | 94 Ų | 94 | 111.6 Ų | 111.6 | 66% | 0.657 | 60% | 0.6 | S | S | * | * | trans | -118 | 27.2 | -175.3 | 126.3 | 0 | 0 | 0 | 0 | 115.3 | S589 | S587-S589 PolarHBondContact O-N 2.95Š| ||
| 588 | V | 41.6 | Very low | 48.5 | Very low | 90 Ų | 90 | 108 Ų | 108 | 55% | 0.545 | 58% | 0.584 | S | S | . | * | trans | -83.8 | -4 | -176.7 | -174.3 | 0 | 0 | 0 | 0 | 113.7 | T591 | V588-T591 PolarHBondContact O-OG1 2.79Š| ||
| 589 | S | 45.4 | Very low | 50.1 | Low | 76 Ų | 76 | 106.9 Ų | 106.9 | 53% | 0.531 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -83.8 | -34.2 | -173.9 | -169.7 | 0 | 0 | 0 | 0 | 114.8 | S587 | S587-S589 PolarHBondContact O-N 2.95Å |
| 590 | W | 39.6 | Very low | 51.8 | Low | 195 Ų | 195 | 101.2 Ų | 101.2 | 74% | 0.739 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -84.7 | -30.1 | -174.1 | -70.2 | 97.2 | 0 | 0 | 0 | 112.7 | L593 L594 | W590-L593 PolarHBondContact O-N 2.82Å; W590-L594 PolarHBondContact O-N 2.86Å; W590-L594 VanDerWaalsContact O-N 3.13Å |
| 591 | T | 49.7 | Very low | 53.6 | Low | 91 Ų | 91 | 98.8 Ų | 98.8 | 56% | 0.558 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -70.1 | -32.6 | 180 | 48.8 | 0 | 0 | 0 | 0 | 112.9 | V588 S595 | V588-T591 PolarHBondContact O-OG1 2.79Å; T591-S595 WeakPolarHBondContact O-CB 3.34Å; T591-S595 PolarHBondContact O-N 2.77Å |
| 592 | R | 48.9 | Very low | 55.6 | Low | 188 Ų | 188 | 95.8 Ų | 95.8 | 71% | 0.709 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -74.2 | -28.6 | 174.2 | -75.5 | -174.2 | -171.7 | 169.5 | 3.1 | 114.2 | S595 | R592-S595 WeakPolarHBondContact CA-OG 3.27Å; R592-S595 PolarHBondContact O-OG 2.77Å |
| 593 | L | 46.2 | Very low | 57.9 | Low | 101 Ų | 101 | 88.1 Ų | 88.1 | 53% | 0.529 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -81.4 | -29.8 | -178.7 | -134.7 | 145.9 | 0 | 0 | 0 | 111.3 | W590 T597 | W590-L593 PolarHBondContact O-N 2.82Å; L593-T597 VanDerWaalsContact O-CG2 3.32Å; L593-T597 WeakPolarHBondContact O-CG2 3.5Å; L593-T597 PolarHBondContact O-OG1 3.13Å |
| 594 | L | 52.6 | Low | 60.1 | Low | 96.5 Ų | 96.5 | 86.9 Ų | 86.9 | 51% | 0.505 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -81.5 | -16.8 | 173.4 | -76.4 | 161 | 0 | 0 | 0 | 113.3 | W590 S596 T597 K635 | W590-L594 PolarHBondContact O-N 2.86Å; W590-L594 VanDerWaalsContact O-N 3.13Å; L594-S596 VanDerWaalsContact C-N 3.3Å; L594-S596 PolarHBondContact O-N 3.24Å; L594-T597 WeakPolarHBondContact CA-OG1 3.3Å; L594-K635 WeakPolarHBondContact O-CE 3.33Å; L594-K635 PolarHBondContact O-NZ 3.1Å |
| 595 | S | 58.6 | Low | 62.4 | Low | 58.5 Ų | 58.5 | 86.7 Ų | 86.7 | 41% | 0.409 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -20.9 | -172.5 | 56.1 | 0 | 0 | 0 | 0 | 114.9 | T591 R592 K635 | T591-S595 WeakPolarHBondContact O-CB 3.34Å; T591-S595 PolarHBondContact O-N 2.77Å; R592-S595 WeakPolarHBondContact CA-OG 3.27Å; R592-S595 PolarHBondContact O-OG 2.77Å; S595-K635 VanDerWaalsContact C-CE 3.46Å; S595-K635 WeakPolarHBondContact O-CE 3.24Å |
| 596 | S | 62.8 | Low | 64.9 | Low | 65 Ų | 65 | 79.7 Ų | 79.7 | 46% | 0.455 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122 | 6.7 | -177 | 65.3 | 0 | 0 | 0 | 0 | 115 | L594 | L594-S596 VanDerWaalsContact C-N 3.3Å; L594-S596 PolarHBondContact O-N 3.24Å |
| 597 | T | 70.4 | Confident | 67.2 | Low | 12 Ų | 12 | 77.4 Ų | 77.4 | 7% | 0.074 | 40% | 0.398 | C | S | . | . | trans | -110.8 | 132.5 | -174.9 | 44.8 | 0 | 0 | 0 | 0 | 110.8 | L547 K548 L593 L594 K635 | L547-T597 HydrophobicContact CB-CG2 3.65Å; L547-T597 VanDerWaalsContact CB-CG2 3.49Å; L547-T597 WeakPolarHBondContact O-CG2 3.37Å; K548-T597 WeakPolarHBondContact O-CA 3.43Å; L593-T597 VanDerWaalsContact O-CG2 3.32Å; L593-T597 WeakPolarHBondContact O-CG2 3.5Å; L593-T597 PolarHBondContact O-OG1 3.13Å; L594-T597 WeakPolarHBondContact CA-OG1 3.3Å; T597-K635 PolarHBondContact O-NZ 3.07Å | ||
| 598 | S | 79.6 | Confident | 69.3 | Low | 31.5 Ų | 31.5 | 74.9 Ų | 74.9 | 22% | 0.22 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 143 | 165 | 53.5 | 0 | 0 | 0 | 0 | 109.7 | K548 L549 V550 A629 | K548-S598 PolarHBondContact O-N 2.83Å; K548-S598 PolarHBondContact O-OG 2.72Å; L549-S598 CarbonylContact C-O 3.56Å; L549-S598 WeakPolarHBondContact CA-O 3.38Å; L549-S598 VanDerWaalsContact CD1-OG 3.22Å; L549-S598 WeakPolarHBondContact CD1-OG 3.15Å; V550-S598 PolarHBondContact N-O 2.79Å; S598-A629 VanDerWaalsContact CA-O 3.24Å; S598-A629 WeakPolarHBondContact CA-O 3.25Å |
| 599 | F | 82.6 | Confident | 71.3 | Confident | 66.5 Ų | 66.5 | 76.2 Ų | 76.2 | 29% | 0.292 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 125.1 | -178.5 | 174.6 | -94.4 | 0 | 0 | 0 | 109.1 | V550 L601 V627 S628 A629 | V550-F599 HydrophobicContact CB-CD2 3.96Å; V550-F599 HydrophobicContact CG1-CD2 3.79Å; V550-F599 HydrophobicContact CG1-CE2 4.03Å; V550-F599 CarbonylContact O-C 3.57Å; V550-F599 WeakPolarHBondContact O-CA 3.3Å; F599-L601 HydrophobicContact CD1-CB 4.47Å; F599-L601 HydrophobicContact CE1-CB 3.56Å; F599-L601 HydrophobicContact CE1-CD2 4.44Å; F599-L601 HydrophobicContact CZ-CB 3.77Å; F599-L601 HydrophobicContact CZ-CD2 4.48Å; F599-V627 HydrophobicContact CE1-CG1 4.49Å; F599-S628 CarbonylContact O-C 3.52Å; F599-S628 VanDerWaalsContact O-CA 3.3Å; F599-S628 WeakPolarHBondContact O-CA 3.42Å; F599-A629 HydrophobicContact CB-CB 4.19Å; F599-A629 PolarHBondContact N-O 3.07Å; F599-A629 PolarHBondContact O-N 3.1Å |
| 600 | E | 84.4 | Confident | 72.9 | Confident | 82 Ų | 82 | 75 Ų | 75 | 38% | 0.383 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 122.8 | 174.2 | -70.8 | -174.6 | 175.7 | 0 | 0 | 109.3 | L549 V550 Q551 L552 V627 | L549-E600 HydrophobicContact CD1-CG 4.18Å; V550-E600 PolarHBondContact O-N 2.68Å; Q551-E600 CarbonylContact C-O 3.53Å; Q551-E600 WeakPolarHBondContact CA-O 3.29Å; Q551-E600 HydrophobicContact CB-CB 4.28Å; Q551-E600 HydrophobicContact CG-CB 4.36Å; L552-E600 PolarHBondContact N-O 3Å; E600-V627 CarbonylContact C-O 3.55Å; E600-V627 WeakPolarHBondContact CA-O 3.19Å |
| 601 | L | 87 | Confident | 74.6 | Confident | 29.3333 Ų | 29.3333 | 66.9 Ų | 66.9 | 15% | 0.154 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 124.3 | 174.4 | 167.5 | 70.1 | 0 | 0 | 0 | 107.5 | L552 F599 I603 S626 V627 | L552-L601 HydrophobicContact CB-CD1 3.84Å; L552-L601 HydrophobicContact CD2-CD1 3.44Å; L552-L601 HydrophobicContact CG-CD1 3.95Å; L552-L601 CarbonylContact O-C 3.52Å; L552-L601 WeakPolarHBondContact O-CA 3.32Å; F599-L601 HydrophobicContact CD1-CB 4.47Å; F599-L601 HydrophobicContact CE1-CB 3.56Å; F599-L601 HydrophobicContact CE1-CD2 4.44Å; F599-L601 HydrophobicContact CZ-CB 3.77Å; F599-L601 HydrophobicContact CZ-CD2 4.48Å; L601-I603 HydrophobicContact CD1-CD1 4.11Å; L601-I603 HydrophobicContact CD1-CG1 3.9Å; L601-I603 HydrophobicContact CD2-CD1 4.28Å; L601-I603 HydrophobicContact CD2-CG1 4.5Å; L601-I603 HydrophobicContact CG-CD1 4.3Å; L601-I603 HydrophobicContact CG-CG1 4.05Å; L601-S626 CarbonylContact O-C 3.55Å; L601-S626 VanDerWaalsContact O-CA 3.23Å; L601-S626 WeakPolarHBondContact O-CA 3.26Å; L601-V627 HydrophobicContact CB-CB 4.08Å; L601-V627 HydrophobicContact CD2-CB 4.31Å; L601-V627 HydrophobicContact CD2-CG2 4.07Å; L601-V627 PolarHBondContact N-O 3.11Å; L601-V627 PolarHBondContact O-N 3.17Å |
| 602 | M | 86.8 | Confident | 75.5 | Confident | 74.6667 Ų | 74.6667 | 65.3 Ų | 65.3 | 37% | 0.368 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 115 | 178.6 | -69 | -87.3 | -85.1 | 0 | 0 | 109.3 | L552 E553 C554 H624 L625 S626 | L552-M602 PolarHBondContact O-N 2.96Å; E553-M602 CarbonylContact C-O 3.52Å; E553-M602 VanDerWaalsContact CA-O 3.27Å; E553-M602 WeakPolarHBondContact CA-O 3.37Å; E553-M602 HydrophobicContact CG-CB 4.35Å; C554-M602 PolarHBondContact N-O 2.91Å; M602-H624 WeakPolarHBondContact CE-CE1 3.48Å; M602-H624 WeakPolarHBondContact CE-NE2 3.21Å; M602-H624 PolarHBondContact SD-NE2 2.77Å; M602-L625 CarbonylContact C-O 3.55Å; M602-L625 WeakPolarHBondContact CA-O 3.38Å; M602-S626 WeakPolarHBondContact SD-CB 3.35Å |
| 603 | I | 87.1 | Confident | 76.1 | Confident | 26.3333 Ų | 26.3333 | 60.9 Ų | 60.9 | 14% | 0.135 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 110.8 | 178.9 | -52.2 | -165.8 | 0 | 0 | 0 | 108.9 | C554 P557 L601 P606 H624 L625 | C554-I603 HydrophobicContact CB-CB 4.24Å; C554-I603 HydrophobicContact CB-CD1 4.25Å; C554-I603 HydrophobicContact CB-CG1 3.91Å; C554-I603 HydrophobicContact CB-CG2 4.04Å; C554-I603 CarbonylContact O-C 3.49Å; C554-I603 WeakPolarHBondContact O-CA 3.36Å; P557-I603 HydrophobicContact CG-CG2 3.31Å; L601-I603 HydrophobicContact CD1-CD1 4.11Å; L601-I603 HydrophobicContact CD1-CG1 3.9Å; L601-I603 HydrophobicContact CD2-CD1 4.28Å; L601-I603 HydrophobicContact CD2-CG1 4.5Å; L601-I603 HydrophobicContact CG-CD1 4.3Å; L601-I603 HydrophobicContact CG-CG1 4.05Å; I603-P606 HydrophobicContact CB-CG 4.34Å; I603-P606 HydrophobicContact CG2-CB 3.88Å; I603-P606 HydrophobicContact CG2-CG 3.9Å; I603-H624 CarbonylContact O-C 3.52Å; I603-H624 WeakPolarHBondContact O-CA 3.42Å; I603-L625 HydrophobicContact CB-CB 4.08Å; I603-L625 HydrophobicContact CB-CD2 4.22Å; I603-L625 HydrophobicContact CB-CG 4.28Å; I603-L625 HydrophobicContact CD1-CD2 3.82Å; I603-L625 HydrophobicContact CD1-CG 4.36Å; I603-L625 HydrophobicContact CG1-CD2 4.18Å; I603-L625 HydrophobicContact CG1-CG 4.42Å; I603-L625 PolarHBondContact N-O 3.05Å; I603-L625 PolarHBondContact O-N 2.94Å |
| 604 | S | 86.3 | Confident | 76.6 | Confident | 24 Ų | 24 | 59.2 Ų | 59.2 | 17% | 0.168 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 131.5 | 179 | -61.9 | 0 | 0 | 0 | 0 | 110.7 | C554 S556 H624 | C554-S604 PolarHBondContact O-N 2.84Å; S556-S604 VanDerWaalsContact CA-O 3.31Å; S556-S604 WeakPolarHBondContact CA-O 3.34Å; S556-S604 PolarHBondContact N-O 3.32Å; S604-H624 PolarHBondContact OG-CE1 2.8Å; S604-H624 PolarHBondContact OG-ND1 3.06Å |
| 605 | R | 85.4 | Confident | 77 | Confident | 184 Ų | 184 | 61.4 Ų | 61.4 | 69% | 0.694 | 33% | 0.332 | S | S | * | . | S | Bend | trans | 53.4 | 48.8 | 177.7 | -59.1 | -177.9 | -145.8 | 153.8 | -0.5 | 116 | S556 L622 S623 | S556-R605 WeakPolarHBondContact CA-O 3.42Å; R605-L622 CarbonylContact C-O 3.57Å; R605-L622 VanDerWaalsContact CA-O 3.3Å; R605-L622 WeakPolarHBondContact CA-O 3.34Å; R605-S623 PolarHBondContact N-O 2.89Å |
| 606 | P | 87.9 | Confident | 77.4 | Confident | 12.3333 Ų | 12.3333 | 64 Ų | 64 | 8% | 0.08 | 33% | 0.333 | C | S | . | . | trans | -67.1 | 138.3 | 175.1 | 22 | -23.1 | 0 | 0 | 0 | 111.7 | P557 I603 L622 | P557-P606 HydrophobicContact CG-CB 3.81Å; P557-P606 WeakPolarHBondContact O-CA 3.43Å; I603-P606 HydrophobicContact CB-CG 4.34Å; I603-P606 HydrophobicContact CG2-CB 3.88Å; I603-P606 HydrophobicContact CG2-CG 3.9Å; P606-L622 HydrophobicContact CB-CB 4.27Å; P606-L622 HydrophobicContact CB-CD1 4.45Å; P606-L622 VanDerWaalsContact CD-O 3.29Å; P606-L622 WeakPolarHBondContact CD-O 3.29Å; P606-L622 HydrophobicContact CG-CB 3.64Å; P606-L622 HydrophobicContact CG-CD1 3.79Å; P606-L622 HydrophobicContact CG-CG 4.32Å; P606-L622 PolarHBondContact O-N 3.04Å; P606-L622 VanDerWaalsContact O-N 3.16Å | ||
| 607 | L | 86.9 | Confident | 77.8 | Confident | 28.3333 Ų | 28.3333 | 64.4 Ų | 64.4 | 15% | 0.148 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 118.3 | 173.4 | 174.3 | 66 | 0 | 0 | 0 | 109.3 | P557 V558 A559 R609 L620 M621 | P557-L607 PolarHBondContact O-N 3.28Å; V558-L607 CarbonylContact C-O 3.54Å; V558-L607 WeakPolarHBondContact CA-O 3.36Å; V558-L607 HydrophobicContact CG1-CD2 4.42Å; V558-L607 HydrophobicContact CG2-CB 4.45Å; V558-L607 HydrophobicContact CG2-CD2 4.46Å; A559-L607 PolarHBondContact N-O 2.96Å; L607-R609 HydrophobicContact CD1-CG 4.45Å; L607-R609 HydrophobicContact CG-CG 4.33Å; L607-L620 CarbonylContact C-O 3.42Å; L607-L620 WeakPolarHBondContact CA-O 3.41Å; L607-M621 HydrophobicContact CD1-CG 3.57Å; L607-M621 HydrophobicContact CD1-SD 4.29Å |
| 608 | V | 85 | Confident | 78.1 | Confident | 40.6667 Ų | 40.6667 | 65.7 Ų | 65.7 | 25% | 0.246 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 122.3 | 175.5 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | A559 F561 Q619 L620 | A559-V608 HydrophobicContact CB-CG2 4.35Å; A559-V608 CarbonylContact O-C 3.55Å; A559-V608 VanDerWaalsContact O-CA 3.28Å; A559-V608 WeakPolarHBondContact O-CA 3.35Å; F561-V608 HydrophobicContact CD1-CG1 4.32Å; F561-V608 HydrophobicContact CE1-CG1 3.47Å; F561-V608 VanDerWaalsContact CE1-CG1 3.44Å; F561-V608 HydrophobicContact CZ-CG1 4.21Å; V608-Q619 CarbonylContact O-C 3.58Å; V608-Q619 WeakPolarHBondContact O-CA 3.41Å; V608-L620 HydrophobicContact CB-CB 4.15Å; V608-L620 HydrophobicContact CB-CD2 4.28Å; V608-L620 HydrophobicContact CG2-CD2 4.16Å; V608-L620 PolarHBondContact N-O 3.25Å; V608-L620 PolarHBondContact O-N 3.09Å |
| 609 | R | 83.3 | Confident | 78.3 | Confident | 118 Ų | 118 | 67.3 Ų | 67.3 | 45% | 0.445 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 126 | 177 | -62.3 | -177.7 | -178.6 | 146.3 | -1 | 110 | A559 S560 F561 L607 L618 Q619 | A559-R609 PolarHBondContact O-N 3.11Å; S560-R609 VanDerWaalsContact CA-O 3.31Å; S560-R609 WeakPolarHBondContact CA-O 3.43Å; F561-R609 PolarHBondContact N-O 2.75Å; F561-R609 VanDerWaalsContact N-O 3.11Å; L607-R609 HydrophobicContact CD1-CG 4.45Å; L607-R609 HydrophobicContact CG-CG 4.33Å; R609-L618 CarbonylContact C-O 3.58Å; R609-L618 WeakPolarHBondContact CA-O 2.86Å; R609-Q619 HydrophobicContact CG-CG 4.37Å |
| 610 | F | 80.7 | Confident | 78.3 | Confident | 50.6667 Ų | 50.6667 | 66.4 Ų | 66.4 | 22% | 0.222 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 119.7 | 176.3 | -177.1 | -120.7 | 0 | 0 | 0 | 110.2 | F561 A566 I612 N617 L618 | F561-F610 AromaticContact CD2-CD2 3.49Å; F561-F610 HydrophobicContact CD2-CD2 3.49Å; F561-F610 VanDerWaalsContact CD2-CD2 3.47Å; F561-F610 AromaticContact CD2-CE2 3.8Å; F561-F610 HydrophobicContact CD2-CE2 3.8Å; F561-F610 HydrophobicContact CE2-CB 4.5Å; F561-F610 AromaticContact CE2-CD2 3.17Å; F561-F610 HydrophobicContact CE2-CD2 3.17Å; F561-F610 AromaticContact CE2-CE2 3.55Å; F561-F610 HydrophobicContact CE2-CE2 3.55Å; F561-F610 HydrophobicContact CE2-CG 4.18Å; F561-F610 HydrophobicContact CG-CD2 4.47Å; F561-F610 HydrophobicContact CZ-CB 4.48Å; F561-F610 AromaticContact CZ-CD2 3.96Å; F561-F610 HydrophobicContact CZ-CD2 3.96Å; A566-F610 HydrophobicContact CB-CE2 4.29Å; F610-I612 HydrophobicContact CD1-CD1 4.02Å; F610-I612 HydrophobicContact CD1-CG1 3.67Å; F610-I612 HydrophobicContact CE1-CD1 3.7Å; F610-I612 HydrophobicContact CE1-CG1 3.29Å; F610-I612 HydrophobicContact CZ-CG1 4.07Å; F610-N617 CarbonylContact O-C 3.4Å; F610-N617 WeakPolarHBondContact O-CA 3.5Å; F610-L618 HydrophobicContact CB-CB 4.17Å; F610-L618 HydrophobicContact CD1-CB 4.43Å; F610-L618 HydrophobicContact CD1-CD1 4.06Å; F610-L618 PolarHBondContact N-O 2.96Å; F610-L618 PolarHBondContact O-N 2.96Å |
| 611 | S | 74.1 | Confident | 78.4 | Confident | 24.3333 Ų | 24.3333 | 66.3 Ų | 66.3 | 17% | 0.17 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 118.3 | 178.2 | 54 | 0 | 0 | 0 | 0 | 110.8 | Y527 F561 S563 N617 | Y527-S611 PolarHBondContact OH-OG 2.98Å; F561-S611 PolarHBondContact O-N 3.25Å; S563-S611 PolarHBondContact N-O 3.14Å; S563-S611 VanDerWaalsContact N-O 3.11Å; S611-N617 WeakPolarHBondContact CB-OD1 3.25Å |
| 612 | I | 68.7 | Low | 78.3 | Confident | 58.6667 Ų | 58.6667 | 65.7 Ų | 65.7 | 30% | 0.301 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 139 | 175.8 | -59 | 170.1 | 0 | 0 | 0 | 108.7 | F610 G614 Q615 R616 L618 | F610-I612 HydrophobicContact CD1-CD1 4.02Å; F610-I612 HydrophobicContact CD1-CG1 3.67Å; F610-I612 HydrophobicContact CE1-CD1 3.7Å; F610-I612 HydrophobicContact CE1-CG1 3.29Å; F610-I612 HydrophobicContact CZ-CG1 4.07Å; I612-G614 PolarHBondContact O-N 3.06Å; I612-G614 VanDerWaalsContact O-N 3.1Å; I612-Q615 PolarHBondContact O-N 3.28Å; I612-R616 HydrophobicContact CB-CB 4.29Å; I612-R616 HydrophobicContact CD1-CB 4.43Å; I612-R616 PolarHBondContact N-O 3.05Å; I612-R616 VanDerWaalsContact N-O 3.14Å; I612-L618 HydrophobicContact CD1-CD1 4.18Å; I612-L618 HydrophobicContact CD1-CG 4.44Å |
| 613 | S | 61.5 | Low | 78.2 | Confident | 95.3333 Ų | 95.3333 | 63.8 Ų | 63.8 | 67% | 0.667 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 111.4 | 172.6 | 52.7 | 0 | 0 | 0 | 0 | 110.4 | ||
| 614 | G | 57.4 | Low | 78.2 | Confident | 65.3333 Ų | 65.3333 | 66 Ų | 66 | 67% | 0.674 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 121.2 | 24.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | I612 R616 | I612-G614 PolarHBondContact O-N 3.06Å; I612-G614 VanDerWaalsContact O-N 3.1Å; G614-R616 PolarHBondContact O-N 3.2Å |
| 615 | Q | 60.8 | Low | 78.2 | Confident | 141.333 Ų | 141.333 | 66.5 Ų | 66.5 | 66% | 0.66 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 15.8 | 176.5 | -54.3 | -170.9 | -21.2 | 0 | 0 | 117.1 | I612 K650 | I612-Q615 PolarHBondContact O-N 3.28Å; Q615-K650 HydrophobicContact CB-CD 4.33Å; Q615-K650 WeakPolarHBondContact O-CD 3.42Å; Q615-K650 WeakPolarHBondContact O-CE 3.33Å |
| 616 | R | 66.7 | Low | 78.2 | Confident | 113.333 Ų | 113.333 | 59 Ų | 59 | 43% | 0.428 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 117.6 | 170.3 | -69.4 | -179.2 | 178.5 | -150.7 | 8.9 | 109.7 | I612 G614 E648 | I612-R616 HydrophobicContact CB-CB 4.29Å; I612-R616 HydrophobicContact CD1-CB 4.43Å; I612-R616 PolarHBondContact N-O 3.05Å; I612-R616 VanDerWaalsContact N-O 3.14Å; G614-R616 PolarHBondContact O-N 3.2Å; R616-E648 VanDerWaalsContact CD-OE1 3.31Å; R616-E648 WeakPolarHBondContact CD-OE1 3.39Å; R616-E648 VanDerWaalsContact CG-OE1 3.26Å; R616-E648 WeakPolarHBondContact CG-OE1 3.45Å; R616-E648 IonicContact CZ-OE1 3.65Å; R616-E648 IonicContact NE-OE1 2.9Å; R616-E648 IonicContact NH1-OE1 2.94Å; R616-E648 PolarHBondContact NH1-OE1 2.72Å |
| 617 | N | 72.1 | Confident | 78.2 | Confident | 73 Ų | 73 | 59.6 Ų | 59.6 | 39% | 0.39 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 123 | 173.7 | -62.5 | -34.9 | 0 | 0 | 0 | 109.4 | F610 S611 S649 | F610-N617 CarbonylContact O-C 3.4Å; F610-N617 WeakPolarHBondContact O-CA 3.5Å; S611-N617 WeakPolarHBondContact CB-OD1 3.25Å; N617-S649 WeakPolarHBondContact CB-OG 3.39Å; N617-S649 PolarHBondContact O-N 2.87Å; N617-S649 VanDerWaalsContact O-N 3.14Å; N617-S649 PolarHBondContact O-OG 3.08Å; N617-S649 VanDerWaalsContact O-OG 3.06Å |
| 618 | L | 76.1 | Confident | 78.1 | Confident | 40.3333 Ų | 40.3333 | 59.9 Ų | 59.9 | 21% | 0.211 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 129.7 | 172.6 | -85.6 | 159.7 | 0 | 0 | 0 | 108.7 | R609 F610 I612 L646 V647 E648 | R609-L618 CarbonylContact C-O 3.58Å; R609-L618 WeakPolarHBondContact CA-O 2.86Å; F610-L618 HydrophobicContact CB-CB 4.17Å; F610-L618 HydrophobicContact CD1-CB 4.43Å; F610-L618 HydrophobicContact CD1-CD1 4.06Å; F610-L618 PolarHBondContact N-O 2.96Å; F610-L618 PolarHBondContact O-N 2.96Å; I612-L618 HydrophobicContact CD1-CD1 4.18Å; I612-L618 HydrophobicContact CD1-CG 4.44Å; L618-L646 HydrophobicContact CB-CD1 4.2Å; L618-L646 HydrophobicContact CD2-CD1 3.93Å; L618-L646 HydrophobicContact CD2-CD2 3.78Å; L618-L646 HydrophobicContact CD2-CG 3.92Å; L618-V647 CarbonylContact C-O 3.56Å; L618-V647 WeakPolarHBondContact CA-O 3.41Å; L618-E648 HydrophobicContact CD2-CB 4Å; L618-E648 HydrophobicContact CD2-CG 3.87Å |
| 619 | Q | 82.6 | Confident | 77.9 | Confident | 65.6667 Ų | 65.6667 | 58.8 Ų | 58.8 | 31% | 0.307 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 121.6 | 176 | -58 | -170.3 | 13.2 | 0 | 0 | 109.2 | V608 R609 L646 V647 | V608-Q619 CarbonylContact O-C 3.58Å; V608-Q619 WeakPolarHBondContact O-CA 3.41Å; R609-Q619 HydrophobicContact CG-CG 4.37Å; Q619-L646 CarbonylContact O-C 3.21Å; Q619-L646 VanDerWaalsContact O-CA 3.28Å; Q619-L646 WeakPolarHBondContact O-CA 3.42Å; Q619-V647 PolarHBondContact N-O 2.87Å; Q619-V647 PolarHBondContact O-N 3.1Å |
| 620 | L | 83.6 | Confident | 77.4 | Confident | 47.3333 Ų | 47.3333 | 57.1 Ų | 57.1 | 25% | 0.248 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 118.7 | 171.5 | -179 | 129.8 | 0 | 0 | 0 | 108.5 | L607 V608 L622 L644 L645 L646 | L607-L620 CarbonylContact C-O 3.42Å; L607-L620 WeakPolarHBondContact CA-O 3.41Å; V608-L620 HydrophobicContact CB-CB 4.15Å; V608-L620 HydrophobicContact CB-CD2 4.28Å; V608-L620 HydrophobicContact CG2-CD2 4.16Å; V608-L620 PolarHBondContact N-O 3.25Å; V608-L620 PolarHBondContact O-N 3.09Å; L620-L622 HydrophobicContact CD2-CD1 3.83Å; L620-L622 HydrophobicContact CD2-CG 4.26Å; L620-L644 HydrophobicContact CD1-CD1 4.19Å; L620-L644 HydrophobicContact CD1-CD2 3.95Å; L620-L644 HydrophobicContact CD1-CG 3.84Å; L620-L645 CarbonylContact C-O 3.51Å; L620-L645 VanDerWaalsContact CA-O 3.29Å; L620-L645 WeakPolarHBondContact CA-O 3.26Å; L620-L646 HydrophobicContact CB-CD1 3.86Å; L620-L646 HydrophobicContact CD1-CB 4.28Å; L620-L646 HydrophobicContact CD1-CD1 4.13Å; L620-L646 HydrophobicContact CG-CD1 4.14Å |
| 621 | M | 85.6 | Confident | 76.7 | Confident | 79 Ų | 79 | 56 Ų | 56 | 39% | 0.389 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 142.4 | 177.5 | -58.4 | -172.1 | -36.7 | 0 | 0 | 109 | L607 L644 L645 | L607-M621 HydrophobicContact CD1-CG 3.57Å; L607-M621 HydrophobicContact CD1-SD 4.29Å; M621-L644 CarbonylContact O-C 3.55Å; M621-L644 VanDerWaalsContact O-CA 3.26Å; M621-L644 WeakPolarHBondContact O-CA 3.3Å; M621-L645 HydrophobicContact CB-CB 4.31Å; M621-L645 HydrophobicContact CB-CD2 4.42Å; M621-L645 HydrophobicContact CE-CB 4.46Å; M621-L645 HydrophobicContact CE-CD2 3.62Å; M621-L645 HydrophobicContact CE-CG 4.21Å; M621-L645 HydrophobicContact CG-CD2 4.48Å; M621-L645 PolarHBondContact N-O 3.14Å; M621-L645 PolarHBondContact O-N 3.07Å; M621-L645 HydrophobicContact SD-CD2 3.96Å |
| 622 | L | 84.9 | Confident | 76.3 | Confident | 18 Ų | 18 | 58.1 Ų | 58.1 | 9% | 0.094 | 34% | 0.336 | C | S | . | . | trans | -134 | 150.9 | 171.3 | -70.7 | 138.3 | 0 | 0 | 0 | 109.1 | R605 P606 L620 L641 D643 L644 | R605-L622 CarbonylContact C-O 3.57Å; R605-L622 VanDerWaalsContact CA-O 3.3Å; R605-L622 WeakPolarHBondContact CA-O 3.34Å; P606-L622 HydrophobicContact CB-CB 4.27Å; P606-L622 HydrophobicContact CB-CD1 4.45Å; P606-L622 VanDerWaalsContact CD-O 3.29Å; P606-L622 WeakPolarHBondContact CD-O 3.29Å; P606-L622 HydrophobicContact CG-CB 3.64Å; P606-L622 HydrophobicContact CG-CD1 3.79Å; P606-L622 HydrophobicContact CG-CG 4.32Å; P606-L622 PolarHBondContact O-N 3.04Å; P606-L622 VanDerWaalsContact O-N 3.16Å; L620-L622 HydrophobicContact CD2-CD1 3.83Å; L620-L622 HydrophobicContact CD2-CG 4.26Å; L622-L641 HydrophobicContact CD1-CD2 4.02Å; L622-L641 HydrophobicContact CD2-CB 3.7Å; L622-L641 HydrophobicContact CD2-CD1 4.47Å; L622-L641 HydrophobicContact CD2-CD2 3.63Å; L622-L641 VanDerWaalsContact CD2-CD2 3.47Å; L622-L641 HydrophobicContact CD2-CG 4.17Å; L622-L641 HydrophobicContact CG-CD2 4.46Å; L622-D643 WeakPolarHBondContact CA-O 3.38Å; L622-L644 HydrophobicContact CD1-CD1 4.39Å; L622-L644 HydrophobicContact CD2-CB 3.61Å; L622-L644 HydrophobicContact CD2-CD1 3.99Å; L622-L644 HydrophobicContact CD2-CG 4.06Å; L622-L644 HydrophobicContact CG-CB 4.31Å; L622-L644 HydrophobicContact CG-CD1 4.36Å; L622-L644 HydrophobicContact CG-CG 4.33Å | ||
| 623 | S | 85.6 | Confident | 75.9 | Confident | 33.6667 Ų | 33.6667 | 60.9 Ų | 60.9 | 24% | 0.235 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -79.5 | -45.1 | 169.9 | 62.5 | 0 | 0 | 0 | 0 | 111.3 | R605 S642 D643 | R605-S623 PolarHBondContact N-O 2.89Å; S623-S642 PolarHBondContact N-O 3.15Å; S623-S642 VanDerWaalsContact OG-C 3.24Å; S623-S642 VanDerWaalsContact OG-CB 3.3Å; S623-S642 WeakPolarHBondContact OG-CB 3.25Å; S623-S642 PolarHBondContact OG-O 2.91Å; S623-D643 WeakPolarHBondContact CB-OD2 3.38Å; S623-D643 WeakPolarHBondContact OG-CB 3.24Å; S623-D643 PolarHBondContact OG-OD2 3.12Å |
| 624 | H | 86 | Confident | 75.7 | Confident | 73.6667 Ų | 73.6667 | 59.5 Ų | 59.5 | 34% | 0.341 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 139.6 | 179.6 | -99.3 | -47 | 0 | 0 | 0 | 111.9 | M602 I603 S604 L641 S642 | M602-H624 WeakPolarHBondContact CE-CE1 3.48Å; M602-H624 WeakPolarHBondContact CE-NE2 3.21Å; M602-H624 PolarHBondContact SD-NE2 2.77Å; I603-H624 CarbonylContact O-C 3.52Å; I603-H624 WeakPolarHBondContact O-CA 3.42Å; S604-H624 PolarHBondContact OG-CE1 2.8Å; S604-H624 PolarHBondContact OG-ND1 3.06Å; H624-L641 CarbonylContact O-C 3.43Å; H624-L641 WeakPolarHBondContact O-CA 3.29Å; H624-S642 PolarHBondContact N-O 3.21Å; H624-S642 PolarHBondContact O-N 3Å |
| 625 | L | 86.2 | Confident | 76.2 | Confident | 33 Ų | 33 | 58.1 Ų | 58.1 | 17% | 0.173 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 120.1 | 168.3 | 156.4 | 66.4 | 0 | 0 | 0 | 107.8 | M602 I603 V627 V639 Q640 L641 | M602-L625 CarbonylContact C-O 3.55Å; M602-L625 WeakPolarHBondContact CA-O 3.38Å; I603-L625 HydrophobicContact CB-CB 4.08Å; I603-L625 HydrophobicContact CB-CD2 4.22Å; I603-L625 HydrophobicContact CB-CG 4.28Å; I603-L625 HydrophobicContact CD1-CD2 3.82Å; I603-L625 HydrophobicContact CD1-CG 4.36Å; I603-L625 HydrophobicContact CG1-CD2 4.18Å; I603-L625 HydrophobicContact CG1-CG 4.42Å; I603-L625 PolarHBondContact N-O 3.05Å; I603-L625 PolarHBondContact O-N 2.94Å; L625-V627 HydrophobicContact CD1-CG2 4.05Å; L625-V639 HydrophobicContact CD1-CG1 4.18Å; L625-Q640 CarbonylContact C-O 3.55Å; L625-Q640 VanDerWaalsContact CA-O 3.31Å; L625-Q640 WeakPolarHBondContact CA-O 3.43Å; L625-L641 HydrophobicContact CB-CD2 3.97Å; L625-L641 HydrophobicContact CD1-CD2 3.47Å; L625-L641 VanDerWaalsContact CD1-CD2 3.47Å; L625-L641 HydrophobicContact CD1-CG 4.37Å; L625-L641 HydrophobicContact CD2-CD2 4.41Å; L625-L641 HydrophobicContact CG-CD2 4.16Å |
| 626 | S | 87.2 | Confident | 76.8 | Confident | 26 Ų | 26 | 53.4 Ų | 53.4 | 18% | 0.182 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 139.2 | 172.4 | 63.5 | 0 | 0 | 0 | 0 | 111.2 | L601 M602 V639 Q640 | L601-S626 CarbonylContact O-C 3.55Å; L601-S626 VanDerWaalsContact O-CA 3.23Å; L601-S626 WeakPolarHBondContact O-CA 3.26Å; M602-S626 WeakPolarHBondContact SD-CB 3.35Å; S626-V639 CarbonylContact O-C 3.5Å; S626-V639 WeakPolarHBondContact O-CA 3.39Å; S626-Q640 PolarHBondContact N-O 3.19Å; S626-Q640 PolarHBondContact O-N 3.37Å; S626-Q640 WeakPolarHBondContact OG-CB 3.34Å |
| 627 | V | 86.2 | Confident | 77.5 | Confident | 25.3333 Ų | 25.3333 | 50.4 Ų | 50.4 | 15% | 0.154 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 109.5 | 170.3 | -176.6 | 0 | 0 | 0 | 0 | 107.6 | F599 E600 L601 L625 I637 Q638 V639 | F599-V627 HydrophobicContact CE1-CG1 4.49Å; E600-V627 CarbonylContact C-O 3.55Å; E600-V627 WeakPolarHBondContact CA-O 3.19Å; L601-V627 HydrophobicContact CB-CB 4.08Å; L601-V627 HydrophobicContact CD2-CB 4.31Å; L601-V627 HydrophobicContact CD2-CG2 4.07Å; L601-V627 PolarHBondContact N-O 3.11Å; L601-V627 PolarHBondContact O-N 3.17Å; L625-V627 HydrophobicContact CD1-CG2 4.05Å; V627-I637 HydrophobicContact CG1-CG2 4.07Å; V627-Q638 CarbonylContact C-O 3.45Å; V627-Q638 VanDerWaalsContact CA-O 3.31Å; V627-Q638 WeakPolarHBondContact CA-O 3.22Å; V627-V639 HydrophobicContact CB-CG2 4.47Å; V627-V639 HydrophobicContact CG1-CG2 3.98Å; V627-V639 HydrophobicContact CG2-CB 4.48Å; V627-V639 HydrophobicContact CG2-CG1 4.18Å; V627-V639 HydrophobicContact CG2-CG2 4.07Å |
| 628 | S | 85.7 | Confident | 78.1 | Confident | 35 Ų | 35 | 50.2 Ų | 50.2 | 25% | 0.245 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 139 | 172.1 | 55.6 | 0 | 0 | 0 | 0 | 109.8 | F599 I637 Q638 | F599-S628 CarbonylContact O-C 3.52Å; F599-S628 VanDerWaalsContact O-CA 3.3Å; F599-S628 WeakPolarHBondContact O-CA 3.42Å; S628-I637 CarbonylContact O-C 3.54Å; S628-I637 WeakPolarHBondContact O-CA 3.33Å; S628-Q638 PolarHBondContact N-O 3.16Å; S628-Q638 PolarHBondContact O-N 3.15Å |
| 629 | A | 81.5 | Confident | 78.5 | Confident | 17 Ų | 17 | 50.1 Ų | 50.1 | 14% | 0.14 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 116.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | S598 F599 T636 I637 | S598-A629 VanDerWaalsContact CA-O 3.24Å; S598-A629 WeakPolarHBondContact CA-O 3.25Å; F599-A629 HydrophobicContact CB-CB 4.19Å; F599-A629 PolarHBondContact N-O 3.07Å; F599-A629 PolarHBondContact O-N 3.1Å; A629-T636 CarbonylContact C-O 3.54Å; A629-T636 VanDerWaalsContact CA-O 3.3Å; A629-T636 WeakPolarHBondContact CA-O 3.24Å; A629-I637 HydrophobicContact CB-CB 4.47Å; A629-I637 HydrophobicContact CB-CG1 3.97Å; A629-I637 HydrophobicContact CB-CG2 4.41Å |
| 630 | D | 71.8 | Confident | 78.7 | Confident | 83 Ų | 83 | 48.6 Ų | 48.6 | 44% | 0.444 | 28% | 0.278 | S | S | . | . | trans | -76.6 | 147.5 | -179.3 | -94.7 | -28.6 | 0 | 0 | 0 | 111.4 | S632 K635 T636 | D630-S632 VanDerWaalsContact C-N 3.31Å; D630-K635 PolarHBondContact O-NZ 2.94Å; D630-T636 WeakPolarHBondContact CB-OG1 3.3Å; D630-T636 PolarHBondContact N-O 2.83Å; D630-T636 VanDerWaalsContact N-O 3.11Å; D630-T636 PolarHBondContact OD2-OG1 3.17Å | ||
| 631 | G | 65.6 | Low | 78.8 | Confident | 27.6667 Ų | 27.6667 | 47.8 Ų | 47.8 | 29% | 0.285 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -79.9 | -8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 632 | S | 66.4 | Low | 78.8 | Confident | 68.6667 Ų | 68.6667 | 45.1 Ų | 45.1 | 48% | 0.48 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -81.4 | 151 | -179.5 | 55.8 | 0 | 0 | 0 | 0 | 112.3 | D630 P634 K635 | D630-S632 VanDerWaalsContact C-N 3.31Å; S632-P634 CarbonylContact O-C 3.5Å; S632-P634 VanDerWaalsContact O-C 3.23Å; S632-P634 VanDerWaalsContact O-O 3.11Å; S632-K635 VanDerWaalsContact O-CA 3.26Å; S632-K635 WeakPolarHBondContact O-CA 3.29Å; S632-K635 VanDerWaalsContact O-CG 3.31Å; S632-K635 WeakPolarHBondContact O-CG 3.45Å; S632-K635 PolarHBondContact O-N 3Å |
| 633 | L | 60.3 | Low | 78.7 | Confident | 118 Ų | 118 | 48.3 Ų | 48.3 | 62% | 0.618 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -96.6 | 132.1 | 174 | -77.2 | 162.3 | 0 | 0 | 0 | 109.9 | K635 P669 | L633-K635 HydrophobicContact CD2-CG 4.42Å; L633-P669 HydrophobicContact CD2-CB 3.99Å; L633-P669 HydrophobicContact CD2-CG 3.69Å |
| 634 | P | 57.7 | Low | 78.6 | Confident | 66 Ų | 66 | 47.6 Ų | 47.6 | 43% | 0.429 | 27% | 0.273 | S | S | . | . | S | Bend | cis | -71.8 | 143.7 | -3.3 | 30.2 | -34.1 | 0 | 0 | 0 | 112.5 | S632 T636 L667 D668 | S632-P634 CarbonylContact O-C 3.5Å; S632-P634 VanDerWaalsContact O-C 3.23Å; S632-P634 VanDerWaalsContact O-O 3.11Å; P634-T636 PolarHBondContact O-N 3.16Å; P634-L667 WeakPolarHBondContact CB-O 3.37Å; P634-D668 HydrophobicContact CB-CB 3.72Å |
| 635 | K | 68.1 | Low | 78.4 | Confident | 34.3333 Ų | 34.3333 | 46.9 Ų | 46.9 | 15% | 0.149 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 120.5 | -175.2 | -80.3 | -174.7 | 161.4 | -125.6 | 0 | 111.4 | L594 S595 T597 D630 S632 L633 K666 L667 | L594-K635 WeakPolarHBondContact O-CE 3.33Å; L594-K635 PolarHBondContact O-NZ 3.1Å; S595-K635 VanDerWaalsContact C-CE 3.46Å; S595-K635 WeakPolarHBondContact O-CE 3.24Å; T597-K635 PolarHBondContact O-NZ 3.07Å; D630-K635 PolarHBondContact O-NZ 2.94Å; S632-K635 VanDerWaalsContact O-CA 3.26Å; S632-K635 WeakPolarHBondContact O-CA 3.29Å; S632-K635 VanDerWaalsContact O-CG 3.31Å; S632-K635 WeakPolarHBondContact O-CG 3.45Å; S632-K635 PolarHBondContact O-N 3Å; L633-K635 HydrophobicContact CD2-CG 4.42Å; K635-K666 CarbonylContact O-C 3.58Å; K635-K666 VanDerWaalsContact O-CA 3.29Å; K635-K666 WeakPolarHBondContact O-CA 3.29Å; K635-L667 HydrophobicContact CB-CB 4.37Å; K635-L667 PolarHBondContact N-O 3.06Å; K635-L667 PolarHBondContact O-N 3.15Å |
| 636 | T | 73.4 | Confident | 78.2 | Confident | 44.3333 Ų | 44.3333 | 47.5 Ų | 47.5 | 27% | 0.272 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 118.4 | 170.9 | 32.3 | 0 | 0 | 0 | 0 | 110 | A629 D630 P634 I665 K666 | A629-T636 CarbonylContact C-O 3.54Å; A629-T636 VanDerWaalsContact CA-O 3.3Å; A629-T636 WeakPolarHBondContact CA-O 3.24Å; D630-T636 WeakPolarHBondContact CB-OG1 3.3Å; D630-T636 PolarHBondContact N-O 2.83Å; D630-T636 VanDerWaalsContact N-O 3.11Å; D630-T636 PolarHBondContact OD2-OG1 3.17Å; P634-T636 PolarHBondContact O-N 3.16Å; T636-I665 CarbonylContact C-O 3.54Å; T636-I665 WeakPolarHBondContact CA-O 3.21Å; T636-K666 HydrophobicContact CG2-CD 4.14Å; T636-K666 HydrophobicContact CG2-CG 3.71Å |
| 637 | I | 80.2 | Confident | 77.7 | Confident | 48.6667 Ų | 48.6667 | 48.3 Ų | 48.3 | 25% | 0.25 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 116.2 | 168.5 | -55.6 | 173.5 | 0 | 0 | 0 | 107.5 | V627 S628 A629 V639 N664 I665 L667 | V627-I637 HydrophobicContact CG1-CG2 4.07Å; S628-I637 CarbonylContact O-C 3.54Å; S628-I637 WeakPolarHBondContact O-CA 3.33Å; A629-I637 HydrophobicContact CB-CB 4.47Å; A629-I637 HydrophobicContact CB-CG1 3.97Å; A629-I637 HydrophobicContact CB-CG2 4.41Å; I637-V639 HydrophobicContact CG2-CG2 4.42Å; I637-N664 CarbonylContact O-C 3.42Å; I637-N664 WeakPolarHBondContact O-CA 3.22Å; I637-I665 HydrophobicContact CB-CB 4.33Å; I637-I665 PolarHBondContact N-O 2.8Å; I637-I665 PolarHBondContact O-N 2.86Å; I637-L667 HydrophobicContact CD1-CD1 3.85Å; I637-L667 HydrophobicContact CG1-CD1 4.37Å |
| 638 | Q | 84.3 | Confident | 77.1 | Confident | 69.3333 Ų | 69.3333 | 47.9 Ų | 47.9 | 32% | 0.324 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 121.5 | 175.3 | 172 | 169.9 | 7.5 | 0 | 0 | 109.5 | V627 S628 V662 C663 N664 | V627-Q638 CarbonylContact C-O 3.45Å; V627-Q638 VanDerWaalsContact CA-O 3.31Å; V627-Q638 WeakPolarHBondContact CA-O 3.22Å; S628-Q638 PolarHBondContact N-O 3.16Å; S628-Q638 PolarHBondContact O-N 3.15Å; Q638-V662 HydrophobicContact CG-CG1 4.14Å; Q638-C663 CarbonylContact C-O 3.44Å; Q638-C663 WeakPolarHBondContact CA-O 3.32Å; Q638-N664 VanDerWaalsContact CB-OD1 3.29Å; Q638-N664 WeakPolarHBondContact CB-OD1 3.2Å; Q638-N664 VanDerWaalsContact CG-OD1 3.24Å; Q638-N664 WeakPolarHBondContact CG-OD1 3.28Å |
| 639 | V | 86 | Confident | 76.1 | Confident | 37.6667 Ų | 37.6667 | 49 Ų | 49 | 23% | 0.228 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 120.1 | 172.5 | 177.4 | 0 | 0 | 0 | 0 | 107.8 | L625 S626 V627 I637 V662 C663 | L625-V639 HydrophobicContact CD1-CG1 4.18Å; S626-V639 CarbonylContact O-C 3.5Å; S626-V639 WeakPolarHBondContact O-CA 3.39Å; V627-V639 HydrophobicContact CB-CG2 4.47Å; V627-V639 HydrophobicContact CG1-CG2 3.98Å; V627-V639 HydrophobicContact CG2-CB 4.48Å; V627-V639 HydrophobicContact CG2-CG1 4.18Å; V627-V639 HydrophobicContact CG2-CG2 4.07Å; I637-V639 HydrophobicContact CG2-CG2 4.42Å; V639-V662 CarbonylContact O-C 3.52Å; V639-V662 VanDerWaalsContact O-CA 3.29Å; V639-V662 WeakPolarHBondContact O-CA 3.38Å; V639-C663 HydrophobicContact CB-CB 4.26Å; V639-C663 PolarHBondContact N-O 3.17Å; V639-C663 PolarHBondContact O-N 2.95Å |
| 640 | Q | 86.6 | Confident | 75 | Confident | 35.6667 Ų | 35.6667 | 53.9 Ų | 53.9 | 17% | 0.167 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 129.7 | 175.7 | 170.4 | 174 | -28.3 | 0 | 0 | 111.1 | L625 S626 R660 L661 V662 | L625-Q640 CarbonylContact C-O 3.55Å; L625-Q640 VanDerWaalsContact CA-O 3.31Å; L625-Q640 WeakPolarHBondContact CA-O 3.43Å; S626-Q640 PolarHBondContact N-O 3.19Å; S626-Q640 PolarHBondContact O-N 3.37Å; S626-Q640 WeakPolarHBondContact OG-CB 3.34Å; Q640-R660 VanDerWaalsContact OE1-NH2 3.1Å; Q640-L661 CarbonylContact C-O 3.49Å; Q640-L661 WeakPolarHBondContact CA-O 3.34Å; Q640-V662 HydrophobicContact CB-CG2 4.19Å; Q640-V662 HydrophobicContact CG-CG2 4Å |
| 641 | L | 85.7 | Confident | 74.2 | Confident | 30 Ų | 30 | 54.4 Ų | 54.4 | 16% | 0.157 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 132.5 | 172.1 | -61.9 | 168.2 | 0 | 0 | 0 | 108 | L622 H624 L625 L644 R660 L661 | L622-L641 HydrophobicContact CD1-CD2 4.02Å; L622-L641 HydrophobicContact CD2-CB 3.7Å; L622-L641 HydrophobicContact CD2-CD1 4.47Å; L622-L641 HydrophobicContact CD2-CD2 3.63Å; L622-L641 VanDerWaalsContact CD2-CD2 3.47Å; L622-L641 HydrophobicContact CD2-CG 4.17Å; L622-L641 HydrophobicContact CG-CD2 4.46Å; H624-L641 CarbonylContact O-C 3.43Å; H624-L641 WeakPolarHBondContact O-CA 3.29Å; L625-L641 HydrophobicContact CB-CD2 3.97Å; L625-L641 HydrophobicContact CD1-CD2 3.47Å; L625-L641 VanDerWaalsContact CD1-CD2 3.47Å; L625-L641 HydrophobicContact CD1-CG 4.37Å; L625-L641 HydrophobicContact CD2-CD2 4.41Å; L625-L641 HydrophobicContact CG-CD2 4.16Å; L641-L644 HydrophobicContact CD1-CD1 4.17Å; L641-R660 CarbonylContact O-C 3.56Å; L641-R660 WeakPolarHBondContact O-CA 3.19Å; L641-L661 HydrophobicContact CB-CB 4.17Å; L641-L661 HydrophobicContact CD1-CB 4.42Å; L641-L661 HydrophobicContact CD1-CD1 4.32Å; L641-L661 HydrophobicContact CD1-CD2 3.81Å; L641-L661 HydrophobicContact CD1-CG 4.41Å; L641-L661 HydrophobicContact CG-CD2 4.38Å; L641-L661 PolarHBondContact N-O 2.97Å; L641-L661 PolarHBondContact O-N 2.9Å |
| 642 | S | 84.4 | Confident | 73.7 | Confident | 21.6667 Ų | 21.6667 | 60.3 Ų | 60.3 | 15% | 0.152 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 137.2 | 176.1 | -53.2 | 0 | 0 | 0 | 0 | 109.8 | S623 H624 L644 R659 | S623-S642 PolarHBondContact N-O 3.15Å; S623-S642 VanDerWaalsContact OG-C 3.24Å; S623-S642 VanDerWaalsContact OG-CB 3.3Å; S623-S642 WeakPolarHBondContact OG-CB 3.25Å; S623-S642 PolarHBondContact OG-O 2.91Å; H624-S642 PolarHBondContact N-O 3.21Å; H624-S642 PolarHBondContact O-N 3Å; S642-L644 PolarHBondContact O-N 3.04Å; S642-R659 CarbonylContact C-O 3.51Å; S642-R659 WeakPolarHBondContact CA-O 3.31Å |
| 643 | D | 83.7 | Confident | 73.3 | Confident | 84.6667 Ų | 84.6667 | 61.1 Ų | 61.1 | 45% | 0.453 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 45.7 | 56.1 | 179.9 | -47.9 | -55.4 | 0 | 0 | 0 | 114.1 | L622 S623 L645 T658 R659 | L622-D643 WeakPolarHBondContact CA-O 3.38Å; S623-D643 WeakPolarHBondContact CB-OD2 3.38Å; S623-D643 WeakPolarHBondContact OG-CB 3.24Å; S623-D643 PolarHBondContact OG-OD2 3.12Å; D643-L645 PolarHBondContact O-N 2.88Å; D643-T658 CarbonylContact C-O 3.54Å; D643-T658 VanDerWaalsContact CA-O 3.26Å; D643-T658 WeakPolarHBondContact CA-O 3.22Å; D643-T658 PolarHBondContact N-O 3.12Å; D643-R659 PolarHBondContact N-O 3.18Å |
| 644 | L | 82.8 | Confident | 73.3 | Confident | 19.3333 Ų | 19.3333 | 57.5 Ų | 57.5 | 10% | 0.101 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 127.8 | 172.2 | -176.6 | 146.3 | 0 | 0 | 0 | 109.2 | L620 M621 L622 L641 S642 L646 L656 A657 T658 | L620-L644 HydrophobicContact CD1-CD1 4.19Å; L620-L644 HydrophobicContact CD1-CD2 3.95Å; L620-L644 HydrophobicContact CD1-CG 3.84Å; M621-L644 CarbonylContact O-C 3.55Å; M621-L644 VanDerWaalsContact O-CA 3.26Å; M621-L644 WeakPolarHBondContact O-CA 3.3Å; L622-L644 HydrophobicContact CD1-CD1 4.39Å; L622-L644 HydrophobicContact CD2-CB 3.61Å; L622-L644 HydrophobicContact CD2-CD1 3.99Å; L622-L644 HydrophobicContact CD2-CG 4.06Å; L622-L644 HydrophobicContact CG-CB 4.31Å; L622-L644 HydrophobicContact CG-CD1 4.36Å; L622-L644 HydrophobicContact CG-CG 4.33Å; L641-L644 HydrophobicContact CD1-CD1 4.17Å; S642-L644 PolarHBondContact O-N 3.04Å; L644-L646 HydrophobicContact CD2-CB 4.48Å; L644-L656 HydrophobicContact CD2-CD2 3.54Å; L644-L656 HydrophobicContact CD2-CG 3.91Å; L644-A657 CarbonylContact O-C 3.54Å; L644-A657 VanDerWaalsContact O-CA 3.22Å; L644-A657 WeakPolarHBondContact O-CA 3.31Å; L644-T658 WeakPolarHBondContact CB-OG1 3.1Å; L644-T658 HydrophobicContact CD2-CG2 4.47Å; L644-T658 PolarHBondContact N-O 3.03Å; L644-T658 PolarHBondContact O-N 3.11Å |
| 645 | L | 82.8 | Confident | 74.1 | Confident | 59 Ų | 59 | 55.7 Ų | 55.7 | 31% | 0.309 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 117.3 | 175.9 | 179.6 | 76.9 | 0 | 0 | 0 | 109 | L620 M621 D643 V647 V654 L656 A657 | L620-L645 CarbonylContact C-O 3.51Å; L620-L645 VanDerWaalsContact CA-O 3.29Å; L620-L645 WeakPolarHBondContact CA-O 3.26Å; M621-L645 HydrophobicContact CB-CB 4.31Å; M621-L645 HydrophobicContact CB-CD2 4.42Å; M621-L645 HydrophobicContact CE-CB 4.46Å; M621-L645 HydrophobicContact CE-CD2 3.62Å; M621-L645 HydrophobicContact CE-CG 4.21Å; M621-L645 HydrophobicContact CG-CD2 4.48Å; M621-L645 PolarHBondContact N-O 3.14Å; M621-L645 PolarHBondContact O-N 3.07Å; M621-L645 HydrophobicContact SD-CD2 3.96Å; D643-L645 PolarHBondContact O-N 2.88Å; L645-V647 HydrophobicContact CD1-CG2 3.65Å; L645-V647 HydrophobicContact CD2-CG2 3.82Å; L645-V647 HydrophobicContact CG-CG2 3.71Å; L645-V654 HydrophobicContact CD1-CG1 3.96Å; L645-V654 HydrophobicContact CD1-CG2 4.31Å; L645-V654 HydrophobicContact CG-CG1 4.31Å; L645-L656 CarbonylContact C-O 3.55Å; L645-L656 WeakPolarHBondContact CA-O 3.33Å; L645-A657 HydrophobicContact CD1-CB 4.06Å |
| 646 | L | 81.2 | Confident | 74.5 | Confident | 47 Ų | 47 | 56.7 Ų | 56.7 | 25% | 0.246 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 115.4 | 174.1 | -173.5 | 75.7 | 0 | 0 | 0 | 108.2 | L618 Q619 L620 L644 S655 L656 | L618-L646 HydrophobicContact CB-CD1 4.2Å; L618-L646 HydrophobicContact CD2-CD1 3.93Å; L618-L646 HydrophobicContact CD2-CD2 3.78Å; L618-L646 HydrophobicContact CD2-CG 3.92Å; Q619-L646 CarbonylContact O-C 3.21Å; Q619-L646 VanDerWaalsContact O-CA 3.28Å; Q619-L646 WeakPolarHBondContact O-CA 3.42Å; L620-L646 HydrophobicContact CB-CD1 3.86Å; L620-L646 HydrophobicContact CD1-CB 4.28Å; L620-L646 HydrophobicContact CD1-CD1 4.13Å; L620-L646 HydrophobicContact CG-CD1 4.14Å; L644-L646 HydrophobicContact CD2-CB 4.48Å; L646-S655 WeakPolarHBondContact CD2-OG 3.33Å; L646-S655 VanDerWaalsContact CG-OG 3.28Å; L646-S655 WeakPolarHBondContact CG-OG 3.47Å; L646-S655 CarbonylContact O-C 3.53Å; L646-S655 VanDerWaalsContact O-CA 3.29Å; L646-S655 WeakPolarHBondContact O-CA 3.39Å; L646-S655 PolarHBondContact O-N 3.29Å; L646-S655 PolarHBondContact O-OG 3.37Å; L646-L656 HydrophobicContact CB-CB 4Å; L646-L656 HydrophobicContact CD2-CB 4.34Å; L646-L656 HydrophobicContact CD2-CD2 4.47Å; L646-L656 PolarHBondContact N-O 3.11Å; L646-L656 PolarHBondContact O-N 3.2Å |
| 647 | V | 76.4 | Confident | 74.8 | Confident | 42 Ų | 42 | 55.9 Ų | 55.9 | 26% | 0.255 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 136.4 | -179.1 | -176.5 | 0 | 0 | 0 | 0 | 109.9 | L618 Q619 L645 V654 | L618-V647 CarbonylContact C-O 3.56Å; L618-V647 WeakPolarHBondContact CA-O 3.41Å; Q619-V647 PolarHBondContact N-O 2.87Å; Q619-V647 PolarHBondContact O-N 3.1Å; L645-V647 HydrophobicContact CD1-CG2 3.65Å; L645-V647 HydrophobicContact CD2-CG2 3.82Å; L645-V647 HydrophobicContact CG-CG2 3.71Å; V647-V654 HydrophobicContact CG2-CG2 4.34Å |
| 648 | E | 74 | Confident | 74.8 | Confident | 17.3333 Ų | 17.3333 | 54 Ų | 54 | 8% | 0.081 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 123.5 | 167.6 | -172.2 | 168.4 | -167.7 | 0 | 0 | 110.2 | R616 L618 K650 L651 D652 M653 V654 | R616-E648 VanDerWaalsContact CD-OE1 3.31Å; R616-E648 WeakPolarHBondContact CD-OE1 3.39Å; R616-E648 VanDerWaalsContact CG-OE1 3.26Å; R616-E648 WeakPolarHBondContact CG-OE1 3.45Å; R616-E648 IonicContact CZ-OE1 3.65Å; R616-E648 IonicContact NE-OE1 2.9Å; R616-E648 IonicContact NH1-OE1 2.94Å; R616-E648 PolarHBondContact NH1-OE1 2.72Å; L618-E648 HydrophobicContact CD2-CB 4Å; L618-E648 HydrophobicContact CD2-CG 3.87Å; E648-K650 VanDerWaalsContact C-N 3.3Å; E648-K650 PolarHBondContact O-N 2.86Å; E648-K650 VanDerWaalsContact O-N 3.16Å; E648-L651 PolarHBondContact O-N 3.22Å; E648-D652 PolarHBondContact O-N 3.08Å; E648-M653 PolarHBondContact N-O 3.32Å; E648-M653 VanDerWaalsContact N-O 3.1Å; E648-V654 HydrophobicContact CB-CB 4.41Å; E648-V654 PolarHBondContact N-O 3.1Å |
| 649 | S | 64.8 | Low | 74.7 | Confident | 58.6667 Ų | 58.6667 | 58.2 Ų | 58.2 | 41% | 0.41 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -12.6 | -167.8 | 60 | 0 | 0 | 0 | 0 | 116.3 | N617 | N617-S649 WeakPolarHBondContact CB-OG 3.39Å; N617-S649 PolarHBondContact O-N 2.87Å; N617-S649 VanDerWaalsContact O-N 3.14Å; N617-S649 PolarHBondContact O-OG 3.08Å; N617-S649 VanDerWaalsContact O-OG 3.06Å |
| 650 | K | 59.1 | Low | 74.6 | Confident | 119.667 Ų | 119.667 | 61.4 Ų | 61.4 | 52% | 0.52 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -20 | -174.2 | -93.3 | -167.8 | 178.1 | -165 | 0 | 114.6 | Q615 E648 | Q615-K650 HydrophobicContact CB-CD 4.33Å; Q615-K650 WeakPolarHBondContact O-CD 3.42Å; Q615-K650 WeakPolarHBondContact O-CE 3.33Å; E648-K650 VanDerWaalsContact C-N 3.3Å; E648-K650 PolarHBondContact O-N 2.86Å; E648-K650 VanDerWaalsContact O-N 3.16Å |
| 651 | L | 55.7 | Low | 74.5 | Confident | 92.3333 Ų | 92.3333 | 61.4 Ų | 61.4 | 48% | 0.483 | 31% | 0.314 | S | S | . | . | trans | -129.2 | 78.4 | -176.8 | -74.2 | 160.4 | 0 | 0 | 0 | 108.8 | E648 M653 V654 | E648-L651 PolarHBondContact O-N 3.22Å; L651-M653 HydrophobicContact CB-CB 3.79Å; L651-M653 HydrophobicContact CB-CG 3.61Å; L651-M653 PolarHBondContact O-N 3.11Å; L651-V654 PolarHBondContact O-N 3.21Å | ||
| 652 | D | 54.1 | Low | 74.5 | Confident | 153 Ų | 153 | 60.4 Ų | 60.4 | 82% | 0.818 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -29.2 | 7.6 | -174.2 | -80 | -23.2 | 0 | 0 | 0 | 113.6 | E648 | E648-D652 PolarHBondContact O-N 3.08Š|
| 653 | M | 58.4 | Low | 74.5 | Confident | 85.3333 Ų | 85.3333 | 60 Ų | 60 | 42% | 0.42 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 8.3 | -175 | -71.9 | -75.9 | -85.4 | 0 | 0 | 112.5 | E648 L651 S655 C687 I688 L739 | E648-M653 PolarHBondContact N-O 3.32Å; E648-M653 VanDerWaalsContact N-O 3.1Å; L651-M653 HydrophobicContact CB-CB 3.79Å; L651-M653 HydrophobicContact CB-CG 3.61Å; L651-M653 PolarHBondContact O-N 3.11Å; M653-S655 PolarHBondContact O-N 2.63Å; M653-C687 CarbonylContact O-C 3.46Å; M653-C687 WeakPolarHBondContact O-CB 3.34Å; M653-I688 PolarHBondContact O-N 3.39Å; M653-L739 HydrophobicContact CE-CD1 3.81Å |
| 654 | V | 60.9 | Low | 74.4 | Confident | 42.3333 Ų | 42.3333 | 58.2 Ų | 58.2 | 26% | 0.257 | 30% | 0.297 | S | S | . | . | trans | -95.4 | 99.8 | 175.7 | -174.7 | 0 | 0 | 0 | 0 | 109.3 | L645 V647 E648 L651 A657 C687 | L645-V654 HydrophobicContact CD1-CG1 3.96Å; L645-V654 HydrophobicContact CD1-CG2 4.31Å; L645-V654 HydrophobicContact CG-CG1 4.31Å; V647-V654 HydrophobicContact CG2-CG2 4.34Å; E648-V654 HydrophobicContact CB-CB 4.41Å; E648-V654 PolarHBondContact N-O 3.1Å; L651-V654 PolarHBondContact O-N 3.21Å; V654-A657 HydrophobicContact CG1-CB 3.86Å; V654-C687 WeakPolarHBondContact CA-O 3.41Å; V654-C687 WeakPolarHBondContact O-CB 3.44Å | ||
| 655 | S | 73.1 | Confident | 74.2 | Confident | 27 Ų | 27 | 59.4 Ų | 59.4 | 19% | 0.189 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 124.4 | 177.9 | 65.3 | 0 | 0 | 0 | 0 | 111.7 | L646 M653 V686 C687 | L646-S655 WeakPolarHBondContact CD2-OG 3.33Å; L646-S655 VanDerWaalsContact CG-OG 3.28Å; L646-S655 WeakPolarHBondContact CG-OG 3.47Å; L646-S655 CarbonylContact O-C 3.53Å; L646-S655 VanDerWaalsContact O-CA 3.29Å; L646-S655 WeakPolarHBondContact O-CA 3.39Å; L646-S655 PolarHBondContact O-N 3.29Å; L646-S655 PolarHBondContact O-OG 3.37Å; M653-S655 PolarHBondContact O-N 2.63Å; S655-V686 CarbonylContact O-C 3.54Å; S655-V686 VanDerWaalsContact O-CA 3.3Å; S655-V686 WeakPolarHBondContact O-CA 3.34Å; S655-C687 PolarHBondContact N-O 3.24Å; S655-C687 PolarHBondContact O-N 2.96Å |
| 656 | L | 77 | Confident | 73.8 | Confident | 56.3333 Ų | 56.3333 | 60.7 Ų | 60.7 | 30% | 0.295 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 119.9 | 171.2 | 174.1 | 96 | 0 | 0 | 0 | 108.5 | L644 L645 L646 T658 R685 V686 | L644-L656 HydrophobicContact CD2-CD2 3.54Å; L644-L656 HydrophobicContact CD2-CG 3.91Å; L645-L656 CarbonylContact C-O 3.55Å; L645-L656 WeakPolarHBondContact CA-O 3.33Å; L646-L656 HydrophobicContact CB-CB 4Å; L646-L656 HydrophobicContact CD2-CB 4.34Å; L646-L656 HydrophobicContact CD2-CD2 4.47Å; L646-L656 PolarHBondContact N-O 3.11Å; L646-L656 PolarHBondContact O-N 3.2Å; L656-T658 HydrophobicContact CD1-CG2 4.09Å; L656-T658 HydrophobicContact CD2-CG2 4.1Å; L656-T658 HydrophobicContact CG-CG2 4.42Å; L656-R685 CarbonylContact C-O 3.5Å; L656-R685 VanDerWaalsContact CA-O 3.24Å; L656-R685 WeakPolarHBondContact CA-O 3.38Å; L656-V686 HydrophobicContact CD1-CG1 4.36Å; L656-V686 HydrophobicContact CD1-CG2 3.73Å; L656-V686 HydrophobicContact CG-CG2 4.27Å |
| 657 | A | 79.4 | Confident | 73.1 | Confident | 26 Ų | 26 | 62 Ų | 62 | 22% | 0.215 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 134.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | L644 L645 V654 A684 R685 | L644-A657 CarbonylContact O-C 3.54Å; L644-A657 VanDerWaalsContact O-CA 3.22Å; L644-A657 WeakPolarHBondContact O-CA 3.31Å; L645-A657 HydrophobicContact CD1-CB 4.06Å; V654-A657 HydrophobicContact CG1-CB 3.86Å; A657-A684 CarbonylContact O-C 3.53Å; A657-A684 VanDerWaalsContact O-CA 3.27Å; A657-A684 WeakPolarHBondContact O-CA 3.21Å; A657-R685 HydrophobicContact CB-CB 4.39Å; A657-R685 PolarHBondContact N-O 3.25Å; A657-R685 PolarHBondContact O-N 2.79Å |
| 658 | T | 80.9 | Confident | 72.5 | Confident | 9.66667 Ų | 9.66667 | 63.1 Ų | 63.1 | 6% | 0.059 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 131 | 173.8 | 75.4 | 0 | 0 | 0 | 0 | 109.6 | D643 L644 L656 V681 C683 A684 | D643-T658 CarbonylContact C-O 3.54Å; D643-T658 VanDerWaalsContact CA-O 3.26Å; D643-T658 WeakPolarHBondContact CA-O 3.22Å; D643-T658 PolarHBondContact N-O 3.12Å; L644-T658 WeakPolarHBondContact CB-OG1 3.1Å; L644-T658 HydrophobicContact CD2-CG2 4.47Å; L644-T658 PolarHBondContact N-O 3.03Å; L644-T658 PolarHBondContact O-N 3.11Å; L656-T658 HydrophobicContact CD1-CG2 4.09Å; L656-T658 HydrophobicContact CD2-CG2 4.1Å; L656-T658 HydrophobicContact CG-CG2 4.42Å; T658-V681 HydrophobicContact CG2-CG1 4.1Å; T658-C683 WeakPolarHBondContact CA-O 3.45Å; T658-A684 HydrophobicContact CG2-CB 3.83Å |
| 659 | R | 82.5 | Confident | 71.8 | Confident | 158.333 Ų | 158.333 | 66.4 Ų | 66.4 | 60% | 0.597 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.2 | -42.2 | 179.8 | -171.9 | -175.8 | -177.1 | -173.6 | 3 | 112.1 | S642 D643 D682 C683 | S642-R659 CarbonylContact C-O 3.51Å; S642-R659 WeakPolarHBondContact CA-O 3.31Å; D643-R659 PolarHBondContact N-O 3.18Å; R659-D682 PolarHBondContact N-O 3.08Å; R659-D682 VanDerWaalsContact N-O 3.1Å; R659-D682 IonicContact NH1-OD2 2.79Å; R659-C683 HydrophobicContact CB-CB 3.82Å; R659-C683 PolarHBondContact N-O 2.85Å |
| 660 | R | 83.9 | Confident | 71.5 | Confident | 103.667 Ų | 103.667 | 68.4 Ų | 68.4 | 39% | 0.391 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 128.5 | -179.5 | -166.6 | -177.5 | -179.8 | -176.6 | 0.1 | 110.6 | Q640 L641 V662 V681 D682 | Q640-R660 VanDerWaalsContact OE1-NH2 3.1Å; L641-R660 CarbonylContact O-C 3.56Å; L641-R660 WeakPolarHBondContact O-CA 3.19Å; R660-V662 HydrophobicContact CG-CG2 4.04Å; R660-V681 CarbonylContact O-C 3.48Å; R660-V681 WeakPolarHBondContact O-CA 3.21Å; R660-D682 HydrophobicContact CB-CB 4.02Å; R660-D682 PolarHBondContact N-O 3.05Å; R660-D682 PolarHBondContact O-N 3Å |
| 661 | L | 84.3 | Confident | 71 | Confident | 35.6667 Ų | 35.6667 | 65.7 Ų | 65.7 | 19% | 0.187 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 122.2 | 171 | 179.3 | 158.7 | 0 | 0 | 0 | 108.5 | Q640 L641 L679 F680 V681 | Q640-L661 CarbonylContact C-O 3.49Å; Q640-L661 WeakPolarHBondContact CA-O 3.34Å; L641-L661 HydrophobicContact CB-CB 4.17Å; L641-L661 HydrophobicContact CD1-CB 4.42Å; L641-L661 HydrophobicContact CD1-CD1 4.32Å; L641-L661 HydrophobicContact CD1-CD2 3.81Å; L641-L661 HydrophobicContact CD1-CG 4.41Å; L641-L661 HydrophobicContact CG-CD2 4.38Å; L641-L661 PolarHBondContact N-O 2.97Å; L641-L661 PolarHBondContact O-N 2.9Å; L661-L679 HydrophobicContact CD2-CD1 4.28Å; L661-L679 HydrophobicContact CG-CD1 4.3Å; L661-F680 CarbonylContact C-O 3.56Å; L661-F680 VanDerWaalsContact CA-O 3.31Å; L661-F680 WeakPolarHBondContact CA-O 3.3Å; L661-V681 HydrophobicContact CD1-CG2 4.14Å; L661-V681 HydrophobicContact CG-CG2 4.13Å |
| 662 | V | 85 | Confident | 70.7 | Confident | 9.66667 Ų | 9.66667 | 70 Ų | 70 | 6% | 0.059 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 130.7 | 179.7 | -175.1 | 0 | 0 | 0 | 0 | 108.6 | Q638 V639 Q640 R660 L679 F680 | Q638-V662 HydrophobicContact CG-CG1 4.14Å; V639-V662 CarbonylContact O-C 3.52Å; V639-V662 VanDerWaalsContact O-CA 3.29Å; V639-V662 WeakPolarHBondContact O-CA 3.38Å; Q640-V662 HydrophobicContact CB-CG2 4.19Å; Q640-V662 HydrophobicContact CG-CG2 4Å; R660-V662 HydrophobicContact CG-CG2 4.04Å; V662-L679 CarbonylContact O-C 3.44Å; V662-L679 WeakPolarHBondContact O-CA 3.31Å; V662-F680 HydrophobicContact CB-CB 4.3Å; V662-F680 HydrophobicContact CB-CD1 4.48Å; V662-F680 HydrophobicContact CG2-CD1 4.37Å; V662-F680 PolarHBondContact N-O 2.67Å; V662-F680 PolarHBondContact O-N 3.09Å |
| 663 | C | 84.6 | Confident | 70.5 | Confident | 13.3333 Ų | 13.3333 | 68.2 Ų | 68.2 | 9% | 0.09 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 111.6 | 176.4 | 174.9 | 0 | 0 | 0 | 0 | 108.8 | Q638 V639 M677 E678 L679 | Q638-C663 CarbonylContact C-O 3.44Å; Q638-C663 WeakPolarHBondContact CA-O 3.32Å; V639-C663 HydrophobicContact CB-CB 4.26Å; V639-C663 PolarHBondContact N-O 3.17Å; V639-C663 PolarHBondContact O-N 2.95Å; C663-M677 VanDerWaalsContact SG-CE 3.55Å; C663-M677 WeakPolarHBondContact SG-CE 3.43Å; C663-E678 CarbonylContact C-O 3.49Å; C663-E678 WeakPolarHBondContact CA-O 3.4Å; C663-L679 HydrophobicContact CB-CD1 4.16Å |
| 664 | N | 80.8 | Confident | 70.3 | Confident | 45.6667 Ų | 45.6667 | 73 Ų | 73 | 24% | 0.244 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 124.5 | 175.9 | -63.4 | -25.2 | 0 | 0 | 0 | 109.3 | I637 Q638 M677 E678 | I637-N664 CarbonylContact O-C 3.42Å; I637-N664 WeakPolarHBondContact O-CA 3.22Å; Q638-N664 VanDerWaalsContact CB-OD1 3.29Å; Q638-N664 WeakPolarHBondContact CB-OD1 3.2Å; Q638-N664 VanDerWaalsContact CG-OD1 3.24Å; Q638-N664 WeakPolarHBondContact CG-OD1 3.28Å; N664-M677 CarbonylContact O-C 3.54Å; N664-M677 WeakPolarHBondContact O-CA 3.43Å; N664-E678 HydrophobicContact CB-CB 4.31Å; N664-E678 PolarHBondContact N-O 3.1Å; N664-E678 PolarHBondContact O-N 3.4Å |
| 665 | I | 79.3 | Confident | 70.3 | Confident | 46 Ų | 46 | 72.7 Ų | 72.7 | 24% | 0.236 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 112.7 | 177.7 | -55.1 | 171.4 | 0 | 0 | 0 | 107.3 | T636 I637 L667 S676 M677 | T636-I665 CarbonylContact C-O 3.54Å; T636-I665 WeakPolarHBondContact CA-O 3.21Å; I637-I665 HydrophobicContact CB-CB 4.33Å; I637-I665 PolarHBondContact N-O 2.8Å; I637-I665 PolarHBondContact O-N 2.86Å; I665-L667 HydrophobicContact CG2-CD1 4.37Å; I665-L667 HydrophobicContact CG2-CD2 4.24Å; I665-L667 HydrophobicContact CG2-CG 4.28Å; I665-S676 CarbonylContact C-O 3.58Å; I665-S676 WeakPolarHBondContact CA-O 3.4Å; I665-M677 HydrophobicContact CG1-CG 4.34Å |
| 666 | K | 73.2 | Confident | 70.1 | Confident | 84.6667 Ų | 84.6667 | 72.8 Ų | 72.8 | 37% | 0.368 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 122.9 | 172.4 | -64.8 | 171.9 | 179.5 | 165.6 | 0 | 109.1 | K635 T636 S675 S676 E678 | K635-K666 CarbonylContact O-C 3.58Å; K635-K666 VanDerWaalsContact O-CA 3.29Å; K635-K666 WeakPolarHBondContact O-CA 3.29Å; T636-K666 HydrophobicContact CG2-CD 4.14Å; T636-K666 HydrophobicContact CG2-CG 3.71Å; K666-S675 CarbonylContact O-C 3.46Å; K666-S675 WeakPolarHBondContact O-CA 3.36Å; K666-S676 WeakPolarHBondContact CB-OG 3.35Å; K666-S676 PolarHBondContact N-O 3.04Å; K666-S676 PolarHBondContact O-N 2.89Å; K666-E678 IonicContact NZ-OE1 3.46Å; K666-E678 PolarHBondContact NZ-OE1 3.33Å; K666-E678 IonicContact NZ-OE2 3.03Å |
| 667 | L | 68.2 | Low | 70 | Confident | 74.6667 Ų | 74.6667 | 72.9 Ų | 72.9 | 39% | 0.391 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 111.9 | 178.1 | -68.2 | 166.9 | 0 | 0 | 0 | 109.7 | P634 K635 I637 I665 | P634-L667 WeakPolarHBondContact CB-O 3.37Å; K635-L667 HydrophobicContact CB-CB 4.37Å; K635-L667 PolarHBondContact N-O 3.06Å; K635-L667 PolarHBondContact O-N 3.15Å; I637-L667 HydrophobicContact CD1-CD1 3.85Å; I637-L667 HydrophobicContact CG1-CD1 4.37Å; I665-L667 HydrophobicContact CG2-CD1 4.37Å; I665-L667 HydrophobicContact CG2-CD2 4.24Å; I665-L667 HydrophobicContact CG2-CG 4.28Å |
| 668 | D | 63.7 | Low | 69.9 | Low | 65.6667 Ų | 65.6667 | 75.2 Ų | 75.2 | 35% | 0.351 | 38% | 0.381 | S | S | . | . | trans | -91.2 | 117.9 | 174.6 | -136.1 | -15.1 | 0 | 0 | 0 | 110.1 | P634 S670 C671 R674 | P634-D668 HydrophobicContact CB-CB 3.72Å; D668-S670 VanDerWaalsContact C-N 3.29Å; D668-S670 PolarHBondContact O-N 2.66Å; D668-S670 WeakPolarHBondContact OD1-CB 3.25Å; D668-S670 PolarHBondContact OD1-N 2.71Å; D668-S670 VanDerWaalsContact OD1-N 3.17Å; D668-S670 PolarHBondContact OD1-OG 2.88Å; D668-S670 PolarHBondContact OD2-OG 3.01Å; D668-C671 CarbonylContact O-C 3.54Å; D668-R674 HydrophobicContact CB-CB 3.88Å; D668-R674 VanDerWaalsContact OD2-CD 3.32Å; D668-R674 WeakPolarHBondContact OD2-CD 3.43Å; D668-R674 IonicContact OD2-NH1 2.78Å | ||
| 669 | P | 58.8 | Low | 70 | Confident | 87.6667 Ų | 87.6667 | 76.7 Ų | 76.7 | 57% | 0.569 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -19.8 | -176.8 | 28.9 | -35.9 | 0 | 0 | 0 | 113.7 | L633 C671 | L633-P669 HydrophobicContact CD2-CB 3.99Å; L633-P669 HydrophobicContact CD2-CG 3.69Å; P669-C671 VanDerWaalsContact C-N 3.29Å; P669-C671 PolarHBondContact O-N 2.77Å |
| 670 | S | 57.8 | Low | 70.1 | Confident | 99.6667 Ų | 99.6667 | 72.1 Ų | 72.1 | 70% | 0.697 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -14.6 | -177.1 | 60.8 | 0 | 0 | 0 | 0 | 113.6 | D668 | D668-S670 VanDerWaalsContact C-N 3.29Å; D668-S670 PolarHBondContact O-N 2.66Å; D668-S670 WeakPolarHBondContact OD1-CB 3.25Å; D668-S670 PolarHBondContact OD1-N 2.71Å; D668-S670 VanDerWaalsContact OD1-N 3.17Å; D668-S670 PolarHBondContact OD1-OG 2.88Å; D668-S670 PolarHBondContact OD2-OG 3.01Å |
| 671 | C | 49.8 | Very low | 70 | Confident | 64 Ų | 64 | 67.6 Ų | 67.6 | 43% | 0.432 | 36% | 0.357 | S | S | . | . | trans | -149.3 | 111.4 | -177.9 | -136 | 0 | 0 | 0 | 0 | 110.9 | D668 P669 V673 R674 | D668-C671 CarbonylContact O-C 3.54Å; P669-C671 VanDerWaalsContact C-N 3.29Å; P669-C671 PolarHBondContact O-N 2.77Å; C671-V673 PolarHBondContact O-N 2.93Å; C671-R674 HydrophobicContact CB-CB 4.39Å; C671-R674 HydrophobicContact CB-CG 4.21Å; C671-R674 PolarHBondContact O-N 2.83Å | ||
| 672 | H | 49 | Very low | 69.9 | Low | 181 Ų | 181 | 67.3 Ų | 67.3 | 84% | 0.838 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -2.3 | 177 | -74.2 | -58.3 | 0 | 0 | 0 | 115.3 | S675 | H672-S675 PolarHBondContact O-OG 2.76Š|
| 673 | V | 49.5 | Very low | 69.7 | Low | 115.667 Ų | 115.667 | 68.9 Ų | 68.9 | 70% | 0.701 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.3 | -10.1 | -171.6 | -170.4 | 0 | 0 | 0 | 0 | 113.8 | C671 | C671-V673 PolarHBondContact O-N 2.93Š|
| 674 | R | 54.3 | Low | 69.5 | Low | 185.333 Ų | 185.333 | 68.6 Ų | 68.6 | 70% | 0.699 | 37% | 0.366 | S | S | * | . | trans | -105.8 | 59.3 | 177.8 | -82 | -175.1 | 178.6 | 167.2 | 1.3 | 112.5 | D668 C671 S676 | D668-R674 HydrophobicContact CB-CB 3.88Å; D668-R674 VanDerWaalsContact OD2-CD 3.32Å; D668-R674 WeakPolarHBondContact OD2-CD 3.43Å; D668-R674 IonicContact OD2-NH1 2.78Å; C671-R674 HydrophobicContact CB-CB 4.39Å; C671-R674 HydrophobicContact CB-CG 4.21Å; C671-R674 PolarHBondContact O-N 2.83Å; R674-S676 PolarHBondContact O-N 3.06Å | ||
| 675 | S | 61.3 | Low | 69.4 | Low | 36.6667 Ų | 36.6667 | 72.2 Ų | 72.2 | 26% | 0.256 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 125.9 | 162.6 | 52 | 0 | 0 | 0 | 0 | 109.1 | K666 H672 L717 L718 G719 C720 | K666-S675 CarbonylContact O-C 3.46Å; K666-S675 WeakPolarHBondContact O-CA 3.36Å; H672-S675 PolarHBondContact O-OG 2.76Å; S675-L717 PolarHBondContact OG-O 3.19Å; S675-L718 WeakPolarHBondContact OG-CA 3.34Å; S675-G719 VanDerWaalsContact O-CA 3.25Å; S675-G719 WeakPolarHBondContact O-CA 3.32Å; S675-G719 PolarHBondContact O-N 3.35Å; S675-C720 PolarHBondContact O-N 2.91Å; S675-C720 VanDerWaalsContact O-N 3.15Å |
| 676 | S | 69.7 | Low | 69.4 | Low | 30 Ų | 30 | 71.5 Ų | 71.5 | 21% | 0.21 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 130.2 | 172.9 | 59.3 | 0 | 0 | 0 | 0 | 109.9 | I665 K666 R674 G719 C720 | I665-S676 CarbonylContact C-O 3.58Å; I665-S676 WeakPolarHBondContact CA-O 3.4Å; K666-S676 WeakPolarHBondContact CB-OG 3.35Å; K666-S676 PolarHBondContact N-O 3.04Å; K666-S676 PolarHBondContact O-N 2.89Å; R674-S676 PolarHBondContact O-N 3.06Å; S676-G719 WeakPolarHBondContact CA-O 3.4Å; S676-C720 WeakPolarHBondContact CA-O 3.27Å |
| 677 | M | 73.2 | Confident | 69.6 | Low | 58 Ų | 58 | 68.5 Ų | 68.5 | 29% | 0.286 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 126 | 175.1 | 179.3 | -176.2 | -179 | 0 | 0 | 108.8 | C663 N664 I665 L679 L718 G719 C720 M721 S722 | C663-M677 VanDerWaalsContact SG-CE 3.55Å; C663-M677 WeakPolarHBondContact SG-CE 3.43Å; N664-M677 CarbonylContact O-C 3.54Å; N664-M677 WeakPolarHBondContact O-CA 3.43Å; I665-M677 HydrophobicContact CG1-CG 4.34Å; M677-L679 HydrophobicContact CE-CD1 3.7Å; M677-L718 HydrophobicContact CB-CD1 3.81Å; M677-L718 HydrophobicContact CB-CD2 3.94Å; M677-L718 HydrophobicContact CB-CG 4.48Å; M677-L718 HydrophobicContact SD-CD1 3.92Å; M677-G719 PolarHBondContact N-O 2.97Å; M677-G719 VanDerWaalsContact N-O 3.13Å; M677-C720 PolarHBondContact N-O 3Å; M677-C720 VanDerWaalsContact N-O 3.17Å; M677-M721 HydrophobicContact CB-CG 4.45Å; M677-M721 CarbonylContact O-C 3.57Å; M677-M721 WeakPolarHBondContact O-CA 3.29Å; M677-M721 PolarHBondContact O-N 3.03Å; M677-S722 PolarHBondContact O-N 3.22Å; M677-S722 VanDerWaalsContact O-N 3.15Å |
| 678 | E | 77.9 | Confident | 70 | Confident | 73.6667 Ų | 73.6667 | 66.7 Ų | 66.7 | 34% | 0.344 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 112.4 | 173.4 | -55 | -178 | 177.7 | 0 | 0 | 108.4 | C663 N664 K666 S722 | C663-E678 CarbonylContact C-O 3.49Å; C663-E678 WeakPolarHBondContact CA-O 3.4Å; N664-E678 HydrophobicContact CB-CB 4.31Å; N664-E678 PolarHBondContact N-O 3.1Å; N664-E678 PolarHBondContact O-N 3.4Å; K666-E678 IonicContact NZ-OE1 3.46Å; K666-E678 PolarHBondContact NZ-OE1 3.33Å; K666-E678 IonicContact NZ-OE2 3.03Å; E678-S722 CarbonylContact C-O 3.53Å; E678-S722 VanDerWaalsContact CA-O 3.22Å; E678-S722 WeakPolarHBondContact CA-O 3.27Å; E678-S722 WeakPolarHBondContact CA-OG 3.38Å; E678-S722 VanDerWaalsContact CB-OG 3.26Å; E678-S722 WeakPolarHBondContact CB-OG 3.33Å; E678-S722 VanDerWaalsContact CG-OG 3.27Å; E678-S722 WeakPolarHBondContact CG-OG 3.36Å |
| 679 | L | 82.5 | Confident | 70.6 | Confident | 41.3333 Ų | 41.3333 | 66.9 Ų | 66.9 | 22% | 0.216 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 126.8 | 177.3 | -169.4 | 93.4 | 0 | 0 | 0 | 109.5 | L661 V662 C663 M677 V681 S722 V723 R724 | L661-L679 HydrophobicContact CD2-CD1 4.28Å; L661-L679 HydrophobicContact CG-CD1 4.3Å; V662-L679 CarbonylContact O-C 3.44Å; V662-L679 WeakPolarHBondContact O-CA 3.31Å; C663-L679 HydrophobicContact CB-CD1 4.16Å; M677-L679 HydrophobicContact CE-CD1 3.7Å; L679-V681 HydrophobicContact CD2-CG2 3.71Å; L679-V681 HydrophobicContact CG-CG2 4.3Å; L679-S722 PolarHBondContact N-O 2.96Å; L679-V723 HydrophobicContact CB-CB 4.46Å; L679-V723 HydrophobicContact CB-CG1 4.39Å; L679-V723 HydrophobicContact CB-CG2 4.24Å; L679-V723 HydrophobicContact CD2-CG1 4.01Å; L679-V723 HydrophobicContact CG-CG1 4.44Å; L679-V723 CarbonylContact O-C 3.56Å; L679-V723 VanDerWaalsContact O-CA 3.31Å; L679-V723 WeakPolarHBondContact O-CA 3.37Å; L679-R724 PolarHBondContact O-N 3.06Å |
| 680 | F | 84.8 | Confident | 71.2 | Confident | 63 Ų | 63 | 65.1 Ų | 65.1 | 28% | 0.276 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 128.9 | 175.9 | 176 | -96.2 | 0 | 0 | 0 | 109.7 | L661 V662 D682 R724 V726 | L661-F680 CarbonylContact C-O 3.56Å; L661-F680 VanDerWaalsContact CA-O 3.31Å; L661-F680 WeakPolarHBondContact CA-O 3.3Å; V662-F680 HydrophobicContact CB-CB 4.3Å; V662-F680 HydrophobicContact CB-CD1 4.48Å; V662-F680 HydrophobicContact CG2-CD1 4.37Å; V662-F680 PolarHBondContact N-O 2.67Å; V662-F680 PolarHBondContact O-N 3.09Å; F680-D682 HydrophobicContact CE1-CB 3.87Å; F680-D682 HydrophobicContact CZ-CB 4.19Å; F680-R724 CarbonylContact C-O 3.5Å; F680-R724 VanDerWaalsContact CA-O 3.28Å; F680-R724 WeakPolarHBondContact CA-O 3.27Å; F680-R724 HydrophobicContact CD2-CB 4.18Å; F680-R724 HydrophobicContact CD2-CG 4.14Å; F680-R724 HydrophobicContact CE2-CG 4.4Å; F680-V726 HydrophobicContact CD2-CG2 4.46Å; F680-V726 HydrophobicContact CE2-CB 4.49Å; F680-V726 HydrophobicContact CE2-CG2 3.62Å; F680-V726 HydrophobicContact CZ-CG2 4.13Å |
| 681 | V | 82.2 | Confident | 71.8 | Confident | 8.66667 Ų | 8.66667 | 67 Ų | 67 | 5% | 0.053 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 126.6 | 179.2 | -173.4 | 0 | 0 | 0 | 0 | 108.8 | T658 R660 L661 L679 A684 R724 L725 V726 | T658-V681 HydrophobicContact CG2-CG1 4.1Å; R660-V681 CarbonylContact O-C 3.48Å; R660-V681 WeakPolarHBondContact O-CA 3.21Å; L661-V681 HydrophobicContact CD1-CG2 4.14Å; L661-V681 HydrophobicContact CG-CG2 4.13Å; L679-V681 HydrophobicContact CD2-CG2 3.71Å; L679-V681 HydrophobicContact CG-CG2 4.3Å; V681-A684 HydrophobicContact CG1-CB 3.75Å; V681-R724 PolarHBondContact N-O 3.12Å; V681-L725 HydrophobicContact CB-CD2 3.82Å; V681-L725 HydrophobicContact CB-CG 4.26Å; V681-L725 HydrophobicContact CG1-CD2 4.1Å; V681-L725 HydrophobicContact CG2-CD2 4.13Å; V681-L725 HydrophobicContact CG2-CG 4.42Å; V681-L725 CarbonylContact O-C 3.53Å; V681-L725 WeakPolarHBondContact O-CA 3.29Å; V681-V726 PolarHBondContact O-N 3.11Å |
| 682 | D | 82.1 | Confident | 72.8 | Confident | 29.6667 Ų | 29.6667 | 66.8 Ų | 66.8 | 16% | 0.159 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 131.6 | 178.5 | -171.3 | 26.7 | 0 | 0 | 0 | 110.6 | R659 R660 F680 A684 | R659-D682 PolarHBondContact N-O 3.08Å; R659-D682 VanDerWaalsContact N-O 3.1Å; R659-D682 IonicContact NH1-OD2 2.79Å; R660-D682 HydrophobicContact CB-CB 4.02Å; R660-D682 PolarHBondContact N-O 3.05Å; R660-D682 PolarHBondContact O-N 3Å; F680-D682 HydrophobicContact CE1-CB 3.87Å; F680-D682 HydrophobicContact CZ-CB 4.19Å; D682-A684 PolarHBondContact O-N 2.86Å |
| 683 | C | 81.1 | Confident | 73.7 | Confident | 41.6667 Ų | 41.6667 | 60 Ų | 60 | 28% | 0.282 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 52.3 | 55.6 | 178.3 | -65.6 | 0 | 0 | 0 | 0 | 114.1 | T658 R659 R685 V726 Y727 | T658-C683 WeakPolarHBondContact CA-O 3.45Å; R659-C683 HydrophobicContact CB-CB 3.82Å; R659-C683 PolarHBondContact N-O 2.85Å; C683-R685 PolarHBondContact O-N 3.02Å; C683-V726 PolarHBondContact N-O 3.22Å; C683-Y727 VanDerWaalsContact CA-O 3.32Å; C683-Y727 WeakPolarHBondContact CA-O 3.24Å |
| 684 | A | 79.9 | Confident | 74.6 | Confident | 8.33333 Ų | 8.33333 | 56.5 Ų | 56.5 | 7% | 0.069 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 119.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A657 T658 V681 D682 L725 S728 F729 | A657-A684 CarbonylContact O-C 3.53Å; A657-A684 VanDerWaalsContact O-CA 3.27Å; A657-A684 WeakPolarHBondContact O-CA 3.21Å; T658-A684 HydrophobicContact CG2-CB 3.83Å; V681-A684 HydrophobicContact CG1-CB 3.75Å; D682-A684 PolarHBondContact O-N 2.86Å; A684-L725 HydrophobicContact CB-CD2 4.41Å; A684-S728 CarbonylContact O-C 3.56Å; A684-S728 VanDerWaalsContact O-CA 3.22Å; A684-S728 WeakPolarHBondContact O-CA 3.17Å; A684-S728 WeakPolarHBondContact O-CB 3.17Å; A684-F729 PolarHBondContact O-N 3.33Å |
| 685 | R | 78.7 | Confident | 75.2 | Confident | 120 Ų | 120 | 50.4 Ų | 50.4 | 45% | 0.453 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 126.3 | 170.8 | -143.2 | 177.7 | -174.6 | 164.5 | 0.4 | 109.2 | L656 A657 C683 F729 | L656-R685 CarbonylContact C-O 3.5Å; L656-R685 VanDerWaalsContact CA-O 3.24Å; L656-R685 WeakPolarHBondContact CA-O 3.38Å; A657-R685 HydrophobicContact CB-CB 4.39Å; A657-R685 PolarHBondContact N-O 3.25Å; A657-R685 PolarHBondContact O-N 2.79Å; C683-R685 PolarHBondContact O-N 3.02Å; R685-F729 CarbonylContact C-O 3.52Å; R685-F729 WeakPolarHBondContact CA-O 3.34Å; R685-F729 HydrophobicContact CB-CD2 3.93Å; R685-F729 HydrophobicContact CG-CB 4.33Å; R685-F729 HydrophobicContact CG-CD2 4.21Å |
| 686 | V | 80 | Confident | 75.3 | Confident | 32 Ų | 32 | 51.8 Ų | 51.8 | 19% | 0.194 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 119.4 | 179.2 | -172.3 | 0 | 0 | 0 | 0 | 108.2 | S655 L656 I688 F729 V730 Q731 | S655-V686 CarbonylContact O-C 3.54Å; S655-V686 VanDerWaalsContact O-CA 3.3Å; S655-V686 WeakPolarHBondContact O-CA 3.34Å; L656-V686 HydrophobicContact CD1-CG1 4.36Å; L656-V686 HydrophobicContact CD1-CG2 3.73Å; L656-V686 HydrophobicContact CG-CG2 4.27Å; V686-I688 HydrophobicContact CG1-CD1 3.57Å; V686-I688 HydrophobicContact CG1-CG1 3.61Å; V686-F729 PolarHBondContact N-O 3.03Å; V686-V730 HydrophobicContact CB-CB 4.48Å; V686-V730 HydrophobicContact CB-CG1 4.42Å; V686-V730 HydrophobicContact CB-CG2 4.22Å; V686-V730 HydrophobicContact CG1-CG1 4.31Å; V686-V730 HydrophobicContact CG2-CG2 4.15Å; V686-V730 CarbonylContact O-C 3.49Å; V686-V730 VanDerWaalsContact O-CA 3.31Å; V686-V730 WeakPolarHBondContact O-CA 3.34Å; V686-Q731 PolarHBondContact O-N 3.04Å |
| 687 | C | 77.3 | Confident | 74.9 | Confident | 22 Ų | 22 | 52.4 Ų | 52.4 | 15% | 0.149 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 124.8 | 171.4 | -57.9 | 0 | 0 | 0 | 0 | 107.8 | M653 V654 S655 Q731 | M653-C687 CarbonylContact O-C 3.46Å; M653-C687 WeakPolarHBondContact O-CB 3.34Å; V654-C687 WeakPolarHBondContact CA-O 3.41Å; V654-C687 WeakPolarHBondContact O-CB 3.44Å; S655-C687 PolarHBondContact N-O 3.24Å; S655-C687 PolarHBondContact O-N 2.96Å; C687-Q731 WeakPolarHBondContact CA-O 3.34Å; C687-Q731 PolarHBondContact SG-OE1 3.24Å; C687-Q731 VanDerWaalsContact SG-OE1 3.36Å |
| 688 | I | 76.3 | Confident | 74.2 | Confident | 36.3333 Ų | 36.3333 | 52.3 Ų | 52.3 | 19% | 0.186 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 140.2 | -178.3 | -48.4 | 176.7 | 0 | 0 | 0 | 108.4 | M653 V686 D692 F693 Q731 V732 G733 | M653-I688 PolarHBondContact O-N 3.39Å; V686-I688 HydrophobicContact CG1-CD1 3.57Å; V686-I688 HydrophobicContact CG1-CG1 3.61Å; I688-D692 HydrophobicContact CG2-CB 3.6Å; I688-F693 HydrophobicContact CB-CB 4.45Å; I688-F693 HydrophobicContact CD1-CD2 4.31Å; I688-F693 HydrophobicContact CG2-CB 4.02Å; I688-F693 VanDerWaalsContact CG2-N 3.35Å; I688-Q731 PolarHBondContact N-O 3.06Å; I688-V732 CarbonylContact O-C 3.39Å; I688-V732 VanDerWaalsContact O-CA 3.29Å; I688-V732 WeakPolarHBondContact O-CA 3.36Å; I688-G733 PolarHBondContact O-N 2.92Å |
| 689 | D | 76.1 | Confident | 73.2 | Confident | 70 Ų | 70 | 52.8 Ų | 52.8 | 37% | 0.374 | 28% | 0.283 | S | S | . | . | trans | -74.7 | 160.7 | 171.5 | -163.9 | 13.4 | 0 | 0 | 0 | 111.8 | E691 D692 F693 | D689-E691 VanDerWaalsContact C-N 3.34Å; D689-E691 PolarHBondContact O-N 3.07Å; D689-D692 PolarHBondContact O-N 3.31Å; D689-F693 WeakPolarHBondContact O-CB 3.37Å; D689-F693 PolarHBondContact O-N 3.23Å | ||
| 690 | Y | 72.1 | Confident | 71.8 | Confident | 50 Ų | 50 | 54 Ų | 54 | 20% | 0.196 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56 | -46.5 | -175.2 | -178.5 | -112.9 | 0 | 0 | 0 | 112.8 | F693 L694 G733 L734 P735 L833 A836 | Y690-F693 PolarHBondContact O-N 3.03Å; Y690-L694 HydrophobicContact CD1-CD1 3.77Å; Y690-L694 HydrophobicContact CD2-CD1 4.36Å; Y690-L694 HydrophobicContact CE1-CD1 3.67Å; Y690-L694 HydrophobicContact CE2-CD1 3.94Å; Y690-L694 HydrophobicContact CG-CD1 4.26Å; Y690-L694 PolarHBondContact O-N 3.19Å; Y690-L694 VanDerWaalsContact O-N 3.12Å; Y690-G733 VanDerWaalsContact CA-O 3.29Å; Y690-G733 WeakPolarHBondContact CA-O 3.36Å; Y690-G733 WeakPolarHBondContact CB-O 3.33Å; Y690-G733 PolarHBondContact N-O 3.25Å; Y690-G733 VanDerWaalsContact N-O 3.12Å; Y690-L734 HydrophobicContact CD2-CD2 3.72Å; Y690-L734 HydrophobicContact CE2-CD2 3.99Å; Y690-L734 HydrophobicContact CG-CD2 4.44Å; Y690-P735 HydrophobicContact CD1-CG 4.03Å; Y690-P735 HydrophobicContact CE1-CG 4.39Å; Y690-P735 HydrophobicContact CG-CG 4.29Å; Y690-L833 HydrophobicContact CE2-CD1 4.22Å; Y690-A836 VanDerWaalsContact OH-CB 3.27Å; Y690-A836 WeakPolarHBondContact OH-CB 3.43Å |
| 691 | E | 69.8 | Low | 70.2 | Confident | 140.667 Ų | 140.667 | 52.2 Ų | 52.2 | 66% | 0.657 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -69.1 | -40 | -177.4 | -65.6 | -122.9 | 156.4 | 0 | 0 | 111.8 | D689 L694 S695 | D689-E691 VanDerWaalsContact C-N 3.34Å; D689-E691 PolarHBondContact O-N 3.07Å; E691-L694 PolarHBondContact O-N 3.24Å; E691-S695 WeakPolarHBondContact O-CB 3.48Å; E691-S695 PolarHBondContact O-N 2.78Å; E691-S695 PolarHBondContact O-OG 2.91Å |
| 692 | D | 69.9 | Low | 68.5 | Low | 58 Ų | 58 | 55.3 Ų | 55.3 | 31% | 0.31 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.6 | -36.9 | 177.1 | -71.3 | -27.4 | 0 | 0 | 0 | 111.4 | I688 D689 L694 S695 C696 | I688-D692 HydrophobicContact CG2-CB 3.6Å; D689-D692 PolarHBondContact O-N 3.31Å; D692-L694 VanDerWaalsContact C-N 3.34Å; D692-L694 PolarHBondContact O-N 2.87Å; D692-S695 WeakPolarHBondContact CA-OG 3.36Å; D692-S695 PolarHBondContact O-N 2.97Å; D692-S695 PolarHBondContact O-OG 3.14Å; D692-C696 VanDerWaalsContact O-CB 3.29Å; D692-C696 WeakPolarHBondContact O-CB 3.2Å; D692-C696 PolarHBondContact O-N 3.01Å |
| 693 | F | 69.7 | Low | 66.6 | Low | 40 Ų | 40 | 59.5 Ų | 59.5 | 18% | 0.175 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 174.1 | 178.8 | -104.2 | 0 | 0 | 0 | 111.8 | I688 D689 Y690 C696 L697 V732 L833 I837 | I688-F693 HydrophobicContact CB-CB 4.45Å; I688-F693 HydrophobicContact CD1-CD2 4.31Å; I688-F693 HydrophobicContact CG2-CB 4.02Å; I688-F693 VanDerWaalsContact CG2-N 3.35Å; D689-F693 WeakPolarHBondContact O-CB 3.37Å; D689-F693 PolarHBondContact O-N 3.23Å; Y690-F693 PolarHBondContact O-N 3.03Å; F693-C696 PolarHBondContact O-N 3.18Å; F693-L697 HydrophobicContact CD1-CD1 3.82Å; F693-L697 HydrophobicContact CE1-CD1 3.34Å; F693-L697 VanDerWaalsContact CE1-CD1 3.46Å; F693-L697 HydrophobicContact CE1-CG 4.4Å; F693-L697 HydrophobicContact CE2-CD1 4.33Å; F693-L697 HydrophobicContact CG-CD1 4.43Å; F693-L697 HydrophobicContact CZ-CD1 3.69Å; F693-L697 HydrophobicContact CZ-CG 4.38Å; F693-L697 PolarHBondContact O-N 2.87Å; F693-V732 HydrophobicContact CB-CG1 4.11Å; F693-V732 HydrophobicContact CD1-CG1 4.28Å; F693-V732 HydrophobicContact CD1-CG2 4.48Å; F693-V732 HydrophobicContact CD2-CG2 4Å; F693-V732 HydrophobicContact CE2-CG2 4.23Å; F693-V732 HydrophobicContact CG-CG1 4.12Å; F693-V732 HydrophobicContact CG-CG2 4.23Å; F693-V732 HydrophobicContact CZ-CG2 4.5Å; F693-L833 HydrophobicContact CE1-CD2 4.01Å; F693-I837 HydrophobicContact CE1-CG1 4.41Å |
| 694 | L | 66.6 | Low | 64.9 | Low | 41.3333 Ų | 41.3333 | 63.2 Ų | 63.2 | 22% | 0.216 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 175.3 | -110.5 | 111.3 | 0 | 0 | 0 | 112 | Y690 E691 D692 C696 L697 T698 A836 | Y690-L694 HydrophobicContact CD1-CD1 3.77Å; Y690-L694 HydrophobicContact CD2-CD1 4.36Å; Y690-L694 HydrophobicContact CE1-CD1 3.67Å; Y690-L694 HydrophobicContact CE2-CD1 3.94Å; Y690-L694 HydrophobicContact CG-CD1 4.26Å; Y690-L694 PolarHBondContact O-N 3.19Å; Y690-L694 VanDerWaalsContact O-N 3.12Å; E691-L694 PolarHBondContact O-N 3.24Å; D692-L694 VanDerWaalsContact C-N 3.34Å; D692-L694 PolarHBondContact O-N 2.87Å; L694-C696 VanDerWaalsContact C-N 3.32Å; L694-C696 PolarHBondContact O-N 3.48Å; L694-L697 WeakPolarHBondContact O-CB 3.28Å; L694-L697 PolarHBondContact O-N 3.04Å; L694-T698 WeakPolarHBondContact O-CG2 3.27Å; L694-T698 PolarHBondContact O-N 2.82Å; L694-T698 PolarHBondContact O-OG1 3.15Å; L694-A836 HydrophobicContact CD1-CB 3.73Å; L694-A836 HydrophobicContact CD2-CB 4.11Å; L694-A836 HydrophobicContact CG-CB 4.46Å |
| 695 | S | 67 | Low | 63.1 | Low | 56.3333 Ų | 56.3333 | 66 Ų | 66 | 39% | 0.394 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 178 | 48.2 | 0 | 0 | 0 | 0 | 111.2 | E691 D692 L697 T698 C699 | E691-S695 WeakPolarHBondContact O-CB 3.48Å; E691-S695 PolarHBondContact O-N 2.78Å; E691-S695 PolarHBondContact O-OG 2.91Å; D692-S695 WeakPolarHBondContact CA-OG 3.36Å; D692-S695 PolarHBondContact O-N 2.97Å; D692-S695 PolarHBondContact O-OG 3.14Å; S695-L697 VanDerWaalsContact C-N 3.32Å; S695-L697 PolarHBondContact O-N 3Å; S695-T698 WeakPolarHBondContact CA-OG1 3.41Å; S695-T698 PolarHBondContact O-N 3.27Å; S695-T698 VanDerWaalsContact O-N 3.1Å; S695-T698 PolarHBondContact O-OG1 3Å; S695-C699 PolarHBondContact O-N 3.23Å; S695-C699 PolarHBondContact O-SG 3.41Å; S695-C699 VanDerWaalsContact O-SG 3.41Å |
| 696 | C | 64.7 | Low | 61.4 | Low | 67.6667 Ų | 67.6667 | 61.5 Ų | 61.5 | 46% | 0.457 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.1 | -44.9 | 174.3 | -132.6 | 0 | 0 | 0 | 0 | 111.7 | D692 F693 L694 T698 C699 V700 | D692-C696 VanDerWaalsContact O-CB 3.29Å; D692-C696 WeakPolarHBondContact O-CB 3.2Å; D692-C696 PolarHBondContact O-N 3.01Å; F693-C696 PolarHBondContact O-N 3.18Å; L694-C696 VanDerWaalsContact C-N 3.32Å; L694-C696 PolarHBondContact O-N 3.48Å; C696-T698 VanDerWaalsContact C-N 3.32Å; C696-T698 PolarHBondContact O-N 2.88Å; C696-C699 WeakPolarHBondContact O-CB 3.28Å; C696-C699 PolarHBondContact O-N 3.12Å; C696-C699 VanDerWaalsContact O-N 3.13Å; C696-V700 WeakPolarHBondContact O-CB 3.5Å; C696-V700 VanDerWaalsContact O-CG2 3.29Å; C696-V700 WeakPolarHBondContact O-CG2 3.09Å; C696-V700 PolarHBondContact O-N 3.04Å |
| 697 | L | 61.4 | Low | 59.5 | Low | 42.6667 Ų | 42.6667 | 65.7 Ų | 65.7 | 22% | 0.223 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.6 | -41.4 | 174.9 | -87.2 | 157.9 | 0 | 0 | 0 | 112.5 | F693 L694 S695 C699 V700 A701 I837 A840 | F693-L697 HydrophobicContact CD1-CD1 3.82Å; F693-L697 HydrophobicContact CE1-CD1 3.34Å; F693-L697 VanDerWaalsContact CE1-CD1 3.46Å; F693-L697 HydrophobicContact CE1-CG 4.4Å; F693-L697 HydrophobicContact CE2-CD1 4.33Å; F693-L697 HydrophobicContact CG-CD1 4.43Å; F693-L697 HydrophobicContact CZ-CD1 3.69Å; F693-L697 HydrophobicContact CZ-CG 4.38Å; F693-L697 PolarHBondContact O-N 2.87Å; L694-L697 WeakPolarHBondContact O-CB 3.28Å; L694-L697 PolarHBondContact O-N 3.04Å; S695-L697 VanDerWaalsContact C-N 3.32Å; S695-L697 PolarHBondContact O-N 3Å; L697-C699 VanDerWaalsContact C-N 3.3Å; L697-C699 PolarHBondContact O-N 3.14Å; L697-V700 PolarHBondContact O-N 3.06Å; L697-A701 VanDerWaalsContact O-CB 3.28Å; L697-A701 WeakPolarHBondContact O-CB 3.15Å; L697-A701 PolarHBondContact O-N 3.16Å; L697-I837 HydrophobicContact CD1-CG1 3.96Å; L697-I837 HydrophobicContact CD2-CG2 4.27Å; L697-A840 HydrophobicContact CB-CB 4.1Å |
| 698 | T | 58.9 | Low | 57.9 | Low | 55 Ų | 55 | 68.8 Ų | 68.8 | 34% | 0.337 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67.4 | -28.7 | 176.3 | 55.4 | 0 | 0 | 0 | 0 | 113.4 | L694 S695 C696 P702 A840 | L694-T698 WeakPolarHBondContact O-CG2 3.27Å; L694-T698 PolarHBondContact O-N 2.82Å; L694-T698 PolarHBondContact O-OG1 3.15Å; S695-T698 WeakPolarHBondContact CA-OG1 3.41Å; S695-T698 PolarHBondContact O-N 3.27Å; S695-T698 VanDerWaalsContact O-N 3.1Å; S695-T698 PolarHBondContact O-OG1 3Å; C696-T698 VanDerWaalsContact C-N 3.32Å; C696-T698 PolarHBondContact O-N 2.88Å; T698-P702 WeakPolarHBondContact O-CD 3.27Å; T698-P702 WeakPolarHBondContact O-CG 3.46Å; T698-A840 HydrophobicContact CG2-CB 3.73Å |
| 699 | C | 55.9 | Low | 56.1 | Low | 83.6667 Ų | 83.6667 | 75.1 Ų | 75.1 | 57% | 0.565 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -77.8 | -33.5 | 174.3 | -71.9 | 0 | 0 | 0 | 0 | 112.6 | S695 C696 L697 P702 | S695-C699 PolarHBondContact O-N 3.23Å; S695-C699 PolarHBondContact O-SG 3.41Å; S695-C699 VanDerWaalsContact O-SG 3.41Å; C696-C699 WeakPolarHBondContact O-CB 3.28Å; C696-C699 PolarHBondContact O-N 3.12Å; C696-C699 VanDerWaalsContact O-N 3.13Å; L697-C699 VanDerWaalsContact C-N 3.3Å; L697-C699 PolarHBondContact O-N 3.14Å; C699-P702 VanDerWaalsContact O-CD 3.32Å; C699-P702 WeakPolarHBondContact O-CD 3.34Å; C699-P702 WeakPolarHBondContact O-CG 3.29Å |
| 700 | V | 53.9 | Low | 54.1 | Low | 66 Ų | 66 | 77.2 Ų | 77.2 | 40% | 0.4 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -77.7 | -33.4 | -179.9 | 175 | 0 | 0 | 0 | 0 | 112.1 | C696 L697 L703 L704 | C696-V700 WeakPolarHBondContact O-CB 3.5Å; C696-V700 VanDerWaalsContact O-CG2 3.29Å; C696-V700 WeakPolarHBondContact O-CG2 3.09Å; C696-V700 PolarHBondContact O-N 3.04Å; L697-V700 PolarHBondContact O-N 3.06Å; V700-L703 WeakPolarHBondContact O-CB 3.34Å; V700-L703 PolarHBondContact O-N 2.88Å; V700-L703 VanDerWaalsContact O-N 3.13Å; V700-L704 HydrophobicContact CG1-CD1 3.72Å; V700-L704 HydrophobicContact CG1-CG 4.16Å; V700-L704 PolarHBondContact O-N 2.99Å; V700-L704 VanDerWaalsContact O-N 3.13Å |
| 701 | A | 49.5 | Very low | 52.5 | Low | 25.3333 Ų | 25.3333 | 80.1 Ų | 80.1 | 21% | 0.209 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -55.2 | -46.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L697 L703 L704 S705 V841 | L697-A701 VanDerWaalsContact O-CB 3.28Å; L697-A701 WeakPolarHBondContact O-CB 3.15Å; L697-A701 PolarHBondContact O-N 3.16Å; A701-L703 VanDerWaalsContact C-N 3.34Å; A701-L703 PolarHBondContact O-N 2.93Å; A701-L704 PolarHBondContact O-N 2.91Å; A701-S705 WeakPolarHBondContact O-CB 3.14Å; A701-S705 PolarHBondContact O-N 3.42Å; A701-S705 PolarHBondContact O-OG 3.05Å; A701-V841 HydrophobicContact CB-CG2 4.06Å |
| 702 | P | 47.6 | Very low | 51.1 | Low | 75.3333 Ų | 75.3333 | 82.4 Ų | 82.4 | 49% | 0.489 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.4 | -31.1 | 174.6 | 8.7 | -10.7 | 0 | 0 | 0 | 113.2 | T698 C699 L704 S705 G706 | T698-P702 WeakPolarHBondContact O-CD 3.27Å; T698-P702 WeakPolarHBondContact O-CG 3.46Å; C699-P702 VanDerWaalsContact O-CD 3.32Å; C699-P702 WeakPolarHBondContact O-CD 3.34Å; C699-P702 WeakPolarHBondContact O-CG 3.29Å; P702-L704 VanDerWaalsContact C-N 3.31Å; P702-S705 WeakPolarHBondContact CA-OG 3.45Å; P702-S705 CarbonylContact O-C 3.5Å; P702-S705 WeakPolarHBondContact O-CB 3.38Å; P702-S705 PolarHBondContact O-N 2.97Å; P702-S705 PolarHBondContact O-OG 3.34Å; P702-G706 WeakPolarHBondContact O-CA 3.37Å; P702-G706 PolarHBondContact O-N 3.12Å |
| 703 | L | 43.1 | Very low | 49.5 | Very low | 117 Ų | 117 | 83.1 Ų | 83.1 | 61% | 0.613 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -66 | -40.3 | 174.5 | -77.3 | 164.1 | 0 | 0 | 0 | 111.7 | V700 A701 S705 G706 Y707 | V700-L703 WeakPolarHBondContact O-CB 3.34Å; V700-L703 PolarHBondContact O-N 2.88Å; V700-L703 VanDerWaalsContact O-N 3.13Å; A701-L703 VanDerWaalsContact C-N 3.34Å; A701-L703 PolarHBondContact O-N 2.93Å; L703-S705 VanDerWaalsContact C-N 3.3Å; L703-S705 PolarHBondContact O-N 3.49Å; L703-G706 PolarHBondContact O-N 3.25Å; L703-Y707 WeakPolarHBondContact O-CB 3.28Å; L703-Y707 PolarHBondContact O-N 3.1Å |
| 704 | L | 43.6 | Very low | 48 | Very low | 120.333 Ų | 120.333 | 89.5 Ų | 89.5 | 63% | 0.63 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -71.1 | -39.5 | 175.1 | -74.9 | 165.3 | 0 | 0 | 0 | 112.4 | V700 A701 P702 G706 Y707 T708 | V700-L704 HydrophobicContact CG1-CD1 3.72Å; V700-L704 HydrophobicContact CG1-CG 4.16Å; V700-L704 PolarHBondContact O-N 2.99Å; V700-L704 VanDerWaalsContact O-N 3.13Å; A701-L704 PolarHBondContact O-N 2.91Å; P702-L704 VanDerWaalsContact C-N 3.31Å; L704-G706 VanDerWaalsContact C-N 3.35Å; L704-Y707 WeakPolarHBondContact O-CB 3.32Å; L704-Y707 PolarHBondContact O-N 3.12Å; L704-T708 WeakPolarHBondContact O-CG2 3.4Å; L704-T708 PolarHBondContact O-N 3.4Å; L704-T708 PolarHBondContact O-OG1 3.17Å; L704-T708 VanDerWaalsContact O-OG1 3.06Å |
| 705 | S | 43.7 | Very low | 46.7 | Very low | 66.3333 Ų | 66.3333 | 89.5 Ų | 89.5 | 46% | 0.464 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -72.8 | -34.3 | 176.8 | 76.3 | 0 | 0 | 0 | 0 | 112.5 | A701 P702 L703 Y707 T708 K709 | A701-S705 WeakPolarHBondContact O-CB 3.14Å; A701-S705 PolarHBondContact O-N 3.42Å; A701-S705 PolarHBondContact O-OG 3.05Å; P702-S705 WeakPolarHBondContact CA-OG 3.45Å; P702-S705 CarbonylContact O-C 3.5Å; P702-S705 WeakPolarHBondContact O-CB 3.38Å; P702-S705 PolarHBondContact O-N 2.97Å; P702-S705 PolarHBondContact O-OG 3.34Å; L703-S705 VanDerWaalsContact C-N 3.3Å; L703-S705 PolarHBondContact O-N 3.49Å; S705-Y707 VanDerWaalsContact C-N 3.3Å; S705-Y707 PolarHBondContact O-N 3.43Å; S705-T708 WeakPolarHBondContact CA-OG1 3.2Å; S705-T708 PolarHBondContact O-N 2.96Å; S705-T708 VanDerWaalsContact O-N 3.11Å; S705-T708 PolarHBondContact O-OG1 3.24Å; S705-K709 WeakPolarHBondContact O-CB 3.41Å; S705-K709 WeakPolarHBondContact O-CG 3.44Å; S705-K709 PolarHBondContact O-N 3.14Å |
| 706 | G | 42.5 | Very low | 45.5 | Very low | 26.3333 Ų | 26.3333 | 90.9 Ų | 90.9 | 27% | 0.271 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.6 | -27.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | P702 L703 L704 T708 K709 M710 | P702-G706 WeakPolarHBondContact O-CA 3.37Å; P702-G706 PolarHBondContact O-N 3.12Å; L703-G706 PolarHBondContact O-N 3.25Å; L704-G706 VanDerWaalsContact C-N 3.35Å; G706-T708 PolarHBondContact O-N 3.36Å; G706-K709 PolarHBondContact O-N 2.86Å; G706-K709 VanDerWaalsContact O-N 3.09Å; G706-M710 WeakPolarHBondContact O-CB 3.3Å; G706-M710 PolarHBondContact O-N 2.94Å |
| 707 | Y | 40.8 | Very low | 44.5 | Very low | 118.667 Ų | 118.667 | 94.2 Ų | 94.2 | 47% | 0.465 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.7 | -27.7 | 176.8 | -143.4 | -93.1 | 0 | 0 | 0 | 113.2 | L703 L704 S705 M710 N711 L717 | L703-Y707 WeakPolarHBondContact O-CB 3.28Å; L703-Y707 PolarHBondContact O-N 3.1Å; L704-Y707 WeakPolarHBondContact O-CB 3.32Å; L704-Y707 PolarHBondContact O-N 3.12Å; S705-Y707 VanDerWaalsContact C-N 3.3Å; S705-Y707 PolarHBondContact O-N 3.43Å; Y707-M710 PolarHBondContact O-N 2.98Å; Y707-N711 WeakPolarHBondContact CE1-ND2 3.41Å; Y707-N711 WeakPolarHBondContact O-CB 3.27Å; Y707-N711 PolarHBondContact O-N 2.98Å; Y707-L717 HydrophobicContact CE2-CB 4.3Å; Y707-L717 PolarHBondContact OH-O 3.32Å |
| 708 | T | 41.9 | Very low | 43.8 | Very low | 87 Ų | 87 | 95.5 Ų | 95.5 | 53% | 0.534 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -85.8 | -25.5 | 176.8 | 60.4 | 0 | 0 | 0 | 0 | 114 | L704 S705 G706 N711 Q712 K856 | L704-T708 WeakPolarHBondContact O-CG2 3.4Å; L704-T708 PolarHBondContact O-N 3.4Å; L704-T708 PolarHBondContact O-OG1 3.17Å; L704-T708 VanDerWaalsContact O-OG1 3.06Å; S705-T708 WeakPolarHBondContact CA-OG1 3.2Å; S705-T708 PolarHBondContact O-N 2.96Å; S705-T708 VanDerWaalsContact O-N 3.11Å; S705-T708 PolarHBondContact O-OG1 3.24Å; G706-T708 PolarHBondContact O-N 3.36Å; T708-N711 PolarHBondContact O-N 3.4Å; T708-Q712 WeakPolarHBondContact O-CG 3.41Å; T708-Q712 PolarHBondContact O-N 2.67Å; T708-K856 VanDerWaalsContact CB-NZ 3.34Å; T708-K856 PolarHBondContact OG1-NZ 2.83Å; T708-K856 VanDerWaalsContact OG1-NZ 3.13Å |
| 709 | K | 39.5 | Very low | 43.6 | Very low | 169 Ų | 169 | 93.6 Ų | 93.6 | 74% | 0.735 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -86.7 | -29.1 | 172.1 | -78.5 | -175.9 | 176.6 | -179 | 0 | 112.8 | S705 G706 N711 Q712 S713 | S705-K709 WeakPolarHBondContact O-CB 3.41Å; S705-K709 WeakPolarHBondContact O-CG 3.44Å; S705-K709 PolarHBondContact O-N 3.14Å; G706-K709 PolarHBondContact O-N 2.86Å; G706-K709 VanDerWaalsContact O-N 3.09Å; K709-N711 PolarHBondContact O-N 3.09Å; K709-N711 VanDerWaalsContact O-N 3.15Å; K709-Q712 PolarHBondContact O-N 3.46Å; K709-S713 VanDerWaalsContact O-CB 3.28Å; K709-S713 WeakPolarHBondContact O-CB 3.37Å; K709-S713 PolarHBondContact O-N 3.38Å; K709-S713 PolarHBondContact O-OG 3.14Å; K709-S713 VanDerWaalsContact O-OG 3.13Å |
| 710 | M | 34.9 | Very low | 43.8 | Very low | 115.333 Ų | 115.333 | 91.1 Ų | 91.1 | 57% | 0.568 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -70.2 | -12.8 | 175.8 | -93.2 | -167.8 | 169.4 | 0 | 0 | 113.9 | G706 Y707 Q712 S713 K714 | G706-M710 WeakPolarHBondContact O-CB 3.3Å; G706-M710 PolarHBondContact O-N 2.94Å; Y707-M710 PolarHBondContact O-N 2.98Å; M710-Q712 VanDerWaalsContact C-N 3.3Å; M710-Q712 PolarHBondContact O-N 3.05Å; M710-S713 WeakPolarHBondContact CA-OG 3.21Å; M710-S713 PolarHBondContact O-N 2.92Å; M710-S713 PolarHBondContact O-OG 2.97Å; M710-K714 PolarHBondContact O-N 3.49Å |
| 711 | N | 38.3 | Very low | 44.6 | Very low | 111 Ų | 111 | 90.9 Ų | 90.9 | 59% | 0.594 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -65.4 | -8.8 | 176 | -94.7 | -15.4 | 0 | 0 | 0 | 114.4 | Y707 T708 K709 | Y707-N711 WeakPolarHBondContact CE1-ND2 3.41Å; Y707-N711 WeakPolarHBondContact O-CB 3.27Å; Y707-N711 PolarHBondContact O-N 2.98Å; T708-N711 PolarHBondContact O-N 3.4Å; K709-N711 PolarHBondContact O-N 3.09Å; K709-N711 VanDerWaalsContact O-N 3.15Å |
| 712 | Q | 39.6 | Very low | 46.1 | Very low | 188 Ų | 188 | 91 Ų | 91 | 88% | 0.879 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -99.4 | -15.4 | 172.9 | -72.2 | -176.8 | -6.4 | 0 | 0 | 113.8 | T708 K709 M710 | T708-Q712 WeakPolarHBondContact O-CG 3.41Å; T708-Q712 PolarHBondContact O-N 2.67Å; K709-Q712 PolarHBondContact O-N 3.46Å; M710-Q712 VanDerWaalsContact C-N 3.3Å; M710-Q712 PolarHBondContact O-N 3.05Å |
| 713 | S | 36.4 | Very low | 47.8 | Very low | 72 Ų | 72 | 89 Ų | 89 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -115.3 | 79.1 | -176.8 | 65.8 | 0 | 0 | 0 | 0 | 113.2 | K709 M710 G715 | K709-S713 VanDerWaalsContact O-CB 3.28Å; K709-S713 WeakPolarHBondContact O-CB 3.37Å; K709-S713 PolarHBondContact O-N 3.38Å; K709-S713 PolarHBondContact O-OG 3.14Å; K709-S713 VanDerWaalsContact O-OG 3.13Å; M710-S713 WeakPolarHBondContact CA-OG 3.21Å; M710-S713 PolarHBondContact O-N 2.92Å; M710-S713 PolarHBondContact O-OG 2.97Å; S713-G715 PolarHBondContact O-N 3.27Å |
| 714 | K | 38.9 | Very low | 49.8 | Very low | 174.333 Ų | 174.333 | 89.7 Ų | 89.7 | 76% | 0.758 | 49% | 0.485 | S | S | * | . | trans | -73.9 | 116 | 177.1 | -75.8 | 163.3 | -178.9 | -176.5 | 0 | 110.4 | M710 | M710-K714 PolarHBondContact O-N 3.49Š| ||
| 715 | G | 39.5 | Very low | 51.6 | Low | 42 Ų | 42 | 86.4 Ų | 86.4 | 43% | 0.433 | 47% | 0.468 | S | S | . | . | trans | -90.2 | 121.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S713 L717 L718 | S713-G715 PolarHBondContact O-N 3.27Å; G715-L717 VanDerWaalsContact C-N 3.26Å; G715-L717 PolarHBondContact O-N 3.02Å; G715-L718 WeakPolarHBondContact O-CB 3.49Å; G715-L718 PolarHBondContact O-N 2.86Å; G715-L718 VanDerWaalsContact O-N 3.14Å | ||
| 716 | A | 41.6 | Very low | 53.4 | Low | 85 Ų | 85 | 84 Ų | 84 | 70% | 0.702 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -30.5 | 7.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | L718 | A716-L718 VanDerWaalsContact C-N 3.31Å; A716-L718 PolarHBondContact O-N 3.2Å |
| 717 | L | 42.6 | Very low | 55.2 | Low | 138.333 Ų | 138.333 | 88.2 Ų | 88.2 | 72% | 0.724 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -75.9 | -11.4 | -179.3 | -89.2 | 152.3 | 0 | 0 | 0 | 113.6 | S675 Y707 G715 G719 C720 | S675-L717 PolarHBondContact OG-O 3.19Å; Y707-L717 HydrophobicContact CE2-CB 4.3Å; Y707-L717 PolarHBondContact OH-O 3.32Å; G715-L717 VanDerWaalsContact C-N 3.26Å; G715-L717 PolarHBondContact O-N 3.02Å; L717-G719 PolarHBondContact O-N 2.87Å; L717-C720 PolarHBondContact O-N 3.42Å |
| 718 | L | 47.7 | Very low | 57.1 | Low | 69 Ų | 69 | 82.8 Ų | 82.8 | 36% | 0.361 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -87.4 | 22.6 | 178.4 | -84.4 | 152.6 | 0 | 0 | 0 | 113.3 | S675 M677 G715 A716 C720 K751 | S675-L718 WeakPolarHBondContact OG-CA 3.34Å; M677-L718 HydrophobicContact CB-CD1 3.81Å; M677-L718 HydrophobicContact CB-CD2 3.94Å; M677-L718 HydrophobicContact CB-CG 4.48Å; M677-L718 HydrophobicContact SD-CD1 3.92Å; G715-L718 WeakPolarHBondContact O-CB 3.49Å; G715-L718 PolarHBondContact O-N 2.86Å; G715-L718 VanDerWaalsContact O-N 3.14Å; A716-L718 VanDerWaalsContact C-N 3.31Å; A716-L718 PolarHBondContact O-N 3.2Å; L718-C720 VanDerWaalsContact C-N 3.31Å; L718-K751 PolarHBondContact O-NZ 3.46Å; L718-K751 VanDerWaalsContact O-NZ 3.12Å |
| 719 | G | 54.5 | Low | 58.9 | Low | 14.6667 Ų | 14.6667 | 80.3 Ų | 80.3 | 15% | 0.151 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -83.6 | -16.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S675 S676 M677 L717 M721 | S675-G719 VanDerWaalsContact O-CA 3.25Å; S675-G719 WeakPolarHBondContact O-CA 3.32Å; S675-G719 PolarHBondContact O-N 3.35Å; S676-G719 WeakPolarHBondContact CA-O 3.4Å; M677-G719 PolarHBondContact N-O 2.97Å; M677-G719 VanDerWaalsContact N-O 3.13Å; L717-G719 PolarHBondContact O-N 2.87Å; G719-M721 PolarHBondContact O-N 2.68Å; G719-M721 VanDerWaalsContact O-N 3.07Å |
| 720 | C | 60 | Low | 60.9 | Low | 32.6667 Ų | 32.6667 | 73.8 Ų | 73.8 | 22% | 0.221 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 116.6 | 177.2 | -132.9 | 0 | 0 | 0 | 0 | 110.9 | S675 S676 M677 L717 L718 V723 K751 K752 | S675-C720 PolarHBondContact O-N 2.91Å; S675-C720 VanDerWaalsContact O-N 3.15Å; S676-C720 WeakPolarHBondContact CA-O 3.27Å; M677-C720 PolarHBondContact N-O 3Å; M677-C720 VanDerWaalsContact N-O 3.17Å; L717-C720 PolarHBondContact O-N 3.42Å; L718-C720 VanDerWaalsContact C-N 3.31Å; C720-V723 VanDerWaalsContact SG-CG2 3.54Å; C720-V723 WeakPolarHBondContact SG-CG2 3.34Å; C720-K751 CarbonylContact C-O 3.59Å; C720-K751 WeakPolarHBondContact CA-O 3.35Å; C720-K752 PolarHBondContact SG-O 3.2Å |
| 721 | M | 70.4 | Confident | 63 | Low | 61 Ų | 61 | 69.2 Ų | 69.2 | 30% | 0.3 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | -7.3 | -178.9 | -100.3 | -97.8 | -49.2 | 0 | 0 | 110.6 | M677 G719 V723 F749 V750 K751 | M677-M721 HydrophobicContact CB-CG 4.45Å; M677-M721 CarbonylContact O-C 3.57Å; M677-M721 WeakPolarHBondContact O-CA 3.29Å; M677-M721 PolarHBondContact O-N 3.03Å; G719-M721 PolarHBondContact O-N 2.68Å; G719-M721 VanDerWaalsContact O-N 3.07Å; M721-V723 HydrophobicContact CG-CG2 4.27Å; M721-F749 HydrophobicContact CE-CD1 3.79Å; M721-F749 HydrophobicContact CE-CE1 3.42Å; M721-F749 VanDerWaalsContact CE-CE1 3.42Å; M721-F749 HydrophobicContact CE-CZ 4.48Å; M721-V750 CarbonylContact O-C 3.49Å; M721-V750 VanDerWaalsContact O-CA 3.31Å; M721-V750 WeakPolarHBondContact O-CA 3.35Å; M721-K751 HydrophobicContact CB-CB 4.42Å; M721-K751 WeakPolarHBondContact CE-O 3.43Å; M721-K751 PolarHBondContact N-O 2.78Å; M721-K751 PolarHBondContact O-N 2.9Å; M721-K751 HydrophobicContact SD-CB 4.31Å; M721-K751 HydrophobicContact SD-CD 4.44Å; M721-K751 HydrophobicContact SD-CG 4.4Å |
| 722 | S | 81.4 | Confident | 64.9 | Low | 26.6667 Ų | 26.6667 | 64 Ų | 64 | 19% | 0.186 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 139 | 172.4 | 102.8 | 0 | 0 | 0 | 0 | 112 | M677 E678 L679 F749 | M677-S722 PolarHBondContact O-N 3.22Å; M677-S722 VanDerWaalsContact O-N 3.15Å; E678-S722 CarbonylContact C-O 3.53Å; E678-S722 VanDerWaalsContact CA-O 3.22Å; E678-S722 WeakPolarHBondContact CA-O 3.27Å; E678-S722 WeakPolarHBondContact CA-OG 3.38Å; E678-S722 VanDerWaalsContact CB-OG 3.26Å; E678-S722 WeakPolarHBondContact CB-OG 3.33Å; E678-S722 VanDerWaalsContact CG-OG 3.27Å; E678-S722 WeakPolarHBondContact CG-OG 3.36Å; L679-S722 PolarHBondContact N-O 2.96Å; S722-F749 CarbonylContact C-O 3.57Å; S722-F749 WeakPolarHBondContact CA-O 3.39Å |
| 723 | V | 82.8 | Confident | 66.6 | Low | 35.3333 Ų | 35.3333 | 55.4 Ų | 55.4 | 21% | 0.214 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 132.3 | 170.3 | 178.1 | 0 | 0 | 0 | 0 | 106.9 | L679 C720 M721 L725 Y748 F749 | L679-V723 HydrophobicContact CB-CB 4.46Å; L679-V723 HydrophobicContact CB-CG1 4.39Å; L679-V723 HydrophobicContact CB-CG2 4.24Å; L679-V723 HydrophobicContact CD2-CG1 4.01Å; L679-V723 HydrophobicContact CG-CG1 4.44Å; L679-V723 CarbonylContact O-C 3.56Å; L679-V723 VanDerWaalsContact O-CA 3.31Å; L679-V723 WeakPolarHBondContact O-CA 3.37Å; C720-V723 VanDerWaalsContact SG-CG2 3.54Å; C720-V723 WeakPolarHBondContact SG-CG2 3.34Å; M721-V723 HydrophobicContact CG-CG2 4.27Å; V723-L725 HydrophobicContact CG1-CD1 4.29Å; V723-Y748 CarbonylContact O-C 3.5Å; V723-Y748 WeakPolarHBondContact O-CA 3.46Å; V723-F749 HydrophobicContact CB-CB 4.38Å; V723-F749 PolarHBondContact N-O 3.04Å; V723-F749 PolarHBondContact O-N 3.04Å |
| 724 | R | 84.1 | Confident | 68.2 | Low | 130 Ų | 130 | 53 Ų | 53 | 49% | 0.491 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 121.4 | 178.6 | -173.6 | 173.8 | -176.7 | 179.4 | 1.3 | 109.6 | L679 F680 V681 V726 I747 | L679-R724 PolarHBondContact O-N 3.06Å; F680-R724 CarbonylContact C-O 3.5Å; F680-R724 VanDerWaalsContact CA-O 3.28Å; F680-R724 WeakPolarHBondContact CA-O 3.27Å; F680-R724 HydrophobicContact CD2-CB 4.18Å; F680-R724 HydrophobicContact CD2-CG 4.14Å; F680-R724 HydrophobicContact CE2-CG 4.4Å; V681-R724 PolarHBondContact N-O 3.12Å; R724-V726 HydrophobicContact CG-CG2 4.08Å; R724-I747 CarbonylContact C-O 3.28Å; R724-I747 VanDerWaalsContact CA-O 3.31Å; R724-I747 WeakPolarHBondContact CA-O 3.43Å |
| 725 | L | 82.5 | Confident | 69.4 | Low | 51 Ų | 51 | 48.1 Ų | 48.1 | 27% | 0.267 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 131.2 | 174.7 | -71.3 | 130.5 | 0 | 0 | 0 | 108.5 | V681 A684 V723 C746 I747 | V681-L725 HydrophobicContact CB-CD2 3.82Å; V681-L725 HydrophobicContact CB-CG 4.26Å; V681-L725 HydrophobicContact CG1-CD2 4.1Å; V681-L725 HydrophobicContact CG2-CD2 4.13Å; V681-L725 HydrophobicContact CG2-CG 4.42Å; V681-L725 CarbonylContact O-C 3.53Å; V681-L725 WeakPolarHBondContact O-CA 3.29Å; A684-L725 HydrophobicContact CB-CD2 4.41Å; V723-L725 HydrophobicContact CG1-CD1 4.29Å; L725-C746 CarbonylContact O-C 3.48Å; L725-C746 VanDerWaalsContact O-CA 3.23Å; L725-C746 WeakPolarHBondContact O-CA 3.38Å; L725-I747 HydrophobicContact CB-CB 4.3Å; L725-I747 HydrophobicContact CB-CG1 4.47Å; L725-I747 HydrophobicContact CD1-CB 4.38Å; L725-I747 HydrophobicContact CD1-CD1 4.38Å; L725-I747 PolarHBondContact N-O 3.27Å; L725-I747 PolarHBondContact O-N 3Å; L725-I747 VanDerWaalsContact O-O 3.14Å |
| 726 | V | 81.7 | Confident | 70.7 | Confident | 17.3333 Ų | 17.3333 | 52 Ų | 52 | 11% | 0.105 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 138.1 | -177.3 | -171.5 | 0 | 0 | 0 | 0 | 109.3 | F680 V681 C683 R724 S728 A745 | F680-V726 HydrophobicContact CD2-CG2 4.46Å; F680-V726 HydrophobicContact CE2-CB 4.49Å; F680-V726 HydrophobicContact CE2-CG2 3.62Å; F680-V726 HydrophobicContact CZ-CG2 4.13Å; V681-V726 PolarHBondContact O-N 3.11Å; C683-V726 PolarHBondContact N-O 3.22Å; R724-V726 HydrophobicContact CG-CG2 4.08Å; V726-S728 VanDerWaalsContact C-N 3.27Å; V726-S728 PolarHBondContact O-N 2.95Å; V726-S728 VanDerWaalsContact O-N 3.16Å; V726-S728 PolarHBondContact O-OG 2.99Å; V726-A745 CarbonylContact C-O 3.38Å; V726-A745 WeakPolarHBondContact CA-O 3.19Å; V726-A745 VanDerWaalsContact CG1-O 3.32Å; V726-A745 WeakPolarHBondContact CG1-O 3.1Å |
| 727 | Y | 79.9 | Confident | 71.9 | Confident | 114 Ų | 114 | 54.4 Ų | 54.4 | 45% | 0.447 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 46.8 | 47.4 | -179.3 | -58.6 | -61.4 | 0 | 0 | 0 | 114.6 | C683 F729 F744 A745 F780 | C683-Y727 VanDerWaalsContact CA-O 3.32Å; C683-Y727 WeakPolarHBondContact CA-O 3.24Å; Y727-F729 WeakPolarHBondContact O-CE2 3.22Å; Y727-F729 VanDerWaalsContact O-CZ 3.26Å; Y727-F729 WeakPolarHBondContact O-CZ 3.36Å; Y727-F744 CarbonylContact C-O 3.52Å; Y727-F744 WeakPolarHBondContact CA-O 3.3Å; Y727-F744 PolarHBondContact N-O 3.19Å; Y727-A745 PolarHBondContact N-O 3.04Å; Y727-F780 AromaticContact CD1-CD2 3.92Å; Y727-F780 HydrophobicContact CD1-CD2 3.92Å; Y727-F780 AromaticContact CD1-CE2 3.88Å; Y727-F780 HydrophobicContact CD1-CE2 3.88Å; Y727-F780 HydrophobicContact CE1-CD2 4.02Å; Y727-F780 HydrophobicContact CE1-CE2 4.41Å |
| 728 | S | 81.4 | Confident | 73.2 | Confident | 5.33333 Ų | 5.33333 | 50.3 Ų | 50.3 | 4% | 0.037 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 151.6 | -175.6 | -54.3 | 0 | 0 | 0 | 0 | 112.8 | A684 V726 F744 | A684-S728 CarbonylContact O-C 3.56Å; A684-S728 VanDerWaalsContact O-CA 3.22Å; A684-S728 WeakPolarHBondContact O-CA 3.17Å; A684-S728 WeakPolarHBondContact O-CB 3.17Å; V726-S728 VanDerWaalsContact C-N 3.27Å; V726-S728 PolarHBondContact O-N 2.95Å; V726-S728 VanDerWaalsContact O-N 3.16Å; V726-S728 PolarHBondContact O-OG 2.99Å; S728-F744 PolarHBondContact N-O 3.07Å; S728-F744 PolarHBondContact O-N 3.17Å |
| 729 | F | 79.8 | Confident | 74.5 | Confident | 33.6667 Ų | 33.6667 | 48.2 Ų | 48.2 | 15% | 0.148 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 131.8 | -176 | -74.7 | -96 | 0 | 0 | 0 | 109.2 | A684 R685 V686 Y727 Q731 T741 F742 Q743 P775 T777 | A684-F729 PolarHBondContact O-N 3.33Å; R685-F729 CarbonylContact C-O 3.52Å; R685-F729 WeakPolarHBondContact CA-O 3.34Å; R685-F729 HydrophobicContact CB-CD2 3.93Å; R685-F729 HydrophobicContact CG-CB 4.33Å; R685-F729 HydrophobicContact CG-CD2 4.21Å; V686-F729 PolarHBondContact N-O 3.03Å; Y727-F729 WeakPolarHBondContact O-CE2 3.22Å; Y727-F729 VanDerWaalsContact O-CZ 3.26Å; Y727-F729 WeakPolarHBondContact O-CZ 3.36Å; F729-Q731 HydrophobicContact CD1-CG 3.73Å; F729-Q731 HydrophobicContact CE1-CG 3.79Å; F729-T741 HydrophobicContact CD1-CG2 3.91Å; F729-T741 HydrophobicContact CE1-CG2 3.02Å; F729-T741 HydrophobicContact CE2-CG2 4.14Å; F729-T741 HydrophobicContact CZ-CG2 3.14Å; F729-F742 CarbonylContact C-O 3.55Å; F729-F742 WeakPolarHBondContact CA-O 3.41Å; F729-Q743 HydrophobicContact CD1-CB 4.06Å; F729-Q743 HydrophobicContact CD1-CG 3.84Å; F729-Q743 HydrophobicContact CD2-CB 3.84Å; F729-Q743 HydrophobicContact CD2-CG 3.63Å; F729-Q743 HydrophobicContact CE1-CB 4.22Å; F729-Q743 HydrophobicContact CE1-CG 3.88Å; F729-Q743 VanDerWaalsContact CE1-NE2 3.27Å; F729-Q743 HydrophobicContact CE2-CB 3.66Å; F729-Q743 VanDerWaalsContact CE2-CD 3.45Å; F729-Q743 HydrophobicContact CE2-CG 3.58Å; F729-Q743 HydrophobicContact CZ-CG 4.14Å; F729-P775 HydrophobicContact CE1-CB 3.78Å; F729-P775 HydrophobicContact CE1-CG 4.08Å; F729-P775 HydrophobicContact CZ-CB 3.66Å; F729-P775 HydrophobicContact CZ-CG 4.3Å; F729-T777 HydrophobicContact CE1-CG2 4.46Å |
| 730 | V | 80.7 | Confident | 75.7 | Confident | 32.6667 Ų | 32.6667 | 48 Ų | 48 | 20% | 0.198 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 118.7 | 173.1 | -179.9 | 0 | 0 | 0 | 0 | 108.4 | V686 V732 T741 F742 F744 | V686-V730 HydrophobicContact CB-CB 4.48Å; V686-V730 HydrophobicContact CB-CG1 4.42Å; V686-V730 HydrophobicContact CB-CG2 4.22Å; V686-V730 HydrophobicContact CG1-CG1 4.31Å; V686-V730 HydrophobicContact CG2-CG2 4.15Å; V686-V730 CarbonylContact O-C 3.49Å; V686-V730 VanDerWaalsContact O-CA 3.31Å; V686-V730 WeakPolarHBondContact O-CA 3.34Å; V730-V732 HydrophobicContact CG1-CG2 4.35Å; V730-T741 CarbonylContact O-C 3.41Å; V730-T741 WeakPolarHBondContact O-CA 3.31Å; V730-F742 HydrophobicContact CB-CB 4.22Å; V730-F742 HydrophobicContact CB-CD2 4.4Å; V730-F742 HydrophobicContact CG1-CD2 4.39Å; V730-F742 PolarHBondContact N-O 3.02Å; V730-F742 PolarHBondContact O-N 3.06Å; V730-F744 HydrophobicContact CB-CE2 4.35Å; V730-F744 HydrophobicContact CG2-CE2 3.93Å |
| 731 | Q | 79.9 | Confident | 76.6 | Confident | 19.6667 Ų | 19.6667 | 46.8 Ų | 46.8 | 9% | 0.092 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 126.2 | 177.6 | -63.4 | -173.9 | -56.6 | 0 | 0 | 108.9 | V686 C687 I688 F729 L739 L740 T741 | V686-Q731 PolarHBondContact O-N 3.04Å; C687-Q731 WeakPolarHBondContact CA-O 3.34Å; C687-Q731 PolarHBondContact SG-OE1 3.24Å; C687-Q731 VanDerWaalsContact SG-OE1 3.36Å; I688-Q731 PolarHBondContact N-O 3.06Å; F729-Q731 HydrophobicContact CD1-CG 3.73Å; F729-Q731 HydrophobicContact CE1-CG 3.79Å; Q731-L739 HydrophobicContact CB-CD1 4.19Å; Q731-L739 HydrophobicContact CB-CD2 4.29Å; Q731-L739 HydrophobicContact CB-CG 4.4Å; Q731-L739 HydrophobicContact CG-CD2 4.17Å; Q731-L740 CarbonylContact C-O 3.49Å; Q731-L740 WeakPolarHBondContact CA-O 3.41Å; Q731-T741 HydrophobicContact CG-CG2 4.11Å |
| 732 | V | 77.8 | Confident | 77.2 | Confident | 0.333333 Ų | 0.333333 | 46.1 Ų | 46.1 | 0% | 0.002 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 115.1 | 175.8 | -175.5 | 0 | 0 | 0 | 0 | 107.8 | I688 F693 V730 L734 L740 F742 | I688-V732 CarbonylContact O-C 3.39Å; I688-V732 VanDerWaalsContact O-CA 3.29Å; I688-V732 WeakPolarHBondContact O-CA 3.36Å; F693-V732 HydrophobicContact CB-CG1 4.11Å; F693-V732 HydrophobicContact CD1-CG1 4.28Å; F693-V732 HydrophobicContact CD1-CG2 4.48Å; F693-V732 HydrophobicContact CD2-CG2 4Å; F693-V732 HydrophobicContact CE2-CG2 4.23Å; F693-V732 HydrophobicContact CG-CG1 4.12Å; F693-V732 HydrophobicContact CG-CG2 4.23Å; F693-V732 HydrophobicContact CZ-CG2 4.5Å; V730-V732 HydrophobicContact CG1-CG2 4.35Å; V732-L734 PolarHBondContact O-N 3.47Å; V732-L740 HydrophobicContact CB-CB 4.38Å; V732-L740 PolarHBondContact N-O 3.22Å; V732-L740 PolarHBondContact O-N 3.33Å; V732-F742 HydrophobicContact CG2-CE2 4.48Å |
| 733 | G | 73.9 | Confident | 77.2 | Confident | 9 Ų | 9 | 45.4 Ų | 45.4 | 9% | 0.093 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 130.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109 | I688 Y690 | I688-G733 PolarHBondContact O-N 2.92Å; Y690-G733 VanDerWaalsContact CA-O 3.29Å; Y690-G733 WeakPolarHBondContact CA-O 3.36Å; Y690-G733 WeakPolarHBondContact CB-O 3.33Å; Y690-G733 PolarHBondContact N-O 3.25Å; Y690-G733 VanDerWaalsContact N-O 3.12Å |
| 734 | L | 70.2 | Confident | 77.2 | Confident | 21.6667 Ų | 21.6667 | 45.3 Ų | 45.3 | 11% | 0.113 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 157.2 | 177.2 | -75.3 | 153.4 | 0 | 0 | 0 | 110 | Y690 V732 L738 L740 M829 L833 | Y690-L734 HydrophobicContact CD2-CD2 3.72Å; Y690-L734 HydrophobicContact CE2-CD2 3.99Å; Y690-L734 HydrophobicContact CG-CD2 4.44Å; V732-L734 PolarHBondContact O-N 3.47Å; L734-L738 HydrophobicContact CB-CB 4.29Å; L734-L738 WeakPolarHBondContact CB-O 3.2Å; L734-L738 PolarHBondContact N-O 3.29Å; L734-L740 HydrophobicContact CD1-CB 3.62Å; L734-L740 VanDerWaalsContact CD1-CB 3.42Å; L734-L740 HydrophobicContact CG-CB 4.42Å; L734-M829 HydrophobicContact CB-CE 4.14Å; L734-M829 HydrophobicContact CD1-CE 3.37Å; L734-M829 HydrophobicContact CD1-CG 3.96Å; L734-M829 HydrophobicContact CD1-SD 3.87Å; L734-M829 HydrophobicContact CD2-CE 3.5Å; L734-M829 HydrophobicContact CG-CE 3.73Å; L734-L833 HydrophobicContact CD2-CD1 4.24Å |
| 735 | P | 65.5 | Low | 77 | Confident | 71.6667 Ų | 71.6667 | 39.6 Ų | 39.6 | 47% | 0.465 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 143.9 | 167.3 | -17.7 | 29.8 | 0 | 0 | 0 | 109.9 | Y690 | Y690-P735 HydrophobicContact CD1-CG 4.03Å; Y690-P735 HydrophobicContact CE1-CG 4.39Å; Y690-P735 HydrophobicContact CG-CG 4.29Å |
| 736 | D | 65.9 | Low | 77 | Confident | 122.667 Ų | 122.667 | 37.8 Ų | 37.8 | 66% | 0.656 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84 | 30.3 | -178.2 | -42.8 | -38.2 | 0 | 0 | 0 | 116.2 | L738 R832 | D736-L738 HydrophobicContact CB-CD1 4.45Å; D736-L738 PolarHBondContact O-N 3.05Å; D736-L738 VanDerWaalsContact O-N 3.13Å; D736-R832 IonicContact OD2-NH1 3.28Å |
| 737 | D | 67.3 | Low | 77.2 | Confident | 135.333 Ų | 135.333 | 38.1 Ų | 38.1 | 72% | 0.724 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 26 | 178.6 | -68.5 | -21 | 0 | 0 | 0 | 115 | A771 | D737-A771 WeakPolarHBondContact O-CB 3.44Å; D737-A771 PolarHBondContact O-N 3.15Å |
| 738 | L | 70.7 | Confident | 77.5 | Confident | 53.6667 Ų | 53.6667 | 35.4 Ų | 35.4 | 28% | 0.281 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 143.3 | 177 | -71.4 | 166.7 | 0 | 0 | 0 | 111 | L734 D736 I768 M829 | L734-L738 HydrophobicContact CB-CB 4.29Å; L734-L738 WeakPolarHBondContact CB-O 3.2Å; L734-L738 PolarHBondContact N-O 3.29Å; D736-L738 HydrophobicContact CB-CD1 4.45Å; D736-L738 PolarHBondContact O-N 3.05Å; D736-L738 VanDerWaalsContact O-N 3.13Å; L738-I768 HydrophobicContact CD2-CG2 4.33Å; L738-M829 HydrophobicContact CB-CE 4.35Å; L738-M829 HydrophobicContact CD1-CE 4.06Å; L738-M829 HydrophobicContact CD1-SD 3.85Å; L738-M829 WeakPolarHBondContact CD1-SD 3.45Å |
| 739 | L | 74.8 | Confident | 77.6 | Confident | 24 Ų | 24 | 38.2 Ų | 38.2 | 13% | 0.126 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 122.1 | 178.6 | -162.1 | 80.3 | 0 | 0 | 0 | 109.9 | M653 Q731 I768 G769 | M653-L739 HydrophobicContact CE-CD1 3.81Å; Q731-L739 HydrophobicContact CB-CD1 4.19Å; Q731-L739 HydrophobicContact CB-CD2 4.29Å; Q731-L739 HydrophobicContact CB-CG 4.4Å; Q731-L739 HydrophobicContact CG-CD2 4.17Å; L739-I768 WeakPolarHBondContact O-CA 3.34Å; L739-G769 PolarHBondContact N-O 2.99Å; L739-G769 PolarHBondContact O-N 3.24Å; L739-G769 VanDerWaalsContact O-N 3.14Å |
| 740 | L | 78.7 | Confident | 77.8 | Confident | 10 Ų | 10 | 38.5 Ų | 38.5 | 5% | 0.052 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 114.7 | 170.8 | 175.6 | 69.4 | 0 | 0 | 0 | 108.9 | Q731 V732 L734 F742 H767 I768 L833 | Q731-L740 CarbonylContact C-O 3.49Å; Q731-L740 WeakPolarHBondContact CA-O 3.41Å; V732-L740 HydrophobicContact CB-CB 4.38Å; V732-L740 PolarHBondContact N-O 3.22Å; V732-L740 PolarHBondContact O-N 3.33Å; L734-L740 HydrophobicContact CD1-CB 3.62Å; L734-L740 VanDerWaalsContact CD1-CB 3.42Å; L734-L740 HydrophobicContact CG-CB 4.42Å; L740-F742 HydrophobicContact CD1-CE1 4.46Å; L740-F742 HydrophobicContact CD1-CE2 4.44Å; L740-F742 HydrophobicContact CD1-CZ 4.28Å; L740-F742 HydrophobicContact CD2-CE1 4.5Å; L740-F742 HydrophobicContact CD2-CE2 3.54Å; L740-F742 VanDerWaalsContact CD2-CE2 3.5Å; L740-F742 HydrophobicContact CD2-CZ 3.54Å; L740-F742 HydrophobicContact CG-CD2 4.43Å; L740-F742 HydrophobicContact CG-CE2 3.81Å; L740-F742 HydrophobicContact CG-CZ 3.93Å; L740-H767 WeakPolarHBondContact CA-O 3.13Å; L740-I768 HydrophobicContact CD1-CD1 4.09Å; L740-I768 HydrophobicContact CD1-CG1 3.52Å; L740-I768 VanDerWaalsContact CD1-CG1 3.45Å; L740-L833 HydrophobicContact CD2-CD1 3.91Å; L740-L833 VanDerWaalsContact CD2-CD1 3.42Å; L740-L833 HydrophobicContact CD2-CD2 3.68Å |
| 741 | T | 79.7 | Confident | 77.7 | Confident | 7.66667 Ų | 7.66667 | 38.9 Ų | 38.9 | 5% | 0.047 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 125.6 | -178.4 | -59.3 | 0 | 0 | 0 | 0 | 109.9 | F729 V730 Q731 W766 H767 W791 | F729-T741 HydrophobicContact CD1-CG2 3.91Å; F729-T741 HydrophobicContact CE1-CG2 3.02Å; F729-T741 HydrophobicContact CE2-CG2 4.14Å; F729-T741 HydrophobicContact CZ-CG2 3.14Å; V730-T741 CarbonylContact O-C 3.41Å; V730-T741 WeakPolarHBondContact O-CA 3.31Å; Q731-T741 HydrophobicContact CG-CG2 4.11Å; T741-W766 CarbonylContact O-C 3.52Å; T741-W766 VanDerWaalsContact O-CA 3.25Å; T741-W766 WeakPolarHBondContact O-CA 3.36Å; T741-H767 PolarHBondContact N-O 3.11Å; T741-H767 PolarHBondContact O-N 3.44Å; T741-W791 HydrophobicContact CG2-CH2 4.42Å |
| 742 | F | 82.6 | Confident | 77.4 | Confident | 46 Ų | 46 | 44.3 Ų | 44.3 | 20% | 0.202 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 131.1 | 168.2 | -61.8 | -73.7 | 0 | 0 | 0 | 109.2 | F729 V730 V732 L740 F744 F764 W766 | F729-F742 CarbonylContact C-O 3.55Å; F729-F742 WeakPolarHBondContact CA-O 3.41Å; V730-F742 HydrophobicContact CB-CB 4.22Å; V730-F742 HydrophobicContact CB-CD2 4.4Å; V730-F742 HydrophobicContact CG1-CD2 4.39Å; V730-F742 PolarHBondContact N-O 3.02Å; V730-F742 PolarHBondContact O-N 3.06Å; V732-F742 HydrophobicContact CG2-CE2 4.48Å; L740-F742 HydrophobicContact CD1-CE1 4.46Å; L740-F742 HydrophobicContact CD1-CE2 4.44Å; L740-F742 HydrophobicContact CD1-CZ 4.28Å; L740-F742 HydrophobicContact CD2-CE1 4.5Å; L740-F742 HydrophobicContact CD2-CE2 3.54Å; L740-F742 VanDerWaalsContact CD2-CE2 3.5Å; L740-F742 HydrophobicContact CD2-CZ 3.54Å; L740-F742 HydrophobicContact CG-CD2 4.43Å; L740-F742 HydrophobicContact CG-CE2 3.81Å; L740-F742 HydrophobicContact CG-CZ 3.93Å; F742-F744 HydrophobicContact CB-CE2 3.81Å; F742-F744 HydrophobicContact CB-CZ 3.85Å; F742-F744 HydrophobicContact CG-CZ 4.48Å; F742-F764 HydrophobicContact CB-CE2 4.16Å; F742-F764 AromaticContact CD1-CE2 3.67Å; F742-F764 HydrophobicContact CD1-CE2 3.67Å; F742-F764 AromaticContact CD1-CZ 3.65Å; F742-F764 HydrophobicContact CD1-CZ 3.65Å; F742-F764 HydrophobicContact CE1-CE2 4.49Å; F742-F764 HydrophobicContact CE1-CZ 4.11Å; F742-F764 HydrophobicContact CG-CE2 4.35Å; F742-W766 HydrophobicContact CD1-CB 3.78Å; F742-W766 HydrophobicContact CE1-CB 4.05Å |
| 743 | Q | 81.3 | Confident | 77.2 | Confident | 12 Ų | 12 | 46.1 Ų | 46.1 | 6% | 0.056 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 133.5 | 179.1 | -172.8 | 176.4 | -3.6 | 0 | 0 | 109.8 | F729 F764 G765 A778 F780 W791 | F729-Q743 HydrophobicContact CD1-CB 4.06Å; F729-Q743 HydrophobicContact CD1-CG 3.84Å; F729-Q743 HydrophobicContact CD2-CB 3.84Å; F729-Q743 HydrophobicContact CD2-CG 3.63Å; F729-Q743 HydrophobicContact CE1-CB 4.22Å; F729-Q743 HydrophobicContact CE1-CG 3.88Å; F729-Q743 VanDerWaalsContact CE1-NE2 3.27Å; F729-Q743 HydrophobicContact CE2-CB 3.66Å; F729-Q743 VanDerWaalsContact CE2-CD 3.45Å; F729-Q743 HydrophobicContact CE2-CG 3.58Å; F729-Q743 HydrophobicContact CZ-CG 4.14Å; Q743-F764 CarbonylContact O-C 3.56Å; Q743-F764 VanDerWaalsContact O-CA 3.31Å; Q743-F764 WeakPolarHBondContact O-CA 3.38Å; Q743-F764 WeakPolarHBondContact O-CD2 3.45Å; Q743-G765 PolarHBondContact N-O 3.23Å; Q743-G765 PolarHBondContact O-N 3.12Å; Q743-A778 PolarHBondContact NE2-O 3.39Å; Q743-A778 VanDerWaalsContact OE1-CB 3.32Å; Q743-F780 HydrophobicContact CB-CE2 4.09Å; Q743-F780 HydrophobicContact CB-CZ 4.27Å; Q743-F780 HydrophobicContact CG-CD2 4.32Å; Q743-F780 HydrophobicContact CG-CE1 4.27Å; Q743-F780 HydrophobicContact CG-CE2 3.89Å; Q743-F780 HydrophobicContact CG-CZ 3.95Å; Q743-F780 VanDerWaalsContact NE2-CE2 3.27Å; Q743-W791 HydrophobicContact CB-CH2 4.4Å; Q743-W791 HydrophobicContact CB-CZ3 4.17Å |
| 744 | F | 82.4 | Confident | 76.8 | Confident | 33 Ų | 33 | 50.6 Ų | 50.6 | 15% | 0.145 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 119.2 | -175.1 | -51.7 | -83.9 | 0 | 0 | 0 | 109.9 | Y727 S728 V730 F742 I747 L761 F764 | Y727-F744 CarbonylContact C-O 3.52Å; Y727-F744 WeakPolarHBondContact CA-O 3.3Å; Y727-F744 PolarHBondContact N-O 3.19Å; S728-F744 PolarHBondContact N-O 3.07Å; S728-F744 PolarHBondContact O-N 3.17Å; V730-F744 HydrophobicContact CB-CE2 4.35Å; V730-F744 HydrophobicContact CG2-CE2 3.93Å; F742-F744 HydrophobicContact CB-CE2 3.81Å; F742-F744 HydrophobicContact CB-CZ 3.85Å; F742-F744 HydrophobicContact CG-CZ 4.48Å; F744-I747 HydrophobicContact CB-CD1 3.92Å; F744-I747 HydrophobicContact CB-CG1 3.92Å; F744-I747 HydrophobicContact CD1-CD1 3.24Å; F744-I747 HydrophobicContact CD1-CG1 3.79Å; F744-I747 HydrophobicContact CD2-CD1 4.18Å; F744-I747 HydrophobicContact CE1-CD1 3.66Å; F744-I747 VanDerWaalsContact CE1-CD1 3.48Å; F744-I747 HydrophobicContact CG-CD1 3.53Å; F744-I747 VanDerWaalsContact CG-CD1 3.49Å; F744-I747 HydrophobicContact CG-CG1 4.06Å; F744-I747 HydrophobicContact CZ-CD1 4.29Å; F744-L761 HydrophobicContact CD1-CD1 4.06Å; F744-L761 HydrophobicContact CE1-CD1 4.36Å; F744-F764 HydrophobicContact CD1-CB 4.49Å; F744-F764 AromaticContact CD1-CD2 3.4Å; F744-F764 HydrophobicContact CD1-CD2 3.4Å; F744-F764 VanDerWaalsContact CD1-CD2 3.42Å; F744-F764 AromaticContact CD1-CE2 3.96Å; F744-F764 HydrophobicContact CD1-CE2 3.96Å; F744-F764 HydrophobicContact CD1-CG 4.33Å; F744-F764 AromaticContact CE1-CD2 3.24Å; F744-F764 HydrophobicContact CE1-CD2 3.24Å; F744-F764 AromaticContact CE1-CE2 3.3Å; F744-F764 HydrophobicContact CE1-CE2 3.3Å; F744-F764 HydrophobicContact CE1-CG 4.32Å; F744-F764 HydrophobicContact CE1-CZ 4.42Å; F744-F764 HydrophobicContact CG-CD2 4.37Å; F744-F764 HydrophobicContact CZ-CD2 4.1Å; F744-F764 AromaticContact CZ-CE2 3.78Å; F744-F764 HydrophobicContact CZ-CE2 3.78Å |
| 745 | A | 80.3 | Confident | 76.9 | Confident | 11.3333 Ų | 11.3333 | 53.3 Ų | 53.3 | 9% | 0.094 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | -46.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V726 Y727 T763 F780 | V726-A745 CarbonylContact C-O 3.38Å; V726-A745 WeakPolarHBondContact CA-O 3.19Å; V726-A745 VanDerWaalsContact CG1-O 3.32Å; V726-A745 WeakPolarHBondContact CG1-O 3.1Å; Y727-A745 PolarHBondContact N-O 3.04Å; A745-T763 PolarHBondContact N-O 3Å; A745-F780 HydrophobicContact CB-CD1 3.79Å; A745-F780 HydrophobicContact CB-CD2 4.46Å; A745-F780 HydrophobicContact CB-CE1 3.62Å; A745-F780 HydrophobicContact CB-CE2 4.3Å; A745-F780 HydrophobicContact CB-CG 4.18Å; A745-F780 HydrophobicContact CB-CZ 3.84Å |
| 746 | C | 83.4 | Confident | 77.5 | Confident | 13.3333 Ų | 13.3333 | 54.9 Ų | 54.9 | 9% | 0.09 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 128.4 | 173.8 | -177.5 | 0 | 0 | 0 | 0 | 109.8 | L725 L761 H762 | L725-C746 CarbonylContact O-C 3.48Å; L725-C746 VanDerWaalsContact O-CA 3.23Å; L725-C746 WeakPolarHBondContact O-CA 3.38Å; C746-L761 CarbonylContact O-C 3.51Å; C746-L761 WeakPolarHBondContact O-CA 3.31Å; C746-H762 HydrophobicContact CB-CB 3.93Å; C746-H762 PolarHBondContact O-N 2.8Å |
| 747 | I | 84.4 | Confident | 78.3 | Confident | 23 Ų | 23 | 50.4 Ų | 50.4 | 12% | 0.118 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 138 | 168 | -50.1 | 174.4 | 0 | 0 | 0 | 107.1 | R724 L725 F744 F759 G760 L761 | R724-I747 CarbonylContact C-O 3.28Å; R724-I747 VanDerWaalsContact CA-O 3.31Å; R724-I747 WeakPolarHBondContact CA-O 3.43Å; L725-I747 HydrophobicContact CB-CB 4.3Å; L725-I747 HydrophobicContact CB-CG1 4.47Å; L725-I747 HydrophobicContact CD1-CB 4.38Å; L725-I747 HydrophobicContact CD1-CD1 4.38Å; L725-I747 PolarHBondContact N-O 3.27Å; L725-I747 PolarHBondContact O-N 3Å; L725-I747 VanDerWaalsContact O-O 3.14Å; F744-I747 HydrophobicContact CB-CD1 3.92Å; F744-I747 HydrophobicContact CB-CG1 3.92Å; F744-I747 HydrophobicContact CD1-CD1 3.24Å; F744-I747 HydrophobicContact CD1-CG1 3.79Å; F744-I747 HydrophobicContact CD2-CD1 4.18Å; F744-I747 HydrophobicContact CE1-CD1 3.66Å; F744-I747 VanDerWaalsContact CE1-CD1 3.48Å; F744-I747 HydrophobicContact CG-CD1 3.53Å; F744-I747 VanDerWaalsContact CG-CD1 3.49Å; F744-I747 HydrophobicContact CG-CG1 4.06Å; F744-I747 HydrophobicContact CZ-CD1 4.29Å; I747-F759 HydrophobicContact CG2-CD2 4.41Å; I747-F759 HydrophobicContact CG2-CE1 4.43Å; I747-F759 HydrophobicContact CG2-CE2 3.46Å; I747-F759 VanDerWaalsContact CG2-CE2 3.46Å; I747-F759 HydrophobicContact CG2-CZ 3.62Å; I747-F759 VanDerWaalsContact CG2-CZ 3.47Å; I747-G760 CarbonylContact C-O 3.52Å; I747-G760 WeakPolarHBondContact CA-O 3.36Å; I747-L761 HydrophobicContact CD1-CD1 4.41Å; I747-L761 HydrophobicContact CG1-CD1 3.99Å; I747-L761 HydrophobicContact CG1-CG 4.41Å; I747-L761 HydrophobicContact CG2-CD1 4.4Å |
| 748 | Y | 86.7 | Confident | 79.1 | Confident | 56.6667 Ų | 56.6667 | 45.3 Ų | 45.3 | 22% | 0.222 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 150 | 168.4 | 67 | -92.4 | 0 | 0 | 0 | 111.8 | V723 V750 E758 F759 G760 V799 | V723-Y748 CarbonylContact O-C 3.5Å; V723-Y748 WeakPolarHBondContact O-CA 3.46Å; Y748-V750 HydrophobicContact CD2-CG2 4.01Å; Y748-E758 HydrophobicContact CE2-CG 4.33Å; Y748-E758 PolarHBondContact OH-OE1 3.28Å; Y748-F759 CarbonylContact O-C 3.52Å; Y748-F759 WeakPolarHBondContact O-CA 3.38Å; Y748-F759 WeakPolarHBondContact O-CD2 3.49Å; Y748-G760 PolarHBondContact N-O 2.94Å; Y748-G760 PolarHBondContact O-N 3.06Å; Y748-V799 WeakPolarHBondContact OH-CG2 3.39Å |
| 749 | F | 84.5 | Confident | 79.8 | Confident | 65 Ų | 65 | 46.4 Ų | 46.4 | 29% | 0.285 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 128 | 170.5 | 173.2 | -98.7 | 0 | 0 | 0 | 107.1 | M721 S722 V723 K751 E758 F759 | M721-F749 HydrophobicContact CE-CD1 3.79Å; M721-F749 HydrophobicContact CE-CE1 3.42Å; M721-F749 VanDerWaalsContact CE-CE1 3.42Å; M721-F749 HydrophobicContact CE-CZ 4.48Å; S722-F749 CarbonylContact C-O 3.57Å; S722-F749 WeakPolarHBondContact CA-O 3.39Å; V723-F749 HydrophobicContact CB-CB 4.38Å; V723-F749 PolarHBondContact N-O 3.04Å; V723-F749 PolarHBondContact O-N 3.04Å; F749-K751 HydrophobicContact CE1-CB 4.03Å; F749-K751 HydrophobicContact CZ-CB 4.21Å; F749-E758 CarbonylContact C-O 3.49Å; F749-E758 WeakPolarHBondContact CA-O 3.41Å; F749-F759 HydrophobicContact CB-CD2 4.31Å; F749-F759 HydrophobicContact CD2-CB 4.33Å; F749-F759 HydrophobicContact CD2-CD2 4.44Å |
| 750 | V | 82.4 | Confident | 80.2 | Confident | 40.6667 Ų | 40.6667 | 45.3 Ų | 45.3 | 25% | 0.246 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 117.1 | 177.8 | -178.4 | 0 | 0 | 0 | 0 | 109 | M721 Y748 K752 S757 E758 | M721-V750 CarbonylContact O-C 3.49Å; M721-V750 VanDerWaalsContact O-CA 3.31Å; M721-V750 WeakPolarHBondContact O-CA 3.35Å; Y748-V750 HydrophobicContact CD2-CG2 4.01Å; V750-K752 HydrophobicContact CG1-CG 4.04Å; V750-S757 CarbonylContact O-C 3.6Å; V750-S757 WeakPolarHBondContact O-CA 3.48Å; V750-E758 PolarHBondContact N-O 3.27Å; V750-E758 PolarHBondContact O-N 2.9Å |
| 751 | K | 78.4 | Confident | 80.4 | Confident | 40.3333 Ų | 40.3333 | 45.6 Ų | 45.6 | 18% | 0.175 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 105.8 | 171 | -173.7 | 179.5 | 178.8 | -174.5 | 0 | 108.4 | L718 C720 M721 F749 | L718-K751 PolarHBondContact O-NZ 3.46Å; L718-K751 VanDerWaalsContact O-NZ 3.12Å; C720-K751 CarbonylContact C-O 3.59Å; C720-K751 WeakPolarHBondContact CA-O 3.35Å; M721-K751 HydrophobicContact CB-CB 4.42Å; M721-K751 WeakPolarHBondContact CE-O 3.43Å; M721-K751 PolarHBondContact N-O 2.78Å; M721-K751 PolarHBondContact O-N 2.9Å; M721-K751 HydrophobicContact SD-CB 4.31Å; M721-K751 HydrophobicContact SD-CD 4.44Å; M721-K751 HydrophobicContact SD-CG 4.4Å; F749-K751 HydrophobicContact CE1-CB 4.03Å; F749-K751 HydrophobicContact CZ-CB 4.21Å |
| 752 | K | 74.8 | Confident | 80.5 | Confident | 133.667 Ų | 133.667 | 49.7 Ų | 49.7 | 58% | 0.581 | 25% | 0.248 | S | C | * | . | trans | -84.3 | -29.7 | -179.7 | -71.7 | 175.6 | 174.3 | 155.8 | 0 | 112.7 | C720 V750 K756 E758 | C720-K752 PolarHBondContact SG-O 3.2Å; V750-K752 HydrophobicContact CG1-CG 4.04Å; K752-K756 PolarHBondContact N-O 3.1Å; K752-K756 VanDerWaalsContact N-O 3.11Å; K752-E758 IonicContact NZ-OE2 2.68Å; K752-E758 PolarHBondContact NZ-OE2 3Å | ||
| 753 | S | 72.3 | Confident | 80.3 | Confident | 37.3333 Ų | 37.3333 | 48.2 Ų | 48.2 | 26% | 0.261 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -154.8 | 167.5 | 178.5 | 78.9 | 0 | 0 | 0 | 0 | 110 | I755 K756 | S753-I755 PolarHBondContact O-N 3.22Å; S753-I755 PolarHBondContact OG-N 3.11Å; S753-K756 PolarHBondContact N-O 3.24Å; S753-K756 VanDerWaalsContact N-O 3.1Å; S753-K756 PolarHBondContact O-N 2.97Å; S753-K756 WeakPolarHBondContact OG-CB 3.46Å; S753-K756 PolarHBondContact OG-N 3.19Å |
| 754 | P | 67.3 | Low | 80.3 | Confident | 103 Ų | 103 | 49.1 Ų | 49.1 | 67% | 0.669 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -57.5 | -19 | 173.1 | 21.6 | -32.9 | 0 | 0 | 0 | 113.5 | ||
| 755 | I | 71.7 | Confident | 80.1 | Confident | 78 Ų | 78 | 47.6 Ų | 47.6 | 40% | 0.4 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -103.4 | -26.4 | -175.8 | -65.6 | 162.6 | 0 | 0 | 0 | 112.1 | S753 H803 H804 L805 | S753-I755 PolarHBondContact O-N 3.22Å; S753-I755 PolarHBondContact OG-N 3.11Å; I755-H803 CarbonylContact O-C 3.57Å; I755-H803 WeakPolarHBondContact O-CA 3.35Å; I755-H804 HydrophobicContact CG2-CB 4.46Å; I755-H804 WeakPolarHBondContact CG2-O 3.36Å; I755-H804 PolarHBondContact O-N 2.82Å; I755-L805 HydrophobicContact CG2-CG 4.34Å |
| 756 | K | 77.6 | Confident | 80.2 | Confident | 105.333 Ų | 105.333 | 49.8 Ų | 49.8 | 46% | 0.458 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 119.6 | -173.9 | -60.9 | -170.7 | 178.1 | 177.5 | 0 | 111.3 | K752 S753 L802 H803 | K752-K756 PolarHBondContact N-O 3.1Å; K752-K756 VanDerWaalsContact N-O 3.11Å; S753-K756 PolarHBondContact N-O 3.24Å; S753-K756 VanDerWaalsContact N-O 3.1Å; S753-K756 PolarHBondContact O-N 2.97Å; S753-K756 WeakPolarHBondContact OG-CB 3.46Å; S753-K756 PolarHBondContact OG-N 3.19Å; K756-L802 WeakPolarHBondContact CA-O 3.41Å; K756-H803 VanDerWaalsContact CD-CE1 3.41Å; K756-H803 WeakPolarHBondContact CD-CE1 3.32Å; K756-H803 WeakPolarHBondContact CE-CE1 3.43Å; K756-H803 WeakPolarHBondContact CE-ND1 3.36Å; K756-H803 WeakPolarHBondContact CG-ND1 3.41Å |
| 757 | S | 82.2 | Confident | 80 | Confident | 28.3333 Ų | 28.3333 | 51 Ų | 51 | 20% | 0.198 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 149.7 | 171 | 53.2 | 0 | 0 | 0 | 0 | 110.8 | V750 L802 | V750-S757 CarbonylContact O-C 3.6Å; V750-S757 WeakPolarHBondContact O-CA 3.48Å; S757-L802 PolarHBondContact N-O 2.97Å; S757-L802 PolarHBondContact O-N 3.18Å; S757-L802 VanDerWaalsContact OG-CB 3.25Å; S757-L802 WeakPolarHBondContact OG-CB 3.48Å |
| 758 | E | 85.2 | Confident | 79.5 | Confident | 29.6667 Ų | 29.6667 | 50.8 Ų | 50.8 | 14% | 0.139 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 128.9 | -176.7 | -173 | 174 | 169.2 | 0 | 0 | 108.2 | Y748 F749 V750 K752 V799 F800 K801 | Y748-E758 HydrophobicContact CE2-CG 4.33Å; Y748-E758 PolarHBondContact OH-OE1 3.28Å; F749-E758 CarbonylContact C-O 3.49Å; F749-E758 WeakPolarHBondContact CA-O 3.41Å; V750-E758 PolarHBondContact N-O 3.27Å; V750-E758 PolarHBondContact O-N 2.9Å; K752-E758 IonicContact NZ-OE2 2.68Å; K752-E758 PolarHBondContact NZ-OE2 3Å; E758-V799 HydrophobicContact CG-CG1 3.81Å; E758-V799 WeakPolarHBondContact OE1-CG1 3.26Å; E758-F800 CarbonylContact C-O 3.48Å; E758-F800 VanDerWaalsContact CA-O 3.26Å; E758-F800 WeakPolarHBondContact CA-O 3.31Å; E758-K801 HydrophobicContact CG-CG 4.3Å |
| 759 | F | 84.6 | Confident | 78.8 | Confident | 77 Ų | 77 | 48.7 Ų | 48.7 | 34% | 0.338 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 124.9 | 173.8 | 173.9 | -95.9 | 0 | 0 | 0 | 107.6 | I747 Y748 F749 L761 V799 F800 | I747-F759 HydrophobicContact CG2-CD2 4.41Å; I747-F759 HydrophobicContact CG2-CE1 4.43Å; I747-F759 HydrophobicContact CG2-CE2 3.46Å; I747-F759 VanDerWaalsContact CG2-CE2 3.46Å; I747-F759 HydrophobicContact CG2-CZ 3.62Å; I747-F759 VanDerWaalsContact CG2-CZ 3.47Å; Y748-F759 CarbonylContact O-C 3.52Å; Y748-F759 WeakPolarHBondContact O-CA 3.38Å; Y748-F759 WeakPolarHBondContact O-CD2 3.49Å; F749-F759 HydrophobicContact CB-CD2 4.31Å; F749-F759 HydrophobicContact CD2-CB 4.33Å; F749-F759 HydrophobicContact CD2-CD2 4.44Å; F759-L761 HydrophobicContact CE1-CB 4.45Å; F759-L761 HydrophobicContact CE1-CD1 4.44Å; F759-L761 HydrophobicContact CZ-CD1 4.46Å; F759-V799 CarbonylContact O-C 3.45Å; F759-F800 HydrophobicContact CB-CB 4.25Å; F759-F800 HydrophobicContact CD1-CB 4.43Å; F759-F800 AromaticContact CD1-CD2 3.56Å; F759-F800 HydrophobicContact CD1-CD2 3.56Å; F759-F800 VanDerWaalsContact CD1-CD2 3.48Å; F759-F800 AromaticContact CD1-CE2 3.96Å; F759-F800 HydrophobicContact CD1-CE2 4.07Å; F759-F800 HydrophobicContact CD1-CG 4.31Å; F759-F800 HydrophobicContact CE1-CD2 4.19Å; F759-F800 HydrophobicContact CE1-CE2 4.24Å; F759-F800 PolarHBondContact N-O 3.01Å; F759-F800 PolarHBondContact O-N 2.93Å |
| 760 | G | 83.4 | Confident | 77.8 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 149 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I747 Y748 C798 | I747-G760 CarbonylContact C-O 3.52Å; I747-G760 WeakPolarHBondContact CA-O 3.36Å; Y748-G760 PolarHBondContact N-O 2.94Å; Y748-G760 PolarHBondContact O-N 3.06Å; G760-C798 CarbonylContact C-O 3.55Å; G760-C798 VanDerWaalsContact CA-O 3.25Å; G760-C798 WeakPolarHBondContact CA-O 3.42Å |
| 761 | L | 82.6 | Confident | 76.6 | Confident | 16 Ų | 16 | 49.4 Ų | 49.4 | 8% | 0.084 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 116.2 | -175.6 | 179.6 | 114 | 0 | 0 | 0 | 108 | F744 C746 I747 F759 F764 I794 C798 | F744-L761 HydrophobicContact CD1-CD1 4.06Å; F744-L761 HydrophobicContact CE1-CD1 4.36Å; C746-L761 CarbonylContact O-C 3.51Å; C746-L761 WeakPolarHBondContact O-CA 3.31Å; I747-L761 HydrophobicContact CD1-CD1 4.41Å; I747-L761 HydrophobicContact CG1-CD1 3.99Å; I747-L761 HydrophobicContact CG1-CG 4.41Å; I747-L761 HydrophobicContact CG2-CD1 4.4Å; F759-L761 HydrophobicContact CE1-CB 4.45Å; F759-L761 HydrophobicContact CE1-CD1 4.44Å; F759-L761 HydrophobicContact CZ-CD1 4.46Å; L761-F764 HydrophobicContact CD1-CB 3.99Å; L761-F764 HydrophobicContact CD1-CG 4.21Å; L761-F764 HydrophobicContact CD2-CB 3.48Å; L761-F764 VanDerWaalsContact CD2-CB 3.44Å; L761-F764 HydrophobicContact CD2-CD1 4.37Å; L761-F764 HydrophobicContact CD2-CG 4.12Å; L761-F764 HydrophobicContact CG-CB 3.96Å; L761-I794 HydrophobicContact CD2-CB 4.39Å; L761-I794 HydrophobicContact CD2-CG2 4.24Å; L761-C798 HydrophobicContact CB-CB 4.1Å; L761-C798 HydrophobicContact CD2-CB 4.22Å; L761-C798 PolarHBondContact N-O 3.34Å; L761-C798 WeakPolarHBondContact O-CA 3.29Å; L761-C798 VanDerWaalsContact O-CB 3.28Å; L761-C798 WeakPolarHBondContact O-CB 3.22Å; L761-C798 PolarHBondContact O-N 3.09Å |
| 762 | H | 81.9 | Confident | 75.3 | Confident | 94.6667 Ų | 94.6667 | 57.3 Ų | 57.3 | 44% | 0.438 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | -48.1 | -171.8 | -135.7 | -69.2 | 0 | 0 | 0 | 113.7 | C746 G796 | C746-H762 HydrophobicContact CB-CB 3.93Å; C746-H762 PolarHBondContact O-N 2.8Å; H762-G796 CarbonylContact O-C 3.49Å; H762-G796 WeakPolarHBondContact O-CA 3.32Å; H762-G796 PolarHBondContact O-N 3Å |
| 763 | T | 79.2 | Confident | 74 | Confident | 14 Ų | 14 | 54.1 Ų | 54.1 | 9% | 0.086 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 130.9 | 174.8 | -47 | 0 | 0 | 0 | 0 | 107.3 | A745 F780 V793 I794 D795 | A745-T763 PolarHBondContact N-O 3Å; T763-F780 HydrophobicContact CG2-CD1 3.62Å; T763-F780 VanDerWaalsContact CG2-CD1 3.41Å; T763-F780 HydrophobicContact CG2-CE1 3.72Å; T763-F780 HydrophobicContact CG2-CG 4.07Å; T763-F780 HydrophobicContact CG2-CZ 4.26Å; T763-V793 HydrophobicContact CG2-CG1 4.12Å; T763-I794 CarbonylContact C-O 3.52Å; T763-I794 VanDerWaalsContact CA-O 3.3Å; T763-I794 WeakPolarHBondContact CA-O 3.3Å; T763-D795 PolarHBondContact OG1-OD1 2.82Å |
| 764 | F | 81.8 | Confident | 72.8 | Confident | 30.3333 Ų | 30.3333 | 60.8 Ų | 60.8 | 13% | 0.133 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 122.5 | -178.8 | 166.7 | -117.4 | 0 | 0 | 0 | 109.7 | F742 Q743 F744 L761 W766 V793 I794 | F742-F764 HydrophobicContact CB-CE2 4.16Å; F742-F764 AromaticContact CD1-CE2 3.67Å; F742-F764 HydrophobicContact CD1-CE2 3.67Å; F742-F764 AromaticContact CD1-CZ 3.65Å; F742-F764 HydrophobicContact CD1-CZ 3.65Å; F742-F764 HydrophobicContact CE1-CE2 4.49Å; F742-F764 HydrophobicContact CE1-CZ 4.11Å; F742-F764 HydrophobicContact CG-CE2 4.35Å; Q743-F764 CarbonylContact O-C 3.56Å; Q743-F764 VanDerWaalsContact O-CA 3.31Å; Q743-F764 WeakPolarHBondContact O-CA 3.38Å; Q743-F764 WeakPolarHBondContact O-CD2 3.45Å; F744-F764 HydrophobicContact CD1-CB 4.49Å; F744-F764 AromaticContact CD1-CD2 3.4Å; F744-F764 HydrophobicContact CD1-CD2 3.4Å; F744-F764 VanDerWaalsContact CD1-CD2 3.42Å; F744-F764 AromaticContact CD1-CE2 3.96Å; F744-F764 HydrophobicContact CD1-CE2 3.96Å; F744-F764 HydrophobicContact CD1-CG 4.33Å; F744-F764 AromaticContact CE1-CD2 3.24Å; F744-F764 HydrophobicContact CE1-CD2 3.24Å; F744-F764 AromaticContact CE1-CE2 3.3Å; F744-F764 HydrophobicContact CE1-CE2 3.3Å; F744-F764 HydrophobicContact CE1-CG 4.32Å; F744-F764 HydrophobicContact CE1-CZ 4.42Å; F744-F764 HydrophobicContact CG-CD2 4.37Å; F744-F764 HydrophobicContact CZ-CD2 4.1Å; F744-F764 AromaticContact CZ-CE2 3.78Å; F744-F764 HydrophobicContact CZ-CE2 3.78Å; L761-F764 HydrophobicContact CD1-CB 3.99Å; L761-F764 HydrophobicContact CD1-CG 4.21Å; L761-F764 HydrophobicContact CD2-CB 3.48Å; L761-F764 VanDerWaalsContact CD2-CB 3.44Å; L761-F764 HydrophobicContact CD2-CD1 4.37Å; L761-F764 HydrophobicContact CD2-CG 4.12Å; L761-F764 HydrophobicContact CG-CB 3.96Å; F764-W766 AromaticContact CD1-CE3 3.88Å; F764-W766 HydrophobicContact CD1-CE3 3.88Å; F764-W766 AromaticContact CD1-CZ3 3.93Å; F764-W766 HydrophobicContact CD1-CZ3 3.96Å; F764-W766 HydrophobicContact CE1-CD2 4.41Å; F764-W766 AromaticContact CE1-CE3 3.26Å; F764-W766 HydrophobicContact CE1-CE3 3.26Å; F764-W766 AromaticContact CE1-CZ3 3.51Å; F764-W766 HydrophobicContact CE1-CZ3 3.51Å; F764-W766 HydrophobicContact CZ-CB 4.48Å; F764-W766 AromaticContact CZ-CE3 3.79Å; F764-W766 HydrophobicContact CZ-CE3 3.79Å; F764-W766 HydrophobicContact CZ-CZ3 4.34Å; F764-V793 CarbonylContact O-C 3.53Å; F764-V793 WeakPolarHBondContact O-CA 3.3Å; F764-I794 HydrophobicContact CB-CB 4.32Å; F764-I794 HydrophobicContact CD1-CB 4.45Å; F764-I794 HydrophobicContact CD1-CD1 3.79Å; F764-I794 HydrophobicContact CD1-CG1 3.95Å; F764-I794 HydrophobicContact CE1-CD1 4.4Å; F764-I794 PolarHBondContact N-O 3.05Å; F764-I794 PolarHBondContact O-N 3.05Å |
| 765 | G | 77.9 | Confident | 71.9 | Confident | 1.66667 Ų | 1.66667 | 58.5 Ų | 58.5 | 2% | 0.017 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 146.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q743 S792 | Q743-G765 PolarHBondContact N-O 3.23Å; Q743-G765 PolarHBondContact O-N 3.12Å; G765-S792 CarbonylContact C-O 3.55Å; G765-S792 VanDerWaalsContact CA-O 3.29Å; G765-S792 WeakPolarHBondContact CA-O 3.33Å |
| 766 | W | 82.1 | Confident | 70.8 | Confident | 58.6667 Ų | 58.6667 | 57.5 Ų | 57.5 | 22% | 0.222 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 146.8 | 161.8 | 70.1 | 85.8 | 0 | 0 | 0 | 111.9 | T741 F742 F764 S792 I794 L820 | T741-W766 CarbonylContact O-C 3.52Å; T741-W766 VanDerWaalsContact O-CA 3.25Å; T741-W766 WeakPolarHBondContact O-CA 3.36Å; F742-W766 HydrophobicContact CD1-CB 3.78Å; F742-W766 HydrophobicContact CE1-CB 4.05Å; F764-W766 AromaticContact CD1-CE3 3.88Å; F764-W766 HydrophobicContact CD1-CE3 3.88Å; F764-W766 AromaticContact CD1-CZ3 3.93Å; F764-W766 HydrophobicContact CD1-CZ3 3.96Å; F764-W766 HydrophobicContact CE1-CD2 4.41Å; F764-W766 AromaticContact CE1-CE3 3.26Å; F764-W766 HydrophobicContact CE1-CE3 3.26Å; F764-W766 AromaticContact CE1-CZ3 3.51Å; F764-W766 HydrophobicContact CE1-CZ3 3.51Å; F764-W766 HydrophobicContact CZ-CB 4.48Å; F764-W766 AromaticContact CZ-CE3 3.79Å; F764-W766 HydrophobicContact CZ-CE3 3.79Å; F764-W766 HydrophobicContact CZ-CZ3 4.34Å; W766-S792 PolarHBondContact N-O 2.97Å; W766-S792 PolarHBondContact O-N 3.07Å; W766-S792 VanDerWaalsContact O-N 3.08Å; W766-I794 HydrophobicContact CZ3-CD1 4.49Å; W766-I794 HydrophobicContact CZ3-CG1 4.31Å; W766-L820 HydrophobicContact CH2-CD2 3.47Å; W766-L820 HydrophobicContact CZ2-CD2 3.66Å |
| 767 | H | 78.9 | Confident | 69.5 | Low | 38 Ų | 38 | 57.4 Ų | 57.4 | 18% | 0.176 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 144.6 | -179.9 | 175.4 | 62.6 | 0 | 0 | 0 | 110.2 | L740 T741 G769 G790 W791 | L740-H767 WeakPolarHBondContact CA-O 3.13Å; T741-H767 PolarHBondContact N-O 3.11Å; T741-H767 PolarHBondContact O-N 3.44Å; H767-G769 WeakPolarHBondContact NE2-CA 3.43Å; H767-G769 PolarHBondContact NE2-N 2.77Å; H767-G790 VanDerWaalsContact ND1-C 3.25Å; H767-G790 PolarHBondContact ND1-O 3.15Å; H767-W791 HydrophobicContact CB-CD2 3.78Å; H767-W791 HydrophobicContact CB-CE3 3.87Å; H767-W791 HydrophobicContact CB-CG 4.42Å; H767-W791 HydrophobicContact CB-CH2 3.94Å; H767-W791 HydrophobicContact CB-CZ2 3.82Å; H767-W791 HydrophobicContact CB-CZ3 3.95Å; H767-W791 AromaticContact CG-CE2 3.93Å; H767-W791 AromaticContact CG-NE1 4Å |
| 768 | I | 74.8 | Confident | 67.9 | Low | 19 Ų | 19 | 57 Ų | 57 | 10% | 0.097 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 116.6 | 171.3 | -65.5 | 167 | 0 | 0 | 0 | 106.8 | L738 L739 L740 W826 M829 | L738-I768 HydrophobicContact CD2-CG2 4.33Å; L739-I768 WeakPolarHBondContact O-CA 3.34Å; L740-I768 HydrophobicContact CD1-CD1 4.09Å; L740-I768 HydrophobicContact CD1-CG1 3.52Å; L740-I768 VanDerWaalsContact CD1-CG1 3.45Å; I768-W826 HydrophobicContact CB-CD2 3.95Å; I768-W826 HydrophobicContact CB-CE3 4.16Å; I768-W826 HydrophobicContact CB-CG 4.45Å; I768-W826 HydrophobicContact CB-CH2 4.15Å; I768-W826 HydrophobicContact CB-CZ2 4.06Å; I768-W826 HydrophobicContact CB-CZ3 4.25Å; I768-W826 HydrophobicContact CD1-CB 4.02Å; I768-W826 HydrophobicContact CD1-CD2 4.25Å; I768-W826 HydrophobicContact CD1-CE3 4.18Å; I768-W826 HydrophobicContact CD1-CG 3.88Å; I768-W826 HydrophobicContact CG2-CD2 4.3Å; I768-W826 HydrophobicContact CG2-CG 4.39Å; I768-W826 WeakPolarHBondContact O-CH2 3.46Å; I768-W826 WeakPolarHBondContact O-CZ2 3.23Å; I768-M829 HydrophobicContact CB-CE 4.07Å; I768-M829 HydrophobicContact CD1-CB 4.17Å; I768-M829 HydrophobicContact CD1-CE 3.68Å; I768-M829 HydrophobicContact CD1-SD 4.08Å; I768-M829 HydrophobicContact CG1-CE 3.73Å; I768-M829 HydrophobicContact CG2-CE 3.53Å; I768-M829 HydrophobicContact CG2-SD 3.75Å |
| 769 | G | 70.7 | Confident | 66.4 | Low | 13 Ų | 13 | 61.6 Ų | 61.6 | 13% | 0.134 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 175.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L739 H767 | L739-G769 PolarHBondContact N-O 2.99Å; L739-G769 PolarHBondContact O-N 3.24Å; L739-G769 VanDerWaalsContact O-N 3.14Å; H767-G769 WeakPolarHBondContact NE2-CA 3.43Å; H767-G769 PolarHBondContact NE2-N 2.77Å |
| 770 | A | 65 | Low | 65 | Low | 63 Ų | 63 | 60.8 Ų | 60.8 | 52% | 0.521 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 143 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | K772 S773 | A770-K772 PolarHBondContact O-N 3.31Å; A770-K772 VanDerWaalsContact O-N 3.07Å; A770-S773 PolarHBondContact O-N 3.05Å; A770-S773 PolarHBondContact O-OG 2.86Å; A770-S773 VanDerWaalsContact O-OG 3.11Å |
| 771 | A | 55.9 | Low | 63.4 | Low | 55.6667 Ų | 55.6667 | 68.3 Ų | 68.3 | 46% | 0.46 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -19.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | D737 S773 | D737-A771 WeakPolarHBondContact O-CB 3.44Å; D737-A771 PolarHBondContact O-N 3.15Å; A771-S773 VanDerWaalsContact C-N 3.33Å; A771-S773 PolarHBondContact O-N 3.2Å |
| 772 | K | 50.5 | Low | 61.6 | Low | 207.667 Ų | 207.667 | 74.9 Ų | 74.9 | 90% | 0.903 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -8.3 | -175.5 | -68.6 | -174.5 | 179.3 | -180 | 0 | 115.4 | A770 E774 | A770-K772 PolarHBondContact O-N 3.31Å; A770-K772 VanDerWaalsContact O-N 3.07Å; K772-E774 PolarHBondContact O-N 3.14Å |
| 773 | S | 48.9 | Very low | 60.2 | Low | 65.6667 Ų | 65.6667 | 76.5 Ų | 76.5 | 46% | 0.459 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -82 | 123.7 | 176.5 | 57.6 | 0 | 0 | 0 | 0 | 110 | A770 A771 | A770-S773 PolarHBondContact O-N 3.05Å; A770-S773 PolarHBondContact O-OG 2.86Å; A770-S773 VanDerWaalsContact O-OG 3.11Å; A771-S773 VanDerWaalsContact C-N 3.33Å; A771-S773 PolarHBondContact O-N 3.2Å |
| 774 | E | 46.6 | Very low | 59 | Low | 179 Ų | 179 | 79.9 Ų | 79.9 | 84% | 0.836 | 44% | 0.437 | S | S | * | . | trans | -48.7 | 135.2 | 164.8 | -75.8 | -171.5 | 158.8 | 0 | 0 | 108.8 | K772 A776 | K772-E774 PolarHBondContact O-N 3.14Å; E774-A776 PolarHBondContact O-N 2.97Å | ||
| 775 | P | 48.8 | Very low | 58.1 | Low | 53 Ų | 53 | 80.9 Ų | 80.9 | 34% | 0.344 | 45% | 0.451 | S | S | . | . | trans | -63.8 | 102.6 | 178.4 | 25.7 | -31.1 | 0 | 0 | 0 | 106.9 | F729 T777 | F729-P775 HydrophobicContact CE1-CB 3.78Å; F729-P775 HydrophobicContact CE1-CG 4.08Å; F729-P775 HydrophobicContact CZ-CB 3.66Å; F729-P775 HydrophobicContact CZ-CG 4.3Å; P775-T777 VanDerWaalsContact C-N 3.3Å; P775-T777 PolarHBondContact O-N 3.42Å | ||
| 776 | A | 48.7 | Very low | 57.7 | Low | 58 Ų | 58 | 82.1 Ų | 82.1 | 48% | 0.479 | 46% | 0.458 | S | S | . | . | trans | -54.5 | 104.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 106 | E774 A778 W791 | E774-A776 PolarHBondContact O-N 2.97Å; A776-A778 VanDerWaalsContact C-N 3.32Å; A776-A778 PolarHBondContact O-N 3.06Å; A776-A778 VanDerWaalsContact O-N 3.14Å; A776-W791 WeakPolarHBondContact O-CZ2 3.41Å | ||
| 777 | T | 49.3 | Very low | 57.3 | Low | 103 Ų | 103 | 79.5 Ų | 79.5 | 63% | 0.632 | 45% | 0.448 | S | S | * | . | trans | -58.3 | 106.1 | 174.4 | 43.5 | 0 | 0 | 0 | 0 | 105.6 | F729 P775 D779 | F729-T777 HydrophobicContact CE1-CG2 4.46Å; P775-T777 VanDerWaalsContact C-N 3.3Å; P775-T777 PolarHBondContact O-N 3.42Å; T777-D779 PolarHBondContact O-N 2.99Å; T777-D779 VanDerWaalsContact O-N 3.11Å | ||
| 778 | A | 50 | Low | 57.1 | Low | 19 Ų | 19 | 81.2 Ų | 81.2 | 16% | 0.157 | 46% | 0.455 | C | S | . | . | trans | -62.6 | 111 | 174.9 | 0 | 0 | 0 | 0 | 0 | 105 | Q743 A776 F780 W791 | Q743-A778 PolarHBondContact NE2-O 3.39Å; Q743-A778 VanDerWaalsContact OE1-CB 3.32Å; A776-A778 VanDerWaalsContact C-N 3.32Å; A776-A778 PolarHBondContact O-N 3.06Å; A776-A778 VanDerWaalsContact O-N 3.14Å; A778-F780 HydrophobicContact CB-CD1 4.21Å; A778-F780 HydrophobicContact CB-CD2 4.21Å; A778-F780 HydrophobicContact CB-CE1 3.74Å; A778-F780 HydrophobicContact CB-CE2 3.86Å; A778-F780 HydrophobicContact CB-CZ 3.85Å; A778-F780 WeakPolarHBondContact O-CD2 3.36Å; A778-F780 PolarHBondContact O-N 2.67Å; A778-W791 HydrophobicContact CB-CD2 4.34Å; A778-W791 HydrophobicContact CB-CE3 4.3Å; A778-W791 HydrophobicContact CB-CH2 4.36Å; A778-W791 HydrophobicContact CB-CZ2 4.43Å; A778-W791 HydrophobicContact CB-CZ3 4.31Å | ||
| 779 | D | 52.6 | Low | 57.1 | Low | 127 Ų | 127 | 81.8 Ų | 81.8 | 68% | 0.679 | 46% | 0.456 | S | S | * | . | trans | -68.8 | 85.2 | 177.5 | -137.7 | -6.5 | 0 | 0 | 0 | 106.2 | T777 K781 | T777-D779 PolarHBondContact O-N 2.99Å; T777-D779 VanDerWaalsContact O-N 3.11Å; D779-K781 PolarHBondContact O-N 3.16Å; D779-K781 VanDerWaalsContact O-N 3.08Å | ||
| 780 | F | 55.3 | Low | 57.2 | Low | 59.6667 Ų | 59.6667 | 81.4 Ų | 81.4 | 26% | 0.262 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -4.2 | 179.8 | -72.3 | -66.4 | 0 | 0 | 0 | 112 | Y727 Q743 A745 T763 A778 N782 V793 | Y727-F780 AromaticContact CD1-CD2 3.92Å; Y727-F780 HydrophobicContact CD1-CD2 3.92Å; Y727-F780 AromaticContact CD1-CE2 3.88Å; Y727-F780 HydrophobicContact CD1-CE2 3.88Å; Y727-F780 HydrophobicContact CE1-CD2 4.02Å; Y727-F780 HydrophobicContact CE1-CE2 4.41Å; Q743-F780 HydrophobicContact CB-CE2 4.09Å; Q743-F780 HydrophobicContact CB-CZ 4.27Å; Q743-F780 HydrophobicContact CG-CD2 4.32Å; Q743-F780 HydrophobicContact CG-CE1 4.27Å; Q743-F780 HydrophobicContact CG-CE2 3.89Å; Q743-F780 HydrophobicContact CG-CZ 3.95Å; Q743-F780 VanDerWaalsContact NE2-CE2 3.27Å; A745-F780 HydrophobicContact CB-CD1 3.79Å; A745-F780 HydrophobicContact CB-CD2 4.46Å; A745-F780 HydrophobicContact CB-CE1 3.62Å; A745-F780 HydrophobicContact CB-CE2 4.3Å; A745-F780 HydrophobicContact CB-CG 4.18Å; A745-F780 HydrophobicContact CB-CZ 3.84Å; T763-F780 HydrophobicContact CG2-CD1 3.62Å; T763-F780 VanDerWaalsContact CG2-CD1 3.41Å; T763-F780 HydrophobicContact CG2-CE1 3.72Å; T763-F780 HydrophobicContact CG2-CG 4.07Å; T763-F780 HydrophobicContact CG2-CZ 4.26Å; A778-F780 HydrophobicContact CB-CD1 4.21Å; A778-F780 HydrophobicContact CB-CD2 4.21Å; A778-F780 HydrophobicContact CB-CE1 3.74Å; A778-F780 HydrophobicContact CB-CE2 3.86Å; A778-F780 HydrophobicContact CB-CZ 3.85Å; A778-F780 WeakPolarHBondContact O-CD2 3.36Å; A778-F780 PolarHBondContact O-N 2.67Å; F780-N782 VanDerWaalsContact C-N 3.3Å; F780-N782 PolarHBondContact O-N 2.77Å; F780-V793 HydrophobicContact CE1-CG1 3.9Å; F780-V793 HydrophobicContact CE1-CG2 4.26Å; F780-V793 HydrophobicContact CZ-CG1 4.32Å; F780-V793 HydrophobicContact CZ-CG2 4.32Å |
| 781 | K | 50 | Low | 57.8 | Low | 159.333 Ų | 159.333 | 79.4 Ų | 79.4 | 69% | 0.693 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | 3.4 | -178.8 | -76.1 | -176.9 | 175.7 | 177.9 | 0 | 112.8 | D779 | D779-K781 PolarHBondContact O-N 3.16Å; D779-K781 VanDerWaalsContact O-N 3.08Å |
| 782 | N | 44.5 | Very low | 58.9 | Low | 153.667 Ų | 153.667 | 76.8 Ų | 76.8 | 82% | 0.822 | 41% | 0.409 | S | S | * | . | S | Bend | trans | 167.4 | 43.9 | 178.8 | -91.1 | -17.6 | 0 | 0 | 0 | 119.3 | F780 | F780-N782 VanDerWaalsContact C-N 3.3Å; F780-N782 PolarHBondContact O-N 2.77Å |
| 783 | K | 52.4 | Low | 60.1 | Low | 128.333 Ų | 128.333 | 68.3 Ų | 68.3 | 56% | 0.558 | 38% | 0.375 | S | S | * | . | trans | -138.6 | 61.7 | 169 | -69.6 | -175.3 | -179.5 | 175.1 | 0 | 113.9 | A785 T786 D916 | K783-A785 PolarHBondContact O-N 3.08Å; K783-T786 HydrophobicContact CB-CG2 4.35Å; K783-T786 WeakPolarHBondContact CB-OG1 3.42Å; K783-T786 HydrophobicContact CD-CG2 4.2Å; K783-T786 WeakPolarHBondContact CD-OG1 3.46Å; K783-T786 WeakPolarHBondContact CG-OG1 3.47Å; K783-T786 PolarHBondContact O-N 3.4Å; K783-T786 PolarHBondContact O-OG1 2.92Å; K783-D916 IonicContact NZ-OD2 2.75Å; K783-D916 PolarHBondContact NZ-OD2 2.76Å | ||
| 784 | S | 53.9 | Low | 61.2 | Low | 84.3333 Ų | 84.3333 | 66.3 Ų | 66.3 | 59% | 0.59 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 7.7 | 174.4 | 58.2 | 0 | 0 | 0 | 0 | 114.9 | R817 | S784-R817 PolarHBondContact O-NH1 2.91Š|
| 785 | A | 62.5 | Low | 62.4 | Low | 51.6667 Ų | 51.6667 | 59.9 Ų | 59.9 | 43% | 0.427 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130 | 3.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | K783 M919 | K783-A785 PolarHBondContact O-N 3.08Å; A785-M919 WeakPolarHBondContact O-CB 3.08Å; A785-M919 WeakPolarHBondContact O-CG 3.46Å; A785-M919 PolarHBondContact O-N 3.16Å |
| 786 | T | 69.2 | Low | 63.2 | Low | 27.6667 Ų | 27.6667 | 57.8 Ų | 57.8 | 17% | 0.17 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 125.9 | -176.6 | 55.6 | 0 | 0 | 0 | 0 | 112.1 | K783 L917 K918 | K783-T786 HydrophobicContact CB-CG2 4.35Å; K783-T786 WeakPolarHBondContact CB-OG1 3.42Å; K783-T786 HydrophobicContact CD-CG2 4.2Å; K783-T786 WeakPolarHBondContact CD-OG1 3.46Å; K783-T786 WeakPolarHBondContact CG-OG1 3.47Å; K783-T786 PolarHBondContact O-N 3.4Å; K783-T786 PolarHBondContact O-OG1 2.92Å; T786-L917 CarbonylContact C-O 3.47Å; T786-L917 VanDerWaalsContact CA-O 3.3Å; T786-L917 WeakPolarHBondContact CA-O 3.36Å; T786-K918 HydrophobicContact CG2-CG 3.73Å |
| 787 | H | 75.6 | Confident | 64.2 | Low | 3.66667 Ų | 3.66667 | 57.2 Ų | 57.2 | 2% | 0.017 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 123.2 | 170.5 | 177.9 | 67.9 | 0 | 0 | 0 | 109.4 | W789 W791 F870 L917 M919 | H787-W789 AromaticContact NE2-CE3 3.81Å; H787-W789 AromaticContact NE2-CZ3 3.84Å; H787-W791 PolarHBondContact CE1-O 3.24Å; H787-F870 HydrophobicContact CB-CE2 4.25Å; H787-F870 HydrophobicContact CB-CZ 4Å; H787-F870 AromaticContact CE1-CD2 3.76Å; H787-F870 AromaticContact CE1-CE2 3.98Å; H787-F870 AromaticContact CG-CE2 3.76Å; H787-F870 AromaticContact CG-CZ 3.89Å; H787-F870 AromaticContact ND1-CD2 3.91Å; H787-F870 AromaticContact ND1-CE2 3.69Å; H787-F870 AromaticContact NE2-CD2 3.86Å; H787-F870 AromaticContact NE2-CG 3.92Å; H787-L917 HydrophobicContact CB-CB 4.41Å; H787-L917 PolarHBondContact N-O 2.83Å; H787-L917 PolarHBondContact O-N 3.01Å; H787-M919 HydrophobicContact CB-CE 4.26Å |
| 788 | K | 74.3 | Confident | 65.3 | Low | 74.6667 Ų | 74.6667 | 52.4 Ų | 52.4 | 33% | 0.325 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -94.8 | 120.1 | 175.1 | -145 | -178.6 | -178.2 | 179.6 | 0 | 109.6 | G790 W791 D916 | K788-G790 PolarHBondContact O-N 3.04Å; K788-W791 HydrophobicContact CB-CB 4.36Å; K788-W791 HydrophobicContact CB-CG 4.48Å; K788-W791 PolarHBondContact O-N 3.1Å; K788-W791 VanDerWaalsContact O-N 3.14Å; K788-D916 WeakPolarHBondContact CB-OD1 3.5Å; K788-D916 VanDerWaalsContact CE-OD2 3.29Å; K788-D916 WeakPolarHBondContact CE-OD2 3.24Å; K788-D916 VanDerWaalsContact CG-OD1 3.27Å; K788-D916 WeakPolarHBondContact CG-OD1 3.34Å |
| 789 | W | 74.6 | Confident | 66.8 | Low | 31 Ų | 31 | 52.6 Ų | 52.6 | 12% | 0.117 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 136.9 | 178.4 | -69 | 112 | 0 | 0 | 0 | 111.4 | H787 W791 E821 F870 P872 F874 C879 F908 I910 S913 E915 L917 | H787-W789 AromaticContact NE2-CE3 3.81Å; H787-W789 AromaticContact NE2-CZ3 3.84Å; W789-W791 VanDerWaalsContact C-N 3.33Å; W789-E821 HydrophobicContact CE3-CG 4.47Å; W789-E821 HydrophobicContact CZ3-CG 4.49Å; W789-F870 HydrophobicContact CH2-CB 4.45Å; W789-F870 HydrophobicContact CH2-CD1 4.23Å; W789-F870 HydrophobicContact CZ3-CB 4.26Å; W789-P872 HydrophobicContact CE3-CG 4.46Å; W789-P872 HydrophobicContact CH2-CB 4.29Å; W789-P872 HydrophobicContact CZ3-CB 3.8Å; W789-P872 HydrophobicContact CZ3-CG 4Å; W789-F874 HydrophobicContact CD2-CE1 4.45Å; W789-F874 HydrophobicContact CD2-CZ 4.14Å; W789-F874 AromaticContact CE3-CZ 3.97Å; W789-F874 HydrophobicContact CE3-CZ 4.05Å; W789-F874 HydrophobicContact CG-CZ 4.5Å; W789-F874 HydrophobicContact CZ3-CZ 4.47Å; W789-C879 HydrophobicContact CH2-CB 4.12Å; W789-F908 HydrophobicContact CH2-CZ 4.43Å; W789-F908 HydrophobicContact CZ2-CE2 4.35Å; W789-F908 HydrophobicContact CZ2-CZ 4.47Å; W789-I910 HydrophobicContact CH2-CD1 3.9Å; W789-I910 HydrophobicContact CH2-CG1 4.29Å; W789-I910 HydrophobicContact CZ2-CD1 3.98Å; W789-I910 HydrophobicContact CZ2-CG1 4.07Å; W789-I910 HydrophobicContact CZ2-CG2 4.31Å; W789-I910 HydrophobicContact CZ3-CD1 4.45Å; W789-S913 WeakPolarHBondContact CB-O 3.09Å; W789-E915 PolarHBondContact N-O 2.96Å; W789-L917 HydrophobicContact CZ2-CD2 4.29Å |
| 790 | G | 72.5 | Confident | 68.1 | Low | 3.66667 Ų | 3.66667 | 49.9 Ų | 49.9 | 4% | 0.038 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.1 | -8.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | H767 K788 E821 W826 | H767-G790 VanDerWaalsContact ND1-C 3.25Å; H767-G790 PolarHBondContact ND1-O 3.15Å; K788-G790 PolarHBondContact O-N 3.04Å; G790-E821 VanDerWaalsContact CA-OE2 3.27Å; G790-E821 WeakPolarHBondContact CA-OE2 3.34Å; G790-E821 PolarHBondContact N-OE2 2.9Å; G790-W826 VanDerWaalsContact O-CH2 3.28Å; G790-W826 WeakPolarHBondContact O-CH2 3.36Å; G790-W826 VanDerWaalsContact O-CZ2 3.26Å; G790-W826 WeakPolarHBondContact O-CZ2 3.35Å; G790-W826 WeakPolarHBondContact O-CZ3 3.49Å |
| 791 | W | 77 | Confident | 69.4 | Low | 21.6667 Ų | 21.6667 | 51 Ų | 51 | 8% | 0.082 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 129.5 | 178.5 | -71.9 | 81.2 | 0 | 0 | 0 | 111.2 | T741 Q743 H767 A776 A778 H787 K788 W789 V793 | T741-W791 HydrophobicContact CG2-CH2 4.42Å; Q743-W791 HydrophobicContact CB-CH2 4.4Å; Q743-W791 HydrophobicContact CB-CZ3 4.17Å; H767-W791 HydrophobicContact CB-CD2 3.78Å; H767-W791 HydrophobicContact CB-CE3 3.87Å; H767-W791 HydrophobicContact CB-CG 4.42Å; H767-W791 HydrophobicContact CB-CH2 3.94Å; H767-W791 HydrophobicContact CB-CZ2 3.82Å; H767-W791 HydrophobicContact CB-CZ3 3.95Å; H767-W791 AromaticContact CG-CE2 3.93Å; H767-W791 AromaticContact CG-NE1 4Å; A776-W791 WeakPolarHBondContact O-CZ2 3.41Å; A778-W791 HydrophobicContact CB-CD2 4.34Å; A778-W791 HydrophobicContact CB-CE3 4.3Å; A778-W791 HydrophobicContact CB-CH2 4.36Å; A778-W791 HydrophobicContact CB-CZ2 4.43Å; A778-W791 HydrophobicContact CB-CZ3 4.31Å; H787-W791 PolarHBondContact CE1-O 3.24Å; K788-W791 HydrophobicContact CB-CB 4.36Å; K788-W791 HydrophobicContact CB-CG 4.48Å; K788-W791 PolarHBondContact O-N 3.1Å; K788-W791 VanDerWaalsContact O-N 3.14Å; W789-W791 VanDerWaalsContact C-N 3.33Å; W791-V793 HydrophobicContact CB-CG2 3.99Å |
| 792 | S | 79 | Confident | 70.8 | Confident | 1.33333 Ų | 1.33333 | 45.9 Ų | 45.9 | 1% | 0.009 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 126.3 | 161.4 | -68.3 | 0 | 0 | 0 | 0 | 108.6 | G765 W766 D819 E821 W826 | G765-S792 CarbonylContact C-O 3.55Å; G765-S792 VanDerWaalsContact CA-O 3.29Å; G765-S792 WeakPolarHBondContact CA-O 3.33Å; W766-S792 PolarHBondContact N-O 2.97Å; W766-S792 PolarHBondContact O-N 3.07Å; W766-S792 VanDerWaalsContact O-N 3.08Å; S792-D819 CarbonylContact C-O 3.51Å; S792-D819 VanDerWaalsContact CA-O 3.3Å; S792-D819 WeakPolarHBondContact CA-O 3.41Å; S792-E821 PolarHBondContact OG-N 3.03Å; S792-W826 WeakPolarHBondContact OG-CZ3 3.26Å |
| 793 | V | 75.3 | Confident | 72.4 | Confident | 29 Ų | 29 | 40.4 Ų | 40.4 | 18% | 0.176 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 130.3 | -169.1 | -176.8 | 0 | 0 | 0 | 0 | 110.2 | T763 F764 F780 W791 D795 D819 | T763-V793 HydrophobicContact CG2-CG1 4.12Å; F764-V793 CarbonylContact O-C 3.53Å; F764-V793 WeakPolarHBondContact O-CA 3.3Å; F780-V793 HydrophobicContact CE1-CG1 3.9Å; F780-V793 HydrophobicContact CE1-CG2 4.26Å; F780-V793 HydrophobicContact CZ-CG1 4.32Å; F780-V793 HydrophobicContact CZ-CG2 4.32Å; W791-V793 HydrophobicContact CB-CG2 3.99Å; V793-D795 HydrophobicContact CG1-CB 4.27Å; V793-D819 PolarHBondContact N-O 2.93Å; V793-D819 PolarHBondContact O-N 2.97Å |
| 794 | I | 72.4 | Confident | 73.3 | Confident | 23 Ų | 23 | 38.7 Ų | 38.7 | 12% | 0.118 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 113.2 | 161.6 | -49.4 | -168.9 | 0 | 0 | 0 | 106.2 | L761 T763 F764 W766 C798 L815 R817 L818 | L761-I794 HydrophobicContact CD2-CB 4.39Å; L761-I794 HydrophobicContact CD2-CG2 4.24Å; T763-I794 CarbonylContact C-O 3.52Å; T763-I794 VanDerWaalsContact CA-O 3.3Å; T763-I794 WeakPolarHBondContact CA-O 3.3Å; F764-I794 HydrophobicContact CB-CB 4.32Å; F764-I794 HydrophobicContact CD1-CB 4.45Å; F764-I794 HydrophobicContact CD1-CD1 3.79Å; F764-I794 HydrophobicContact CD1-CG1 3.95Å; F764-I794 HydrophobicContact CE1-CD1 4.4Å; F764-I794 PolarHBondContact N-O 3.05Å; F764-I794 PolarHBondContact O-N 3.05Å; W766-I794 HydrophobicContact CZ3-CD1 4.49Å; W766-I794 HydrophobicContact CZ3-CG1 4.31Å; I794-C798 HydrophobicContact CG2-CB 4.31Å; I794-L815 HydrophobicContact CD1-CD2 4.32Å; I794-L815 HydrophobicContact CG2-CD1 3.71Å; I794-L815 HydrophobicContact CG2-CD2 4Å; I794-L815 HydrophobicContact CG2-CG 4.11Å; I794-R817 CarbonylContact C-O 3.56Å; I794-R817 WeakPolarHBondContact CA-O 3.27Å; I794-L818 HydrophobicContact CD1-CD1 4.03Å; I794-L818 HydrophobicContact CG1-CD1 3.64Å |
| 795 | D | 71.9 | Confident | 73.9 | Confident | 45.3333 Ų | 45.3333 | 39 Ų | 39 | 24% | 0.242 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 131.1 | -179.9 | -168.9 | 24 | 0 | 0 | 0 | 111.2 | T763 V793 R817 | T763-D795 PolarHBondContact OG1-OD1 2.82Å; V793-D795 HydrophobicContact CG1-CB 4.27Å; D795-R817 HydrophobicContact CB-CB 4.38Å; D795-R817 PolarHBondContact N-O 2.96Å; D795-R817 WeakPolarHBondContact O-CB 3.36Å; D795-R817 PolarHBondContact O-N 2.99Å |
| 796 | G | 66.5 | Low | 73.9 | Confident | 8 Ų | 8 | 46.3 Ų | 46.3 | 8% | 0.082 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 94.6 | 160.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115 | H762 C798 | H762-G796 CarbonylContact O-C 3.49Å; H762-G796 WeakPolarHBondContact O-CA 3.32Å; H762-G796 PolarHBondContact O-N 3Å; G796-C798 PolarHBondContact O-N 2.87Å |
| 797 | A | 68.6 | Low | 73.8 | Confident | 46.6667 Ų | 46.6667 | 48.1 Ų | 48.1 | 39% | 0.386 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 102.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 798 | C | 73.6 | Confident | 73.3 | Confident | 2.33333 Ų | 2.33333 | 50.5 Ų | 50.5 | 2% | 0.016 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 114.9 | 170.5 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | G760 L761 I794 G796 F800 Y814 L815 | G760-C798 CarbonylContact C-O 3.55Å; G760-C798 VanDerWaalsContact CA-O 3.25Å; G760-C798 WeakPolarHBondContact CA-O 3.42Å; L761-C798 HydrophobicContact CB-CB 4.1Å; L761-C798 HydrophobicContact CD2-CB 4.22Å; L761-C798 PolarHBondContact N-O 3.34Å; L761-C798 WeakPolarHBondContact O-CA 3.29Å; L761-C798 VanDerWaalsContact O-CB 3.28Å; L761-C798 WeakPolarHBondContact O-CB 3.22Å; L761-C798 PolarHBondContact O-N 3.09Å; I794-C798 HydrophobicContact CG2-CB 4.31Å; G796-C798 PolarHBondContact O-N 2.87Å; C798-F800 WeakPolarHBondContact SG-CE2 3.31Å; C798-F800 WeakPolarHBondContact SG-CZ 3.39Å; C798-Y814 CarbonylContact C-O 3.55Å; C798-Y814 WeakPolarHBondContact CA-O 3.35Å; C798-Y814 PolarHBondContact SG-O 2.88Å; C798-L815 HydrophobicContact CB-CD1 3.65Å; C798-L815 HydrophobicContact CB-CD2 4.04Å; C798-L815 HydrophobicContact CB-CG 4.27Å; C798-L815 WeakPolarHBondContact SG-CD1 3.41Å; C798-L815 VanDerWaalsContact SG-CD2 3.51Å; C798-L815 VanDerWaalsContact SG-CG 3.56Å; C798-L815 WeakPolarHBondContact SG-CG 3.26Å |
| 799 | V | 81.1 | Confident | 73.3 | Confident | 23 Ų | 23 | 47.3 Ų | 47.3 | 14% | 0.139 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 120.7 | -177 | -175 | 0 | 0 | 0 | 0 | 110.3 | Y748 E758 F759 K801 A813 Y814 | Y748-V799 WeakPolarHBondContact OH-CG2 3.39Å; E758-V799 HydrophobicContact CG-CG1 3.81Å; E758-V799 WeakPolarHBondContact OE1-CG1 3.26Å; F759-V799 CarbonylContact O-C 3.45Å; V799-K801 HydrophobicContact CG1-CG 4.19Å; V799-A813 CarbonylContact O-C 3.58Å; V799-A813 VanDerWaalsContact O-CA 3.3Å; V799-A813 WeakPolarHBondContact O-CA 3.34Å; V799-Y814 PolarHBondContact N-O 3.31Å; V799-Y814 VanDerWaalsContact N-O 3.14Å; V799-Y814 PolarHBondContact O-N 2.82Å; V799-Y814 VanDerWaalsContact O-N 3.1Å |
| 800 | F | 80.8 | Confident | 73.5 | Confident | 70.3333 Ų | 70.3333 | 49.5 Ų | 49.5 | 31% | 0.308 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 113.3 | 174.4 | -60.1 | -97.1 | 0 | 0 | 0 | 109.8 | E758 F759 C798 Q812 A813 | E758-F800 CarbonylContact C-O 3.48Å; E758-F800 VanDerWaalsContact CA-O 3.26Å; E758-F800 WeakPolarHBondContact CA-O 3.31Å; F759-F800 HydrophobicContact CB-CB 4.25Å; F759-F800 HydrophobicContact CD1-CB 4.43Å; F759-F800 AromaticContact CD1-CD2 3.56Å; F759-F800 HydrophobicContact CD1-CD2 3.56Å; F759-F800 VanDerWaalsContact CD1-CD2 3.48Å; F759-F800 AromaticContact CD1-CE2 3.96Å; F759-F800 HydrophobicContact CD1-CE2 4.07Å; F759-F800 HydrophobicContact CD1-CG 4.31Å; F759-F800 HydrophobicContact CE1-CD2 4.19Å; F759-F800 HydrophobicContact CE1-CE2 4.24Å; F759-F800 PolarHBondContact N-O 3.01Å; F759-F800 PolarHBondContact O-N 2.93Å; C798-F800 WeakPolarHBondContact SG-CE2 3.31Å; C798-F800 WeakPolarHBondContact SG-CZ 3.39Å; F800-Q812 CarbonylContact C-O 3.55Å; F800-Q812 VanDerWaalsContact CA-O 3.27Å; F800-Q812 WeakPolarHBondContact CA-O 3.32Å; F800-A813 HydrophobicContact CD1-CB 3.56Å; F800-A813 HydrophobicContact CE1-CB 3.72Å; F800-A813 HydrophobicContact CG-CB 4.35Å |
| 801 | K | 81.6 | Confident | 73.9 | Confident | 81.75 Ų | 81.75 | 50.9 Ų | 50.9 | 36% | 0.355 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 120 | 173.8 | -63.2 | 177.3 | -178.5 | 173.9 | 0 | 109.2 | E758 V799 V811 Q812 | E758-K801 HydrophobicContact CG-CG 4.3Å; V799-K801 HydrophobicContact CG1-CG 4.19Å; K801-V811 WeakPolarHBondContact O-CA 3.19Å; K801-Q812 HydrophobicContact CB-CB 4.37Å; K801-Q812 PolarHBondContact N-O 2.76Å; K801-Q812 PolarHBondContact O-N 2.99Å |
| 802 | L | 79.2 | Confident | 74.2 | Confident | 53 Ų | 53 | 52.4 Ų | 52.4 | 28% | 0.277 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 122 | 176.7 | -108.2 | 118.8 | 0 | 0 | 0 | 109.4 | K756 S757 H804 T809 V811 | K756-L802 WeakPolarHBondContact CA-O 3.41Å; S757-L802 PolarHBondContact N-O 2.97Å; S757-L802 PolarHBondContact O-N 3.18Å; S757-L802 VanDerWaalsContact OG-CB 3.25Å; S757-L802 WeakPolarHBondContact OG-CB 3.48Å; L802-H804 WeakPolarHBondContact CD2-NE2 3.44Å; L802-T809 HydrophobicContact CD2-CG2 3.91Å; L802-V811 HydrophobicContact CD1-CB 4.34Å; L802-V811 HydrophobicContact CD1-CG1 4.25Å; L802-V811 HydrophobicContact CD1-CG2 3.57Å; L802-V811 HydrophobicContact CD2-CG2 3.92Å; L802-V811 HydrophobicContact CG-CG2 4.22Å |
| 803 | H | 78.7 | Confident | 74.4 | Confident | 38.75 Ų | 38.75 | 52.6 Ų | 52.6 | 18% | 0.179 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 119.3 | 178 | -68.5 | -89.6 | 0 | 0 | 0 | 110.2 | I755 K756 L805 T809 F810 | I755-H803 CarbonylContact O-C 3.57Å; I755-H803 WeakPolarHBondContact O-CA 3.35Å; K756-H803 VanDerWaalsContact CD-CE1 3.41Å; K756-H803 WeakPolarHBondContact CD-CE1 3.32Å; K756-H803 WeakPolarHBondContact CE-CE1 3.43Å; K756-H803 WeakPolarHBondContact CE-ND1 3.36Å; K756-H803 WeakPolarHBondContact CG-ND1 3.41Å; H803-L805 HydrophobicContact CB-CD1 4.38Å; H803-T809 WeakPolarHBondContact O-CA 3.27Å; H803-F810 HydrophobicContact CB-CB 4.24Å; H803-F810 HydrophobicContact CB-CD1 4.49Å; H803-F810 PolarHBondContact N-O 3.01Å; H803-F810 PolarHBondContact O-N 3.03Å |
| 804 | H | 70.5 | Confident | 74.9 | Confident | 92.5 Ų | 92.5 | 55.5 Ų | 55.5 | 43% | 0.428 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 92 | 176 | -82.2 | -75.1 | 0 | 0 | 0 | 111.4 | I755 L802 T809 | I755-H804 HydrophobicContact CG2-CB 4.46Å; I755-H804 WeakPolarHBondContact CG2-O 3.36Å; I755-H804 PolarHBondContact O-N 2.82Å; L802-H804 WeakPolarHBondContact CD2-NE2 3.44Å; H804-T809 WeakPolarHBondContact CE1-CG2 3.36Å; H804-T809 PolarHBondContact CE1-OG1 3.18Å; H804-T809 WeakPolarHBondContact ND1-CG2 3.28Å; H804-T809 PolarHBondContact ND1-OG1 3.26Å; H804-T809 WeakPolarHBondContact NE2-CG2 3.48Å |
| 805 | L | 66.4 | Low | 75.4 | Confident | 89 Ų | 89 | 55.2 Ų | 55.2 | 47% | 0.466 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 127.7 | -179 | -82.1 | 146.8 | 0 | 0 | 0 | 110.2 | I755 H803 G807 C808 | I755-L805 HydrophobicContact CG2-CG 4.34Å; H803-L805 HydrophobicContact CB-CD1 4.38Å; L805-G807 VanDerWaalsContact C-N 3.31Å; L805-G807 PolarHBondContact O-N 3.21Å; L805-G807 VanDerWaalsContact O-N 3.15Å; L805-C808 PolarHBondContact N-O 3.18Å; L805-C808 VanDerWaalsContact N-O 3.13Å; L805-C808 WeakPolarHBondContact O-CA 3.41Å; L805-C808 WeakPolarHBondContact O-CB 3.49Å; L805-C808 PolarHBondContact O-N 2.96Å; L805-C808 VanDerWaalsContact O-O 3.04Å |
| 806 | F | 64.2 | Low | 75.9 | Confident | 206.25 Ų | 206.25 | 60.7 Ų | 60.7 | 91% | 0.905 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 41.3 | 171.1 | -54.4 | -75.2 | 0 | 0 | 0 | 115.5 | C808 | F806-C808 VanDerWaalsContact C-N 3.27Å; F806-C808 PolarHBondContact O-N 3.05Å |
| 807 | G | 65.8 | Low | 76.6 | Confident | 66 Ų | 66 | 61.5 Ų | 61.5 | 68% | 0.68 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | -1.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L805 | L805-G807 VanDerWaalsContact C-N 3.31Å; L805-G807 PolarHBondContact O-N 3.21Å; L805-G807 VanDerWaalsContact O-N 3.15Å |
| 808 | C | 65.2 | Low | 77.3 | Confident | 53.75 Ų | 53.75 | 60.6 Ų | 60.6 | 36% | 0.363 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 140.2 | 169.5 | -76.7 | 0 | 0 | 0 | 0 | 110.9 | L805 F806 K857 | L805-C808 PolarHBondContact N-O 3.18Å; L805-C808 VanDerWaalsContact N-O 3.13Å; L805-C808 WeakPolarHBondContact O-CA 3.41Å; L805-C808 WeakPolarHBondContact O-CB 3.49Å; L805-C808 PolarHBondContact O-N 2.96Å; L805-C808 VanDerWaalsContact O-O 3.04Å; F806-C808 VanDerWaalsContact C-N 3.27Å; F806-C808 PolarHBondContact O-N 3.05Å; C808-K857 VanDerWaalsContact CA-O 3.28Å; C808-K857 WeakPolarHBondContact CA-O 3.32Å; C808-K857 VanDerWaalsContact SG-CB 3.54Å; C808-K857 WeakPolarHBondContact SG-CB 3.33Å |
| 809 | T | 74.4 | Confident | 77.7 | Confident | 8 Ų | 8 | 61 Ų | 61 | 5% | 0.049 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 113.9 | 173 | -29.9 | 0 | 0 | 0 | 0 | 108.6 | L802 H803 H804 V811 K857 Y858 A859 | L802-T809 HydrophobicContact CD2-CG2 3.91Å; H803-T809 WeakPolarHBondContact O-CA 3.27Å; H804-T809 WeakPolarHBondContact CE1-CG2 3.36Å; H804-T809 PolarHBondContact CE1-OG1 3.18Å; H804-T809 WeakPolarHBondContact ND1-CG2 3.28Å; H804-T809 PolarHBondContact ND1-OG1 3.26Å; H804-T809 WeakPolarHBondContact NE2-CG2 3.48Å; T809-V811 HydrophobicContact CG2-CG2 4.23Å; T809-K857 PolarHBondContact N-O 3.13Å; T809-K857 VanDerWaalsContact N-O 3.14Å; T809-K857 PolarHBondContact OG1-O 3.4Å; T809-Y858 HydrophobicContact CG2-CD1 4.45Å; T809-Y858 HydrophobicContact CG2-CE1 4.39Å; T809-Y858 WeakPolarHBondContact O-CA 3.13Å; T809-Y858 WeakPolarHBondContact OG1-CD1 3.47Å; T809-Y858 WeakPolarHBondContact OG1-CE1 3.24Å; T809-A859 PolarHBondContact O-N 3.2Å |
| 810 | F | 78.9 | Confident | 77.7 | Confident | 76.25 Ų | 76.25 | 62 Ų | 62 | 33% | 0.334 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 121.8 | 176.1 | -175.3 | -102.9 | 0 | 0 | 0 | 109.7 | H803 Q812 A859 K861 | H803-F810 HydrophobicContact CB-CB 4.24Å; H803-F810 HydrophobicContact CB-CD1 4.49Å; H803-F810 PolarHBondContact N-O 3.01Å; H803-F810 PolarHBondContact O-N 3.03Å; F810-Q812 HydrophobicContact CD1-CB 4.41Å; F810-Q812 HydrophobicContact CD1-CG 4.11Å; F810-Q812 HydrophobicContact CE1-CB 3.85Å; F810-Q812 HydrophobicContact CE1-CG 3.79Å; F810-Q812 HydrophobicContact CE2-CG 4.44Å; F810-Q812 HydrophobicContact CZ-CB 4.39Å; F810-Q812 HydrophobicContact CZ-CG 3.49Å; F810-Q812 VanDerWaalsContact CZ-CG 3.49Å; F810-Q812 VanDerWaalsContact CZ-NE2 3.27Å; F810-A859 CarbonylContact C-O 3.49Å; F810-A859 VanDerWaalsContact CA-O 3.3Å; F810-A859 WeakPolarHBondContact CA-O 3.35Å; F810-A859 HydrophobicContact CD2-CB 3.84Å; F810-A859 HydrophobicContact CE2-CB 4.13Å; F810-K861 HydrophobicContact CE2-CB 4.44Å; F810-K861 HydrophobicContact CZ-CB 4.14Å |
| 811 | V | 80.6 | Confident | 77.7 | Confident | 32.5 Ų | 32.5 | 59.1 Ų | 59.1 | 20% | 0.197 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 116 | -179.8 | -175 | 0 | 0 | 0 | 0 | 108.6 | K801 L802 T809 A859 F860 K861 | K801-V811 WeakPolarHBondContact O-CA 3.19Å; L802-V811 HydrophobicContact CD1-CB 4.34Å; L802-V811 HydrophobicContact CD1-CG1 4.25Å; L802-V811 HydrophobicContact CD1-CG2 3.57Å; L802-V811 HydrophobicContact CD2-CG2 3.92Å; L802-V811 HydrophobicContact CG-CG2 4.22Å; T809-V811 HydrophobicContact CG2-CG2 4.23Å; V811-A859 PolarHBondContact N-O 3.07Å; V811-F860 HydrophobicContact CB-CB 4.16Å; V811-F860 HydrophobicContact CB-CD1 3.54Å; V811-F860 HydrophobicContact CB-CD2 3.82Å; V811-F860 HydrophobicContact CB-CE1 3.95Å; V811-F860 HydrophobicContact CB-CG 4.4Å; V811-F860 HydrophobicContact CG1-CD1 4.11Å; V811-F860 HydrophobicContact CG1-CD2 3.72Å; V811-F860 HydrophobicContact CG1-CE1 4.44Å; V811-F860 HydrophobicContact CG1-CE2 4.07Å; V811-F860 HydrophobicContact CG2-CD1 3.6Å; V811-F860 HydrophobicContact CG2-CE1 3.48Å; V811-F860 VanDerWaalsContact CG2-CE1 3.48Å; V811-F860 HydrophobicContact CG2-CZ 4.34Å; V811-F860 CarbonylContact O-C 3.46Å; V811-F860 VanDerWaalsContact O-CA 3.25Å; V811-F860 WeakPolarHBondContact O-CA 3.42Å; V811-F860 VanDerWaalsContact O-CD2 3.26Å; V811-F860 WeakPolarHBondContact O-CD2 3.4Å; V811-K861 PolarHBondContact O-N 2.97Å |
| 812 | Q | 83.4 | Confident | 77.4 | Confident | 54.25 Ų | 54.25 | 56.8 Ų | 56.8 | 25% | 0.254 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 123.9 | 174.4 | -151.1 | 175.6 | -4.6 | 0 | 0 | 109.7 | F800 K801 F810 Y814 K861 | F800-Q812 CarbonylContact C-O 3.55Å; F800-Q812 VanDerWaalsContact CA-O 3.27Å; F800-Q812 WeakPolarHBondContact CA-O 3.32Å; K801-Q812 HydrophobicContact CB-CB 4.37Å; K801-Q812 PolarHBondContact N-O 2.76Å; K801-Q812 PolarHBondContact O-N 2.99Å; F810-Q812 HydrophobicContact CD1-CB 4.41Å; F810-Q812 HydrophobicContact CD1-CG 4.11Å; F810-Q812 HydrophobicContact CE1-CB 3.85Å; F810-Q812 HydrophobicContact CE1-CG 3.79Å; F810-Q812 HydrophobicContact CE2-CG 4.44Å; F810-Q812 HydrophobicContact CZ-CB 4.39Å; F810-Q812 HydrophobicContact CZ-CG 3.49Å; F810-Q812 VanDerWaalsContact CZ-CG 3.49Å; F810-Q812 VanDerWaalsContact CZ-NE2 3.27Å; Q812-Y814 HydrophobicContact CB-CE2 4.27Å; Q812-Y814 HydrophobicContact CG-CD2 4.49Å; Q812-Y814 HydrophobicContact CG-CE2 3.77Å; Q812-Y814 PolarHBondContact NE2-OH 2.99Å; Q812-K861 CarbonylContact C-O 3.56Å; Q812-K861 VanDerWaalsContact CA-O 3.28Å; Q812-K861 WeakPolarHBondContact CA-O 3.44Å; Q812-K861 HydrophobicContact CG-CB 4.23Å |
| 813 | A | 84.2 | Confident | 77.2 | Confident | 4.25 Ų | 4.25 | 56.6 Ų | 56.6 | 4% | 0.035 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 135.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110 | V799 F800 F860 K861 L862 N863 | V799-A813 CarbonylContact O-C 3.58Å; V799-A813 VanDerWaalsContact O-CA 3.3Å; V799-A813 WeakPolarHBondContact O-CA 3.34Å; F800-A813 HydrophobicContact CD1-CB 3.56Å; F800-A813 HydrophobicContact CE1-CB 3.72Å; F800-A813 HydrophobicContact CG-CB 4.35Å; A813-F860 HydrophobicContact CB-CE2 3.9Å; A813-F860 HydrophobicContact CB-CZ 4.38Å; A813-K861 PolarHBondContact N-O 3.06Å; A813-L862 HydrophobicContact CB-CD1 3.56Å; A813-L862 VanDerWaalsContact CB-CD1 3.49Å; A813-L862 CarbonylContact O-C 3.52Å; A813-L862 WeakPolarHBondContact O-CA 3.32Å; A813-N863 PolarHBondContact O-N 3.16Å |
| 814 | Y | 84.7 | Confident | 76.6 | Confident | 90.75 Ų | 90.75 | 57.1 Ų | 57.1 | 36% | 0.356 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 132.4 | 172 | -125.8 | -96.3 | 0 | 0 | 0 | 108.2 | C798 V799 Q812 N863 D865 | C798-Y814 CarbonylContact C-O 3.55Å; C798-Y814 WeakPolarHBondContact CA-O 3.35Å; C798-Y814 PolarHBondContact SG-O 2.88Å; V799-Y814 PolarHBondContact N-O 3.31Å; V799-Y814 VanDerWaalsContact N-O 3.14Å; V799-Y814 PolarHBondContact O-N 2.82Å; V799-Y814 VanDerWaalsContact O-N 3.1Å; Q812-Y814 HydrophobicContact CB-CE2 4.27Å; Q812-Y814 HydrophobicContact CG-CD2 4.49Å; Q812-Y814 HydrophobicContact CG-CE2 3.77Å; Q812-Y814 PolarHBondContact NE2-OH 2.99Å; Y814-N863 CarbonylContact C-O 3.53Å; Y814-N863 VanDerWaalsContact CA-O 3.29Å; Y814-N863 WeakPolarHBondContact CA-O 3.39Å; Y814-N863 HydrophobicContact CD1-CB 3.77Å; Y814-N863 HydrophobicContact CD2-CB 3.94Å; Y814-N863 HydrophobicContact CE1-CB 4.02Å; Y814-N863 VanDerWaalsContact CE1-ND2 3.32Å; Y814-N863 WeakPolarHBondContact CE1-ND2 3.4Å; Y814-N863 HydrophobicContact CG-CB 4.5Å; Y814-D865 WeakPolarHBondContact CE2-OD1 3.39Å; Y814-D865 PolarHBondContact OH-OD1 3.16Å; Y814-D865 PolarHBondContact OH-OD2 3.11Å |
| 815 | L | 82.8 | Confident | 76.4 | Confident | 17.5 Ų | 17.5 | 58.3 Ų | 58.3 | 9% | 0.092 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 132.4 | 174.7 | -88.7 | 98.3 | 0 | 0 | 0 | 108.5 | I794 C798 L818 L862 N863 V864 D865 | I794-L815 HydrophobicContact CD1-CD2 4.32Å; I794-L815 HydrophobicContact CG2-CD1 3.71Å; I794-L815 HydrophobicContact CG2-CD2 4Å; I794-L815 HydrophobicContact CG2-CG 4.11Å; C798-L815 HydrophobicContact CB-CD1 3.65Å; C798-L815 HydrophobicContact CB-CD2 4.04Å; C798-L815 HydrophobicContact CB-CG 4.27Å; C798-L815 WeakPolarHBondContact SG-CD1 3.41Å; C798-L815 VanDerWaalsContact SG-CD2 3.51Å; C798-L815 VanDerWaalsContact SG-CG 3.56Å; C798-L815 WeakPolarHBondContact SG-CG 3.26Å; L815-L818 HydrophobicContact CD2-CB 3.86Å; L815-L818 HydrophobicContact CD2-CD2 4.11Å; L815-L818 HydrophobicContact CD2-CG 4.45Å; L815-L862 HydrophobicContact CD1-CD1 3.42Å; L815-L862 VanDerWaalsContact CD1-CD1 3.49Å; L815-L862 HydrophobicContact CD1-CG 4.22Å; L815-N863 PolarHBondContact N-O 3.15Å; L815-V864 HydrophobicContact CB-CB 4.26Å; L815-V864 HydrophobicContact CB-CG1 3.83Å; L815-V864 HydrophobicContact CB-CG2 4.03Å; L815-V864 HydrophobicContact CD1-CG2 3.97Å; L815-V864 HydrophobicContact CD2-CG1 4.03Å; L815-V864 HydrophobicContact CD2-CG2 4.26Å; L815-V864 HydrophobicContact CG-CG1 4.42Å; L815-V864 CarbonylContact O-C 3.51Å; L815-V864 VanDerWaalsContact O-CA 3.22Å; L815-V864 WeakPolarHBondContact O-CA 3.44Å; L815-D865 PolarHBondContact O-N 2.93Å |
| 816 | R | 83.3 | Confident | 76.6 | Confident | 160.5 Ų | 160.5 | 55 Ų | 55 | 61% | 0.606 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.9 | -63.1 | 176.7 | -172.8 | -179.4 | 178.8 | 176.8 | -0.6 | 110.4 | D865 E866 | R816-D865 CarbonylContact O-C 3.46Å; R816-D865 VanDerWaalsContact O-CB 3.29Å; R816-D865 WeakPolarHBondContact O-CB 3.36Å; R816-D865 PolarHBondContact O-N 2.8Å; R816-E866 PolarHBondContact O-N 3.08Å |
| 817 | R | 81.5 | Confident | 76.7 | Confident | 24.25 Ų | 24.25 | 46.8 Ų | 46.8 | 9% | 0.092 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 138.8 | -179 | -177.8 | 171.4 | 168 | -178.2 | -9 | 112.4 | S784 I794 D795 D819 E866 | S784-R817 PolarHBondContact O-NH1 2.91Å; I794-R817 CarbonylContact C-O 3.56Å; I794-R817 WeakPolarHBondContact CA-O 3.27Å; D795-R817 HydrophobicContact CB-CB 4.38Å; D795-R817 PolarHBondContact N-O 2.96Å; D795-R817 WeakPolarHBondContact O-CB 3.36Å; D795-R817 PolarHBondContact O-N 2.99Å; R817-D819 IonicContact CZ-OD1 3.32Å; R817-D819 IonicContact CZ-OD2 3.49Å; R817-D819 IonicContact NE-OD1 2.73Å; R817-D819 PolarHBondContact NE-OD1 3.28Å; R817-D819 VanDerWaalsContact NE-OD1 3.1Å; R817-D819 IonicContact NE-OD2 3.42Å; R817-D819 PolarHBondContact NE-OD2 2.9Å; R817-D819 VanDerWaalsContact NE-OD2 3.11Å; R817-D819 IonicContact NH2-OD1 3.51Å; R817-D819 IonicContact NH2-OD2 3.45Å; R817-D819 PolarHBondContact NH2-OD2 2.94Å; R817-E866 CarbonylContact C-O 3.54Å; R817-E866 VanDerWaalsContact CA-O 3.31Å; R817-E866 WeakPolarHBondContact CA-O 3.34Å; R817-E866 HydrophobicContact CB-CB 4.44Å; R817-E866 HydrophobicContact CG-CB 4.29Å; R817-E866 HydrophobicContact CG-CG 4.46Å; R817-E866 IonicContact NE-OE2 3.65Å |
| 818 | L | 83.5 | Confident | 76.6 | Confident | 27.75 Ų | 27.75 | 50.1 Ų | 50.1 | 15% | 0.145 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 106 | 178.9 | 174.8 | 65.2 | 0 | 0 | 0 | 109.8 | I794 L815 L820 V864 E866 I867 S868 | I794-L818 HydrophobicContact CD1-CD1 4.03Å; I794-L818 HydrophobicContact CG1-CD1 3.64Å; L815-L818 HydrophobicContact CD2-CB 3.86Å; L815-L818 HydrophobicContact CD2-CD2 4.11Å; L815-L818 HydrophobicContact CD2-CG 4.45Å; L818-L820 HydrophobicContact CD1-CD1 4.42Å; L818-L820 HydrophobicContact CD1-CD2 3.9Å; L818-L820 HydrophobicContact CD1-CG 3.99Å; L818-L820 HydrophobicContact CD2-CD1 4Å; L818-L820 HydrophobicContact CD2-CG 4.31Å; L818-L820 HydrophobicContact CG-CD1 4.17Å; L818-L820 HydrophobicContact CG-CD2 4.38Å; L818-L820 HydrophobicContact CG-CG 3.92Å; L818-V864 HydrophobicContact CB-CG1 4.48Å; L818-E866 PolarHBondContact N-O 3.07Å; L818-I867 HydrophobicContact CB-CG1 4.33Å; L818-I867 HydrophobicContact CD2-CD1 4.49Å; L818-I867 HydrophobicContact CD2-CG1 4.3Å; L818-I867 HydrophobicContact CD2-CG2 4.12Å; L818-I867 HydrophobicContact CG-CG2 4.42Å; L818-I867 CarbonylContact O-C 3.54Å; L818-I867 WeakPolarHBondContact O-CA 3.38Å; L818-S868 PolarHBondContact O-N 3.23Å |
| 819 | D | 81.6 | Confident | 76.7 | Confident | 10.25 Ų | 10.25 | 48.9 Ų | 48.9 | 6% | 0.055 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 113.5 | 173.9 | -68.5 | -6.1 | 0 | 0 | 0 | 109.2 | S792 V793 R817 S868 F870 | S792-D819 CarbonylContact C-O 3.51Å; S792-D819 VanDerWaalsContact CA-O 3.3Å; S792-D819 WeakPolarHBondContact CA-O 3.41Å; V793-D819 PolarHBondContact N-O 2.93Å; V793-D819 PolarHBondContact O-N 2.97Å; R817-D819 IonicContact CZ-OD1 3.32Å; R817-D819 IonicContact CZ-OD2 3.49Å; R817-D819 IonicContact NE-OD1 2.73Å; R817-D819 PolarHBondContact NE-OD1 3.28Å; R817-D819 VanDerWaalsContact NE-OD1 3.1Å; R817-D819 IonicContact NE-OD2 3.42Å; R817-D819 PolarHBondContact NE-OD2 2.9Å; R817-D819 VanDerWaalsContact NE-OD2 3.11Å; R817-D819 IonicContact NH2-OD1 3.51Å; R817-D819 IonicContact NH2-OD2 3.45Å; R817-D819 PolarHBondContact NH2-OD2 2.94Å; D819-S868 CarbonylContact C-O 3.5Å; D819-S868 WeakPolarHBondContact CA-O 3.34Å; D819-S868 VanDerWaalsContact OD1-CB 3.24Å; D819-S868 WeakPolarHBondContact OD1-CB 3.37Å; D819-S868 PolarHBondContact OD1-OG 3.05Å; D819-S868 VanDerWaalsContact OD1-OG 3.13Å; D819-F870 HydrophobicContact CB-CE2 4.41Å |
| 820 | L | 81.3 | Confident | 76.3 | Confident | 44.25 Ų | 44.25 | 50.2 Ų | 50.2 | 23% | 0.232 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 126.7 | -179.2 | -68.2 | 174 | 0 | 0 | 0 | 110.2 | W766 L818 S868 I869 F870 | W766-L820 HydrophobicContact CH2-CD2 3.47Å; W766-L820 HydrophobicContact CZ2-CD2 3.66Å; L818-L820 HydrophobicContact CD1-CD1 4.42Å; L818-L820 HydrophobicContact CD1-CD2 3.9Å; L818-L820 HydrophobicContact CD1-CG 3.99Å; L818-L820 HydrophobicContact CD2-CD1 4Å; L818-L820 HydrophobicContact CD2-CG 4.31Å; L818-L820 HydrophobicContact CG-CD1 4.17Å; L818-L820 HydrophobicContact CG-CD2 4.38Å; L818-L820 HydrophobicContact CG-CG 3.92Å; L820-S868 PolarHBondContact N-O 3.06Å; L820-I869 HydrophobicContact CB-CG1 4.42Å; L820-I869 HydrophobicContact CB-CG2 4.46Å; L820-I869 HydrophobicContact CD1-CG1 4.33Å; L820-I869 CarbonylContact O-C 3.54Å; L820-I869 WeakPolarHBondContact O-CA 3.4Å; L820-F870 PolarHBondContact O-N 3.03Å |
| 821 | E | 80.1 | Confident | 75.7 | Confident | 9 Ų | 9 | 48 Ų | 48 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 113.2 | 169.6 | -168.9 | -177.8 | 168.2 | 0 | 0 | 109.8 | W789 G790 S792 R823 W826 F870 P872 | W789-E821 HydrophobicContact CE3-CG 4.47Å; W789-E821 HydrophobicContact CZ3-CG 4.49Å; G790-E821 VanDerWaalsContact CA-OE2 3.27Å; G790-E821 WeakPolarHBondContact CA-OE2 3.34Å; G790-E821 PolarHBondContact N-OE2 2.9Å; S792-E821 PolarHBondContact OG-N 3.03Å; E821-R823 HydrophobicContact CG-CG 4.19Å; E821-R823 PolarHBondContact O-N 3.02Å; E821-R823 IonicContact OE1-CZ 2.94Å; E821-R823 VanDerWaalsContact OE1-CZ 3.23Å; E821-R823 IonicContact OE1-NE 2.97Å; E821-R823 PolarHBondContact OE1-NE 3.11Å; E821-R823 IonicContact OE1-NH2 3.13Å; E821-R823 PolarHBondContact OE1-NH2 2.98Å; E821-R823 IonicContact OE2-NE 2.96Å; E821-R823 IonicContact OE2-NH2 3.26Å; E821-W826 HydrophobicContact CB-CH2 4.11Å; E821-W826 HydrophobicContact CB-CZ3 3.75Å; E821-W826 HydrophobicContact CG-CH2 4.39Å; E821-W826 HydrophobicContact CG-CZ3 4.39Å; E821-W826 VanDerWaalsContact O-CE3 3.24Å; E821-W826 VanDerWaalsContact O-CZ3 3.24Å; E821-W826 WeakPolarHBondContact O-CZ3 3.17Å; E821-W826 WeakPolarHBondContact OE2-CH2 3.47Å; E821-F870 CarbonylContact C-O 3.54Å; E821-F870 WeakPolarHBondContact CA-O 3.34Å; E821-F870 HydrophobicContact CG-CB 4.48Å; E821-P872 HydrophobicContact CG-CG 4.01Å |
| 822 | C | 75.3 | Confident | 75 | Confident | 33.25 Ų | 33.25 | 53.7 Ų | 53.7 | 23% | 0.225 | 24% | 0.242 | C | C | . | . | trans | -94.3 | 78.8 | -177.2 | -122.2 | 0 | 0 | 0 | 0 | 110.8 | I824 I827 I869 F870 I871 F974 | C822-I824 PolarHBondContact O-N 3.16Å; C822-I827 HydrophobicContact CB-CD1 4.33Å; C822-I827 WeakPolarHBondContact SG-CD1 3.19Å; C822-I869 HydrophobicContact CB-CG2 4.43Å; C822-F870 PolarHBondContact N-O 3.29Å; C822-I871 HydrophobicContact CB-CG1 4.15Å; C822-F974 WeakPolarHBondContact SG-CZ 3.32Å | ||
| 823 | R | 74.7 | Confident | 74.1 | Confident | 50.25 Ų | 50.25 | 52 Ų | 52 | 19% | 0.19 | 24% | 0.235 | C | C | . | . | trans | -81.1 | 134.1 | 170.4 | -62.9 | -161.2 | -173.7 | 179.8 | 1 | 111.5 | E821 E825 W826 I827 P872 F874 | E821-R823 HydrophobicContact CG-CG 4.19Å; E821-R823 PolarHBondContact O-N 3.02Å; E821-R823 IonicContact OE1-CZ 2.94Å; E821-R823 VanDerWaalsContact OE1-CZ 3.23Å; E821-R823 IonicContact OE1-NE 2.97Å; E821-R823 PolarHBondContact OE1-NE 3.11Å; E821-R823 IonicContact OE1-NH2 3.13Å; E821-R823 PolarHBondContact OE1-NH2 2.98Å; E821-R823 IonicContact OE2-NE 2.96Å; E821-R823 IonicContact OE2-NH2 3.26Å; R823-E825 VanDerWaalsContact C-N 3.28Å; R823-E825 PolarHBondContact O-N 3.13Å; R823-E825 VanDerWaalsContact O-N 3.15Å; R823-W826 HydrophobicContact CB-CB 4.18Å; R823-W826 HydrophobicContact CB-CD2 3.81Å; R823-W826 HydrophobicContact CB-CE3 4.12Å; R823-W826 HydrophobicContact CB-CG 3.77Å; R823-W826 VanDerWaalsContact CD-CE2 3.49Å; R823-W826 VanDerWaalsContact CD-CZ2 3.46Å; R823-W826 HydrophobicContact CG-CD2 4.07Å; R823-W826 HydrophobicContact CG-CE3 3.95Å; R823-W826 HydrophobicContact CG-CG 4.48Å; R823-W826 HydrophobicContact CG-CH2 4.34Å; R823-W826 HydrophobicContact CG-CZ2 4.4Å; R823-W826 HydrophobicContact CG-CZ3 4.23Å; R823-W826 VanDerWaalsContact NH1-CZ2 3.35Å; R823-W826 PolarHBondContact O-N 2.95Å; R823-I827 VanDerWaalsContact O-CG1 3.31Å; R823-I827 WeakPolarHBondContact O-CG1 3.21Å; R823-I827 PolarHBondContact O-N 2.96Å; R823-I827 VanDerWaalsContact O-N 3.14Å; R823-P872 HydrophobicContact CG-CG 4.26Å; R823-F874 VanDerWaalsContact NH2-CZ 3.33Å | ||
| 824 | I | 65.9 | Low | 73.3 | Confident | 49 Ų | 49 | 58.7 Ų | 58.7 | 25% | 0.251 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.2 | -38 | -179.5 | -104.1 | 177.4 | 0 | 0 | 0 | 111.6 | C822 W826 I827 R828 L873 T970 T973 | C822-I824 PolarHBondContact O-N 3.16Å; I824-W826 VanDerWaalsContact C-N 3.32Å; I824-W826 PolarHBondContact O-N 3.23Å; I824-I827 PolarHBondContact O-N 2.68Å; I824-R828 WeakPolarHBondContact O-CB 3.5Å; I824-R828 PolarHBondContact O-N 2.94Å; I824-R828 VanDerWaalsContact O-N 3.08Å; I824-L873 HydrophobicContact CD1-CD2 3.62Å; I824-L873 HydrophobicContact CD1-CG 4.49Å; I824-T970 HydrophobicContact CD1-CG2 4.42Å; I824-T973 HydrophobicContact CB-CG2 4.35Å; I824-T973 HydrophobicContact CD1-CG2 3.47Å; I824-T973 HydrophobicContact CG1-CG2 3.42Å; I824-T973 VanDerWaalsContact CG1-CG2 3.48Å; I824-T973 HydrophobicContact CG2-CG2 3.51Å; I824-T973 VanDerWaalsContact CG2-CG2 3.41Å |
| 825 | E | 66.5 | Low | 72.4 | Confident | 116.75 Ų | 116.75 | 59.1 Ų | 59.1 | 55% | 0.546 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 178.8 | -62.1 | 110 | -166.4 | 0 | 0 | 110.8 | R823 R828 M829 | R823-E825 VanDerWaalsContact C-N 3.28Å; R823-E825 PolarHBondContact O-N 3.13Å; R823-E825 VanDerWaalsContact O-N 3.15Å; E825-R828 PolarHBondContact O-N 3.38Å; E825-M829 WeakPolarHBondContact O-CB 3.42Å; E825-M829 WeakPolarHBondContact O-CG 3.42Å; E825-M829 PolarHBondContact O-N 3.16Å |
| 826 | W | 70.3 | Confident | 71.5 | Confident | 19.75 Ų | 19.75 | 58.9 Ų | 58.9 | 8% | 0.075 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -73.4 | -37 | -176.3 | -62.5 | 0.6 | 0 | 0 | 0 | 112.8 | I768 G790 S792 E821 R823 I824 R828 M829 A830 | I768-W826 HydrophobicContact CB-CD2 3.95Å; I768-W826 HydrophobicContact CB-CE3 4.16Å; I768-W826 HydrophobicContact CB-CG 4.45Å; I768-W826 HydrophobicContact CB-CH2 4.15Å; I768-W826 HydrophobicContact CB-CZ2 4.06Å; I768-W826 HydrophobicContact CB-CZ3 4.25Å; I768-W826 HydrophobicContact CD1-CB 4.02Å; I768-W826 HydrophobicContact CD1-CD2 4.25Å; I768-W826 HydrophobicContact CD1-CE3 4.18Å; I768-W826 HydrophobicContact CD1-CG 3.88Å; I768-W826 HydrophobicContact CG2-CD2 4.3Å; I768-W826 HydrophobicContact CG2-CG 4.39Å; I768-W826 WeakPolarHBondContact O-CH2 3.46Å; I768-W826 WeakPolarHBondContact O-CZ2 3.23Å; G790-W826 VanDerWaalsContact O-CH2 3.28Å; G790-W826 WeakPolarHBondContact O-CH2 3.36Å; G790-W826 VanDerWaalsContact O-CZ2 3.26Å; G790-W826 WeakPolarHBondContact O-CZ2 3.35Å; G790-W826 WeakPolarHBondContact O-CZ3 3.49Å; S792-W826 WeakPolarHBondContact OG-CZ3 3.26Å; E821-W826 HydrophobicContact CB-CH2 4.11Å; E821-W826 HydrophobicContact CB-CZ3 3.75Å; E821-W826 HydrophobicContact CG-CH2 4.39Å; E821-W826 HydrophobicContact CG-CZ3 4.39Å; E821-W826 VanDerWaalsContact O-CE3 3.24Å; E821-W826 VanDerWaalsContact O-CZ3 3.24Å; E821-W826 WeakPolarHBondContact O-CZ3 3.17Å; E821-W826 WeakPolarHBondContact OE2-CH2 3.47Å; R823-W826 HydrophobicContact CB-CB 4.18Å; R823-W826 HydrophobicContact CB-CD2 3.81Å; R823-W826 HydrophobicContact CB-CE3 4.12Å; R823-W826 HydrophobicContact CB-CG 3.77Å; R823-W826 VanDerWaalsContact CD-CE2 3.49Å; R823-W826 VanDerWaalsContact CD-CZ2 3.46Å; R823-W826 HydrophobicContact CG-CD2 4.07Å; R823-W826 HydrophobicContact CG-CE3 3.95Å; R823-W826 HydrophobicContact CG-CG 4.48Å; R823-W826 HydrophobicContact CG-CH2 4.34Å; R823-W826 HydrophobicContact CG-CZ2 4.4Å; R823-W826 HydrophobicContact CG-CZ3 4.23Å; R823-W826 VanDerWaalsContact NH1-CZ2 3.35Å; R823-W826 PolarHBondContact O-N 2.95Å; I824-W826 VanDerWaalsContact C-N 3.32Å; I824-W826 PolarHBondContact O-N 3.23Å; W826-R828 VanDerWaalsContact C-N 3.33Å; W826-R828 PolarHBondContact O-N 2.98Å; W826-R828 VanDerWaalsContact O-N 3.12Å; W826-M829 HydrophobicContact CB-CE 4.32Å; W826-M829 HydrophobicContact CG-CE 4.14Å; W826-M829 WeakPolarHBondContact O-CB 3.31Å; W826-M829 PolarHBondContact O-N 2.91Å; W826-A830 WeakPolarHBondContact O-CB 3.33Å; W826-A830 PolarHBondContact O-N 3.18Å |
| 827 | I | 65.9 | Low | 70.6 | Confident | 34 Ų | 34 | 53.5 Ų | 53.5 | 17% | 0.174 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.6 | -38.3 | 179.8 | -62.4 | 164.1 | 0 | 0 | 0 | 110.7 | C822 R823 I824 M829 A830 C831 F974 L977 | C822-I827 HydrophobicContact CB-CD1 4.33Å; C822-I827 WeakPolarHBondContact SG-CD1 3.19Å; R823-I827 VanDerWaalsContact O-CG1 3.31Å; R823-I827 WeakPolarHBondContact O-CG1 3.21Å; R823-I827 PolarHBondContact O-N 2.96Å; R823-I827 VanDerWaalsContact O-N 3.14Å; I824-I827 PolarHBondContact O-N 2.68Å; I827-M829 VanDerWaalsContact C-N 3.3Å; I827-M829 PolarHBondContact O-N 2.99Å; I827-A830 PolarHBondContact O-N 3.23Å; I827-C831 VanDerWaalsContact O-CB 3.31Å; I827-C831 WeakPolarHBondContact O-CB 3.23Å; I827-C831 PolarHBondContact O-N 3.06Å; I827-C831 PolarHBondContact O-SG 3.25Å; I827-F974 HydrophobicContact CD1-CE1 4.08Å; I827-F974 HydrophobicContact CD1-CE2 4.02Å; I827-F974 HydrophobicContact CD1-CZ 3.96Å; I827-L977 HydrophobicContact CB-CD1 3.91Å; I827-L977 HydrophobicContact CB-CD2 4.34Å; I827-L977 HydrophobicContact CG2-CB 4.26Å; I827-L977 HydrophobicContact CG2-CD1 3.55Å; I827-L977 VanDerWaalsContact CG2-CD1 3.41Å; I827-L977 HydrophobicContact CG2-CD2 3.43Å; I827-L977 HydrophobicContact CG2-CG 4.02Å |
| 828 | R | 65 | Low | 69.8 | Low | 136.25 Ų | 136.25 | 58.3 Ų | 58.3 | 51% | 0.514 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63 | -42.8 | 175.6 | -122.7 | -178.5 | -156.8 | 155.4 | -1.4 | 111.6 | I824 E825 W826 C831 R832 L977 | I824-R828 WeakPolarHBondContact O-CB 3.5Å; I824-R828 PolarHBondContact O-N 2.94Å; I824-R828 VanDerWaalsContact O-N 3.08Å; E825-R828 PolarHBondContact O-N 3.38Å; W826-R828 VanDerWaalsContact C-N 3.33Å; W826-R828 PolarHBondContact O-N 2.98Å; W826-R828 VanDerWaalsContact O-N 3.12Å; R828-C831 PolarHBondContact O-N 3.45Å; R828-R832 WeakPolarHBondContact O-CG 3.24Å; R828-R832 PolarHBondContact O-N 3.09Å; R828-R832 VanDerWaalsContact O-N 3.1Å; R828-L977 HydrophobicContact CG-CD1 4.07Å |
| 829 | M | 66.9 | Low | 68.9 | Low | 28 Ų | 28 | 63.6 Ų | 63.6 | 14% | 0.138 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.7 | -48.5 | 178.5 | -85.4 | -177.7 | 9.4 | 0 | 0 | 112 | L734 L738 I768 E825 W826 I827 C831 R832 L833 | L734-M829 HydrophobicContact CB-CE 4.14Å; L734-M829 HydrophobicContact CD1-CE 3.37Å; L734-M829 HydrophobicContact CD1-CG 3.96Å; L734-M829 HydrophobicContact CD1-SD 3.87Å; L734-M829 HydrophobicContact CD2-CE 3.5Å; L734-M829 HydrophobicContact CG-CE 3.73Å; L738-M829 HydrophobicContact CB-CE 4.35Å; L738-M829 HydrophobicContact CD1-CE 4.06Å; L738-M829 HydrophobicContact CD1-SD 3.85Å; L738-M829 WeakPolarHBondContact CD1-SD 3.45Å; I768-M829 HydrophobicContact CB-CE 4.07Å; I768-M829 HydrophobicContact CD1-CB 4.17Å; I768-M829 HydrophobicContact CD1-CE 3.68Å; I768-M829 HydrophobicContact CD1-SD 4.08Å; I768-M829 HydrophobicContact CG1-CE 3.73Å; I768-M829 HydrophobicContact CG2-CE 3.53Å; I768-M829 HydrophobicContact CG2-SD 3.75Å; E825-M829 WeakPolarHBondContact O-CB 3.42Å; E825-M829 WeakPolarHBondContact O-CG 3.42Å; E825-M829 PolarHBondContact O-N 3.16Å; W826-M829 HydrophobicContact CB-CE 4.32Å; W826-M829 HydrophobicContact CG-CE 4.14Å; W826-M829 WeakPolarHBondContact O-CB 3.31Å; W826-M829 PolarHBondContact O-N 2.91Å; I827-M829 VanDerWaalsContact C-N 3.3Å; I827-M829 PolarHBondContact O-N 2.99Å; M829-C831 VanDerWaalsContact C-N 3.29Å; M829-C831 PolarHBondContact O-N 3.27Å; M829-R832 WeakPolarHBondContact O-CA 3.35Å; M829-R832 WeakPolarHBondContact O-CB 3.41Å; M829-R832 PolarHBondContact O-N 3.17Å; M829-L833 PolarHBondContact O-N 3.13Å |
| 830 | A | 65.6 | Low | 68 | Low | 36.25 Ų | 36.25 | 63.9 Ų | 63.9 | 30% | 0.3 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -56.2 | -42.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | W826 I827 R832 L833 F834 | W826-A830 WeakPolarHBondContact O-CB 3.33Å; W826-A830 PolarHBondContact O-N 3.18Å; I827-A830 PolarHBondContact O-N 3.23Å; A830-R832 PolarHBondContact O-N 3.07Å; A830-L833 PolarHBondContact O-N 3.22Å; A830-F834 HydrophobicContact CB-CD2 4.4Å; A830-F834 HydrophobicContact CB-CE2 4.31Å; A830-F834 WeakPolarHBondContact O-CB 3.33Å; A830-F834 WeakPolarHBondContact O-CD2 3.32Å; A830-F834 WeakPolarHBondContact O-CG 3.29Å; A830-F834 PolarHBondContact O-N 3.05Å |
| 831 | C | 65.6 | Low | 66.9 | Low | 29 Ų | 29 | 66.1 Ų | 66.1 | 20% | 0.196 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.1 | -38.4 | 174.8 | -71.2 | 0 | 0 | 0 | 0 | 113.2 | I827 R828 M829 K835 L977 L981 | I827-C831 VanDerWaalsContact O-CB 3.31Å; I827-C831 WeakPolarHBondContact O-CB 3.23Å; I827-C831 PolarHBondContact O-N 3.06Å; I827-C831 PolarHBondContact O-SG 3.25Å; R828-C831 PolarHBondContact O-N 3.45Å; M829-C831 VanDerWaalsContact C-N 3.29Å; M829-C831 PolarHBondContact O-N 3.27Å; C831-K835 VanDerWaalsContact O-CB 3.25Å; C831-K835 WeakPolarHBondContact O-CB 3.43Å; C831-K835 VanDerWaalsContact O-CG 3.26Å; C831-K835 WeakPolarHBondContact O-CG 3.29Å; C831-K835 PolarHBondContact O-N 3.17Å; C831-K835 VanDerWaalsContact O-N 3.08Å; C831-L977 HydrophobicContact CB-CD1 4.28Å; C831-L977 VanDerWaalsContact SG-CD1 3.56Å; C831-L981 HydrophobicContact CB-CD2 4.24Å; C831-L981 VanDerWaalsContact SG-CD2 3.54Å |
| 832 | R | 66.2 | Low | 65.7 | Low | 152.5 Ų | 152.5 | 70.5 Ų | 70.5 | 58% | 0.575 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.9 | -45.9 | 174.2 | -74.9 | 178.8 | 179.7 | 171.2 | -2 | 110.6 | D736 R828 M829 A830 K835 A836 | D736-R832 IonicContact OD2-NH1 3.28Å; R828-R832 WeakPolarHBondContact O-CG 3.24Å; R828-R832 PolarHBondContact O-N 3.09Å; R828-R832 VanDerWaalsContact O-N 3.1Å; M829-R832 WeakPolarHBondContact O-CA 3.35Å; M829-R832 WeakPolarHBondContact O-CB 3.41Å; M829-R832 PolarHBondContact O-N 3.17Å; A830-R832 PolarHBondContact O-N 3.07Å; R832-K835 WeakPolarHBondContact O-CB 3.39Å; R832-K835 PolarHBondContact O-N 2.95Å; R832-A836 WeakPolarHBondContact O-CB 3.45Å; R832-A836 PolarHBondContact O-N 3.13Å |
| 833 | L | 66.2 | Low | 64.4 | Low | 19 Ų | 19 | 76 Ų | 76 | 10% | 0.099 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.6 | -51.1 | 177.7 | -158.2 | 108.8 | 0 | 0 | 0 | 111.4 | Y690 F693 L734 L740 M829 A830 K835 A836 I837 | Y690-L833 HydrophobicContact CE2-CD1 4.22Å; F693-L833 HydrophobicContact CE1-CD2 4.01Å; L734-L833 HydrophobicContact CD2-CD1 4.24Å; L740-L833 HydrophobicContact CD2-CD1 3.91Å; L740-L833 VanDerWaalsContact CD2-CD1 3.42Å; L740-L833 HydrophobicContact CD2-CD2 3.68Å; M829-L833 PolarHBondContact O-N 3.13Å; A830-L833 PolarHBondContact O-N 3.22Å; L833-K835 VanDerWaalsContact C-N 3.29Å; L833-K835 PolarHBondContact O-N 2.89Å; L833-A836 CarbonylContact O-C 3.51Å; L833-A836 WeakPolarHBondContact O-CA 3.24Å; L833-A836 WeakPolarHBondContact O-CB 3.39Å; L833-A836 PolarHBondContact O-N 3.15Å; L833-A836 VanDerWaalsContact O-N 3.15Å; L833-I837 HydrophobicContact CD1-CD1 4.29Å; L833-I837 HydrophobicContact CD1-CG1 4.43Å; L833-I837 HydrophobicContact CD2-CD1 3.96Å; L833-I837 HydrophobicContact CD2-CG1 4.29Å; L833-I837 HydrophobicContact CG-CD1 4.05Å; L833-I837 HydrophobicContact CG-CG1 4.42Å; L833-I837 VanDerWaalsContact O-CG1 3.31Å; L833-I837 WeakPolarHBondContact O-CG1 3.27Å; L833-I837 PolarHBondContact O-N 3.18Å |
| 834 | F | 65.5 | Low | 62.9 | Low | 143.75 Ų | 143.75 | 78.8 Ų | 78.8 | 63% | 0.63 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -59.4 | -38.3 | 175.8 | -88.4 | -67.3 | 0 | 0 | 0 | 112.5 | A830 A836 I837 Y838 | A830-F834 HydrophobicContact CB-CD2 4.4Å; A830-F834 HydrophobicContact CB-CE2 4.31Å; A830-F834 WeakPolarHBondContact O-CB 3.33Å; A830-F834 WeakPolarHBondContact O-CD2 3.32Å; A830-F834 WeakPolarHBondContact O-CG 3.29Å; A830-F834 PolarHBondContact O-N 3.05Å; F834-A836 VanDerWaalsContact C-N 3.34Å; F834-I837 HydrophobicContact CD1-CD1 4.46Å; F834-Y838 WeakPolarHBondContact O-CB 3.37Å; F834-Y838 PolarHBondContact O-N 3.17Å |
| 835 | K | 66.2 | Low | 61.7 | Low | 99 Ų | 99 | 82.8 Ų | 82.8 | 43% | 0.43 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.3 | -39.9 | 175.1 | -122.9 | 178.8 | -178.5 | -177.9 | 0 | 111.8 | C831 R832 L833 Y838 K839 L980 L981 | C831-K835 VanDerWaalsContact O-CB 3.25Å; C831-K835 WeakPolarHBondContact O-CB 3.43Å; C831-K835 VanDerWaalsContact O-CG 3.26Å; C831-K835 WeakPolarHBondContact O-CG 3.29Å; C831-K835 PolarHBondContact O-N 3.17Å; C831-K835 VanDerWaalsContact O-N 3.08Å; R832-K835 WeakPolarHBondContact O-CB 3.39Å; R832-K835 PolarHBondContact O-N 2.95Å; L833-K835 VanDerWaalsContact C-N 3.29Å; L833-K835 PolarHBondContact O-N 2.89Å; K835-Y838 PolarHBondContact O-N 2.97Å; K835-K839 WeakPolarHBondContact O-CB 3.34Å; K835-K839 VanDerWaalsContact O-CG 3.29Å; K835-K839 WeakPolarHBondContact O-CG 3.45Å; K835-K839 PolarHBondContact O-N 2.78Å; K835-L980 PolarHBondContact NZ-O 3.12Å; K835-L981 HydrophobicContact CD-CD2 4.45Å |
| 836 | A | 65.1 | Low | 60.3 | Low | 14 Ų | 14 | 85.8 Ų | 85.8 | 12% | 0.116 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -69.4 | -44.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y690 L694 R832 L833 F834 Y838 K839 A840 | Y690-A836 VanDerWaalsContact OH-CB 3.27Å; Y690-A836 WeakPolarHBondContact OH-CB 3.43Å; L694-A836 HydrophobicContact CD1-CB 3.73Å; L694-A836 HydrophobicContact CD2-CB 4.11Å; L694-A836 HydrophobicContact CG-CB 4.46Å; R832-A836 WeakPolarHBondContact O-CB 3.45Å; R832-A836 PolarHBondContact O-N 3.13Å; L833-A836 CarbonylContact O-C 3.51Å; L833-A836 WeakPolarHBondContact O-CA 3.24Å; L833-A836 WeakPolarHBondContact O-CB 3.39Å; L833-A836 PolarHBondContact O-N 3.15Å; L833-A836 VanDerWaalsContact O-N 3.15Å; F834-A836 VanDerWaalsContact C-N 3.34Å; A836-Y838 VanDerWaalsContact C-N 3.33Å; A836-Y838 PolarHBondContact O-N 3.03Å; A836-K839 PolarHBondContact O-N 3.12Å; A836-A840 VanDerWaalsContact O-CB 3.3Å; A836-A840 WeakPolarHBondContact O-CB 3.34Å; A836-A840 PolarHBondContact O-N 3.2Å |
| 837 | I | 64.2 | Low | 58.6 | Low | 46.25 Ų | 46.25 | 89.8 Ų | 89.8 | 24% | 0.237 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -58.2 | -48.5 | 172.1 | -65.4 | 168.1 | 0 | 0 | 0 | 110.5 | F693 L697 L833 F834 K839 A840 V841 | F693-I837 HydrophobicContact CE1-CG1 4.41Å; L697-I837 HydrophobicContact CD1-CG1 3.96Å; L697-I837 HydrophobicContact CD2-CG2 4.27Å; L833-I837 HydrophobicContact CD1-CD1 4.29Å; L833-I837 HydrophobicContact CD1-CG1 4.43Å; L833-I837 HydrophobicContact CD2-CD1 3.96Å; L833-I837 HydrophobicContact CD2-CG1 4.29Å; L833-I837 HydrophobicContact CG-CD1 4.05Å; L833-I837 HydrophobicContact CG-CG1 4.42Å; L833-I837 VanDerWaalsContact O-CG1 3.31Å; L833-I837 WeakPolarHBondContact O-CG1 3.27Å; L833-I837 PolarHBondContact O-N 3.18Å; F834-I837 HydrophobicContact CD1-CD1 4.46Å; I837-K839 VanDerWaalsContact C-N 3.33Å; I837-K839 PolarHBondContact O-N 2.92Å; I837-A840 WeakPolarHBondContact O-CB 3.4Å; I837-A840 PolarHBondContact O-N 3.11Å; I837-A840 VanDerWaalsContact O-N 3.15Å; I837-V841 HydrophobicContact CG2-CG2 4.33Å; I837-V841 VanDerWaalsContact O-CG2 3.29Å; I837-V841 WeakPolarHBondContact O-CG2 3.32Å; I837-V841 PolarHBondContact O-N 3.19Å |
| 838 | Y | 64.5 | Low | 57.2 | Low | 125.5 Ų | 125.5 | 92.6 Ų | 92.6 | 49% | 0.492 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61 | -44 | 179.6 | -174.1 | -89.7 | 0 | 0 | 0 | 111.6 | F834 K835 A836 A840 V841 E842 R984 | F834-Y838 WeakPolarHBondContact O-CB 3.37Å; F834-Y838 PolarHBondContact O-N 3.17Å; K835-Y838 PolarHBondContact O-N 2.97Å; A836-Y838 VanDerWaalsContact C-N 3.33Å; A836-Y838 PolarHBondContact O-N 3.03Å; Y838-A840 VanDerWaalsContact C-N 3.31Å; Y838-A840 PolarHBondContact O-N 3.31Å; Y838-V841 PolarHBondContact O-N 3.21Å; Y838-E842 HydrophobicContact CD1-CB 4.22Å; Y838-E842 HydrophobicContact CE1-CB 4.37Å; Y838-E842 VanDerWaalsContact CE1-CD 3.45Å; Y838-E842 HydrophobicContact CE1-CG 4.41Å; Y838-E842 WeakPolarHBondContact CE1-OE1 3.37Å; Y838-E842 WeakPolarHBondContact CE1-OE2 3.38Å; Y838-E842 VanDerWaalsContact CZ-OE1 3.25Å; Y838-E842 WeakPolarHBondContact O-CB 3.37Å; Y838-E842 PolarHBondContact O-N 2.95Å; Y838-E842 PolarHBondContact OH-OE1 3.32Å; Y838-R984 VanDerWaalsContact CG-NH2 3.29Å |
| 839 | K | 64.8 | Low | 55.5 | Low | 140 Ų | 140 | 92.9 Ų | 92.9 | 61% | 0.609 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.2 | -37.7 | 174.4 | -83.9 | -176.4 | 172.6 | -168.5 | 0 | 112.9 | K835 A836 I837 V841 E842 | K835-K839 WeakPolarHBondContact O-CB 3.34Å; K835-K839 VanDerWaalsContact O-CG 3.29Å; K835-K839 WeakPolarHBondContact O-CG 3.45Å; K835-K839 PolarHBondContact O-N 2.78Å; A836-K839 PolarHBondContact O-N 3.12Å; I837-K839 VanDerWaalsContact C-N 3.33Å; I837-K839 PolarHBondContact O-N 2.92Å; K839-V841 VanDerWaalsContact C-N 3.34Å; K839-E842 PolarHBondContact O-N 3.38Å |
| 840 | A | 61.7 | Low | 53.9 | Low | 16.75 Ų | 16.75 | 95.9 Ų | 95.9 | 14% | 0.138 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -68.8 | -34.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L697 T698 A836 I837 Y838 | L697-A840 HydrophobicContact CB-CB 4.1Å; T698-A840 HydrophobicContact CG2-CB 3.73Å; A836-A840 VanDerWaalsContact O-CB 3.3Å; A836-A840 WeakPolarHBondContact O-CB 3.34Å; A836-A840 PolarHBondContact O-N 3.2Å; I837-A840 WeakPolarHBondContact O-CB 3.4Å; I837-A840 PolarHBondContact O-N 3.11Å; I837-A840 VanDerWaalsContact O-N 3.15Å; Y838-A840 VanDerWaalsContact C-N 3.31Å; Y838-A840 PolarHBondContact O-N 3.31Å |
| 841 | V | 59.1 | Low | 52.5 | Low | 90 Ų | 90 | 99.4 Ų | 99.4 | 55% | 0.545 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -80.7 | -32.9 | 178.5 | 175.9 | 0 | 0 | 0 | 0 | 112.1 | A701 I837 Y838 K839 K843 | A701-V841 HydrophobicContact CB-CG2 4.06Å; I837-V841 HydrophobicContact CG2-CG2 4.33Å; I837-V841 VanDerWaalsContact O-CG2 3.29Å; I837-V841 WeakPolarHBondContact O-CG2 3.32Å; I837-V841 PolarHBondContact O-N 3.19Å; Y838-V841 PolarHBondContact O-N 3.21Å; K839-V841 VanDerWaalsContact C-N 3.34Å; V841-K843 VanDerWaalsContact C-N 3.32Å; V841-K843 PolarHBondContact O-N 3.11Å; V841-K843 VanDerWaalsContact O-N 3.14Å |
| 842 | E | 53.7 | Low | 51.2 | Low | 102.25 Ų | 102.25 | 104.2 Ų | 104.2 | 48% | 0.478 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -81.6 | 84 | -179.2 | -161.3 | 178.5 | -138.7 | 0 | 0 | 110.9 | Y838 K839 R984 | Y838-E842 HydrophobicContact CD1-CB 4.22Å; Y838-E842 HydrophobicContact CE1-CB 4.37Å; Y838-E842 VanDerWaalsContact CE1-CD 3.45Å; Y838-E842 HydrophobicContact CE1-CG 4.41Å; Y838-E842 WeakPolarHBondContact CE1-OE1 3.37Å; Y838-E842 WeakPolarHBondContact CE1-OE2 3.38Å; Y838-E842 VanDerWaalsContact CZ-OE1 3.25Å; Y838-E842 WeakPolarHBondContact O-CB 3.37Å; Y838-E842 PolarHBondContact O-N 2.95Å; Y838-E842 PolarHBondContact OH-OE1 3.32Å; K839-E842 PolarHBondContact O-N 3.38Å; E842-R984 IonicContact OE2-CZ 2.61Å; E842-R984 IonicContact OE2-NH2 3.8Å; E842-R984 PolarHBondContact OE2-NH2 3.26Å |
| 843 | K | 49.3 | Very low | 49.9 | Very low | 147 Ų | 147 | 102.9 Ų | 102.9 | 64% | 0.639 | 58% | 0.581 | S | S | * | * | trans | -72.4 | 137 | 166.3 | -87.1 | -177.9 | 176 | 176.9 | 0 | 109.4 | V841 T845 | V841-K843 VanDerWaalsContact C-N 3.32Å; V841-K843 PolarHBondContact O-N 3.11Å; V841-K843 VanDerWaalsContact O-N 3.14Å; K843-T845 VanDerWaalsContact C-N 3.27Å; K843-T845 PolarHBondContact O-N 3.08Å; K843-T845 VanDerWaalsContact O-N 3.14Å | ||
| 844 | P | 43.2 | Very low | 48.8 | Very low | 110.5 Ų | 110.5 | 113.5 Ų | 113.5 | 72% | 0.718 | 62% | 0.62 | S | S | * | * | trans | -67.5 | 107.6 | 170.8 | 28.4 | -30.3 | 0 | 0 | 0 | 107.9 | E846 | P844-E846 HydrophobicContact CB-CG 4.41Å; P844-E846 PolarHBondContact O-N 3.07Å | ||
| 845 | T | 41 | Very low | 47.9 | Very low | 131.25 Ų | 131.25 | 111.1 Ų | 111.1 | 81% | 0.805 | 63% | 0.626 | S | S | * | * | trans | -72.6 | 82.9 | 164.7 | 37.6 | 0 | 0 | 0 | 0 | 107.5 | K843 S847 | K843-T845 VanDerWaalsContact C-N 3.27Å; K843-T845 PolarHBondContact O-N 3.08Å; K843-T845 VanDerWaalsContact O-N 3.14Å; T845-S847 PolarHBondContact O-N 3.04Å | ||
| 846 | E | 36.6 | Very low | 47.2 | Very low | 180 Ų | 180 | 112.4 Ų | 112.4 | 84% | 0.841 | 63% | 0.632 | S | S | * | * | trans | -71.4 | 91.8 | 160.6 | -73.8 | -178.5 | 173.5 | 0 | 0 | 108.2 | P844 A848 | P844-E846 HydrophobicContact CB-CG 4.41Å; P844-E846 PolarHBondContact O-N 3.07Å; E846-A848 VanDerWaalsContact C-N 3.26Å; E846-A848 PolarHBondContact O-N 2.9Å | ||
| 847 | S | 34.9 | Very low | 47.1 | Very low | 105.25 Ų | 105.25 | 117.7 Ų | 117.7 | 74% | 0.736 | 65% | 0.652 | S | S | * | * | trans | -141.5 | 106.3 | 167 | 60.9 | 0 | 0 | 0 | 0 | 111 | T845 | T845-S847 PolarHBondContact O-N 3.04Š| ||
| 848 | A | 35.8 | Very low | 47.5 | Very low | 92.25 Ų | 92.25 | 121.2 Ų | 121.2 | 76% | 0.762 | 66% | 0.663 | S | S | * | * | trans | 45.7 | 119.6 | 159.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | E846 S850 | E846-A848 VanDerWaalsContact C-N 3.26Å; E846-A848 PolarHBondContact O-N 2.9Å; A848-S850 PolarHBondContact O-N 3.19Å; A848-S850 VanDerWaalsContact O-N 3.09Å | ||
| 849 | C | 29.6 | Very low | 48.2 | Very low | 142.25 Ų | 142.25 | 116.1 Ų | 116.1 | 96% | 0.961 | 65% | 0.647 | S | S | * | * | trans | -41.4 | 98.6 | 165.1 | -96.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 850 | S | 32.2 | Very low | 49.1 | Very low | 91 Ų | 91 | 113.2 Ų | 113.2 | 64% | 0.636 | 64% | 0.635 | S | S | * | * | trans | -111.8 | 137.8 | 155.3 | 59.7 | 0 | 0 | 0 | 0 | 108.1 | A848 | A848-S850 PolarHBondContact O-N 3.19Å; A848-S850 VanDerWaalsContact O-N 3.09Å | ||
| 851 | P | 37.3 | Very low | 50.3 | Low | 109.25 Ų | 109.25 | 116.1 Ų | 116.1 | 71% | 0.709 | 64% | 0.644 | S | S | * | * | trans | -59.8 | 153.1 | -179 | 17.5 | -19.9 | 0 | 0 | 0 | 109.9 | T853 | P851-T853 PolarHBondContact O-N 3.24Š| ||
| 852 | P | 39.1 | Very low | 51.6 | Low | 130.75 Ų | 130.75 | 114.1 Ų | 114.1 | 85% | 0.849 | 63% | 0.63 | S | S | * | * | trans | -59.8 | 101.9 | -176.6 | 25.6 | -33 | 0 | 0 | 0 | 109.1 | R854 | P852-R854 PolarHBondContact O-N 2.83Å; P852-R854 VanDerWaalsContact O-N 3.16Å | ||
| 853 | T | 37.8 | Very low | 53.2 | Low | 125.25 Ų | 125.25 | 111.2 Ų | 111.2 | 77% | 0.768 | 62% | 0.618 | S | S | * | * | trans | -53.4 | 122.4 | 170.5 | 36.4 | 0 | 0 | 0 | 0 | 107.5 | P851 A855 | P851-T853 PolarHBondContact O-N 3.24Å; T853-A855 PolarHBondContact O-N 3.16Å | ||
| 854 | R | 42.6 | Very low | 55 | Low | 241.5 Ų | 241.5 | 104.3 Ų | 104.3 | 91% | 0.911 | 59% | 0.588 | S | S | * | * | trans | -28.8 | 116.8 | 177.3 | -81.2 | 178.3 | 171 | 173.8 | -2.7 | 110.5 | P852 K856 | P852-R854 PolarHBondContact O-N 2.83Å; P852-R854 VanDerWaalsContact O-N 3.16Å; R854-K856 PolarHBondContact O-N 3.05Å | ||
| 855 | A | 46.8 | Very low | 57 | Low | 92.25 Ų | 92.25 | 102.7 Ų | 102.7 | 76% | 0.762 | 57% | 0.574 | S | S | * | * | trans | -48.9 | 113.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | T853 K857 | T853-A855 PolarHBondContact O-N 3.16Å; A855-K857 PolarHBondContact O-N 3.01Å; A855-K857 VanDerWaalsContact O-N 3.14Å | ||
| 856 | K | 50.8 | Low | 59.2 | Low | 127.75 Ų | 127.75 | 98.2 Ų | 98.2 | 56% | 0.555 | 54% | 0.543 | S | S | * | . | trans | -55.1 | 123.1 | 177.5 | -73.2 | 178 | 179.6 | 174 | 0 | 107.7 | T708 R854 Y858 | T708-K856 VanDerWaalsContact CB-NZ 3.34Å; T708-K856 PolarHBondContact OG1-NZ 2.83Å; T708-K856 VanDerWaalsContact OG1-NZ 3.13Å; R854-K856 PolarHBondContact O-N 3.05Å; K856-Y858 HydrophobicContact CB-CD2 4.38Å; K856-Y858 HydrophobicContact CB-CE1 4.45Å; K856-Y858 HydrophobicContact CB-CE2 3.64Å; K856-Y858 WeakPolarHBondContact CD-OH 3.48Å; K856-Y858 WeakPolarHBondContact O-CD2 3.36Å; K856-Y858 VanDerWaalsContact O-CE2 3.29Å; K856-Y858 WeakPolarHBondContact O-CE2 3.44Å; K856-Y858 PolarHBondContact O-N 3.1Å | ||
| 857 | K | 64.3 | Low | 61.6 | Low | 124.25 Ų | 124.25 | 90.9 Ų | 90.9 | 54% | 0.54 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 117.6 | 177.8 | -73.2 | -177.1 | 179.6 | -173.5 | 0 | 107.8 | C808 T809 A855 P893 | C808-K857 VanDerWaalsContact CA-O 3.28Å; C808-K857 WeakPolarHBondContact CA-O 3.32Å; C808-K857 VanDerWaalsContact SG-CB 3.54Å; C808-K857 WeakPolarHBondContact SG-CB 3.33Å; T809-K857 PolarHBondContact N-O 3.13Å; T809-K857 VanDerWaalsContact N-O 3.14Å; T809-K857 PolarHBondContact OG1-O 3.4Å; A855-K857 PolarHBondContact O-N 3.01Å; A855-K857 VanDerWaalsContact O-N 3.14Å; K857-P893 HydrophobicContact CB-CG 4.27Å; K857-P893 HydrophobicContact CD-CG 4.39Å; K857-P893 HydrophobicContact CG-CG 4.21Å |
| 858 | Y | 72.2 | Confident | 64.1 | Low | 119.25 Ų | 119.25 | 85.9 Ų | 85.9 | 47% | 0.468 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 137.1 | 175.7 | -61.7 | -87.6 | 0 | 0 | 0 | 109.1 | T809 K856 F860 Y891 | T809-Y858 HydrophobicContact CG2-CD1 4.45Å; T809-Y858 HydrophobicContact CG2-CE1 4.39Å; T809-Y858 WeakPolarHBondContact O-CA 3.13Å; T809-Y858 WeakPolarHBondContact OG1-CD1 3.47Å; T809-Y858 WeakPolarHBondContact OG1-CE1 3.24Å; K856-Y858 HydrophobicContact CB-CD2 4.38Å; K856-Y858 HydrophobicContact CB-CE1 4.45Å; K856-Y858 HydrophobicContact CB-CE2 3.64Å; K856-Y858 WeakPolarHBondContact CD-OH 3.48Å; K856-Y858 WeakPolarHBondContact O-CD2 3.36Å; K856-Y858 VanDerWaalsContact O-CE2 3.29Å; K856-Y858 WeakPolarHBondContact O-CE2 3.44Å; K856-Y858 PolarHBondContact O-N 3.1Å; Y858-F860 HydrophobicContact CD1-CZ 4.12Å; Y858-F860 HydrophobicContact CG-CE2 4.24Å; Y858-F860 HydrophobicContact CG-CZ 4.17Å; Y858-Y891 WeakPolarHBondContact O-CE1 3.36Å |
| 859 | A | 78.9 | Confident | 66.5 | Low | 19 Ų | 19 | 83.5 Ų | 83.5 | 16% | 0.157 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 136 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | T809 F810 V811 Y891 | T809-A859 PolarHBondContact O-N 3.2Å; F810-A859 CarbonylContact C-O 3.49Å; F810-A859 VanDerWaalsContact CA-O 3.3Å; F810-A859 WeakPolarHBondContact CA-O 3.35Å; F810-A859 HydrophobicContact CD2-CB 3.84Å; F810-A859 HydrophobicContact CE2-CB 4.13Å; V811-A859 PolarHBondContact N-O 3.07Å; A859-Y891 CarbonylContact C-O 3.55Å; A859-Y891 VanDerWaalsContact CA-O 3.28Å; A859-Y891 WeakPolarHBondContact CA-O 3.34Å; A859-Y891 WeakPolarHBondContact CB-O 3.3Å |
| 860 | F | 84 | Confident | 69.2 | Low | 78.5 Ų | 78.5 | 76.7 Ų | 76.7 | 34% | 0.344 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 140 | -176.9 | 138 | -99.8 | 0 | 0 | 0 | 110.4 | V811 A813 Y858 L862 T889 A890 Y891 | V811-F860 HydrophobicContact CB-CB 4.16Å; V811-F860 HydrophobicContact CB-CD1 3.54Å; V811-F860 HydrophobicContact CB-CD2 3.82Å; V811-F860 HydrophobicContact CB-CE1 3.95Å; V811-F860 HydrophobicContact CB-CG 4.4Å; V811-F860 HydrophobicContact CG1-CD1 4.11Å; V811-F860 HydrophobicContact CG1-CD2 3.72Å; V811-F860 HydrophobicContact CG1-CE1 4.44Å; V811-F860 HydrophobicContact CG1-CE2 4.07Å; V811-F860 HydrophobicContact CG2-CD1 3.6Å; V811-F860 HydrophobicContact CG2-CE1 3.48Å; V811-F860 VanDerWaalsContact CG2-CE1 3.48Å; V811-F860 HydrophobicContact CG2-CZ 4.34Å; V811-F860 CarbonylContact O-C 3.46Å; V811-F860 VanDerWaalsContact O-CA 3.25Å; V811-F860 WeakPolarHBondContact O-CA 3.42Å; V811-F860 VanDerWaalsContact O-CD2 3.26Å; V811-F860 WeakPolarHBondContact O-CD2 3.4Å; A813-F860 HydrophobicContact CB-CE2 3.9Å; A813-F860 HydrophobicContact CB-CZ 4.38Å; Y858-F860 HydrophobicContact CD1-CZ 4.12Å; Y858-F860 HydrophobicContact CG-CE2 4.24Å; Y858-F860 HydrophobicContact CG-CZ 4.17Å; F860-L862 HydrophobicContact CD1-CB 4.49Å; F860-L862 HydrophobicContact CD2-CB 4.15Å; F860-L862 HydrophobicContact CE1-CB 3.53Å; F860-L862 HydrophobicContact CE1-CD2 4.29Å; F860-L862 HydrophobicContact CE1-CG 4.39Å; F860-L862 HydrophobicContact CE2-CB 3.93Å; F860-L862 VanDerWaalsContact CE2-CB 3.49Å; F860-L862 HydrophobicContact CE2-CD1 4.09Å; F860-L862 HydrophobicContact CE2-CG 4.33Å; F860-L862 HydrophobicContact CZ-CB 3.5Å; F860-L862 VanDerWaalsContact CZ-CB 3.46Å; F860-L862 HydrophobicContact CZ-CD1 3.9Å; F860-L862 HydrophobicContact CZ-CD2 4.14Å; F860-L862 HydrophobicContact CZ-CG 4.23Å; F860-T889 HydrophobicContact CE1-CG2 4.31Å; F860-T889 HydrophobicContact CE2-CG2 4.11Å; F860-T889 HydrophobicContact CZ-CG2 4.03Å; F860-A890 CarbonylContact O-C 3.55Å; F860-A890 WeakPolarHBondContact O-CA 3.38Å; F860-Y891 HydrophobicContact CD1-CD1 4.01Å; F860-Y891 AromaticContact CD1-CG 3.95Å; F860-Y891 HydrophobicContact CD1-CG 3.95Å; F860-Y891 AromaticContact CD2-CD1 3.72Å; F860-Y891 HydrophobicContact CD2-CD1 3.72Å; F860-Y891 HydrophobicContact CD2-CE1 4.41Å; F860-Y891 HydrophobicContact CD2-CG 4.4Å; F860-Y891 HydrophobicContact CE1-CD1 4.31Å; F860-Y891 AromaticContact CE1-CG 3.84Å; F860-Y891 HydrophobicContact CE1-CG 3.84Å; F860-Y891 HydrophobicContact CE2-CD1 4.35Å; F860-Y891 PolarHBondContact N-O 3.07Å; F860-Y891 PolarHBondContact O-N 3.04Å |
| 861 | K | 86.3 | Confident | 71.6 | Confident | 79.5 Ų | 79.5 | 73.3 Ų | 73.3 | 35% | 0.346 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 117.1 | 172.3 | -175.9 | 176.3 | -178.5 | 177.3 | 0 | 109 | F810 V811 Q812 A813 T889 A890 | F810-K861 HydrophobicContact CE2-CB 4.44Å; F810-K861 HydrophobicContact CZ-CB 4.14Å; V811-K861 PolarHBondContact O-N 2.97Å; Q812-K861 CarbonylContact C-O 3.56Å; Q812-K861 VanDerWaalsContact CA-O 3.28Å; Q812-K861 WeakPolarHBondContact CA-O 3.44Å; Q812-K861 HydrophobicContact CG-CB 4.23Å; A813-K861 PolarHBondContact N-O 3.06Å; K861-T889 CarbonylContact C-O 3.57Å; K861-T889 VanDerWaalsContact CA-O 3.27Å; K861-T889 WeakPolarHBondContact CA-O 3.36Å; K861-A890 HydrophobicContact CG-CB 4.44Å |
| 862 | L | 86.7 | Confident | 73.6 | Confident | 47 Ų | 47 | 68.6 Ų | 68.6 | 25% | 0.246 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 125.9 | 176.9 | -177.7 | 72.1 | 0 | 0 | 0 | 109 | A813 L815 F860 V864 S888 T889 | A813-L862 HydrophobicContact CB-CD1 3.56Å; A813-L862 VanDerWaalsContact CB-CD1 3.49Å; A813-L862 CarbonylContact O-C 3.52Å; A813-L862 WeakPolarHBondContact O-CA 3.32Å; L815-L862 HydrophobicContact CD1-CD1 3.42Å; L815-L862 VanDerWaalsContact CD1-CD1 3.49Å; L815-L862 HydrophobicContact CD1-CG 4.22Å; F860-L862 HydrophobicContact CD1-CB 4.49Å; F860-L862 HydrophobicContact CD2-CB 4.15Å; F860-L862 HydrophobicContact CE1-CB 3.53Å; F860-L862 HydrophobicContact CE1-CD2 4.29Å; F860-L862 HydrophobicContact CE1-CG 4.39Å; F860-L862 HydrophobicContact CE2-CB 3.93Å; F860-L862 VanDerWaalsContact CE2-CB 3.49Å; F860-L862 HydrophobicContact CE2-CD1 4.09Å; F860-L862 HydrophobicContact CE2-CG 4.33Å; F860-L862 HydrophobicContact CZ-CB 3.5Å; F860-L862 VanDerWaalsContact CZ-CB 3.46Å; F860-L862 HydrophobicContact CZ-CD1 3.9Å; F860-L862 HydrophobicContact CZ-CD2 4.14Å; F860-L862 HydrophobicContact CZ-CG 4.23Å; L862-V864 HydrophobicContact CD1-CG2 4.22Å; L862-V864 HydrophobicContact CD2-CG2 3.99Å; L862-V864 HydrophobicContact CG-CG2 3.85Å; L862-S888 CarbonylContact O-C 3.47Å; L862-S888 VanDerWaalsContact O-CA 3.28Å; L862-S888 WeakPolarHBondContact O-CA 3.39Å; L862-T889 HydrophobicContact CB-CG2 4.29Å; L862-T889 WeakPolarHBondContact CB-OG1 2.87Å; L862-T889 HydrophobicContact CD2-CG2 4.32Å; L862-T889 PolarHBondContact N-O 3.12Å; L862-T889 PolarHBondContact O-N 2.99Å |
| 863 | N | 88.4 | Confident | 75.4 | Confident | 40.5 Ų | 40.5 | 63.5 Ų | 63.5 | 22% | 0.217 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 131.5 | 168 | -72.5 | -3.6 | 0 | 0 | 0 | 108.4 | A813 Y814 L815 S887 S888 | A813-N863 PolarHBondContact O-N 3.16Å; Y814-N863 CarbonylContact C-O 3.53Å; Y814-N863 VanDerWaalsContact CA-O 3.29Å; Y814-N863 WeakPolarHBondContact CA-O 3.39Å; Y814-N863 HydrophobicContact CD1-CB 3.77Å; Y814-N863 HydrophobicContact CD2-CB 3.94Å; Y814-N863 HydrophobicContact CE1-CB 4.02Å; Y814-N863 VanDerWaalsContact CE1-ND2 3.32Å; Y814-N863 WeakPolarHBondContact CE1-ND2 3.4Å; Y814-N863 HydrophobicContact CG-CB 4.5Å; L815-N863 PolarHBondContact N-O 3.15Å; N863-S887 CarbonylContact C-O 3.5Å; N863-S887 WeakPolarHBondContact CA-O 3.35Å; N863-S888 VanDerWaalsContact OD1-CB 3.29Å; N863-S888 WeakPolarHBondContact OD1-CB 3.36Å; N863-S888 PolarHBondContact OD1-OG 2.91Å |
| 864 | V | 86.6 | Confident | 77.2 | Confident | 3.75 Ų | 3.75 | 60.9 Ų | 60.9 | 2% | 0.023 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 120.1 | 175.8 | -168.3 | 0 | 0 | 0 | 0 | 109.8 | L815 L818 L862 I867 S886 S887 | L815-V864 HydrophobicContact CB-CB 4.26Å; L815-V864 HydrophobicContact CB-CG1 3.83Å; L815-V864 HydrophobicContact CB-CG2 4.03Å; L815-V864 HydrophobicContact CD1-CG2 3.97Å; L815-V864 HydrophobicContact CD2-CG1 4.03Å; L815-V864 HydrophobicContact CD2-CG2 4.26Å; L815-V864 HydrophobicContact CG-CG1 4.42Å; L815-V864 CarbonylContact O-C 3.51Å; L815-V864 VanDerWaalsContact O-CA 3.22Å; L815-V864 WeakPolarHBondContact O-CA 3.44Å; L818-V864 HydrophobicContact CB-CG1 4.48Å; L862-V864 HydrophobicContact CD1-CG2 4.22Å; L862-V864 HydrophobicContact CD2-CG2 3.99Å; L862-V864 HydrophobicContact CG-CG2 3.85Å; V864-I867 HydrophobicContact CB-CD1 4.03Å; V864-I867 HydrophobicContact CB-CG1 4.01Å; V864-I867 HydrophobicContact CG1-CD1 3.96Å; V864-I867 HydrophobicContact CG1-CG1 3.41Å; V864-I867 VanDerWaalsContact CG1-CG1 3.42Å; V864-I867 HydrophobicContact CG2-CD1 4.21Å; V864-I867 HydrophobicContact CG2-CG1 4.47Å; V864-S886 CarbonylContact O-C 3.55Å; V864-S886 WeakPolarHBondContact O-CA 3.16Å; V864-S887 WeakPolarHBondContact CB-OG 3.27Å; V864-S887 PolarHBondContact N-O 3.08Å; V864-S887 PolarHBondContact O-N 3.33Å; V864-S887 PolarHBondContact O-OG 2.94Å |
| 865 | D | 86.1 | Confident | 78.7 | Confident | 76.75 Ų | 76.75 | 57.2 Ų | 57.2 | 41% | 0.41 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | -36 | -177.8 | -57.2 | -26.4 | 0 | 0 | 0 | 112.1 | Y814 L815 R816 T885 S886 | Y814-D865 WeakPolarHBondContact CE2-OD1 3.39Å; Y814-D865 PolarHBondContact OH-OD1 3.16Å; Y814-D865 PolarHBondContact OH-OD2 3.11Å; L815-D865 PolarHBondContact O-N 2.93Å; R816-D865 CarbonylContact O-C 3.46Å; R816-D865 VanDerWaalsContact O-CB 3.29Å; R816-D865 WeakPolarHBondContact O-CB 3.36Å; R816-D865 PolarHBondContact O-N 2.8Å; D865-T885 CarbonylContact O-C 3.5Å; D865-T885 VanDerWaalsContact O-CA 3.31Å; D865-T885 WeakPolarHBondContact O-CA 3.19Å; D865-S886 PolarHBondContact O-N 3.11Å |
| 866 | E | 86.4 | Confident | 79.9 | Confident | 35.25 Ų | 35.25 | 54.8 Ų | 54.8 | 17% | 0.165 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 128.6 | 179.1 | -170.3 | 172 | -168.3 | 0 | 0 | 112.3 | R816 R817 L818 R883 F884 T885 | R816-E866 PolarHBondContact O-N 3.08Å; R817-E866 CarbonylContact C-O 3.54Å; R817-E866 VanDerWaalsContact CA-O 3.31Å; R817-E866 WeakPolarHBondContact CA-O 3.34Å; R817-E866 HydrophobicContact CB-CB 4.44Å; R817-E866 HydrophobicContact CG-CB 4.29Å; R817-E866 HydrophobicContact CG-CG 4.46Å; R817-E866 IonicContact NE-OE2 3.65Å; L818-E866 PolarHBondContact N-O 3.07Å; E866-R883 IonicContact OE1-CZ 3.58Å; E866-R883 IonicContact OE1-NE 3.8Å; E866-R883 PolarHBondContact OE1-NE 3.06Å; E866-R883 IonicContact OE1-NH2 3.13Å; E866-R883 PolarHBondContact OE1-NH2 3.22Å; E866-R883 IonicContact OE2-NH2 3.35Å; E866-F884 CarbonylContact C-O 3.57Å; E866-F884 WeakPolarHBondContact CA-O 3.16Å; E866-T885 HydrophobicContact CG-CG2 4.46Å |
| 867 | I | 87.4 | Confident | 81.2 | Confident | 27.25 Ų | 27.25 | 52.7 Ų | 52.7 | 14% | 0.14 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 121.4 | 172 | -56 | 173.1 | 0 | 0 | 0 | 108.4 | L818 V864 I869 R883 F884 | L818-I867 HydrophobicContact CB-CG1 4.33Å; L818-I867 HydrophobicContact CD2-CD1 4.49Å; L818-I867 HydrophobicContact CD2-CG1 4.3Å; L818-I867 HydrophobicContact CD2-CG2 4.12Å; L818-I867 HydrophobicContact CG-CG2 4.42Å; L818-I867 CarbonylContact O-C 3.54Å; L818-I867 WeakPolarHBondContact O-CA 3.38Å; V864-I867 HydrophobicContact CB-CD1 4.03Å; V864-I867 HydrophobicContact CB-CG1 4.01Å; V864-I867 HydrophobicContact CG1-CD1 3.96Å; V864-I867 HydrophobicContact CG1-CG1 3.41Å; V864-I867 VanDerWaalsContact CG1-CG1 3.42Å; V864-I867 HydrophobicContact CG2-CD1 4.21Å; V864-I867 HydrophobicContact CG2-CG1 4.47Å; I867-I869 HydrophobicContact CG2-CD1 4.38Å; I867-I869 HydrophobicContact CG2-CG1 3.98Å; I867-R883 CarbonylContact O-C 3.53Å; I867-R883 VanDerWaalsContact O-CA 3.28Å; I867-R883 WeakPolarHBondContact O-CA 3.41Å; I867-F884 HydrophobicContact CB-CB 4.21Å; I867-F884 HydrophobicContact CB-CD2 4.1Å; I867-F884 HydrophobicContact CG2-CD2 4.15Å; I867-F884 PolarHBondContact N-O 3Å; I867-F884 PolarHBondContact O-N 3.18Å |
| 868 | S | 86.5 | Confident | 81.9 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 119.6 | 174.4 | -58.8 | 0 | 0 | 0 | 0 | 109.3 | L818 D819 L820 F882 | L818-S868 PolarHBondContact O-N 3.23Å; D819-S868 CarbonylContact C-O 3.5Å; D819-S868 WeakPolarHBondContact CA-O 3.34Å; D819-S868 VanDerWaalsContact OD1-CB 3.24Å; D819-S868 WeakPolarHBondContact OD1-CB 3.37Å; D819-S868 PolarHBondContact OD1-OG 3.05Å; D819-S868 VanDerWaalsContact OD1-OG 3.13Å; L820-S868 PolarHBondContact N-O 3.06Å; S868-F882 CarbonylContact C-O 3.52Å; S868-F882 WeakPolarHBondContact CA-O 3.35Å |
| 869 | I | 86.9 | Confident | 82.3 | Confident | 42.25 Ų | 42.25 | 41.4 Ų | 41.4 | 22% | 0.217 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 108.2 | 177.3 | -49.8 | 179.3 | 0 | 0 | 0 | 108.4 | L820 C822 I867 I871 L881 F882 F884 | L820-I869 HydrophobicContact CB-CG1 4.42Å; L820-I869 HydrophobicContact CB-CG2 4.46Å; L820-I869 HydrophobicContact CD1-CG1 4.33Å; L820-I869 CarbonylContact O-C 3.54Å; L820-I869 WeakPolarHBondContact O-CA 3.4Å; C822-I869 HydrophobicContact CB-CG2 4.43Å; I867-I869 HydrophobicContact CG2-CD1 4.38Å; I867-I869 HydrophobicContact CG2-CG1 3.98Å; I869-I871 HydrophobicContact CG2-CG1 4.25Å; I869-L881 WeakPolarHBondContact O-CA 3.34Å; I869-F882 HydrophobicContact CB-CB 4.25Å; I869-F882 PolarHBondContact N-O 3.23Å; I869-F882 PolarHBondContact O-N 2.95Å; I869-F884 HydrophobicContact CD1-CE2 4.08Å; I869-F884 HydrophobicContact CG1-CE2 4.47Å |
| 870 | F | 84.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 126.3 | 175.1 | -60.3 | -90.8 | 0 | 0 | 0 | 109.5 | H787 W789 D819 L820 E821 C822 P872 L881 F908 L917 M919 | H787-F870 HydrophobicContact CB-CE2 4.25Å; H787-F870 HydrophobicContact CB-CZ 4Å; H787-F870 AromaticContact CE1-CD2 3.76Å; H787-F870 AromaticContact CE1-CE2 3.98Å; H787-F870 AromaticContact CG-CE2 3.76Å; H787-F870 AromaticContact CG-CZ 3.89Å; H787-F870 AromaticContact ND1-CD2 3.91Å; H787-F870 AromaticContact ND1-CE2 3.69Å; H787-F870 AromaticContact NE2-CD2 3.86Å; H787-F870 AromaticContact NE2-CG 3.92Å; W789-F870 HydrophobicContact CH2-CB 4.45Å; W789-F870 HydrophobicContact CH2-CD1 4.23Å; W789-F870 HydrophobicContact CZ3-CB 4.26Å; D819-F870 HydrophobicContact CB-CE2 4.41Å; L820-F870 PolarHBondContact O-N 3.03Å; E821-F870 CarbonylContact C-O 3.54Å; E821-F870 WeakPolarHBondContact CA-O 3.34Å; E821-F870 HydrophobicContact CG-CB 4.48Å; C822-F870 PolarHBondContact N-O 3.29Å; F870-P872 WeakPolarHBondContact O-CD 3.23Å; F870-L881 HydrophobicContact CD1-CB 4.41Å; F870-L881 HydrophobicContact CD1-CD1 3.86Å; F870-L881 HydrophobicContact CD2-CD1 4.32Å; F870-L881 HydrophobicContact CE1-CD1 3.67Å; F870-L881 HydrophobicContact CE1-CD2 3.98Å; F870-L881 HydrophobicContact CE1-CG 4.29Å; F870-L881 HydrophobicContact CE2-CD1 4.14Å; F870-L881 HydrophobicContact CG-CD1 4.18Å; F870-L881 HydrophobicContact CZ-CD1 3.81Å; F870-L881 HydrophobicContact CZ-CD2 4.4Å; F870-F908 HydrophobicContact CD1-CZ 4.43Å; F870-L917 HydrophobicContact CE1-CD2 4Å; F870-M919 HydrophobicContact CE1-CE 4.44Å; F870-M919 HydrophobicContact CZ-CE 4.09Å; F870-M919 HydrophobicContact CZ-SD 4.16Å |
| 871 | I | 83 | Confident | 82.6 | Confident | 19.25 Ų | 19.25 | 36.8 Ų | 36.8 | 10% | 0.099 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 86.2 | 174.1 | -45 | -176.8 | 0 | 0 | 0 | 108.1 | C822 I869 C880 F882 T970 | C822-I871 HydrophobicContact CB-CG1 4.15Å; I869-I871 HydrophobicContact CG2-CG1 4.25Å; I871-C880 HydrophobicContact CB-CB 4.25Å; I871-C880 HydrophobicContact CG1-CB 4.43Å; I871-C880 PolarHBondContact N-O 2.97Å; I871-C880 PolarHBondContact O-N 3.05Å; I871-C880 VanDerWaalsContact O-N 3.07Å; I871-F882 HydrophobicContact CD1-CD2 4.08Å; I871-F882 HydrophobicContact CD1-CE2 3.77Å; I871-T970 HydrophobicContact CB-CG2 4.23Å; I871-T970 HydrophobicContact CD1-CG2 4.14Å; I871-T970 HydrophobicContact CG2-CG2 3.51Å; I871-T970 VanDerWaalsContact CG2-CG2 3.41Å |
| 872 | P | 80.3 | Confident | 82.6 | Confident | 10 Ų | 10 | 35.5 Ų | 35.5 | 7% | 0.065 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 138.6 | -179 | 30.4 | -33.5 | 0 | 0 | 0 | 111.6 | W789 E821 R823 F870 F874 I910 | W789-P872 HydrophobicContact CE3-CG 4.46Å; W789-P872 HydrophobicContact CH2-CB 4.29Å; W789-P872 HydrophobicContact CZ3-CB 3.8Å; W789-P872 HydrophobicContact CZ3-CG 4Å; E821-P872 HydrophobicContact CG-CG 4.01Å; R823-P872 HydrophobicContact CG-CG 4.26Å; F870-P872 WeakPolarHBondContact O-CD 3.23Å; P872-F874 HydrophobicContact CB-CD2 4.13Å; P872-F874 HydrophobicContact CB-CE1 4.22Å; P872-F874 HydrophobicContact CB-CE2 3.61Å; P872-F874 HydrophobicContact CB-CZ 3.66Å; P872-F874 HydrophobicContact CG-CD2 4.43Å; P872-F874 HydrophobicContact CG-CE2 3.68Å; P872-F874 HydrophobicContact CG-CZ 3.98Å; P872-I910 HydrophobicContact CB-CD1 4.09Å |
| 873 | L | 77.5 | Confident | 82.6 | Confident | 24.5 Ų | 24.5 | 35.8 Ų | 35.8 | 13% | 0.128 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 76.7 | 168.6 | -75.1 | 173.3 | 0 | 0 | 0 | 108.3 | I824 Q875 F876 E877 A878 L966 K969 T970 F1371 | I824-L873 HydrophobicContact CD1-CD2 3.62Å; I824-L873 HydrophobicContact CD1-CG 4.49Å; L873-Q875 PolarHBondContact O-N 3.09Å; L873-Q875 VanDerWaalsContact O-N 3.12Å; L873-F876 HydrophobicContact CB-CD2 4.32Å; L873-F876 HydrophobicContact CD1-CD2 4.4Å; L873-F876 CarbonylContact O-C 3.52Å; L873-F876 PolarHBondContact O-N 2.94Å; L873-E877 PolarHBondContact O-N 3.1Å; L873-E877 VanDerWaalsContact O-N 3.15Å; L873-A878 PolarHBondContact N-O 3.22Å; L873-A878 PolarHBondContact O-N 2.8Å; L873-L966 HydrophobicContact CB-CD2 4.17Å; L873-L966 HydrophobicContact CD1-CD1 3.76Å; L873-L966 VanDerWaalsContact CD1-CD1 3.49Å; L873-L966 HydrophobicContact CD1-CD2 3.5Å; L873-L966 VanDerWaalsContact CD1-CD2 3.47Å; L873-L966 HydrophobicContact CD1-CG 3.98Å; L873-L966 HydrophobicContact CG-CD2 4.12Å; L873-K969 HydrophobicContact CD1-CB 4.33Å; L873-K969 HydrophobicContact CD1-CD 4.3Å; L873-K969 HydrophobicContact CD2-CB 4.3Å; L873-T970 HydrophobicContact CD1-CG2 4.33Å; L873-F1371 HydrophobicContact CD1-CZ 4.36Å |
| 874 | F | 74.7 | Confident | 82.6 | Confident | 71 Ų | 71 | 36.2 Ų | 36.2 | 31% | 0.311 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -56.1 | -32.9 | -174.9 | -66.5 | -70.9 | 0 | 0 | 0 | 113.8 | W789 R823 P872 F876 E877 I910 | W789-F874 HydrophobicContact CD2-CE1 4.45Å; W789-F874 HydrophobicContact CD2-CZ 4.14Å; W789-F874 AromaticContact CE3-CZ 3.97Å; W789-F874 HydrophobicContact CE3-CZ 4.05Å; W789-F874 HydrophobicContact CG-CZ 4.5Å; W789-F874 HydrophobicContact CZ3-CZ 4.47Å; R823-F874 VanDerWaalsContact NH2-CZ 3.33Å; P872-F874 HydrophobicContact CB-CD2 4.13Å; P872-F874 HydrophobicContact CB-CE1 4.22Å; P872-F874 HydrophobicContact CB-CE2 3.61Å; P872-F874 HydrophobicContact CB-CZ 3.66Å; P872-F874 HydrophobicContact CG-CD2 4.43Å; P872-F874 HydrophobicContact CG-CE2 3.68Å; P872-F874 HydrophobicContact CG-CZ 3.98Å; F874-F876 PolarHBondContact O-N 3.09Å; F874-F876 VanDerWaalsContact O-N 3.1Å; F874-E877 PolarHBondContact O-N 3.18Å; F874-E877 VanDerWaalsContact O-N 3.12Å; F874-I910 HydrophobicContact CD1-CD1 4.15Å; F874-I910 HydrophobicContact CE1-CD1 4.17Å; F874-I910 HydrophobicContact CE1-CG2 4.28Å |
| 875 | Q | 73.2 | Confident | 82.6 | Confident | 162.75 Ų | 162.75 | 37.3 Ų | 37.3 | 76% | 0.761 | 18% | 0.178 | S | C | * | . | G | 310 helix | trans | -57.3 | -27.2 | 174.5 | -89.2 | -179.1 | -7.6 | 0 | 0 | 113.7 | L873 | L873-Q875 PolarHBondContact O-N 3.09Å; L873-Q875 VanDerWaalsContact O-N 3.12Å |
| 876 | F | 72.4 | Confident | 82.7 | Confident | 42.5 Ų | 42.5 | 35.8 Ų | 35.8 | 19% | 0.186 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -114.1 | 9.1 | -179 | -57.6 | -77.3 | 0 | 0 | 0 | 112 | L873 F874 A878 K969 K1370 F1371 | L873-F876 HydrophobicContact CB-CD2 4.32Å; L873-F876 HydrophobicContact CD1-CD2 4.4Å; L873-F876 CarbonylContact O-C 3.52Å; L873-F876 PolarHBondContact O-N 2.94Å; F874-F876 PolarHBondContact O-N 3.09Å; F874-F876 VanDerWaalsContact O-N 3.1Å; F876-A878 VanDerWaalsContact C-N 3.25Å; F876-A878 PolarHBondContact O-N 3.08Å; F876-A878 VanDerWaalsContact O-N 3.14Å; F876-K969 HydrophobicContact CE2-CD 4.3Å; F876-K1370 WeakPolarHBondContact O-CD 3.48Å; F876-F1371 HydrophobicContact CB-CD1 4.37Å; F876-F1371 HydrophobicContact CB-CE1 3.95Å; F876-F1371 HydrophobicContact CB-CE2 4.47Å; F876-F1371 HydrophobicContact CB-CZ 4.03Å; F876-F1371 AromaticContact CD1-CD1 3.6Å; F876-F1371 HydrophobicContact CD1-CD1 3.6Å; F876-F1371 VanDerWaalsContact CD1-CD1 3.46Å; F876-F1371 AromaticContact CD1-CE1 3.59Å; F876-F1371 HydrophobicContact CD1-CE1 3.59Å; F876-F1371 VanDerWaalsContact CD1-CE1 3.5Å; F876-F1371 HydrophobicContact CD1-CG 4.3Å; F876-F1371 HydrophobicContact CD1-CZ 4.43Å; F876-F1371 AromaticContact CD2-CE1 3.88Å; F876-F1371 HydrophobicContact CD2-CE1 3.95Å; F876-F1371 HydrophobicContact CD2-CZ 4.47Å; F876-F1371 AromaticContact CE1-CD1 3.92Å; F876-F1371 HydrophobicContact CE1-CD1 4.05Å; F876-F1371 HydrophobicContact CE1-CE1 4.17Å; F876-F1371 HydrophobicContact CE2-CE1 4.41Å; F876-F1371 AromaticContact CG-CD1 3.9Å; F876-F1371 HydrophobicContact CG-CD1 4.02Å; F876-F1371 AromaticContact CG-CE1 3.5Å; F876-F1371 HydrophobicContact CG-CE1 3.5Å; F876-F1371 VanDerWaalsContact CG-CE1 3.41Å; F876-F1371 AromaticContact CG-CZ 3.97Å; F876-F1371 HydrophobicContact CG-CZ 4.08Å; F876-F1371 HydrophobicContact CZ-CE1 4.49Å |
| 877 | E | 78.8 | Confident | 82.7 | Confident | 84.25 Ų | 84.25 | 34.4 Ų | 34.4 | 39% | 0.394 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | 43.8 | -179.4 | -68 | 177.5 | -177.9 | 0 | 0 | 113 | L873 F874 S909 I910 K1370 | L873-E877 PolarHBondContact O-N 3.1Å; L873-E877 VanDerWaalsContact O-N 3.15Å; F874-E877 PolarHBondContact O-N 3.18Å; F874-E877 VanDerWaalsContact O-N 3.12Å; E877-S909 CarbonylContact O-C 3.39Å; E877-S909 VanDerWaalsContact O-CA 3.27Å; E877-S909 WeakPolarHBondContact O-CA 3.36Å; E877-I910 WeakPolarHBondContact CA-O 3.36Å; E877-I910 WeakPolarHBondContact CB-O 3.43Å; E877-I910 WeakPolarHBondContact CG-O 3.13Å; E877-I910 PolarHBondContact O-N 3.05Å; E877-K1370 HydrophobicContact CB-CD 4.15Å; E877-K1370 VanDerWaalsContact CD-CE 3.45Å; E877-K1370 HydrophobicContact CG-CD 4.14Å; E877-K1370 PolarHBondContact O-NZ 3.13Å; E877-K1370 IonicContact OE1-NZ 3.26Å; E877-K1370 PolarHBondContact OE1-NZ 3.08Å; E877-K1370 WeakPolarHBondContact OE2-CD 3.33Å; E877-K1370 WeakPolarHBondContact OE2-CE 3.42Å; E877-K1370 IonicContact OE2-NZ 3.47Å; E877-K1370 PolarHBondContact OE2-NZ 2.98Å |
| 878 | A | 78.8 | Confident | 82.8 | Confident | 6.25 Ų | 6.25 | 34.8 Ų | 34.8 | 5% | 0.052 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 146.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L873 F876 F908 L966 | L873-A878 PolarHBondContact N-O 3.22Å; L873-A878 PolarHBondContact O-N 2.8Å; F876-A878 VanDerWaalsContact C-N 3.25Å; F876-A878 PolarHBondContact O-N 3.08Å; F876-A878 VanDerWaalsContact O-N 3.14Å; A878-F908 WeakPolarHBondContact CA-O 3.38Å; A878-L966 HydrophobicContact CB-CD1 3.94Å; A878-L966 HydrophobicContact CB-CD2 3.94Å |
| 879 | C | 80.7 | Confident | 82.8 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 144.7 | 175.7 | -163.8 | 0 | 0 | 0 | 0 | 111.2 | W789 S907 F908 I910 | W789-C879 HydrophobicContact CH2-CB 4.12Å; C879-S907 VanDerWaalsContact O-CA 3.3Å; C879-S907 WeakPolarHBondContact O-CA 3.28Å; C879-S907 WeakPolarHBondContact O-CB 3Å; C879-F908 HydrophobicContact CB-CD1 4.32Å; C879-F908 HydrophobicContact CB-CD2 4.28Å; C879-F908 HydrophobicContact CB-CE1 3.9Å; C879-F908 HydrophobicContact CB-CE2 3.8Å; C879-F908 HydrophobicContact CB-CG 4.41Å; C879-F908 HydrophobicContact CB-CZ 3.59Å; C879-F908 PolarHBondContact N-O 3.16Å; C879-F908 PolarHBondContact O-N 3.16Å; C879-F908 VanDerWaalsContact O-N 3.15Å; C879-I910 HydrophobicContact CB-CD1 3.73Å; C879-I910 VanDerWaalsContact CB-CD1 3.44Å; C879-I910 HydrophobicContact CB-CG1 3.96Å |
| 880 | C | 83.8 | Confident | 82.8 | Confident | 0.25 Ų | 0.25 | 35.9 Ų | 35.9 | 0% | 0.002 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 124.4 | 162 | -159.8 | 0 | 0 | 0 | 0 | 108.6 | I871 F882 Y906 L966 | I871-C880 HydrophobicContact CB-CB 4.25Å; I871-C880 HydrophobicContact CG1-CB 4.43Å; I871-C880 PolarHBondContact N-O 2.97Å; I871-C880 PolarHBondContact O-N 3.05Å; I871-C880 VanDerWaalsContact O-N 3.07Å; C880-F882 HydrophobicContact CB-CE2 4.29Å; C880-F882 VanDerWaalsContact SG-CE2 3.54Å; C880-Y906 CarbonylContact C-O 3.51Å; C880-Y906 WeakPolarHBondContact CA-O 3.26Å; C880-L966 HydrophobicContact CB-CD2 3.32Å; C880-L966 HydrophobicContact CB-CG 4.18Å |
| 881 | L | 84.9 | Confident | 82.8 | Confident | 0.75 Ų | 0.75 | 41 Ų | 41 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 124.7 | 173.7 | 168.4 | 61.8 | 0 | 0 | 0 | 109.7 | I869 F870 C905 Y906 F908 M919 L922 | I869-L881 WeakPolarHBondContact O-CA 3.34Å; F870-L881 HydrophobicContact CD1-CB 4.41Å; F870-L881 HydrophobicContact CD1-CD1 3.86Å; F870-L881 HydrophobicContact CD2-CD1 4.32Å; F870-L881 HydrophobicContact CE1-CD1 3.67Å; F870-L881 HydrophobicContact CE1-CD2 3.98Å; F870-L881 HydrophobicContact CE1-CG 4.29Å; F870-L881 HydrophobicContact CE2-CD1 4.14Å; F870-L881 HydrophobicContact CG-CD1 4.18Å; F870-L881 HydrophobicContact CZ-CD1 3.81Å; F870-L881 HydrophobicContact CZ-CD2 4.4Å; L881-C905 CarbonylContact O-C 3.53Å; L881-C905 WeakPolarHBondContact O-CA 3.43Å; L881-Y906 HydrophobicContact CB-CD2 4.46Å; L881-Y906 HydrophobicContact CD2-CD2 3.94Å; L881-Y906 HydrophobicContact CD2-CE1 4.13Å; L881-Y906 HydrophobicContact CD2-CE2 4.04Å; L881-Y906 WeakPolarHBondContact CD2-OH 3.29Å; L881-Y906 HydrophobicContact CG-CD2 4.08Å; L881-Y906 HydrophobicContact CG-CE1 4.43Å; L881-Y906 PolarHBondContact N-O 3.1Å; L881-Y906 PolarHBondContact O-N 3.18Å; L881-Y906 VanDerWaalsContact O-N 3.17Å; L881-F908 HydrophobicContact CB-CE1 3.89Å; L881-F908 HydrophobicContact CD2-CE1 4.41Å; L881-M919 HydrophobicContact CD2-CE 4.43Å; L881-M919 HydrophobicContact CD2-SD 4.45Å; L881-L922 HydrophobicContact CD2-CD1 3.85Å |
| 882 | F | 87.1 | Confident | 82.7 | Confident | 51.25 Ų | 51.25 | 43 Ų | 43 | 23% | 0.225 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 122.2 | 166.2 | -64.8 | -90.7 | 0 | 0 | 0 | 109.2 | S868 I869 I871 C880 F884 E904 C905 L967 | S868-F882 CarbonylContact C-O 3.52Å; S868-F882 WeakPolarHBondContact CA-O 3.35Å; I869-F882 HydrophobicContact CB-CB 4.25Å; I869-F882 PolarHBondContact N-O 3.23Å; I869-F882 PolarHBondContact O-N 2.95Å; I871-F882 HydrophobicContact CD1-CD2 4.08Å; I871-F882 HydrophobicContact CD1-CE2 3.77Å; C880-F882 HydrophobicContact CB-CE2 4.29Å; C880-F882 VanDerWaalsContact SG-CE2 3.54Å; F882-F884 HydrophobicContact CB-CE2 3.96Å; F882-F884 HydrophobicContact CB-CZ 4.22Å; F882-E904 CarbonylContact C-O 3.58Å; F882-E904 WeakPolarHBondContact CA-O 3.41Å; F882-C905 HydrophobicContact CD1-CB 3.93Å; F882-C905 HydrophobicContact CE1-CB 3.96Å; F882-C905 VanDerWaalsContact CE1-SG 3.52Å; F882-C905 WeakPolarHBondContact CE1-SG 3.31Å; F882-L967 HydrophobicContact CE2-CD2 4.36Å; F882-L967 HydrophobicContact CZ-CD2 3.73Å |
| 883 | R | 86.4 | Confident | 82.3 | Confident | 52.75 Ų | 52.75 | 46 Ų | 46 | 20% | 0.199 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 132.8 | 178.8 | -167.9 | -179.8 | -176.9 | -162.7 | 1.7 | 109.8 | E866 I867 T885 A903 E904 Y906 | E866-R883 IonicContact OE1-CZ 3.58Å; E866-R883 IonicContact OE1-NE 3.8Å; E866-R883 PolarHBondContact OE1-NE 3.06Å; E866-R883 IonicContact OE1-NH2 3.13Å; E866-R883 PolarHBondContact OE1-NH2 3.22Å; E866-R883 IonicContact OE2-NH2 3.35Å; I867-R883 CarbonylContact O-C 3.53Å; I867-R883 VanDerWaalsContact O-CA 3.28Å; I867-R883 WeakPolarHBondContact O-CA 3.41Å; R883-T885 HydrophobicContact CG-CG2 4.46Å; R883-A903 CarbonylContact O-C 3.55Å; R883-A903 WeakPolarHBondContact O-CA 3.25Å; R883-E904 HydrophobicContact CB-CB 4.32Å; R883-E904 PolarHBondContact N-O 3.08Å; R883-E904 IonicContact NH1-OE2 3.3Å; R883-E904 PolarHBondContact NH1-OE2 2.93Å; R883-E904 VanDerWaalsContact NH1-OE2 3.16Å; R883-E904 PolarHBondContact O-N 3.21Å; R883-Y906 HydrophobicContact CB-CE2 4.37Å |
| 884 | F | 88.3 | Confident | 82.4 | Confident | 50.25 Ų | 50.25 | 52.3 Ų | 52.3 | 22% | 0.22 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 122 | 175.4 | -52.2 | -85 | 0 | 0 | 0 | 108.6 | E866 I867 I869 F882 I900 L902 A903 | E866-F884 CarbonylContact C-O 3.57Å; E866-F884 WeakPolarHBondContact CA-O 3.16Å; I867-F884 HydrophobicContact CB-CB 4.21Å; I867-F884 HydrophobicContact CB-CD2 4.1Å; I867-F884 HydrophobicContact CG2-CD2 4.15Å; I867-F884 PolarHBondContact N-O 3Å; I867-F884 PolarHBondContact O-N 3.18Å; I869-F884 HydrophobicContact CD1-CE2 4.08Å; I869-F884 HydrophobicContact CG1-CE2 4.47Å; F882-F884 HydrophobicContact CB-CE2 3.96Å; F882-F884 HydrophobicContact CB-CZ 4.22Å; F884-I900 HydrophobicContact CB-CG2 4.32Å; F884-I900 HydrophobicContact CD1-CD1 3.7Å; F884-I900 HydrophobicContact CD1-CG2 4.33Å; F884-I900 HydrophobicContact CE1-CD1 4.15Å; F884-I900 HydrophobicContact CG-CD1 4.41Å; F884-L902 CarbonylContact C-O 3.57Å; F884-L902 WeakPolarHBondContact CA-O 3.2Å; F884-A903 HydrophobicContact CD1-CB 3.71Å; F884-A903 HydrophobicContact CE1-CB 3.93Å |
| 885 | T | 87.1 | Confident | 82.8 | Confident | 26.75 Ų | 26.75 | 52.4 Ų | 52.4 | 16% | 0.164 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 141.8 | 175.1 | 62.8 | 0 | 0 | 0 | 0 | 110.8 | D865 E866 R883 S887 E901 L902 | D865-T885 CarbonylContact O-C 3.5Å; D865-T885 VanDerWaalsContact O-CA 3.31Å; D865-T885 WeakPolarHBondContact O-CA 3.19Å; E866-T885 HydrophobicContact CG-CG2 4.46Å; R883-T885 HydrophobicContact CG-CG2 4.46Å; T885-S887 PolarHBondContact O-N 3.32Å; T885-E901 PolarHBondContact O-N 3.27Å; T885-E901 VanDerWaalsContact O-N 3.14Å; T885-L902 PolarHBondContact N-O 3.13Å; T885-L902 PolarHBondContact O-N 2.99Å; T885-L902 VanDerWaalsContact OG1-CB 3.31Å; T885-L902 WeakPolarHBondContact OG1-CB 3.33Å; T885-L902 PolarHBondContact OG1-N 2.84Å; T885-L902 PolarHBondContact OG1-O 3.07Å |
| 886 | S | 87.3 | Confident | 83.4 | Confident | 45 Ų | 45 | 46.3 Ų | 46.3 | 32% | 0.315 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 45.6 | 65.6 | 179.5 | -46 | 0 | 0 | 0 | 0 | 112.9 | V864 D865 E901 | V864-S886 CarbonylContact O-C 3.55Å; V864-S886 WeakPolarHBondContact O-CA 3.16Å; D865-S886 PolarHBondContact O-N 3.11Å; S886-E901 WeakPolarHBondContact CB-OE2 3.33Å; S886-E901 PolarHBondContact O-N 3.24Å; S886-E901 PolarHBondContact OG-OE2 3.25Å |
| 887 | S | 87 | Confident | 84.2 | Confident | 4.75 Ų | 4.75 | 47 Ų | 47 | 3% | 0.033 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 136.6 | 175 | 71.8 | 0 | 0 | 0 | 0 | 111.7 | N863 V864 T885 F899 | N863-S887 CarbonylContact C-O 3.5Å; N863-S887 WeakPolarHBondContact CA-O 3.35Å; V864-S887 WeakPolarHBondContact CB-OG 3.27Å; V864-S887 PolarHBondContact N-O 3.08Å; V864-S887 PolarHBondContact O-N 3.33Å; V864-S887 PolarHBondContact O-OG 2.94Å; T885-S887 PolarHBondContact O-N 3.32Å; S887-F899 CarbonylContact C-O 3.54Å; S887-F899 VanDerWaalsContact CA-O 3.25Å; S887-F899 WeakPolarHBondContact CA-O 3.37Å |
| 888 | S | 88.6 | Confident | 84.6 | Confident | 36.5 Ų | 36.5 | 46.1 Ų | 46.1 | 26% | 0.255 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 128.9 | 173 | 124.9 | 0 | 0 | 0 | 0 | 109.9 | L862 N863 F898 F899 | L862-S888 CarbonylContact O-C 3.47Å; L862-S888 VanDerWaalsContact O-CA 3.28Å; L862-S888 WeakPolarHBondContact O-CA 3.39Å; N863-S888 VanDerWaalsContact OD1-CB 3.29Å; N863-S888 WeakPolarHBondContact OD1-CB 3.36Å; N863-S888 PolarHBondContact OD1-OG 2.91Å; S888-F898 CarbonylContact O-C 3.48Å; S888-F898 VanDerWaalsContact O-CA 3.32Å; S888-F898 WeakPolarHBondContact O-CA 3.42Å; S888-F899 PolarHBondContact N-O 2.98Å; S888-F899 PolarHBondContact O-N 3.19Å |
| 889 | T | 87.5 | Confident | 85.2 | Confident | 34.75 Ų | 34.75 | 49.4 Ų | 49.4 | 21% | 0.213 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 121.9 | 179.7 | -14.6 | 0 | 0 | 0 | 0 | 107.7 | F860 K861 L862 T897 F898 | F860-T889 HydrophobicContact CE1-CG2 4.31Å; F860-T889 HydrophobicContact CE2-CG2 4.11Å; F860-T889 HydrophobicContact CZ-CG2 4.03Å; K861-T889 CarbonylContact C-O 3.57Å; K861-T889 VanDerWaalsContact CA-O 3.27Å; K861-T889 WeakPolarHBondContact CA-O 3.36Å; L862-T889 HydrophobicContact CB-CG2 4.29Å; L862-T889 WeakPolarHBondContact CB-OG1 2.87Å; L862-T889 HydrophobicContact CD2-CG2 4.32Å; L862-T889 PolarHBondContact N-O 3.12Å; L862-T889 PolarHBondContact O-N 2.99Å; T889-T897 CarbonylContact C-O 3.52Å; T889-T897 WeakPolarHBondContact CA-O 3.43Å; T889-F898 HydrophobicContact CG2-CB 4.27Å; T889-F898 HydrophobicContact CG2-CD2 3.69Å; T889-F898 HydrophobicContact CG2-CE2 3.9Å; T889-F898 VanDerWaalsContact CG2-CE2 3.45Å; T889-F898 HydrophobicContact CG2-CG 4.41Å; T889-F898 VanDerWaalsContact OG1-CD2 3.26Å; T889-F898 WeakPolarHBondContact OG1-CD2 3.43Å |
| 890 | A | 86.8 | Confident | 85.6 | Confident | 29.75 Ų | 29.75 | 49.9 Ų | 49.9 | 25% | 0.246 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 132.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | F860 K861 S896 T897 | F860-A890 CarbonylContact O-C 3.55Å; F860-A890 WeakPolarHBondContact O-CA 3.38Å; K861-A890 HydrophobicContact CG-CB 4.44Å; A890-S896 CarbonylContact O-C 3.51Å; A890-S896 WeakPolarHBondContact O-CA 3.4Å; A890-T897 PolarHBondContact N-O 3.23Å; A890-T897 PolarHBondContact O-N 2.81Å; A890-T897 VanDerWaalsContact O-O 3.12Å |
| 891 | Y | 84.2 | Confident | 85.9 | Confident | 107.75 Ų | 107.75 | 54.3 Ų | 54.3 | 42% | 0.423 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 126.5 | 178.2 | 174 | -93.9 | 0 | 0 | 0 | 109.5 | Y858 A859 F860 | Y858-Y891 WeakPolarHBondContact O-CE1 3.36Å; A859-Y891 CarbonylContact C-O 3.55Å; A859-Y891 VanDerWaalsContact CA-O 3.28Å; A859-Y891 WeakPolarHBondContact CA-O 3.34Å; A859-Y891 WeakPolarHBondContact CB-O 3.3Å; F860-Y891 HydrophobicContact CD1-CD1 4.01Å; F860-Y891 AromaticContact CD1-CG 3.95Å; F860-Y891 HydrophobicContact CD1-CG 3.95Å; F860-Y891 AromaticContact CD2-CD1 3.72Å; F860-Y891 HydrophobicContact CD2-CD1 3.72Å; F860-Y891 HydrophobicContact CD2-CE1 4.41Å; F860-Y891 HydrophobicContact CD2-CG 4.4Å; F860-Y891 HydrophobicContact CE1-CD1 4.31Å; F860-Y891 AromaticContact CE1-CG 3.84Å; F860-Y891 HydrophobicContact CE1-CG 3.84Å; F860-Y891 HydrophobicContact CE2-CD1 4.35Å; F860-Y891 PolarHBondContact N-O 3.07Å; F860-Y891 PolarHBondContact O-N 3.04Å |
| 892 | T | 80.4 | Confident | 86 | Confident | 61.25 Ų | 61.25 | 55.9 Ų | 55.9 | 38% | 0.376 | 29% | 0.292 | S | S | . | . | trans | -122.8 | 162.5 | 163.1 | 67.4 | 0 | 0 | 0 | 0 | 108.5 | E894 L895 | T892-E894 PolarHBondContact O-N 2.97Å; T892-E894 VanDerWaalsContact O-N 3.07Å; T892-L895 PolarHBondContact N-O 3Å; T892-L895 PolarHBondContact O-N 3.11Å; T892-L895 PolarHBondContact OG1-N 2.87Å; T892-L895 VanDerWaalsContact OG1-N 3.12Å; T892-L895 PolarHBondContact OG1-O 2.84Å | ||
| 893 | P | 73.2 | Confident | 86.1 | Confident | 72.75 Ų | 72.75 | 54.2 Ų | 54.2 | 47% | 0.472 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -56.1 | -24.5 | 179.3 | -25.7 | 34.4 | 0 | 0 | 0 | 114.6 | K857 | K857-P893 HydrophobicContact CB-CG 4.27Å; K857-P893 HydrophobicContact CD-CG 4.39Å; K857-P893 HydrophobicContact CG-CG 4.21Å |
| 894 | E | 78.3 | Confident | 86.2 | Confident | 157 Ų | 157 | 52 Ų | 52 | 73% | 0.734 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -102.2 | -30.3 | -176.1 | -67.3 | 171.3 | -165.2 | 0 | 0 | 112.8 | T892 W940 | T892-E894 PolarHBondContact O-N 2.97Å; T892-E894 VanDerWaalsContact O-N 3.07Å; E894-W940 WeakPolarHBondContact O-CB 3.35Å |
| 895 | L | 84.4 | Confident | 86.1 | Confident | 73 Ų | 73 | 50.5 Ų | 50.5 | 38% | 0.382 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 129.8 | -172.4 | -179.6 | 69.6 | 0 | 0 | 0 | 111.1 | T892 T897 W940 | T892-L895 PolarHBondContact N-O 3Å; T892-L895 PolarHBondContact O-N 3.11Å; T892-L895 PolarHBondContact OG1-N 2.87Å; T892-L895 VanDerWaalsContact OG1-N 3.12Å; T892-L895 PolarHBondContact OG1-O 2.84Å; L895-T897 HydrophobicContact CD1-CG2 4.23Å; L895-T897 HydrophobicContact CD2-CG2 3.82Å; L895-T897 HydrophobicContact CG-CG2 3.87Å; L895-W940 HydrophobicContact CD1-CB 3.96Å; L895-W940 HydrophobicContact CD1-CE3 4.43Å |
| 896 | S | 86.2 | Confident | 85.8 | Confident | 34.25 Ų | 34.25 | 50 Ų | 50 | 24% | 0.24 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 122.3 | 166.6 | 59.2 | 0 | 0 | 0 | 0 | 109.7 | A890 S938 C939 | A890-S896 CarbonylContact O-C 3.51Å; A890-S896 WeakPolarHBondContact O-CA 3.4Å; S896-S938 CarbonylContact O-C 3.52Å; S896-S938 WeakPolarHBondContact O-CA 3.38Å; S896-C939 PolarHBondContact N-O 2.99Å; S896-C939 PolarHBondContact O-N 2.75Å; S896-C939 VanDerWaalsContact OG-CB 3.3Å; S896-C939 WeakPolarHBondContact OG-CB 3.35Å; S896-C939 PolarHBondContact OG-O 3.03Å |
| 897 | T | 87.6 | Confident | 85.5 | Confident | 57.25 Ų | 57.25 | 49.6 Ų | 49.6 | 35% | 0.351 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 142 | 174.6 | 58.1 | 0 | 0 | 0 | 0 | 110.2 | T889 A890 L895 I937 | T889-T897 CarbonylContact C-O 3.52Å; T889-T897 WeakPolarHBondContact CA-O 3.43Å; A890-T897 PolarHBondContact N-O 3.23Å; A890-T897 PolarHBondContact O-N 2.81Å; A890-T897 VanDerWaalsContact O-O 3.12Å; L895-T897 HydrophobicContact CD1-CG2 4.23Å; L895-T897 HydrophobicContact CD2-CG2 3.82Å; L895-T897 HydrophobicContact CG-CG2 3.87Å; T897-I937 CarbonylContact C-O 3.53Å; T897-I937 WeakPolarHBondContact CA-O 3.38Å |
| 898 | F | 88.7 | Confident | 85.1 | Confident | 66.5 Ų | 66.5 | 50 Ų | 50 | 29% | 0.292 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 128 | 177.2 | 176.1 | -106 | 0 | 0 | 0 | 108 | S888 T889 I900 S936 I937 | S888-F898 CarbonylContact O-C 3.48Å; S888-F898 VanDerWaalsContact O-CA 3.32Å; S888-F898 WeakPolarHBondContact O-CA 3.42Å; T889-F898 HydrophobicContact CG2-CB 4.27Å; T889-F898 HydrophobicContact CG2-CD2 3.69Å; T889-F898 HydrophobicContact CG2-CE2 3.9Å; T889-F898 VanDerWaalsContact CG2-CE2 3.45Å; T889-F898 HydrophobicContact CG2-CG 4.41Å; T889-F898 VanDerWaalsContact OG1-CD2 3.26Å; T889-F898 WeakPolarHBondContact OG1-CD2 3.43Å; F898-I900 HydrophobicContact CD1-CD1 4.29Å; F898-I900 HydrophobicContact CD1-CG1 4.23Å; F898-I900 HydrophobicContact CE1-CD1 3.21Å; F898-I900 HydrophobicContact CE1-CG1 3.42Å; F898-I900 HydrophobicContact CE2-CG1 4.29Å; F898-I900 HydrophobicContact CZ-CD1 3.46Å; F898-I900 VanDerWaalsContact CZ-CD1 3.42Å; F898-I900 HydrophobicContact CZ-CG1 3.48Å; F898-I900 VanDerWaalsContact CZ-CG1 3.49Å; F898-S936 CarbonylContact O-C 3.52Å; F898-S936 WeakPolarHBondContact O-CA 3.27Å; F898-I937 HydrophobicContact CB-CB 4.21Å; F898-I937 HydrophobicContact CD1-CB 4.37Å; F898-I937 HydrophobicContact CD1-CD1 3.81Å; F898-I937 HydrophobicContact CD1-CG1 4.13Å; F898-I937 HydrophobicContact CE1-CD1 4.35Å; F898-I937 PolarHBondContact N-O 3.09Å; F898-I937 PolarHBondContact O-N 2.87Å |
| 899 | F | 91 | Very high | 84.4 | Confident | 75.75 Ų | 75.75 | 51.3 Ų | 51.3 | 33% | 0.332 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 138.2 | -178.6 | 177.1 | -99.3 | 0 | 0 | 0 | 108.8 | S887 S888 E901 A934 V935 | S887-F899 CarbonylContact C-O 3.54Å; S887-F899 VanDerWaalsContact CA-O 3.25Å; S887-F899 WeakPolarHBondContact CA-O 3.37Å; S888-F899 PolarHBondContact N-O 2.98Å; S888-F899 PolarHBondContact O-N 3.19Å; F899-E901 HydrophobicContact CE1-CB 4.23Å; F899-A934 HydrophobicContact CE2-CB 4.47Å; F899-V935 CarbonylContact C-O 3.48Å; F899-V935 VanDerWaalsContact CA-O 3.3Å; F899-V935 WeakPolarHBondContact CA-O 3.43Å; F899-V935 WeakPolarHBondContact CD2-O 3.32Å |
| 900 | I | 88.7 | Confident | 83.7 | Confident | 9.5 Ų | 9.5 | 50.2 Ų | 50.2 | 5% | 0.049 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 129.8 | 171.1 | -58.6 | 168.3 | 0 | 0 | 0 | 107.3 | F884 F898 L902 A903 A934 V935 | F884-I900 HydrophobicContact CB-CG2 4.32Å; F884-I900 HydrophobicContact CD1-CD1 3.7Å; F884-I900 HydrophobicContact CD1-CG2 4.33Å; F884-I900 HydrophobicContact CE1-CD1 4.15Å; F884-I900 HydrophobicContact CG-CD1 4.41Å; F898-I900 HydrophobicContact CD1-CD1 4.29Å; F898-I900 HydrophobicContact CD1-CG1 4.23Å; F898-I900 HydrophobicContact CE1-CD1 3.21Å; F898-I900 HydrophobicContact CE1-CG1 3.42Å; F898-I900 HydrophobicContact CE2-CG1 4.29Å; F898-I900 HydrophobicContact CZ-CD1 3.46Å; F898-I900 VanDerWaalsContact CZ-CD1 3.42Å; F898-I900 HydrophobicContact CZ-CG1 3.48Å; F898-I900 VanDerWaalsContact CZ-CG1 3.49Å; I900-L902 VanDerWaalsContact CG2-C 3.48Å; I900-L902 VanDerWaalsContact CG2-O 3.29Å; I900-L902 WeakPolarHBondContact CG2-O 3.3Å; I900-A903 HydrophobicContact CD1-CB 4.47Å; I900-A903 HydrophobicContact CG2-CB 4.17Å; I900-A934 CarbonylContact O-C 3.49Å; I900-A934 WeakPolarHBondContact O-CA 3.33Å; I900-V935 HydrophobicContact CB-CB 4.44Å; I900-V935 PolarHBondContact N-O 3.08Å; I900-V935 PolarHBondContact O-N 3.09Å |
| 901 | E | 89.4 | Confident | 82.7 | Confident | 92.75 Ų | 92.75 | 53.8 Ų | 53.8 | 43% | 0.433 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | -42.8 | 176.4 | -174 | 175.2 | -168.5 | 0 | 0 | 112.5 | T885 S886 F899 E933 A934 | T885-E901 PolarHBondContact O-N 3.27Å; T885-E901 VanDerWaalsContact O-N 3.14Å; S886-E901 WeakPolarHBondContact CB-OE2 3.33Å; S886-E901 PolarHBondContact O-N 3.24Å; S886-E901 PolarHBondContact OG-OE2 3.25Å; F899-E901 HydrophobicContact CE1-CB 4.23Å; E901-E933 CarbonylContact O-C 3.53Å; E901-E933 WeakPolarHBondContact O-CA 3.39Å; E901-A934 PolarHBondContact O-N 3.03Å |
| 902 | L | 88.3 | Confident | 81.5 | Confident | 34 Ų | 34 | 52.2 Ų | 52.2 | 18% | 0.178 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 129.4 | 174.2 | 170.3 | 74.8 | 0 | 0 | 0 | 109.9 | F884 T885 I900 E904 Y931 E933 | F884-L902 CarbonylContact C-O 3.57Å; F884-L902 WeakPolarHBondContact CA-O 3.2Å; T885-L902 PolarHBondContact N-O 3.13Å; T885-L902 PolarHBondContact O-N 2.99Å; T885-L902 VanDerWaalsContact OG1-CB 3.31Å; T885-L902 WeakPolarHBondContact OG1-CB 3.33Å; T885-L902 PolarHBondContact OG1-N 2.84Å; T885-L902 PolarHBondContact OG1-O 3.07Å; I900-L902 VanDerWaalsContact CG2-C 3.48Å; I900-L902 VanDerWaalsContact CG2-O 3.29Å; I900-L902 WeakPolarHBondContact CG2-O 3.3Å; L902-E904 HydrophobicContact CD1-CG 3.99Å; L902-E904 HydrophobicContact CD2-CG 3.91Å; L902-E904 HydrophobicContact CG-CG 3.73Å; L902-Y931 HydrophobicContact CD1-CD2 4.2Å; L902-E933 HydrophobicContact CB-CG 4.48Å; L902-E933 HydrophobicContact CD1-CG 3.64Å |
| 903 | A | 88.7 | Confident | 80.5 | Confident | 15.5 Ų | 15.5 | 53 Ų | 53 | 13% | 0.128 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 121.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109 | R883 F884 I900 Y931 I932 | R883-A903 CarbonylContact O-C 3.55Å; R883-A903 WeakPolarHBondContact O-CA 3.25Å; F884-A903 HydrophobicContact CD1-CB 3.71Å; F884-A903 HydrophobicContact CE1-CB 3.93Å; I900-A903 HydrophobicContact CD1-CB 4.47Å; I900-A903 HydrophobicContact CG2-CB 4.17Å; A903-Y931 CarbonylContact O-C 3.54Å; A903-Y931 WeakPolarHBondContact O-CA 3.33Å; A903-I932 PolarHBondContact N-O 3.16Å; A903-I932 PolarHBondContact O-N 3.06Å |
| 904 | E | 88.7 | Confident | 79.6 | Confident | 7.5 Ų | 7.5 | 54.5 Ų | 54.5 | 4% | 0.035 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 146 | -178.4 | -50.6 | -175.7 | 110.7 | 0 | 0 | 110.7 | F882 R883 L902 Y906 R926 R929 S930 | F882-E904 CarbonylContact C-O 3.58Å; F882-E904 WeakPolarHBondContact CA-O 3.41Å; R883-E904 HydrophobicContact CB-CB 4.32Å; R883-E904 PolarHBondContact N-O 3.08Å; R883-E904 IonicContact NH1-OE2 3.3Å; R883-E904 PolarHBondContact NH1-OE2 2.93Å; R883-E904 VanDerWaalsContact NH1-OE2 3.16Å; R883-E904 PolarHBondContact O-N 3.21Å; L902-E904 HydrophobicContact CD1-CG 3.99Å; L902-E904 HydrophobicContact CD2-CG 3.91Å; L902-E904 HydrophobicContact CG-CG 3.73Å; E904-Y906 HydrophobicContact CB-CD1 4.46Å; E904-Y906 HydrophobicContact CB-CD2 4.26Å; E904-Y906 HydrophobicContact CB-CE1 4.45Å; E904-Y906 HydrophobicContact CB-CE2 3.48Å; E904-Y906 VanDerWaalsContact CB-CE2 3.48Å; E904-Y906 HydrophobicContact CG-CE2 4.38Å; E904-Y906 PolarHBondContact OE1-OH 3.2Å; E904-Y906 PolarHBondContact OE2-OH 3.19Å; E904-R926 IonicContact OE1-NH2 3.95Å; E904-R926 IonicContact OE2-NH2 2.83Å; E904-R929 IonicContact OE1-CZ 3.36Å; E904-R929 VanDerWaalsContact OE1-CZ 3.29Å; E904-R929 IonicContact OE1-NE 3.16Å; E904-R929 IonicContact OE1-NH1 3.75Å; E904-R929 PolarHBondContact OE1-NH1 2.86Å; E904-S930 CarbonylContact C-O 3.56Å; E904-S930 VanDerWaalsContact CA-O 3.3Å; E904-S930 WeakPolarHBondContact CA-O 3.34Å |
| 905 | C | 86.2 | Confident | 78.8 | Confident | 17.25 Ų | 17.25 | 53.4 Ų | 53.4 | 12% | 0.117 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 125.4 | 171.8 | 178.9 | 0 | 0 | 0 | 0 | 109.5 | L881 F882 S930 | L881-C905 CarbonylContact O-C 3.53Å; L881-C905 WeakPolarHBondContact O-CA 3.43Å; F882-C905 HydrophobicContact CD1-CB 3.93Å; F882-C905 HydrophobicContact CE1-CB 3.96Å; F882-C905 VanDerWaalsContact CE1-SG 3.52Å; F882-C905 WeakPolarHBondContact CE1-SG 3.31Å; C905-S930 PolarHBondContact N-O 2.81Å; C905-S930 WeakPolarHBondContact O-CB 3.28Å; C905-S930 PolarHBondContact O-N 3.02Å |
| 906 | Y | 80.9 | Confident | 77.9 | Confident | 17.75 Ų | 17.75 | 52.8 Ų | 52.8 | 7% | 0.07 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 153 | 177.3 | -0.6 | -87.1 | 0 | 0 | 0 | 110.8 | C880 L881 R883 E904 F908 L922 R929 | C880-Y906 CarbonylContact C-O 3.51Å; C880-Y906 WeakPolarHBondContact CA-O 3.26Å; L881-Y906 HydrophobicContact CB-CD2 4.46Å; L881-Y906 HydrophobicContact CD2-CD2 3.94Å; L881-Y906 HydrophobicContact CD2-CE1 4.13Å; L881-Y906 HydrophobicContact CD2-CE2 4.04Å; L881-Y906 WeakPolarHBondContact CD2-OH 3.29Å; L881-Y906 HydrophobicContact CG-CD2 4.08Å; L881-Y906 HydrophobicContact CG-CE1 4.43Å; L881-Y906 PolarHBondContact N-O 3.1Å; L881-Y906 PolarHBondContact O-N 3.18Å; L881-Y906 VanDerWaalsContact O-N 3.17Å; R883-Y906 HydrophobicContact CB-CE2 4.37Å; E904-Y906 HydrophobicContact CB-CD1 4.46Å; E904-Y906 HydrophobicContact CB-CD2 4.26Å; E904-Y906 HydrophobicContact CB-CE1 4.45Å; E904-Y906 HydrophobicContact CB-CE2 3.48Å; E904-Y906 VanDerWaalsContact CB-CE2 3.48Å; E904-Y906 HydrophobicContact CG-CE2 4.38Å; E904-Y906 PolarHBondContact OE1-OH 3.2Å; E904-Y906 PolarHBondContact OE2-OH 3.19Å; Y906-F908 HydrophobicContact CD2-CD1 4.3Å; Y906-F908 HydrophobicContact CE2-CD1 4.23Å; Y906-L922 HydrophobicContact CE2-CB 4.26Å; Y906-L922 HydrophobicContact CE2-CD1 4.37Å; Y906-L922 HydrophobicContact CE2-CD2 4.16Å; Y906-L922 HydrophobicContact CE2-CG 4.46Å; Y906-L922 WeakPolarHBondContact OH-CD1 3.4Å; Y906-R929 HydrophobicContact CD1-CB 4.15Å; Y906-R929 HydrophobicContact CE1-CB 3.82Å; Y906-R929 HydrophobicContact CE1-CG 4.22Å; Y906-R929 HydrophobicContact CG-CB 4.44Å; Y906-R929 PolarHBondContact OH-NH1 2.9Å |
| 907 | S | 79.7 | Confident | 77.1 | Confident | 37 Ų | 37 | 52.6 Ų | 52.6 | 26% | 0.259 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 133.4 | 170 | 59.6 | 0 | 0 | 0 | 0 | 109.9 | C879 | C879-S907 VanDerWaalsContact O-CA 3.3Å; C879-S907 WeakPolarHBondContact O-CA 3.28Å; C879-S907 WeakPolarHBondContact O-CB 3Å |
| 908 | F | 78.8 | Confident | 76.2 | Confident | 12.25 Ų | 12.25 | 55.6 Ų | 55.6 | 5% | 0.054 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 159.2 | 177.8 | 60.3 | -89.4 | 0 | 0 | 0 | 111.1 | W789 F870 A878 C879 L881 Y906 I910 L917 L922 E925 | W789-F908 HydrophobicContact CH2-CZ 4.43Å; W789-F908 HydrophobicContact CZ2-CE2 4.35Å; W789-F908 HydrophobicContact CZ2-CZ 4.47Å; F870-F908 HydrophobicContact CD1-CZ 4.43Å; A878-F908 WeakPolarHBondContact CA-O 3.38Å; C879-F908 HydrophobicContact CB-CD1 4.32Å; C879-F908 HydrophobicContact CB-CD2 4.28Å; C879-F908 HydrophobicContact CB-CE1 3.9Å; C879-F908 HydrophobicContact CB-CE2 3.8Å; C879-F908 HydrophobicContact CB-CG 4.41Å; C879-F908 HydrophobicContact CB-CZ 3.59Å; C879-F908 PolarHBondContact N-O 3.16Å; C879-F908 PolarHBondContact O-N 3.16Å; C879-F908 VanDerWaalsContact O-N 3.15Å; L881-F908 HydrophobicContact CB-CE1 3.89Å; L881-F908 HydrophobicContact CD2-CE1 4.41Å; Y906-F908 HydrophobicContact CD2-CD1 4.3Å; Y906-F908 HydrophobicContact CE2-CD1 4.23Å; F908-I910 HydrophobicContact CD2-CG1 4.24Å; F908-I910 HydrophobicContact CE2-CD1 4.5Å; F908-I910 HydrophobicContact CE2-CG1 3.91Å; F908-L917 HydrophobicContact CE2-CD1 4.24Å; F908-L917 HydrophobicContact CE2-CD2 3.93Å; F908-L917 HydrophobicContact CZ-CD2 3.67Å; F908-L922 HydrophobicContact CB-CD2 4.48Å; F908-L922 HydrophobicContact CD1-CD2 3.76Å; F908-L922 HydrophobicContact CD2-CD2 4.25Å; F908-L922 HydrophobicContact CE1-CD2 3.94Å; F908-L922 HydrophobicContact CE2-CD2 4.28Å; F908-L922 HydrophobicContact CG-CD2 3.99Å; F908-L922 HydrophobicContact CZ-CD2 4.2Å; F908-E925 WeakPolarHBondContact CB-OE2 3.31Å |
| 909 | S | 75.1 | Confident | 75.1 | Confident | 62.75 Ų | 62.75 | 53.5 Ų | 53.5 | 44% | 0.439 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 139.5 | 175.9 | 55.7 | 0 | 0 | 0 | 0 | 111.3 | E877 T911 | E877-S909 CarbonylContact O-C 3.39Å; E877-S909 VanDerWaalsContact O-CA 3.27Å; E877-S909 WeakPolarHBondContact O-CA 3.36Å; S909-T911 PolarHBondContact O-N 2.93Å |
| 910 | I | 73 | Confident | 73.7 | Confident | 13.25 Ų | 13.25 | 53.2 Ų | 53.2 | 7% | 0.068 | 30% | 0.302 | C | S | . | . | trans | -102.1 | 120.1 | 173.3 | -55.1 | 167.3 | 0 | 0 | 0 | 107.4 | W789 P872 F874 E877 C879 F908 T912 | W789-I910 HydrophobicContact CH2-CD1 3.9Å; W789-I910 HydrophobicContact CH2-CG1 4.29Å; W789-I910 HydrophobicContact CZ2-CD1 3.98Å; W789-I910 HydrophobicContact CZ2-CG1 4.07Å; W789-I910 HydrophobicContact CZ2-CG2 4.31Å; W789-I910 HydrophobicContact CZ3-CD1 4.45Å; P872-I910 HydrophobicContact CB-CD1 4.09Å; F874-I910 HydrophobicContact CD1-CD1 4.15Å; F874-I910 HydrophobicContact CE1-CD1 4.17Å; F874-I910 HydrophobicContact CE1-CG2 4.28Å; E877-I910 WeakPolarHBondContact CA-O 3.36Å; E877-I910 WeakPolarHBondContact CB-O 3.43Å; E877-I910 WeakPolarHBondContact CG-O 3.13Å; E877-I910 PolarHBondContact O-N 3.05Å; C879-I910 HydrophobicContact CB-CD1 3.73Å; C879-I910 VanDerWaalsContact CB-CD1 3.44Å; C879-I910 HydrophobicContact CB-CG1 3.96Å; F908-I910 HydrophobicContact CD2-CG1 4.24Å; F908-I910 HydrophobicContact CE2-CD1 4.5Å; F908-I910 HydrophobicContact CE2-CG1 3.91Å; I910-T912 VanDerWaalsContact CG2-O 3.32Å; I910-T912 WeakPolarHBondContact CG2-O 3.46Å | ||
| 911 | T | 65 | Low | 72.4 | Confident | 104.25 Ų | 104.25 | 58.7 Ų | 58.7 | 64% | 0.64 | 33% | 0.329 | S | S | * | . | trans | -83.6 | -36.1 | 177.3 | 44.3 | 0 | 0 | 0 | 0 | 111.8 | S909 S913 | S909-T911 PolarHBondContact O-N 2.93Å; T911-S913 PolarHBondContact O-N 3.45Å | ||
| 912 | T | 58.9 | Low | 71 | Confident | 75 Ų | 75 | 54.8 Ų | 54.8 | 46% | 0.46 | 31% | 0.311 | S | S | . | . | trans | -128.9 | 136.1 | -178.5 | 51.8 | 0 | 0 | 0 | 0 | 112.4 | I910 T914 E915 | I910-T912 VanDerWaalsContact CG2-O 3.32Å; I910-T912 WeakPolarHBondContact CG2-O 3.46Å; T912-T914 PolarHBondContact O-N 3.26Å; T912-T914 PolarHBondContact OG1-OG1 3.31Å; T912-E915 WeakPolarHBondContact OG1-CG 2.95Å | ||
| 913 | S | 58.7 | Low | 69.5 | Low | 78.25 Ų | 78.25 | 58.9 Ų | 58.9 | 55% | 0.547 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -82.4 | -3.5 | -179.5 | 59.5 | 0 | 0 | 0 | 0 | 114.5 | W789 T911 | W789-S913 WeakPolarHBondContact CB-O 3.09Å; T911-S913 PolarHBondContact O-N 3.45Å |
| 914 | T | 55 | Low | 67.6 | Low | 103.5 Ų | 103.5 | 66.2 Ų | 66.2 | 64% | 0.635 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -109.6 | -5.4 | -172.2 | 50.4 | 0 | 0 | 0 | 0 | 113.3 | T912 D916 | T912-T914 PolarHBondContact O-N 3.26Å; T912-T914 PolarHBondContact OG1-OG1 3.31Å; T914-D916 PolarHBondContact O-N 3.31Å |
| 915 | E | 60.9 | Low | 66 | Low | 133.25 Ų | 133.25 | 70.7 Ų | 70.7 | 62% | 0.623 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -79.5 | 126.4 | -179.9 | -68.5 | -175.9 | 177.4 | 0 | 0 | 112.2 | W789 T912 L917 | W789-E915 PolarHBondContact N-O 2.96Å; T912-E915 WeakPolarHBondContact OG1-CG 2.95Å; E915-L917 PolarHBondContact O-N 2.89Å |
| 916 | D | 66.6 | Low | 64.7 | Low | 61.75 Ų | 61.75 | 75.1 Ų | 75.1 | 33% | 0.33 | 40% | 0.396 | S | S | . | . | trans | -79.4 | 125.6 | 176.5 | -70 | -19.2 | 0 | 0 | 0 | 110.5 | K783 K788 T914 K918 | K783-D916 IonicContact NZ-OD2 2.75Å; K783-D916 PolarHBondContact NZ-OD2 2.76Å; K788-D916 WeakPolarHBondContact CB-OD1 3.5Å; K788-D916 VanDerWaalsContact CE-OD2 3.29Å; K788-D916 WeakPolarHBondContact CE-OD2 3.24Å; K788-D916 VanDerWaalsContact CG-OD1 3.27Å; K788-D916 WeakPolarHBondContact CG-OD1 3.34Å; T914-D916 PolarHBondContact O-N 3.31Å; D916-K918 PolarHBondContact O-N 3.33Å | ||
| 917 | L | 68.9 | Low | 63.7 | Low | 29.25 Ų | 29.25 | 81.9 Ų | 81.9 | 15% | 0.153 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 111.5 | 178.8 | -173.5 | 75.3 | 0 | 0 | 0 | 110.2 | T786 H787 W789 F870 F908 E915 M919 L922 | T786-L917 CarbonylContact C-O 3.47Å; T786-L917 VanDerWaalsContact CA-O 3.3Å; T786-L917 WeakPolarHBondContact CA-O 3.36Å; H787-L917 HydrophobicContact CB-CB 4.41Å; H787-L917 PolarHBondContact N-O 2.83Å; H787-L917 PolarHBondContact O-N 3.01Å; W789-L917 HydrophobicContact CZ2-CD2 4.29Å; F870-L917 HydrophobicContact CE1-CD2 4Å; F908-L917 HydrophobicContact CE2-CD1 4.24Å; F908-L917 HydrophobicContact CE2-CD2 3.93Å; F908-L917 HydrophobicContact CZ-CD2 3.67Å; E915-L917 PolarHBondContact O-N 2.89Å; L917-M919 HydrophobicContact CD2-CE 3.86Å; L917-M919 HydrophobicContact CG-CE 4.16Å; L917-M919 PolarHBondContact O-N 3.14Å; L917-L922 HydrophobicContact CD1-CD2 4.49Å; L917-L922 HydrophobicContact CD2-CD1 4.09Å; L917-L922 HydrophobicContact CD2-CD2 4.41Å; L917-L922 HydrophobicContact CD2-CG 4.49Å |
| 918 | K | 69.3 | Low | 63.2 | Low | 119.75 Ų | 119.75 | 83.2 Ų | 83.2 | 52% | 0.521 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 121.4 | 170.9 | -78.2 | 179.7 | -179.6 | 177.5 | 0 | 110.4 | T786 D916 S920 M921 | T786-K918 HydrophobicContact CG2-CG 3.73Å; D916-K918 PolarHBondContact O-N 3.33Å; K918-S920 PolarHBondContact O-N 3.01Å; K918-S920 VanDerWaalsContact O-N 3.08Å; K918-M921 HydrophobicContact CB-CG 4Å; K918-M921 HydrophobicContact CB-SD 4.46Å; K918-M921 WeakPolarHBondContact O-CB 3.32Å; K918-M921 PolarHBondContact O-N 3.16Å; K918-M921 VanDerWaalsContact O-N 3.09Å |
| 919 | M | 65.3 | Low | 63.2 | Low | 23.5 Ų | 23.5 | 85.9 Ų | 85.9 | 12% | 0.116 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -20.1 | -179.2 | -105.5 | -0.6 | -31.4 | 0 | 0 | 113.8 | A785 H787 F870 L881 L917 M921 L922 | A785-M919 WeakPolarHBondContact O-CB 3.08Å; A785-M919 WeakPolarHBondContact O-CG 3.46Å; A785-M919 PolarHBondContact O-N 3.16Å; H787-M919 HydrophobicContact CB-CE 4.26Å; F870-M919 HydrophobicContact CE1-CE 4.44Å; F870-M919 HydrophobicContact CZ-CE 4.09Å; F870-M919 HydrophobicContact CZ-SD 4.16Å; L881-M919 HydrophobicContact CD2-CE 4.43Å; L881-M919 HydrophobicContact CD2-SD 4.45Å; L917-M919 HydrophobicContact CD2-CE 3.86Å; L917-M919 HydrophobicContact CG-CE 4.16Å; L917-M919 PolarHBondContact O-N 3.14Å; M919-M921 VanDerWaalsContact C-N 3.32Å; M919-L922 HydrophobicContact CE-CD1 3.79Å; M919-L922 VanDerWaalsContact CE-CD1 3.42Å; M919-L922 HydrophobicContact CE-CG 4.39Å; M919-L922 HydrophobicContact CG-CD1 4.36Å; M919-L922 PolarHBondContact O-N 3.21Å; M919-L922 HydrophobicContact SD-CD1 3.6Å; M919-L922 WeakPolarHBondContact SD-CD1 3.19Å |
| 920 | S | 61 | Low | 63.8 | Low | 69.75 Ų | 69.75 | 83.6 Ų | 83.6 | 49% | 0.488 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -32.4 | 172.8 | 57 | 0 | 0 | 0 | 0 | 113 | K918 L922 Q923 | K918-S920 PolarHBondContact O-N 3.01Å; K918-S920 VanDerWaalsContact O-N 3.08Å; S920-L922 PolarHBondContact O-N 3.14Å; S920-Q923 WeakPolarHBondContact O-CB 3.36Å; S920-Q923 PolarHBondContact O-N 3.16Å; S920-Q923 VanDerWaalsContact O-N 3.11Å |
| 921 | M | 61.1 | Low | 64.7 | Low | 123.5 Ų | 123.5 | 85.1 Ų | 85.1 | 61% | 0.608 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -66.1 | -28.3 | -179.8 | -63.9 | -90.7 | -140.1 | 0 | 0 | 111.9 | K918 M919 Q923 E924 | K918-M921 HydrophobicContact CB-CG 4Å; K918-M921 HydrophobicContact CB-SD 4.46Å; K918-M921 WeakPolarHBondContact O-CB 3.32Å; K918-M921 PolarHBondContact O-N 3.16Å; K918-M921 VanDerWaalsContact O-N 3.09Å; M919-M921 VanDerWaalsContact C-N 3.32Å; M921-Q923 PolarHBondContact O-N 2.9Å; M921-E924 PolarHBondContact O-N 3.38Å |
| 922 | L | 60.7 | Low | 65.8 | Low | 12 Ų | 12 | 82.3 Ų | 82.3 | 6% | 0.063 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -71 | -10.6 | 176.7 | -66.5 | 167.4 | 0 | 0 | 0 | 113.3 | L881 Y906 F908 L917 M919 S920 E924 | L881-L922 HydrophobicContact CD2-CD1 3.85Å; Y906-L922 HydrophobicContact CE2-CB 4.26Å; Y906-L922 HydrophobicContact CE2-CD1 4.37Å; Y906-L922 HydrophobicContact CE2-CD2 4.16Å; Y906-L922 HydrophobicContact CE2-CG 4.46Å; Y906-L922 WeakPolarHBondContact OH-CD1 3.4Å; F908-L922 HydrophobicContact CB-CD2 4.48Å; F908-L922 HydrophobicContact CD1-CD2 3.76Å; F908-L922 HydrophobicContact CD2-CD2 4.25Å; F908-L922 HydrophobicContact CE1-CD2 3.94Å; F908-L922 HydrophobicContact CE2-CD2 4.28Å; F908-L922 HydrophobicContact CG-CD2 3.99Å; F908-L922 HydrophobicContact CZ-CD2 4.2Å; L917-L922 HydrophobicContact CD1-CD2 4.49Å; L917-L922 HydrophobicContact CD2-CD1 4.09Å; L917-L922 HydrophobicContact CD2-CD2 4.41Å; L917-L922 HydrophobicContact CD2-CG 4.49Å; M919-L922 HydrophobicContact CE-CD1 3.79Å; M919-L922 VanDerWaalsContact CE-CD1 3.42Å; M919-L922 HydrophobicContact CE-CG 4.39Å; M919-L922 HydrophobicContact CG-CD1 4.36Å; M919-L922 PolarHBondContact O-N 3.21Å; M919-L922 HydrophobicContact SD-CD1 3.6Å; M919-L922 WeakPolarHBondContact SD-CD1 3.19Å; S920-L922 PolarHBondContact O-N 3.14Å; L922-E924 VanDerWaalsContact C-N 3.34Å |
| 923 | Q | 56.6 | Low | 67.1 | Low | 119.25 Ų | 119.25 | 81.4 Ų | 81.4 | 56% | 0.557 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -72.7 | -28.5 | 177.8 | -69.1 | -171.8 | -12.6 | 0 | 0 | 112.8 | S920 M921 R926 | S920-Q923 WeakPolarHBondContact O-CB 3.36Å; S920-Q923 PolarHBondContact O-N 3.16Å; S920-Q923 VanDerWaalsContact O-N 3.11Å; M921-Q923 PolarHBondContact O-N 2.9Å; Q923-R926 WeakPolarHBondContact O-CB 3.42Å; Q923-R926 WeakPolarHBondContact O-CD 3.45Å; Q923-R926 VanDerWaalsContact O-CG 3.29Å; Q923-R926 WeakPolarHBondContact O-CG 3.4Å; Q923-R926 PolarHBondContact O-N 3.44Å; Q923-R926 PolarHBondContact O-NE 2.98Å |
| 924 | E | 50.2 | Low | 68.5 | Low | 169.5 Ų | 169.5 | 78.1 Ų | 78.1 | 79% | 0.792 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -77.3 | -29.5 | -178.4 | -70.4 | -179.8 | 171.4 | 0 | 0 | 112.4 | M921 L922 R926 | M921-E924 PolarHBondContact O-N 3.38Å; L922-E924 VanDerWaalsContact C-N 3.34Å; E924-R926 VanDerWaalsContact C-N 3.27Å; E924-R926 PolarHBondContact O-N 3.16Å; E924-R926 VanDerWaalsContact O-N 3.09Å |
| 925 | E | 55.1 | Low | 70.2 | Confident | 101.25 Ų | 101.25 | 73.9 Ų | 73.9 | 47% | 0.473 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -83.2 | 15.5 | -179.8 | -66.8 | -171 | 149 | 0 | 0 | 114.5 | F908 L927 N928 | F908-E925 WeakPolarHBondContact CB-OE2 3.31Å; E925-L927 PolarHBondContact O-N 3.19Å; E925-L927 VanDerWaalsContact O-N 3.08Å; E925-N928 PolarHBondContact O-N 3.41Å |
| 926 | R | 57.4 | Low | 71.6 | Confident | 110.75 Ų | 110.75 | 68.9 Ų | 68.9 | 42% | 0.418 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -62.7 | -8.3 | -173.8 | -84.4 | 178.9 | 173.4 | 178.5 | -1.8 | 116.3 | E904 Q923 E924 N928 R929 | E904-R926 IonicContact OE1-NH2 3.95Å; E904-R926 IonicContact OE2-NH2 2.83Å; Q923-R926 WeakPolarHBondContact O-CB 3.42Å; Q923-R926 WeakPolarHBondContact O-CD 3.45Å; Q923-R926 VanDerWaalsContact O-CG 3.29Å; Q923-R926 WeakPolarHBondContact O-CG 3.4Å; Q923-R926 PolarHBondContact O-N 3.44Å; Q923-R926 PolarHBondContact O-NE 2.98Å; E924-R926 VanDerWaalsContact C-N 3.27Å; E924-R926 PolarHBondContact O-N 3.16Å; E924-R926 VanDerWaalsContact O-N 3.09Å; R926-N928 VanDerWaalsContact C-N 3.31Å; R926-N928 PolarHBondContact O-N 2.95Å; R926-N928 VanDerWaalsContact O-N 3.15Å; R926-R929 WeakPolarHBondContact O-CG 3.37Å; R926-R929 PolarHBondContact O-N 2.88Å |
| 927 | L | 59.8 | Low | 72.7 | Confident | 160 Ų | 160 | 68.5 Ų | 68.5 | 84% | 0.838 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -61.3 | -27.7 | -174.7 | -82.7 | 145.1 | 0 | 0 | 0 | 113.9 | E925 | E925-L927 PolarHBondContact O-N 3.19Å; E925-L927 VanDerWaalsContact O-N 3.08Å |
| 928 | N | 70.2 | Confident | 73.7 | Confident | 64 Ų | 64 | 68.3 Ų | 68.3 | 34% | 0.342 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -123.8 | 41.7 | -173.8 | -64 | -38.9 | 0 | 0 | 0 | 113.6 | E925 R926 Y958 R1021 | E925-N928 PolarHBondContact O-N 3.41Å; R926-N928 VanDerWaalsContact C-N 3.31Å; R926-N928 PolarHBondContact O-N 2.95Å; R926-N928 VanDerWaalsContact O-N 3.15Å; N928-Y958 HydrophobicContact CB-CD1 4.14Å; N928-Y958 HydrophobicContact CB-CD2 4.44Å; N928-Y958 HydrophobicContact CB-CE1 3.82Å; N928-Y958 HydrophobicContact CB-CE2 4.12Å; N928-Y958 HydrophobicContact CB-CG 4.44Å; N928-Y958 VanDerWaalsContact CG-OH 3.26Å; N928-Y958 PolarHBondContact ND2-OH 3.27Å; N928-Y958 WeakPolarHBondContact O-CD1 3.3Å; N928-Y958 WeakPolarHBondContact OD1-CE2 3.25Å; N928-Y958 VanDerWaalsContact OD1-CZ 3.24Å; N928-Y958 PolarHBondContact OD1-OH 3.41Å; N928-Y958 VanDerWaalsContact OD1-OH 3.1Å; N928-R1021 PolarHBondContact ND2-NH1 2.72Å; N928-R1021 PolarHBondContact OD1-NH1 3.03Å |
| 929 | R | 79.6 | Confident | 74.6 | Confident | 68.5 Ų | 68.5 | 63.7 Ų | 63.7 | 26% | 0.258 | 32% | 0.319 | S | S | . | . | trans | -93 | 140 | 179.2 | 71.3 | -180 | -178.9 | 175.5 | -1.6 | 112.7 | E904 Y906 R926 Y931 | E904-R929 IonicContact OE1-CZ 3.36Å; E904-R929 VanDerWaalsContact OE1-CZ 3.29Å; E904-R929 IonicContact OE1-NE 3.16Å; E904-R929 IonicContact OE1-NH1 3.75Å; E904-R929 PolarHBondContact OE1-NH1 2.86Å; Y906-R929 HydrophobicContact CD1-CB 4.15Å; Y906-R929 HydrophobicContact CE1-CB 3.82Å; Y906-R929 HydrophobicContact CE1-CG 4.22Å; Y906-R929 HydrophobicContact CG-CB 4.44Å; Y906-R929 PolarHBondContact OH-NH1 2.9Å; R926-R929 WeakPolarHBondContact O-CG 3.37Å; R926-R929 PolarHBondContact O-N 2.88Å; R929-Y931 HydrophobicContact CG-CD1 4.12Å | ||
| 930 | S | 87.6 | Confident | 75.6 | Confident | 14.5 Ų | 14.5 | 66.5 Ų | 66.5 | 10% | 0.101 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 133.1 | 161.4 | -57.8 | 0 | 0 | 0 | 0 | 108.8 | E904 C905 V956 Y958 | E904-S930 CarbonylContact C-O 3.56Å; E904-S930 VanDerWaalsContact CA-O 3.3Å; E904-S930 WeakPolarHBondContact CA-O 3.34Å; C905-S930 PolarHBondContact N-O 2.81Å; C905-S930 WeakPolarHBondContact O-CB 3.28Å; C905-S930 PolarHBondContact O-N 3.02Å; S930-V956 CarbonylContact C-O 3.48Å; S930-V956 VanDerWaalsContact CA-O 3.24Å; S930-V956 WeakPolarHBondContact CA-O 3.29Å; S930-Y958 WeakPolarHBondContact OG-CA 3.34Å; S930-Y958 WeakPolarHBondContact OG-CB 3.42Å; S930-Y958 PolarHBondContact OG-N 3.35Å; S930-Y958 PolarHBondContact OG-O 3.17Å |
| 931 | Y | 89.9 | Confident | 76.5 | Confident | 45.25 Ų | 45.25 | 71.1 Ų | 71.1 | 18% | 0.177 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 150 | 174.7 | 70.8 | -87.2 | 0 | 0 | 0 | 112.8 | L902 A903 R929 E933 S954 S955 V956 | L902-Y931 HydrophobicContact CD1-CD2 4.2Å; A903-Y931 CarbonylContact O-C 3.54Å; A903-Y931 WeakPolarHBondContact O-CA 3.33Å; R929-Y931 HydrophobicContact CG-CD1 4.12Å; Y931-E933 HydrophobicContact CD2-CG 4.1Å; Y931-E933 HydrophobicContact CE2-CG 4.31Å; Y931-S954 WeakPolarHBondContact CE2-OG 3.26Å; Y931-S955 WeakPolarHBondContact O-CA 3.43Å; Y931-V956 HydrophobicContact CD1-CB 3.92Å; Y931-V956 HydrophobicContact CD1-CG2 4.27Å; Y931-V956 HydrophobicContact CE1-CB 3.56Å; Y931-V956 HydrophobicContact CE1-CG1 4.44Å; Y931-V956 HydrophobicContact CE1-CG2 3.44Å; Y931-V956 VanDerWaalsContact CE1-CG2 3.42Å; Y931-V956 HydrophobicContact CE2-CG2 4.35Å; Y931-V956 VanDerWaalsContact CZ-CG2 3.47Å; Y931-V956 PolarHBondContact N-O 3.35Å; Y931-V956 PolarHBondContact O-N 3.23Å; Y931-V956 VanDerWaalsContact O-O 3.12Å; Y931-V956 WeakPolarHBondContact OH-CG2 3.22Å |
| 932 | I | 88.1 | Confident | 77.1 | Confident | 46.25 Ų | 46.25 | 68.8 Ų | 68.8 | 24% | 0.237 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 122.5 | 176 | -49.1 | 178.2 | 0 | 0 | 0 | 108.2 | A903 V935 V951 L957 | A903-I932 PolarHBondContact N-O 3.16Å; A903-I932 PolarHBondContact O-N 3.06Å; I932-V935 HydrophobicContact CB-CG2 3.98Å; I932-V935 HydrophobicContact CG2-CG2 3.29Å; I932-V951 HydrophobicContact CG2-CB 4.48Å; I932-V951 HydrophobicContact CG2-CG1 3.63Å; I932-V951 HydrophobicContact CG2-CG2 3.99Å; I932-L957 HydrophobicContact CD1-CD2 4.21Å; I932-L957 HydrophobicContact CG1-CD2 4.32Å |
| 933 | E | 87.8 | Confident | 77.9 | Confident | 55.25 Ų | 55.25 | 75.4 Ų | 75.4 | 26% | 0.258 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 140.3 | -179.7 | -70.3 | 179.3 | 171 | 0 | 0 | 112.7 | E901 L902 Y931 V951 K953 S954 | E901-E933 CarbonylContact O-C 3.53Å; E901-E933 WeakPolarHBondContact O-CA 3.39Å; L902-E933 HydrophobicContact CB-CG 4.48Å; L902-E933 HydrophobicContact CD1-CG 3.64Å; Y931-E933 HydrophobicContact CD2-CG 4.1Å; Y931-E933 HydrophobicContact CE2-CG 4.31Å; E933-V951 WeakPolarHBondContact O-CG1 3.21Å; E933-K953 HydrophobicContact CB-CB 3.41Å; E933-K953 VanDerWaalsContact CB-CB 3.42Å; E933-K953 HydrophobicContact CB-CD 4.1Å; E933-K953 HydrophobicContact CB-CG 4.4Å; E933-K953 HydrophobicContact CG-CB 4.48Å; E933-K953 PolarHBondContact O-N 2.94Å; E933-K953 WeakPolarHBondContact OE2-CB 3.41Å; E933-K953 WeakPolarHBondContact OE2-CD 3.37Å; E933-S954 WeakPolarHBondContact CB-O 3.38Å; E933-S954 PolarHBondContact N-O 2.91Å; E933-S954 VanDerWaalsContact N-O 3.08Å; E933-S954 PolarHBondContact OE2-N 3.13Å; E933-S954 PolarHBondContact OE2-OG 3.19Å |
| 934 | A | 88.5 | Confident | 78.9 | Confident | 10 Ų | 10 | 73.2 Ų | 73.2 | 8% | 0.083 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 52 | 62.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | F899 I900 E901 K952 K953 | F899-A934 HydrophobicContact CE2-CB 4.47Å; I900-A934 CarbonylContact O-C 3.49Å; I900-A934 WeakPolarHBondContact O-CA 3.33Å; E901-A934 PolarHBondContact O-N 3.03Å; A934-K952 HydrophobicContact CB-CB 3.99Å; A934-K952 PolarHBondContact O-N 3.21Å; A934-K952 VanDerWaalsContact O-N 3.11Å; A934-K953 HydrophobicContact CB-CB 4.27Å; A934-K953 HydrophobicContact CB-CD 4.24Å; A934-K953 HydrophobicContact CB-CG 4.1Å |
| 935 | V | 89.7 | Confident | 80.3 | Confident | 13.75 Ų | 13.75 | 69.4 Ų | 69.4 | 8% | 0.083 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 125.1 | 175.8 | -175.4 | 0 | 0 | 0 | 0 | 109.6 | F899 I900 I932 I937 V949 V951 | F899-V935 CarbonylContact C-O 3.48Å; F899-V935 VanDerWaalsContact CA-O 3.3Å; F899-V935 WeakPolarHBondContact CA-O 3.43Å; F899-V935 WeakPolarHBondContact CD2-O 3.32Å; I900-V935 HydrophobicContact CB-CB 4.44Å; I900-V935 PolarHBondContact N-O 3.08Å; I900-V935 PolarHBondContact O-N 3.09Å; I932-V935 HydrophobicContact CB-CG2 3.98Å; I932-V935 HydrophobicContact CG2-CG2 3.29Å; V935-I937 HydrophobicContact CG1-CD1 4.43Å; V935-I937 HydrophobicContact CG1-CG1 4.04Å; V935-V949 HydrophobicContact CG1-CG1 4.16Å; V935-V951 HydrophobicContact CG2-CG2 4.4Å |
| 936 | S | 90.2 | Very high | 81.8 | Confident | 29.75 Ų | 29.75 | 65.3 Ų | 65.3 | 21% | 0.208 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 124.6 | 168.4 | 76.5 | 0 | 0 | 0 | 0 | 110.6 | F898 V949 S950 | F898-S936 CarbonylContact O-C 3.52Å; F898-S936 WeakPolarHBondContact O-CA 3.27Å; S936-V949 CarbonylContact O-C 3.49Å; S936-V949 VanDerWaalsContact O-CA 3.27Å; S936-V949 WeakPolarHBondContact O-CA 3.38Å; S936-S950 PolarHBondContact N-O 3.1Å; S936-S950 PolarHBondContact O-N 3.21Å; S936-S950 PolarHBondContact OG-O 2.93Å; S936-S950 PolarHBondContact OG-OG 3.29Å |
| 937 | I | 90.2 | Very high | 83.3 | Confident | 52 Ų | 52 | 61.6 Ų | 61.6 | 27% | 0.267 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 126.1 | 176.3 | -51.1 | -175.5 | 0 | 0 | 0 | 107.2 | T897 F898 V935 V947 K948 V949 | T897-I937 CarbonylContact C-O 3.53Å; T897-I937 WeakPolarHBondContact CA-O 3.38Å; F898-I937 HydrophobicContact CB-CB 4.21Å; F898-I937 HydrophobicContact CD1-CB 4.37Å; F898-I937 HydrophobicContact CD1-CD1 3.81Å; F898-I937 HydrophobicContact CD1-CG1 4.13Å; F898-I937 HydrophobicContact CE1-CD1 4.35Å; F898-I937 PolarHBondContact N-O 3.09Å; F898-I937 PolarHBondContact O-N 2.87Å; V935-I937 HydrophobicContact CG1-CD1 4.43Å; V935-I937 HydrophobicContact CG1-CG1 4.04Å; I937-V947 HydrophobicContact CG2-CG1 4.37Å; I937-K948 CarbonylContact C-O 3.53Å; I937-K948 WeakPolarHBondContact CA-O 3.36Å; I937-V949 HydrophobicContact CD1-CG2 4.45Å; I937-V949 HydrophobicContact CG1-CG1 4.21Å; I937-V949 HydrophobicContact CG1-CG2 4.11Å; I937-V949 HydrophobicContact CG2-CG2 4.17Å |
| 938 | S | 89.4 | Confident | 84.8 | Confident | 25.5 Ų | 25.5 | 58.5 Ų | 58.5 | 18% | 0.178 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 130.3 | 173.2 | 51.1 | 0 | 0 | 0 | 0 | 108.9 | S896 W940 V947 K948 | S896-S938 CarbonylContact O-C 3.52Å; S896-S938 WeakPolarHBondContact O-CA 3.38Å; S938-W940 WeakPolarHBondContact OG-CZ3 3.42Å; S938-V947 CarbonylContact O-C 3.48Å; S938-V947 WeakPolarHBondContact O-CA 3.5Å; S938-K948 PolarHBondContact N-O 3.21Å; S938-K948 PolarHBondContact O-N 3.03Å; S938-K948 PolarHBondContact OG-O 3.16Å |
| 939 | C | 87.6 | Confident | 85.8 | Confident | 22.5 Ų | 22.5 | 56.7 Ų | 56.7 | 15% | 0.152 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 125.4 | 178 | -108.7 | 0 | 0 | 0 | 0 | 109.4 | S896 W945 N946 V947 | S896-C939 PolarHBondContact N-O 2.99Å; S896-C939 PolarHBondContact O-N 2.75Å; S896-C939 VanDerWaalsContact OG-CB 3.3Å; S896-C939 WeakPolarHBondContact OG-CB 3.35Å; S896-C939 PolarHBondContact OG-O 3.03Å; C939-W945 HydrophobicContact CB-CE3 4.26Å; C939-W945 HydrophobicContact CB-CZ3 4.07Å; C939-N946 VanDerWaalsContact CA-O 3.24Å; C939-N946 WeakPolarHBondContact CA-O 3.42Å; C939-N946 PolarHBondContact SG-O 3.21Å; C939-N946 VanDerWaalsContact SG-O 3.33Å; C939-V947 HydrophobicContact CB-CG2 4.36Å; C939-V947 VanDerWaalsContact SG-CG2 3.59Å |
| 940 | W | 87.8 | Confident | 86.3 | Confident | 84.25 Ų | 84.25 | 54.2 Ų | 54.2 | 32% | 0.319 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 161.1 | 179 | 67.5 | 99.2 | 0 | 0 | 0 | 110 | E894 L895 S938 N946 K948 | E894-W940 WeakPolarHBondContact O-CB 3.35Å; L895-W940 HydrophobicContact CD1-CB 3.96Å; L895-W940 HydrophobicContact CD1-CE3 4.43Å; S938-W940 WeakPolarHBondContact OG-CZ3 3.42Å; W940-N946 HydrophobicContact CD2-CB 3.8Å; W940-N946 VanDerWaalsContact CE2-CB 3.42Å; W940-N946 HydrophobicContact CE3-CB 4.27Å; W940-N946 HydrophobicContact CG-CB 4.31Å; W940-N946 HydrophobicContact CH2-CB 4.09Å; W940-N946 HydrophobicContact CZ2-CB 3.6Å; W940-N946 HydrophobicContact CZ3-CB 4.35Å; W940-N946 PolarHBondContact N-O 3.09Å; W940-N946 VanDerWaalsContact N-O 3.1Å; W940-N946 PolarHBondContact NE1-ND2 3.35Å; W940-N946 PolarHBondContact O-N 3.23Å; W940-K948 HydrophobicContact CH2-CB 3.89Å; W940-K948 HydrophobicContact CH2-CD 4.38Å; W940-K948 HydrophobicContact CZ3-CB 3.77Å |
| 941 | R | 78.6 | Confident | 86.4 | Confident | 164.75 Ų | 164.75 | 53.7 Ų | 53.7 | 62% | 0.622 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116 | 124.4 | -178.1 | -173.3 | 173.9 | 177.8 | 173.5 | -1.5 | 110.2 | ||
| 942 | T | 75.1 | Confident | 86.2 | Confident | 76.75 Ų | 76.75 | 57.8 Ų | 57.8 | 47% | 0.471 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -106.8 | -110.5 | 163.8 | 53.4 | 0 | 0 | 0 | 0 | 107.1 | Y944 N946 | T942-Y944 PolarHBondContact N-O 3.06Å; T942-Y944 VanDerWaalsContact N-O 3.13Å; T942-Y944 PolarHBondContact O-N 2.99Å; T942-Y944 PolarHBondContact OG1-O 3.35Å; T942-N946 PolarHBondContact OG1-ND2 3.28Å; T942-N946 VanDerWaalsContact OG1-ND2 3.08Å |
| 943 | D | 76.6 | Confident | 86.2 | Confident | 150.25 Ų | 150.25 | 60.8 Ų | 60.8 | 80% | 0.803 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -82 | -27.9 | 168.3 | -55.8 | -39.4 | 0 | 0 | 0 | 112.2 | ||
| 944 | Y | 78.4 | Confident | 86.1 | Confident | 72.5 Ų | 72.5 | 60 Ų | 60 | 28% | 0.284 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -133 | 168.9 | 177.7 | 52.4 | -93 | 0 | 0 | 0 | 110.6 | T942 N946 S1005 K1007 F1041 | T942-Y944 PolarHBondContact N-O 3.06Å; T942-Y944 VanDerWaalsContact N-O 3.13Å; T942-Y944 PolarHBondContact O-N 2.99Å; T942-Y944 PolarHBondContact OG1-O 3.35Å; Y944-N946 WeakPolarHBondContact CE2-ND2 3.41Å; Y944-N946 VanDerWaalsContact CE2-OD1 3.24Å; Y944-N946 WeakPolarHBondContact CE2-OD1 3.34Å; Y944-N946 PolarHBondContact O-N 3.03Å; Y944-N946 PolarHBondContact O-ND2 3.43Å; Y944-S1005 VanDerWaalsContact CB-O 3.25Å; Y944-S1005 WeakPolarHBondContact CB-O 3.39Å; Y944-K1007 HydrophobicContact CD2-CB 4.03Å; Y944-K1007 HydrophobicContact CE2-CB 3.6Å; Y944-K1007 HydrophobicContact CE2-CD 4.04Å; Y944-K1007 HydrophobicContact CE2-CG 4.37Å; Y944-F1041 AromaticContact CD1-CE1 3.89Å; Y944-F1041 HydrophobicContact CD1-CE1 4.15Å; Y944-F1041 AromaticContact CD1-CZ 3.92Å; Y944-F1041 HydrophobicContact CD1-CZ 4.14Å; Y944-F1041 HydrophobicContact CD2-CE1 4.28Å; Y944-F1041 HydrophobicContact CD2-CZ 4.38Å; Y944-F1041 HydrophobicContact CE1-CE1 4.31Å; Y944-F1041 AromaticContact CE1-CZ 3.85Å; Y944-F1041 HydrophobicContact CE1-CZ 3.95Å; Y944-F1041 HydrophobicContact CE2-CE1 4.35Å; Y944-F1041 HydrophobicContact CE2-CZ 4.24Å; Y944-F1041 AromaticContact CG-CE1 3.86Å; Y944-F1041 HydrophobicContact CG-CE1 4.09Å; Y944-F1041 HydrophobicContact CG-CZ 4.39Å; Y944-F1041 AromaticContact CZ-CZ 3.81Å |
| 945 | W | 79.3 | Confident | 86.2 | Confident | 89.75 Ų | 89.75 | 59.6 Ų | 59.6 | 34% | 0.34 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 122.7 | 176.2 | -79.6 | 93.6 | 0 | 0 | 0 | 110.7 | C939 F1002 S1005 S1006 K1007 | C939-W945 HydrophobicContact CB-CE3 4.26Å; C939-W945 HydrophobicContact CB-CZ3 4.07Å; W945-F1002 HydrophobicContact CB-CE2 4.29Å; W945-F1002 HydrophobicContact CB-CZ 4.09Å; W945-F1002 AromaticContact CD1-CE2 3.39Å; W945-F1002 AromaticContact CD1-CZ 3.8Å; W945-F1002 HydrophobicContact CD2-CE2 4.2Å; W945-F1002 AromaticContact CD2-CZ 3.96Å; W945-F1002 HydrophobicContact CD2-CZ 4.08Å; W945-F1002 AromaticContact CE2-CE2 3.99Å; W945-F1002 AromaticContact CG-CE2 3.7Å; W945-F1002 HydrophobicContact CG-CE2 3.7Å; W945-F1002 AromaticContact CG-CZ 3.68Å; W945-F1002 HydrophobicContact CG-CZ 3.84Å; W945-F1002 AromaticContact NE1-CE2 3.52Å; W945-F1002 AromaticContact NE1-CZ 3.62Å; W945-S1005 PolarHBondContact N-O 2.79Å; W945-S1006 WeakPolarHBondContact O-CA 3.26Å; W945-S1006 WeakPolarHBondContact O-CB 3.37Å; W945-K1007 PolarHBondContact O-N 3.02Å |
| 946 | N | 86.3 | Confident | 86.3 | Confident | 14.25 Ų | 14.25 | 59.6 Ų | 59.6 | 8% | 0.076 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 129.4 | 170.4 | -70.4 | -74.3 | 0 | 0 | 0 | 109 | C939 W940 T942 Y944 K1007 | C939-N946 VanDerWaalsContact CA-O 3.24Å; C939-N946 WeakPolarHBondContact CA-O 3.42Å; C939-N946 PolarHBondContact SG-O 3.21Å; C939-N946 VanDerWaalsContact SG-O 3.33Å; W940-N946 HydrophobicContact CD2-CB 3.8Å; W940-N946 VanDerWaalsContact CE2-CB 3.42Å; W940-N946 HydrophobicContact CE3-CB 4.27Å; W940-N946 HydrophobicContact CG-CB 4.31Å; W940-N946 HydrophobicContact CH2-CB 4.09Å; W940-N946 HydrophobicContact CZ2-CB 3.6Å; W940-N946 HydrophobicContact CZ3-CB 4.35Å; W940-N946 PolarHBondContact N-O 3.09Å; W940-N946 VanDerWaalsContact N-O 3.1Å; W940-N946 PolarHBondContact NE1-ND2 3.35Å; W940-N946 PolarHBondContact O-N 3.23Å; T942-N946 PolarHBondContact OG1-ND2 3.28Å; T942-N946 VanDerWaalsContact OG1-ND2 3.08Å; Y944-N946 WeakPolarHBondContact CE2-ND2 3.41Å; Y944-N946 VanDerWaalsContact CE2-OD1 3.24Å; Y944-N946 WeakPolarHBondContact CE2-OD1 3.34Å; Y944-N946 PolarHBondContact O-N 3.03Å; Y944-N946 PolarHBondContact O-ND2 3.43Å; N946-K1007 CarbonylContact C-O 3.58Å; N946-K1007 WeakPolarHBondContact CA-O 3.38Å |
| 947 | V | 88.2 | Confident | 86.3 | Confident | 33.5 Ų | 33.5 | 61.3 Ų | 61.3 | 20% | 0.203 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 115.5 | 174.6 | -178.8 | 0 | 0 | 0 | 0 | 107.9 | I937 S938 C939 V949 K1007 S1008 I1009 | I937-V947 HydrophobicContact CG2-CG1 4.37Å; S938-V947 CarbonylContact O-C 3.48Å; S938-V947 WeakPolarHBondContact O-CA 3.5Å; C939-V947 HydrophobicContact CB-CG2 4.36Å; C939-V947 VanDerWaalsContact SG-CG2 3.59Å; V947-V949 HydrophobicContact CG1-CG2 4.3Å; V947-K1007 PolarHBondContact N-O 3.07Å; V947-S1008 CarbonylContact O-C 3.49Å; V947-S1008 VanDerWaalsContact O-CA 3.25Å; V947-S1008 WeakPolarHBondContact O-CA 3.36Å; V947-I1009 PolarHBondContact O-N 3.29Å |
| 948 | K | 90.7 | Very high | 86.2 | Confident | 95.75 Ų | 95.75 | 60.2 Ų | 60.2 | 42% | 0.416 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 117.2 | 174.3 | -176.7 | -178.8 | 179.7 | -179.2 | 0 | 109.1 | I937 S938 W940 I1009 | I937-K948 CarbonylContact C-O 3.53Å; I937-K948 WeakPolarHBondContact CA-O 3.36Å; S938-K948 PolarHBondContact N-O 3.21Å; S938-K948 PolarHBondContact O-N 3.03Å; S938-K948 PolarHBondContact OG-O 3.16Å; W940-K948 HydrophobicContact CH2-CB 3.89Å; W940-K948 HydrophobicContact CH2-CD 4.38Å; W940-K948 HydrophobicContact CZ3-CB 3.77Å; K948-I1009 CarbonylContact C-O 3.55Å; K948-I1009 WeakPolarHBondContact CA-O 3.41Å |
| 949 | V | 91.3 | Very high | 86.3 | Confident | 25.75 Ų | 25.75 | 61.2 Ų | 61.2 | 16% | 0.156 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 126.4 | 171.2 | -177.9 | 0 | 0 | 0 | 0 | 107.2 | V935 S936 I937 V947 I1009 I1010 S1011 | V935-V949 HydrophobicContact CG1-CG1 4.16Å; S936-V949 CarbonylContact O-C 3.49Å; S936-V949 VanDerWaalsContact O-CA 3.27Å; S936-V949 WeakPolarHBondContact O-CA 3.38Å; I937-V949 HydrophobicContact CD1-CG2 4.45Å; I937-V949 HydrophobicContact CG1-CG1 4.21Å; I937-V949 HydrophobicContact CG1-CG2 4.11Å; I937-V949 HydrophobicContact CG2-CG2 4.17Å; V947-V949 HydrophobicContact CG1-CG2 4.3Å; V949-I1009 PolarHBondContact N-O 3.02Å; V949-I1010 HydrophobicContact CB-CB 4.34Å; V949-I1010 HydrophobicContact CB-CG1 4.09Å; V949-I1010 HydrophobicContact CB-CG2 4.14Å; V949-I1010 HydrophobicContact CG1-CG2 4.16Å; V949-I1010 HydrophobicContact CG2-CG1 4.3Å; V949-I1010 CarbonylContact O-C 3.53Å; V949-I1010 VanDerWaalsContact O-CA 3.26Å; V949-I1010 WeakPolarHBondContact O-CA 3.36Å; V949-S1011 PolarHBondContact O-N 2.97Å; V949-S1011 PolarHBondContact O-OG 2.88Å |
| 950 | S | 90.3 | Very high | 86.3 | Confident | 16.25 Ų | 16.25 | 60.5 Ų | 60.5 | 11% | 0.114 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 131.4 | 172.6 | 59.4 | 0 | 0 | 0 | 0 | 110.8 | S936 S1011 | S936-S950 PolarHBondContact N-O 3.1Å; S936-S950 PolarHBondContact O-N 3.21Å; S936-S950 PolarHBondContact OG-O 2.93Å; S936-S950 PolarHBondContact OG-OG 3.29Å; S950-S1011 CarbonylContact C-O 3.59Å; S950-S1011 VanDerWaalsContact CA-O 3.28Å; S950-S1011 WeakPolarHBondContact CA-O 3.33Å; S950-S1011 VanDerWaalsContact CB-OG 3.32Å; S950-S1011 WeakPolarHBondContact CB-OG 3.4Å |
| 951 | V | 90.5 | Very high | 86.3 | Confident | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.024 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 116.2 | 175.7 | -177.6 | 0 | 0 | 0 | 0 | 107 | I932 E933 V935 K953 S1011 F1012 N1013 | I932-V951 HydrophobicContact CG2-CB 4.48Å; I932-V951 HydrophobicContact CG2-CG1 3.63Å; I932-V951 HydrophobicContact CG2-CG2 3.99Å; E933-V951 WeakPolarHBondContact O-CG1 3.21Å; V935-V951 HydrophobicContact CG2-CG2 4.4Å; V951-K953 WeakPolarHBondContact CG1-O 3.34Å; V951-S1011 PolarHBondContact N-O 3.32Å; V951-F1012 HydrophobicContact CB-CD1 3.74Å; V951-F1012 HydrophobicContact CB-CE1 4.18Å; V951-F1012 HydrophobicContact CB-CG 4.46Å; V951-F1012 HydrophobicContact CG1-CD1 4.08Å; V951-F1012 HydrophobicContact CG1-CE1 4.45Å; V951-F1012 HydrophobicContact CG2-CD1 3.82Å; V951-F1012 HydrophobicContact CG2-CE1 3.74Å; V951-F1012 HydrophobicContact CG2-CZ 4.49Å; V951-N1013 PolarHBondContact O-N 2.99Å |
| 952 | K | 86.1 | Confident | 86.5 | Confident | 131 Ų | 131 | 50.3 Ų | 50.3 | 57% | 0.57 | 25% | 0.249 | S | C | * | . | trans | -93.2 | -22.5 | -172.2 | -66.7 | -174.4 | 177.8 | -176.7 | 0 | 114.1 | A934 | A934-K952 HydrophobicContact CB-CB 3.99Å; A934-K952 PolarHBondContact O-N 3.21Å; A934-K952 VanDerWaalsContact O-N 3.11Å | ||
| 953 | K | 88.3 | Confident | 86.9 | Confident | 109.75 Ų | 109.75 | 47 Ų | 47 | 48% | 0.477 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -125.8 | 179.5 | -176 | -73.7 | -173.2 | 179 | -177.7 | 0 | 110.3 | E933 A934 V951 S1014 | E933-K953 HydrophobicContact CB-CB 3.41Å; E933-K953 VanDerWaalsContact CB-CB 3.42Å; E933-K953 HydrophobicContact CB-CD 4.1Å; E933-K953 HydrophobicContact CB-CG 4.4Å; E933-K953 HydrophobicContact CG-CB 4.48Å; E933-K953 PolarHBondContact O-N 2.94Å; E933-K953 WeakPolarHBondContact OE2-CB 3.41Å; E933-K953 WeakPolarHBondContact OE2-CD 3.37Å; A934-K953 HydrophobicContact CB-CB 4.27Å; A934-K953 HydrophobicContact CB-CD 4.24Å; A934-K953 HydrophobicContact CB-CG 4.1Å; V951-K953 WeakPolarHBondContact CG1-O 3.34Å; K953-S1014 WeakPolarHBondContact CA-OG 3.23Å; K953-S1014 PolarHBondContact N-OG 2.59Å; K953-S1014 WeakPolarHBondContact O-CB 3.41Å; K953-S1014 PolarHBondContact O-OG 2.95Å |
| 954 | S | 86 | Confident | 87.4 | Confident | 38 Ų | 38 | 41.6 Ų | 41.6 | 27% | 0.266 | 20% | 0.198 | S | C | . | . | trans | -58.1 | 146.7 | -171.1 | 62.9 | 0 | 0 | 0 | 0 | 112.8 | Y931 E933 S1014 T1015 | Y931-S954 WeakPolarHBondContact CE2-OG 3.26Å; E933-S954 WeakPolarHBondContact CB-O 3.38Å; E933-S954 PolarHBondContact N-O 2.91Å; E933-S954 VanDerWaalsContact N-O 3.08Å; E933-S954 PolarHBondContact OE2-N 3.13Å; E933-S954 PolarHBondContact OE2-OG 3.19Å; S954-S1014 WeakPolarHBondContact CA-OG 3.45Å; S954-S1014 PolarHBondContact N-OG 3.04Å; S954-T1015 WeakPolarHBondContact CA-O 3.46Å | ||
| 955 | S | 89.5 | Confident | 87.8 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 128.4 | 177.7 | 56.5 | 0 | 0 | 0 | 0 | 110.5 | Y931 T1015 L1016 Q1017 | Y931-S955 WeakPolarHBondContact O-CA 3.43Å; S955-T1015 PolarHBondContact N-O 3.02Å; S955-T1015 VanDerWaalsContact N-O 3.12Å; S955-T1015 PolarHBondContact OG-O 3.26Å; S955-L1016 WeakPolarHBondContact O-CA 3.29Å; S955-L1016 WeakPolarHBondContact OG-CA 3.41Å; S955-L1016 VanDerWaalsContact OG-CD1 3.3Å; S955-L1016 WeakPolarHBondContact OG-CD1 3.37Å; S955-Q1017 PolarHBondContact O-N 2.99Å |
| 956 | V | 91.2 | Very high | 87.8 | Confident | 14.5 Ų | 14.5 | 35 Ų | 35 | 9% | 0.088 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 119.1 | 178.3 | -177.5 | 0 | 0 | 0 | 0 | 108 | S930 Y931 Q1017 | S930-V956 CarbonylContact C-O 3.48Å; S930-V956 VanDerWaalsContact CA-O 3.24Å; S930-V956 WeakPolarHBondContact CA-O 3.29Å; Y931-V956 HydrophobicContact CD1-CB 3.92Å; Y931-V956 HydrophobicContact CD1-CG2 4.27Å; Y931-V956 HydrophobicContact CE1-CB 3.56Å; Y931-V956 HydrophobicContact CE1-CG1 4.44Å; Y931-V956 HydrophobicContact CE1-CG2 3.44Å; Y931-V956 VanDerWaalsContact CE1-CG2 3.42Å; Y931-V956 HydrophobicContact CE2-CG2 4.35Å; Y931-V956 VanDerWaalsContact CZ-CG2 3.47Å; Y931-V956 PolarHBondContact N-O 3.35Å; Y931-V956 PolarHBondContact O-N 3.23Å; Y931-V956 VanDerWaalsContact O-O 3.12Å; Y931-V956 WeakPolarHBondContact OH-CG2 3.22Å; V956-Q1017 CarbonylContact C-O 3.53Å; V956-Q1017 WeakPolarHBondContact CA-O 3.36Å; V956-Q1017 HydrophobicContact CG1-CB 4.45Å; V956-Q1017 HydrophobicContact CG2-CB 4.22Å |
| 957 | L | 90.8 | Very high | 87.7 | Confident | 65.5 Ų | 65.5 | 36.3 Ų | 36.3 | 34% | 0.343 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 119.9 | 175.6 | -63.7 | 178.1 | 0 | 0 | 0 | 108.6 | I932 L1016 Q1017 V1018 N1019 | I932-L957 HydrophobicContact CD1-CD2 4.21Å; I932-L957 HydrophobicContact CG1-CD2 4.32Å; L957-L1016 HydrophobicContact CD1-CD1 4.12Å; L957-L1016 HydrophobicContact CG-CD1 4.36Å; L957-Q1017 PolarHBondContact N-O 3.12Å; L957-V1018 HydrophobicContact CB-CG1 4.22Å; L957-V1018 HydrophobicContact CB-CG2 4.35Å; L957-V1018 HydrophobicContact CD1-CG2 4.29Å; L957-V1018 CarbonylContact O-C 3.48Å; L957-V1018 WeakPolarHBondContact O-CA 3.42Å; L957-N1019 PolarHBondContact O-N 3.05Å |
| 958 | Y | 89.2 | Confident | 87.5 | Confident | 29.25 Ų | 29.25 | 38.7 Ų | 38.7 | 12% | 0.115 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 131.1 | 178.9 | 179.9 | -94.6 | 0 | 0 | 0 | 110.2 | N928 S930 L963 N1019 R1021 | N928-Y958 HydrophobicContact CB-CD1 4.14Å; N928-Y958 HydrophobicContact CB-CD2 4.44Å; N928-Y958 HydrophobicContact CB-CE1 3.82Å; N928-Y958 HydrophobicContact CB-CE2 4.12Å; N928-Y958 HydrophobicContact CB-CG 4.44Å; N928-Y958 VanDerWaalsContact CG-OH 3.26Å; N928-Y958 PolarHBondContact ND2-OH 3.27Å; N928-Y958 WeakPolarHBondContact O-CD1 3.3Å; N928-Y958 WeakPolarHBondContact OD1-CE2 3.25Å; N928-Y958 VanDerWaalsContact OD1-CZ 3.24Å; N928-Y958 PolarHBondContact OD1-OH 3.41Å; N928-Y958 VanDerWaalsContact OD1-OH 3.1Å; S930-Y958 WeakPolarHBondContact OG-CA 3.34Å; S930-Y958 WeakPolarHBondContact OG-CB 3.42Å; S930-Y958 PolarHBondContact OG-N 3.35Å; S930-Y958 PolarHBondContact OG-O 3.17Å; Y958-L963 HydrophobicContact CD1-CD2 4.35Å; Y958-L963 VanDerWaalsContact O-CD2 3.26Å; Y958-L963 WeakPolarHBondContact O-CD2 3.36Å; Y958-N1019 CarbonylContact C-O 3.53Å; Y958-N1019 WeakPolarHBondContact CA-O 3.24Å; Y958-N1019 HydrophobicContact CD2-CB 4.3Å; Y958-R1021 HydrophobicContact CE2-CB 3.94Å; Y958-R1021 VanDerWaalsContact OH-CB 3.29Å; Y958-R1021 WeakPolarHBondContact OH-CB 3.38Å; Y958-R1021 WeakPolarHBondContact OH-CD 3.42Å |
| 959 | W | 90.7 | Very high | 86.9 | Confident | 45 Ų | 45 | 37.2 Ų | 37.2 | 17% | 0.17 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 134.3 | 176.7 | -176.9 | 94.1 | 0 | 0 | 0 | 110.4 | P961 H964 N1019 F1020 R1021 L1022 A1122 W1125 V1126 | W959-P961 HydrophobicContact CH2-CG 4.24Å; W959-P961 HydrophobicContact CZ3-CG 4.25Å; W959-H964 HydrophobicContact CZ2-CB 4.07Å; W959-H964 AromaticContact NE1-CG 3.77Å; W959-H964 AromaticContact NE1-ND1 3.33Å; W959-H964 PolarHBondContact NE1-ND1 3.07Å; W959-N1019 PolarHBondContact N-O 3.13Å; W959-F1020 HydrophobicContact CB-CD1 3.77Å; W959-F1020 HydrophobicContact CB-CE1 4.11Å; W959-F1020 HydrophobicContact CB-CG 4.39Å; W959-F1020 AromaticContact CD2-CD1 3.71Å; W959-F1020 HydrophobicContact CD2-CD1 3.71Å; W959-F1020 HydrophobicContact CD2-CE1 4.24Å; W959-F1020 HydrophobicContact CE3-CB 4.19Å; W959-F1020 AromaticContact CE3-CD1 3.64Å; W959-F1020 HydrophobicContact CE3-CD1 3.64Å; W959-F1020 HydrophobicContact CE3-CE1 4.5Å; W959-F1020 HydrophobicContact CE3-CG 4.39Å; W959-F1020 AromaticContact CG-CD1 3.79Å; W959-F1020 HydrophobicContact CG-CD1 3.79Å; W959-F1020 AromaticContact CG-CE1 4Å; W959-F1020 HydrophobicContact CG-CE1 4.04Å; W959-F1020 HydrophobicContact CZ3-CD1 4.44Å; W959-R1021 PolarHBondContact O-N 2.97Å; W959-L1022 HydrophobicContact CZ3-CD2 4.22Å; W959-A1122 HydrophobicContact CH2-CB 4.23Å; W959-W1125 HydrophobicContact CH2-CE3 4.46Å; W959-W1125 AromaticContact CH2-CZ3 3.92Å; W959-W1125 HydrophobicContact CH2-CZ3 4.02Å; W959-W1125 AromaticContact CZ2-CZ3 3.87Å; W959-W1125 HydrophobicContact CZ2-CZ3 3.87Å; W959-V1126 HydrophobicContact CZ2-CG2 4.2Å |
| 960 | S | 87.7 | Confident | 86.1 | Confident | 7.75 Ų | 7.75 | 36.6 Ų | 36.6 | 5% | 0.054 | 18% | 0.176 | C | C | . | . | trans | -141 | 158.3 | 169.8 | 69.4 | 0 | 0 | 0 | 0 | 110.3 | S962 L963 H964 | S960-S962 VanDerWaalsContact C-N 3.28Å; S960-S962 PolarHBondContact O-N 3.21Å; S960-S962 PolarHBondContact OG-OG 3.04Å; S960-S962 VanDerWaalsContact OG-OG 3.08Å; S960-L963 PolarHBondContact O-N 2.95Å; S960-L963 VanDerWaalsContact OG-CB 3.28Å; S960-L963 WeakPolarHBondContact OG-CB 3.32Å; S960-L963 PolarHBondContact OG-N 3.1Å; S960-L963 VanDerWaalsContact OG-N 3.13Å; S960-H964 WeakPolarHBondContact O-CB 3.28Å; S960-H964 PolarHBondContact O-N 3.07Å | ||
| 961 | P | 87.4 | Confident | 85.5 | Confident | 9.5 Ų | 9.5 | 42.4 Ų | 42.4 | 6% | 0.062 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.4 | -40.3 | 174.5 | -27.8 | 35.5 | 0 | 0 | 0 | 113.4 | W959 H964 M965 R1021 P1023 W1125 F1365 L1367 | W959-P961 HydrophobicContact CH2-CG 4.24Å; W959-P961 HydrophobicContact CZ3-CG 4.25Å; P961-H964 PolarHBondContact O-N 3.32Å; P961-M965 WeakPolarHBondContact O-CG 3.38Å; P961-M965 PolarHBondContact O-N 3.18Å; P961-R1021 VanDerWaalsContact CD-O 3.27Å; P961-R1021 WeakPolarHBondContact CD-O 3.38Å; P961-P1023 HydrophobicContact CG-CG 4.43Å; P961-W1125 HydrophobicContact CB-CH2 4.07Å; P961-W1125 HydrophobicContact CB-CZ3 4.12Å; P961-W1125 WeakPolarHBondContact O-CH2 3.31Å; P961-F1365 HydrophobicContact CB-CE1 4.12Å; P961-F1365 HydrophobicContact CG-CE1 3.95Å; P961-F1365 HydrophobicContact CG-CZ 3.97Å; P961-L1367 HydrophobicContact CB-CD2 4.37Å |
| 962 | S | 83.2 | Confident | 84.7 | Confident | 26.5 Ų | 26.5 | 44 Ų | 44 | 19% | 0.185 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.7 | -49.8 | 177.6 | 33.2 | 0 | 0 | 0 | 0 | 112.2 | S960 H964 M965 L966 L1367 G1368 H1369 | S960-S962 VanDerWaalsContact C-N 3.28Å; S960-S962 PolarHBondContact O-N 3.21Å; S960-S962 PolarHBondContact OG-OG 3.04Å; S960-S962 VanDerWaalsContact OG-OG 3.08Å; S962-H964 VanDerWaalsContact C-N 3.3Å; S962-H964 PolarHBondContact O-N 3.02Å; S962-M965 PolarHBondContact O-N 2.94Å; S962-M965 VanDerWaalsContact O-N 3.16Å; S962-L966 WeakPolarHBondContact O-CB 3.44Å; S962-L966 WeakPolarHBondContact O-CG 3.48Å; S962-L966 PolarHBondContact O-N 3.17Å; S962-L1367 WeakPolarHBondContact CA-O 3.38Å; S962-L1367 WeakPolarHBondContact CB-O 3.25Å; S962-L1367 PolarHBondContact N-O 3.1Å; S962-L1367 VanDerWaalsContact N-O 3.1Å; S962-L1367 PolarHBondContact OG-O 3.18Å; S962-G1368 WeakPolarHBondContact OG-CA 3.44Å; S962-H1369 WeakPolarHBondContact CB-CD2 3.43Å; S962-H1369 PolarHBondContact OG-CD2 3.13Å |
| 963 | L | 83.6 | Confident | 83.9 | Confident | 7.25 Ų | 7.25 | 39.8 Ų | 39.8 | 4% | 0.038 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.9 | -39.6 | 176.9 | -177.8 | 83.8 | 0 | 0 | 0 | 110.7 | Y958 S960 M965 L966 L967 | Y958-L963 HydrophobicContact CD1-CD2 4.35Å; Y958-L963 VanDerWaalsContact O-CD2 3.26Å; Y958-L963 WeakPolarHBondContact O-CD2 3.36Å; S960-L963 PolarHBondContact O-N 2.95Å; S960-L963 VanDerWaalsContact OG-CB 3.28Å; S960-L963 WeakPolarHBondContact OG-CB 3.32Å; S960-L963 PolarHBondContact OG-N 3.1Å; S960-L963 VanDerWaalsContact OG-N 3.13Å; L963-M965 VanDerWaalsContact C-N 3.33Å; L963-M965 PolarHBondContact O-N 3.14Å; L963-L966 WeakPolarHBondContact O-CB 3.38Å; L963-L966 PolarHBondContact O-N 3.11Å; L963-L967 HydrophobicContact CD1-CD1 4.28Å; L963-L967 HydrophobicContact CD1-CG 4.3Å; L963-L967 HydrophobicContact CD2-CD1 3.53Å; L963-L967 HydrophobicContact CD2-CG 4.19Å; L963-L967 HydrophobicContact CG-CD1 4.12Å; L963-L967 HydrophobicContact CG-CG 4.38Å; L963-L967 WeakPolarHBondContact O-CB 3.3Å; L963-L967 VanDerWaalsContact O-CG 3.25Å; L963-L967 WeakPolarHBondContact O-CG 3.33Å; L963-L967 PolarHBondContact O-N 3.05Å |
| 964 | H | 87.7 | Confident | 83 | Confident | 37.75 Ų | 37.75 | 39.6 Ų | 39.6 | 18% | 0.175 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.3 | -42.1 | 176 | -171.7 | 83.5 | 0 | 0 | 0 | 112 | W959 S960 P961 S962 L966 L967 Y968 W1125 | W959-H964 HydrophobicContact CZ2-CB 4.07Å; W959-H964 AromaticContact NE1-CG 3.77Å; W959-H964 AromaticContact NE1-ND1 3.33Å; W959-H964 PolarHBondContact NE1-ND1 3.07Å; S960-H964 WeakPolarHBondContact O-CB 3.28Å; S960-H964 PolarHBondContact O-N 3.07Å; P961-H964 PolarHBondContact O-N 3.32Å; S962-H964 VanDerWaalsContact C-N 3.3Å; S962-H964 PolarHBondContact O-N 3.02Å; H964-L966 VanDerWaalsContact C-N 3.31Å; H964-L966 PolarHBondContact O-N 3.25Å; H964-L967 PolarHBondContact O-N 3.1Å; H964-Y968 WeakPolarHBondContact O-CA 3.41Å; H964-Y968 WeakPolarHBondContact O-CB 3.37Å; H964-Y968 PolarHBondContact O-N 3.18Å; H964-W1125 HydrophobicContact CB-CH2 3.98Å; H964-W1125 HydrophobicContact CB-CZ3 4.28Å; H964-W1125 AromaticContact CD2-CH2 3.58Å; H964-W1125 VanDerWaalsContact CD2-CH2 3.49Å; H964-W1125 WeakPolarHBondContact CD2-CH2 3.42Å; H964-W1125 AromaticContact CD2-CZ3 3.89Å; H964-W1125 AromaticContact CG-CH2 3.96Å |
| 965 | M | 85 | Confident | 82.3 | Confident | 21.25 Ų | 21.25 | 40.3 Ų | 40.3 | 11% | 0.105 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.5 | -42.2 | 176.2 | -79 | -59.6 | -69.4 | 0 | 0 | 112.5 | P961 S962 L963 L967 Y968 K969 W1125 L1129 F1371 | P961-M965 WeakPolarHBondContact O-CG 3.38Å; P961-M965 PolarHBondContact O-N 3.18Å; S962-M965 PolarHBondContact O-N 2.94Å; S962-M965 VanDerWaalsContact O-N 3.16Å; L963-M965 VanDerWaalsContact C-N 3.33Å; L963-M965 PolarHBondContact O-N 3.14Å; M965-L967 VanDerWaalsContact C-N 3.35Å; M965-Y968 PolarHBondContact O-N 3.34Å; M965-K969 WeakPolarHBondContact O-CB 3.36Å; M965-K969 VanDerWaalsContact O-CG 3.3Å; M965-K969 WeakPolarHBondContact O-CG 3.36Å; M965-K969 PolarHBondContact O-N 3.2Å; M965-W1125 HydrophobicContact CG-CH2 4.03Å; M965-W1125 HydrophobicContact CG-CZ2 3.64Å; M965-W1125 HydrophobicContact SD-CH2 4.38Å; M965-W1125 HydrophobicContact SD-CZ2 3.64Å; M965-L1129 HydrophobicContact SD-CD1 4.19Å; M965-L1129 HydrophobicContact SD-CD2 4.24Å; M965-F1371 HydrophobicContact CB-CD1 4.3Å; M965-F1371 HydrophobicContact CB-CD2 4.28Å; M965-F1371 HydrophobicContact CB-CE1 4.08Å; M965-F1371 HydrophobicContact CB-CE2 4.06Å; M965-F1371 HydrophobicContact CB-CG 4.4Å; M965-F1371 HydrophobicContact CB-CZ 3.96Å; M965-F1371 HydrophobicContact CE-CD1 4.43Å |
| 966 | L | 80.6 | Confident | 81.3 | Confident | 2.25 Ų | 2.25 | 47 Ų | 47 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.9 | -52.6 | 174.8 | -114 | 135.4 | 0 | 0 | 0 | 110.3 | L873 A878 C880 S962 L963 H964 Y968 K969 T970 F1371 | L873-L966 HydrophobicContact CB-CD2 4.17Å; L873-L966 HydrophobicContact CD1-CD1 3.76Å; L873-L966 VanDerWaalsContact CD1-CD1 3.49Å; L873-L966 HydrophobicContact CD1-CD2 3.5Å; L873-L966 VanDerWaalsContact CD1-CD2 3.47Å; L873-L966 HydrophobicContact CD1-CG 3.98Å; L873-L966 HydrophobicContact CG-CD2 4.12Å; A878-L966 HydrophobicContact CB-CD1 3.94Å; A878-L966 HydrophobicContact CB-CD2 3.94Å; C880-L966 HydrophobicContact CB-CD2 3.32Å; C880-L966 HydrophobicContact CB-CG 4.18Å; S962-L966 WeakPolarHBondContact O-CB 3.44Å; S962-L966 WeakPolarHBondContact O-CG 3.48Å; S962-L966 PolarHBondContact O-N 3.17Å; L963-L966 WeakPolarHBondContact O-CB 3.38Å; L963-L966 PolarHBondContact O-N 3.11Å; H964-L966 VanDerWaalsContact C-N 3.31Å; H964-L966 PolarHBondContact O-N 3.25Å; L966-Y968 PolarHBondContact O-N 3.32Å; L966-K969 PolarHBondContact O-N 2.88Å; L966-T970 WeakPolarHBondContact O-CB 3.46Å; L966-T970 VanDerWaalsContact O-CG2 3.29Å; L966-T970 WeakPolarHBondContact O-CG2 3.39Å; L966-T970 PolarHBondContact O-N 2.87Å; L966-T970 VanDerWaalsContact O-N 3.17Å; L966-T970 PolarHBondContact O-OG1 3.06Å; L966-F1371 HydrophobicContact CD2-CE2 4.36Å; L966-F1371 HydrophobicContact CD2-CZ 4.01Å; L966-F1371 HydrophobicContact CG-CE2 4.3Å; L966-F1371 HydrophobicContact CG-CZ 4.24Å |
| 967 | L | 82.8 | Confident | 79.9 | Confident | 39.75 Ų | 39.75 | 47.2 Ų | 47.2 | 21% | 0.208 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63 | -43.2 | 177.2 | -68.4 | 176.8 | 0 | 0 | 0 | 112.2 | F882 L963 H964 M965 K969 T970 F971 | F882-L967 HydrophobicContact CE2-CD2 4.36Å; F882-L967 HydrophobicContact CZ-CD2 3.73Å; L963-L967 HydrophobicContact CD1-CD1 4.28Å; L963-L967 HydrophobicContact CD1-CG 4.3Å; L963-L967 HydrophobicContact CD2-CD1 3.53Å; L963-L967 HydrophobicContact CD2-CG 4.19Å; L963-L967 HydrophobicContact CG-CD1 4.12Å; L963-L967 HydrophobicContact CG-CG 4.38Å; L963-L967 WeakPolarHBondContact O-CB 3.3Å; L963-L967 VanDerWaalsContact O-CG 3.25Å; L963-L967 WeakPolarHBondContact O-CG 3.33Å; L963-L967 PolarHBondContact O-N 3.05Å; H964-L967 PolarHBondContact O-N 3.1Å; M965-L967 VanDerWaalsContact C-N 3.35Å; L967-K969 PolarHBondContact O-N 2.92Å; L967-T970 VanDerWaalsContact CA-OG1 3.27Å; L967-T970 WeakPolarHBondContact CA-OG1 3.35Å; L967-T970 PolarHBondContact O-N 3.09Å; L967-T970 PolarHBondContact O-OG1 3.23Å; L967-F971 HydrophobicContact CB-CD2 4.16Å; L967-F971 HydrophobicContact CB-CE2 4.18Å; L967-F971 HydrophobicContact CD2-CE2 4.26Å; L967-F971 VanDerWaalsContact O-CB 3.32Å; L967-F971 WeakPolarHBondContact O-CB 3.34Å; L967-F971 VanDerWaalsContact O-CD2 3.28Å; L967-F971 WeakPolarHBondContact O-CD2 3.36Å; L967-F971 WeakPolarHBondContact O-CG 3.21Å; L967-F971 PolarHBondContact O-N 3.02Å |
| 968 | Y | 84.3 | Confident | 78.7 | Confident | 85.75 Ų | 85.75 | 46.8 Ų | 46.8 | 34% | 0.336 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.3 | -45.1 | 179.8 | 176.2 | -103.2 | 0 | 0 | 0 | 111.8 | H964 M965 L966 S972 L1129 | H964-Y968 WeakPolarHBondContact O-CA 3.41Å; H964-Y968 WeakPolarHBondContact O-CB 3.37Å; H964-Y968 PolarHBondContact O-N 3.18Å; M965-Y968 PolarHBondContact O-N 3.34Å; L966-Y968 PolarHBondContact O-N 3.32Å; Y968-S972 VanDerWaalsContact O-CB 3.24Å; Y968-S972 WeakPolarHBondContact O-CB 3.29Å; Y968-S972 PolarHBondContact O-N 3.17Å; Y968-S972 PolarHBondContact O-OG 2.79Å; Y968-L1129 HydrophobicContact CD1-CD2 4.23Å; Y968-L1129 HydrophobicContact CE1-CD2 4.2Å; Y968-L1129 HydrophobicContact CE2-CB 4.17Å; Y968-L1129 PolarHBondContact OH-O 3.1Å |
| 969 | K | 79.3 | Confident | 77.6 | Confident | 63.5 Ų | 63.5 | 51.8 Ų | 51.8 | 28% | 0.276 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 176.5 | -74.3 | -148.7 | 178.7 | -173.8 | 0 | 111.5 | L873 F876 M965 L966 L967 S972 T973 F1371 | L873-K969 HydrophobicContact CD1-CB 4.33Å; L873-K969 HydrophobicContact CD1-CD 4.3Å; L873-K969 HydrophobicContact CD2-CB 4.3Å; F876-K969 HydrophobicContact CE2-CD 4.3Å; M965-K969 WeakPolarHBondContact O-CB 3.36Å; M965-K969 VanDerWaalsContact O-CG 3.3Å; M965-K969 WeakPolarHBondContact O-CG 3.36Å; M965-K969 PolarHBondContact O-N 3.2Å; L966-K969 PolarHBondContact O-N 2.88Å; L967-K969 PolarHBondContact O-N 2.92Å; K969-S972 WeakPolarHBondContact CA-OG 3.41Å; K969-S972 PolarHBondContact O-N 3.09Å; K969-S972 PolarHBondContact O-OG 2.99Å; K969-T973 VanDerWaalsContact O-CB 3.22Å; K969-T973 WeakPolarHBondContact O-CB 3.33Å; K969-T973 WeakPolarHBondContact O-CG2 3.01Å; K969-T973 PolarHBondContact O-N 3.03Å; K969-T973 VanDerWaalsContact O-N 3.1Å; K969-T973 PolarHBondContact O-OG1 2.82Å; K969-T973 VanDerWaalsContact O-OG1 3.12Å; K969-F1371 HydrophobicContact CD-CE1 4.5Å |
| 970 | T | 73.9 | Confident | 76.2 | Confident | 12.5 Ų | 12.5 | 53.7 Ų | 53.7 | 8% | 0.077 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.1 | -47.4 | 177.2 | 38.4 | 0 | 0 | 0 | 0 | 111.8 | I824 I871 L873 L966 L967 S972 T973 F974 | I824-T970 HydrophobicContact CD1-CG2 4.42Å; I871-T970 HydrophobicContact CB-CG2 4.23Å; I871-T970 HydrophobicContact CD1-CG2 4.14Å; I871-T970 HydrophobicContact CG2-CG2 3.51Å; I871-T970 VanDerWaalsContact CG2-CG2 3.41Å; L873-T970 HydrophobicContact CD1-CG2 4.33Å; L966-T970 WeakPolarHBondContact O-CB 3.46Å; L966-T970 VanDerWaalsContact O-CG2 3.29Å; L966-T970 WeakPolarHBondContact O-CG2 3.39Å; L966-T970 PolarHBondContact O-N 2.87Å; L966-T970 VanDerWaalsContact O-N 3.17Å; L966-T970 PolarHBondContact O-OG1 3.06Å; L967-T970 VanDerWaalsContact CA-OG1 3.27Å; L967-T970 WeakPolarHBondContact CA-OG1 3.35Å; L967-T970 PolarHBondContact O-N 3.09Å; L967-T970 PolarHBondContact O-OG1 3.23Å; T970-S972 VanDerWaalsContact C-N 3.32Å; T970-S972 PolarHBondContact O-N 3.24Å; T970-T973 WeakPolarHBondContact CA-OG1 3.45Å; T970-T973 VanDerWaalsContact O-CB 3.3Å; T970-T973 WeakPolarHBondContact O-CB 3.3Å; T970-T973 PolarHBondContact O-N 3.24Å; T970-T973 PolarHBondContact O-OG1 3.4Å; T970-F974 WeakPolarHBondContact O-CB 3.33Å; T970-F974 VanDerWaalsContact O-CD2 3.31Å; T970-F974 WeakPolarHBondContact O-CD2 3.43Å; T970-F974 PolarHBondContact O-N 2.84Å |
| 971 | F | 77.7 | Confident | 74.9 | Confident | 138.5 Ų | 138.5 | 57.5 Ų | 57.5 | 61% | 0.607 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64.9 | -40.4 | 177 | -82.2 | -64.6 | 0 | 0 | 0 | 112.8 | L967 T973 F974 A975 | L967-F971 HydrophobicContact CB-CD2 4.16Å; L967-F971 HydrophobicContact CB-CE2 4.18Å; L967-F971 HydrophobicContact CD2-CE2 4.26Å; L967-F971 VanDerWaalsContact O-CB 3.32Å; L967-F971 WeakPolarHBondContact O-CB 3.34Å; L967-F971 VanDerWaalsContact O-CD2 3.28Å; L967-F971 WeakPolarHBondContact O-CD2 3.36Å; L967-F971 WeakPolarHBondContact O-CG 3.21Å; L967-F971 PolarHBondContact O-N 3.02Å; F971-T973 VanDerWaalsContact C-N 3.31Å; F971-T973 PolarHBondContact O-N 3.1Å; F971-F974 PolarHBondContact O-N 3.06Å; F971-A975 VanDerWaalsContact O-CB 3.27Å; F971-A975 WeakPolarHBondContact O-CB 3.32Å; F971-A975 PolarHBondContact O-N 3.28Å |
| 972 | S | 74.4 | Confident | 73.6 | Confident | 38.25 Ų | 38.25 | 59.8 Ų | 59.8 | 27% | 0.267 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63 | -38.4 | 177 | 90 | 0 | 0 | 0 | 0 | 111.6 | Y968 K969 T970 A975 K976 | Y968-S972 VanDerWaalsContact O-CB 3.24Å; Y968-S972 WeakPolarHBondContact O-CB 3.29Å; Y968-S972 PolarHBondContact O-N 3.17Å; Y968-S972 PolarHBondContact O-OG 2.79Å; K969-S972 WeakPolarHBondContact CA-OG 3.41Å; K969-S972 PolarHBondContact O-N 3.09Å; K969-S972 PolarHBondContact O-OG 2.99Å; T970-S972 VanDerWaalsContact C-N 3.32Å; T970-S972 PolarHBondContact O-N 3.24Å; S972-A975 PolarHBondContact O-N 3.22Å; S972-K976 WeakPolarHBondContact O-CG 3.27Å; S972-K976 PolarHBondContact O-N 3.22Å |
| 973 | T | 67.8 | Low | 72.1 | Confident | 42.75 Ų | 42.75 | 64.4 Ų | 64.4 | 26% | 0.262 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -69 | -45 | 176 | -40 | 0 | 0 | 0 | 0 | 111.6 | I824 K969 T970 F971 A975 K976 L977 | I824-T973 HydrophobicContact CB-CG2 4.35Å; I824-T973 HydrophobicContact CD1-CG2 3.47Å; I824-T973 HydrophobicContact CG1-CG2 3.42Å; I824-T973 VanDerWaalsContact CG1-CG2 3.48Å; I824-T973 HydrophobicContact CG2-CG2 3.51Å; I824-T973 VanDerWaalsContact CG2-CG2 3.41Å; K969-T973 VanDerWaalsContact O-CB 3.22Å; K969-T973 WeakPolarHBondContact O-CB 3.33Å; K969-T973 WeakPolarHBondContact O-CG2 3.01Å; K969-T973 PolarHBondContact O-N 3.03Å; K969-T973 VanDerWaalsContact O-N 3.1Å; K969-T973 PolarHBondContact O-OG1 2.82Å; K969-T973 VanDerWaalsContact O-OG1 3.12Å; T970-T973 WeakPolarHBondContact CA-OG1 3.45Å; T970-T973 VanDerWaalsContact O-CB 3.3Å; T970-T973 WeakPolarHBondContact O-CB 3.3Å; T970-T973 PolarHBondContact O-N 3.24Å; T970-T973 PolarHBondContact O-OG1 3.4Å; F971-T973 VanDerWaalsContact C-N 3.31Å; F971-T973 PolarHBondContact O-N 3.1Å; T973-A975 VanDerWaalsContact C-N 3.31Å; T973-A975 PolarHBondContact O-N 3.2Å; T973-K976 WeakPolarHBondContact O-CB 3.43Å; T973-K976 PolarHBondContact O-N 2.8Å; T973-L977 WeakPolarHBondContact O-CB 3.3Å; T973-L977 PolarHBondContact O-N 3.18Å |
| 974 | F | 70 | Confident | 70.2 | Confident | 104.5 Ų | 104.5 | 70.7 Ų | 70.7 | 46% | 0.458 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.8 | -35.9 | 173.5 | -125.6 | -83.3 | 0 | 0 | 0 | 112.4 | C822 I827 T970 F971 L977 S978 | C822-F974 WeakPolarHBondContact SG-CZ 3.32Å; I827-F974 HydrophobicContact CD1-CE1 4.08Å; I827-F974 HydrophobicContact CD1-CE2 4.02Å; I827-F974 HydrophobicContact CD1-CZ 3.96Å; T970-F974 WeakPolarHBondContact O-CB 3.33Å; T970-F974 VanDerWaalsContact O-CD2 3.31Å; T970-F974 WeakPolarHBondContact O-CD2 3.43Å; T970-F974 PolarHBondContact O-N 2.84Å; F971-F974 PolarHBondContact O-N 3.06Å; F974-L977 HydrophobicContact CD1-CD2 4.35Å; F974-L977 WeakPolarHBondContact O-CB 3.39Å; F974-L977 PolarHBondContact O-N 2.99Å; F974-S978 WeakPolarHBondContact O-CB 3.43Å; F974-S978 PolarHBondContact O-N 3.1Å |
| 975 | A | 72.1 | Confident | 68.2 | Low | 54 Ų | 54 | 76.1 Ų | 76.1 | 45% | 0.446 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.9 | -43.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F971 S972 T973 L977 S978 M979 | F971-A975 VanDerWaalsContact O-CB 3.27Å; F971-A975 WeakPolarHBondContact O-CB 3.32Å; F971-A975 PolarHBondContact O-N 3.28Å; S972-A975 PolarHBondContact O-N 3.22Å; T973-A975 VanDerWaalsContact C-N 3.31Å; T973-A975 PolarHBondContact O-N 3.2Å; A975-L977 VanDerWaalsContact C-N 3.29Å; A975-L977 PolarHBondContact O-N 2.83Å; A975-S978 WeakPolarHBondContact O-CB 3.4Å; A975-S978 PolarHBondContact O-N 3.13Å; A975-S978 PolarHBondContact O-OG 2.9Å; A975-M979 WeakPolarHBondContact O-CG 3.28Å; A975-M979 PolarHBondContact O-N 3.09Å |
| 976 | K | 67.5 | Low | 66.1 | Low | 141 Ų | 141 | 83.1 Ų | 83.1 | 61% | 0.613 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -59 | -41.4 | 172.4 | -72.6 | 173.7 | -177.2 | 179.3 | 0 | 111.3 | S972 T973 M979 L980 | S972-K976 WeakPolarHBondContact O-CG 3.27Å; S972-K976 PolarHBondContact O-N 3.22Å; T973-K976 WeakPolarHBondContact O-CB 3.43Å; T973-K976 PolarHBondContact O-N 2.8Å; K976-M979 WeakPolarHBondContact O-CB 3.37Å; K976-M979 PolarHBondContact O-N 3.11Å; K976-L980 WeakPolarHBondContact O-CG 3.44Å; K976-L980 PolarHBondContact O-N 3.07Å; K976-L980 VanDerWaalsContact O-N 3.14Å |
| 977 | L | 63.1 | Low | 64.2 | Low | 18.75 Ų | 18.75 | 88 Ų | 88 | 10% | 0.098 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -64.6 | -46.5 | 175.4 | -172.2 | 97.2 | 0 | 0 | 0 | 112.3 | I827 R828 C831 T973 F974 A975 M979 L980 L981 | I827-L977 HydrophobicContact CB-CD1 3.91Å; I827-L977 HydrophobicContact CB-CD2 4.34Å; I827-L977 HydrophobicContact CG2-CB 4.26Å; I827-L977 HydrophobicContact CG2-CD1 3.55Å; I827-L977 VanDerWaalsContact CG2-CD1 3.41Å; I827-L977 HydrophobicContact CG2-CD2 3.43Å; I827-L977 HydrophobicContact CG2-CG 4.02Å; R828-L977 HydrophobicContact CG-CD1 4.07Å; C831-L977 HydrophobicContact CB-CD1 4.28Å; C831-L977 VanDerWaalsContact SG-CD1 3.56Å; T973-L977 WeakPolarHBondContact O-CB 3.3Å; T973-L977 PolarHBondContact O-N 3.18Å; F974-L977 HydrophobicContact CD1-CD2 4.35Å; F974-L977 WeakPolarHBondContact O-CB 3.39Å; F974-L977 PolarHBondContact O-N 2.99Å; A975-L977 VanDerWaalsContact C-N 3.29Å; A975-L977 PolarHBondContact O-N 2.83Å; L977-M979 PolarHBondContact O-N 3.09Å; L977-L980 CarbonylContact O-C 3.48Å; L977-L980 WeakPolarHBondContact O-CB 3.36Å; L977-L980 PolarHBondContact O-N 3.18Å; L977-L980 VanDerWaalsContact O-N 3.11Å; L977-L981 HydrophobicContact CD1-CD1 4.5Å; L977-L981 HydrophobicContact CD2-CD1 3.9Å; L977-L981 HydrophobicContact CG-CD1 4.18Å; L977-L981 HydrophobicContact CG-CG 4.4Å; L977-L981 WeakPolarHBondContact O-CG 3.42Å; L977-L981 PolarHBondContact O-N 3.14Å |
| 978 | S | 65.2 | Low | 62.1 | Low | 56.5 Ų | 56.5 | 90 Ų | 90 | 40% | 0.395 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -58.3 | -37.2 | 176.4 | 156.3 | 0 | 0 | 0 | 0 | 111.6 | F974 A975 L981 S982 K999 | F974-S978 WeakPolarHBondContact O-CB 3.43Å; F974-S978 PolarHBondContact O-N 3.1Å; A975-S978 WeakPolarHBondContact O-CB 3.4Å; A975-S978 PolarHBondContact O-N 3.13Å; A975-S978 PolarHBondContact O-OG 2.9Å; S978-L981 PolarHBondContact O-N 3.32Å; S978-S982 VanDerWaalsContact O-CB 3.32Å; S978-S982 WeakPolarHBondContact O-CB 3.38Å; S978-S982 PolarHBondContact O-N 3.16Å; S978-S982 PolarHBondContact O-OG 3.14Å; S978-K999 PolarHBondContact OG-NZ 2.78Å |
| 979 | M | 66.1 | Low | 59.7 | Low | 135.25 Ų | 135.25 | 90.9 Ų | 90.9 | 67% | 0.666 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.1 | -46.7 | 172.3 | -86.2 | -139.4 | -147.2 | 0 | 0 | 112.1 | A975 K976 L977 L981 S982 Q983 | A975-M979 WeakPolarHBondContact O-CG 3.28Å; A975-M979 PolarHBondContact O-N 3.09Å; K976-M979 WeakPolarHBondContact O-CB 3.37Å; K976-M979 PolarHBondContact O-N 3.11Å; L977-M979 PolarHBondContact O-N 3.09Å; M979-L981 VanDerWaalsContact C-N 3.34Å; M979-L981 PolarHBondContact O-N 2.93Å; M979-S982 CarbonylContact O-C 3.42Å; M979-S982 PolarHBondContact O-N 3.11Å; M979-S982 VanDerWaalsContact O-N 3.11Å; M979-S982 PolarHBondContact O-OG 3.28Å; M979-Q983 WeakPolarHBondContact O-CG 3.37Å; M979-Q983 PolarHBondContact O-N 3Å; M979-Q983 VanDerWaalsContact O-N 3.11Å |
| 980 | L | 60.9 | Low | 57.7 | Low | 83.75 Ų | 83.75 | 92.3 Ų | 92.3 | 44% | 0.438 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.7 | -40.1 | 177.2 | -71.8 | 169.6 | 0 | 0 | 0 | 112.3 | K835 K976 L977 S982 Q983 | K835-L980 PolarHBondContact NZ-O 3.12Å; K976-L980 WeakPolarHBondContact O-CG 3.44Å; K976-L980 PolarHBondContact O-N 3.07Å; K976-L980 VanDerWaalsContact O-N 3.14Å; L977-L980 CarbonylContact O-C 3.48Å; L977-L980 WeakPolarHBondContact O-CB 3.36Å; L977-L980 PolarHBondContact O-N 3.18Å; L977-L980 VanDerWaalsContact O-N 3.11Å; L980-S982 VanDerWaalsContact C-N 3.33Å; L980-S982 PolarHBondContact O-N 2.94Å; L980-Q983 PolarHBondContact O-N 3.4Å |
| 981 | L | 59.5 | Low | 55.9 | Low | 88.5 Ų | 88.5 | 96.4 Ų | 96.4 | 46% | 0.463 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.7 | -35.6 | 173.7 | -73.9 | 165.2 | 0 | 0 | 0 | 111.9 | C831 K835 L977 S978 M979 Q983 | C831-L981 HydrophobicContact CB-CD2 4.24Å; C831-L981 VanDerWaalsContact SG-CD2 3.54Å; K835-L981 HydrophobicContact CD-CD2 4.45Å; L977-L981 HydrophobicContact CD1-CD1 4.5Å; L977-L981 HydrophobicContact CD2-CD1 3.9Å; L977-L981 HydrophobicContact CG-CD1 4.18Å; L977-L981 HydrophobicContact CG-CG 4.4Å; L977-L981 WeakPolarHBondContact O-CG 3.42Å; L977-L981 PolarHBondContact O-N 3.14Å; S978-L981 PolarHBondContact O-N 3.32Å; M979-L981 VanDerWaalsContact C-N 3.34Å; M979-L981 PolarHBondContact O-N 2.93Å; L981-Q983 VanDerWaalsContact C-N 3.35Å; L981-Q983 PolarHBondContact O-N 3.12Å |
| 982 | S | 60.4 | Low | 53.9 | Low | 56.75 Ų | 56.75 | 93.2 Ų | 93.2 | 40% | 0.397 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -79.3 | -16.7 | -178.5 | -101.5 | 0 | 0 | 0 | 0 | 114.8 | S978 M979 L980 R984 K985 K986 K999 | S978-S982 VanDerWaalsContact O-CB 3.32Å; S978-S982 WeakPolarHBondContact O-CB 3.38Å; S978-S982 PolarHBondContact O-N 3.16Å; S978-S982 PolarHBondContact O-OG 3.14Å; M979-S982 CarbonylContact O-C 3.42Å; M979-S982 PolarHBondContact O-N 3.11Å; M979-S982 VanDerWaalsContact O-N 3.11Å; M979-S982 PolarHBondContact O-OG 3.28Å; L980-S982 VanDerWaalsContact C-N 3.33Å; L980-S982 PolarHBondContact O-N 2.94Å; S982-R984 PolarHBondContact O-N 3.01Å; S982-R984 VanDerWaalsContact O-N 3.11Å; S982-K985 PolarHBondContact O-N 3.13Å; S982-K986 PolarHBondContact O-N 3.13Å; S982-K999 PolarHBondContact OG-NZ 2.8Å |
| 983 | Q | 52.3 | Low | 52.1 | Low | 124 Ų | 124 | 103.3 Ų | 103.3 | 58% | 0.579 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -21.9 | -178.6 | -84.8 | -178.7 | -16 | 0 | 0 | 113.4 | M979 L980 L981 K985 K986 S987 | M979-Q983 WeakPolarHBondContact O-CG 3.37Å; M979-Q983 PolarHBondContact O-N 3Å; M979-Q983 VanDerWaalsContact O-N 3.11Å; L980-Q983 PolarHBondContact O-N 3.4Å; L981-Q983 VanDerWaalsContact C-N 3.35Å; L981-Q983 PolarHBondContact O-N 3.12Å; Q983-K985 VanDerWaalsContact C-N 3.28Å; Q983-K985 PolarHBondContact O-N 3.4Å; Q983-K986 PolarHBondContact O-N 3.26Å; Q983-S987 PolarHBondContact O-N 3.05Å |
| 984 | R | 44.4 | Very low | 50.7 | Low | 138.5 Ų | 138.5 | 108.1 Ų | 108.1 | 52% | 0.523 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.2 | -23.8 | 174.2 | -143.1 | 177.8 | -171 | 162.1 | 6.3 | 114.2 | Y838 E842 S982 K986 S987 A988 | Y838-R984 VanDerWaalsContact CG-NH2 3.29Å; E842-R984 IonicContact OE2-CZ 2.61Å; E842-R984 IonicContact OE2-NH2 3.8Å; E842-R984 PolarHBondContact OE2-NH2 3.26Å; S982-R984 PolarHBondContact O-N 3.01Å; S982-R984 VanDerWaalsContact O-N 3.11Å; R984-K986 PolarHBondContact O-N 3.28Å; R984-S987 PolarHBondContact O-N 3.45Å; R984-S987 PolarHBondContact O-OG 2.61Å; R984-A988 PolarHBondContact O-N 2.97Å; R984-A988 VanDerWaalsContact O-N 3.12Å |
| 985 | K | 44.1 | Very low | 49 | Very low | 153 Ų | 153 | 104.9 Ų | 104.9 | 67% | 0.665 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -82.4 | -13.2 | 178.4 | -78.7 | -172.7 | 176.6 | 179.6 | 0 | 114.1 | S982 Q983 K989 | S982-K985 PolarHBondContact O-N 3.13Å; Q983-K985 VanDerWaalsContact C-N 3.28Å; Q983-K985 PolarHBondContact O-N 3.4Å; K985-K989 VanDerWaalsContact O-CB 3.3Å; K985-K989 WeakPolarHBondContact O-CB 3.35Å; K985-K989 VanDerWaalsContact O-CG 3.3Å; K985-K989 WeakPolarHBondContact O-CG 3.29Å; K985-K989 PolarHBondContact O-N 3.01Å; K985-K989 VanDerWaalsContact O-N 3.16Å |
| 986 | K | 41.1 | Very low | 47.2 | Very low | 166.75 Ų | 166.75 | 105.3 Ų | 105.3 | 73% | 0.725 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -83.4 | -28.8 | 179.7 | -78.5 | -171.4 | 176.2 | -176.4 | 0 | 113.9 | S982 Q983 R984 A988 K989 A990 | S982-K986 PolarHBondContact O-N 3.13Å; Q983-K986 PolarHBondContact O-N 3.26Å; R984-K986 PolarHBondContact O-N 3.28Å; K986-A988 VanDerWaalsContact C-N 3.3Å; K986-A988 PolarHBondContact O-N 2.88Å; K986-K989 CarbonylContact O-C 3.54Å; K986-K989 PolarHBondContact O-N 3.2Å; K986-A990 PolarHBondContact O-N 3.12Å |
| 987 | S | 40.2 | Very low | 46.1 | Very low | 105.25 Ų | 105.25 | 102.3 Ų | 102.3 | 74% | 0.736 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -74.9 | -30.4 | 177.2 | 122.1 | 0 | 0 | 0 | 0 | 113 | Q983 R984 K989 | Q983-S987 PolarHBondContact O-N 3.05Å; R984-S987 PolarHBondContact O-N 3.45Å; R984-S987 PolarHBondContact O-OG 2.61Å; S987-K989 VanDerWaalsContact C-N 3.3Å; S987-K989 PolarHBondContact O-N 3.26Å |
| 988 | A | 39.6 | Very low | 45 | Very low | 83 Ų | 83 | 104.5 Ų | 104.5 | 69% | 0.686 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -11.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | R984 K986 | R984-A988 PolarHBondContact O-N 2.97Å; R984-A988 VanDerWaalsContact O-N 3.12Å; K986-A988 VanDerWaalsContact C-N 3.3Å; K986-A988 PolarHBondContact O-N 2.88Å |
| 989 | K | 34.4 | Very low | 43.9 | Very low | 104.25 Ų | 104.25 | 109.1 Ų | 109.1 | 45% | 0.453 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.2 | 14.7 | 178.5 | -79.5 | -173.9 | 166.7 | -171.4 | 0 | 113.8 | K985 K986 S987 A991 S992 G995 | K985-K989 VanDerWaalsContact O-CB 3.3Å; K985-K989 WeakPolarHBondContact O-CB 3.35Å; K985-K989 VanDerWaalsContact O-CG 3.3Å; K985-K989 WeakPolarHBondContact O-CG 3.29Å; K985-K989 PolarHBondContact O-N 3.01Å; K985-K989 VanDerWaalsContact O-N 3.16Å; K986-K989 CarbonylContact O-C 3.54Å; K986-K989 PolarHBondContact O-N 3.2Å; S987-K989 VanDerWaalsContact C-N 3.3Å; S987-K989 PolarHBondContact O-N 3.26Å; K989-A991 PolarHBondContact O-N 3.27Å; K989-A991 VanDerWaalsContact O-N 3.12Å; K989-S992 CarbonylContact O-C 3.47Å; K989-S992 PolarHBondContact O-N 3.27Å; K989-S992 VanDerWaalsContact O-O 3.13Å; K989-G995 VanDerWaalsContact NZ-CA 3.28Å; K989-G995 PolarHBondContact NZ-O 2.94Å |
| 990 | A | 36.4 | Very low | 42.8 | Very low | 92.5 Ų | 92.5 | 112 Ų | 112 | 76% | 0.764 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -13.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K986 | K986-A990 PolarHBondContact O-N 3.12Š|
| 991 | A | 37.1 | Very low | 42.1 | Very low | 99.5 Ų | 99.5 | 110 Ų | 110 | 82% | 0.822 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | 17.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | K989 | K989-A991 PolarHBondContact O-N 3.27Å; K989-A991 VanDerWaalsContact O-N 3.12Å |
| 992 | S | 35.8 | Very low | 41.6 | Very low | 70.5 Ų | 70.5 | 109.7 Ų | 109.7 | 49% | 0.493 | 61% | 0.608 | S | S | . | * | trans | -152.1 | 102.2 | 164.5 | 56.9 | 0 | 0 | 0 | 0 | 110.6 | K989 D994 | K989-S992 CarbonylContact O-C 3.47Å; K989-S992 PolarHBondContact O-N 3.27Å; K989-S992 VanDerWaalsContact O-O 3.13Å; S992-D994 VanDerWaalsContact C-N 3.31Å; S992-D994 PolarHBondContact O-N 2.94Å | ||
| 993 | R | 36 | Very low | 41.1 | Very low | 250.75 Ų | 250.75 | 114.5 Ų | 114.5 | 95% | 0.946 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | 13.6 | 179.6 | -88.8 | -179.7 | 172.1 | 172.3 | -2.3 | 113.5 | ||
| 994 | D | 39 | Very low | 41.3 | Very low | 143.75 Ų | 143.75 | 115.4 Ų | 115.4 | 77% | 0.769 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.8 | 18.2 | 176.3 | -79 | -31.7 | 0 | 0 | 0 | 115.9 | S992 G996 S997 | S992-D994 VanDerWaalsContact C-N 3.31Å; S992-D994 PolarHBondContact O-N 2.94Å; D994-G996 VanDerWaalsContact C-N 3.27Å; D994-G996 PolarHBondContact O-N 3.23Å; D994-G996 VanDerWaalsContact O-N 3.09Å; D994-S997 WeakPolarHBondContact O-CB 3.41Å; D994-S997 PolarHBondContact O-N 3.45Å; D994-S997 PolarHBondContact O-OG 3.02Å |
| 995 | G | 33.8 | Very low | 42.2 | Very low | 37.5 Ų | 37.5 | 111.4 Ų | 111.4 | 39% | 0.387 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.1 | -5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | K989 | K989-G995 VanDerWaalsContact NZ-CA 3.28Å; K989-G995 PolarHBondContact NZ-O 2.94Å |
| 996 | G | 35.3 | Very low | 43.7 | Very low | 61.25 Ų | 61.25 | 104.4 Ų | 104.4 | 63% | 0.631 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -18.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | D994 | D994-G996 VanDerWaalsContact C-N 3.27Å; D994-G996 PolarHBondContact O-N 3.23Å; D994-G996 VanDerWaalsContact O-N 3.09Å |
| 997 | S | 44 | Very low | 45.7 | Very low | 78 Ų | 78 | 99.4 Ų | 99.4 | 55% | 0.545 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -77 | -36.5 | -175.7 | 125.8 | 0 | 0 | 0 | 0 | 112.8 | D994 K999 R1000 A1001 | D994-S997 WeakPolarHBondContact O-CB 3.41Å; D994-S997 PolarHBondContact O-N 3.45Å; D994-S997 PolarHBondContact O-OG 3.02Å; S997-K999 PolarHBondContact O-N 3.35Å; S997-R1000 CarbonylContact O-C 3.56Å; S997-R1000 PolarHBondContact O-N 3.27Å; S997-R1000 VanDerWaalsContact O-N 3.14Å; S997-A1001 VanDerWaalsContact O-CB 3.25Å; S997-A1001 WeakPolarHBondContact O-CB 3.38Å; S997-A1001 PolarHBondContact O-N 3.12Å |
| 998 | A | 40.5 | Very low | 48 | Very low | 65 Ų | 65 | 95.3 Ų | 95.3 | 54% | 0.537 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.7 | -39.3 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | A1001 F1002 | A998-A1001 CarbonylContact O-C 3.59Å; A998-A1001 WeakPolarHBondContact O-CB 3.46Å; A998-A1001 PolarHBondContact O-N 3.25Å; A998-F1002 WeakPolarHBondContact O-CB 3.42Å; A998-F1002 PolarHBondContact O-N 3.06Å; A998-F1002 VanDerWaalsContact O-N 3.1Å |
| 999 | K | 41.2 | Very low | 50.4 | Low | 153.25 Ų | 153.25 | 93.5 Ų | 93.5 | 67% | 0.666 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -72.7 | -34 | 177.2 | -79.7 | -170 | 178.1 | -175.8 | 0 | 112.8 | S978 S982 S997 A1001 F1002 | S978-K999 PolarHBondContact OG-NZ 2.78Å; S982-K999 PolarHBondContact OG-NZ 2.8Å; S997-K999 PolarHBondContact O-N 3.35Å; K999-A1001 VanDerWaalsContact C-N 3.32Å; K999-F1002 PolarHBondContact O-N 3.05Å |
| 1000 | R | 42.2 | Very low | 53 | Low | 195.5 Ų | 195.5 | 91.2 Ų | 91.2 | 74% | 0.738 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -73.1 | -29.7 | 171.5 | -74.2 | -176.1 | -171.5 | 167.2 | 3.3 | 111.1 | S997 K1004 | S997-R1000 CarbonylContact O-C 3.56Å; S997-R1000 PolarHBondContact O-N 3.27Å; S997-R1000 VanDerWaalsContact O-N 3.14Å; R1000-K1004 WeakPolarHBondContact O-CB 3.29Å; R1000-K1004 VanDerWaalsContact O-CG 3.26Å; R1000-K1004 WeakPolarHBondContact O-CG 3.39Å; R1000-K1004 PolarHBondContact O-N 3.04Å; R1000-K1004 VanDerWaalsContact O-N 3.14Å |
| 1001 | A | 47.8 | Very low | 55.6 | Low | 42.4 Ų | 42.4 | 87.6 Ų | 87.6 | 35% | 0.35 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -68.8 | -40.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S997 A998 K999 W1003 K1004 S1005 | S997-A1001 VanDerWaalsContact O-CB 3.25Å; S997-A1001 WeakPolarHBondContact O-CB 3.38Å; S997-A1001 PolarHBondContact O-N 3.12Å; A998-A1001 CarbonylContact O-C 3.59Å; A998-A1001 WeakPolarHBondContact O-CB 3.46Å; A998-A1001 PolarHBondContact O-N 3.25Å; K999-A1001 VanDerWaalsContact C-N 3.32Å; A1001-W1003 PolarHBondContact O-N 3Å; A1001-K1004 CarbonylContact O-C 3.48Å; A1001-K1004 WeakPolarHBondContact O-CA 3.3Å; A1001-K1004 VanDerWaalsContact O-CB 3.29Å; A1001-K1004 WeakPolarHBondContact O-CB 3.3Å; A1001-K1004 PolarHBondContact O-N 3.14Å; A1001-K1004 VanDerWaalsContact O-N 3.11Å; A1001-S1005 WeakPolarHBondContact O-CB 3.29Å; A1001-S1005 PolarHBondContact O-N 3.07Å; A1001-S1005 PolarHBondContact O-OG 3.07Å |
| 1002 | F | 48.7 | Very low | 58.1 | Low | 81.8 Ų | 81.8 | 84 Ų | 84 | 36% | 0.359 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -54.3 | -49.6 | -178.8 | -175.8 | -94.4 | 0 | 0 | 0 | 113.3 | W945 A998 K999 K1004 S1005 S1006 | W945-F1002 HydrophobicContact CB-CE2 4.29Å; W945-F1002 HydrophobicContact CB-CZ 4.09Å; W945-F1002 AromaticContact CD1-CE2 3.39Å; W945-F1002 AromaticContact CD1-CZ 3.8Å; W945-F1002 HydrophobicContact CD2-CE2 4.2Å; W945-F1002 AromaticContact CD2-CZ 3.96Å; W945-F1002 HydrophobicContact CD2-CZ 4.08Å; W945-F1002 AromaticContact CE2-CE2 3.99Å; W945-F1002 AromaticContact CG-CE2 3.7Å; W945-F1002 HydrophobicContact CG-CE2 3.7Å; W945-F1002 AromaticContact CG-CZ 3.68Å; W945-F1002 HydrophobicContact CG-CZ 3.84Å; W945-F1002 AromaticContact NE1-CE2 3.52Å; W945-F1002 AromaticContact NE1-CZ 3.62Å; A998-F1002 WeakPolarHBondContact O-CB 3.42Å; A998-F1002 PolarHBondContact O-N 3.06Å; A998-F1002 VanDerWaalsContact O-N 3.1Å; K999-F1002 PolarHBondContact O-N 3.05Å; F1002-K1004 VanDerWaalsContact C-N 3.32Å; F1002-K1004 PolarHBondContact O-N 3.31Å; F1002-S1005 WeakPolarHBondContact CA-OG 3.45Å; F1002-S1005 CarbonylContact O-C 3.55Å; F1002-S1005 PolarHBondContact O-N 2.96Å; F1002-S1005 VanDerWaalsContact O-N 3.13Å; F1002-S1005 PolarHBondContact O-OG 3.23Å; F1002-S1006 VanDerWaalsContact O-CB 3.28Å; F1002-S1006 WeakPolarHBondContact O-CB 3.42Å; F1002-S1006 PolarHBondContact O-N 3.19Å; F1002-S1006 VanDerWaalsContact O-N 3.12Å; F1002-S1006 PolarHBondContact O-OG 3.17Å |
| 1003 | W | 49.9 | Very low | 60.5 | Low | 157 Ų | 157 | 85.2 Ų | 85.2 | 60% | 0.595 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -73 | -21.6 | 177.4 | -67.2 | 102.5 | 0 | 0 | 0 | 113.7 | A1001 S1005 S1006 L1039 | A1001-W1003 PolarHBondContact O-N 3Å; W1003-S1005 VanDerWaalsContact C-N 3.3Å; W1003-S1006 WeakPolarHBondContact CA-OG 3.32Å; W1003-S1006 PolarHBondContact O-OG 3.05Å; W1003-L1039 HydrophobicContact CE3-CD2 4.3Å |
| 1004 | K | 55.4 | Low | 63 | Low | 143 Ų | 143 | 74.5 Ų | 74.5 | 62% | 0.622 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -76.1 | -24 | 172.6 | -75.9 | -177.5 | 175.9 | -167.8 | 0 | 112.4 | R1000 A1001 F1002 F1041 | R1000-K1004 WeakPolarHBondContact O-CB 3.29Å; R1000-K1004 VanDerWaalsContact O-CG 3.26Å; R1000-K1004 WeakPolarHBondContact O-CG 3.39Å; R1000-K1004 PolarHBondContact O-N 3.04Å; R1000-K1004 VanDerWaalsContact O-N 3.14Å; A1001-K1004 CarbonylContact O-C 3.48Å; A1001-K1004 WeakPolarHBondContact O-CA 3.3Å; A1001-K1004 VanDerWaalsContact O-CB 3.29Å; A1001-K1004 WeakPolarHBondContact O-CB 3.3Å; A1001-K1004 PolarHBondContact O-N 3.14Å; A1001-K1004 VanDerWaalsContact O-N 3.11Å; F1002-K1004 VanDerWaalsContact C-N 3.32Å; F1002-K1004 PolarHBondContact O-N 3.31Å; K1004-F1041 HydrophobicContact CB-CD1 4.47Å; K1004-F1041 HydrophobicContact CB-CE1 4.5Å; K1004-F1041 HydrophobicContact CG-CD1 4.4Å; K1004-F1041 HydrophobicContact CG-CE1 3.94Å; K1004-F1041 HydrophobicContact CG-CE2 4.43Å; K1004-F1041 HydrophobicContact CG-CZ 3.96Å; K1004-F1041 CarbonylContact O-C 3.57Å; K1004-F1041 VanDerWaalsContact O-C 3.29Å; K1004-F1041 WeakPolarHBondContact O-CA 3.4Å; K1004-F1041 WeakPolarHBondContact O-CB 3.39Å |
| 1005 | S | 64.5 | Low | 65.3 | Low | 54.8 Ų | 54.8 | 70.9 Ų | 70.9 | 38% | 0.383 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -100 | 4 | 177.7 | 59.7 | 0 | 0 | 0 | 0 | 113.4 | Y944 W945 A1001 F1002 W1003 F1041 | Y944-S1005 VanDerWaalsContact CB-O 3.25Å; Y944-S1005 WeakPolarHBondContact CB-O 3.39Å; W945-S1005 PolarHBondContact N-O 2.79Å; A1001-S1005 WeakPolarHBondContact O-CB 3.29Å; A1001-S1005 PolarHBondContact O-N 3.07Å; A1001-S1005 PolarHBondContact O-OG 3.07Å; F1002-S1005 WeakPolarHBondContact CA-OG 3.45Å; F1002-S1005 CarbonylContact O-C 3.55Å; F1002-S1005 PolarHBondContact O-N 2.96Å; F1002-S1005 VanDerWaalsContact O-N 3.13Å; F1002-S1005 PolarHBondContact O-OG 3.23Å; W1003-S1005 VanDerWaalsContact C-N 3.3Å; S1005-F1041 WeakPolarHBondContact O-CD1 3.35Å; S1005-F1041 WeakPolarHBondContact O-CE1 3.28Å |
| 1006 | S | 75.2 | Confident | 68.1 | Low | 6.4 Ų | 6.4 | 69.9 Ų | 69.9 | 5% | 0.045 | 37% | 0.372 | C | S | . | . | trans | -101.2 | 148.9 | 179.5 | 51 | 0 | 0 | 0 | 0 | 112.3 | W945 F1002 W1003 F1041 | W945-S1006 WeakPolarHBondContact O-CA 3.26Å; W945-S1006 WeakPolarHBondContact O-CB 3.37Å; F1002-S1006 VanDerWaalsContact O-CB 3.28Å; F1002-S1006 WeakPolarHBondContact O-CB 3.42Å; F1002-S1006 PolarHBondContact O-N 3.19Å; F1002-S1006 VanDerWaalsContact O-N 3.12Å; F1002-S1006 PolarHBondContact O-OG 3.17Å; W1003-S1006 WeakPolarHBondContact CA-OG 3.32Å; W1003-S1006 PolarHBondContact O-OG 3.05Å; S1006-F1041 PolarHBondContact O-N 3.12Å; S1006-F1041 VanDerWaalsContact O-N 3.07Å | ||
| 1007 | K | 83.3 | Confident | 70.8 | Confident | 61.6 Ų | 61.6 | 69.4 Ų | 69.4 | 27% | 0.268 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 115.6 | 169.8 | -175.7 | 179.6 | 179.1 | -175.3 | 0 | 108.3 | Y944 W945 N946 V947 L1039 K1040 | Y944-K1007 HydrophobicContact CD2-CB 4.03Å; Y944-K1007 HydrophobicContact CE2-CB 3.6Å; Y944-K1007 HydrophobicContact CE2-CD 4.04Å; Y944-K1007 HydrophobicContact CE2-CG 4.37Å; W945-K1007 PolarHBondContact O-N 3.02Å; N946-K1007 CarbonylContact C-O 3.58Å; N946-K1007 WeakPolarHBondContact CA-O 3.38Å; V947-K1007 PolarHBondContact N-O 3.07Å; K1007-L1039 WeakPolarHBondContact CA-O 3.34Å; K1007-K1040 HydrophobicContact CG-CG 4.31Å |
| 1008 | S | 87.3 | Confident | 73.1 | Confident | 19.4 Ų | 19.4 | 67.1 Ų | 67.1 | 14% | 0.136 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 137.7 | 175.6 | 21.5 | 0 | 0 | 0 | 0 | 110.7 | V947 S1038 L1039 | V947-S1008 CarbonylContact O-C 3.49Å; V947-S1008 VanDerWaalsContact O-CA 3.25Å; V947-S1008 WeakPolarHBondContact O-CA 3.36Å; S1008-S1038 CarbonylContact O-C 3.56Å; S1008-S1038 WeakPolarHBondContact O-CA 3.32Å; S1008-L1039 PolarHBondContact N-O 3.04Å; S1008-L1039 PolarHBondContact O-N 3.02Å; S1008-L1039 WeakPolarHBondContact OG-CB 3.41Å |
| 1009 | I | 89.9 | Confident | 75.6 | Confident | 44.6 Ų | 44.6 | 65 Ų | 65 | 23% | 0.229 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 130 | 177 | -57.2 | 175.9 | 0 | 0 | 0 | 107.3 | V947 K948 V949 K1036 L1037 | V947-I1009 PolarHBondContact O-N 3.29Å; K948-I1009 CarbonylContact C-O 3.55Å; K948-I1009 WeakPolarHBondContact CA-O 3.41Å; V949-I1009 PolarHBondContact N-O 3.02Å; I1009-K1036 HydrophobicContact CG2-CG 4.37Å; I1009-L1037 CarbonylContact C-O 3.55Å; I1009-L1037 WeakPolarHBondContact CA-O 3.41Å |
| 1010 | I | 90.6 | Very high | 78 | Confident | 56.2 Ų | 56.2 | 60.7 Ų | 60.7 | 29% | 0.288 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 115.8 | 173.7 | -51.2 | 176.4 | 0 | 0 | 0 | 106.8 | V949 F1012 K1036 L1037 L1039 | V949-I1010 HydrophobicContact CB-CB 4.34Å; V949-I1010 HydrophobicContact CB-CG1 4.09Å; V949-I1010 HydrophobicContact CB-CG2 4.14Å; V949-I1010 HydrophobicContact CG1-CG2 4.16Å; V949-I1010 HydrophobicContact CG2-CG1 4.3Å; V949-I1010 CarbonylContact O-C 3.53Å; V949-I1010 VanDerWaalsContact O-CA 3.26Å; V949-I1010 WeakPolarHBondContact O-CA 3.36Å; I1010-F1012 HydrophobicContact CB-CE2 4.5Å; I1010-F1012 HydrophobicContact CG2-CD2 4.32Å; I1010-F1012 HydrophobicContact CG2-CE2 3.6Å; I1010-F1012 HydrophobicContact CG2-CZ 3.91Å; I1010-K1036 CarbonylContact O-C 3.5Å; I1010-K1036 WeakPolarHBondContact O-CA 3.28Å; I1010-L1037 HydrophobicContact CB-CB 4.21Å; I1010-L1037 HydrophobicContact CB-CD1 4.42Å; I1010-L1037 HydrophobicContact CD1-CD1 4.4Å; I1010-L1037 HydrophobicContact CD1-CD2 4.05Å; I1010-L1037 PolarHBondContact N-O 3.07Å; I1010-L1037 PolarHBondContact O-N 3.02Å; I1010-L1037 VanDerWaalsContact O-O 3.13Å; I1010-L1039 HydrophobicContact CD1-CD1 4.32Å |
| 1011 | S | 90.6 | Very high | 80.2 | Confident | 16.6 Ų | 16.6 | 55.9 Ų | 55.9 | 12% | 0.116 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 124.9 | 179.1 | 61.7 | 0 | 0 | 0 | 0 | 111.2 | V949 S950 V951 N1013 | V949-S1011 PolarHBondContact O-N 2.97Å; V949-S1011 PolarHBondContact O-OG 2.88Å; S950-S1011 CarbonylContact C-O 3.59Å; S950-S1011 VanDerWaalsContact CA-O 3.28Å; S950-S1011 WeakPolarHBondContact CA-O 3.33Å; S950-S1011 VanDerWaalsContact CB-OG 3.32Å; S950-S1011 WeakPolarHBondContact CB-OG 3.4Å; V951-S1011 PolarHBondContact N-O 3.32Å; S1011-N1013 PolarHBondContact OG-OD1 3.48Å |
| 1012 | F | 89.7 | Confident | 82.1 | Confident | 24.2 Ų | 24.2 | 54.3 Ų | 54.3 | 11% | 0.106 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 109.3 | 171 | -61 | -92.2 | 0 | 0 | 0 | 107.8 | V951 I1010 S1014 L1016 E1034 A1035 L1037 | V951-F1012 HydrophobicContact CB-CD1 3.74Å; V951-F1012 HydrophobicContact CB-CE1 4.18Å; V951-F1012 HydrophobicContact CB-CG 4.46Å; V951-F1012 HydrophobicContact CG1-CD1 4.08Å; V951-F1012 HydrophobicContact CG1-CE1 4.45Å; V951-F1012 HydrophobicContact CG2-CD1 3.82Å; V951-F1012 HydrophobicContact CG2-CE1 3.74Å; V951-F1012 HydrophobicContact CG2-CZ 4.49Å; I1010-F1012 HydrophobicContact CB-CE2 4.5Å; I1010-F1012 HydrophobicContact CG2-CD2 4.32Å; I1010-F1012 HydrophobicContact CG2-CE2 3.6Å; I1010-F1012 HydrophobicContact CG2-CZ 3.91Å; F1012-S1014 VanDerWaalsContact C-N 3.26Å; F1012-S1014 PolarHBondContact O-N 3.45Å; F1012-L1016 HydrophobicContact CB-CB 4.42Å; F1012-L1016 HydrophobicContact CD1-CB 4.2Å; F1012-L1016 HydrophobicContact CD1-CD1 4.31Å; F1012-L1016 HydrophobicContact CD1-CD2 4.39Å; F1012-L1016 HydrophobicContact CD1-CG 4.46Å; F1012-L1016 HydrophobicContact CD2-CD2 4.13Å; F1012-L1016 HydrophobicContact CE1-CD1 3.97Å; F1012-L1016 HydrophobicContact CE1-CD2 4.28Å; F1012-L1016 HydrophobicContact CE1-CG 4.5Å; F1012-L1016 HydrophobicContact CE2-CD2 4Å; F1012-L1016 HydrophobicContact CG-CB 4.33Å; F1012-L1016 HydrophobicContact CG-CD2 4.33Å; F1012-L1016 HydrophobicContact CZ-CD1 4.36Å; F1012-L1016 HydrophobicContact CZ-CD2 4.08Å; F1012-E1034 WeakPolarHBondContact O-CA 3.34Å; F1012-A1035 WeakPolarHBondContact CA-O 3.18Å; F1012-A1035 HydrophobicContact CB-CB 4.43Å; F1012-A1035 WeakPolarHBondContact CB-O 3.45Å; F1012-A1035 HydrophobicContact CD2-CB 4.28Å; F1012-A1035 PolarHBondContact N-O 3.22Å; F1012-A1035 PolarHBondContact O-N 3.01Å; F1012-A1035 VanDerWaalsContact O-N 3.13Å; F1012-L1037 HydrophobicContact CE2-CD1 3.96Å; F1012-L1037 HydrophobicContact CE2-CG 4.45Å |
| 1013 | N | 86.1 | Confident | 83.8 | Confident | 96 Ų | 96 | 51.2 Ų | 51.2 | 51% | 0.513 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -89.7 | 11.6 | 180 | -64.9 | 15.1 | 0 | 0 | 0 | 112 | V951 S1011 | V951-N1013 PolarHBondContact O-N 2.99Å; S1011-N1013 PolarHBondContact OG-OD1 3.48Å |
| 1014 | S | 87.8 | Confident | 85.2 | Confident | 25.4 Ų | 25.4 | 50.6 Ų | 50.6 | 18% | 0.178 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -156.4 | 176.2 | -179.9 | 70.4 | 0 | 0 | 0 | 0 | 109.3 | K953 S954 F1012 L1016 P1033 | K953-S1014 WeakPolarHBondContact CA-OG 3.23Å; K953-S1014 PolarHBondContact N-OG 2.59Å; K953-S1014 WeakPolarHBondContact O-CB 3.41Å; K953-S1014 PolarHBondContact O-OG 2.95Å; S954-S1014 WeakPolarHBondContact CA-OG 3.45Å; S954-S1014 PolarHBondContact N-OG 3.04Å; F1012-S1014 VanDerWaalsContact C-N 3.26Å; F1012-S1014 PolarHBondContact O-N 3.45Å; S1014-L1016 PolarHBondContact O-N 3.1Å; S1014-L1016 VanDerWaalsContact O-N 3.13Å; S1014-P1033 CarbonylContact C-O 3.54Å; S1014-P1033 VanDerWaalsContact CA-O 3.25Å; S1014-P1033 WeakPolarHBondContact CA-O 3.38Å; S1014-P1033 VanDerWaalsContact O-O 3.11Å |
| 1015 | T | 88.1 | Confident | 86.5 | Confident | 69.8 Ų | 69.8 | 49.5 Ų | 49.5 | 43% | 0.428 | 26% | 0.258 | S | S | . | . | trans | -56.7 | 119.3 | -173 | 13.2 | 0 | 0 | 0 | 0 | 112.8 | S954 S955 Q1017 L1032 P1033 | S954-T1015 WeakPolarHBondContact CA-O 3.46Å; S955-T1015 PolarHBondContact N-O 3.02Å; S955-T1015 VanDerWaalsContact N-O 3.12Å; S955-T1015 PolarHBondContact OG-O 3.26Å; T1015-Q1017 HydrophobicContact CG2-CG 4.07Å; T1015-L1032 CarbonylContact C-O 3.48Å; T1015-L1032 WeakPolarHBondContact CA-O 3.41Å; T1015-P1033 WeakPolarHBondContact CA-O 3.3Å; T1015-P1033 HydrophobicContact CG2-CB 4.38Å; T1015-P1033 PolarHBondContact N-O 3.16Å; T1015-P1033 VanDerWaalsContact N-O 3.14Å | ||
| 1016 | L | 91.3 | Very high | 87.7 | Confident | 14.8 Ų | 14.8 | 48.2 Ų | 48.2 | 8% | 0.077 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 117.5 | 165.1 | 171.3 | 64.1 | 0 | 0 | 0 | 108.8 | S955 L957 F1012 S1014 V1018 K1031 L1032 | S955-L1016 WeakPolarHBondContact O-CA 3.29Å; S955-L1016 WeakPolarHBondContact OG-CA 3.41Å; S955-L1016 VanDerWaalsContact OG-CD1 3.3Å; S955-L1016 WeakPolarHBondContact OG-CD1 3.37Å; L957-L1016 HydrophobicContact CD1-CD1 4.12Å; L957-L1016 HydrophobicContact CG-CD1 4.36Å; F1012-L1016 HydrophobicContact CB-CB 4.42Å; F1012-L1016 HydrophobicContact CD1-CB 4.2Å; F1012-L1016 HydrophobicContact CD1-CD1 4.31Å; F1012-L1016 HydrophobicContact CD1-CD2 4.39Å; F1012-L1016 HydrophobicContact CD1-CG 4.46Å; F1012-L1016 HydrophobicContact CD2-CD2 4.13Å; F1012-L1016 HydrophobicContact CE1-CD1 3.97Å; F1012-L1016 HydrophobicContact CE1-CD2 4.28Å; F1012-L1016 HydrophobicContact CE1-CG 4.5Å; F1012-L1016 HydrophobicContact CE2-CD2 4Å; F1012-L1016 HydrophobicContact CG-CB 4.33Å; F1012-L1016 HydrophobicContact CG-CD2 4.33Å; F1012-L1016 HydrophobicContact CZ-CD1 4.36Å; F1012-L1016 HydrophobicContact CZ-CD2 4.08Å; S1014-L1016 PolarHBondContact O-N 3.1Å; S1014-L1016 VanDerWaalsContact O-N 3.13Å; L1016-V1018 HydrophobicContact CD1-CG2 4.16Å; L1016-V1018 HydrophobicContact CG-CG2 4.18Å; L1016-K1031 WeakPolarHBondContact O-CA 3.39Å; L1016-L1032 HydrophobicContact CB-CB 4.39Å; L1016-L1032 HydrophobicContact CD2-CD1 4.28Å; L1016-L1032 HydrophobicContact CG-CD1 4.43Å; L1016-L1032 PolarHBondContact N-O 3.24Å; L1016-L1032 PolarHBondContact O-N 3.13Å |
| 1017 | Q | 92.4 | Very high | 88.5 | Confident | 52 Ų | 52 | 50.3 Ų | 50.3 | 24% | 0.243 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 128 | 175.3 | -133.6 | -176.2 | -16 | 0 | 0 | 109.2 | S955 V956 L957 T1015 N1019 E1029 F1030 K1031 | S955-Q1017 PolarHBondContact O-N 2.99Å; V956-Q1017 CarbonylContact C-O 3.53Å; V956-Q1017 WeakPolarHBondContact CA-O 3.36Å; V956-Q1017 HydrophobicContact CG1-CB 4.45Å; V956-Q1017 HydrophobicContact CG2-CB 4.22Å; L957-Q1017 PolarHBondContact N-O 3.12Å; T1015-Q1017 HydrophobicContact CG2-CG 4.07Å; Q1017-N1019 WeakPolarHBondContact CG-OD1 3.48Å; Q1017-N1019 PolarHBondContact NE2-ND2 3.17Å; Q1017-N1019 PolarHBondContact NE2-OD1 3.14Å; Q1017-E1029 VanDerWaalsContact CD-OE1 3.24Å; Q1017-E1029 HydrophobicContact CG-CG 4.24Å; Q1017-E1029 WeakPolarHBondContact CG-OE1 3.26Å; Q1017-E1029 PolarHBondContact NE2-OE1 3.17Å; Q1017-F1030 CarbonylContact C-O 3.56Å; Q1017-F1030 VanDerWaalsContact CA-O 3.29Å; Q1017-F1030 WeakPolarHBondContact CA-O 3.31Å; Q1017-K1031 HydrophobicContact CG-CG 4.2Å |
| 1018 | V | 92.8 | Very high | 89 | Confident | 28.4 Ų | 28.4 | 48.2 Ų | 48.2 | 17% | 0.172 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 111 | 176.5 | -169.8 | 0 | 0 | 0 | 0 | 109 | L957 L1016 F1020 E1029 F1030 | L957-V1018 HydrophobicContact CB-CG1 4.22Å; L957-V1018 HydrophobicContact CB-CG2 4.35Å; L957-V1018 HydrophobicContact CD1-CG2 4.29Å; L957-V1018 CarbonylContact O-C 3.48Å; L957-V1018 WeakPolarHBondContact O-CA 3.42Å; L1016-V1018 HydrophobicContact CD1-CG2 4.16Å; L1016-V1018 HydrophobicContact CG-CG2 4.18Å; V1018-F1020 HydrophobicContact CB-CE2 4.33Å; V1018-F1020 HydrophobicContact CG1-CD2 4.2Å; V1018-F1020 HydrophobicContact CG1-CE2 3.47Å; V1018-F1020 VanDerWaalsContact CG1-CE2 3.45Å; V1018-F1020 HydrophobicContact CG1-CZ 3.87Å; V1018-E1029 CarbonylContact O-C 3.56Å; V1018-E1029 WeakPolarHBondContact O-CA 3.25Å; V1018-F1030 HydrophobicContact CB-CB 4.23Å; V1018-F1030 PolarHBondContact N-O 3.13Å; V1018-F1030 PolarHBondContact O-N 3.14Å |
| 1019 | N | 92.4 | Very high | 89.3 | Confident | 22.6 Ų | 22.6 | 48.2 Ų | 48.2 | 12% | 0.121 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 123.4 | -175.1 | -64.8 | -22.1 | 0 | 0 | 0 | 110.2 | L957 Y958 W959 Q1017 L1028 E1029 | L957-N1019 PolarHBondContact O-N 3.05Å; Y958-N1019 CarbonylContact C-O 3.53Å; Y958-N1019 WeakPolarHBondContact CA-O 3.24Å; Y958-N1019 HydrophobicContact CD2-CB 4.3Å; W959-N1019 PolarHBondContact N-O 3.13Å; Q1017-N1019 WeakPolarHBondContact CG-OD1 3.48Å; Q1017-N1019 PolarHBondContact NE2-ND2 3.17Å; Q1017-N1019 PolarHBondContact NE2-OD1 3.14Å; N1019-L1028 CarbonylContact C-O 3.5Å; N1019-E1029 WeakPolarHBondContact OD1-CB 3.34Å; N1019-E1029 VanDerWaalsContact OD1-CG 3.26Å; N1019-E1029 WeakPolarHBondContact OD1-CG 3.21Å; N1019-E1029 PolarHBondContact OD1-OE1 3.03Å |
| 1020 | F | 91.8 | Very high | 89.5 | Confident | 61.8 Ų | 61.8 | 48.7 Ų | 48.7 | 27% | 0.271 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 105.5 | 174.4 | -64 | -97.2 | 0 | 0 | 0 | 108.6 | W959 V1018 L1022 N1027 L1028 F1030 | W959-F1020 HydrophobicContact CB-CD1 3.77Å; W959-F1020 HydrophobicContact CB-CE1 4.11Å; W959-F1020 HydrophobicContact CB-CG 4.39Å; W959-F1020 AromaticContact CD2-CD1 3.71Å; W959-F1020 HydrophobicContact CD2-CD1 3.71Å; W959-F1020 HydrophobicContact CD2-CE1 4.24Å; W959-F1020 HydrophobicContact CE3-CB 4.19Å; W959-F1020 AromaticContact CE3-CD1 3.64Å; W959-F1020 HydrophobicContact CE3-CD1 3.64Å; W959-F1020 HydrophobicContact CE3-CE1 4.5Å; W959-F1020 HydrophobicContact CE3-CG 4.39Å; W959-F1020 AromaticContact CG-CD1 3.79Å; W959-F1020 HydrophobicContact CG-CD1 3.79Å; W959-F1020 AromaticContact CG-CE1 4Å; W959-F1020 HydrophobicContact CG-CE1 4.04Å; W959-F1020 HydrophobicContact CZ3-CD1 4.44Å; V1018-F1020 HydrophobicContact CB-CE2 4.33Å; V1018-F1020 HydrophobicContact CG1-CD2 4.2Å; V1018-F1020 HydrophobicContact CG1-CE2 3.47Å; V1018-F1020 VanDerWaalsContact CG1-CE2 3.45Å; V1018-F1020 HydrophobicContact CG1-CZ 3.87Å; F1020-L1022 PolarHBondContact O-N 3.14Å; F1020-N1027 PolarHBondContact O-OD1 3.08Å; F1020-L1028 HydrophobicContact CB-CB 4.16Å; F1020-L1028 HydrophobicContact CD2-CD2 4.36Å; F1020-L1028 HydrophobicContact CD2-CG 4.5Å; F1020-L1028 PolarHBondContact N-O 2.97Å; F1020-L1028 PolarHBondContact O-N 2.89Å; F1020-F1030 AromaticContact CD2-CD2 3.89Å; F1020-F1030 HydrophobicContact CD2-CD2 3.89Å; F1020-F1030 AromaticContact CD2-CE2 3.68Å; F1020-F1030 HydrophobicContact CD2-CE2 3.68Å; F1020-F1030 AromaticContact CE2-CD2 3.65Å; F1020-F1030 HydrophobicContact CE2-CD2 3.65Å; F1020-F1030 AromaticContact CE2-CE2 3.48Å; F1020-F1030 HydrophobicContact CE2-CE2 3.48Å; F1020-F1030 VanDerWaalsContact CE2-CE2 3.46Å |
| 1021 | R | 88.8 | Confident | 89.7 | Confident | 94.6 Ų | 94.6 | 49.8 Ų | 49.8 | 36% | 0.357 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 113 | 170.1 | -168.7 | 173.9 | -173.7 | 153.7 | -1.4 | 109.2 | N928 Y958 W959 P961 D1025 | N928-R1021 PolarHBondContact ND2-NH1 2.72Å; N928-R1021 PolarHBondContact OD1-NH1 3.03Å; Y958-R1021 HydrophobicContact CE2-CB 3.94Å; Y958-R1021 VanDerWaalsContact OH-CB 3.29Å; Y958-R1021 WeakPolarHBondContact OH-CB 3.38Å; Y958-R1021 WeakPolarHBondContact OH-CD 3.42Å; W959-R1021 PolarHBondContact O-N 2.97Å; P961-R1021 VanDerWaalsContact CD-O 3.27Å; P961-R1021 WeakPolarHBondContact CD-O 3.38Å; R1021-D1025 IonicContact CZ-OD1 2.89Å; R1021-D1025 IonicContact NE-OD1 3.43Å; R1021-D1025 PolarHBondContact NE-OD1 3.1Å; R1021-D1025 IonicContact NH2-OD1 3.56Å; R1021-D1025 PolarHBondContact NH2-OD1 3.18Å |
| 1022 | L | 88.4 | Confident | 89.8 | Confident | 9.4 Ų | 9.4 | 50 Ų | 50 | 5% | 0.049 | 25% | 0.249 | C | C | . | . | trans | -93.7 | 166 | 177.3 | -63 | 166.3 | 0 | 0 | 0 | 109.5 | W959 F1020 H1026 L1028 I1115 Q1118 I1119 A1122 | W959-L1022 HydrophobicContact CZ3-CD2 4.22Å; F1020-L1022 PolarHBondContact O-N 3.14Å; L1022-H1026 HydrophobicContact CB-CB 4Å; L1022-H1026 HydrophobicContact CD1-CB 4.45Å; L1022-H1026 PolarHBondContact N-O 3.08Å; L1022-L1028 HydrophobicContact CD1-CB 4.46Å; L1022-I1115 HydrophobicContact CD1-CD1 4.47Å; L1022-I1115 HydrophobicContact CD1-CG1 3.97Å; L1022-Q1118 HydrophobicContact CB-CB 4.1Å; L1022-Q1118 HydrophobicContact CD1-CB 4.11Å; L1022-I1119 HydrophobicContact CD1-CG1 3.64Å; L1022-A1122 HydrophobicContact CD2-CB 3.68Å | ||
| 1023 | P | 83.1 | Confident | 89.7 | Confident | 16.8 Ų | 16.8 | 51.6 Ų | 51.6 | 11% | 0.109 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -58.9 | 162.1 | 171.4 | -24.9 | 36.9 | 0 | 0 | 0 | 112.5 | P961 D1025 F1365 A1366 | P961-P1023 HydrophobicContact CG-CG 4.43Å; P1023-D1025 VanDerWaalsContact C-N 3.28Å; P1023-D1025 PolarHBondContact O-N 2.87Å; P1023-F1365 HydrophobicContact CG-CD2 3.89Å; P1023-F1365 HydrophobicContact CG-CE1 4.41Å; P1023-F1365 HydrophobicContact CG-CE2 3.44Å; P1023-F1365 VanDerWaalsContact CG-CE2 3.44Å; P1023-F1365 HydrophobicContact CG-CG 4.44Å; P1023-F1365 HydrophobicContact CG-CZ 3.73Å; P1023-A1366 HydrophobicContact CB-CB 4.31Å; P1023-A1366 HydrophobicContact CG-CB 4.48Å; P1023-A1366 VanDerWaalsContact CG-O 3.31Å; P1023-A1366 WeakPolarHBondContact CG-O 3.45Å |
| 1024 | E | 80.5 | Confident | 89.8 | Confident | 143.8 Ų | 143.8 | 51.6 Ų | 51.6 | 67% | 0.672 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 30.3 | -177.6 | -58.4 | 165.2 | -175.2 | 0 | 0 | 113.1 | H1026 Q1118 | E1024-H1026 PolarHBondContact O-N 3.08Å; E1024-H1026 VanDerWaalsContact O-N 3.14Å; E1024-Q1118 VanDerWaalsContact CD-NE2 3.27Å; E1024-Q1118 PolarHBondContact OE1-NE2 2.9Å; E1024-Q1118 PolarHBondContact OE2-NE2 3.23Å |
| 1025 | D | 81.5 | Confident | 89.9 | Confident | 120.8 Ų | 120.8 | 50.7 Ų | 50.7 | 65% | 0.646 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 20.2 | 179 | -70.1 | -45 | 0 | 0 | 0 | 116.1 | R1021 P1023 | R1021-D1025 IonicContact CZ-OD1 2.89Å; R1021-D1025 IonicContact NE-OD1 3.43Å; R1021-D1025 PolarHBondContact NE-OD1 3.1Å; R1021-D1025 IonicContact NH2-OD1 3.56Å; R1021-D1025 PolarHBondContact NH2-OD1 3.18Å; P1023-D1025 VanDerWaalsContact C-N 3.28Å; P1023-D1025 PolarHBondContact O-N 2.87Å |
| 1026 | H | 89.9 | Confident | 90.1 | Very high | 27.4 Ų | 27.4 | 51.5 Ų | 51.5 | 13% | 0.127 | 25% | 0.25 | C | S | . | . | trans | -70.5 | 138.6 | 169.9 | -74.3 | -65.5 | 0 | 0 | 0 | 112.1 | L1022 E1024 D1056 A1114 I1115 | L1022-H1026 HydrophobicContact CB-CB 4Å; L1022-H1026 HydrophobicContact CD1-CB 4.45Å; L1022-H1026 PolarHBondContact N-O 3.08Å; E1024-H1026 PolarHBondContact O-N 3.08Å; E1024-H1026 VanDerWaalsContact O-N 3.14Å; H1026-D1056 VanDerWaalsContact CA-OD1 3.25Å; H1026-D1056 WeakPolarHBondContact CA-OD1 3.33Å; H1026-D1056 IonicContact CE1-OD2 3.44Å; H1026-D1056 PolarHBondContact CE1-OD2 2.92Å; H1026-D1056 IonicContact CG-OD1 3.12Å; H1026-D1056 IonicContact CG-OD2 3.95Å; H1026-D1056 IonicContact ND1-OD1 2.97Å; H1026-D1056 PolarHBondContact ND1-OD1 3.05Å; H1026-D1056 VanDerWaalsContact ND1-OD1 3.14Å; H1026-D1056 IonicContact ND1-OD2 3.02Å; H1026-D1056 PolarHBondContact ND1-OD2 3.1Å; H1026-A1114 WeakPolarHBondContact NE2-CB 3.33Å; H1026-I1115 HydrophobicContact CB-CB 4.43Å; H1026-I1115 HydrophobicContact CB-CD1 4.35Å; H1026-I1115 HydrophobicContact CB-CG1 4.12Å | ||
| 1027 | N | 91.5 | Very high | 90.2 | Very high | 49.6 Ų | 49.6 | 53.4 Ų | 53.4 | 27% | 0.265 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 125.3 | -179.3 | -174.2 | 30 | 0 | 0 | 0 | 111.4 | F1020 D1056 I1115 | F1020-N1027 PolarHBondContact O-OD1 3.08Å; N1027-D1056 PolarHBondContact N-OD1 3.08Å; N1027-D1056 PolarHBondContact O-N 3.09Å; N1027-I1115 WeakPolarHBondContact O-CD1 3.38Å |
| 1028 | L | 94.2 | Very high | 90.1 | Very high | 17.6 Ų | 17.6 | 51.4 Ų | 51.4 | 9% | 0.092 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 116.6 | 174.5 | 174 | 73 | 0 | 0 | 0 | 109.4 | N1019 F1020 L1022 F1030 I1053 I1115 I1119 | N1019-L1028 CarbonylContact C-O 3.5Å; F1020-L1028 HydrophobicContact CB-CB 4.16Å; F1020-L1028 HydrophobicContact CD2-CD2 4.36Å; F1020-L1028 HydrophobicContact CD2-CG 4.5Å; F1020-L1028 PolarHBondContact N-O 2.97Å; F1020-L1028 PolarHBondContact O-N 2.89Å; L1022-L1028 HydrophobicContact CD1-CB 4.46Å; L1028-F1030 HydrophobicContact CD1-CE2 4.3Å; L1028-F1030 HydrophobicContact CD1-CZ 4.48Å; L1028-F1030 HydrophobicContact CD2-CE2 3.59Å; L1028-F1030 HydrophobicContact CD2-CZ 3.92Å; L1028-F1030 HydrophobicContact CG-CD2 4.39Å; L1028-F1030 HydrophobicContact CG-CE2 3.65Å; L1028-F1030 HydrophobicContact CG-CZ 4.22Å; L1028-I1053 HydrophobicContact CD1-CG2 3.69Å; L1028-I1115 HydrophobicContact CB-CD1 4.24Å; L1028-I1119 HydrophobicContact CD1-CD1 4.27Å; L1028-I1119 HydrophobicContact CD2-CD1 3.88Å; L1028-I1119 HydrophobicContact CD2-CG1 4.11Å |
| 1029 | E | 94.1 | Very high | 89.8 | Confident | 19.8 Ų | 19.8 | 52.6 Ų | 52.6 | 9% | 0.093 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 132.1 | -174.2 | 165.4 | 177.7 | -127.6 | 0 | 0 | 110.9 | Q1017 V1018 N1019 K1031 I1053 S1054 | Q1017-E1029 VanDerWaalsContact CD-OE1 3.24Å; Q1017-E1029 HydrophobicContact CG-CG 4.24Å; Q1017-E1029 WeakPolarHBondContact CG-OE1 3.26Å; Q1017-E1029 PolarHBondContact NE2-OE1 3.17Å; V1018-E1029 CarbonylContact O-C 3.56Å; V1018-E1029 WeakPolarHBondContact O-CA 3.25Å; N1019-E1029 WeakPolarHBondContact OD1-CB 3.34Å; N1019-E1029 VanDerWaalsContact OD1-CG 3.26Å; N1019-E1029 WeakPolarHBondContact OD1-CG 3.21Å; N1019-E1029 PolarHBondContact OD1-OE1 3.03Å; E1029-K1031 VanDerWaalsContact CD-NZ 3.34Å; E1029-K1031 HydrophobicContact CG-CD 4.28Å; E1029-K1031 HydrophobicContact CG-CG 4.03Å; E1029-K1031 WeakPolarHBondContact OE1-CE 3.42Å; E1029-K1031 IonicContact OE1-NZ 3.37Å; E1029-K1031 PolarHBondContact OE1-NZ 3.2Å; E1029-K1031 WeakPolarHBondContact OE2-CE 3.39Å; E1029-K1031 IonicContact OE2-NZ 2.96Å; E1029-K1031 PolarHBondContact OE2-NZ 2.96Å; E1029-K1031 VanDerWaalsContact OE2-NZ 3.09Å; E1029-I1053 CarbonylContact O-C 3.47Å; E1029-I1053 VanDerWaalsContact O-CA 3.31Å; E1029-I1053 WeakPolarHBondContact O-CA 3.36Å; E1029-S1054 PolarHBondContact N-O 3.22Å; E1029-S1054 PolarHBondContact O-N 3.01Å; E1029-S1054 WeakPolarHBondContact OE2-CB 3.47Å; E1029-S1054 PolarHBondContact OE2-OG 3.39Å |
| 1030 | F | 94.8 | Very high | 89.4 | Confident | 55.2 Ų | 55.2 | 56 Ų | 56 | 24% | 0.242 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 120 | 172.1 | -61.4 | -106.3 | 0 | 0 | 0 | 109 | Q1017 V1018 F1020 L1028 L1032 L1051 V1052 I1053 | Q1017-F1030 CarbonylContact C-O 3.56Å; Q1017-F1030 VanDerWaalsContact CA-O 3.29Å; Q1017-F1030 WeakPolarHBondContact CA-O 3.31Å; V1018-F1030 HydrophobicContact CB-CB 4.23Å; V1018-F1030 PolarHBondContact N-O 3.13Å; V1018-F1030 PolarHBondContact O-N 3.14Å; F1020-F1030 AromaticContact CD2-CD2 3.89Å; F1020-F1030 HydrophobicContact CD2-CD2 3.89Å; F1020-F1030 AromaticContact CD2-CE2 3.68Å; F1020-F1030 HydrophobicContact CD2-CE2 3.68Å; F1020-F1030 AromaticContact CE2-CD2 3.65Å; F1020-F1030 HydrophobicContact CE2-CD2 3.65Å; F1020-F1030 AromaticContact CE2-CE2 3.48Å; F1020-F1030 HydrophobicContact CE2-CE2 3.48Å; F1020-F1030 VanDerWaalsContact CE2-CE2 3.46Å; L1028-F1030 HydrophobicContact CD1-CE2 4.3Å; L1028-F1030 HydrophobicContact CD1-CZ 4.48Å; L1028-F1030 HydrophobicContact CD2-CE2 3.59Å; L1028-F1030 HydrophobicContact CD2-CZ 3.92Å; L1028-F1030 HydrophobicContact CG-CD2 4.39Å; L1028-F1030 HydrophobicContact CG-CE2 3.65Å; L1028-F1030 HydrophobicContact CG-CZ 4.22Å; F1030-L1032 HydrophobicContact CB-CD1 4.42Å; F1030-L1051 HydrophobicContact CB-CD1 4.34Å; F1030-L1051 HydrophobicContact CD1-CD1 4.21Å; F1030-V1052 CarbonylContact C-O 3.53Å; F1030-V1052 WeakPolarHBondContact CA-O 3.37Å; F1030-I1053 HydrophobicContact CD1-CB 4.43Å; F1030-I1053 HydrophobicContact CD1-CD1 4.03Å; F1030-I1053 HydrophobicContact CD1-CG1 3.75Å; F1030-I1053 HydrophobicContact CD1-CG2 4.15Å; F1030-I1053 HydrophobicContact CE1-CB 4.49Å; F1030-I1053 HydrophobicContact CE1-CD1 3.72Å; F1030-I1053 HydrophobicContact CE1-CG1 3.91Å; F1030-I1053 HydrophobicContact CE1-CG2 3.93Å; F1030-I1053 HydrophobicContact CG-CG2 4.42Å; F1030-I1053 HydrophobicContact CZ-CG2 4.17Å |
| 1031 | K | 93.7 | Very high | 88.8 | Confident | 78.8 Ų | 78.8 | 58.4 Ų | 58.4 | 34% | 0.343 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 121.9 | 175.8 | -71 | 177.3 | 175.1 | 153.8 | 0 | 110.4 | L1016 Q1017 E1029 L1051 V1052 | L1016-K1031 WeakPolarHBondContact O-CA 3.39Å; Q1017-K1031 HydrophobicContact CG-CG 4.2Å; E1029-K1031 VanDerWaalsContact CD-NZ 3.34Å; E1029-K1031 HydrophobicContact CG-CD 4.28Å; E1029-K1031 HydrophobicContact CG-CG 4.03Å; E1029-K1031 WeakPolarHBondContact OE1-CE 3.42Å; E1029-K1031 IonicContact OE1-NZ 3.37Å; E1029-K1031 PolarHBondContact OE1-NZ 3.2Å; E1029-K1031 WeakPolarHBondContact OE2-CE 3.39Å; E1029-K1031 IonicContact OE2-NZ 2.96Å; E1029-K1031 PolarHBondContact OE2-NZ 2.96Å; E1029-K1031 VanDerWaalsContact OE2-NZ 3.09Å; K1031-L1051 WeakPolarHBondContact O-CA 3.33Å; K1031-V1052 HydrophobicContact CB-CB 4.38Å; K1031-V1052 PolarHBondContact N-O 3.14Å; K1031-V1052 PolarHBondContact O-N 3.21Å |
| 1032 | L | 92.8 | Very high | 88.2 | Confident | 22 Ų | 22 | 55.7 Ų | 55.7 | 12% | 0.115 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 108 | 173.6 | -59.5 | 98.7 | 0 | 0 | 0 | 109 | T1015 L1016 F1030 E1034 A1035 A1048 L1051 | T1015-L1032 CarbonylContact C-O 3.48Å; T1015-L1032 WeakPolarHBondContact CA-O 3.41Å; L1016-L1032 HydrophobicContact CB-CB 4.39Å; L1016-L1032 HydrophobicContact CD2-CD1 4.28Å; L1016-L1032 HydrophobicContact CG-CD1 4.43Å; L1016-L1032 PolarHBondContact N-O 3.24Å; L1016-L1032 PolarHBondContact O-N 3.13Å; F1030-L1032 HydrophobicContact CB-CD1 4.42Å; L1032-E1034 VanDerWaalsContact C-N 3.29Å; L1032-E1034 PolarHBondContact O-N 3Å; L1032-A1035 HydrophobicContact CB-CB 4.19Å; L1032-A1035 HydrophobicContact CD2-CB 4.08Å; L1032-A1048 HydrophobicContact CD2-CB 3.81Å; L1032-L1051 HydrophobicContact CD1-CD1 3.87Å; L1032-L1051 HydrophobicContact CD2-CB 4.4Å; L1032-L1051 HydrophobicContact CD2-CD1 4.07Å; L1032-L1051 HydrophobicContact CG-CB 4.46Å; L1032-L1051 HydrophobicContact CG-CD1 3.69Å |
| 1033 | P | 87.9 | Confident | 88.1 | Confident | 57.8 Ų | 57.8 | 57.6 Ų | 57.6 | 38% | 0.375 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -60.8 | -37 | -179.3 | -25.5 | 35.4 | 0 | 0 | 0 | 113.9 | S1014 T1015 S1050 | S1014-P1033 CarbonylContact C-O 3.54Å; S1014-P1033 VanDerWaalsContact CA-O 3.25Å; S1014-P1033 WeakPolarHBondContact CA-O 3.38Å; S1014-P1033 VanDerWaalsContact O-O 3.11Å; T1015-P1033 WeakPolarHBondContact CA-O 3.3Å; T1015-P1033 HydrophobicContact CG2-CB 4.38Å; T1015-P1033 PolarHBondContact N-O 3.16Å; T1015-P1033 VanDerWaalsContact N-O 3.14Å; P1033-S1050 VanDerWaalsContact CD-O 3.3Å; P1033-S1050 WeakPolarHBondContact CD-O 3.32Å |
| 1034 | E | 88.3 | Confident | 88.5 | Confident | 95 Ų | 95 | 58.6 Ų | 58.6 | 44% | 0.444 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -145.7 | 136.9 | 173.2 | -67.1 | -178.8 | 157.5 | 0 | 0 | 108.1 | F1012 L1032 A1048 N1049 | F1012-E1034 WeakPolarHBondContact O-CA 3.34Å; L1032-E1034 VanDerWaalsContact C-N 3.29Å; L1032-E1034 PolarHBondContact O-N 3Å; E1034-A1048 WeakPolarHBondContact O-CA 3.21Å; E1034-A1048 WeakPolarHBondContact O-CB 3.36Å; E1034-N1049 PolarHBondContact OE2-ND2 3.09Å; E1034-N1049 VanDerWaalsContact OE2-ND2 3.13Å |
| 1035 | A | 90.5 | Very high | 89.1 | Confident | 7.4 Ų | 7.4 | 52.2 Ų | 52.2 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 141.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F1012 L1032 E1047 A1048 | F1012-A1035 WeakPolarHBondContact CA-O 3.18Å; F1012-A1035 HydrophobicContact CB-CB 4.43Å; F1012-A1035 WeakPolarHBondContact CB-O 3.45Å; F1012-A1035 HydrophobicContact CD2-CB 4.28Å; F1012-A1035 PolarHBondContact N-O 3.22Å; F1012-A1035 PolarHBondContact O-N 3.01Å; F1012-A1035 VanDerWaalsContact O-N 3.13Å; L1032-A1035 HydrophobicContact CB-CB 4.19Å; L1032-A1035 HydrophobicContact CD2-CB 4.08Å; A1035-E1047 CarbonylContact C-O 3.48Å; A1035-E1047 WeakPolarHBondContact CA-O 3.42Å; A1035-A1048 HydrophobicContact CB-CB 4.34Å |
| 1036 | K | 92.4 | Very high | 89.6 | Confident | 86.8 Ų | 86.8 | 49.4 Ų | 49.4 | 38% | 0.377 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 112.8 | 177.7 | 176.3 | 176.2 | 154.1 | -136.3 | 0 | 109.4 | I1009 I1010 I1046 E1047 | I1009-K1036 HydrophobicContact CG2-CG 4.37Å; I1010-K1036 CarbonylContact O-C 3.5Å; I1010-K1036 WeakPolarHBondContact O-CA 3.28Å; K1036-I1046 CarbonylContact O-C 3.55Å; K1036-I1046 WeakPolarHBondContact O-CA 3.41Å; K1036-E1047 HydrophobicContact CB-CB 4.35Å; K1036-E1047 WeakPolarHBondContact CD-OE2 3.49Å; K1036-E1047 VanDerWaalsContact CE-OE2 3.25Å; K1036-E1047 WeakPolarHBondContact CE-OE2 3.03Å; K1036-E1047 PolarHBondContact N-O 2.9Å; K1036-E1047 IonicContact NZ-OE1 3.65Å; K1036-E1047 PolarHBondContact NZ-OE1 3.39Å; K1036-E1047 IonicContact NZ-OE2 3.07Å; K1036-E1047 PolarHBondContact NZ-OE2 2.93Å; K1036-E1047 PolarHBondContact O-N 3.14Å |
| 1037 | L | 91.6 | Very high | 89.8 | Confident | 54 Ų | 54 | 51.4 Ų | 51.4 | 28% | 0.283 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 130.7 | 174.7 | -61.3 | 156 | 0 | 0 | 0 | 108.3 | I1009 I1010 F1012 L1039 S1045 I1046 | I1009-L1037 CarbonylContact C-O 3.55Å; I1009-L1037 WeakPolarHBondContact CA-O 3.41Å; I1010-L1037 HydrophobicContact CB-CB 4.21Å; I1010-L1037 HydrophobicContact CB-CD1 4.42Å; I1010-L1037 HydrophobicContact CD1-CD1 4.4Å; I1010-L1037 HydrophobicContact CD1-CD2 4.05Å; I1010-L1037 PolarHBondContact N-O 3.07Å; I1010-L1037 PolarHBondContact O-N 3.02Å; I1010-L1037 VanDerWaalsContact O-O 3.13Å; F1012-L1037 HydrophobicContact CE2-CD1 3.96Å; F1012-L1037 HydrophobicContact CE2-CG 4.45Å; L1037-L1039 HydrophobicContact CD1-CD2 3.83Å; L1037-L1039 HydrophobicContact CD1-CG 4.23Å; L1037-L1039 HydrophobicContact CD2-CD1 4.18Å; L1037-L1039 HydrophobicContact CD2-CD2 4.35Å; L1037-L1039 HydrophobicContact CD2-CG 4.22Å; L1037-L1039 HydrophobicContact CG-CD1 4.47Å; L1037-L1039 HydrophobicContact CG-CD2 4.14Å; L1037-L1039 HydrophobicContact CG-CG 4Å; L1037-S1045 CarbonylContact C-O 3.52Å; L1037-S1045 WeakPolarHBondContact CA-O 3.4Å; L1037-I1046 HydrophobicContact CD1-CD1 4.17Å; L1037-I1046 HydrophobicContact CD1-CG1 3.48Å; L1037-I1046 VanDerWaalsContact CD1-CG1 3.48Å; L1037-I1046 HydrophobicContact CD2-CB 4.08Å; L1037-I1046 HydrophobicContact CD2-CD1 3.96Å; L1037-I1046 HydrophobicContact CD2-CG1 3.62Å; L1037-I1046 VanDerWaalsContact CD2-CG1 3.49Å; L1037-I1046 HydrophobicContact CD2-CG2 3.79Å |
| 1038 | S | 90.4 | Very high | 89.8 | Confident | 10.4 Ų | 10.4 | 49.4 Ų | 49.4 | 7% | 0.073 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 140.3 | 171.4 | 95.7 | 0 | 0 | 0 | 0 | 110.8 | S1008 K1040 P1044 S1045 | S1008-S1038 CarbonylContact O-C 3.56Å; S1008-S1038 WeakPolarHBondContact O-CA 3.32Å; S1038-K1040 WeakPolarHBondContact OG-CE 3.48Å; S1038-P1044 CarbonylContact O-C 3.54Å; S1038-P1044 VanDerWaalsContact O-CA 3.28Å; S1038-P1044 WeakPolarHBondContact O-CA 3.29Å; S1038-S1045 WeakPolarHBondContact CB-OG 3.23Å; S1038-S1045 PolarHBondContact N-O 2.93Å; S1038-S1045 PolarHBondContact O-N 3.15Å; S1038-S1045 PolarHBondContact OG-OG 2.96Å |
| 1039 | L | 87.8 | Confident | 89.6 | Confident | 53 Ų | 53 | 53.7 Ų | 53.7 | 28% | 0.277 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 96.3 | 174.2 | -159.9 | 93.4 | 0 | 0 | 0 | 107 | W1003 K1007 S1008 I1010 L1037 N1043 P1044 | W1003-L1039 HydrophobicContact CE3-CD2 4.3Å; K1007-L1039 WeakPolarHBondContact CA-O 3.34Å; S1008-L1039 PolarHBondContact N-O 3.04Å; S1008-L1039 PolarHBondContact O-N 3.02Å; S1008-L1039 WeakPolarHBondContact OG-CB 3.41Å; I1010-L1039 HydrophobicContact CD1-CD1 4.32Å; L1037-L1039 HydrophobicContact CD1-CD2 3.83Å; L1037-L1039 HydrophobicContact CD1-CG 4.23Å; L1037-L1039 HydrophobicContact CD2-CD1 4.18Å; L1037-L1039 HydrophobicContact CD2-CD2 4.35Å; L1037-L1039 HydrophobicContact CD2-CG 4.22Å; L1037-L1039 HydrophobicContact CG-CD1 4.47Å; L1037-L1039 HydrophobicContact CG-CD2 4.14Å; L1037-L1039 HydrophobicContact CG-CG 4Å; L1039-N1043 WeakPolarHBondContact CA-O 3.31Å; L1039-P1044 HydrophobicContact CD1-CB 4.07Å; L1039-P1044 HydrophobicContact CD2-CB 3.96Å |
| 1040 | K | 83 | Confident | 89.5 | Confident | 95 Ų | 95 | 54.3 Ų | 54.3 | 41% | 0.413 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 113.3 | 177.5 | -62.2 | 173.5 | -172.1 | 167.3 | 0 | 108.1 | K1007 S1038 G1042 N1043 | K1007-K1040 HydrophobicContact CG-CG 4.31Å; S1038-K1040 WeakPolarHBondContact OG-CE 3.48Å; K1040-G1042 VanDerWaalsContact C-N 3.26Å; K1040-G1042 PolarHBondContact O-N 3.03Å; K1040-N1043 HydrophobicContact CB-CB 4.41Å; K1040-N1043 PolarHBondContact N-O 3.26Å; K1040-N1043 CarbonylContact O-C 3.51Å; K1040-N1043 WeakPolarHBondContact O-CB 3.42Å; K1040-N1043 PolarHBondContact O-N 3.11Å |
| 1041 | F | 79.3 | Confident | 89.5 | Confident | 110.8 Ų | 110.8 | 53 Ų | 53 | 49% | 0.486 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 39.7 | 52.4 | 177.5 | -63.2 | -73 | 0 | 0 | 0 | 113.6 | Y944 K1004 S1005 S1006 N1043 | Y944-F1041 AromaticContact CD1-CE1 3.89Å; Y944-F1041 HydrophobicContact CD1-CE1 4.15Å; Y944-F1041 AromaticContact CD1-CZ 3.92Å; Y944-F1041 HydrophobicContact CD1-CZ 4.14Å; Y944-F1041 HydrophobicContact CD2-CE1 4.28Å; Y944-F1041 HydrophobicContact CD2-CZ 4.38Å; Y944-F1041 HydrophobicContact CE1-CE1 4.31Å; Y944-F1041 AromaticContact CE1-CZ 3.85Å; Y944-F1041 HydrophobicContact CE1-CZ 3.95Å; Y944-F1041 HydrophobicContact CE2-CE1 4.35Å; Y944-F1041 HydrophobicContact CE2-CZ 4.24Å; Y944-F1041 AromaticContact CG-CE1 3.86Å; Y944-F1041 HydrophobicContact CG-CE1 4.09Å; Y944-F1041 HydrophobicContact CG-CZ 4.39Å; Y944-F1041 AromaticContact CZ-CZ 3.81Å; K1004-F1041 HydrophobicContact CB-CD1 4.47Å; K1004-F1041 HydrophobicContact CB-CE1 4.5Å; K1004-F1041 HydrophobicContact CG-CD1 4.4Å; K1004-F1041 HydrophobicContact CG-CE1 3.94Å; K1004-F1041 HydrophobicContact CG-CE2 4.43Å; K1004-F1041 HydrophobicContact CG-CZ 3.96Å; K1004-F1041 CarbonylContact O-C 3.57Å; K1004-F1041 VanDerWaalsContact O-C 3.29Å; K1004-F1041 WeakPolarHBondContact O-CA 3.4Å; K1004-F1041 WeakPolarHBondContact O-CB 3.39Å; S1005-F1041 WeakPolarHBondContact O-CD1 3.35Å; S1005-F1041 WeakPolarHBondContact O-CE1 3.28Å; S1006-F1041 PolarHBondContact O-N 3.12Å; S1006-F1041 VanDerWaalsContact O-N 3.07Å; F1041-N1043 VanDerWaalsContact C-N 3.32Å; F1041-N1043 PolarHBondContact O-N 2.85Å |
| 1042 | G | 77.5 | Confident | 89.5 | Confident | 37.6 Ų | 37.6 | 50.8 Ų | 50.8 | 39% | 0.388 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85 | -5.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116 | K1040 P1044 K1070 | K1040-G1042 VanDerWaalsContact C-N 3.26Å; K1040-G1042 PolarHBondContact O-N 3.03Å; G1042-P1044 VanDerWaalsContact C-CD 3.48Å; G1042-P1044 WeakPolarHBondContact O-CD 3.4Å; G1042-K1070 WeakPolarHBondContact O-CD 3.37Å |
| 1043 | N | 86.3 | Confident | 89.7 | Confident | 49.6 Ų | 49.6 | 51 Ų | 51 | 27% | 0.265 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 106.7 | 177.9 | -65.3 | -40.1 | 0 | 0 | 0 | 110.9 | L1039 K1040 F1041 K1070 P1072 | L1039-N1043 WeakPolarHBondContact CA-O 3.31Å; K1040-N1043 HydrophobicContact CB-CB 4.41Å; K1040-N1043 PolarHBondContact N-O 3.26Å; K1040-N1043 CarbonylContact O-C 3.51Å; K1040-N1043 WeakPolarHBondContact O-CB 3.42Å; K1040-N1043 PolarHBondContact O-N 3.11Å; F1041-N1043 VanDerWaalsContact C-N 3.32Å; F1041-N1043 PolarHBondContact O-N 2.85Å; N1043-K1070 WeakPolarHBondContact CA-O 3.33Å; N1043-K1070 VanDerWaalsContact CB-O 3.24Å; N1043-K1070 WeakPolarHBondContact CB-O 3.34Å; N1043-P1072 WeakPolarHBondContact OD1-CD 3.43Å |
| 1044 | P | 91.5 | Very high | 90 | Very high | 38 Ų | 38 | 48.6 Ų | 48.6 | 25% | 0.247 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 145.8 | 177.7 | 30.2 | -36.7 | 0 | 0 | 0 | 112.4 | S1038 L1039 G1042 E1069 K1070 W1095 | S1038-P1044 CarbonylContact O-C 3.54Å; S1038-P1044 VanDerWaalsContact O-CA 3.28Å; S1038-P1044 WeakPolarHBondContact O-CA 3.29Å; L1039-P1044 HydrophobicContact CD1-CB 4.07Å; L1039-P1044 HydrophobicContact CD2-CB 3.96Å; G1042-P1044 VanDerWaalsContact C-CD 3.48Å; G1042-P1044 WeakPolarHBondContact O-CD 3.4Å; P1044-E1069 WeakPolarHBondContact O-CA 3.37Å; P1044-K1070 HydrophobicContact CG-CB 4.13Å; P1044-K1070 HydrophobicContact CG-CD 4.47Å; P1044-K1070 PolarHBondContact O-N 3.04Å; P1044-W1095 HydrophobicContact CB-CH2 4.42Å; P1044-W1095 HydrophobicContact CG-CH2 3.51Å; P1044-W1095 VanDerWaalsContact CG-CH2 3.46Å; P1044-W1095 HydrophobicContact CG-CZ2 4.3Å; P1044-W1095 HydrophobicContact CG-CZ3 4.09Å |
| 1045 | S | 92.4 | Very high | 90.3 | Very high | 9 Ų | 9 | 44.2 Ų | 44.2 | 6% | 0.063 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 150.7 | 164 | 80.5 | 0 | 0 | 0 | 0 | 111.4 | L1037 S1038 I1068 | L1037-S1045 CarbonylContact C-O 3.52Å; L1037-S1045 WeakPolarHBondContact CA-O 3.4Å; S1038-S1045 WeakPolarHBondContact CB-OG 3.23Å; S1038-S1045 PolarHBondContact N-O 2.93Å; S1038-S1045 PolarHBondContact O-N 3.15Å; S1038-S1045 PolarHBondContact OG-OG 2.96Å; S1045-I1068 CarbonylContact C-O 3.53Å; S1045-I1068 WeakPolarHBondContact CA-O 3.4Å |
| 1046 | I | 92.5 | Very high | 90.3 | Very high | 63.2 Ų | 63.2 | 45.6 Ų | 45.6 | 32% | 0.324 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 124.4 | 179.8 | -56.5 | -177.3 | 0 | 0 | 0 | 107 | K1036 L1037 C1067 I1068 | K1036-I1046 CarbonylContact O-C 3.55Å; K1036-I1046 WeakPolarHBondContact O-CA 3.41Å; L1037-I1046 HydrophobicContact CD1-CD1 4.17Å; L1037-I1046 HydrophobicContact CD1-CG1 3.48Å; L1037-I1046 VanDerWaalsContact CD1-CG1 3.48Å; L1037-I1046 HydrophobicContact CD2-CB 4.08Å; L1037-I1046 HydrophobicContact CD2-CD1 3.96Å; L1037-I1046 HydrophobicContact CD2-CG1 3.62Å; L1037-I1046 VanDerWaalsContact CD2-CG1 3.49Å; L1037-I1046 HydrophobicContact CD2-CG2 3.79Å; I1046-C1067 CarbonylContact O-C 3.53Å; I1046-C1067 VanDerWaalsContact O-CA 3.29Å; I1046-C1067 WeakPolarHBondContact O-CA 3.33Å; I1046-I1068 HydrophobicContact CB-CB 4.36Å; I1046-I1068 PolarHBondContact N-O 2.96Å; I1046-I1068 PolarHBondContact O-N 2.83Å |
| 1047 | E | 92.6 | Very high | 90.1 | Very high | 69 Ų | 69 | 46.2 Ų | 46.2 | 32% | 0.322 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 129.1 | 175 | -68.8 | 163.4 | -164.1 | 0 | 0 | 108.1 | A1035 K1036 V1066 C1067 | A1035-E1047 CarbonylContact C-O 3.48Å; A1035-E1047 WeakPolarHBondContact CA-O 3.42Å; K1036-E1047 HydrophobicContact CB-CB 4.35Å; K1036-E1047 WeakPolarHBondContact CD-OE2 3.49Å; K1036-E1047 VanDerWaalsContact CE-OE2 3.25Å; K1036-E1047 WeakPolarHBondContact CE-OE2 3.03Å; K1036-E1047 PolarHBondContact N-O 2.9Å; K1036-E1047 IonicContact NZ-OE1 3.65Å; K1036-E1047 PolarHBondContact NZ-OE1 3.39Å; K1036-E1047 IonicContact NZ-OE2 3.07Å; K1036-E1047 PolarHBondContact NZ-OE2 2.93Å; K1036-E1047 PolarHBondContact O-N 3.14Å; E1047-V1066 CarbonylContact C-O 3.4Å; E1047-V1066 WeakPolarHBondContact CA-O 3.35Å; E1047-C1067 HydrophobicContact CG-CB 4.41Å |
| 1048 | A | 92.4 | Very high | 90.1 | Very high | 6.8 Ų | 6.8 | 47.2 Ų | 47.2 | 6% | 0.056 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 137 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1032 E1034 A1035 S1050 V1066 | L1032-A1048 HydrophobicContact CD2-CB 3.81Å; E1034-A1048 WeakPolarHBondContact O-CA 3.21Å; E1034-A1048 WeakPolarHBondContact O-CB 3.36Å; A1035-A1048 HydrophobicContact CB-CB 4.34Å; A1048-S1050 VanDerWaalsContact C-N 3.34Å; A1048-V1066 PolarHBondContact N-O 3.2Å; A1048-V1066 PolarHBondContact O-N 3.03Å |
| 1049 | N | 90.4 | Very high | 90.2 | Very high | 108.6 Ų | 108.6 | 49.8 Ų | 49.8 | 58% | 0.581 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71 | -35.2 | -178.9 | -72.8 | -20.8 | 0 | 0 | 0 | 112.4 | E1034 T1064 G1065 | E1034-N1049 PolarHBondContact OE2-ND2 3.09Å; E1034-N1049 VanDerWaalsContact OE2-ND2 3.13Å; N1049-T1064 CarbonylContact O-C 3.33Å; N1049-T1064 WeakPolarHBondContact O-CA 3.37Å; N1049-G1065 PolarHBondContact O-N 3.06Å |
| 1050 | S | 92 | Very high | 90.4 | Very high | 32.2 Ų | 32.2 | 47.3 Ų | 47.3 | 23% | 0.225 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 145.7 | 175.8 | -179.6 | 0 | 0 | 0 | 0 | 110.3 | P1033 A1048 L1063 | P1033-S1050 VanDerWaalsContact CD-O 3.3Å; P1033-S1050 WeakPolarHBondContact CD-O 3.32Å; A1048-S1050 VanDerWaalsContact C-N 3.34Å; S1050-L1063 CarbonylContact C-O 3.52Å; S1050-L1063 VanDerWaalsContact CA-O 3.29Å; S1050-L1063 WeakPolarHBondContact CA-O 3.4Å; S1050-L1063 PolarHBondContact OG-O 2.86Å; S1050-L1063 VanDerWaalsContact OG-O 3.14Å |
| 1051 | L | 94.2 | Very high | 91 | Very high | 27.4 Ų | 27.4 | 45.2 Ų | 45.2 | 14% | 0.143 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 117.5 | 172 | 166.3 | 63.2 | 0 | 0 | 0 | 108.4 | F1030 K1031 L1032 I1053 L1063 V1066 | F1030-L1051 HydrophobicContact CB-CD1 4.34Å; F1030-L1051 HydrophobicContact CD1-CD1 4.21Å; K1031-L1051 WeakPolarHBondContact O-CA 3.33Å; L1032-L1051 HydrophobicContact CD1-CD1 3.87Å; L1032-L1051 HydrophobicContact CD2-CB 4.4Å; L1032-L1051 HydrophobicContact CD2-CD1 4.07Å; L1032-L1051 HydrophobicContact CG-CB 4.46Å; L1032-L1051 HydrophobicContact CG-CD1 3.69Å; L1051-I1053 HydrophobicContact CD1-CG1 4.21Å; L1051-I1053 HydrophobicContact CD2-CD1 4.45Å; L1051-I1053 HydrophobicContact CD2-CG1 4.48Å; L1051-I1053 HydrophobicContact CG-CG1 4.18Å; L1051-L1063 HydrophobicContact CB-CB 4.27Å; L1051-L1063 HydrophobicContact CB-CD1 4.37Å; L1051-L1063 HydrophobicContact CD2-CD1 4.1Å; L1051-L1063 HydrophobicContact CG-CD1 4.07Å; L1051-L1063 PolarHBondContact N-O 2.92Å; L1051-L1063 WeakPolarHBondContact O-CD1 3.43Å; L1051-L1063 PolarHBondContact O-N 3.07Å; L1051-V1066 HydrophobicContact CB-CG2 4.38Å |
| 1052 | V | 94.7 | Very high | 91.7 | Very high | 33.8 Ų | 33.8 | 42.3 Ų | 42.3 | 21% | 0.205 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 125.4 | 174.1 | 176 | 0 | 0 | 0 | 0 | 108.6 | F1030 K1031 P1059 F1061 N1062 | F1030-V1052 CarbonylContact C-O 3.53Å; F1030-V1052 WeakPolarHBondContact CA-O 3.37Å; K1031-V1052 HydrophobicContact CB-CB 4.38Å; K1031-V1052 PolarHBondContact N-O 3.14Å; K1031-V1052 PolarHBondContact O-N 3.21Å; V1052-P1059 HydrophobicContact CG1-CB 3.86Å; V1052-F1061 CarbonylContact C-O 3.52Å; V1052-F1061 WeakPolarHBondContact CA-O 3.36Å; V1052-N1062 WeakPolarHBondContact CG1-OD1 3.39Å; V1052-N1062 WeakPolarHBondContact CG2-OD1 3.1Å |
| 1053 | I | 95.6 | Very high | 92.5 | Very high | 26.2 Ų | 26.2 | 41.4 Ų | 41.4 | 13% | 0.134 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 109.2 | 175.7 | -47.2 | 176.1 | 0 | 0 | 0 | 108 | L1028 E1029 F1030 L1051 V1060 F1061 L1063 | L1028-I1053 HydrophobicContact CD1-CG2 3.69Å; E1029-I1053 CarbonylContact O-C 3.47Å; E1029-I1053 VanDerWaalsContact O-CA 3.31Å; E1029-I1053 WeakPolarHBondContact O-CA 3.36Å; F1030-I1053 HydrophobicContact CD1-CB 4.43Å; F1030-I1053 HydrophobicContact CD1-CD1 4.03Å; F1030-I1053 HydrophobicContact CD1-CG1 3.75Å; F1030-I1053 HydrophobicContact CD1-CG2 4.15Å; F1030-I1053 HydrophobicContact CE1-CB 4.49Å; F1030-I1053 HydrophobicContact CE1-CD1 3.72Å; F1030-I1053 HydrophobicContact CE1-CG1 3.91Å; F1030-I1053 HydrophobicContact CE1-CG2 3.93Å; F1030-I1053 HydrophobicContact CG-CG2 4.42Å; F1030-I1053 HydrophobicContact CZ-CG2 4.17Å; L1051-I1053 HydrophobicContact CD1-CG1 4.21Å; L1051-I1053 HydrophobicContact CD2-CD1 4.45Å; L1051-I1053 HydrophobicContact CD2-CG1 4.48Å; L1051-I1053 HydrophobicContact CG-CG1 4.18Å; I1053-V1060 PolarHBondContact O-N 2.99Å; I1053-V1060 VanDerWaalsContact O-N 3.09Å; I1053-F1061 HydrophobicContact CB-CB 3.95Å; I1053-F1061 HydrophobicContact CB-CD2 3.97Å; I1053-F1061 HydrophobicContact CB-CG 4.37Å; I1053-F1061 HydrophobicContact CD1-CB 4.07Å; I1053-F1061 HydrophobicContact CD1-CD2 4.41Å; I1053-F1061 HydrophobicContact CD1-CG 4.36Å; I1053-F1061 HydrophobicContact CG1-CB 4.15Å; I1053-F1061 HydrophobicContact CG2-CD2 4.2Å; I1053-F1061 PolarHBondContact N-O 3.15Å; I1053-F1061 PolarHBondContact O-N 2.96Å; I1053-F1061 VanDerWaalsContact O-N 3.13Å; I1053-L1063 HydrophobicContact CD1-CD1 4.44Å |
| 1054 | S | 94.7 | Very high | 92.7 | Very high | 7.4 Ų | 7.4 | 41.3 Ų | 41.3 | 5% | 0.052 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 133.2 | 178 | -54.2 | 0 | 0 | 0 | 0 | 111 | E1029 H1058 | E1029-S1054 PolarHBondContact N-O 3.22Å; E1029-S1054 PolarHBondContact O-N 3.01Å; E1029-S1054 WeakPolarHBondContact OE2-CB 3.47Å; E1029-S1054 PolarHBondContact OE2-OG 3.39Å; S1054-H1058 CarbonylContact C-O 3.51Å; S1054-H1058 WeakPolarHBondContact CA-O 3.26Å |
| 1055 | C | 93.8 | Very high | 92.6 | Very high | 1.4 Ų | 1.4 | 41.2 Ų | 41.2 | 1% | 0.009 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 119.4 | 175.6 | -61.2 | 0 | 0 | 0 | 0 | 107.9 | S1057 H1058 V1060 Y1110 I1115 | C1055-S1057 VanDerWaalsContact C-N 3.28Å; C1055-S1057 PolarHBondContact O-N 3.23Å; C1055-H1058 PolarHBondContact N-O 3.05Å; C1055-H1058 WeakPolarHBondContact O-CB 3.35Å; C1055-H1058 PolarHBondContact O-N 3.05Å; C1055-V1060 HydrophobicContact CB-CG2 3.9Å; C1055-Y1110 VanDerWaalsContact C-OH 3.29Å; C1055-Y1110 HydrophobicContact CB-CE1 4.16Å; C1055-Y1110 VanDerWaalsContact CB-OH 3.31Å; C1055-Y1110 WeakPolarHBondContact CB-OH 3.27Å; C1055-Y1110 PolarHBondContact O-OH 3.17Å; C1055-I1115 HydrophobicContact CB-CD1 3.84Å; C1055-I1115 HydrophobicContact CB-CG2 4.26Å |
| 1056 | D | 91.3 | Very high | 92.5 | Very high | 37 Ų | 37 | 41.1 Ų | 41.1 | 20% | 0.198 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 48.1 | -175.6 | -53.9 | -36.7 | 0 | 0 | 0 | 112.5 | H1026 N1027 H1058 Y1110 | H1026-D1056 VanDerWaalsContact CA-OD1 3.25Å; H1026-D1056 WeakPolarHBondContact CA-OD1 3.33Å; H1026-D1056 IonicContact CE1-OD2 3.44Å; H1026-D1056 PolarHBondContact CE1-OD2 2.92Å; H1026-D1056 IonicContact CG-OD1 3.12Å; H1026-D1056 IonicContact CG-OD2 3.95Å; H1026-D1056 IonicContact ND1-OD1 2.97Å; H1026-D1056 PolarHBondContact ND1-OD1 3.05Å; H1026-D1056 VanDerWaalsContact ND1-OD1 3.14Å; H1026-D1056 IonicContact ND1-OD2 3.02Å; H1026-D1056 PolarHBondContact ND1-OD2 3.1Å; N1027-D1056 PolarHBondContact N-OD1 3.08Å; N1027-D1056 PolarHBondContact O-N 3.09Å; D1056-H1058 VanDerWaalsContact C-N 3.26Å; D1056-H1058 PolarHBondContact O-CD2 2.95Å; D1056-H1058 PolarHBondContact O-N 2.92Å; D1056-H1058 VanDerWaalsContact O-N 3.11Å; D1056-H1058 PolarHBondContact O-ND1 2.9Å; D1056-Y1110 HydrophobicContact CB-CE2 3.84Å; D1056-Y1110 VanDerWaalsContact CG-OH 3.3Å; D1056-Y1110 WeakPolarHBondContact OD2-CE2 3.26Å; D1056-Y1110 PolarHBondContact OD2-OH 3.21Å |
| 1057 | S | 89.3 | Confident | 92.6 | Very high | 99.6 Ų | 99.6 | 39.9 Ų | 39.9 | 70% | 0.697 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | 1.6 | -176.2 | -34.7 | 0 | 0 | 0 | 0 | 116.7 | C1055 | C1055-S1057 VanDerWaalsContact C-N 3.28Å; C1055-S1057 PolarHBondContact O-N 3.23Å |
| 1058 | H | 91.1 | Very high | 92.6 | Very high | 74.2 Ų | 74.2 | 37.6 Ų | 37.6 | 34% | 0.344 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 124.1 | 173 | -64.2 | -60.9 | 0 | 0 | 0 | 111.6 | S1054 C1055 D1056 V1060 P1107 Y1110 | S1054-H1058 CarbonylContact C-O 3.51Å; S1054-H1058 WeakPolarHBondContact CA-O 3.26Å; C1055-H1058 PolarHBondContact N-O 3.05Å; C1055-H1058 WeakPolarHBondContact O-CB 3.35Å; C1055-H1058 PolarHBondContact O-N 3.05Å; D1056-H1058 VanDerWaalsContact C-N 3.26Å; D1056-H1058 PolarHBondContact O-CD2 2.95Å; D1056-H1058 PolarHBondContact O-N 2.92Å; D1056-H1058 VanDerWaalsContact O-N 3.11Å; D1056-H1058 PolarHBondContact O-ND1 2.9Å; H1058-V1060 VanDerWaalsContact C-N 3.32Å; H1058-V1060 HydrophobicContact CB-CG2 4.38Å; H1058-V1060 PolarHBondContact O-N 3.07Å; H1058-P1107 HydrophobicContact CB-CG 3.79Å; H1058-Y1110 AromaticContact CD2-CD2 3.65Å; H1058-Y1110 VanDerWaalsContact CD2-CD2 3.43Å; H1058-Y1110 WeakPolarHBondContact CD2-CD2 3.47Å; H1058-Y1110 AromaticContact CD2-CE2 3.81Å; H1058-Y1110 AromaticContact CD2-CG 3.76Å; H1058-Y1110 AromaticContact NE2-CD2 3.88Å |
| 1059 | P | 91.1 | Very high | 92.7 | Very high | 66 Ų | 66 | 40.7 Ų | 40.7 | 43% | 0.429 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 84 | 178.8 | 31.1 | -34.8 | 0 | 0 | 0 | 111.3 | V1052 N1062 | V1052-P1059 HydrophobicContact CG1-CB 3.86Å; P1059-N1062 PolarHBondContact O-ND2 3.26Å |
| 1060 | V | 93.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | -38.7 | -173.6 | 178 | 0 | 0 | 0 | 0 | 112.3 | I1053 C1055 H1058 I1104 V1105 F1106 Y1110 F1112 | I1053-V1060 PolarHBondContact O-N 2.99Å; I1053-V1060 VanDerWaalsContact O-N 3.09Å; C1055-V1060 HydrophobicContact CB-CG2 3.9Å; H1058-V1060 VanDerWaalsContact C-N 3.32Å; H1058-V1060 HydrophobicContact CB-CG2 4.38Å; H1058-V1060 PolarHBondContact O-N 3.07Å; V1060-I1104 HydrophobicContact CG1-CG2 4.37Å; V1060-I1104 CarbonylContact O-C 3.41Å; V1060-I1104 VanDerWaalsContact O-CA 3.27Å; V1060-I1104 WeakPolarHBondContact O-CA 3.4Å; V1060-V1105 WeakPolarHBondContact CA-O 3.37Å; V1060-V1105 PolarHBondContact O-N 2.98Å; V1060-F1106 HydrophobicContact CG1-CD1 4.06Å; V1060-F1106 HydrophobicContact CG1-CE1 3.83Å; V1060-F1106 HydrophobicContact CG1-CZ 4.47Å; V1060-Y1110 HydrophobicContact CG2-CE1 4.17Å; V1060-F1112 HydrophobicContact CG1-CD2 4.45Å; V1060-F1112 HydrophobicContact CG1-CE2 4.31Å; V1060-F1112 HydrophobicContact CG2-CD2 4.47Å |
| 1061 | F | 94.8 | Very high | 92.8 | Very high | 50.6 Ų | 50.6 | 38.4 Ų | 38.4 | 22% | 0.222 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 123.6 | 179.5 | -50.4 | -100.2 | 0 | 0 | 0 | 110.7 | V1052 I1053 L1063 A1103 I1104 F1112 | V1052-F1061 CarbonylContact C-O 3.52Å; V1052-F1061 WeakPolarHBondContact CA-O 3.36Å; I1053-F1061 HydrophobicContact CB-CB 3.95Å; I1053-F1061 HydrophobicContact CB-CD2 3.97Å; I1053-F1061 HydrophobicContact CB-CG 4.37Å; I1053-F1061 HydrophobicContact CD1-CB 4.07Å; I1053-F1061 HydrophobicContact CD1-CD2 4.41Å; I1053-F1061 HydrophobicContact CD1-CG 4.36Å; I1053-F1061 HydrophobicContact CG1-CB 4.15Å; I1053-F1061 HydrophobicContact CG2-CD2 4.2Å; I1053-F1061 PolarHBondContact N-O 3.15Å; I1053-F1061 PolarHBondContact O-N 2.96Å; I1053-F1061 VanDerWaalsContact O-N 3.13Å; F1061-L1063 HydrophobicContact CB-CD1 4.15Å; F1061-A1103 WeakPolarHBondContact CA-O 3.39Å; F1061-I1104 HydrophobicContact CD1-CB 4.42Å; F1061-I1104 HydrophobicContact CD1-CD1 4.01Å; F1061-I1104 HydrophobicContact CD1-CG1 3.81Å; F1061-I1104 HydrophobicContact CD1-CG2 4.01Å; F1061-I1104 HydrophobicContact CE1-CD1 3.97Å; F1061-I1104 HydrophobicContact CE1-CG1 4.18Å; F1061-I1104 HydrophobicContact CE1-CG2 3.84Å; F1061-I1104 HydrophobicContact CZ-CG2 4.46Å; F1061-F1112 HydrophobicContact CE2-CE2 4.19Å; F1061-F1112 HydrophobicContact CE2-CZ 4.32Å; F1061-F1112 HydrophobicContact CZ-CE2 4.45Å; F1061-F1112 HydrophobicContact CZ-CZ 4.19Å |
| 1062 | N | 93.7 | Very high | 92.5 | Very high | 51.6 Ų | 51.6 | 41 Ų | 41 | 28% | 0.276 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 117.2 | 176.4 | -62.9 | -46.6 | 0 | 0 | 0 | 109 | V1052 P1059 A1103 | V1052-N1062 WeakPolarHBondContact CG1-OD1 3.39Å; V1052-N1062 WeakPolarHBondContact CG2-OD1 3.1Å; P1059-N1062 PolarHBondContact O-ND2 3.26Å; N1062-A1103 HydrophobicContact CB-CB 4.38Å; N1062-A1103 PolarHBondContact N-O 3.1Å; N1062-A1103 PolarHBondContact O-N 3.15Å |
| 1063 | L | 93.6 | Very high | 92 | Very high | 17.2 Ų | 17.2 | 41.6 Ų | 41.6 | 9% | 0.09 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 140 | 179.3 | -57.5 | 92.3 | 0 | 0 | 0 | 110.1 | S1050 L1051 I1053 F1061 V1066 I1099 T1101 L1102 | S1050-L1063 CarbonylContact C-O 3.52Å; S1050-L1063 VanDerWaalsContact CA-O 3.29Å; S1050-L1063 WeakPolarHBondContact CA-O 3.4Å; S1050-L1063 PolarHBondContact OG-O 2.86Å; S1050-L1063 VanDerWaalsContact OG-O 3.14Å; L1051-L1063 HydrophobicContact CB-CB 4.27Å; L1051-L1063 HydrophobicContact CB-CD1 4.37Å; L1051-L1063 HydrophobicContact CD2-CD1 4.1Å; L1051-L1063 HydrophobicContact CG-CD1 4.07Å; L1051-L1063 PolarHBondContact N-O 2.92Å; L1051-L1063 WeakPolarHBondContact O-CD1 3.43Å; L1051-L1063 PolarHBondContact O-N 3.07Å; I1053-L1063 HydrophobicContact CD1-CD1 4.44Å; F1061-L1063 HydrophobicContact CB-CD1 4.15Å; L1063-V1066 HydrophobicContact CB-CG2 3.56Å; L1063-V1066 VanDerWaalsContact CB-CG2 3.49Å; L1063-V1066 HydrophobicContact CD2-CG2 4.27Å; L1063-V1066 HydrophobicContact CG-CG2 4.49Å; L1063-I1099 HydrophobicContact CB-CG2 4.44Å; L1063-I1099 HydrophobicContact CD2-CD1 3.97Å; L1063-I1099 HydrophobicContact CD2-CG1 4.41Å; L1063-I1099 HydrophobicContact CD2-CG2 4.39Å; L1063-T1101 CarbonylContact C-O 3.55Å; L1063-T1101 WeakPolarHBondContact CA-O 3.32Å; L1063-L1102 HydrophobicContact CD1-CD1 4.25Å; L1063-L1102 HydrophobicContact CD2-CD1 3.92Å; L1063-L1102 HydrophobicContact CG-CD1 3.69Å |
| 1064 | T | 91.4 | Very high | 91.7 | Very high | 48.4 Ų | 48.4 | 42.6 Ų | 42.6 | 30% | 0.297 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 148.4 | 173.2 | 69.1 | 0 | 0 | 0 | 0 | 111.1 | N1049 V1066 K1100 T1101 | N1049-T1064 CarbonylContact O-C 3.33Å; N1049-T1064 WeakPolarHBondContact O-CA 3.37Å; T1064-V1066 PolarHBondContact O-N 2.95Å; T1064-K1100 WeakPolarHBondContact O-CA 3.36Å; T1064-K1100 WeakPolarHBondContact O-CB 3.36Å; T1064-K1100 PolarHBondContact O-N 3.01Å; T1064-T1101 WeakPolarHBondContact CG2-OG1 3.29Å; T1064-T1101 PolarHBondContact N-O 3.16Å; T1064-T1101 VanDerWaalsContact N-O 3.08Å; T1064-T1101 PolarHBondContact O-N 2.94Å; T1064-T1101 WeakPolarHBondContact OG1-CA 3.26Å; T1064-T1101 WeakPolarHBondContact OG1-CB 3.45Å; T1064-T1101 WeakPolarHBondContact OG1-CG2 3.15Å; T1064-T1101 PolarHBondContact OG1-N 3.17Å; T1064-T1101 VanDerWaalsContact OG1-N 3.09Å; T1064-T1101 PolarHBondContact OG1-O 2.84Å; T1064-T1101 PolarHBondContact OG1-OG1 2.97Å |
| 1065 | G | 88.6 | Confident | 91.3 | Very high | 35.4 Ų | 35.4 | 46.5 Ų | 46.5 | 37% | 0.365 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 57.1 | 53.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | N1049 S1098 I1099 K1100 | N1049-G1065 PolarHBondContact O-N 3.06Å; G1065-S1098 VanDerWaalsContact O-O 3.08Å; G1065-I1099 WeakPolarHBondContact O-CA 3.39Å; G1065-K1100 PolarHBondContact O-N 3.07Å |
| 1066 | V | 91.5 | Very high | 90.9 | Very high | 7.2 Ų | 7.2 | 49.3 Ų | 49.3 | 4% | 0.044 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 121.3 | -175.5 | -178.1 | 0 | 0 | 0 | 0 | 110.5 | E1047 A1048 L1051 L1063 T1064 I1068 S1098 I1099 | E1047-V1066 CarbonylContact C-O 3.4Å; E1047-V1066 WeakPolarHBondContact CA-O 3.35Å; A1048-V1066 PolarHBondContact N-O 3.2Å; A1048-V1066 PolarHBondContact O-N 3.03Å; L1051-V1066 HydrophobicContact CB-CG2 4.38Å; L1063-V1066 HydrophobicContact CB-CG2 3.56Å; L1063-V1066 VanDerWaalsContact CB-CG2 3.49Å; L1063-V1066 HydrophobicContact CD2-CG2 4.27Å; L1063-V1066 HydrophobicContact CG-CG2 4.49Å; T1064-V1066 PolarHBondContact O-N 2.95Å; V1066-I1068 HydrophobicContact CG1-CD1 3.99Å; V1066-I1068 HydrophobicContact CG1-CG1 3.98Å; V1066-S1098 CarbonylContact C-O 3.56Å; V1066-I1099 HydrophobicContact CG2-CG1 4.47Å |
| 1067 | C | 93.5 | Very high | 90.9 | Very high | 37.8 Ų | 37.8 | 47.6 Ų | 47.6 | 26% | 0.255 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 118.4 | 169.4 | -177.5 | 0 | 0 | 0 | 0 | 109.6 | I1046 E1047 W1097 S1098 | I1046-C1067 CarbonylContact O-C 3.53Å; I1046-C1067 VanDerWaalsContact O-CA 3.29Å; I1046-C1067 WeakPolarHBondContact O-CA 3.33Å; E1047-C1067 HydrophobicContact CG-CB 4.41Å; C1067-W1097 CarbonylContact O-C 3.49Å; C1067-W1097 WeakPolarHBondContact O-CA 3.36Å; C1067-S1098 PolarHBondContact N-O 2.96Å; C1067-S1098 PolarHBondContact O-N 3.15Å |
| 1068 | I | 93.7 | Very high | 90.8 | Very high | 20.8 Ų | 20.8 | 43.9 Ų | 43.9 | 11% | 0.107 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 119.8 | 179.9 | -55.9 | 168.6 | 0 | 0 | 0 | 107.9 | S1045 I1046 V1066 W1095 I1096 W1097 | S1045-I1068 CarbonylContact C-O 3.53Å; S1045-I1068 WeakPolarHBondContact CA-O 3.4Å; I1046-I1068 HydrophobicContact CB-CB 4.36Å; I1046-I1068 PolarHBondContact N-O 2.96Å; I1046-I1068 PolarHBondContact O-N 2.83Å; V1066-I1068 HydrophobicContact CG1-CD1 3.99Å; V1066-I1068 HydrophobicContact CG1-CG1 3.98Å; I1068-W1095 HydrophobicContact CG2-CE3 3.83Å; I1068-W1095 HydrophobicContact CG2-CZ3 3.98Å; I1068-I1096 CarbonylContact C-O 3.52Å; I1068-I1096 VanDerWaalsContact CA-O 3.3Å; I1068-I1096 WeakPolarHBondContact CA-O 3.31Å; I1068-W1097 HydrophobicContact CD1-CD2 4.06Å; I1068-W1097 HydrophobicContact CD1-CE3 3.61Å; I1068-W1097 HydrophobicContact CD1-CH2 3.91Å; I1068-W1097 HydrophobicContact CD1-CZ2 4.25Å; I1068-W1097 HydrophobicContact CD1-CZ3 3.54Å; I1068-W1097 VanDerWaalsContact CD1-CZ3 3.46Å; I1068-W1097 HydrophobicContact CG1-CD2 3.9Å; I1068-W1097 HydrophobicContact CG1-CE3 3.8Å; I1068-W1097 HydrophobicContact CG1-CG 4.3Å; I1068-W1097 HydrophobicContact CG1-CZ3 4.26Å; I1068-W1097 HydrophobicContact CG2-CD2 4.13Å; I1068-W1097 HydrophobicContact CG2-CE3 4.43Å; I1068-W1097 HydrophobicContact CG2-CG 4.32Å; I1068-W1097 HydrophobicContact CG2-CZ2 4.34Å |
| 1069 | E | 93.7 | Very high | 90.6 | Very high | 72.4 Ų | 72.4 | 43.7 Ų | 43.7 | 34% | 0.338 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 150.8 | 176.8 | 65.1 | 173.8 | 179.3 | 0 | 0 | 112.7 | P1044 V1071 W1095 I1096 | P1044-E1069 WeakPolarHBondContact O-CA 3.37Å; E1069-V1071 HydrophobicContact CG-CG2 4.19Å; E1069-W1095 CarbonylContact O-C 3.51Å; E1069-W1095 WeakPolarHBondContact O-CA 3.27Å; E1069-I1096 HydrophobicContact CG-CB 3.99Å; E1069-I1096 HydrophobicContact CG-CD1 4.44Å; E1069-I1096 PolarHBondContact N-O 2.97Å; E1069-I1096 PolarHBondContact O-N 3.04Å |
| 1070 | K | 93.2 | Very high | 90.3 | Very high | 61.4 Ų | 61.4 | 41.9 Ų | 41.9 | 27% | 0.267 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 125.8 | 171.6 | -168.4 | -179.7 | -177.6 | 179.8 | 0 | 110.2 | G1042 N1043 P1044 C1094 W1095 S1143 | G1042-K1070 WeakPolarHBondContact O-CD 3.37Å; N1043-K1070 WeakPolarHBondContact CA-O 3.33Å; N1043-K1070 VanDerWaalsContact CB-O 3.24Å; N1043-K1070 WeakPolarHBondContact CB-O 3.34Å; P1044-K1070 HydrophobicContact CG-CB 4.13Å; P1044-K1070 HydrophobicContact CG-CD 4.47Å; P1044-K1070 PolarHBondContact O-N 3.04Å; K1070-C1094 CarbonylContact C-O 3.6Å; K1070-C1094 WeakPolarHBondContact CA-O 3.23Å; K1070-W1095 HydrophobicContact CB-CD2 3.93Å; K1070-W1095 HydrophobicContact CB-CE3 3.79Å; K1070-W1095 HydrophobicContact CB-CH2 3.99Å; K1070-W1095 HydrophobicContact CB-CZ2 4.1Å; K1070-W1095 HydrophobicContact CB-CZ3 3.82Å; K1070-W1095 HydrophobicContact CD-CD2 4.46Å; K1070-W1095 HydrophobicContact CD-CH2 4.4Å; K1070-W1095 HydrophobicContact CD-CZ2 3.81Å; K1070-W1095 HydrophobicContact CG-CD2 4.09Å; K1070-W1095 HydrophobicContact CG-CE3 4.42Å; K1070-W1095 HydrophobicContact CG-CG 4.47Å; K1070-W1095 HydrophobicContact CG-CZ2 4.24Å; K1070-S1143 WeakPolarHBondContact CE-OG 3.41Å; K1070-S1143 PolarHBondContact NZ-OG 2.71Å |
| 1071 | V | 90.9 | Very high | 90 | Very high | 31 Ų | 31 | 42.2 Ų | 42.2 | 19% | 0.188 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 134.1 | 179.2 | -171.7 | 0 | 0 | 0 | 0 | 109.3 | E1069 S1073 S1093 C1094 I1096 | E1069-V1071 HydrophobicContact CG-CG2 4.19Å; V1071-S1073 VanDerWaalsContact C-N 3.34Å; V1071-S1073 VanDerWaalsContact CG1-O 3.25Å; V1071-S1073 WeakPolarHBondContact CG1-O 3.33Å; V1071-S1073 PolarHBondContact O-N 3.46Å; V1071-S1093 CarbonylContact O-C 3.52Å; V1071-S1093 VanDerWaalsContact O-CA 3.31Å; V1071-S1093 WeakPolarHBondContact O-CA 3.42Å; V1071-C1094 PolarHBondContact N-O 3Å; V1071-C1094 PolarHBondContact O-N 3.08Å; V1071-I1096 HydrophobicContact CG2-CD1 3.77Å; V1071-I1096 HydrophobicContact CG2-CG1 4.37Å |
| 1072 | P | 87.9 | Confident | 89.4 | Confident | 80.6 Ų | 80.6 | 47 Ų | 47 | 52% | 0.523 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -72.4 | -28 | -176.9 | 26.8 | -33.6 | 0 | 0 | 0 | 113.6 | N1043 N1092 S1093 | N1043-P1072 WeakPolarHBondContact OD1-CD 3.43Å; P1072-N1092 CarbonylContact O-C 3.56Å; P1072-S1093 VanDerWaalsContact O-CA 3.28Å; P1072-S1093 WeakPolarHBondContact O-CA 3.4Å; P1072-S1093 PolarHBondContact O-N 2.98Å |
| 1073 | S | 85.6 | Confident | 88.8 | Confident | 47.6 Ų | 47.6 | 50.2 Ų | 50.2 | 33% | 0.333 | 27% | 0.274 | S | S | . | . | trans | -150.6 | 123.5 | 174.2 | 167.6 | 0 | 0 | 0 | 0 | 108.3 | V1071 N1078 | V1071-S1073 VanDerWaalsContact C-N 3.34Å; V1071-S1073 VanDerWaalsContact CG1-O 3.25Å; V1071-S1073 WeakPolarHBondContact CG1-O 3.33Å; V1071-S1073 PolarHBondContact O-N 3.46Å; S1073-N1078 PolarHBondContact OG-ND2 3.16Å; S1073-N1078 PolarHBondContact OG-OD1 3.21Å | ||
| 1074 | Y | 88.4 | Confident | 88.2 | Confident | 48 Ų | 48 | 49.9 Ų | 49.9 | 19% | 0.188 | 27% | 0.273 | C | S | . | . | trans | -110.6 | 113.9 | -178.3 | -174.5 | -137.9 | 0 | 0 | 0 | 110 | M1076 F1077 N1078 C1094 I1096 H1146 | Y1074-M1076 VanDerWaalsContact C-N 3.3Å; Y1074-M1076 HydrophobicContact CD1-CB 4.3Å; Y1074-M1076 HydrophobicContact CE1-CB 3.91Å; Y1074-M1076 HydrophobicContact CE1-CE 3.94Å; Y1074-M1076 HydrophobicContact CE1-SD 4.33Å; Y1074-M1076 HydrophobicContact CE2-CB 4.47Å; Y1074-M1076 PolarHBondContact O-N 2.97Å; Y1074-F1077 HydrophobicContact CD1-CB 4.19Å; Y1074-F1077 AromaticContact CD1-CD2 3.44Å; Y1074-F1077 HydrophobicContact CD1-CD2 3.44Å; Y1074-F1077 VanDerWaalsContact CD1-CD2 3.44Å; Y1074-F1077 AromaticContact CD1-CE2 3.99Å; Y1074-F1077 HydrophobicContact CD1-CE2 4.07Å; Y1074-F1077 AromaticContact CD1-CG 3.91Å; Y1074-F1077 HydrophobicContact CD1-CG 4Å; Y1074-F1077 AromaticContact CE1-CD2 3.77Å; Y1074-F1077 HydrophobicContact CE1-CD2 3.77Å; Y1074-F1077 AromaticContact CE1-CE2 3.87Å; Y1074-F1077 HydrophobicContact CE1-CE2 4.08Å; Y1074-F1077 PolarHBondContact O-N 3.08Å; Y1074-N1078 PolarHBondContact O-N 3.27Å; Y1074-N1078 VanDerWaalsContact O-N 3.1Å; Y1074-N1078 PolarHBondContact O-OD1 3.26Å; Y1074-C1094 HydrophobicContact CD1-CB 4.45Å; Y1074-I1096 HydrophobicContact CD1-CD1 4.3Å; Y1074-I1096 HydrophobicContact CD2-CD1 3.88Å; Y1074-I1096 HydrophobicContact CE1-CD1 4.2Å; Y1074-I1096 HydrophobicContact CE2-CD1 3.77Å; Y1074-I1096 HydrophobicContact CG-CD1 4.16Å; Y1074-H1146 AromaticContact CE1-CE1 3.84Å; Y1074-H1146 AromaticContact CE1-ND1 3.38Å; Y1074-H1146 VanDerWaalsContact CE1-ND1 3.31Å; Y1074-H1146 WeakPolarHBondContact CE1-ND1 3.25Å; Y1074-H1146 AromaticContact CZ-CE1 3.96Å; Y1074-H1146 AromaticContact CZ-ND1 3.88Å; Y1074-H1146 PolarHBondContact OH-CE1 3.37Å; Y1074-H1146 PolarHBondContact OH-ND1 3.18Å | ||
| 1075 | P | 87.2 | Confident | 87.6 | Confident | 87.6 Ų | 87.6 | 56.6 Ų | 56.6 | 57% | 0.569 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -53.2 | -43.6 | -170.1 | -29 | 34.9 | 0 | 0 | 0 | 114.2 | F1077 N1078 V1079 | P1075-F1077 VanDerWaalsContact C-N 3.32Å; P1075-F1077 PolarHBondContact O-N 2.89Å; P1075-N1078 WeakPolarHBondContact O-CB 3.37Å; P1075-N1078 PolarHBondContact O-N 3.13Å; P1075-N1078 VanDerWaalsContact O-N 3.13Å; P1075-V1079 WeakPolarHBondContact O-CG2 3.26Å; P1075-V1079 PolarHBondContact O-N 3.1Å; P1075-V1079 VanDerWaalsContact O-N 3.13Å |
| 1076 | M | 85.5 | Confident | 87.3 | Confident | 60.4 Ų | 60.4 | 56.5 Ų | 56.5 | 30% | 0.298 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58 | -44.1 | 178.5 | -171.7 | -173.3 | 100.9 | 0 | 0 | 112.2 | Y1074 N1078 V1079 L1080 H1146 K1261 L1397 | Y1074-M1076 VanDerWaalsContact C-N 3.3Å; Y1074-M1076 HydrophobicContact CD1-CB 4.3Å; Y1074-M1076 HydrophobicContact CE1-CB 3.91Å; Y1074-M1076 HydrophobicContact CE1-CE 3.94Å; Y1074-M1076 HydrophobicContact CE1-SD 4.33Å; Y1074-M1076 HydrophobicContact CE2-CB 4.47Å; Y1074-M1076 PolarHBondContact O-N 2.97Å; M1076-N1078 VanDerWaalsContact C-N 3.33Å; M1076-N1078 PolarHBondContact O-N 3.42Å; M1076-V1079 PolarHBondContact O-N 3.01Å; M1076-L1080 HydrophobicContact CE-CD1 4.19Å; M1076-L1080 HydrophobicContact CG-CD1 4.3Å; M1076-L1080 WeakPolarHBondContact O-CD1 3.45Å; M1076-L1080 VanDerWaalsContact O-CG 3.29Å; M1076-L1080 WeakPolarHBondContact O-CG 3.36Å; M1076-L1080 PolarHBondContact O-N 3.29Å; M1076-L1080 VanDerWaalsContact O-N 3.08Å; M1076-H1146 VanDerWaalsContact CE-CE1 3.42Å; M1076-H1146 WeakPolarHBondContact CE-CE1 3.28Å; M1076-K1261 HydrophobicContact CE-CD 4.24Å; M1076-K1261 HydrophobicContact CE-CG 4.42Å; M1076-L1397 HydrophobicContact CG-CD1 3.66Å; M1076-L1397 HydrophobicContact SD-CD1 3.9Å |
| 1077 | F | 89.6 | Confident | 87 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 0% | 0.004 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.2 | -33.2 | 179.2 | -89.5 | -128.3 | 0 | 0 | 0 | 112 | Y1074 P1075 V1079 L1080 R1081 D1144 W1145 H1146 K1261 F1263 | Y1074-F1077 HydrophobicContact CD1-CB 4.19Å; Y1074-F1077 AromaticContact CD1-CD2 3.44Å; Y1074-F1077 HydrophobicContact CD1-CD2 3.44Å; Y1074-F1077 VanDerWaalsContact CD1-CD2 3.44Å; Y1074-F1077 AromaticContact CD1-CE2 3.99Å; Y1074-F1077 HydrophobicContact CD1-CE2 4.07Å; Y1074-F1077 AromaticContact CD1-CG 3.91Å; Y1074-F1077 HydrophobicContact CD1-CG 4Å; Y1074-F1077 AromaticContact CE1-CD2 3.77Å; Y1074-F1077 HydrophobicContact CE1-CD2 3.77Å; Y1074-F1077 AromaticContact CE1-CE2 3.87Å; Y1074-F1077 HydrophobicContact CE1-CE2 4.08Å; Y1074-F1077 PolarHBondContact O-N 3.08Å; P1075-F1077 VanDerWaalsContact C-N 3.32Å; P1075-F1077 PolarHBondContact O-N 2.89Å; F1077-V1079 VanDerWaalsContact C-N 3.3Å; F1077-V1079 PolarHBondContact O-N 3.3Å; F1077-L1080 HydrophobicContact CD2-CD1 4.36Å; F1077-L1080 PolarHBondContact O-N 3.04Å; F1077-R1081 VanDerWaalsContact O-CB 3.3Å; F1077-R1081 WeakPolarHBondContact O-CB 3.37Å; F1077-R1081 WeakPolarHBondContact O-CD 3.27Å; F1077-R1081 WeakPolarHBondContact O-CG 3.3Å; F1077-R1081 PolarHBondContact O-N 3.1Å; F1077-D1144 HydrophobicContact CD1-CB 3.71Å; F1077-D1144 WeakPolarHBondContact CD1-OD2 3.23Å; F1077-D1144 HydrophobicContact CE1-CB 3.75Å; F1077-W1145 WeakPolarHBondContact CZ-O 3.3Å; F1077-H1146 HydrophobicContact CE2-CB 3.72Å; F1077-H1146 AromaticContact CE2-CG 3.77Å; F1077-H1146 HydrophobicContact CZ-CB 3.65Å; F1077-H1146 AromaticContact CZ-CG 4Å; F1077-K1261 HydrophobicContact CE1-CB 4.42Å; F1077-K1261 HydrophobicContact CE2-CB 4.28Å; F1077-K1261 HydrophobicContact CE2-CD 4.29Å; F1077-K1261 HydrophobicContact CE2-CG 3.97Å; F1077-K1261 HydrophobicContact CZ-CB 3.69Å; F1077-K1261 HydrophobicContact CZ-CG 3.86Å; F1077-F1263 HydrophobicContact CB-CE1 4.13Å; F1077-F1263 AromaticContact CD1-CD1 3.67Å; F1077-F1263 HydrophobicContact CD1-CD1 3.67Å; F1077-F1263 AromaticContact CD1-CE1 3.23Å; F1077-F1263 HydrophobicContact CD1-CE1 3.23Å; F1077-F1263 HydrophobicContact CD1-CG 4.49Å; F1077-F1263 AromaticContact CD1-CZ 3.82Å; F1077-F1263 HydrophobicContact CD1-CZ 3.82Å; F1077-F1263 HydrophobicContact CD2-CE1 4.37Å; F1077-F1263 HydrophobicContact CD2-CZ 4.42Å; F1077-F1263 AromaticContact CE1-CD1 3.85Å; F1077-F1263 HydrophobicContact CE1-CD1 3.99Å; F1077-F1263 AromaticContact CE1-CE1 3.65Å; F1077-F1263 HydrophobicContact CE1-CE1 3.65Å; F1077-F1263 HydrophobicContact CE1-CE2 4.31Å; F1077-F1263 HydrophobicContact CE1-CG 4.43Å; F1077-F1263 AromaticContact CE1-CZ 3.82Å; F1077-F1263 HydrophobicContact CE1-CZ 3.82Å; F1077-F1263 HydrophobicContact CE2-CZ 4.46Å; F1077-F1263 HydrophobicContact CG-CD1 4.47Å; F1077-F1263 AromaticContact CG-CE1 3.73Å; F1077-F1263 HydrophobicContact CG-CE1 3.73Å; F1077-F1263 HydrophobicContact CG-CZ 4.2Å; F1077-F1263 HydrophobicContact CZ-CE1 4.42Å; F1077-F1263 HydrophobicContact CZ-CZ 4.24Å |
| 1078 | N | 87.7 | Confident | 86.6 | Confident | 23.4 Ų | 23.4 | 60.2 Ų | 60.2 | 13% | 0.125 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.4 | -39.4 | 174.7 | -62.3 | -20.4 | 0 | 0 | 0 | 111.4 | S1073 Y1074 P1075 M1076 Q1082 | S1073-N1078 PolarHBondContact OG-ND2 3.16Å; S1073-N1078 PolarHBondContact OG-OD1 3.21Å; Y1074-N1078 PolarHBondContact O-N 3.27Å; Y1074-N1078 VanDerWaalsContact O-N 3.1Å; Y1074-N1078 PolarHBondContact O-OD1 3.26Å; P1075-N1078 WeakPolarHBondContact O-CB 3.37Å; P1075-N1078 PolarHBondContact O-N 3.13Å; P1075-N1078 VanDerWaalsContact O-N 3.13Å; M1076-N1078 VanDerWaalsContact C-N 3.33Å; M1076-N1078 PolarHBondContact O-N 3.42Å; N1078-Q1082 PolarHBondContact O-N 3.09Å |
| 1079 | V | 86.3 | Confident | 86.3 | Confident | 70 Ų | 70 | 59.7 Ų | 59.7 | 42% | 0.424 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.9 | -48.8 | 175.6 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | P1075 M1076 F1077 R1081 Q1082 Y1083 | P1075-V1079 WeakPolarHBondContact O-CG2 3.26Å; P1075-V1079 PolarHBondContact O-N 3.1Å; P1075-V1079 VanDerWaalsContact O-N 3.13Å; M1076-V1079 PolarHBondContact O-N 3.01Å; F1077-V1079 VanDerWaalsContact C-N 3.3Å; F1077-V1079 PolarHBondContact O-N 3.3Å; V1079-R1081 VanDerWaalsContact C-N 3.26Å; V1079-R1081 PolarHBondContact O-N 3.15Å; V1079-Q1082 WeakPolarHBondContact O-CB 3.4Å; V1079-Q1082 PolarHBondContact O-N 3.06Å; V1079-Y1083 HydrophobicContact CG1-CD2 4.15Å; V1079-Y1083 HydrophobicContact CG1-CE2 3.6Å; V1079-Y1083 VanDerWaalsContact O-CD2 3.3Å; V1079-Y1083 WeakPolarHBondContact O-CD2 3.43Å; V1079-Y1083 PolarHBondContact O-N 2.93Å |
| 1080 | L | 85.3 | Confident | 86 | Confident | 26.8 Ų | 26.8 | 60.8 Ų | 60.8 | 14% | 0.14 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.9 | -36.2 | 177.4 | -70.4 | 169.8 | 0 | 0 | 0 | 112.6 | M1076 F1077 Q1082 Y1083 I1084 K1261 F1263 L1395 | M1076-L1080 HydrophobicContact CE-CD1 4.19Å; M1076-L1080 HydrophobicContact CG-CD1 4.3Å; M1076-L1080 WeakPolarHBondContact O-CD1 3.45Å; M1076-L1080 VanDerWaalsContact O-CG 3.29Å; M1076-L1080 WeakPolarHBondContact O-CG 3.36Å; M1076-L1080 PolarHBondContact O-N 3.29Å; M1076-L1080 VanDerWaalsContact O-N 3.08Å; F1077-L1080 HydrophobicContact CD2-CD1 4.36Å; F1077-L1080 PolarHBondContact O-N 3.04Å; L1080-Q1082 VanDerWaalsContact C-N 3.29Å; L1080-Q1082 PolarHBondContact O-N 3.25Å; L1080-Y1083 PolarHBondContact O-N 3.34Å; L1080-Y1083 VanDerWaalsContact O-N 3.14Å; L1080-I1084 HydrophobicContact CB-CD1 4.43Å; L1080-I1084 WeakPolarHBondContact O-CD1 3.13Å; L1080-I1084 VanDerWaalsContact O-CG1 3.3Å; L1080-I1084 WeakPolarHBondContact O-CG1 3.4Å; L1080-I1084 PolarHBondContact O-N 3.18Å; L1080-I1084 VanDerWaalsContact O-N 3.12Å; L1080-K1261 HydrophobicContact CD1-CD 4.01Å; L1080-F1263 HydrophobicContact CB-CE1 4.18Å; L1080-F1263 HydrophobicContact CB-CZ 3.88Å; L1080-F1263 HydrophobicContact CD1-CZ 3.94Å; L1080-F1263 HydrophobicContact CG-CZ 4.44Å; L1080-L1395 HydrophobicContact CD2-CD1 3.84Å |
| 1081 | R | 87.9 | Confident | 85.7 | Confident | 8 Ų | 8 | 66.3 Ų | 66.3 | 3% | 0.03 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.4 | -30.2 | 175.7 | -79.1 | 168.8 | 167.3 | -72.7 | -3.3 | 114 | F1077 V1079 Y1083 L1087 S1089 N1092 D1144 F1263 A1264 D1265 | F1077-R1081 VanDerWaalsContact O-CB 3.3Å; F1077-R1081 WeakPolarHBondContact O-CB 3.37Å; F1077-R1081 WeakPolarHBondContact O-CD 3.27Å; F1077-R1081 WeakPolarHBondContact O-CG 3.3Å; F1077-R1081 PolarHBondContact O-N 3.1Å; V1079-R1081 VanDerWaalsContact C-N 3.26Å; V1079-R1081 PolarHBondContact O-N 3.15Å; R1081-Y1083 VanDerWaalsContact C-N 3.32Å; R1081-L1087 HydrophobicContact CG-CD1 3.89Å; R1081-S1089 WeakPolarHBondContact CD-O 3.4Å; R1081-S1089 PolarHBondContact NH1-O 3.11Å; R1081-S1089 PolarHBondContact NH1-OG 3.06Å; R1081-N1092 VanDerWaalsContact NH2-CB 3.31Å; R1081-D1144 IonicContact CZ-OD1 3.25Å; R1081-D1144 IonicContact CZ-OD2 2.99Å; R1081-D1144 VanDerWaalsContact CZ-OD2 3.27Å; R1081-D1144 IonicContact NE-OD2 2.88Å; R1081-D1144 PolarHBondContact NE-OD2 2.87Å; R1081-D1144 IonicContact NH2-OD1 3.37Å; R1081-D1144 PolarHBondContact NH2-OD1 2.96Å; R1081-D1144 IonicContact NH2-OD2 3.6Å; R1081-D1144 PolarHBondContact NH2-OD2 3.26Å; R1081-F1263 HydrophobicContact CG-CD1 4.14Å; R1081-F1263 HydrophobicContact CG-CE1 4.22Å; R1081-A1264 PolarHBondContact NH2-O 3.11Å; R1081-D1265 IonicContact NH1-OD1 3.16Å; R1081-D1265 PolarHBondContact NH1-OD1 2.79Å |
| 1082 | Q | 82.9 | Confident | 85.7 | Confident | 151 Ų | 151 | 65.5 Ų | 65.5 | 71% | 0.706 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -72.5 | -31.2 | 176.7 | -67.7 | 174 | -15.9 | 0 | 0 | 112.1 | N1078 V1079 L1080 | N1078-Q1082 PolarHBondContact O-N 3.09Å; V1079-Q1082 WeakPolarHBondContact O-CB 3.4Å; V1079-Q1082 PolarHBondContact O-N 3.06Å; L1080-Q1082 VanDerWaalsContact C-N 3.29Å; L1080-Q1082 PolarHBondContact O-N 3.25Å |
| 1083 | Y | 79.6 | Confident | 85.9 | Confident | 118.8 Ų | 118.8 | 63 Ų | 63 | 47% | 0.466 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -84.7 | -34.9 | -178.9 | -79.8 | -75.8 | 0 | 0 | 0 | 113 | V1079 L1080 R1081 K1085 V1393 L1395 | V1079-Y1083 HydrophobicContact CG1-CD2 4.15Å; V1079-Y1083 HydrophobicContact CG1-CE2 3.6Å; V1079-Y1083 VanDerWaalsContact O-CD2 3.3Å; V1079-Y1083 WeakPolarHBondContact O-CD2 3.43Å; V1079-Y1083 PolarHBondContact O-N 2.93Å; L1080-Y1083 PolarHBondContact O-N 3.34Å; L1080-Y1083 VanDerWaalsContact O-N 3.14Å; R1081-Y1083 VanDerWaalsContact C-N 3.32Å; Y1083-K1085 PolarHBondContact O-N 3.05Å; Y1083-K1085 VanDerWaalsContact O-N 3.15Å; Y1083-V1393 VanDerWaalsContact O-CG1 3.25Å; Y1083-V1393 WeakPolarHBondContact O-CG1 3.25Å; Y1083-V1393 VanDerWaalsContact O-CG2 3.24Å; Y1083-V1393 WeakPolarHBondContact O-CG2 3.49Å; Y1083-L1395 HydrophobicContact CD1-CD2 3.73Å; Y1083-L1395 VanDerWaalsContact CD1-CD2 3.42Å; Y1083-L1395 HydrophobicContact CD2-CD1 3.6Å; Y1083-L1395 VanDerWaalsContact CD2-CD1 3.45Å; Y1083-L1395 HydrophobicContact CD2-CD2 3.9Å; Y1083-L1395 HydrophobicContact CD2-CG 4.37Å; Y1083-L1395 HydrophobicContact CE1-CD2 4.1Å; Y1083-L1395 HydrophobicContact CE2-CD1 4.31Å; Y1083-L1395 HydrophobicContact CE2-CD2 4.14Å; Y1083-L1395 HydrophobicContact CG-CD1 3.92Å; Y1083-L1395 HydrophobicContact CG-CD2 4.12Å |
| 1084 | I | 81.4 | Confident | 86.3 | Confident | 10.8 Ų | 10.8 | 60.7 Ų | 60.7 | 6% | 0.055 | 30% | 0.298 | C | S | . | . | trans | -80.4 | 93.3 | -178.8 | -57 | 161.2 | 0 | 0 | 0 | 109.8 | L1080 V1086 L1087 F1263 Y1300 | L1080-I1084 HydrophobicContact CB-CD1 4.43Å; L1080-I1084 WeakPolarHBondContact O-CD1 3.13Å; L1080-I1084 VanDerWaalsContact O-CG1 3.3Å; L1080-I1084 WeakPolarHBondContact O-CG1 3.4Å; L1080-I1084 PolarHBondContact O-N 3.18Å; L1080-I1084 VanDerWaalsContact O-N 3.12Å; I1084-V1086 HydrophobicContact CG2-CB 4.4Å; I1084-V1086 PolarHBondContact O-N 3.12Å; I1084-L1087 HydrophobicContact CB-CD1 3.84Å; I1084-L1087 HydrophobicContact CB-CG 4.08Å; I1084-L1087 HydrophobicContact CD1-CD1 3.85Å; I1084-L1087 HydrophobicContact CG1-CD1 4.43Å; I1084-L1087 HydrophobicContact CG2-CD1 3.94Å; I1084-L1087 HydrophobicContact CG2-CG 3.79Å; I1084-L1087 PolarHBondContact O-N 3.03Å; I1084-F1263 HydrophobicContact CD1-CD2 4.43Å; I1084-F1263 HydrophobicContact CD1-CE2 4.07Å; I1084-F1263 HydrophobicContact CD1-CZ 4.18Å; I1084-Y1300 HydrophobicContact CD1-CD1 4Å; I1084-Y1300 HydrophobicContact CD1-CE1 3.7Å; I1084-Y1300 HydrophobicContact CG1-CE1 4.21Å; I1084-Y1300 HydrophobicContact CG2-CD1 4.28Å; I1084-Y1300 HydrophobicContact CG2-CD2 3.89Å; I1084-Y1300 HydrophobicContact CG2-CE1 4.08Å; I1084-Y1300 HydrophobicContact CG2-CE2 3.65Å; I1084-Y1300 HydrophobicContact CG2-CG 4.19Å | ||
| 1085 | K | 78.6 | Confident | 86.6 | Confident | 188.4 Ų | 188.4 | 61.7 Ų | 61.7 | 82% | 0.819 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -22.8 | -177.1 | -64.7 | -175.5 | 179.7 | 179.7 | 0 | 115.9 | Y1083 L1087 V1394 | Y1083-K1085 PolarHBondContact O-N 3.05Å; Y1083-K1085 VanDerWaalsContact O-N 3.15Å; K1085-L1087 VanDerWaalsContact C-N 3.32Å; K1085-V1394 WeakPolarHBondContact CE-O 3.46Å; K1085-V1394 PolarHBondContact NZ-O 2.84Å |
| 1086 | V | 82.8 | Confident | 87 | Confident | 34 Ų | 34 | 57.8 Ų | 57.8 | 21% | 0.206 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -26 | -180 | 178 | 0 | 0 | 0 | 0 | 112.3 | I1084 N1267 F1268 R1330 | I1084-V1086 HydrophobicContact CG2-CB 4.4Å; I1084-V1086 PolarHBondContact O-N 3.12Å; V1086-N1267 PolarHBondContact O-ND2 3.01Å; V1086-F1268 HydrophobicContact CG1-CE1 4.09Å; V1086-F1268 HydrophobicContact CG1-CZ 3.79Å; V1086-R1330 HydrophobicContact CG1-CG 4.16Å |
| 1087 | L | 85.9 | Confident | 87.4 | Confident | 13.6 Ų | 13.6 | 59 Ų | 59 | 7% | 0.071 | 28% | 0.277 | C | S | . | . | trans | -85.7 | 125.6 | -177.5 | -56.6 | 177.2 | 0 | 0 | 0 | 109.6 | R1081 I1084 K1085 F1263 D1265 F1268 | R1081-L1087 HydrophobicContact CG-CD1 3.89Å; I1084-L1087 HydrophobicContact CB-CD1 3.84Å; I1084-L1087 HydrophobicContact CB-CG 4.08Å; I1084-L1087 HydrophobicContact CD1-CD1 3.85Å; I1084-L1087 HydrophobicContact CG1-CD1 4.43Å; I1084-L1087 HydrophobicContact CG2-CD1 3.94Å; I1084-L1087 HydrophobicContact CG2-CG 3.79Å; I1084-L1087 PolarHBondContact O-N 3.03Å; K1085-L1087 VanDerWaalsContact C-N 3.32Å; L1087-F1263 HydrophobicContact CD1-CB 3.98Å; L1087-F1263 HydrophobicContact CD1-CD1 3.85Å; L1087-F1263 HydrophobicContact CD1-CD2 4.48Å; L1087-F1263 HydrophobicContact CD1-CE1 4.46Å; L1087-F1263 HydrophobicContact CD1-CG 3.88Å; L1087-F1263 HydrophobicContact CD2-CB 4.06Å; L1087-D1265 HydrophobicContact CD2-CB 3.72Å; L1087-F1268 HydrophobicContact CD2-CE2 3.87Å; L1087-F1268 HydrophobicContact CD2-CZ 4.34Å | ||
| 1088 | M | 85.6 | Confident | 87.5 | Confident | 107.8 Ų | 107.8 | 60.5 Ų | 60.5 | 53% | 0.531 | 29% | 0.288 | S | S | . | . | trans | -96.1 | -23.7 | 179.7 | -62.5 | -166.9 | -52.7 | 0 | 0 | 112.9 | D1265 I1266 N1267 | M1088-D1265 VanDerWaalsContact N-CG 3.34Å; M1088-D1265 PolarHBondContact N-OD1 3.16Å; M1088-D1265 PolarHBondContact N-OD2 3.07Å; M1088-I1266 HydrophobicContact CB-CG2 3.92Å; M1088-I1266 HydrophobicContact CE-CB 4.28Å; M1088-I1266 HydrophobicContact CE-CG2 3.8Å; M1088-N1267 HydrophobicContact CE-CB 3.95Å; M1088-N1267 HydrophobicContact CG-CB 4.32Å | ||
| 1089 | S | 86.8 | Confident | 87.7 | Confident | 11.6 Ų | 11.6 | 60 Ų | 60 | 8% | 0.081 | 29% | 0.285 | C | S | . | . | trans | -88.1 | 126.8 | -177.1 | 61.7 | 0 | 0 | 0 | 0 | 111.7 | R1081 R1091 M1141 D1265 | R1081-S1089 WeakPolarHBondContact CD-O 3.4Å; R1081-S1089 PolarHBondContact NH1-O 3.11Å; R1081-S1089 PolarHBondContact NH1-OG 3.06Å; S1089-R1091 VanDerWaalsContact C-N 3.34Å; S1089-R1091 PolarHBondContact O-N 3.26Å; S1089-M1141 VanDerWaalsContact OG-CE 3.29Å; S1089-M1141 WeakPolarHBondContact OG-CE 3.25Å; S1089-D1265 WeakPolarHBondContact CB-OD1 3.43Å; S1089-D1265 PolarHBondContact N-OD1 3.12Å; S1089-D1265 PolarHBondContact OG-OD1 3.03Å | ||
| 1090 | P | 86.1 | Confident | 87.9 | Confident | 94.2 Ų | 94.2 | 60.9 Ų | 60.9 | 61% | 0.612 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -75.5 | -25.1 | -173.7 | 28.4 | -35.1 | 0 | 0 | 0 | 113.4 | ||
| 1091 | R | 88 | Confident | 88.1 | Confident | 178.2 Ų | 178.2 | 61 Ų | 61 | 67% | 0.672 | 29% | 0.285 | S | S | * | . | trans | -144 | 145.7 | -178.8 | -58.3 | -174.1 | -177.2 | 156.4 | 0.9 | 110.5 | S1089 | S1089-R1091 VanDerWaalsContact C-N 3.34Å; S1089-R1091 PolarHBondContact O-N 3.26Å | ||
| 1092 | N | 91 | Very high | 88.3 | Confident | 14.6 Ų | 14.6 | 61.9 Ų | 61.9 | 8% | 0.078 | 29% | 0.291 | C | S | . | . | trans | -146.2 | 159.4 | 170.2 | -168.7 | 11.2 | 0 | 0 | 0 | 110.1 | P1072 R1081 M1141 W1142 D1144 A1264 | P1072-N1092 CarbonylContact O-C 3.56Å; R1081-N1092 VanDerWaalsContact NH2-CB 3.31Å; N1092-M1141 HydrophobicContact CB-CE 3.84Å; N1092-M1141 VanDerWaalsContact CB-CE 3.44Å; N1092-M1141 VanDerWaalsContact CG-CE 3.43Å; N1092-M1141 WeakPolarHBondContact ND2-CE 3.42Å; N1092-M1141 WeakPolarHBondContact OD1-CE 3.43Å; N1092-W1142 PolarHBondContact ND2-O 3.23Å; N1092-D1144 PolarHBondContact ND2-N 3.06Å; N1092-D1144 PolarHBondContact ND2-OD1 3.07Å; N1092-A1264 PolarHBondContact ND2-O 3.08Å | ||
| 1093 | S | 92 | Very high | 88.8 | Confident | 26.6 Ų | 26.6 | 55.9 Ų | 55.9 | 19% | 0.186 | 27% | 0.267 | C | S | . | . | trans | -67 | 144 | 165.6 | 61.6 | 0 | 0 | 0 | 0 | 110.8 | V1071 P1072 S1143 D1144 | V1071-S1093 CarbonylContact O-C 3.52Å; V1071-S1093 VanDerWaalsContact O-CA 3.31Å; V1071-S1093 WeakPolarHBondContact O-CA 3.42Å; P1072-S1093 VanDerWaalsContact O-CA 3.28Å; P1072-S1093 WeakPolarHBondContact O-CA 3.4Å; P1072-S1093 PolarHBondContact O-N 2.98Å; S1093-S1143 CarbonylContact O-C 3.49Å; S1093-S1143 WeakPolarHBondContact O-CA 3.4Å; S1093-S1143 VanDerWaalsContact O-CB 3.28Å; S1093-S1143 WeakPolarHBondContact O-CB 3.4Å; S1093-S1143 WeakPolarHBondContact OG-CB 3.3Å; S1093-S1143 PolarHBondContact OG-OG 2.97Å; S1093-D1144 PolarHBondContact O-N 3.07Å | ||
| 1094 | C | 93.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 141 | -177.2 | -171.9 | 0 | 0 | 0 | 0 | 111.2 | K1070 V1071 Y1074 D1144 | K1070-C1094 CarbonylContact C-O 3.6Å; K1070-C1094 WeakPolarHBondContact CA-O 3.23Å; V1071-C1094 PolarHBondContact N-O 3Å; V1071-C1094 PolarHBondContact O-N 3.08Å; Y1074-C1094 HydrophobicContact CD1-CB 4.45Å; C1094-D1144 CarbonylContact C-O 3.55Å; C1094-D1144 VanDerWaalsContact CA-O 3.24Å; C1094-D1144 WeakPolarHBondContact CA-O 3.29Å; C1094-D1144 HydrophobicContact CB-CB 4.15Å |
| 1095 | W | 95.1 | Very high | 90 | Very high | 69.2 Ų | 69.2 | 52.7 Ų | 52.7 | 26% | 0.262 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 121.1 | 163.8 | -77.2 | 100.3 | 0 | 0 | 0 | 109.1 | P1044 I1068 E1069 K1070 D1144 W1145 H1146 | P1044-W1095 HydrophobicContact CB-CH2 4.42Å; P1044-W1095 HydrophobicContact CG-CH2 3.51Å; P1044-W1095 VanDerWaalsContact CG-CH2 3.46Å; P1044-W1095 HydrophobicContact CG-CZ2 4.3Å; P1044-W1095 HydrophobicContact CG-CZ3 4.09Å; I1068-W1095 HydrophobicContact CG2-CE3 3.83Å; I1068-W1095 HydrophobicContact CG2-CZ3 3.98Å; E1069-W1095 CarbonylContact O-C 3.51Å; E1069-W1095 WeakPolarHBondContact O-CA 3.27Å; K1070-W1095 HydrophobicContact CB-CD2 3.93Å; K1070-W1095 HydrophobicContact CB-CE3 3.79Å; K1070-W1095 HydrophobicContact CB-CH2 3.99Å; K1070-W1095 HydrophobicContact CB-CZ2 4.1Å; K1070-W1095 HydrophobicContact CB-CZ3 3.82Å; K1070-W1095 HydrophobicContact CD-CD2 4.46Å; K1070-W1095 HydrophobicContact CD-CH2 4.4Å; K1070-W1095 HydrophobicContact CD-CZ2 3.81Å; K1070-W1095 HydrophobicContact CG-CD2 4.09Å; K1070-W1095 HydrophobicContact CG-CE3 4.42Å; K1070-W1095 HydrophobicContact CG-CG 4.47Å; K1070-W1095 HydrophobicContact CG-CZ2 4.24Å; W1095-D1144 PolarHBondContact N-O 2.97Å; W1095-W1145 AromaticContact CD1-CD1 3.92Å; W1095-W1145 AromaticContact CD1-NE1 3.81Å; W1095-W1145 CarbonylContact O-C 3.47Å; W1095-W1145 WeakPolarHBondContact O-CA 3.38Å; W1095-H1146 PolarHBondContact O-N 3.15Å |
| 1096 | I | 94.4 | Very high | 90.7 | Very high | 6.4 Ų | 6.4 | 45.1 Ų | 45.1 | 3% | 0.033 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 120.1 | 177 | -54.1 | 175.8 | 0 | 0 | 0 | 107.4 | I1068 E1069 V1071 Y1074 H1146 | I1068-I1096 CarbonylContact C-O 3.52Å; I1068-I1096 VanDerWaalsContact CA-O 3.3Å; I1068-I1096 WeakPolarHBondContact CA-O 3.31Å; E1069-I1096 HydrophobicContact CG-CB 3.99Å; E1069-I1096 HydrophobicContact CG-CD1 4.44Å; E1069-I1096 PolarHBondContact N-O 2.97Å; E1069-I1096 PolarHBondContact O-N 3.04Å; V1071-I1096 HydrophobicContact CG2-CD1 3.77Å; V1071-I1096 HydrophobicContact CG2-CG1 4.37Å; Y1074-I1096 HydrophobicContact CD1-CD1 4.3Å; Y1074-I1096 HydrophobicContact CD2-CD1 3.88Å; Y1074-I1096 HydrophobicContact CE1-CD1 4.2Å; Y1074-I1096 HydrophobicContact CE2-CD1 3.77Å; Y1074-I1096 HydrophobicContact CG-CD1 4.16Å; I1096-H1146 CarbonylContact C-O 3.49Å; I1096-H1146 WeakPolarHBondContact CA-O 3.37Å; I1096-H1146 HydrophobicContact CG1-CB 4.45Å |
| 1097 | W | 94 | Very high | 91.1 | Very high | 83.8 Ų | 83.8 | 45 Ų | 45 | 32% | 0.317 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 118.3 | 173.1 | -64 | 59.4 | 0 | 0 | 0 | 106.7 | C1067 I1068 I1099 H1146 I1147 K1148 | C1067-W1097 CarbonylContact O-C 3.49Å; C1067-W1097 WeakPolarHBondContact O-CA 3.36Å; I1068-W1097 HydrophobicContact CD1-CD2 4.06Å; I1068-W1097 HydrophobicContact CD1-CE3 3.61Å; I1068-W1097 HydrophobicContact CD1-CH2 3.91Å; I1068-W1097 HydrophobicContact CD1-CZ2 4.25Å; I1068-W1097 HydrophobicContact CD1-CZ3 3.54Å; I1068-W1097 VanDerWaalsContact CD1-CZ3 3.46Å; I1068-W1097 HydrophobicContact CG1-CD2 3.9Å; I1068-W1097 HydrophobicContact CG1-CE3 3.8Å; I1068-W1097 HydrophobicContact CG1-CG 4.3Å; I1068-W1097 HydrophobicContact CG1-CZ3 4.26Å; I1068-W1097 HydrophobicContact CG2-CD2 4.13Å; I1068-W1097 HydrophobicContact CG2-CE3 4.43Å; I1068-W1097 HydrophobicContact CG2-CG 4.32Å; I1068-W1097 HydrophobicContact CG2-CZ2 4.34Å; W1097-I1099 HydrophobicContact CE3-CD1 4.36Å; W1097-H1146 PolarHBondContact N-O 2.92Å; W1097-I1147 HydrophobicContact CB-CB 4.34Å; W1097-I1147 HydrophobicContact CB-CG1 4.02Å; W1097-I1147 HydrophobicContact CB-CG2 4.27Å; W1097-I1147 HydrophobicContact CG-CG1 4.12Å; W1097-I1147 CarbonylContact O-C 3.53Å; W1097-I1147 WeakPolarHBondContact O-CA 3.36Å; W1097-K1148 PolarHBondContact O-N 3.06Å |
| 1098 | S | 92.5 | Very high | 91.2 | Very high | 33.4 Ų | 33.4 | 49.3 Ų | 49.3 | 23% | 0.234 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 118.1 | 172.6 | -52.9 | 0 | 0 | 0 | 0 | 107.3 | G1065 V1066 C1067 K1148 | G1065-S1098 VanDerWaalsContact O-O 3.08Å; V1066-S1098 CarbonylContact C-O 3.56Å; C1067-S1098 PolarHBondContact N-O 2.96Å; C1067-S1098 PolarHBondContact O-N 3.15Å; S1098-K1148 CarbonylContact C-O 3.46Å; S1098-K1148 WeakPolarHBondContact CA-O 3.35Å; S1098-K1148 VanDerWaalsContact OG-CE 3.26Å; S1098-K1148 WeakPolarHBondContact OG-CE 3.38Å; S1098-K1148 PolarHBondContact OG-NZ 3.26Å |
| 1099 | I | 92.2 | Very high | 91.3 | Very high | 11.8 Ų | 11.8 | 46.1 Ų | 46.1 | 6% | 0.061 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 139 | -177.8 | -60.1 | 161 | 0 | 0 | 0 | 107.2 | L1063 G1065 V1066 W1097 T1101 L1102 K1148 I1149 G1150 | L1063-I1099 HydrophobicContact CB-CG2 4.44Å; L1063-I1099 HydrophobicContact CD2-CD1 3.97Å; L1063-I1099 HydrophobicContact CD2-CG1 4.41Å; L1063-I1099 HydrophobicContact CD2-CG2 4.39Å; G1065-I1099 WeakPolarHBondContact O-CA 3.39Å; V1066-I1099 HydrophobicContact CG2-CG1 4.47Å; W1097-I1099 HydrophobicContact CE3-CD1 4.36Å; I1099-T1101 VanDerWaalsContact CG2-O 3.23Å; I1099-T1101 WeakPolarHBondContact CG2-O 3.33Å; I1099-L1102 HydrophobicContact CG2-CB 4.44Å; I1099-K1148 PolarHBondContact N-O 3.11Å; I1099-I1149 HydrophobicContact CB-CG1 4.21Å; I1099-I1149 HydrophobicContact CB-CG2 4.21Å; I1099-I1149 HydrophobicContact CD1-CD1 4.28Å; I1099-I1149 HydrophobicContact CD1-CG1 4.36Å; I1099-I1149 HydrophobicContact CG2-CG2 4.23Å; I1099-I1149 CarbonylContact O-C 3.52Å; I1099-I1149 VanDerWaalsContact O-CA 3.24Å; I1099-I1149 WeakPolarHBondContact O-CA 3.3Å; I1099-G1150 PolarHBondContact O-N 3.15Å |
| 1100 | K | 89 | Confident | 91.4 | Very high | 90.4 Ų | 90.4 | 46.8 Ų | 46.8 | 39% | 0.393 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -78.8 | -54.3 | 176 | -169.5 | 179.9 | 179.1 | 177.9 | 0 | 111.1 | T1064 G1065 G1150 C1159 C1162 N1163 | T1064-K1100 WeakPolarHBondContact O-CA 3.36Å; T1064-K1100 WeakPolarHBondContact O-CB 3.36Å; T1064-K1100 PolarHBondContact O-N 3.01Å; G1065-K1100 PolarHBondContact O-N 3.07Å; K1100-G1150 WeakPolarHBondContact O-CA 3.33Å; K1100-G1150 PolarHBondContact O-N 3.16Å; K1100-C1159 PolarHBondContact NZ-SG 3.4Å; K1100-C1162 VanDerWaalsContact CE-O 3.29Å; K1100-C1162 WeakPolarHBondContact CE-O 3.5Å; K1100-N1163 VanDerWaalsContact CE-OD1 3.26Å; K1100-N1163 WeakPolarHBondContact CE-OD1 3.37Å; K1100-N1163 VanDerWaalsContact CG-OD1 3.26Å; K1100-N1163 WeakPolarHBondContact CG-OD1 3.26Å; K1100-N1163 WeakPolarHBondContact O-CA 3.32Å |
| 1101 | T | 90.2 | Very high | 91.6 | Very high | 29.2 Ų | 29.2 | 47.9 Ų | 47.9 | 18% | 0.179 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 145.7 | 176.9 | 57 | 0 | 0 | 0 | 0 | 111 | L1063 T1064 I1099 C1162 T1164 | L1063-T1101 CarbonylContact C-O 3.55Å; L1063-T1101 WeakPolarHBondContact CA-O 3.32Å; T1064-T1101 WeakPolarHBondContact CG2-OG1 3.29Å; T1064-T1101 PolarHBondContact N-O 3.16Å; T1064-T1101 VanDerWaalsContact N-O 3.08Å; T1064-T1101 PolarHBondContact O-N 2.94Å; T1064-T1101 WeakPolarHBondContact OG1-CA 3.26Å; T1064-T1101 WeakPolarHBondContact OG1-CB 3.45Å; T1064-T1101 WeakPolarHBondContact OG1-CG2 3.15Å; T1064-T1101 PolarHBondContact OG1-N 3.17Å; T1064-T1101 VanDerWaalsContact OG1-N 3.09Å; T1064-T1101 PolarHBondContact OG1-O 2.84Å; T1064-T1101 PolarHBondContact OG1-OG1 2.97Å; I1099-T1101 VanDerWaalsContact CG2-O 3.23Å; I1099-T1101 WeakPolarHBondContact CG2-O 3.33Å; T1101-C1162 WeakPolarHBondContact CG2-O 3.21Å; T1101-T1164 WeakPolarHBondContact CA-O 3.37Å; T1101-T1164 VanDerWaalsContact CG2-O 3.25Å; T1101-T1164 WeakPolarHBondContact CG2-O 3.47Å |
| 1102 | L | 92.9 | Very high | 91.8 | Very high | 26.6 Ų | 26.6 | 40.7 Ų | 40.7 | 14% | 0.139 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 112.7 | 175.1 | 167.3 | 62.6 | 0 | 0 | 0 | 108.8 | L1063 I1099 I1104 I1149 T1164 V1165 S1166 | L1063-L1102 HydrophobicContact CD1-CD1 4.25Å; L1063-L1102 HydrophobicContact CD2-CD1 3.92Å; L1063-L1102 HydrophobicContact CG-CD1 3.69Å; I1099-L1102 HydrophobicContact CG2-CB 4.44Å; L1102-I1104 HydrophobicContact CD1-CD1 4.4Å; L1102-I1104 HydrophobicContact CD1-CG1 4.02Å; L1102-I1104 HydrophobicContact CD2-CD1 4.47Å; L1102-I1104 HydrophobicContact CG-CD1 4.41Å; L1102-I1104 HydrophobicContact CG-CG1 4.25Å; L1102-I1149 HydrophobicContact CB-CD1 4.44Å; L1102-I1149 HydrophobicContact CB-CG2 4.39Å; L1102-I1149 HydrophobicContact CD2-CD1 3.95Å; L1102-T1164 PolarHBondContact N-O 3.19Å; L1102-T1164 VanDerWaalsContact N-O 3.12Å; L1102-V1165 HydrophobicContact CB-CG1 4.47Å; L1102-V1165 HydrophobicContact CB-CG2 4.38Å; L1102-V1165 HydrophobicContact CD2-CG1 4.03Å; L1102-V1165 HydrophobicContact CD2-CG2 4.43Å; L1102-V1165 HydrophobicContact CG-CG1 4.27Å; L1102-V1165 CarbonylContact O-C 3.53Å; L1102-V1165 VanDerWaalsContact O-CA 3.26Å; L1102-V1165 WeakPolarHBondContact O-CA 3.28Å; L1102-S1166 PolarHBondContact O-N 3.08Å |
| 1103 | A | 92.3 | Very high | 91.8 | Very high | 24.4 Ų | 24.4 | 41.9 Ų | 41.9 | 20% | 0.202 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 125.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | F1061 N1062 S1166 | F1061-A1103 WeakPolarHBondContact CA-O 3.39Å; N1062-A1103 HydrophobicContact CB-CB 4.38Å; N1062-A1103 PolarHBondContact N-O 3.1Å; N1062-A1103 PolarHBondContact O-N 3.15Å; A1103-S1166 CarbonylContact C-O 3.51Å; A1103-S1166 WeakPolarHBondContact CA-O 3.42Å; A1103-S1166 WeakPolarHBondContact CA-OG 3.4Å |
| 1104 | I | 94.4 | Very high | 91.6 | Very high | 26.2 Ų | 26.2 | 42.2 Ų | 42.2 | 13% | 0.134 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 110.6 | 176.1 | -51.7 | -177.4 | 0 | 0 | 0 | 107.3 | V1060 F1061 L1102 F1106 S1166 I1167 E1168 | V1060-I1104 HydrophobicContact CG1-CG2 4.37Å; V1060-I1104 CarbonylContact O-C 3.41Å; V1060-I1104 VanDerWaalsContact O-CA 3.27Å; V1060-I1104 WeakPolarHBondContact O-CA 3.4Å; F1061-I1104 HydrophobicContact CD1-CB 4.42Å; F1061-I1104 HydrophobicContact CD1-CD1 4.01Å; F1061-I1104 HydrophobicContact CD1-CG1 3.81Å; F1061-I1104 HydrophobicContact CD1-CG2 4.01Å; F1061-I1104 HydrophobicContact CE1-CD1 3.97Å; F1061-I1104 HydrophobicContact CE1-CG1 4.18Å; F1061-I1104 HydrophobicContact CE1-CG2 3.84Å; F1061-I1104 HydrophobicContact CZ-CG2 4.46Å; L1102-I1104 HydrophobicContact CD1-CD1 4.4Å; L1102-I1104 HydrophobicContact CD1-CG1 4.02Å; L1102-I1104 HydrophobicContact CD2-CD1 4.47Å; L1102-I1104 HydrophobicContact CG-CD1 4.41Å; L1102-I1104 HydrophobicContact CG-CG1 4.25Å; I1104-F1106 HydrophobicContact CG2-CD2 4.38Å; I1104-F1106 HydrophobicContact CG2-CE1 4.45Å; I1104-F1106 HydrophobicContact CG2-CE2 3.62Å; I1104-F1106 HydrophobicContact CG2-CZ 3.7Å; I1104-S1166 PolarHBondContact N-O 2.87Å; I1104-I1167 HydrophobicContact CB-CG1 4.4Å; I1104-I1167 HydrophobicContact CD1-CG1 4.3Å; I1104-I1167 CarbonylContact O-C 3.52Å; I1104-I1167 WeakPolarHBondContact O-CA 3.35Å; I1104-E1168 PolarHBondContact O-N 3.21Å |
| 1105 | V | 92.5 | Very high | 91.5 | Very high | 35.8 Ų | 35.8 | 42.2 Ų | 42.2 | 22% | 0.217 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 118.2 | -173.8 | -174.7 | 0 | 0 | 0 | 0 | 109.5 | V1060 P1107 E1168 C1170 | V1060-V1105 WeakPolarHBondContact CA-O 3.37Å; V1060-V1105 PolarHBondContact O-N 2.98Å; V1105-P1107 WeakPolarHBondContact O-CD 3.42Å; V1105-E1168 WeakPolarHBondContact CA-O 3.3Å; V1105-E1168 HydrophobicContact CG1-CB 4.47Å; V1105-E1168 HydrophobicContact CG1-CG 4.46Å; V1105-E1168 HydrophobicContact CG2-CB 4.37Å; V1105-C1170 VanDerWaalsContact CG1-SG 3.56Å |
| 1106 | F | 93.6 | Very high | 91.3 | Very high | 29.6 Ų | 29.6 | 42.8 Ų | 42.8 | 13% | 0.13 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 110.9 | 175.5 | -63.9 | -74.2 | 0 | 0 | 0 | 110.1 | V1060 I1104 F1112 I1167 E1168 I1169 C1170 I1441 | V1060-F1106 HydrophobicContact CG1-CD1 4.06Å; V1060-F1106 HydrophobicContact CG1-CE1 3.83Å; V1060-F1106 HydrophobicContact CG1-CZ 4.47Å; I1104-F1106 HydrophobicContact CG2-CD2 4.38Å; I1104-F1106 HydrophobicContact CG2-CE1 4.45Å; I1104-F1106 HydrophobicContact CG2-CE2 3.62Å; I1104-F1106 HydrophobicContact CG2-CZ 3.7Å; F1106-F1112 HydrophobicContact CD1-CB 4.28Å; F1106-F1112 HydrophobicContact CD1-CD1 4.47Å; F1106-F1112 HydrophobicContact CD1-CD2 4.49Å; F1106-F1112 HydrophobicContact CD1-CG 4.22Å; F1106-F1112 HydrophobicContact CE1-CB 4.37Å; F1106-F1112 AromaticContact CE1-CD1 3.8Å; F1106-F1112 HydrophobicContact CE1-CD1 3.84Å; F1106-F1112 HydrophobicContact CE1-CD2 4.14Å; F1106-F1112 HydrophobicContact CE1-CE1 4.14Å; F1106-F1112 HydrophobicContact CE1-CE2 4.37Å; F1106-F1112 AromaticContact CE1-CG 3.84Å; F1106-F1112 HydrophobicContact CE1-CG 3.84Å; F1106-F1112 HydrophobicContact CE1-CZ 4.32Å; F1106-I1167 HydrophobicContact CE2-CG2 4.31Å; F1106-E1168 PolarHBondContact N-O 3.11Å; F1106-I1169 HydrophobicContact CD2-CG1 4.45Å; F1106-C1170 WeakPolarHBondContact O-CB 3.34Å; F1106-C1170 PolarHBondContact O-N 3.01Å; F1106-C1170 PolarHBondContact O-SG 2.71Å; F1106-I1441 HydrophobicContact CB-CD1 3.82Å; F1106-I1441 HydrophobicContact CB-CG1 4.16Å; F1106-I1441 HydrophobicContact CD1-CD1 4.07Å; F1106-I1441 HydrophobicContact CD1-CG1 3.83Å; F1106-I1441 HydrophobicContact CD1-CG2 4.3Å; F1106-I1441 HydrophobicContact CD2-CD1 3.58Å; F1106-I1441 HydrophobicContact CD2-CG1 4.27Å; F1106-I1441 HydrophobicContact CE1-CG1 4.29Å; F1106-I1441 HydrophobicContact CE1-CG2 3.89Å; F1106-I1441 HydrophobicContact CE2-CD1 4.13Å; F1106-I1441 HydrophobicContact CE2-CG2 4.33Å; F1106-I1441 HydrophobicContact CG-CD1 3.54Å; F1106-I1441 HydrophobicContact CG-CG1 3.81Å; F1106-I1441 HydrophobicContact CZ-CG2 3.9Å |
| 1107 | P | 90.8 | Very high | 90.9 | Very high | 32.6 Ų | 32.6 | 44.1 Ų | 44.1 | 21% | 0.212 | 23% | 0.23 | C | C | . | . | trans | -62.7 | 153.5 | 178.8 | -14.4 | 24.2 | 0 | 0 | 0 | 112.6 | H1058 V1105 G1109 Y1110 | H1058-P1107 HydrophobicContact CB-CG 3.79Å; V1105-P1107 WeakPolarHBondContact O-CD 3.42Å; P1107-G1109 PolarHBondContact O-N 2.86Å; P1107-Y1110 HydrophobicContact CG-CD1 4.31Å; P1107-Y1110 HydrophobicContact CG-CG 4.15Å; P1107-Y1110 WeakPolarHBondContact O-CB 3.38Å; P1107-Y1110 PolarHBondContact O-N 2.92Å | ||
| 1108 | Y | 88.3 | Confident | 90.7 | Very high | 102.2 Ų | 102.2 | 40.7 Ų | 40.7 | 40% | 0.401 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 136.2 | 175.6 | 176.8 | -104.5 | 0 | 0 | 0 | 111.3 | Y1110 D1171 D1172 M1433 | Y1108-Y1110 PolarHBondContact O-N 2.97Å; Y1108-Y1110 VanDerWaalsContact O-N 3.12Å; Y1108-D1171 VanDerWaalsContact CB-O 3.27Å; Y1108-D1171 WeakPolarHBondContact CB-O 3.39Å; Y1108-D1172 HydrophobicContact CD1-CB 4.21Å; Y1108-D1172 VanDerWaalsContact CD2-CA 3.49Å; Y1108-D1172 HydrophobicContact CD2-CB 4.17Å; Y1108-D1172 HydrophobicContact CE1-CB 3.94Å; Y1108-D1172 VanDerWaalsContact CE1-CG 3.5Å; Y1108-D1172 VanDerWaalsContact CE1-OD2 3.28Å; Y1108-D1172 WeakPolarHBondContact CE1-OD2 3.34Å; Y1108-D1172 HydrophobicContact CE2-CB 3.74Å; Y1108-D1172 HydrophobicContact CG-CB 4.4Å; Y1108-D1172 VanDerWaalsContact CZ-CB 3.5Å; Y1108-D1172 VanDerWaalsContact CZ-CG 3.47Å; Y1108-D1172 PolarHBondContact OH-OD2 3.1Å; Y1108-M1433 HydrophobicContact CE2-CE 4.43Å |
| 1109 | G | 86.9 | Confident | 90.6 | Very high | 40.8 Ų | 40.8 | 41.6 Ų | 41.6 | 42% | 0.421 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | -4.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | P1107 H1111 | P1107-G1109 PolarHBondContact O-N 2.86Å; G1109-H1111 PolarHBondContact O-CD2 3.17Å; G1109-H1111 PolarHBondContact O-N 3.1Å |
| 1110 | Y | 90.2 | Very high | 90.4 | Very high | 27.6 Ų | 27.6 | 43.3 Ų | 43.3 | 11% | 0.108 | 23% | 0.227 | C | C | . | . | trans | -78.4 | 122.4 | -176.5 | 179.2 | -123.7 | 0 | 0 | 0 | 112.8 | C1055 D1056 H1058 V1060 P1107 Y1108 F1112 I1115 L1440 | C1055-Y1110 VanDerWaalsContact C-OH 3.29Å; C1055-Y1110 HydrophobicContact CB-CE1 4.16Å; C1055-Y1110 VanDerWaalsContact CB-OH 3.31Å; C1055-Y1110 WeakPolarHBondContact CB-OH 3.27Å; C1055-Y1110 PolarHBondContact O-OH 3.17Å; D1056-Y1110 HydrophobicContact CB-CE2 3.84Å; D1056-Y1110 VanDerWaalsContact CG-OH 3.3Å; D1056-Y1110 WeakPolarHBondContact OD2-CE2 3.26Å; D1056-Y1110 PolarHBondContact OD2-OH 3.21Å; H1058-Y1110 AromaticContact CD2-CD2 3.65Å; H1058-Y1110 VanDerWaalsContact CD2-CD2 3.43Å; H1058-Y1110 WeakPolarHBondContact CD2-CD2 3.47Å; H1058-Y1110 AromaticContact CD2-CE2 3.81Å; H1058-Y1110 AromaticContact CD2-CG 3.76Å; H1058-Y1110 AromaticContact NE2-CD2 3.88Å; V1060-Y1110 HydrophobicContact CG2-CE1 4.17Å; P1107-Y1110 HydrophobicContact CG-CD1 4.31Å; P1107-Y1110 HydrophobicContact CG-CG 4.15Å; P1107-Y1110 WeakPolarHBondContact O-CB 3.38Å; P1107-Y1110 PolarHBondContact O-N 2.92Å; Y1108-Y1110 PolarHBondContact O-N 2.97Å; Y1108-Y1110 VanDerWaalsContact O-N 3.12Å; Y1110-F1112 VanDerWaalsContact C-N 3.28Å; Y1110-F1112 HydrophobicContact CD1-CB 4.03Å; Y1110-F1112 HydrophobicContact CE1-CB 3.87Å; Y1110-F1112 AromaticContact CE1-CD2 3.95Å; Y1110-F1112 HydrophobicContact CE1-CD2 4.04Å; Y1110-F1112 HydrophobicContact CE1-CG 4.45Å; Y1110-F1112 PolarHBondContact O-N 3.08Å; Y1110-I1115 VanDerWaalsContact OH-CG2 3.3Å; Y1110-I1115 WeakPolarHBondContact OH-CG2 3.41Å; Y1110-L1440 WeakPolarHBondContact O-CB 3.32Å | ||
| 1111 | H | 89.4 | Confident | 90.3 | Very high | 116.4 Ų | 116.4 | 39 Ų | 39 | 54% | 0.539 | 21% | 0.209 | S | C | . | . | trans | -81.5 | 63.4 | -179.9 | -70.6 | -90.2 | 0 | 0 | 0 | 112.8 | G1109 N1113 A1114 L1440 | G1109-H1111 PolarHBondContact O-CD2 3.17Å; G1109-H1111 PolarHBondContact O-N 3.1Å; H1111-N1113 PolarHBondContact O-N 2.97Å; H1111-N1113 VanDerWaalsContact O-N 3.1Å; H1111-A1114 HydrophobicContact CB-CB 4.48Å; H1111-A1114 WeakPolarHBondContact O-CB 3.28Å; H1111-A1114 PolarHBondContact O-N 3.11Å; H1111-A1114 VanDerWaalsContact O-N 3.08Å; H1111-L1440 VanDerWaalsContact CE1-CD2 3.43Å; H1111-L1440 WeakPolarHBondContact CE1-CD2 3.19Å | ||
| 1112 | F | 92.5 | Very high | 90.3 | Very high | 26.6 Ų | 26.6 | 38 Ų | 38 | 12% | 0.117 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -54.3 | -28.2 | 179.2 | 177.8 | -99.3 | 0 | 0 | 0 | 113.7 | V1060 F1061 F1106 Y1110 A1114 I1115 H1116 L1440 I1441 | V1060-F1112 HydrophobicContact CG1-CD2 4.45Å; V1060-F1112 HydrophobicContact CG1-CE2 4.31Å; V1060-F1112 HydrophobicContact CG2-CD2 4.47Å; F1061-F1112 HydrophobicContact CE2-CE2 4.19Å; F1061-F1112 HydrophobicContact CE2-CZ 4.32Å; F1061-F1112 HydrophobicContact CZ-CE2 4.45Å; F1061-F1112 HydrophobicContact CZ-CZ 4.19Å; F1106-F1112 HydrophobicContact CD1-CB 4.28Å; F1106-F1112 HydrophobicContact CD1-CD1 4.47Å; F1106-F1112 HydrophobicContact CD1-CD2 4.49Å; F1106-F1112 HydrophobicContact CD1-CG 4.22Å; F1106-F1112 HydrophobicContact CE1-CB 4.37Å; F1106-F1112 AromaticContact CE1-CD1 3.8Å; F1106-F1112 HydrophobicContact CE1-CD1 3.84Å; F1106-F1112 HydrophobicContact CE1-CD2 4.14Å; F1106-F1112 HydrophobicContact CE1-CE1 4.14Å; F1106-F1112 HydrophobicContact CE1-CE2 4.37Å; F1106-F1112 AromaticContact CE1-CG 3.84Å; F1106-F1112 HydrophobicContact CE1-CG 3.84Å; F1106-F1112 HydrophobicContact CE1-CZ 4.32Å; Y1110-F1112 VanDerWaalsContact C-N 3.28Å; Y1110-F1112 HydrophobicContact CD1-CB 4.03Å; Y1110-F1112 HydrophobicContact CE1-CB 3.87Å; Y1110-F1112 AromaticContact CE1-CD2 3.95Å; Y1110-F1112 HydrophobicContact CE1-CD2 4.04Å; Y1110-F1112 HydrophobicContact CE1-CG 4.45Å; Y1110-F1112 PolarHBondContact O-N 3.08Å; F1112-A1114 VanDerWaalsContact C-N 3.27Å; F1112-A1114 PolarHBondContact O-N 3.06Å; F1112-I1115 HydrophobicContact CD2-CG2 4.04Å; F1112-I1115 HydrophobicContact CE2-CG2 4.4Å; F1112-I1115 VanDerWaalsContact O-CG2 3.23Å; F1112-I1115 WeakPolarHBondContact O-CG2 3.25Å; F1112-H1116 HydrophobicContact CD1-CB 4.29Å; F1112-H1116 HydrophobicContact CE1-CB 3.96Å; F1112-H1116 HydrophobicContact CZ-CB 4.33Å; F1112-H1116 VanDerWaalsContact O-CB 3.27Å; F1112-H1116 WeakPolarHBondContact O-CB 3.33Å; F1112-H1116 PolarHBondContact O-N 3.07Å; F1112-H1116 VanDerWaalsContact O-N 3.1Å; F1112-L1440 PolarHBondContact N-O 3.16Å; F1112-I1441 HydrophobicContact CD1-CG2 4.09Å |
| 1113 | N | 90 | Very high | 90 | Very high | 40.8 Ų | 40.8 | 43.9 Ų | 43.9 | 22% | 0.218 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.8 | -29.2 | 177.5 | 77.2 | 18.5 | 0 | 0 | 0 | 113.9 | H1111 H1116 E1117 A1439 L1440 I1441 R1442 R1443 | H1111-N1113 PolarHBondContact O-N 2.97Å; H1111-N1113 VanDerWaalsContact O-N 3.1Å; N1113-H1116 PolarHBondContact O-N 2.77Å; N1113-E1117 WeakPolarHBondContact O-CB 3.36Å; N1113-E1117 WeakPolarHBondContact O-CG 3.38Å; N1113-E1117 PolarHBondContact O-N 3.06Å; N1113-E1117 VanDerWaalsContact O-N 3.11Å; N1113-A1439 PolarHBondContact ND2-O 2.97Å; N1113-L1440 VanDerWaalsContact CB-O 3.25Å; N1113-L1440 WeakPolarHBondContact CB-O 3.38Å; N1113-L1440 PolarHBondContact N-O 3.38Å; N1113-L1440 PolarHBondContact ND2-O 2.8Å; N1113-L1440 PolarHBondContact OD1-O 2.83Å; N1113-I1441 WeakPolarHBondContact CB-O 3.45Å; N1113-R1442 PolarHBondContact ND2-O 2.74Å; N1113-R1443 HydrophobicContact CB-CB 4.21Å |
| 1114 | A | 89.5 | Confident | 89.6 | Confident | 31.6 Ų | 31.6 | 45.7 Ų | 45.7 | 26% | 0.261 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -70.7 | -54 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | H1026 H1111 F1112 H1116 E1117 Q1118 | H1026-A1114 WeakPolarHBondContact NE2-CB 3.33Å; H1111-A1114 HydrophobicContact CB-CB 4.48Å; H1111-A1114 WeakPolarHBondContact O-CB 3.28Å; H1111-A1114 PolarHBondContact O-N 3.11Å; H1111-A1114 VanDerWaalsContact O-N 3.08Å; F1112-A1114 VanDerWaalsContact C-N 3.27Å; F1112-A1114 PolarHBondContact O-N 3.06Å; A1114-H1116 VanDerWaalsContact C-N 3.32Å; A1114-H1116 PolarHBondContact O-N 2.99Å; A1114-E1117 WeakPolarHBondContact O-CA 3.49Å; A1114-E1117 WeakPolarHBondContact O-CB 3.35Å; A1114-E1117 PolarHBondContact O-N 2.93Å; A1114-E1117 VanDerWaalsContact O-N 3.15Å; A1114-Q1118 PolarHBondContact O-N 3.18Å; A1114-Q1118 VanDerWaalsContact O-N 3.12Å |
| 1115 | I | 91 | Very high | 89.3 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62 | -40.6 | 175.3 | -170.3 | 170 | 0 | 0 | 0 | 111.6 | L1022 H1026 N1027 L1028 C1055 Y1110 F1112 E1117 Q1118 I1119 | L1022-I1115 HydrophobicContact CD1-CD1 4.47Å; L1022-I1115 HydrophobicContact CD1-CG1 3.97Å; H1026-I1115 HydrophobicContact CB-CB 4.43Å; H1026-I1115 HydrophobicContact CB-CD1 4.35Å; H1026-I1115 HydrophobicContact CB-CG1 4.12Å; N1027-I1115 WeakPolarHBondContact O-CD1 3.38Å; L1028-I1115 HydrophobicContact CB-CD1 4.24Å; C1055-I1115 HydrophobicContact CB-CD1 3.84Å; C1055-I1115 HydrophobicContact CB-CG2 4.26Å; Y1110-I1115 VanDerWaalsContact OH-CG2 3.3Å; Y1110-I1115 WeakPolarHBondContact OH-CG2 3.41Å; F1112-I1115 HydrophobicContact CD2-CG2 4.04Å; F1112-I1115 HydrophobicContact CE2-CG2 4.4Å; F1112-I1115 VanDerWaalsContact O-CG2 3.23Å; F1112-I1115 WeakPolarHBondContact O-CG2 3.25Å; I1115-E1117 VanDerWaalsContact C-N 3.33Å; I1115-E1117 PolarHBondContact O-N 3.1Å; I1115-Q1118 PolarHBondContact O-N 3.1Å; I1115-Q1118 VanDerWaalsContact O-N 3.09Å; I1115-I1119 HydrophobicContact CG1-CD1 4.07Å; I1115-I1119 HydrophobicContact CG1-CG1 4.31Å; I1115-I1119 VanDerWaalsContact O-CG1 3.3Å; I1115-I1119 WeakPolarHBondContact O-CG1 3.38Å; I1115-I1119 PolarHBondContact O-N 3.02Å |
| 1116 | H | 90.4 | Very high | 89 | Confident | 82.6 Ų | 82.6 | 44.2 Ų | 44.2 | 38% | 0.382 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.3 | -37.5 | 177.7 | 175.4 | -109.5 | 0 | 0 | 0 | 111.8 | F1112 N1113 A1114 Q1118 I1119 I1120 | F1112-H1116 HydrophobicContact CD1-CB 4.29Å; F1112-H1116 HydrophobicContact CE1-CB 3.96Å; F1112-H1116 HydrophobicContact CZ-CB 4.33Å; F1112-H1116 VanDerWaalsContact O-CB 3.27Å; F1112-H1116 WeakPolarHBondContact O-CB 3.33Å; F1112-H1116 PolarHBondContact O-N 3.07Å; F1112-H1116 VanDerWaalsContact O-N 3.1Å; N1113-H1116 PolarHBondContact O-N 2.77Å; A1114-H1116 VanDerWaalsContact C-N 3.32Å; A1114-H1116 PolarHBondContact O-N 2.99Å; H1116-Q1118 VanDerWaalsContact C-N 3.32Å; H1116-Q1118 PolarHBondContact O-N 2.76Å; H1116-I1119 PolarHBondContact O-N 3.28Å; H1116-I1120 VanDerWaalsContact CE1-CD1 3.44Å; H1116-I1120 WeakPolarHBondContact CE1-CD1 3.31Å; H1116-I1120 WeakPolarHBondContact NE2-CD1 3.41Å; H1116-I1120 VanDerWaalsContact O-CG1 3.3Å; H1116-I1120 WeakPolarHBondContact O-CG1 3.35Å; H1116-I1120 PolarHBondContact O-N 3.21Å; H1116-I1120 VanDerWaalsContact O-N 3.12Å |
| 1117 | E | 86.7 | Confident | 88.5 | Confident | 33.2 Ų | 33.2 | 47.9 Ų | 47.9 | 16% | 0.155 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.8 | -45 | 172.6 | -167.5 | 170 | 174.1 | 0 | 0 | 112 | N1113 A1114 I1115 I1119 I1120 N1121 R1361 R1378 R1443 | N1113-E1117 WeakPolarHBondContact O-CB 3.36Å; N1113-E1117 WeakPolarHBondContact O-CG 3.38Å; N1113-E1117 PolarHBondContact O-N 3.06Å; N1113-E1117 VanDerWaalsContact O-N 3.11Å; A1114-E1117 WeakPolarHBondContact O-CA 3.49Å; A1114-E1117 WeakPolarHBondContact O-CB 3.35Å; A1114-E1117 PolarHBondContact O-N 2.93Å; A1114-E1117 VanDerWaalsContact O-N 3.15Å; I1115-E1117 VanDerWaalsContact C-N 3.33Å; I1115-E1117 PolarHBondContact O-N 3.1Å; E1117-I1119 VanDerWaalsContact C-N 3.32Å; E1117-I1119 PolarHBondContact O-N 3.29Å; E1117-I1120 PolarHBondContact O-N 3.01Å; E1117-N1121 WeakPolarHBondContact O-CB 2.99Å; E1117-N1121 VanDerWaalsContact O-CG 3.27Å; E1117-N1121 PolarHBondContact O-N 3.05Å; E1117-N1121 PolarHBondContact O-ND2 3.15Å; E1117-N1121 PolarHBondContact O-OD1 3.16Å; E1117-R1361 IonicContact OE1-CZ 3.14Å; E1117-R1361 VanDerWaalsContact OE1-CZ 3.25Å; E1117-R1361 IonicContact OE1-NH1 3.23Å; E1117-R1361 PolarHBondContact OE1-NH1 2.97Å; E1117-R1361 IonicContact OE1-NH2 3.45Å; E1117-R1361 PolarHBondContact OE1-NH2 3.21Å; E1117-R1361 IonicContact OE2-NH2 3.46Å; E1117-R1361 PolarHBondContact OE2-NH2 2.78Å; E1117-R1378 PolarHBondContact O-NH2 2.99Å; E1117-R1378 IonicContact OE1-NH1 2.82Å; E1117-R1443 IonicContact OE1-CZ 3.4Å; E1117-R1443 IonicContact OE1-NH1 3.08Å; E1117-R1443 PolarHBondContact OE1-NH1 2.85Å; E1117-R1443 IonicContact OE1-NH2 2.87Å; E1117-R1443 PolarHBondContact OE1-NH2 3.47Å; E1117-R1443 WeakPolarHBondContact OE2-CD 3.45Å; E1117-R1443 IonicContact OE2-CZ 3.48Å; E1117-R1443 IonicContact OE2-NE 3.11Å; E1117-R1443 PolarHBondContact OE2-NE 3.37Å; E1117-R1443 IonicContact OE2-NH1 3.34Å; E1117-R1443 PolarHBondContact OE2-NH1 3.17Å; E1117-R1443 IonicContact OE2-NH2 3.8Å; E1117-R1443 PolarHBondContact OE2-NH2 2.96Å |
| 1118 | Q | 89.3 | Confident | 88.1 | Confident | 12.4 Ų | 12.4 | 48.8 Ų | 48.8 | 6% | 0.058 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.9 | -36.3 | 178.5 | -62.9 | -57.6 | -8.2 | 0 | 0 | 112.8 | L1022 E1024 A1114 I1115 H1116 I1120 N1121 A1122 | L1022-Q1118 HydrophobicContact CB-CB 4.1Å; L1022-Q1118 HydrophobicContact CD1-CB 4.11Å; E1024-Q1118 VanDerWaalsContact CD-NE2 3.27Å; E1024-Q1118 PolarHBondContact OE1-NE2 2.9Å; E1024-Q1118 PolarHBondContact OE2-NE2 3.23Å; A1114-Q1118 PolarHBondContact O-N 3.18Å; A1114-Q1118 VanDerWaalsContact O-N 3.12Å; I1115-Q1118 PolarHBondContact O-N 3.1Å; I1115-Q1118 VanDerWaalsContact O-N 3.09Å; H1116-Q1118 VanDerWaalsContact C-N 3.32Å; H1116-Q1118 PolarHBondContact O-N 2.76Å; Q1118-I1120 VanDerWaalsContact C-N 3.33Å; Q1118-I1120 PolarHBondContact O-N 2.94Å; Q1118-N1121 WeakPolarHBondContact O-CB 3.42Å; Q1118-N1121 PolarHBondContact O-N 3.27Å; Q1118-N1121 VanDerWaalsContact O-N 3.08Å; Q1118-N1121 PolarHBondContact OE1-ND2 3.19Å; Q1118-A1122 VanDerWaalsContact O-CB 3.31Å; Q1118-A1122 WeakPolarHBondContact O-CB 3.42Å; Q1118-A1122 PolarHBondContact O-N 2.99Å |
| 1119 | I | 90.5 | Very high | 87.6 | Confident | 52.8 Ų | 52.8 | 45.4 Ų | 45.4 | 27% | 0.271 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.9 | -47 | 172.4 | -68.2 | 166.9 | 0 | 0 | 0 | 110.4 | L1022 L1028 I1115 H1116 E1117 N1121 A1122 W1123 | L1022-I1119 HydrophobicContact CD1-CG1 3.64Å; L1028-I1119 HydrophobicContact CD1-CD1 4.27Å; L1028-I1119 HydrophobicContact CD2-CD1 3.88Å; L1028-I1119 HydrophobicContact CD2-CG1 4.11Å; I1115-I1119 HydrophobicContact CG1-CD1 4.07Å; I1115-I1119 HydrophobicContact CG1-CG1 4.31Å; I1115-I1119 VanDerWaalsContact O-CG1 3.3Å; I1115-I1119 WeakPolarHBondContact O-CG1 3.38Å; I1115-I1119 PolarHBondContact O-N 3.02Å; H1116-I1119 PolarHBondContact O-N 3.28Å; E1117-I1119 VanDerWaalsContact C-N 3.32Å; E1117-I1119 PolarHBondContact O-N 3.29Å; I1119-N1121 VanDerWaalsContact C-N 3.33Å; I1119-N1121 PolarHBondContact O-N 3.02Å; I1119-A1122 PolarHBondContact O-N 3.1Å; I1119-W1123 WeakPolarHBondContact O-CB 3.36Å; I1119-W1123 PolarHBondContact O-N 3.13Å |
| 1120 | I | 87.2 | Confident | 86.8 | Confident | 46.8 Ų | 46.8 | 52 Ų | 52 | 24% | 0.24 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.1 | -38.2 | 177.9 | -64.6 | 166.6 | 0 | 0 | 0 | 111 | H1116 E1117 Q1118 W1123 K1124 R1378 | H1116-I1120 VanDerWaalsContact CE1-CD1 3.44Å; H1116-I1120 WeakPolarHBondContact CE1-CD1 3.31Å; H1116-I1120 WeakPolarHBondContact NE2-CD1 3.41Å; H1116-I1120 VanDerWaalsContact O-CG1 3.3Å; H1116-I1120 WeakPolarHBondContact O-CG1 3.35Å; H1116-I1120 PolarHBondContact O-N 3.21Å; H1116-I1120 VanDerWaalsContact O-N 3.12Å; E1117-I1120 PolarHBondContact O-N 3.01Å; Q1118-I1120 VanDerWaalsContact C-N 3.33Å; Q1118-I1120 PolarHBondContact O-N 2.94Å; I1120-W1123 PolarHBondContact O-N 3.07Å; I1120-K1124 HydrophobicContact CG2-CD 4.34Å; I1120-K1124 HydrophobicContact CG2-CG 4.4Å; I1120-K1124 WeakPolarHBondContact O-CB 3.44Å; I1120-K1124 WeakPolarHBondContact O-CG 3.33Å; I1120-K1124 PolarHBondContact O-N 3.05Å; I1120-R1378 VanDerWaalsContact C-NH2 3.34Å; I1120-R1378 VanDerWaalsContact CB-NH2 3.34Å; I1120-R1378 VanDerWaalsContact CG2-CZ 3.45Å |
| 1121 | N | 88.7 | Confident | 85.2 | Confident | 0.8 Ų | 0.8 | 54.6 Ų | 54.6 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.7 | -49.5 | 176.8 | -72.2 | -24.1 | 0 | 0 | 0 | 110.7 | E1117 Q1118 I1119 W1123 K1124 W1125 F1365 L1376 R1378 | E1117-N1121 WeakPolarHBondContact O-CB 2.99Å; E1117-N1121 VanDerWaalsContact O-CG 3.27Å; E1117-N1121 PolarHBondContact O-N 3.05Å; E1117-N1121 PolarHBondContact O-ND2 3.15Å; E1117-N1121 PolarHBondContact O-OD1 3.16Å; Q1118-N1121 WeakPolarHBondContact O-CB 3.42Å; Q1118-N1121 PolarHBondContact O-N 3.27Å; Q1118-N1121 VanDerWaalsContact O-N 3.08Å; Q1118-N1121 PolarHBondContact OE1-ND2 3.19Å; I1119-N1121 VanDerWaalsContact C-N 3.33Å; I1119-N1121 PolarHBondContact O-N 3.02Å; N1121-W1123 VanDerWaalsContact C-N 3.31Å; N1121-W1123 PolarHBondContact O-N 3.02Å; N1121-K1124 PolarHBondContact O-N 3.11Å; N1121-W1125 VanDerWaalsContact O-CB 3.28Å; N1121-W1125 WeakPolarHBondContact O-CB 3.32Å; N1121-W1125 PolarHBondContact O-N 3.18Å; N1121-F1365 HydrophobicContact CB-CD2 3.66Å; N1121-F1365 VanDerWaalsContact CB-CD2 3.44Å; N1121-F1365 HydrophobicContact CB-CE2 3.9Å; N1121-F1365 HydrophobicContact CB-CG 4.35Å; N1121-L1376 HydrophobicContact CB-CD1 4.18Å; N1121-L1376 WeakPolarHBondContact O-CD1 3.38Å; N1121-R1378 WeakPolarHBondContact OD1-CD 3.43Å; N1121-R1378 PolarHBondContact OD1-NE 2.98Å; N1121-R1378 PolarHBondContact OD1-NH2 3.17Å |
| 1122 | A | 89.5 | Confident | 83.3 | Confident | 7.8 Ų | 7.8 | 54.3 Ų | 54.3 | 6% | 0.064 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58 | -44.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | W959 L1022 Q1118 I1119 W1125 V1126 F1365 | W959-A1122 HydrophobicContact CH2-CB 4.23Å; L1022-A1122 HydrophobicContact CD2-CB 3.68Å; Q1118-A1122 VanDerWaalsContact O-CB 3.31Å; Q1118-A1122 WeakPolarHBondContact O-CB 3.42Å; Q1118-A1122 PolarHBondContact O-N 2.99Å; I1119-A1122 PolarHBondContact O-N 3.1Å; A1122-W1125 PolarHBondContact O-N 3.07Å; A1122-V1126 WeakPolarHBondContact O-CB 3.47Å; A1122-V1126 VanDerWaalsContact O-CG2 3.3Å; A1122-V1126 WeakPolarHBondContact O-CG2 3.37Å; A1122-V1126 PolarHBondContact O-N 3.12Å; A1122-F1365 HydrophobicContact CB-CE2 4.18Å; A1122-F1365 HydrophobicContact CB-CZ 3.89Å |
| 1123 | W | 86.9 | Confident | 81 | Confident | 150.8 Ų | 150.8 | 56.2 Ų | 56.2 | 57% | 0.571 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -65.6 | -42.6 | 177.8 | -175.3 | 75.4 | 0 | 0 | 0 | 113.2 | I1119 I1120 N1121 W1125 V1126 K1127 | I1119-W1123 WeakPolarHBondContact O-CB 3.36Å; I1119-W1123 PolarHBondContact O-N 3.13Å; I1120-W1123 PolarHBondContact O-N 3.07Å; N1121-W1123 VanDerWaalsContact C-N 3.31Å; N1121-W1123 PolarHBondContact O-N 3.02Å; W1123-W1125 VanDerWaalsContact C-N 3.34Å; W1123-W1125 PolarHBondContact O-N 3.3Å; W1123-V1126 PolarHBondContact O-N 3.05Å; W1123-K1127 HydrophobicContact CD2-CD 4.09Å; W1123-K1127 HydrophobicContact CE3-CD 4.11Å; W1123-K1127 HydrophobicContact CH2-CD 4.22Å; W1123-K1127 VanDerWaalsContact CH2-CE 3.48Å; W1123-K1127 HydrophobicContact CZ2-CD 4.1Å; W1123-K1127 VanDerWaalsContact CZ2-CE 3.42Å; W1123-K1127 HydrophobicContact CZ3-CD 4.16Å; W1123-K1127 WeakPolarHBondContact O-CB 3.32Å; W1123-K1127 WeakPolarHBondContact O-CG 3.31Å; W1123-K1127 PolarHBondContact O-N 3.09Å |
| 1124 | K | 84.1 | Confident | 78.7 | Confident | 63 Ų | 63 | 64.4 Ų | 64.4 | 27% | 0.274 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.1 | -41.4 | 175 | -79.7 | -171.6 | 172.4 | -166.8 | 0 | 111.6 | I1120 N1121 K1127 S1128 R1378 | I1120-K1124 HydrophobicContact CG2-CD 4.34Å; I1120-K1124 HydrophobicContact CG2-CG 4.4Å; I1120-K1124 WeakPolarHBondContact O-CB 3.44Å; I1120-K1124 WeakPolarHBondContact O-CG 3.33Å; I1120-K1124 PolarHBondContact O-N 3.05Å; N1121-K1124 PolarHBondContact O-N 3.11Å; K1124-K1127 WeakPolarHBondContact O-CB 3.33Å; K1124-K1127 PolarHBondContact O-N 2.94Å; K1124-S1128 PolarHBondContact O-N 3.29Å; K1124-R1378 VanDerWaalsContact NZ-NH1 3.12Å |
| 1125 | W | 88 | Confident | 76.2 | Confident | 4 Ų | 4 | 71 Ų | 71 | 2% | 0.015 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.6 | -49.9 | 175.2 | 170.2 | 67.7 | 0 | 0 | 0 | 112.2 | W959 P961 H964 M965 N1121 A1122 W1123 K1127 S1128 L1129 F1365 L1367 L1376 | W959-W1125 HydrophobicContact CH2-CE3 4.46Å; W959-W1125 AromaticContact CH2-CZ3 3.92Å; W959-W1125 HydrophobicContact CH2-CZ3 4.02Å; W959-W1125 AromaticContact CZ2-CZ3 3.87Å; W959-W1125 HydrophobicContact CZ2-CZ3 3.87Å; P961-W1125 HydrophobicContact CB-CH2 4.07Å; P961-W1125 HydrophobicContact CB-CZ3 4.12Å; P961-W1125 WeakPolarHBondContact O-CH2 3.31Å; H964-W1125 HydrophobicContact CB-CH2 3.98Å; H964-W1125 HydrophobicContact CB-CZ3 4.28Å; H964-W1125 AromaticContact CD2-CH2 3.58Å; H964-W1125 VanDerWaalsContact CD2-CH2 3.49Å; H964-W1125 WeakPolarHBondContact CD2-CH2 3.42Å; H964-W1125 AromaticContact CD2-CZ3 3.89Å; H964-W1125 AromaticContact CG-CH2 3.96Å; M965-W1125 HydrophobicContact CG-CH2 4.03Å; M965-W1125 HydrophobicContact CG-CZ2 3.64Å; M965-W1125 HydrophobicContact SD-CH2 4.38Å; M965-W1125 HydrophobicContact SD-CZ2 3.64Å; N1121-W1125 VanDerWaalsContact O-CB 3.28Å; N1121-W1125 WeakPolarHBondContact O-CB 3.32Å; N1121-W1125 PolarHBondContact O-N 3.18Å; A1122-W1125 PolarHBondContact O-N 3.07Å; W1123-W1125 VanDerWaalsContact C-N 3.34Å; W1123-W1125 PolarHBondContact O-N 3.3Å; W1125-K1127 VanDerWaalsContact C-N 3.26Å; W1125-K1127 PolarHBondContact O-N 3.03Å; W1125-S1128 WeakPolarHBondContact O-CB 3.43Å; W1125-S1128 PolarHBondContact O-N 3.27Å; W1125-S1128 VanDerWaalsContact O-N 3.11Å; W1125-S1128 PolarHBondContact O-OG 3.21Å; W1125-L1129 HydrophobicContact CD2-CD1 4.36Å; W1125-L1129 HydrophobicContact CH2-CD1 4.24Å; W1125-L1129 HydrophobicContact CZ2-CD1 3.72Å; W1125-L1129 PolarHBondContact O-N 3.17Å; W1125-L1129 VanDerWaalsContact O-N 3.14Å; W1125-F1365 HydrophobicContact CB-CD1 4.21Å; W1125-F1365 HydrophobicContact CB-CE1 4.31Å; W1125-F1365 HydrophobicContact CD2-CD1 4.15Å; W1125-F1365 AromaticContact CD2-CE1 3.82Å; W1125-F1365 HydrophobicContact CD2-CE1 3.82Å; W1125-F1365 HydrophobicContact CE3-CD1 4.45Å; W1125-F1365 AromaticContact CE3-CE1 3.73Å; W1125-F1365 HydrophobicContact CE3-CE1 3.73Å; W1125-F1365 HydrophobicContact CE3-CZ 4.33Å; W1125-F1365 AromaticContact CG-CD1 3.95Å; W1125-F1365 HydrophobicContact CG-CD1 3.99Å; W1125-F1365 HydrophobicContact CG-CE1 4.07Å; W1125-F1365 HydrophobicContact CZ3-CE1 4.27Å; W1125-L1367 HydrophobicContact CD2-CD2 4.19Å; W1125-L1367 VanDerWaalsContact CE2-CD2 3.45Å; W1125-L1367 HydrophobicContact CH2-CD2 4.24Å; W1125-L1367 HydrophobicContact CZ2-CD2 3.46Å; W1125-L1367 VanDerWaalsContact CZ2-CD2 3.49Å; W1125-L1376 HydrophobicContact CB-CD1 4.09Å; W1125-L1376 HydrophobicContact CB-CD2 4.15Å |
| 1126 | V | 86.3 | Confident | 73.8 | Confident | 26.6 Ų | 26.6 | 77.4 Ų | 77.4 | 16% | 0.161 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.8 | -34.9 | 176.2 | 171.7 | 0 | 0 | 0 | 0 | 111.6 | W959 A1122 W1123 R1130 | W959-V1126 HydrophobicContact CZ2-CG2 4.2Å; A1122-V1126 WeakPolarHBondContact O-CB 3.47Å; A1122-V1126 VanDerWaalsContact O-CG2 3.3Å; A1122-V1126 WeakPolarHBondContact O-CG2 3.37Å; A1122-V1126 PolarHBondContact O-N 3.12Å; W1123-V1126 PolarHBondContact O-N 3.05Å; V1126-R1130 WeakPolarHBondContact O-CG 3.45Å |
| 1127 | K | 82.5 | Confident | 71.9 | Confident | 105.6 Ų | 105.6 | 81.2 Ų | 81.2 | 46% | 0.459 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 172.3 | -85.5 | -176.6 | 163.6 | -172.9 | 0 | 112.6 | W1123 K1124 W1125 L1129 R1130 S1131 | W1123-K1127 HydrophobicContact CD2-CD 4.09Å; W1123-K1127 HydrophobicContact CE3-CD 4.11Å; W1123-K1127 HydrophobicContact CH2-CD 4.22Å; W1123-K1127 VanDerWaalsContact CH2-CE 3.48Å; W1123-K1127 HydrophobicContact CZ2-CD 4.1Å; W1123-K1127 VanDerWaalsContact CZ2-CE 3.42Å; W1123-K1127 HydrophobicContact CZ3-CD 4.16Å; W1123-K1127 WeakPolarHBondContact O-CB 3.32Å; W1123-K1127 WeakPolarHBondContact O-CG 3.31Å; W1123-K1127 PolarHBondContact O-N 3.09Å; K1124-K1127 WeakPolarHBondContact O-CB 3.33Å; K1124-K1127 PolarHBondContact O-N 2.94Å; W1125-K1127 VanDerWaalsContact C-N 3.26Å; W1125-K1127 PolarHBondContact O-N 3.03Å; K1127-L1129 VanDerWaalsContact C-N 3.27Å; K1127-L1129 PolarHBondContact O-N 3.28Å; K1127-R1130 WeakPolarHBondContact O-CA 3.39Å; K1127-R1130 WeakPolarHBondContact O-CB 3.37Å; K1127-R1130 PolarHBondContact O-N 3.02Å; K1127-R1130 VanDerWaalsContact O-N 3.11Å; K1127-S1131 PolarHBondContact O-N 3.09Å; K1127-S1131 VanDerWaalsContact O-N 3.13Å; K1127-S1131 PolarHBondContact O-OG 3.19Å |
| 1128 | S | 81.3 | Confident | 70.4 | Confident | 52.6 Ų | 52.6 | 84.5 Ų | 84.5 | 37% | 0.368 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.3 | -38.4 | -179.9 | 75.2 | 0 | 0 | 0 | 0 | 112 | K1124 W1125 R1130 S1131 | K1124-S1128 PolarHBondContact O-N 3.29Å; W1125-S1128 WeakPolarHBondContact O-CB 3.43Å; W1125-S1128 PolarHBondContact O-N 3.27Å; W1125-S1128 VanDerWaalsContact O-N 3.11Å; W1125-S1128 PolarHBondContact O-OG 3.21Å; S1128-R1130 VanDerWaalsContact C-N 3.26Å; S1128-R1130 PolarHBondContact O-N 3.06Å; S1128-R1130 VanDerWaalsContact O-N 3.12Å; S1128-S1131 WeakPolarHBondContact CA-OG 3.42Å; S1128-S1131 PolarHBondContact O-N 3.22Å; S1128-S1131 PolarHBondContact O-OG 3.09Å; S1128-S1131 VanDerWaalsContact O-OG 3.09Å |
| 1129 | L | 78.6 | Confident | 69.1 | Low | 30.4 Ų | 30.4 | 87.7 Ų | 87.7 | 16% | 0.159 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -61.6 | -26 | 175.2 | -69 | 174.3 | 0 | 0 | 0 | 113.8 | M965 Y968 W1125 K1127 S1132 | M965-L1129 HydrophobicContact SD-CD1 4.19Å; M965-L1129 HydrophobicContact SD-CD2 4.24Å; Y968-L1129 HydrophobicContact CD1-CD2 4.23Å; Y968-L1129 HydrophobicContact CE1-CD2 4.2Å; Y968-L1129 HydrophobicContact CE2-CB 4.17Å; Y968-L1129 PolarHBondContact OH-O 3.1Å; W1125-L1129 HydrophobicContact CD2-CD1 4.36Å; W1125-L1129 HydrophobicContact CH2-CD1 4.24Å; W1125-L1129 HydrophobicContact CZ2-CD1 3.72Å; W1125-L1129 PolarHBondContact O-N 3.17Å; W1125-L1129 VanDerWaalsContact O-N 3.14Å; K1127-L1129 VanDerWaalsContact C-N 3.27Å; K1127-L1129 PolarHBondContact O-N 3.28Å; L1129-S1132 PolarHBondContact O-OG 3.15Å |
| 1130 | R | 69.4 | Low | 68.2 | Low | 180.4 Ų | 180.4 | 90.4 Ų | 90.4 | 68% | 0.681 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -96.5 | -22.5 | -178.6 | -67.9 | 179.8 | 179.8 | 177.4 | 1.1 | 113.7 | V1126 K1127 S1128 S1132 | V1126-R1130 WeakPolarHBondContact O-CG 3.45Å; K1127-R1130 WeakPolarHBondContact O-CA 3.39Å; K1127-R1130 WeakPolarHBondContact O-CB 3.37Å; K1127-R1130 PolarHBondContact O-N 3.02Å; K1127-R1130 VanDerWaalsContact O-N 3.11Å; S1128-R1130 VanDerWaalsContact C-N 3.26Å; S1128-R1130 PolarHBondContact O-N 3.06Å; S1128-R1130 VanDerWaalsContact O-N 3.12Å; R1130-S1132 VanDerWaalsContact C-N 3.31Å; R1130-S1132 PolarHBondContact O-N 3.15Å |
| 1131 | S | 56.3 | Low | 67.9 | Low | 82.4 Ų | 82.4 | 90.7 Ų | 90.7 | 58% | 0.576 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -73.6 | -19.3 | -172.8 | 45.2 | 0 | 0 | 0 | 0 | 114.1 | K1127 S1128 G1133 R1134 | K1127-S1131 PolarHBondContact O-N 3.09Å; K1127-S1131 VanDerWaalsContact O-N 3.13Å; K1127-S1131 PolarHBondContact O-OG 3.19Å; S1128-S1131 WeakPolarHBondContact CA-OG 3.42Å; S1128-S1131 PolarHBondContact O-N 3.22Å; S1128-S1131 PolarHBondContact O-OG 3.09Å; S1128-S1131 VanDerWaalsContact O-OG 3.09Å; S1131-G1133 PolarHBondContact O-N 3.1Å; S1131-R1134 PolarHBondContact O-N 3.05Å |
| 1132 | S | 51 | Low | 67.8 | Low | 108.6 Ų | 108.6 | 98.3 Ų | 98.3 | 76% | 0.759 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 7.5 | -178.2 | 64.5 | 0 | 0 | 0 | 0 | 115.5 | L1129 R1130 | L1129-S1132 PolarHBondContact O-OG 3.15Å; R1130-S1132 VanDerWaalsContact C-N 3.31Å; R1130-S1132 PolarHBondContact O-N 3.15Å |
| 1133 | G | 43.5 | Very low | 67.8 | Low | 67.2 Ų | 67.2 | 98.7 Ų | 98.7 | 69% | 0.693 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -147.1 | 12.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | S1131 | S1131-G1133 PolarHBondContact O-N 3.1Š|
| 1134 | R | 42 | Very low | 68.2 | Low | 212.8 Ų | 212.8 | 91.6 Ų | 91.6 | 80% | 0.803 | 49% | 0.486 | S | S | * | . | trans | -116.7 | 90.3 | 175.6 | -72.2 | -170.6 | -172 | -175.8 | 2.6 | 111.6 | S1131 L1136 | S1131-R1134 PolarHBondContact O-N 3.05Å; R1134-L1136 VanDerWaalsContact C-N 3.3Å; R1134-L1136 HydrophobicContact CB-CD1 4.34Å; R1134-L1136 HydrophobicContact CG-CD1 4.43Å; R1134-L1136 PolarHBondContact O-N 2.99Å; R1134-L1136 VanDerWaalsContact O-N 3.11Å | ||
| 1135 | L | 37.5 | Very low | 68.7 | Low | 170 Ų | 170 | 94.4 Ų | 94.4 | 89% | 0.89 | 50% | 0.495 | S | S | * | . | trans | -78.2 | 56.4 | 164.5 | -93.5 | 150.4 | 0 | 0 | 0 | 111.2 | ||||
| 1136 | L | 40.4 | Very low | 69 | Low | 134.8 Ų | 134.8 | 94.4 Ų | 94.4 | 71% | 0.706 | 50% | 0.495 | S | S | * | . | trans | -131 | 84.5 | 174.7 | -79.2 | 168.2 | 0 | 0 | 0 | 108.9 | R1134 V1138 | R1134-L1136 VanDerWaalsContact C-N 3.3Å; R1134-L1136 HydrophobicContact CB-CD1 4.34Å; R1134-L1136 HydrophobicContact CG-CD1 4.43Å; R1134-L1136 PolarHBondContact O-N 2.99Å; R1134-L1136 VanDerWaalsContact O-N 3.11Å; L1136-V1138 HydrophobicContact CB-CG2 4.31Å; L1136-V1138 HydrophobicContact CD2-CG2 4.44Å; L1136-V1138 PolarHBondContact O-N 3.24Å | ||
| 1137 | D | 50.2 | Low | 69.4 | Low | 161.2 Ų | 161.2 | 94.4 Ų | 94.4 | 86% | 0.862 | 49% | 0.494 | S | S | * | . | trans | -70.9 | 26.2 | 171.7 | -83.1 | -29 | 0 | 0 | 0 | 112.7 | P1139 | D1137-P1139 VanDerWaalsContact O-CD 3.24Å; D1137-P1139 WeakPolarHBondContact O-CD 3.36Å | ||
| 1138 | V | 55.3 | Low | 69.8 | Low | 103 Ų | 103 | 91.7 Ų | 91.7 | 62% | 0.624 | 48% | 0.482 | S | S | * | . | trans | -85.7 | 111.6 | 173.5 | -172.9 | 0 | 0 | 0 | 0 | 107.8 | L1136 V1140 | L1136-V1138 HydrophobicContact CB-CG2 4.31Å; L1136-V1138 HydrophobicContact CD2-CG2 4.44Å; L1136-V1138 PolarHBondContact O-N 3.24Å; V1138-V1140 PolarHBondContact O-N 3.06Å; V1138-V1140 VanDerWaalsContact O-N 3.12Å | ||
| 1139 | P | 62.3 | Low | 70.2 | Confident | 80.8 Ų | 80.8 | 89.5 Ų | 89.5 | 53% | 0.525 | 47% | 0.467 | S | S | . | . | trans | -65.9 | 113.7 | 179.2 | 27 | -33.3 | 0 | 0 | 0 | 109.3 | D1137 L1269 | D1137-P1139 VanDerWaalsContact O-CD 3.24Å; D1137-P1139 WeakPolarHBondContact O-CD 3.36Å; P1139-L1269 HydrophobicContact CB-CD1 3.96Å; P1139-L1269 HydrophobicContact CB-CD2 4.19Å; P1139-L1269 HydrophobicContact CB-CG 4.01Å; P1139-L1269 HydrophobicContact CG-CD2 4.25Å; P1139-L1269 HydrophobicContact CG-CG 4.29Å; P1139-L1269 VanDerWaalsContact O-CD2 3.24Å; P1139-L1269 WeakPolarHBondContact O-CD2 3.43Å | ||
| 1140 | V | 71.5 | Confident | 70.2 | Confident | 108.2 Ų | 108.2 | 88.3 Ų | 88.3 | 66% | 0.656 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -86 | 127.4 | 178.3 | -177.5 | 0 | 0 | 0 | 0 | 109 | V1138 W1142 | V1138-V1140 PolarHBondContact O-N 3.06Å; V1138-V1140 VanDerWaalsContact O-N 3.12Å; V1140-W1142 VanDerWaalsContact O-CD1 3.25Å; V1140-W1142 PolarHBondContact O-N 3.14Å; V1140-W1142 PolarHBondContact O-NE1 3.09Å |
| 1141 | M | 80.6 | Confident | 69.9 | Low | 53.6 Ų | 53.6 | 82.6 Ų | 82.6 | 26% | 0.264 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 126.7 | 173.6 | -171.1 | 167.7 | 90.9 | 0 | 0 | 110.3 | S1089 N1092 I1266 L1269 | S1089-M1141 VanDerWaalsContact OG-CE 3.29Å; S1089-M1141 WeakPolarHBondContact OG-CE 3.25Å; N1092-M1141 HydrophobicContact CB-CE 3.84Å; N1092-M1141 VanDerWaalsContact CB-CE 3.44Å; N1092-M1141 VanDerWaalsContact CG-CE 3.43Å; N1092-M1141 WeakPolarHBondContact ND2-CE 3.42Å; N1092-M1141 WeakPolarHBondContact OD1-CE 3.43Å; M1141-I1266 HydrophobicContact SD-CB 4.39Å; M1141-I1266 HydrophobicContact SD-CG1 3.75Å; M1141-L1269 HydrophobicContact CB-CD1 4.25Å; M1141-L1269 HydrophobicContact CG-CD1 4.34Å |
| 1142 | W | 85.5 | Confident | 70 | Confident | 159.6 Ų | 159.6 | 82.4 Ų | 82.4 | 61% | 0.605 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -77 | 158.8 | 177.5 | -58 | -3.2 | 0 | 0 | 0 | 110.1 | N1092 V1140 A1264 R1299 | N1092-W1142 PolarHBondContact ND2-O 3.23Å; V1140-W1142 VanDerWaalsContact O-CD1 3.25Å; V1140-W1142 PolarHBondContact O-N 3.14Å; V1140-W1142 PolarHBondContact O-NE1 3.09Å; W1142-A1264 HydrophobicContact CB-CB 4.33Å; W1142-A1264 VanDerWaalsContact O-CB 3.27Å; W1142-A1264 WeakPolarHBondContact O-CB 3.32Å; W1142-R1299 VanDerWaalsContact CZ3-NH2 3.32Å |
| 1143 | S | 91.1 | Very high | 69.8 | Low | 18 Ų | 18 | 84.7 Ų | 84.7 | 13% | 0.126 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 148.6 | 175.1 | -56.7 | 0 | 0 | 0 | 0 | 111.7 | K1070 S1093 | K1070-S1143 WeakPolarHBondContact CE-OG 3.41Å; K1070-S1143 PolarHBondContact NZ-OG 2.71Å; S1093-S1143 CarbonylContact O-C 3.49Å; S1093-S1143 WeakPolarHBondContact O-CA 3.4Å; S1093-S1143 VanDerWaalsContact O-CB 3.28Å; S1093-S1143 WeakPolarHBondContact O-CB 3.4Å; S1093-S1143 WeakPolarHBondContact OG-CB 3.3Å; S1093-S1143 PolarHBondContact OG-OG 2.97Å |
| 1144 | D | 93.9 | Very high | 70 | Confident | 0.2 Ų | 0.2 | 86.8 Ų | 86.8 | 0% | 0.001 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 155.3 | 168 | -64.9 | -13.5 | 0 | 0 | 0 | 110.9 | F1077 R1081 N1092 S1093 C1094 W1095 V1262 A1264 | F1077-D1144 HydrophobicContact CD1-CB 3.71Å; F1077-D1144 WeakPolarHBondContact CD1-OD2 3.23Å; F1077-D1144 HydrophobicContact CE1-CB 3.75Å; R1081-D1144 IonicContact CZ-OD1 3.25Å; R1081-D1144 IonicContact CZ-OD2 2.99Å; R1081-D1144 VanDerWaalsContact CZ-OD2 3.27Å; R1081-D1144 IonicContact NE-OD2 2.88Å; R1081-D1144 PolarHBondContact NE-OD2 2.87Å; R1081-D1144 IonicContact NH2-OD1 3.37Å; R1081-D1144 PolarHBondContact NH2-OD1 2.96Å; R1081-D1144 IonicContact NH2-OD2 3.6Å; R1081-D1144 PolarHBondContact NH2-OD2 3.26Å; N1092-D1144 PolarHBondContact ND2-N 3.06Å; N1092-D1144 PolarHBondContact ND2-OD1 3.07Å; S1093-D1144 PolarHBondContact O-N 3.07Å; C1094-D1144 CarbonylContact C-O 3.55Å; C1094-D1144 VanDerWaalsContact CA-O 3.24Å; C1094-D1144 WeakPolarHBondContact CA-O 3.29Å; C1094-D1144 HydrophobicContact CB-CB 4.15Å; W1095-D1144 PolarHBondContact N-O 2.97Å; D1144-V1262 CarbonylContact C-O 3.54Å; D1144-V1262 VanDerWaalsContact CA-O 3.3Å; D1144-V1262 WeakPolarHBondContact CA-O 3.31Å; D1144-A1264 PolarHBondContact OD1-N 2.98Å; D1144-A1264 VanDerWaalsContact OD1-O 3.12Å |
| 1145 | W | 94.6 | Very high | 70 | Confident | 122.2 Ų | 122.2 | 82 Ų | 82 | 46% | 0.463 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 136.6 | 176.3 | -61.7 | 5.3 | 0 | 0 | 0 | 110.4 | F1077 W1095 I1147 V1262 | F1077-W1145 WeakPolarHBondContact CZ-O 3.3Å; W1095-W1145 AromaticContact CD1-CD1 3.92Å; W1095-W1145 AromaticContact CD1-NE1 3.81Å; W1095-W1145 CarbonylContact O-C 3.47Å; W1095-W1145 WeakPolarHBondContact O-CA 3.38Å; W1145-I1147 HydrophobicContact CE3-CD1 4.1Å; W1145-V1262 HydrophobicContact CB-CB 4.19Å; W1145-V1262 PolarHBondContact N-O 3.07Å; W1145-V1262 PolarHBondContact O-N 2.98Å |
| 1146 | H | 95.2 | Very high | 70.6 | Confident | 4 Ų | 4 | 78.8 Ų | 78.8 | 2% | 0.019 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 105.6 | 172.2 | -176.5 | -163 | 0 | 0 | 0 | 108.1 | Y1074 M1076 F1077 W1095 I1096 W1097 K1148 D1259 L1260 | Y1074-H1146 AromaticContact CE1-CE1 3.84Å; Y1074-H1146 AromaticContact CE1-ND1 3.38Å; Y1074-H1146 VanDerWaalsContact CE1-ND1 3.31Å; Y1074-H1146 WeakPolarHBondContact CE1-ND1 3.25Å; Y1074-H1146 AromaticContact CZ-CE1 3.96Å; Y1074-H1146 AromaticContact CZ-ND1 3.88Å; Y1074-H1146 PolarHBondContact OH-CE1 3.37Å; Y1074-H1146 PolarHBondContact OH-ND1 3.18Å; M1076-H1146 VanDerWaalsContact CE-CE1 3.42Å; M1076-H1146 WeakPolarHBondContact CE-CE1 3.28Å; F1077-H1146 HydrophobicContact CE2-CB 3.72Å; F1077-H1146 AromaticContact CE2-CG 3.77Å; F1077-H1146 HydrophobicContact CZ-CB 3.65Å; F1077-H1146 AromaticContact CZ-CG 4Å; W1095-H1146 PolarHBondContact O-N 3.15Å; I1096-H1146 CarbonylContact C-O 3.49Å; I1096-H1146 WeakPolarHBondContact CA-O 3.37Å; I1096-H1146 HydrophobicContact CG1-CB 4.45Å; W1097-H1146 PolarHBondContact N-O 2.92Å; H1146-K1148 VanDerWaalsContact CE1-CD 3.48Å; H1146-K1148 WeakPolarHBondContact CE1-CD 3.31Å; H1146-K1148 VanDerWaalsContact CE1-CE 3.45Å; H1146-K1148 WeakPolarHBondContact CE1-CE 3.38Å; H1146-K1148 WeakPolarHBondContact NE2-CG 3.41Å; H1146-D1259 IonicContact CD2-OD1 3.05Å; H1146-D1259 PolarHBondContact CD2-OD1 3.25Å; H1146-D1259 VanDerWaalsContact CD2-OD1 3.26Å; H1146-D1259 IonicContact CE1-OD1 3.62Å; H1146-D1259 IonicContact NE2-OD1 2.96Å; H1146-D1259 PolarHBondContact NE2-OD1 3.05Å; H1146-D1259 VanDerWaalsContact NE2-OD1 3.1Å; H1146-L1260 CarbonylContact C-O 3.57Å; H1146-L1260 WeakPolarHBondContact CA-O 3.42Å |
| 1147 | I | 94 | Very high | 70.9 | Confident | 26.8 Ų | 26.8 | 78.2 Ų | 78.2 | 14% | 0.137 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 107.3 | -176 | -58.3 | 166 | 0 | 0 | 0 | 108.2 | W1097 W1145 I1149 L1260 | W1097-I1147 HydrophobicContact CB-CB 4.34Å; W1097-I1147 HydrophobicContact CB-CG1 4.02Å; W1097-I1147 HydrophobicContact CB-CG2 4.27Å; W1097-I1147 HydrophobicContact CG-CG1 4.12Å; W1097-I1147 CarbonylContact O-C 3.53Å; W1097-I1147 WeakPolarHBondContact O-CA 3.36Å; W1145-I1147 HydrophobicContact CE3-CD1 4.1Å; I1147-I1149 HydrophobicContact CG2-CD1 4.02Å; I1147-I1149 HydrophobicContact CG2-CG1 3.96Å; I1147-L1260 HydrophobicContact CB-CB 4.23Å; I1147-L1260 HydrophobicContact CD1-CD2 4.07Å; I1147-L1260 PolarHBondContact N-O 3.08Å; I1147-L1260 PolarHBondContact O-N 2.98Å |
| 1148 | K | 91.3 | Very high | 70.7 | Confident | 49 Ų | 49 | 77.7 Ų | 77.7 | 21% | 0.213 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 121.7 | 176.7 | -65.1 | 176.5 | -75.4 | 164.1 | 0 | 109 | W1097 S1098 I1099 H1146 V1151 M1258 | W1097-K1148 PolarHBondContact O-N 3.06Å; S1098-K1148 CarbonylContact C-O 3.46Å; S1098-K1148 WeakPolarHBondContact CA-O 3.35Å; S1098-K1148 VanDerWaalsContact OG-CE 3.26Å; S1098-K1148 WeakPolarHBondContact OG-CE 3.38Å; S1098-K1148 PolarHBondContact OG-NZ 3.26Å; I1099-K1148 PolarHBondContact N-O 3.11Å; H1146-K1148 VanDerWaalsContact CE1-CD 3.48Å; H1146-K1148 WeakPolarHBondContact CE1-CD 3.31Å; H1146-K1148 VanDerWaalsContact CE1-CE 3.45Å; H1146-K1148 WeakPolarHBondContact CE1-CE 3.38Å; H1146-K1148 WeakPolarHBondContact NE2-CG 3.41Å; K1148-V1151 HydrophobicContact CB-CB 4.37Å; K1148-V1151 HydrophobicContact CB-CG2 4.35Å; K1148-M1258 CarbonylContact C-O 3.53Å; K1148-M1258 WeakPolarHBondContact CA-O 3.4Å |
| 1149 | I | 89.2 | Confident | 70.2 | Confident | 7 Ų | 7 | 75.3 Ų | 75.3 | 4% | 0.036 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 118.6 | 176.6 | -46.2 | -177.3 | 0 | 0 | 0 | 109.3 | I1099 L1102 I1147 V1151 V1165 A1257 M1258 | I1099-I1149 HydrophobicContact CB-CG1 4.21Å; I1099-I1149 HydrophobicContact CB-CG2 4.21Å; I1099-I1149 HydrophobicContact CD1-CD1 4.28Å; I1099-I1149 HydrophobicContact CD1-CG1 4.36Å; I1099-I1149 HydrophobicContact CG2-CG2 4.23Å; I1099-I1149 CarbonylContact O-C 3.52Å; I1099-I1149 VanDerWaalsContact O-CA 3.24Å; I1099-I1149 WeakPolarHBondContact O-CA 3.3Å; L1102-I1149 HydrophobicContact CB-CD1 4.44Å; L1102-I1149 HydrophobicContact CB-CG2 4.39Å; L1102-I1149 HydrophobicContact CD2-CD1 3.95Å; I1147-I1149 HydrophobicContact CG2-CD1 4.02Å; I1147-I1149 HydrophobicContact CG2-CG1 3.96Å; I1149-V1151 VanDerWaalsContact C-N 3.28Å; I1149-V1151 PolarHBondContact O-N 3.21Å; I1149-V1165 HydrophobicContact CB-CG2 3.78Å; I1149-V1165 HydrophobicContact CD1-CG2 3.52Å; I1149-V1165 VanDerWaalsContact CD1-CG2 3.48Å; I1149-V1165 HydrophobicContact CG1-CG2 4.2Å; I1149-V1165 HydrophobicContact CG2-CG2 3.57Å; I1149-A1257 CarbonylContact O-C 3.48Å; I1149-A1257 WeakPolarHBondContact O-CA 3.32Å; I1149-M1258 HydrophobicContact CB-CB 4.34Å; I1149-M1258 HydrophobicContact CD1-SD 4.43Å; I1149-M1258 PolarHBondContact N-O 3Å; I1149-M1258 PolarHBondContact O-N 3.07Å |
| 1150 | G | 78.4 | Confident | 69.4 | Low | 5.4 Ų | 5.4 | 76.4 Ų | 76.4 | 6% | 0.056 | 43% | 0.426 | C | S | . | . | S | Bend | trans | 73.8 | 1.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | I1099 K1100 T1152 N1163 | I1099-G1150 PolarHBondContact O-N 3.15Å; K1100-G1150 WeakPolarHBondContact O-CA 3.33Å; K1100-G1150 PolarHBondContact O-N 3.16Å; G1150-T1152 VanDerWaalsContact C-N 3.31Å; G1150-T1152 PolarHBondContact O-N 2.98Å; G1150-T1152 VanDerWaalsContact O-N 3.12Å; G1150-N1163 WeakPolarHBondContact CA-O 3.24Å; G1150-N1163 PolarHBondContact O-ND2 3.14Å |
| 1151 | V | 64.8 | Low | 68.2 | Low | 60.2 Ų | 60.2 | 79.9 Ų | 79.9 | 37% | 0.365 | 43% | 0.428 | S | S | . | . | trans | -84.9 | 71 | 178.3 | -168.4 | 0 | 0 | 0 | 0 | 109.8 | K1148 I1149 A1257 D1259 | K1148-V1151 HydrophobicContact CB-CB 4.37Å; K1148-V1151 HydrophobicContact CB-CG2 4.35Å; I1149-V1151 VanDerWaalsContact C-N 3.28Å; I1149-V1151 PolarHBondContact O-N 3.21Å; V1151-A1257 VanDerWaalsContact CG2-C 3.49Å; V1151-A1257 HydrophobicContact CG2-CB 4.28Å; V1151-A1257 WeakPolarHBondContact CG2-O 3.41Å; V1151-D1259 HydrophobicContact CG2-CB 4.31Å | ||
| 1152 | T | 56.8 | Low | 66.8 | Low | 77.2 Ų | 77.2 | 79.6 Ų | 79.6 | 47% | 0.474 | 43% | 0.431 | S | S | . | . | trans | -100.3 | 131.2 | 174.4 | 49.9 | 0 | 0 | 0 | 0 | 110.3 | G1150 V1154 N1163 | G1150-T1152 VanDerWaalsContact C-N 3.31Å; G1150-T1152 PolarHBondContact O-N 2.98Å; G1150-T1152 VanDerWaalsContact O-N 3.12Å; T1152-V1154 PolarHBondContact O-N 3.09Å; T1152-V1154 VanDerWaalsContact O-N 3.14Å; T1152-V1154 PolarHBondContact OG1-O 3.27Å; T1152-N1163 PolarHBondContact OG1-ND2 3.16Å; T1152-N1163 VanDerWaalsContact OG1-ND2 3.13Å | ||
| 1153 | N | 48.3 | Very low | 66 | Low | 157.2 Ų | 157.2 | 73.5 Ų | 73.5 | 84% | 0.841 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -65.8 | 24.7 | 176.6 | -66 | -6 | 0 | 0 | 0 | 113.5 | ||
| 1154 | V | 46.5 | Very low | 65.6 | Low | 112.2 Ų | 112.2 | 73.9 Ų | 73.9 | 68% | 0.68 | 41% | 0.412 | S | S | * | . | trans | -116.5 | 101.5 | 174.6 | -174 | 0 | 0 | 0 | 0 | 109 | T1152 D1156 | T1152-V1154 PolarHBondContact O-N 3.09Å; T1152-V1154 VanDerWaalsContact O-N 3.14Å; T1152-V1154 PolarHBondContact OG1-O 3.27Å; V1154-D1156 VanDerWaalsContact C-N 3.3Å; V1154-D1156 PolarHBondContact O-N 3.02Å; V1154-D1156 VanDerWaalsContact O-N 3.09Å | ||
| 1155 | S | 43.5 | Very low | 65.4 | Low | 110.6 Ų | 110.6 | 74.3 Ų | 74.3 | 77% | 0.773 | 42% | 0.415 | S | S | * | . | trans | -65.8 | 79.8 | 163.3 | 54.9 | 0 | 0 | 0 | 0 | 111 | P1157 | S1155-P1157 VanDerWaalsContact O-CD 3.29Å; S1155-P1157 WeakPolarHBondContact O-CD 3.4Å | ||
| 1156 | D | 48.2 | Very low | 65.2 | Low | 104.2 Ų | 104.2 | 68.9 Ų | 68.9 | 56% | 0.557 | 40% | 0.396 | S | S | * | . | trans | -92 | 99.7 | 167.9 | -163.3 | -9.7 | 0 | 0 | 0 | 109 | V1154 N1158 C1159 | V1154-D1156 VanDerWaalsContact C-N 3.3Å; V1154-D1156 PolarHBondContact O-N 3.02Å; V1154-D1156 VanDerWaalsContact O-N 3.09Å; D1156-N1158 PolarHBondContact O-N 2.94Å; D1156-N1158 VanDerWaalsContact O-N 3.12Å; D1156-N1158 PolarHBondContact OD1-N 3.12Å; D1156-C1159 HydrophobicContact CB-CB 4.39Å; D1156-C1159 PolarHBondContact O-N 3.05Å; D1156-C1159 VanDerWaalsContact O-N 3.12Å | ||
| 1157 | P | 48.6 | Very low | 65.1 | Low | 121 Ų | 121 | 71.7 Ų | 71.7 | 79% | 0.786 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -13.7 | -172.5 | 25.7 | -33.4 | 0 | 0 | 0 | 113.8 | S1155 C1159 | S1155-P1157 VanDerWaalsContact O-CD 3.29Å; S1155-P1157 WeakPolarHBondContact O-CD 3.4Å; P1157-C1159 VanDerWaalsContact C-N 3.33Å |
| 1158 | N | 46 | Very low | 65 | Low | 152 Ų | 152 | 71.7 Ų | 71.7 | 81% | 0.813 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -2.8 | 179 | -82.1 | -15.6 | 0 | 0 | 0 | 114.1 | D1156 S1160 | D1156-N1158 PolarHBondContact O-N 2.94Å; D1156-N1158 VanDerWaalsContact O-N 3.12Å; D1156-N1158 PolarHBondContact OD1-N 3.12Å; N1158-S1160 PolarHBondContact O-N 3.09Å |
| 1159 | C | 44.8 | Very low | 65.1 | Low | 52.8 Ų | 52.8 | 70.5 Ų | 70.5 | 36% | 0.357 | 41% | 0.405 | S | S | . | . | trans | -103.9 | 69.4 | -176.1 | -148.9 | 0 | 0 | 0 | 0 | 111.7 | K1100 D1156 P1157 Y1161 C1162 | K1100-C1159 PolarHBondContact NZ-SG 3.4Å; D1156-C1159 HydrophobicContact CB-CB 4.39Å; D1156-C1159 PolarHBondContact O-N 3.05Å; D1156-C1159 VanDerWaalsContact O-N 3.12Å; P1157-C1159 VanDerWaalsContact C-N 3.33Å; C1159-Y1161 PolarHBondContact O-N 3.24Å; C1159-Y1161 VanDerWaalsContact O-N 3.13Å; C1159-C1162 VanDerWaalsContact C-SG 3.51Å; C1159-C1162 VanDerWaalsContact CA-SG 3.52Å; C1159-C1162 WeakPolarHBondContact CA-SG 3.45Å; C1159-C1162 HydrophobicContact CB-CB 3.58Å; C1159-C1162 WeakPolarHBondContact CB-SG 3.4Å; C1159-C1162 VanDerWaalsContact O-CB 3.28Å; C1159-C1162 WeakPolarHBondContact O-CB 3.22Å; C1159-C1162 PolarHBondContact O-N 2.91Å; C1159-C1162 VanDerWaalsContact O-N 3.08Å; C1159-C1162 PolarHBondContact O-SG 3.04Å; C1159-C1162 VanDerWaalsContact O-SG 3.39Å; C1159-C1162 WeakPolarHBondContact SG-CB 3.41Å; C1159-C1162 CovalentContact SG-SG 2.01Å; C1159-C1162 PolarHBondContact SG-SG 2.99Å | ||
| 1160 | S | 43.6 | Very low | 65.2 | Low | 102.6 Ų | 102.6 | 70.8 Ų | 70.8 | 72% | 0.717 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -7.7 | -178.8 | 141.1 | 0 | 0 | 0 | 0 | 114.9 | N1158 C1162 | N1158-S1160 PolarHBondContact O-N 3.09Å; S1160-C1162 PolarHBondContact O-N 2.9Å; S1160-C1162 VanDerWaalsContact O-N 3.17Å |
| 1161 | Y | 47.3 | Very low | 65.7 | Low | 181.2 Ų | 181.2 | 70.9 Ų | 70.9 | 71% | 0.711 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | 40.1 | 179.8 | -68.5 | -80 | 0 | 0 | 0 | 112.9 | C1159 N1163 | C1159-Y1161 PolarHBondContact O-N 3.24Å; C1159-Y1161 VanDerWaalsContact O-N 3.13Å; Y1161-N1163 PolarHBondContact O-N 3.35Å |
| 1162 | C | 51.7 | Low | 66.8 | Low | 49 Ų | 49 | 69.5 Ų | 69.5 | 33% | 0.331 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -88.3 | 46.7 | 179.8 | -35.2 | 0 | 0 | 0 | 0 | 115.5 | K1100 T1101 C1159 S1160 T1164 | K1100-C1162 VanDerWaalsContact CE-O 3.29Å; K1100-C1162 WeakPolarHBondContact CE-O 3.5Å; T1101-C1162 WeakPolarHBondContact CG2-O 3.21Å; C1159-C1162 VanDerWaalsContact C-SG 3.51Å; C1159-C1162 VanDerWaalsContact CA-SG 3.52Å; C1159-C1162 WeakPolarHBondContact CA-SG 3.45Å; C1159-C1162 HydrophobicContact CB-CB 3.58Å; C1159-C1162 WeakPolarHBondContact CB-SG 3.4Å; C1159-C1162 VanDerWaalsContact O-CB 3.28Å; C1159-C1162 WeakPolarHBondContact O-CB 3.22Å; C1159-C1162 PolarHBondContact O-N 2.91Å; C1159-C1162 VanDerWaalsContact O-N 3.08Å; C1159-C1162 PolarHBondContact O-SG 3.04Å; C1159-C1162 VanDerWaalsContact O-SG 3.39Å; C1159-C1162 WeakPolarHBondContact SG-CB 3.41Å; C1159-C1162 CovalentContact SG-SG 2.01Å; C1159-C1162 PolarHBondContact SG-SG 2.99Å; S1160-C1162 PolarHBondContact O-N 2.9Å; S1160-C1162 VanDerWaalsContact O-N 3.17Å; C1162-T1164 HydrophobicContact CB-CG2 3.78Å; C1162-T1164 PolarHBondContact O-N 3.46Å; C1162-T1164 PolarHBondContact O-OG1 3.28Å |
| 1163 | N | 68.8 | Low | 68.2 | Low | 30.8 Ų | 30.8 | 69.2 Ų | 69.2 | 17% | 0.165 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -127.5 | 51.5 | 169.9 | -83.3 | -9.2 | 0 | 0 | 0 | 111.7 | K1100 G1150 T1152 Y1161 A1257 | K1100-N1163 VanDerWaalsContact CE-OD1 3.26Å; K1100-N1163 WeakPolarHBondContact CE-OD1 3.37Å; K1100-N1163 VanDerWaalsContact CG-OD1 3.26Å; K1100-N1163 WeakPolarHBondContact CG-OD1 3.26Å; K1100-N1163 WeakPolarHBondContact O-CA 3.32Å; G1150-N1163 WeakPolarHBondContact CA-O 3.24Å; G1150-N1163 PolarHBondContact O-ND2 3.14Å; T1152-N1163 PolarHBondContact OG1-ND2 3.16Å; T1152-N1163 VanDerWaalsContact OG1-ND2 3.13Å; Y1161-N1163 PolarHBondContact O-N 3.35Å; N1163-A1257 PolarHBondContact O-N 3.01Å |
| 1164 | T | 81.4 | Confident | 70.1 | Confident | 25.6 Ų | 25.6 | 68.1 Ų | 68.1 | 16% | 0.157 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 152.4 | -170.4 | 59.1 | 0 | 0 | 0 | 0 | 113.1 | T1101 L1102 C1162 F1255 E1256 | T1101-T1164 WeakPolarHBondContact CA-O 3.37Å; T1101-T1164 VanDerWaalsContact CG2-O 3.25Å; T1101-T1164 WeakPolarHBondContact CG2-O 3.47Å; L1102-T1164 PolarHBondContact N-O 3.19Å; L1102-T1164 VanDerWaalsContact N-O 3.12Å; C1162-T1164 HydrophobicContact CB-CG2 3.78Å; C1162-T1164 PolarHBondContact O-N 3.46Å; C1162-T1164 PolarHBondContact O-OG1 3.28Å; T1164-F1255 CarbonylContact C-O 3.5Å; T1164-F1255 VanDerWaalsContact CA-O 3.25Å; T1164-F1255 WeakPolarHBondContact CA-O 3.37Å; T1164-F1255 WeakPolarHBondContact CB-O 3.28Å; T1164-E1256 HydrophobicContact CG2-CB 4.38Å; T1164-E1256 HydrophobicContact CG2-CG 4.25Å |
| 1165 | V | 90.2 | Very high | 71.9 | Confident | 9.4 Ų | 9.4 | 66 Ų | 66 | 6% | 0.057 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 132.8 | 158.3 | 179.6 | 0 | 0 | 0 | 0 | 107 | L1102 I1149 S1254 F1255 M1258 | L1102-V1165 HydrophobicContact CB-CG1 4.47Å; L1102-V1165 HydrophobicContact CB-CG2 4.38Å; L1102-V1165 HydrophobicContact CD2-CG1 4.03Å; L1102-V1165 HydrophobicContact CD2-CG2 4.43Å; L1102-V1165 HydrophobicContact CG-CG1 4.27Å; L1102-V1165 CarbonylContact O-C 3.53Å; L1102-V1165 VanDerWaalsContact O-CA 3.26Å; L1102-V1165 WeakPolarHBondContact O-CA 3.28Å; I1149-V1165 HydrophobicContact CB-CG2 3.78Å; I1149-V1165 HydrophobicContact CD1-CG2 3.52Å; I1149-V1165 VanDerWaalsContact CD1-CG2 3.48Å; I1149-V1165 HydrophobicContact CG1-CG2 4.2Å; I1149-V1165 HydrophobicContact CG2-CG2 3.57Å; V1165-S1254 CarbonylContact O-C 3.55Å; V1165-S1254 WeakPolarHBondContact O-CA 3.37Å; V1165-S1254 WeakPolarHBondContact O-CB 3.3Å; V1165-F1255 HydrophobicContact CB-CB 4.18Å; V1165-F1255 HydrophobicContact CB-CD2 4.39Å; V1165-F1255 HydrophobicContact CG1-CD2 4.4Å; V1165-F1255 PolarHBondContact N-O 3.07Å; V1165-F1255 PolarHBondContact O-N 3.2Å; V1165-M1258 HydrophobicContact CG2-CB 4.35Å; V1165-M1258 HydrophobicContact CG2-SD 3.99Å |
| 1166 | S | 91.2 | Very high | 74 | Confident | 9.4 Ų | 9.4 | 61.1 Ų | 61.1 | 7% | 0.066 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 136.7 | 171.7 | 61.5 | 0 | 0 | 0 | 0 | 111.4 | L1102 A1103 I1104 E1168 C1253 | L1102-S1166 PolarHBondContact O-N 3.08Å; A1103-S1166 CarbonylContact C-O 3.51Å; A1103-S1166 WeakPolarHBondContact CA-O 3.42Å; A1103-S1166 WeakPolarHBondContact CA-OG 3.4Å; I1104-S1166 PolarHBondContact N-O 2.87Å; S1166-E1168 PolarHBondContact OG-OE1 3.28Å; S1166-C1253 CarbonylContact C-O 3.57Å; S1166-C1253 WeakPolarHBondContact CA-O 3.27Å |
| 1167 | I | 92.9 | Very high | 75.8 | Confident | 62.6 Ų | 62.6 | 61.1 Ų | 61.1 | 32% | 0.321 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 118.3 | 171.9 | -56 | 175.3 | 0 | 0 | 0 | 106.6 | I1104 F1106 R1252 C1253 | I1104-I1167 HydrophobicContact CB-CG1 4.4Å; I1104-I1167 HydrophobicContact CD1-CG1 4.3Å; I1104-I1167 CarbonylContact O-C 3.52Å; I1104-I1167 WeakPolarHBondContact O-CA 3.35Å; F1106-I1167 HydrophobicContact CE2-CG2 4.31Å; I1167-R1252 CarbonylContact O-C 3.53Å; I1167-R1252 WeakPolarHBondContact O-CA 3.34Å; I1167-C1253 PolarHBondContact N-O 3.19Å; I1167-C1253 PolarHBondContact O-N 3.02Å |
| 1168 | E | 92.4 | Very high | 77.6 | Confident | 27 Ų | 27 | 59.5 Ų | 59.5 | 13% | 0.126 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 132.6 | -175.1 | -162.1 | 169 | -178.6 | 0 | 0 | 110.6 | I1104 V1105 F1106 S1166 T1248 S1249 F1251 R1252 | I1104-E1168 PolarHBondContact O-N 3.21Å; V1105-E1168 WeakPolarHBondContact CA-O 3.3Å; V1105-E1168 HydrophobicContact CG1-CB 4.47Å; V1105-E1168 HydrophobicContact CG1-CG 4.46Å; V1105-E1168 HydrophobicContact CG2-CB 4.37Å; F1106-E1168 PolarHBondContact N-O 3.11Å; S1166-E1168 PolarHBondContact OG-OE1 3.28Å; E1168-T1248 PolarHBondContact OE1-OG1 3.31Å; E1168-S1249 WeakPolarHBondContact CG-OG 3.15Å; E1168-S1249 VanDerWaalsContact OE1-CA 3.25Å; E1168-S1249 WeakPolarHBondContact OE1-CA 3.41Å; E1168-S1249 WeakPolarHBondContact OE1-CB 3.39Å; E1168-S1249 PolarHBondContact OE1-N 2.82Å; E1168-S1249 PolarHBondContact OE1-OG 3.05Å; E1168-F1251 CarbonylContact C-O 3.38Å; E1168-F1251 WeakPolarHBondContact CA-O 3.34Å; E1168-R1252 HydrophobicContact CG-CB 4.48Å; E1168-R1252 WeakPolarHBondContact OE2-CD 3.16Å; E1168-R1252 IonicContact OE2-CZ 3.58Å; E1168-R1252 IonicContact OE2-NE 3.85Å; E1168-R1252 IonicContact OE2-NH1 2.76Å; E1168-R1252 PolarHBondContact OE2-NH1 2.81Å |
| 1169 | I | 93.1 | Very high | 79.5 | Confident | 22.4 Ų | 22.4 | 56 Ų | 56 | 12% | 0.115 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 122.2 | 169 | -58.9 | 175.5 | 0 | 0 | 0 | 106.5 | F1106 L1250 F1251 I1434 C1437 L1438 I1441 | F1106-I1169 HydrophobicContact CD2-CG1 4.45Å; I1169-L1250 HydrophobicContact CG2-CD2 4.34Å; I1169-L1250 WeakPolarHBondContact O-CB 3.4Å; I1169-L1250 PolarHBondContact O-N 3.08Å; I1169-F1251 HydrophobicContact CD1-CD1 4.42Å; I1169-F1251 PolarHBondContact N-O 3.07Å; I1169-F1251 PolarHBondContact O-N 2.92Å; I1169-I1434 HydrophobicContact CD1-CG2 4.35Å; I1169-C1437 HydrophobicContact CG2-CB 3.59Å; I1169-L1438 HydrophobicContact CD1-CD2 3.82Å; I1169-L1438 HydrophobicContact CD1-CG 4.04Å; I1169-I1441 HydrophobicContact CD1-CD1 4.03Å; I1169-I1441 HydrophobicContact CG1-CD1 4Å |
| 1170 | C | 91.1 | Very high | 81.4 | Confident | 13.4 Ų | 13.4 | 55.2 Ų | 55.2 | 9% | 0.091 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 145.6 | -180 | -63.2 | 0 | 0 | 0 | 0 | 112.3 | V1105 F1106 T1248 | V1105-C1170 VanDerWaalsContact CG1-SG 3.56Å; F1106-C1170 WeakPolarHBondContact O-CB 3.34Å; F1106-C1170 PolarHBondContact O-N 3.01Å; F1106-C1170 PolarHBondContact O-SG 2.71Å; C1170-T1248 CarbonylContact C-O 3.53Å; C1170-T1248 VanDerWaalsContact CA-O 3.29Å; C1170-T1248 WeakPolarHBondContact CA-O 3.31Å; C1170-T1248 PolarHBondContact SG-OG1 2.67Å; C1170-T1248 VanDerWaalsContact SG-OG1 3.37Å |
| 1171 | D | 89.5 | Confident | 83.5 | Confident | 9 Ų | 9 | 52.5 Ų | 52.5 | 5% | 0.048 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -88.3 | 168.2 | 175.5 | -147.6 | -18.4 | 0 | 0 | 0 | 111.6 | Y1108 P1173 V1176 R1247 T1248 L1250 R1313 M1433 | Y1108-D1171 VanDerWaalsContact CB-O 3.27Å; Y1108-D1171 WeakPolarHBondContact CB-O 3.39Å; D1171-P1173 VanDerWaalsContact O-CD 3.3Å; D1171-P1173 WeakPolarHBondContact O-CD 3.42Å; D1171-V1176 HydrophobicContact CB-CG2 4.01Å; D1171-R1247 IonicContact OD2-NH2 3.89Å; D1171-T1248 WeakPolarHBondContact CB-O 3.49Å; D1171-T1248 PolarHBondContact N-O 3.17Å; D1171-L1250 HydrophobicContact CB-CB 3.74Å; D1171-L1250 VanDerWaalsContact OD2-CD1 3.24Å; D1171-L1250 WeakPolarHBondContact OD2-CD1 3.49Å; D1171-R1313 IonicContact OD1-CZ 3.94Å; D1171-R1313 IonicContact OD1-NE 2.74Å; D1171-R1313 IonicContact OD1-NH2 3.34Å; D1171-R1313 PolarHBondContact OD1-NH2 3.16Å; D1171-R1313 VanDerWaalsContact OD1-NH2 3.1Å; D1171-R1313 IonicContact OD2-CZ 3.02Å; D1171-R1313 VanDerWaalsContact OD2-CZ 3.27Å; D1171-R1313 IonicContact OD2-NE 3.39Å; D1171-R1313 PolarHBondContact OD2-NE 2.97Å; D1171-R1313 IonicContact OD2-NH2 3.02Å; D1171-R1313 PolarHBondContact OD2-NH2 2.9Å; D1171-M1433 WeakPolarHBondContact OD1-CE 3.45Å |
| 1172 | D | 87.8 | Confident | 85.5 | Confident | 29 Ų | 29 | 50.4 Ų | 50.4 | 16% | 0.155 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -61.8 | 119.9 | 176.4 | -169.6 | -28.7 | 0 | 0 | 0 | 110.4 | Y1108 F1174 E1175 V1176 M1433 K1652 | Y1108-D1172 HydrophobicContact CD1-CB 4.21Å; Y1108-D1172 VanDerWaalsContact CD2-CA 3.49Å; Y1108-D1172 HydrophobicContact CD2-CB 4.17Å; Y1108-D1172 HydrophobicContact CE1-CB 3.94Å; Y1108-D1172 VanDerWaalsContact CE1-CG 3.5Å; Y1108-D1172 VanDerWaalsContact CE1-OD2 3.28Å; Y1108-D1172 WeakPolarHBondContact CE1-OD2 3.34Å; Y1108-D1172 HydrophobicContact CE2-CB 3.74Å; Y1108-D1172 HydrophobicContact CG-CB 4.4Å; Y1108-D1172 VanDerWaalsContact CZ-CB 3.5Å; Y1108-D1172 VanDerWaalsContact CZ-CG 3.47Å; Y1108-D1172 PolarHBondContact OH-OD2 3.1Å; D1172-F1174 PolarHBondContact O-N 3.11Å; D1172-F1174 VanDerWaalsContact O-N 3.1Å; D1172-F1174 VanDerWaalsContact OD1-CB 3.31Å; D1172-F1174 WeakPolarHBondContact OD1-CB 3.37Å; D1172-F1174 PolarHBondContact OD1-N 3.14Å; D1172-E1175 HydrophobicContact CB-CB 4.07Å; D1172-E1175 HydrophobicContact CB-CG 3.95Å; D1172-E1175 WeakPolarHBondContact O-CB 3.49Å; D1172-E1175 PolarHBondContact O-N 3.06Å; D1172-V1176 WeakPolarHBondContact O-CG2 3.36Å; D1172-V1176 PolarHBondContact O-N 2.91Å; D1172-M1433 HydrophobicContact CB-CE 4.15Å; D1172-K1652 IonicContact OD2-NZ 3.01Å; D1172-K1652 PolarHBondContact OD2-NZ 3.24Å |
| 1173 | P | 86.2 | Confident | 87.1 | Confident | 70.8 Ų | 70.8 | 51.3 Ų | 51.3 | 46% | 0.46 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -55.3 | -27.7 | 177.9 | -25.5 | 34.3 | 0 | 0 | 0 | 113.8 | D1171 K1177 | D1171-P1173 VanDerWaalsContact O-CD 3.3Å; D1171-P1173 WeakPolarHBondContact O-CD 3.42Å; P1173-K1177 WeakPolarHBondContact O-CB 3.46Å; P1173-K1177 VanDerWaalsContact O-CG 3.28Å; P1173-K1177 WeakPolarHBondContact O-CG 3.41Å; P1173-K1177 PolarHBondContact O-N 3.15Å; P1173-K1177 VanDerWaalsContact O-N 3.12Å |
| 1174 | F | 87.2 | Confident | 88.1 | Confident | 134.4 Ų | 134.4 | 50.7 Ų | 50.7 | 59% | 0.589 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -70.8 | -45.3 | 174.7 | 176.4 | -107 | 0 | 0 | 0 | 111.9 | D1172 V1176 K1177 L1178 | D1172-F1174 PolarHBondContact O-N 3.11Å; D1172-F1174 VanDerWaalsContact O-N 3.1Å; D1172-F1174 VanDerWaalsContact OD1-CB 3.31Å; D1172-F1174 WeakPolarHBondContact OD1-CB 3.37Å; D1172-F1174 PolarHBondContact OD1-N 3.14Å; F1174-V1176 VanDerWaalsContact C-N 3.33Å; F1174-V1176 PolarHBondContact O-N 2.82Å; F1174-K1177 PolarHBondContact O-N 3.31Å; F1174-L1178 HydrophobicContact CD1-CD1 3.86Å; F1174-L1178 HydrophobicContact CD1-CG 4.44Å; F1174-L1178 HydrophobicContact CE1-CD1 3.3Å; F1174-L1178 VanDerWaalsContact CE1-CD1 3.45Å; F1174-L1178 HydrophobicContact CE1-CG 4.2Å; F1174-L1178 HydrophobicContact CE2-CD1 4.26Å; F1174-L1178 HydrophobicContact CE2-CD2 4.47Å; F1174-L1178 HydrophobicContact CE2-CG 4.31Å; F1174-L1178 HydrophobicContact CG-CD1 4.36Å; F1174-L1178 HydrophobicContact CZ-CD1 3.54Å; F1174-L1178 VanDerWaalsContact CZ-CD1 3.42Å; F1174-L1178 HydrophobicContact CZ-CD2 4.25Å; F1174-L1178 HydrophobicContact CZ-CG 4.08Å; F1174-L1178 WeakPolarHBondContact O-CB 3.4Å; F1174-L1178 WeakPolarHBondContact O-CG 3.4Å; F1174-L1178 PolarHBondContact O-N 3.03Å |
| 1175 | E | 85 | Confident | 88.5 | Confident | 67.8 Ų | 67.8 | 54.3 Ų | 54.3 | 32% | 0.317 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65 | -39.2 | 177.2 | -84.5 | -137.9 | 179.5 | 0 | 0 | 111.6 | D1172 L1178 R1179 R1313 K1652 | D1172-E1175 HydrophobicContact CB-CB 4.07Å; D1172-E1175 HydrophobicContact CB-CG 3.95Å; D1172-E1175 WeakPolarHBondContact O-CB 3.49Å; D1172-E1175 PolarHBondContact O-N 3.06Å; E1175-L1178 WeakPolarHBondContact O-CB 3.48Å; E1175-L1178 PolarHBondContact O-N 3.12Å; E1175-R1179 WeakPolarHBondContact O-CB 3.43Å; E1175-R1179 PolarHBondContact O-N 3.07Å; E1175-R1313 IonicContact OE1-NH2 2.83Å; E1175-R1313 IonicContact OE2-CZ 3.58Å; E1175-R1313 IonicContact OE2-NH1 3Å; E1175-R1313 PolarHBondContact OE2-NH1 3.33Å; E1175-R1313 IonicContact OE2-NH2 2.95Å; E1175-R1313 PolarHBondContact OE2-NH2 3.17Å; E1175-K1652 WeakPolarHBondContact OE1-CE 3.48Å; E1175-K1652 IonicContact OE1-NZ 2.96Å; E1175-K1652 PolarHBondContact OE1-NZ 2.75Å |
| 1176 | V | 86.2 | Confident | 88.5 | Confident | 8.8 Ų | 8.8 | 56.2 Ų | 56.2 | 5% | 0.053 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.1 | -51.5 | 173.3 | 171.8 | 0 | 0 | 0 | 0 | 110.3 | D1171 D1172 F1174 L1178 R1179 D1180 R1247 | D1171-V1176 HydrophobicContact CB-CG2 4.01Å; D1172-V1176 WeakPolarHBondContact O-CG2 3.36Å; D1172-V1176 PolarHBondContact O-N 2.91Å; F1174-V1176 VanDerWaalsContact C-N 3.33Å; F1174-V1176 PolarHBondContact O-N 2.82Å; V1176-L1178 VanDerWaalsContact C-N 3.33Å; V1176-L1178 PolarHBondContact O-N 3.17Å; V1176-R1179 WeakPolarHBondContact O-CB 3.1Å; V1176-R1179 PolarHBondContact O-N 3Å; V1176-R1179 VanDerWaalsContact O-N 3.14Å; V1176-D1180 WeakPolarHBondContact O-CB 3.4Å; V1176-D1180 PolarHBondContact O-N 3Å; V1176-R1247 WeakPolarHBondContact CG1-O 3.12Å; V1176-R1247 VanDerWaalsContact CG2-O 3.24Å; V1176-R1247 WeakPolarHBondContact CG2-O 3.28Å |
| 1177 | K | 86.3 | Confident | 88.4 | Confident | 103.4 Ų | 103.4 | 59.3 Ų | 59.3 | 45% | 0.45 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 178.7 | -76.8 | -179.4 | 177 | -177.6 | 0 | 112.9 | P1173 F1174 R1179 D1180 N1181 Y1241 | P1173-K1177 WeakPolarHBondContact O-CB 3.46Å; P1173-K1177 VanDerWaalsContact O-CG 3.28Å; P1173-K1177 WeakPolarHBondContact O-CG 3.41Å; P1173-K1177 PolarHBondContact O-N 3.15Å; P1173-K1177 VanDerWaalsContact O-N 3.12Å; F1174-K1177 PolarHBondContact O-N 3.31Å; K1177-R1179 VanDerWaalsContact C-N 3.32Å; K1177-R1179 PolarHBondContact O-N 2.85Å; K1177-D1180 PolarHBondContact O-N 2.94Å; K1177-N1181 VanDerWaalsContact O-CB 3.27Å; K1177-N1181 WeakPolarHBondContact O-CB 3.3Å; K1177-N1181 PolarHBondContact O-N 3.2Å; K1177-N1181 PolarHBondContact O-ND2 2.93Å; K1177-N1181 VanDerWaalsContact O-ND2 3.17Å; K1177-N1181 PolarHBondContact O-OD1 3.04Å; K1177-Y1241 HydrophobicContact CD-CE1 4.46Å; K1177-Y1241 HydrophobicContact CG-CE1 3.87Å; K1177-Y1241 PolarHBondContact O-OH 2.83Å |
| 1178 | L | 87.5 | Confident | 88.3 | Confident | 88.8 Ų | 88.8 | 56.8 Ų | 56.8 | 47% | 0.465 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.8 | -43.6 | 174.9 | -85.7 | 173.1 | 0 | 0 | 0 | 111.3 | F1174 E1175 V1176 N1181 Y1182 | F1174-L1178 HydrophobicContact CD1-CD1 3.86Å; F1174-L1178 HydrophobicContact CD1-CG 4.44Å; F1174-L1178 HydrophobicContact CE1-CD1 3.3Å; F1174-L1178 VanDerWaalsContact CE1-CD1 3.45Å; F1174-L1178 HydrophobicContact CE1-CG 4.2Å; F1174-L1178 HydrophobicContact CE2-CD1 4.26Å; F1174-L1178 HydrophobicContact CE2-CD2 4.47Å; F1174-L1178 HydrophobicContact CE2-CG 4.31Å; F1174-L1178 HydrophobicContact CG-CD1 4.36Å; F1174-L1178 HydrophobicContact CZ-CD1 3.54Å; F1174-L1178 VanDerWaalsContact CZ-CD1 3.42Å; F1174-L1178 HydrophobicContact CZ-CD2 4.25Å; F1174-L1178 HydrophobicContact CZ-CG 4.08Å; F1174-L1178 WeakPolarHBondContact O-CB 3.4Å; F1174-L1178 WeakPolarHBondContact O-CG 3.4Å; F1174-L1178 PolarHBondContact O-N 3.03Å; E1175-L1178 WeakPolarHBondContact O-CB 3.48Å; E1175-L1178 PolarHBondContact O-N 3.12Å; V1176-L1178 VanDerWaalsContact C-N 3.33Å; V1176-L1178 PolarHBondContact O-N 3.17Å; L1178-N1181 PolarHBondContact O-N 3.27Å; L1178-Y1182 VanDerWaalsContact O-CB 3.27Å; L1178-Y1182 WeakPolarHBondContact O-CB 3.34Å; L1178-Y1182 PolarHBondContact O-N 3.11Å |
| 1179 | R | 84.8 | Confident | 88.2 | Confident | 76.8 Ų | 76.8 | 62.2 Ų | 62.2 | 29% | 0.29 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.6 | -45.1 | 177.6 | -178.1 | 97.7 | 164.9 | 180 | -0.7 | 112.2 | E1175 V1176 K1177 N1181 Y1182 T1183 D1314 Y1484 | E1175-R1179 WeakPolarHBondContact O-CB 3.43Å; E1175-R1179 PolarHBondContact O-N 3.07Å; V1176-R1179 WeakPolarHBondContact O-CB 3.1Å; V1176-R1179 PolarHBondContact O-N 3Å; V1176-R1179 VanDerWaalsContact O-N 3.14Å; K1177-R1179 VanDerWaalsContact C-N 3.32Å; K1177-R1179 PolarHBondContact O-N 2.85Å; R1179-N1181 VanDerWaalsContact C-N 3.32Å; R1179-N1181 PolarHBondContact O-N 2.93Å; R1179-Y1182 WeakPolarHBondContact O-CB 3.38Å; R1179-Y1182 PolarHBondContact O-N 3.02Å; R1179-Y1182 VanDerWaalsContact O-N 3.1Å; R1179-T1183 WeakPolarHBondContact O-CB 3.33Å; R1179-T1183 PolarHBondContact O-N 3.06Å; R1179-T1183 PolarHBondContact O-OG1 3.1Å; R1179-T1183 VanDerWaalsContact O-OG1 3.09Å; R1179-D1314 WeakPolarHBondContact CD-OD2 3.19Å; R1179-D1314 IonicContact CZ-OD1 2.8Å; R1179-D1314 IonicContact CZ-OD2 3.47Å; R1179-D1314 IonicContact NE-OD1 3.09Å; R1179-D1314 PolarHBondContact NE-OD1 3.01Å; R1179-D1314 IonicContact NE-OD2 2.84Å; R1179-D1314 PolarHBondContact NE-OD2 3.06Å; R1179-D1314 VanDerWaalsContact NH2-CG 3.29Å; R1179-D1314 IonicContact NH2-OD1 3.1Å; R1179-D1314 PolarHBondContact NH2-OD1 3.48Å; R1179-D1314 IonicContact NH2-OD2 3.36Å; R1179-D1314 PolarHBondContact NH2-OD2 3.32Å; R1179-Y1484 VanDerWaalsContact CZ-CZ 3.4Å; R1179-Y1484 VanDerWaalsContact CZ-OH 3.3Å; R1179-Y1484 PolarHBondContact NE-OH 2.82Å; R1179-Y1484 VanDerWaalsContact NE-OH 3.14Å; R1179-Y1484 PolarHBondContact NH2-OH 2.87Å |
| 1180 | D | 85.5 | Confident | 88.2 | Confident | 36 Ų | 36 | 66.7 Ų | 66.7 | 19% | 0.193 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 177.5 | -72.4 | -13.5 | 0 | 0 | 0 | 110.7 | V1176 K1177 T1183 L1184 L1240 | V1176-D1180 WeakPolarHBondContact O-CB 3.4Å; V1176-D1180 PolarHBondContact O-N 3Å; K1177-D1180 PolarHBondContact O-N 2.94Å; D1180-T1183 PolarHBondContact O-N 3.26Å; D1180-L1184 WeakPolarHBondContact O-CB 3.29Å; D1180-L1184 PolarHBondContact O-N 3.11Å; D1180-L1240 HydrophobicContact CB-CD2 4.11Å |
| 1181 | N | 88.1 | Confident | 88.2 | Confident | 47.8 Ų | 47.8 | 69.7 Ų | 69.7 | 26% | 0.256 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65 | -40.6 | 174.7 | -70.5 | -16.8 | 0 | 0 | 0 | 112.3 | K1177 L1178 R1179 T1183 L1184 M1185 Y1233 Y1241 | K1177-N1181 VanDerWaalsContact O-CB 3.27Å; K1177-N1181 WeakPolarHBondContact O-CB 3.3Å; K1177-N1181 PolarHBondContact O-N 3.2Å; K1177-N1181 PolarHBondContact O-ND2 2.93Å; K1177-N1181 VanDerWaalsContact O-ND2 3.17Å; K1177-N1181 PolarHBondContact O-OD1 3.04Å; L1178-N1181 PolarHBondContact O-N 3.27Å; R1179-N1181 VanDerWaalsContact C-N 3.32Å; R1179-N1181 PolarHBondContact O-N 2.93Å; N1181-T1183 VanDerWaalsContact C-N 3.34Å; N1181-T1183 PolarHBondContact O-N 3.2Å; N1181-L1184 PolarHBondContact O-N 3.17Å; N1181-M1185 VanDerWaalsContact O-CB 3.26Å; N1181-M1185 WeakPolarHBondContact O-CB 3.26Å; N1181-M1185 VanDerWaalsContact O-CG 3.28Å; N1181-M1185 WeakPolarHBondContact O-CG 3.3Å; N1181-M1185 PolarHBondContact O-N 2.91Å; N1181-Y1233 PolarHBondContact O-OH 3.28Å; N1181-Y1233 VanDerWaalsContact O-OH 3.1Å; N1181-Y1241 PolarHBondContact OD1-OH 3.37Å |
| 1182 | Y | 88.6 | Confident | 88.2 | Confident | 137 Ų | 137 | 70.6 Ų | 70.6 | 54% | 0.537 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63 | -46 | 175.9 | 175.2 | -95.2 | 0 | 0 | 0 | 111.5 | L1178 R1179 L1184 M1185 V1186 | L1178-Y1182 VanDerWaalsContact O-CB 3.27Å; L1178-Y1182 WeakPolarHBondContact O-CB 3.34Å; L1178-Y1182 PolarHBondContact O-N 3.11Å; R1179-Y1182 WeakPolarHBondContact O-CB 3.38Å; R1179-Y1182 PolarHBondContact O-N 3.02Å; R1179-Y1182 VanDerWaalsContact O-N 3.1Å; Y1182-L1184 VanDerWaalsContact C-N 3.33Å; Y1182-L1184 PolarHBondContact O-N 2.96Å; Y1182-M1185 HydrophobicContact CD2-CE 3.79Å; Y1182-M1185 HydrophobicContact CE2-CE 4.07Å; Y1182-M1185 WeakPolarHBondContact O-CB 3.22Å; Y1182-M1185 PolarHBondContact O-N 3.18Å; Y1182-M1185 VanDerWaalsContact O-N 3.11Å; Y1182-V1186 HydrophobicContact CD1-CG2 4.25Å; Y1182-V1186 HydrophobicContact CE1-CG2 3.79Å; Y1182-V1186 HydrophobicContact CE2-CG2 4.17Å; Y1182-V1186 WeakPolarHBondContact O-CG2 3.22Å; Y1182-V1186 PolarHBondContact O-N 2.95Å |
| 1183 | T | 85.6 | Confident | 88.3 | Confident | 67.6 Ų | 67.6 | 74 Ų | 74 | 42% | 0.415 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 177.7 | -52 | 0 | 0 | 0 | 0 | 110.7 | R1179 D1180 N1181 M1185 V1186 D1187 | R1179-T1183 WeakPolarHBondContact O-CB 3.33Å; R1179-T1183 PolarHBondContact O-N 3.06Å; R1179-T1183 PolarHBondContact O-OG1 3.1Å; R1179-T1183 VanDerWaalsContact O-OG1 3.09Å; D1180-T1183 PolarHBondContact O-N 3.26Å; N1181-T1183 VanDerWaalsContact C-N 3.34Å; N1181-T1183 PolarHBondContact O-N 3.2Å; T1183-M1185 VanDerWaalsContact C-N 3.33Å; T1183-M1185 PolarHBondContact O-N 3.11Å; T1183-V1186 PolarHBondContact O-N 3.08Å; T1183-D1187 PolarHBondContact O-N 3.12Å; T1183-D1187 VanDerWaalsContact O-N 3.09Å |
| 1184 | L | 89.5 | Confident | 88.6 | Confident | 16.8 Ų | 16.8 | 74.8 Ų | 74.8 | 9% | 0.088 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.1 | -38.2 | 174.2 | -179.6 | 65.4 | 0 | 0 | 0 | 112.4 | D1180 N1181 Y1182 D1187 E1188 Y1233 R1236 L1240 | D1180-L1184 WeakPolarHBondContact O-CB 3.29Å; D1180-L1184 PolarHBondContact O-N 3.11Å; N1181-L1184 PolarHBondContact O-N 3.17Å; Y1182-L1184 VanDerWaalsContact C-N 3.33Å; Y1182-L1184 PolarHBondContact O-N 2.96Å; L1184-D1187 PolarHBondContact O-N 3.06Å; L1184-E1188 HydrophobicContact CD1-CG 4.43Å; L1184-E1188 VanDerWaalsContact O-CB 3.24Å; L1184-E1188 WeakPolarHBondContact O-CB 3.29Å; L1184-E1188 PolarHBondContact O-N 2.78Å; L1184-Y1233 HydrophobicContact CB-CE2 4.41Å; L1184-Y1233 HydrophobicContact CD2-CD2 4.19Å; L1184-Y1233 HydrophobicContact CD2-CE2 3.82Å; L1184-Y1233 HydrophobicContact CG-CD2 4.13Å; L1184-Y1233 HydrophobicContact CG-CE2 3.81Å; L1184-R1236 HydrophobicContact CD1-CB 3.97Å; L1184-R1236 HydrophobicContact CD2-CB 4.23Å; L1184-L1240 HydrophobicContact CD2-CD2 4.44Å |
| 1185 | M | 90.3 | Very high | 88.8 | Confident | 102 Ų | 102 | 70.8 Ų | 70.8 | 50% | 0.502 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67.2 | -39 | 178.1 | -139.8 | -176.8 | 70.5 | 0 | 0 | 111.9 | N1181 Y1182 T1183 E1188 Y1189 Y1233 | N1181-M1185 VanDerWaalsContact O-CB 3.26Å; N1181-M1185 WeakPolarHBondContact O-CB 3.26Å; N1181-M1185 VanDerWaalsContact O-CG 3.28Å; N1181-M1185 WeakPolarHBondContact O-CG 3.3Å; N1181-M1185 PolarHBondContact O-N 2.91Å; Y1182-M1185 HydrophobicContact CD2-CE 3.79Å; Y1182-M1185 HydrophobicContact CE2-CE 4.07Å; Y1182-M1185 WeakPolarHBondContact O-CB 3.22Å; Y1182-M1185 PolarHBondContact O-N 3.18Å; Y1182-M1185 VanDerWaalsContact O-N 3.11Å; T1183-M1185 VanDerWaalsContact C-N 3.33Å; T1183-M1185 PolarHBondContact O-N 3.11Å; M1185-E1188 PolarHBondContact O-N 3.17Å; M1185-Y1189 VanDerWaalsContact O-CB 3.29Å; M1185-Y1189 WeakPolarHBondContact O-CB 3.35Å; M1185-Y1189 PolarHBondContact O-N 3.16Å; M1185-Y1233 HydrophobicContact CB-CE2 4Å; M1185-Y1233 HydrophobicContact CG-CE2 4.05Å |
| 1186 | V | 88.9 | Confident | 89.1 | Confident | 50.2 Ų | 50.2 | 68.4 Ų | 68.4 | 30% | 0.304 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.7 | -47.1 | 175.1 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | Y1182 T1183 E1188 Y1189 F1190 | Y1182-V1186 HydrophobicContact CD1-CG2 4.25Å; Y1182-V1186 HydrophobicContact CE1-CG2 3.79Å; Y1182-V1186 HydrophobicContact CE2-CG2 4.17Å; Y1182-V1186 WeakPolarHBondContact O-CG2 3.22Å; Y1182-V1186 PolarHBondContact O-N 2.95Å; T1183-V1186 PolarHBondContact O-N 3.08Å; V1186-E1188 VanDerWaalsContact C-N 3.34Å; V1186-E1188 PolarHBondContact O-N 3.17Å; V1186-Y1189 WeakPolarHBondContact O-CB 3.37Å; V1186-Y1189 PolarHBondContact O-N 3.13Å; V1186-F1190 HydrophobicContact CG1-CD2 4.16Å; V1186-F1190 HydrophobicContact CG1-CE2 3.71Å; V1186-F1190 WeakPolarHBondContact O-CD2 3.45Å; V1186-F1190 PolarHBondContact O-N 3.2Å |
| 1187 | D | 90 | Very high | 89.3 | Confident | 73.2 Ų | 73.2 | 70.4 Ų | 70.4 | 39% | 0.391 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.1 | -44.8 | 176.2 | -139.7 | 38.3 | 0 | 0 | 0 | 111.8 | T1183 L1184 Y1189 F1190 E1191 R1236 | T1183-D1187 PolarHBondContact O-N 3.12Å; T1183-D1187 VanDerWaalsContact O-N 3.09Å; L1184-D1187 PolarHBondContact O-N 3.06Å; D1187-Y1189 VanDerWaalsContact C-N 3.3Å; D1187-Y1189 PolarHBondContact O-N 2.89Å; D1187-F1190 PolarHBondContact O-N 3.15Å; D1187-E1191 WeakPolarHBondContact O-CG 3.44Å; D1187-E1191 PolarHBondContact O-N 2.85Å; D1187-E1191 VanDerWaalsContact O-N 3.13Å; D1187-R1236 IonicContact OD2-CZ 3.63Å; D1187-R1236 VanDerWaalsContact OD2-CZ 3.26Å; D1187-R1236 IonicContact OD2-NH1 3.17Å; D1187-R1236 PolarHBondContact OD2-NH1 3.16Å; D1187-R1236 IonicContact OD2-NH2 3.69Å; D1187-R1236 PolarHBondContact OD2-NH2 3.15Å |
| 1188 | E | 91 | Very high | 89.5 | Confident | 11 Ų | 11 | 69.9 Ų | 69.9 | 5% | 0.051 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.1 | -28.7 | 178.5 | -159.7 | 48.3 | -166.9 | 0 | 0 | 113 | L1184 M1185 V1186 E1191 A1192 R1195 I1232 Y1233 R1236 | L1184-E1188 HydrophobicContact CD1-CG 4.43Å; L1184-E1188 VanDerWaalsContact O-CB 3.24Å; L1184-E1188 WeakPolarHBondContact O-CB 3.29Å; L1184-E1188 PolarHBondContact O-N 2.78Å; M1185-E1188 PolarHBondContact O-N 3.17Å; V1186-E1188 VanDerWaalsContact C-N 3.34Å; V1186-E1188 PolarHBondContact O-N 3.17Å; E1188-E1191 PolarHBondContact O-N 3.29Å; E1188-A1192 WeakPolarHBondContact O-CB 3.36Å; E1188-A1192 PolarHBondContact O-N 3.09Å; E1188-R1195 VanDerWaalsContact CD-NH2 3.29Å; E1188-R1195 IonicContact OE1-CZ 3.17Å; E1188-R1195 VanDerWaalsContact OE1-CZ 3.29Å; E1188-R1195 IonicContact OE1-NH1 3.24Å; E1188-R1195 PolarHBondContact OE1-NH1 3.11Å; E1188-R1195 IonicContact OE1-NH2 3.43Å; E1188-R1195 PolarHBondContact OE1-NH2 3.06Å; E1188-R1195 VanDerWaalsContact OE1-NH2 3.1Å; E1188-R1195 IonicContact OE2-CZ 3.54Å; E1188-R1195 IonicContact OE2-NH1 3.88Å; E1188-R1195 PolarHBondContact OE2-NH1 2.79Å; E1188-R1195 VanDerWaalsContact OE2-NH1 3.13Å; E1188-R1195 IonicContact OE2-NH2 3.29Å; E1188-R1195 PolarHBondContact OE2-NH2 3.02Å; E1188-I1232 WeakPolarHBondContact OE1-CG2 3.45Å; E1188-Y1233 HydrophobicContact CB-CD2 4.14Å; E1188-Y1233 HydrophobicContact CG-CD2 3.98Å; E1188-Y1233 HydrophobicContact CG-CG 4.44Å; E1188-R1236 WeakPolarHBondContact OE1-CD 3.42Å; E1188-R1236 IonicContact OE1-CZ 2.77Å; E1188-R1236 IonicContact OE1-NE 3.25Å; E1188-R1236 PolarHBondContact OE1-NE 3.12Å; E1188-R1236 IonicContact OE1-NH1 3.98Å; E1188-R1236 PolarHBondContact OE1-NH1 3.31Å; E1188-R1236 WeakPolarHBondContact OE2-CD 3.38Å; E1188-R1236 IonicContact OE2-CZ 3.19Å; E1188-R1236 IonicContact OE2-NE 3.17Å; E1188-R1236 IonicContact OE2-NH1 3.23Å; E1188-R1236 PolarHBondContact OE2-NH1 3.15Å |
| 1189 | Y | 90.2 | Very high | 89.6 | Confident | 140.8 Ų | 140.8 | 67.4 Ų | 67.4 | 55% | 0.552 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -62.2 | -50.6 | 173.1 | 174 | -92.8 | 0 | 0 | 0 | 111 | M1185 V1186 D1187 E1191 A1192 E1193 | M1185-Y1189 VanDerWaalsContact O-CB 3.29Å; M1185-Y1189 WeakPolarHBondContact O-CB 3.35Å; M1185-Y1189 PolarHBondContact O-N 3.16Å; V1186-Y1189 WeakPolarHBondContact O-CB 3.37Å; V1186-Y1189 PolarHBondContact O-N 3.13Å; D1187-Y1189 VanDerWaalsContact C-N 3.3Å; D1187-Y1189 PolarHBondContact O-N 2.89Å; Y1189-E1191 VanDerWaalsContact C-N 3.32Å; Y1189-E1191 PolarHBondContact O-N 2.88Å; Y1189-A1192 PolarHBondContact O-N 3.02Å; Y1189-A1192 VanDerWaalsContact O-N 3.15Å; Y1189-E1193 HydrophobicContact CE1-CG 4.33Å; Y1189-E1193 WeakPolarHBondContact CE1-OE2 3.49Å; Y1189-E1193 HydrophobicContact CE2-CG 4.33Å; Y1189-E1193 PolarHBondContact O-N 3.08Å; Y1189-E1193 PolarHBondContact OH-OE1 2.89Å |
| 1190 | F | 92.4 | Very high | 89.7 | Confident | 115.2 Ų | 115.2 | 70.4 Ų | 70.4 | 51% | 0.505 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63 | -40.6 | 177.4 | -70.5 | -65 | 0 | 0 | 0 | 112 | V1186 D1187 A1192 E1193 N1194 | V1186-F1190 HydrophobicContact CG1-CD2 4.16Å; V1186-F1190 HydrophobicContact CG1-CE2 3.71Å; V1186-F1190 WeakPolarHBondContact O-CD2 3.45Å; V1186-F1190 PolarHBondContact O-N 3.2Å; D1187-F1190 PolarHBondContact O-N 3.15Å; F1190-A1192 VanDerWaalsContact C-N 3.33Å; F1190-A1192 PolarHBondContact O-N 3.21Å; F1190-E1193 PolarHBondContact O-N 3.12Å; F1190-N1194 WeakPolarHBondContact O-CB 3.31Å; F1190-N1194 VanDerWaalsContact O-CG 3.29Å; F1190-N1194 PolarHBondContact O-N 2.95Å; F1190-N1194 PolarHBondContact O-ND2 3.06Å |
| 1191 | E | 91.2 | Very high | 89.8 | Confident | 78.2 Ų | 78.2 | 71.2 Ų | 71.2 | 37% | 0.365 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.3 | -36.2 | 175.3 | -75.6 | -68.7 | 143.8 | 0 | 0 | 112.8 | D1187 E1188 Y1189 E1193 N1194 R1195 R1236 | D1187-E1191 WeakPolarHBondContact O-CG 3.44Å; D1187-E1191 PolarHBondContact O-N 2.85Å; D1187-E1191 VanDerWaalsContact O-N 3.13Å; E1188-E1191 PolarHBondContact O-N 3.29Å; Y1189-E1191 VanDerWaalsContact C-N 3.32Å; Y1189-E1191 PolarHBondContact O-N 2.88Å; E1191-E1193 VanDerWaalsContact C-N 3.34Å; E1191-N1194 PolarHBondContact O-N 3.24Å; E1191-N1194 PolarHBondContact OE1-ND2 2.89Å; E1191-R1195 VanDerWaalsContact C-NH2 3.3Å; E1191-R1195 VanDerWaalsContact CB-NH2 3.32Å; E1191-R1195 WeakPolarHBondContact O-CB 3.37Å; E1191-R1195 VanDerWaalsContact O-CG 3.27Å; E1191-R1195 WeakPolarHBondContact O-CG 3.37Å; E1191-R1195 PolarHBondContact O-N 2.96Å; E1191-R1195 PolarHBondContact O-NE 3.07Å; E1191-R1195 VanDerWaalsContact O-NE 3.14Å; E1191-R1195 IonicContact OE2-NH2 3.25Å; E1191-R1236 IonicContact OE2-NH2 2.69Å; E1191-R1236 PolarHBondContact OE2-NH2 3.04Å |
| 1192 | A | 89.4 | Confident | 89.6 | Confident | 27.8 Ų | 27.8 | 76.4 Ų | 76.4 | 23% | 0.23 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -68.4 | -39 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E1188 Y1189 F1190 R1195 A1196 | E1188-A1192 WeakPolarHBondContact O-CB 3.36Å; E1188-A1192 PolarHBondContact O-N 3.09Å; Y1189-A1192 PolarHBondContact O-N 3.02Å; Y1189-A1192 VanDerWaalsContact O-N 3.15Å; F1190-A1192 VanDerWaalsContact C-N 3.33Å; F1190-A1192 PolarHBondContact O-N 3.21Å; A1192-R1195 PolarHBondContact O-N 3.11Å; A1192-A1196 WeakPolarHBondContact O-CB 3.35Å; A1192-A1196 PolarHBondContact O-N 2.81Å |
| 1193 | E | 90.5 | Very high | 89.3 | Confident | 99.2 Ų | 99.2 | 70.9 Ų | 70.9 | 46% | 0.464 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 172.7 | -138.5 | -166.9 | -175.8 | 0 | 0 | 111.3 | Y1189 F1190 E1191 R1195 A1196 A1197 | Y1189-E1193 HydrophobicContact CE1-CG 4.33Å; Y1189-E1193 WeakPolarHBondContact CE1-OE2 3.49Å; Y1189-E1193 HydrophobicContact CE2-CG 4.33Å; Y1189-E1193 PolarHBondContact O-N 3.08Å; Y1189-E1193 PolarHBondContact OH-OE1 2.89Å; F1190-E1193 PolarHBondContact O-N 3.12Å; E1191-E1193 VanDerWaalsContact C-N 3.34Å; E1193-R1195 VanDerWaalsContact C-N 3.33Å; E1193-R1195 PolarHBondContact O-N 3.15Å; E1193-A1196 CarbonylContact O-C 3.56Å; E1193-A1196 WeakPolarHBondContact O-CB 3.27Å; E1193-A1196 PolarHBondContact O-N 3.18Å; E1193-A1196 VanDerWaalsContact O-N 3.14Å; E1193-A1197 WeakPolarHBondContact O-CB 3.33Å; E1193-A1197 PolarHBondContact O-N 2.94Å |
| 1194 | N | 92.5 | Very high | 89.2 | Confident | 87.4 Ų | 87.4 | 73.7 Ų | 73.7 | 47% | 0.467 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -57.7 | -45.3 | 174.1 | -73.9 | -22.2 | 0 | 0 | 0 | 111.7 | F1190 E1191 A1196 A1197 I1198 | F1190-N1194 WeakPolarHBondContact O-CB 3.31Å; F1190-N1194 VanDerWaalsContact O-CG 3.29Å; F1190-N1194 PolarHBondContact O-N 2.95Å; F1190-N1194 PolarHBondContact O-ND2 3.06Å; E1191-N1194 PolarHBondContact O-N 3.24Å; E1191-N1194 PolarHBondContact OE1-ND2 2.89Å; N1194-A1196 VanDerWaalsContact C-N 3.33Å; N1194-A1196 PolarHBondContact O-N 2.88Å; N1194-A1197 PolarHBondContact O-N 2.88Å; N1194-I1198 WeakPolarHBondContact O-CD1 3.38Å; N1194-I1198 VanDerWaalsContact O-CG1 3.27Å; N1194-I1198 WeakPolarHBondContact O-CG1 3.41Å; N1194-I1198 PolarHBondContact O-N 2.96Å |
| 1195 | R | 92.2 | Very high | 88.8 | Confident | 51 Ų | 51 | 78.5 Ų | 78.5 | 19% | 0.192 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.3 | -39.1 | 175.9 | -72.5 | 174.1 | -116 | 161.2 | -2.5 | 112.2 | E1188 E1191 A1192 E1193 I1198 L1199 L1225 S1229 | E1188-R1195 VanDerWaalsContact CD-NH2 3.29Å; E1188-R1195 IonicContact OE1-CZ 3.17Å; E1188-R1195 VanDerWaalsContact OE1-CZ 3.29Å; E1188-R1195 IonicContact OE1-NH1 3.24Å; E1188-R1195 PolarHBondContact OE1-NH1 3.11Å; E1188-R1195 IonicContact OE1-NH2 3.43Å; E1188-R1195 PolarHBondContact OE1-NH2 3.06Å; E1188-R1195 VanDerWaalsContact OE1-NH2 3.1Å; E1188-R1195 IonicContact OE2-CZ 3.54Å; E1188-R1195 IonicContact OE2-NH1 3.88Å; E1188-R1195 PolarHBondContact OE2-NH1 2.79Å; E1188-R1195 VanDerWaalsContact OE2-NH1 3.13Å; E1188-R1195 IonicContact OE2-NH2 3.29Å; E1188-R1195 PolarHBondContact OE2-NH2 3.02Å; E1191-R1195 VanDerWaalsContact C-NH2 3.3Å; E1191-R1195 VanDerWaalsContact CB-NH2 3.32Å; E1191-R1195 WeakPolarHBondContact O-CB 3.37Å; E1191-R1195 VanDerWaalsContact O-CG 3.27Å; E1191-R1195 WeakPolarHBondContact O-CG 3.37Å; E1191-R1195 PolarHBondContact O-N 2.96Å; E1191-R1195 PolarHBondContact O-NE 3.07Å; E1191-R1195 VanDerWaalsContact O-NE 3.14Å; E1191-R1195 IonicContact OE2-NH2 3.25Å; A1192-R1195 PolarHBondContact O-N 3.11Å; E1193-R1195 VanDerWaalsContact C-N 3.33Å; E1193-R1195 PolarHBondContact O-N 3.15Å; R1195-I1198 PolarHBondContact O-N 3.17Å; R1195-L1199 WeakPolarHBondContact O-CB 3.43Å; R1195-L1199 PolarHBondContact O-N 3.05Å; R1195-L1225 HydrophobicContact CB-CD1 4.23Å; R1195-S1229 PolarHBondContact NE-OG 3.4Å; R1195-S1229 VanDerWaalsContact NH1-CA 3.31Å; R1195-S1229 PolarHBondContact NH1-OG 2.99Å |
| 1196 | A | 89.4 | Confident | 88.1 | Confident | 17 Ų | 17 | 78.5 Ų | 78.5 | 14% | 0.14 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -67.5 | -39.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1192 E1193 N1194 L1199 R1200 L1225 | A1192-A1196 WeakPolarHBondContact O-CB 3.35Å; A1192-A1196 PolarHBondContact O-N 2.81Å; E1193-A1196 CarbonylContact O-C 3.56Å; E1193-A1196 WeakPolarHBondContact O-CB 3.27Å; E1193-A1196 PolarHBondContact O-N 3.18Å; E1193-A1196 VanDerWaalsContact O-N 3.14Å; N1194-A1196 VanDerWaalsContact C-N 3.33Å; N1194-A1196 PolarHBondContact O-N 2.88Å; A1196-L1199 PolarHBondContact O-N 3.02Å; A1196-R1200 VanDerWaalsContact O-CG 3.31Å; A1196-R1200 WeakPolarHBondContact O-CG 3.31Å; A1196-R1200 PolarHBondContact O-N 3.2Å; A1196-L1225 HydrophobicContact CB-CD2 4.1Å |
| 1197 | A | 91.9 | Very high | 87.4 | Confident | 51 Ų | 51 | 79.4 Ų | 79.4 | 42% | 0.421 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1193 N1194 L1199 R1200 S1201 | E1193-A1197 WeakPolarHBondContact O-CB 3.33Å; E1193-A1197 PolarHBondContact O-N 2.94Å; N1194-A1197 PolarHBondContact O-N 2.88Å; A1197-L1199 VanDerWaalsContact C-N 3.34Å; A1197-L1199 PolarHBondContact O-N 2.96Å; A1197-R1200 PolarHBondContact O-N 3.03Å; A1197-S1201 PolarHBondContact O-N 3.17Å |
| 1198 | I | 90.5 | Very high | 86.5 | Confident | 94 Ų | 94 | 83.3 Ų | 83.3 | 48% | 0.482 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 175.4 | -66.3 | 163.2 | 0 | 0 | 0 | 111.2 | N1194 R1195 S1201 R1202 | N1194-I1198 WeakPolarHBondContact O-CD1 3.38Å; N1194-I1198 VanDerWaalsContact O-CG1 3.27Å; N1194-I1198 WeakPolarHBondContact O-CG1 3.41Å; N1194-I1198 PolarHBondContact O-N 2.96Å; R1195-I1198 PolarHBondContact O-N 3.17Å; I1198-S1201 PolarHBondContact O-N 3.2Å; I1198-S1201 PolarHBondContact O-OG 3.19Å; I1198-R1202 WeakPolarHBondContact O-CG 3.38Å; I1198-R1202 PolarHBondContact O-N 3.18Å; I1198-R1202 VanDerWaalsContact O-N 3.07Å |
| 1199 | L | 88 | Confident | 85.6 | Confident | 35.4 Ų | 35.4 | 86.6 Ų | 86.6 | 19% | 0.185 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -64.9 | -43.5 | 176.5 | -178.2 | 63.3 | 0 | 0 | 0 | 111.2 | R1195 A1196 A1197 R1202 I1203 L1221 F1222 L1225 | R1195-L1199 WeakPolarHBondContact O-CB 3.43Å; R1195-L1199 PolarHBondContact O-N 3.05Å; A1196-L1199 PolarHBondContact O-N 3.02Å; A1197-L1199 VanDerWaalsContact C-N 3.34Å; A1197-L1199 PolarHBondContact O-N 2.96Å; L1199-R1202 PolarHBondContact O-N 3.05Å; L1199-I1203 HydrophobicContact CD1-CD1 4.29Å; L1199-I1203 HydrophobicContact CD1-CG1 4.41Å; L1199-I1203 HydrophobicContact CD2-CD1 4.44Å; L1199-I1203 HydrophobicContact CG-CD1 3.89Å; L1199-I1203 HydrophobicContact CG-CG1 4.47Å; L1199-I1203 VanDerWaalsContact O-CG1 3.29Å; L1199-I1203 WeakPolarHBondContact O-CG1 3.38Å; L1199-I1203 PolarHBondContact O-N 3.05Å; L1199-L1221 HydrophobicContact CD2-CB 4.45Å; L1199-F1222 HydrophobicContact CD2-CD1 3.89Å; L1199-F1222 HydrophobicContact CD2-CE1 3.84Å; L1199-F1222 HydrophobicContact CD2-CG 4.31Å; L1199-F1222 HydrophobicContact CD2-CZ 4.29Å; L1199-F1222 HydrophobicContact CG-CE1 4.37Å; L1199-L1225 HydrophobicContact CB-CD1 3.8Å; L1199-L1225 HydrophobicContact CB-CD2 4.24Å; L1199-L1225 HydrophobicContact CD2-CB 4.15Å; L1199-L1225 HydrophobicContact CD2-CD1 3.56Å; L1199-L1225 HydrophobicContact CD2-CD2 3.7Å; L1199-L1225 HydrophobicContact CD2-CG 4.45Å; L1199-L1225 HydrophobicContact CG-CD1 4.25Å |
| 1200 | R | 87.8 | Confident | 84.5 | Confident | 139.6 Ų | 139.6 | 83.1 Ų | 83.1 | 53% | 0.527 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -59.4 | -47.5 | 175.6 | -74.7 | 173.6 | -173.8 | 155.6 | 2.2 | 111.7 | A1196 A1197 R1202 I1203 E1204 F1222 | A1196-R1200 VanDerWaalsContact O-CG 3.31Å; A1196-R1200 WeakPolarHBondContact O-CG 3.31Å; A1196-R1200 PolarHBondContact O-N 3.2Å; A1197-R1200 PolarHBondContact O-N 3.03Å; R1200-R1202 VanDerWaalsContact C-N 3.29Å; R1200-R1202 PolarHBondContact O-N 3.27Å; R1200-I1203 WeakPolarHBondContact O-CB 3.44Å; R1200-I1203 PolarHBondContact O-N 3.04Å; R1200-I1203 VanDerWaalsContact O-N 3.12Å; R1200-E1204 WeakPolarHBondContact O-CG 3.31Å; R1200-E1204 PolarHBondContact O-N 3.02Å; R1200-F1222 HydrophobicContact CG-CE1 4.32Å; R1200-F1222 HydrophobicContact CG-CZ 4.01Å |
| 1201 | S | 87.7 | Confident | 83.1 | Confident | 53.4 Ų | 53.4 | 81.7 Ų | 81.7 | 37% | 0.373 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -57.1 | -42.9 | 176.1 | 168.2 | 0 | 0 | 0 | 0 | 111.9 | A1197 I1198 I1203 E1204 E1205 | A1197-S1201 PolarHBondContact O-N 3.17Å; I1198-S1201 PolarHBondContact O-N 3.2Å; I1198-S1201 PolarHBondContact O-OG 3.19Å; S1201-I1203 PolarHBondContact O-N 2.9Å; S1201-E1204 PolarHBondContact O-N 3.01Å; S1201-E1205 VanDerWaalsContact C-OE1 3.25Å; S1201-E1205 WeakPolarHBondContact CB-OE1 3.27Å; S1201-E1205 WeakPolarHBondContact O-CB 3.5Å; S1201-E1205 VanDerWaalsContact O-CD 3.3Å; S1201-E1205 WeakPolarHBondContact O-CG 3.36Å; S1201-E1205 PolarHBondContact O-N 3.12Å; S1201-E1205 PolarHBondContact OG-OE1 3.28Å |
| 1202 | R | 84.9 | Confident | 81.5 | Confident | 157.2 Ų | 157.2 | 82.4 Ų | 82.4 | 59% | 0.593 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -68.1 | -35.7 | 176.7 | -74 | -178.6 | 179.7 | -171.5 | -0.4 | 113.5 | I1198 L1199 R1200 E1204 E1205 Q1206 | I1198-R1202 WeakPolarHBondContact O-CG 3.38Å; I1198-R1202 PolarHBondContact O-N 3.18Å; I1198-R1202 VanDerWaalsContact O-N 3.07Å; L1199-R1202 PolarHBondContact O-N 3.05Å; R1200-R1202 VanDerWaalsContact C-N 3.29Å; R1200-R1202 PolarHBondContact O-N 3.27Å; R1202-E1204 VanDerWaalsContact C-N 3.34Å; R1202-E1205 PolarHBondContact O-N 3.02Å; R1202-Q1206 WeakPolarHBondContact O-CB 3.39Å; R1202-Q1206 WeakPolarHBondContact O-CG 3.39Å; R1202-Q1206 PolarHBondContact O-N 2.93Å |
| 1203 | I | 82.3 | Confident | 79.9 | Confident | 20.8 Ų | 20.8 | 86 Ų | 86 | 11% | 0.107 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -64.3 | -44.7 | 173.9 | -70.4 | 162.9 | 0 | 0 | 0 | 109.4 | L1199 R1200 S1201 E1205 Q1206 C1207 L1212 L1218 F1222 | L1199-I1203 HydrophobicContact CD1-CD1 4.29Å; L1199-I1203 HydrophobicContact CD1-CG1 4.41Å; L1199-I1203 HydrophobicContact CD2-CD1 4.44Å; L1199-I1203 HydrophobicContact CG-CD1 3.89Å; L1199-I1203 HydrophobicContact CG-CG1 4.47Å; L1199-I1203 VanDerWaalsContact O-CG1 3.29Å; L1199-I1203 WeakPolarHBondContact O-CG1 3.38Å; L1199-I1203 PolarHBondContact O-N 3.05Å; R1200-I1203 WeakPolarHBondContact O-CB 3.44Å; R1200-I1203 PolarHBondContact O-N 3.04Å; R1200-I1203 VanDerWaalsContact O-N 3.12Å; S1201-I1203 PolarHBondContact O-N 2.9Å; I1203-E1205 PolarHBondContact O-N 2.83Å; I1203-Q1206 PolarHBondContact O-N 2.96Å; I1203-C1207 WeakPolarHBondContact O-CB 3.42Å; I1203-C1207 PolarHBondContact O-N 3.04Å; I1203-C1207 PolarHBondContact O-SG 2.97Å; I1203-L1212 HydrophobicContact CB-CD1 4.49Å; I1203-L1212 HydrophobicContact CG2-CD1 4.27Å; I1203-L1218 HydrophobicContact CD1-CD2 4.05Å; I1203-L1218 HydrophobicContact CG1-CD2 4.16Å; I1203-L1218 HydrophobicContact CG2-CD2 3.79Å; I1203-F1222 HydrophobicContact CD1-CE2 3.92Å; I1203-F1222 HydrophobicContact CD1-CZ 3.91Å |
| 1204 | E | 82 | Confident | 78.5 | Confident | 126 Ų | 126 | 83.5 Ų | 83.5 | 59% | 0.589 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -60.6 | -45.2 | 176.3 | -71.4 | 169.4 | -164.4 | 0 | 0 | 111.7 | R1200 S1201 R1202 Q1206 C1207 L1208 | R1200-E1204 WeakPolarHBondContact O-CG 3.31Å; R1200-E1204 PolarHBondContact O-N 3.02Å; S1201-E1204 PolarHBondContact O-N 3.01Å; R1202-E1204 VanDerWaalsContact C-N 3.34Å; E1204-Q1206 PolarHBondContact O-N 3.03Å; E1204-C1207 PolarHBondContact O-N 2.99Å; E1204-L1208 WeakPolarHBondContact O-CB 3.23Å; E1204-L1208 WeakPolarHBondContact O-CD1 3.38Å; E1204-L1208 VanDerWaalsContact O-CG 3.28Å; E1204-L1208 WeakPolarHBondContact O-CG 3.39Å; E1204-L1208 PolarHBondContact O-N 3.17Å |
| 1205 | E | 82.3 | Confident | 77.1 | Confident | 117.6 Ų | 117.6 | 86.9 Ų | 86.9 | 55% | 0.55 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.5 | -41.7 | 173.9 | -73.6 | 168.2 | -165.4 | 0 | 0 | 112.7 | S1201 R1202 I1203 L1208 A1209 | S1201-E1205 VanDerWaalsContact C-OE1 3.25Å; S1201-E1205 WeakPolarHBondContact CB-OE1 3.27Å; S1201-E1205 WeakPolarHBondContact O-CB 3.5Å; S1201-E1205 VanDerWaalsContact O-CD 3.3Å; S1201-E1205 WeakPolarHBondContact O-CG 3.36Å; S1201-E1205 PolarHBondContact O-N 3.12Å; S1201-E1205 PolarHBondContact OG-OE1 3.28Å; R1202-E1205 PolarHBondContact O-N 3.02Å; I1203-E1205 PolarHBondContact O-N 2.83Å; E1205-L1208 WeakPolarHBondContact O-CB 3.36Å; E1205-L1208 PolarHBondContact O-N 3.19Å; E1205-A1209 WeakPolarHBondContact O-CB 3.35Å; E1205-A1209 PolarHBondContact O-N 2.91Å |
| 1206 | Q | 75.6 | Confident | 75.6 | Confident | 102.4 Ų | 102.4 | 88.4 Ų | 88.4 | 48% | 0.479 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -74.3 | -34.5 | 179 | -77.6 | -172.4 | -21.2 | 0 | 0 | 113.4 | R1202 I1203 E1204 L1208 A1209 G1210 S1211 L1212 | R1202-Q1206 WeakPolarHBondContact O-CB 3.39Å; R1202-Q1206 WeakPolarHBondContact O-CG 3.39Å; R1202-Q1206 PolarHBondContact O-N 2.93Å; I1203-Q1206 PolarHBondContact O-N 2.96Å; E1204-Q1206 PolarHBondContact O-N 3.03Å; Q1206-L1208 VanDerWaalsContact C-N 3.31Å; Q1206-L1208 PolarHBondContact O-N 3.15Å; Q1206-A1209 CarbonylContact O-C 3.56Å; Q1206-A1209 PolarHBondContact O-N 3.12Å; Q1206-G1210 PolarHBondContact O-N 3.17Å; Q1206-S1211 PolarHBondContact O-N 3.16Å; Q1206-L1212 HydrophobicContact CB-CD1 3.64Å; Q1206-L1212 VanDerWaalsContact CB-CD1 3.41Å; Q1206-L1212 HydrophobicContact CB-CG 4.01Å; Q1206-L1212 HydrophobicContact CG-CD1 4.46Å |
| 1207 | C | 72.6 | Confident | 74.9 | Confident | 69.8 Ų | 69.8 | 91.4 Ų | 91.4 | 47% | 0.472 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 170.4 | -72.4 | 0 | 0 | 0 | 0 | 110.7 | I1203 E1204 A1209 G1210 L1212 | I1203-C1207 WeakPolarHBondContact O-CB 3.42Å; I1203-C1207 PolarHBondContact O-N 3.04Å; I1203-C1207 PolarHBondContact O-SG 2.97Å; E1204-C1207 PolarHBondContact O-N 2.99Å; C1207-A1209 VanDerWaalsContact C-N 3.32Å; C1207-A1209 PolarHBondContact O-N 2.96Å; C1207-G1210 PolarHBondContact O-N 3.18Å; C1207-L1212 HydrophobicContact CB-CD2 4.36Å; C1207-L1212 VanDerWaalsContact SG-CD2 3.53Å |
| 1208 | L | 71.4 | Confident | 74.1 | Confident | 155.2 Ų | 155.2 | 91.2 Ų | 91.2 | 81% | 0.813 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.9 | -34.4 | 173 | -77 | 161 | 0 | 0 | 0 | 112.6 | E1204 E1205 Q1206 G1210 | E1204-L1208 WeakPolarHBondContact O-CB 3.23Å; E1204-L1208 WeakPolarHBondContact O-CD1 3.38Å; E1204-L1208 VanDerWaalsContact O-CG 3.28Å; E1204-L1208 WeakPolarHBondContact O-CG 3.39Å; E1204-L1208 PolarHBondContact O-N 3.17Å; E1205-L1208 WeakPolarHBondContact O-CB 3.36Å; E1205-L1208 PolarHBondContact O-N 3.19Å; Q1206-L1208 VanDerWaalsContact C-N 3.31Å; Q1206-L1208 PolarHBondContact O-N 3.15Å; L1208-G1210 PolarHBondContact O-N 3.06Å |
| 1209 | A | 73.1 | Confident | 73.7 | Confident | 80 Ų | 80 | 92.1 Ų | 92.1 | 66% | 0.661 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -0.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | E1205 Q1206 C1207 S1211 | E1205-A1209 WeakPolarHBondContact O-CB 3.35Å; E1205-A1209 PolarHBondContact O-N 2.91Å; Q1206-A1209 CarbonylContact O-C 3.56Å; Q1206-A1209 PolarHBondContact O-N 3.12Å; C1207-A1209 VanDerWaalsContact C-N 3.32Å; C1207-A1209 PolarHBondContact O-N 2.96Å; A1209-S1211 VanDerWaalsContact C-N 3.31Å; A1209-S1211 PolarHBondContact O-N 3.06Å |
| 1210 | G | 66.8 | Low | 73.6 | Confident | 66.4 Ų | 66.4 | 95.3 Ų | 95.3 | 69% | 0.685 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.5 | 13 | 175 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q1206 C1207 L1208 L1212 | Q1206-G1210 PolarHBondContact O-N 3.17Å; C1207-G1210 PolarHBondContact O-N 3.18Å; L1208-G1210 PolarHBondContact O-N 3.06Å; G1210-L1212 PolarHBondContact O-N 3.47Å |
| 1211 | S | 62.2 | Low | 73.4 | Confident | 86.6 Ų | 86.6 | 92 Ų | 92 | 61% | 0.606 | 52% | 0.519 | S | S | * | . | trans | -103.3 | 46.3 | -177.3 | -169.2 | 0 | 0 | 0 | 0 | 112.4 | Q1206 A1209 T1213 | Q1206-S1211 PolarHBondContact O-N 3.16Å; A1209-S1211 VanDerWaalsContact C-N 3.31Å; A1209-S1211 PolarHBondContact O-N 3.06Å; S1211-T1213 PolarHBondContact O-N 2.91Å; S1211-T1213 VanDerWaalsContact O-N 3.13Å | ||
| 1212 | L | 58 | Low | 73.5 | Confident | 92.4 Ų | 92.4 | 92.8 Ų | 92.8 | 48% | 0.484 | 52% | 0.516 | S | S | . | . | trans | -102 | 107.7 | 176.7 | -87.4 | 162.9 | 0 | 0 | 0 | 110.9 | I1203 Q1206 C1207 G1210 L1218 | I1203-L1212 HydrophobicContact CB-CD1 4.49Å; I1203-L1212 HydrophobicContact CG2-CD1 4.27Å; Q1206-L1212 HydrophobicContact CB-CD1 3.64Å; Q1206-L1212 VanDerWaalsContact CB-CD1 3.41Å; Q1206-L1212 HydrophobicContact CB-CG 4.01Å; Q1206-L1212 HydrophobicContact CG-CD1 4.46Å; C1207-L1212 HydrophobicContact CB-CD2 4.36Å; C1207-L1212 VanDerWaalsContact SG-CD2 3.53Å; G1210-L1212 PolarHBondContact O-N 3.47Å; L1212-L1218 HydrophobicContact CD2-CD2 4.47Å | ||
| 1213 | T | 56.6 | Low | 73.7 | Confident | 102.6 Ų | 102.6 | 87.7 Ų | 87.7 | 63% | 0.629 | 51% | 0.508 | S | S | * | . | trans | -93.5 | 92.4 | 175 | -7.4 | 0 | 0 | 0 | 0 | 111.8 | S1211 D1217 L1218 L1221 | S1211-T1213 PolarHBondContact O-N 2.91Å; S1211-T1213 VanDerWaalsContact O-N 3.13Å; T1213-D1217 WeakPolarHBondContact CB-OD2 3.02Å; T1213-D1217 HydrophobicContact CG2-CB 3.67Å; T1213-L1218 HydrophobicContact CG2-CD2 3.88Å; T1213-L1218 HydrophobicContact CG2-CG 4.19Å; T1213-L1221 HydrophobicContact CG2-CD1 4.49Å | ||
| 1214 | A | 61.3 | Low | 74 | Confident | 47.4 Ų | 47.4 | 90.6 Ų | 90.6 | 39% | 0.392 | 53% | 0.529 | S | S | . | . | trans | -122.1 | 137.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | P1216 D1217 L1218 | A1214-P1216 VanDerWaalsContact C-CD 3.44Å; A1214-P1216 VanDerWaalsContact C-N 3.34Å; A1214-P1216 HydrophobicContact CB-CG 3.87Å; A1214-D1217 PolarHBondContact N-OD2 3.22Å; A1214-D1217 WeakPolarHBondContact O-CB 3.35Å; A1214-D1217 PolarHBondContact O-N 3.18Å; A1214-D1217 VanDerWaalsContact O-N 3.09Å; A1214-L1218 PolarHBondContact O-N 3.02Å; A1214-L1218 VanDerWaalsContact O-N 3.07Å | ||
| 1215 | Q | 62.1 | Low | 74.5 | Confident | 158.8 Ų | 158.8 | 86.3 Ų | 86.3 | 74% | 0.742 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -51.4 | -37.8 | 170.4 | -74.6 | -159.9 | -15.1 | 0 | 0 | 115.7 | D1217 L1218 N1219 | Q1215-D1217 VanDerWaalsContact C-N 3.3Å; Q1215-D1217 PolarHBondContact O-N 3.03Å; Q1215-L1218 WeakPolarHBondContact O-CB 3.46Å; Q1215-L1218 PolarHBondContact O-N 2.98Å; Q1215-L1218 VanDerWaalsContact O-N 3.14Å; Q1215-N1219 PolarHBondContact O-N 2.95Å; Q1215-N1219 VanDerWaalsContact O-N 3.14Å; Q1215-N1219 PolarHBondContact O-ND2 3.01Å |
| 1216 | P | 61.4 | Low | 74.8 | Confident | 83.2 Ų | 83.2 | 84.2 Ų | 84.2 | 54% | 0.54 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.4 | -36.8 | 174.2 | 18.2 | -32.3 | 0 | 0 | 0 | 113.5 | A1214 L1218 N1219 D1220 | A1214-P1216 VanDerWaalsContact C-CD 3.44Å; A1214-P1216 VanDerWaalsContact C-N 3.34Å; A1214-P1216 HydrophobicContact CB-CG 3.87Å; P1216-L1218 VanDerWaalsContact C-N 3.3Å; P1216-L1218 PolarHBondContact O-N 3.23Å; P1216-N1219 WeakPolarHBondContact O-CB 3.46Å; P1216-N1219 PolarHBondContact O-N 3.06Å; P1216-N1219 VanDerWaalsContact O-N 3.08Å; P1216-D1220 PolarHBondContact O-N 3.2Å; P1216-D1220 VanDerWaalsContact O-N 3.15Å |
| 1217 | D | 73.6 | Confident | 75.7 | Confident | 80.4 Ų | 80.4 | 86.9 Ų | 86.9 | 43% | 0.43 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.3 | -33.6 | 179.5 | -69.5 | -25.7 | 0 | 0 | 0 | 112.2 | T1213 A1214 Q1215 D1220 L1221 | T1213-D1217 WeakPolarHBondContact CB-OD2 3.02Å; T1213-D1217 HydrophobicContact CG2-CB 3.67Å; A1214-D1217 PolarHBondContact N-OD2 3.22Å; A1214-D1217 WeakPolarHBondContact O-CB 3.35Å; A1214-D1217 PolarHBondContact O-N 3.18Å; A1214-D1217 VanDerWaalsContact O-N 3.09Å; Q1215-D1217 VanDerWaalsContact C-N 3.3Å; Q1215-D1217 PolarHBondContact O-N 3.03Å; D1217-D1220 PolarHBondContact O-N 2.98Å; D1217-L1221 WeakPolarHBondContact O-CB 3.23Å; D1217-L1221 VanDerWaalsContact O-CG 3.28Å; D1217-L1221 WeakPolarHBondContact O-CG 3.36Å; D1217-L1221 PolarHBondContact O-N 3.24Å |
| 1218 | L | 76.8 | Confident | 76.5 | Confident | 45 Ų | 45 | 91.4 Ų | 91.4 | 24% | 0.236 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -65.7 | -43.7 | 177.7 | -66 | 178.1 | 0 | 0 | 0 | 111.8 | I1203 L1212 T1213 A1214 Q1215 P1216 D1220 L1221 F1222 | I1203-L1218 HydrophobicContact CD1-CD2 4.05Å; I1203-L1218 HydrophobicContact CG1-CD2 4.16Å; I1203-L1218 HydrophobicContact CG2-CD2 3.79Å; L1212-L1218 HydrophobicContact CD2-CD2 4.47Å; T1213-L1218 HydrophobicContact CG2-CD2 3.88Å; T1213-L1218 HydrophobicContact CG2-CG 4.19Å; A1214-L1218 PolarHBondContact O-N 3.02Å; A1214-L1218 VanDerWaalsContact O-N 3.07Å; Q1215-L1218 WeakPolarHBondContact O-CB 3.46Å; Q1215-L1218 PolarHBondContact O-N 2.98Å; Q1215-L1218 VanDerWaalsContact O-N 3.14Å; P1216-L1218 VanDerWaalsContact C-N 3.3Å; P1216-L1218 PolarHBondContact O-N 3.23Å; L1218-D1220 VanDerWaalsContact C-N 3.3Å; L1218-D1220 PolarHBondContact O-N 3.32Å; L1218-L1221 HydrophobicContact CD2-CD1 4.44Å; L1218-L1221 WeakPolarHBondContact O-CB 3.21Å; L1218-L1221 PolarHBondContact O-N 3.15Å; L1218-F1222 VanDerWaalsContact O-CD2 3.25Å; L1218-F1222 WeakPolarHBondContact O-CD2 3.36Å; L1218-F1222 PolarHBondContact O-N 3.12Å; L1218-F1222 VanDerWaalsContact O-N 3.09Å |
| 1219 | N | 81.3 | Confident | 77.5 | Confident | 113.2 Ų | 113.2 | 84.8 Ų | 84.8 | 61% | 0.605 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.8 | -40 | 177.3 | -72.6 | -26.3 | 0 | 0 | 0 | 111.2 | Q1215 P1216 F1222 A1223 | Q1215-N1219 PolarHBondContact O-N 2.95Å; Q1215-N1219 VanDerWaalsContact O-N 3.14Å; Q1215-N1219 PolarHBondContact O-ND2 3.01Å; P1216-N1219 WeakPolarHBondContact O-CB 3.46Å; P1216-N1219 PolarHBondContact O-N 3.06Å; P1216-N1219 VanDerWaalsContact O-N 3.08Å; N1219-F1222 PolarHBondContact O-N 3.2Å; N1219-A1223 VanDerWaalsContact O-CB 3.3Å; N1219-A1223 WeakPolarHBondContact O-CB 3.34Å; N1219-A1223 PolarHBondContact O-N 3.3Å |
| 1220 | D | 85.5 | Confident | 78.4 | Confident | 102.4 Ų | 102.4 | 83.8 Ų | 83.8 | 55% | 0.548 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.7 | -36.6 | 176.6 | -77.7 | -13.1 | 0 | 0 | 0 | 112.3 | P1216 D1217 L1218 A1223 C1224 | P1216-D1220 PolarHBondContact O-N 3.2Å; P1216-D1220 VanDerWaalsContact O-N 3.15Å; D1217-D1220 PolarHBondContact O-N 2.98Å; L1218-D1220 VanDerWaalsContact C-N 3.3Å; L1218-D1220 PolarHBondContact O-N 3.32Å; D1220-A1223 PolarHBondContact O-N 3.1Å; D1220-C1224 VanDerWaalsContact O-CB 3.27Å; D1220-C1224 WeakPolarHBondContact O-CB 3.38Å; D1220-C1224 PolarHBondContact O-N 3.16Å; D1220-C1224 PolarHBondContact O-SG 3.04Å; D1220-C1224 VanDerWaalsContact O-SG 3.39Å |
| 1221 | L | 84.6 | Confident | 79.7 | Confident | 70.8 Ų | 70.8 | 82.9 Ų | 82.9 | 37% | 0.371 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.7 | -46.1 | 172.9 | -75.7 | 169.9 | 0 | 0 | 0 | 111.9 | L1199 T1213 D1217 L1218 C1224 L1225 | L1199-L1221 HydrophobicContact CD2-CB 4.45Å; T1213-L1221 HydrophobicContact CG2-CD1 4.49Å; D1217-L1221 WeakPolarHBondContact O-CB 3.23Å; D1217-L1221 VanDerWaalsContact O-CG 3.28Å; D1217-L1221 WeakPolarHBondContact O-CG 3.36Å; D1217-L1221 PolarHBondContact O-N 3.24Å; L1218-L1221 HydrophobicContact CD2-CD1 4.44Å; L1218-L1221 WeakPolarHBondContact O-CB 3.21Å; L1218-L1221 PolarHBondContact O-N 3.15Å; L1221-C1224 PolarHBondContact O-N 3.06Å; L1221-L1225 WeakPolarHBondContact O-CB 3.41Å; L1221-L1225 PolarHBondContact O-N 3.1Å |
| 1222 | F | 88.3 | Confident | 81.1 | Confident | 71.6 Ų | 71.6 | 80.6 Ų | 80.6 | 31% | 0.314 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67 | -37.2 | 175.5 | -77.5 | -68.6 | 0 | 0 | 0 | 112.1 | L1199 R1200 I1203 L1218 N1219 L1225 S1226 | L1199-F1222 HydrophobicContact CD2-CD1 3.89Å; L1199-F1222 HydrophobicContact CD2-CE1 3.84Å; L1199-F1222 HydrophobicContact CD2-CG 4.31Å; L1199-F1222 HydrophobicContact CD2-CZ 4.29Å; L1199-F1222 HydrophobicContact CG-CE1 4.37Å; R1200-F1222 HydrophobicContact CG-CE1 4.32Å; R1200-F1222 HydrophobicContact CG-CZ 4.01Å; I1203-F1222 HydrophobicContact CD1-CE2 3.92Å; I1203-F1222 HydrophobicContact CD1-CZ 3.91Å; L1218-F1222 VanDerWaalsContact O-CD2 3.25Å; L1218-F1222 WeakPolarHBondContact O-CD2 3.36Å; L1218-F1222 PolarHBondContact O-N 3.12Å; L1218-F1222 VanDerWaalsContact O-N 3.09Å; N1219-F1222 PolarHBondContact O-N 3.2Å; F1222-L1225 PolarHBondContact O-N 3.28Å; F1222-S1226 WeakPolarHBondContact O-CB 3.36Å; F1222-S1226 PolarHBondContact O-N 3.07Å |
| 1223 | A | 89.1 | Confident | 82.7 | Confident | 49.8 Ų | 49.8 | 79.3 Ų | 79.3 | 41% | 0.412 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | N1219 D1220 L1225 S1226 K1227 | N1219-A1223 VanDerWaalsContact O-CB 3.3Å; N1219-A1223 WeakPolarHBondContact O-CB 3.34Å; N1219-A1223 PolarHBondContact O-N 3.3Å; D1220-A1223 PolarHBondContact O-N 3.1Å; A1223-L1225 PolarHBondContact O-N 3.23Å; A1223-S1226 PolarHBondContact O-N 3.1Å; A1223-S1226 PolarHBondContact O-OG 3.16Å; A1223-K1227 WeakPolarHBondContact O-CB 3.42Å; A1223-K1227 WeakPolarHBondContact O-CG 3.3Å; A1223-K1227 PolarHBondContact O-N 2.96Å |
| 1224 | C | 90.2 | Very high | 84.4 | Confident | 81.4 Ų | 81.4 | 78.7 Ų | 78.7 | 55% | 0.55 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.2 | -40.9 | 173.6 | -74.6 | 0 | 0 | 0 | 0 | 112.1 | D1220 L1221 S1226 K1227 R1228 | D1220-C1224 VanDerWaalsContact O-CB 3.27Å; D1220-C1224 WeakPolarHBondContact O-CB 3.38Å; D1220-C1224 PolarHBondContact O-N 3.16Å; D1220-C1224 PolarHBondContact O-SG 3.04Å; D1220-C1224 VanDerWaalsContact O-SG 3.39Å; L1221-C1224 PolarHBondContact O-N 3.06Å; C1224-S1226 VanDerWaalsContact C-N 3.33Å; C1224-S1226 PolarHBondContact O-N 3.48Å; C1224-K1227 PolarHBondContact O-N 3.12Å; C1224-R1228 VanDerWaalsContact O-CB 3.28Å; C1224-R1228 WeakPolarHBondContact O-CB 3.44Å; C1224-R1228 PolarHBondContact O-N 3.2Å |
| 1225 | L | 91.3 | Very high | 85.9 | Confident | 35.8 Ų | 35.8 | 81.4 Ų | 81.4 | 19% | 0.187 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 174.9 | -177.7 | 114.6 | 0 | 0 | 0 | 111.6 | R1195 A1196 L1199 L1221 F1222 A1223 R1228 S1229 | R1195-L1225 HydrophobicContact CB-CD1 4.23Å; A1196-L1225 HydrophobicContact CB-CD2 4.1Å; L1199-L1225 HydrophobicContact CB-CD1 3.8Å; L1199-L1225 HydrophobicContact CB-CD2 4.24Å; L1199-L1225 HydrophobicContact CD2-CB 4.15Å; L1199-L1225 HydrophobicContact CD2-CD1 3.56Å; L1199-L1225 HydrophobicContact CD2-CD2 3.7Å; L1199-L1225 HydrophobicContact CD2-CG 4.45Å; L1199-L1225 HydrophobicContact CG-CD1 4.25Å; L1221-L1225 WeakPolarHBondContact O-CB 3.41Å; L1221-L1225 PolarHBondContact O-N 3.1Å; F1222-L1225 PolarHBondContact O-N 3.28Å; A1223-L1225 PolarHBondContact O-N 3.23Å; L1225-R1228 PolarHBondContact O-N 3.04Å; L1225-S1229 VanDerWaalsContact O-CB 3.32Å; L1225-S1229 WeakPolarHBondContact O-CB 3.37Å; L1225-S1229 PolarHBondContact O-N 3.18Å; L1225-S1229 PolarHBondContact O-OG 3.34Å |
| 1226 | S | 89.7 | Confident | 87.2 | Confident | 73 Ų | 73 | 77.6 Ų | 77.6 | 51% | 0.51 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64 | -44.7 | 176.3 | 142.8 | 0 | 0 | 0 | 0 | 111.7 | F1222 A1223 C1224 R1228 S1229 S1230 | F1222-S1226 WeakPolarHBondContact O-CB 3.36Å; F1222-S1226 PolarHBondContact O-N 3.07Å; A1223-S1226 PolarHBondContact O-N 3.1Å; A1223-S1226 PolarHBondContact O-OG 3.16Å; C1224-S1226 VanDerWaalsContact C-N 3.33Å; C1224-S1226 PolarHBondContact O-N 3.48Å; S1226-R1228 VanDerWaalsContact C-N 3.32Å; S1226-R1228 PolarHBondContact O-N 3.01Å; S1226-S1229 PolarHBondContact O-N 2.86Å; S1226-S1230 WeakPolarHBondContact O-CB 3.43Å; S1226-S1230 PolarHBondContact O-N 3.16Å; S1226-S1230 PolarHBondContact O-OG 3.15Å |
| 1227 | K | 92.7 | Very high | 88.5 | Confident | 159.2 Ų | 159.2 | 74.8 Ų | 74.8 | 69% | 0.692 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -61.8 | -40.3 | 173.9 | -156.2 | 176.2 | -177.8 | 176.8 | 0 | 111.7 | A1223 C1224 S1229 S1230 S1231 | A1223-K1227 WeakPolarHBondContact O-CB 3.42Å; A1223-K1227 WeakPolarHBondContact O-CG 3.3Å; A1223-K1227 PolarHBondContact O-N 2.96Å; C1224-K1227 PolarHBondContact O-N 3.12Å; K1227-S1229 VanDerWaalsContact C-N 3.35Å; K1227-S1229 PolarHBondContact O-N 3.3Å; K1227-S1230 WeakPolarHBondContact CA-OG 3.35Å; K1227-S1230 PolarHBondContact O-N 3.33Å; K1227-S1230 PolarHBondContact O-OG 2.92Å; K1227-S1230 VanDerWaalsContact O-OG 3.07Å; K1227-S1231 WeakPolarHBondContact O-CB 3.43Å; K1227-S1231 PolarHBondContact O-N 2.99Å; K1227-S1231 VanDerWaalsContact O-N 3.09Å |
| 1228 | R | 90.9 | Very high | 89.2 | Confident | 165.2 Ų | 165.2 | 76 Ų | 76 | 62% | 0.623 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -67.4 | -44.4 | 177 | -171.7 | 73.4 | 175 | 176.3 | -2.2 | 111.4 | C1224 L1225 S1226 S1230 S1231 I1232 | C1224-R1228 VanDerWaalsContact O-CB 3.28Å; C1224-R1228 WeakPolarHBondContact O-CB 3.44Å; C1224-R1228 PolarHBondContact O-N 3.2Å; L1225-R1228 PolarHBondContact O-N 3.04Å; S1226-R1228 VanDerWaalsContact C-N 3.32Å; S1226-R1228 PolarHBondContact O-N 3.01Å; R1228-S1230 VanDerWaalsContact C-N 3.34Å; R1228-S1230 PolarHBondContact O-N 2.99Å; R1228-S1231 WeakPolarHBondContact CA-OG 3.43Å; R1228-S1231 WeakPolarHBondContact O-CB 3.4Å; R1228-S1231 PolarHBondContact O-N 3.17Å; R1228-S1231 VanDerWaalsContact O-N 3.16Å; R1228-S1231 PolarHBondContact O-OG 3.32Å; R1228-I1232 HydrophobicContact CG-CD1 4.03Å; R1228-I1232 VanDerWaalsContact O-CG1 3.27Å; R1228-I1232 WeakPolarHBondContact O-CG1 3.32Å; R1228-I1232 PolarHBondContact O-N 3.29Å |
| 1229 | S | 91.9 | Very high | 89.7 | Confident | 15 Ų | 15 | 80.6 Ų | 80.6 | 11% | 0.105 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -63 | -42.9 | 177.7 | -60.4 | 0 | 0 | 0 | 0 | 111.5 | R1195 L1225 S1226 K1227 S1231 I1232 Y1233 | R1195-S1229 PolarHBondContact NE-OG 3.4Å; R1195-S1229 VanDerWaalsContact NH1-CA 3.31Å; R1195-S1229 PolarHBondContact NH1-OG 2.99Å; L1225-S1229 VanDerWaalsContact O-CB 3.32Å; L1225-S1229 WeakPolarHBondContact O-CB 3.37Å; L1225-S1229 PolarHBondContact O-N 3.18Å; L1225-S1229 PolarHBondContact O-OG 3.34Å; S1226-S1229 PolarHBondContact O-N 2.86Å; K1227-S1229 VanDerWaalsContact C-N 3.35Å; K1227-S1229 PolarHBondContact O-N 3.3Å; S1229-S1231 VanDerWaalsContact C-N 3.34Å; S1229-S1231 PolarHBondContact O-N 3.15Å; S1229-I1232 WeakPolarHBondContact O-CB 3.35Å; S1229-I1232 PolarHBondContact O-N 3.09Å; S1229-Y1233 WeakPolarHBondContact O-CB 3.19Å; S1229-Y1233 PolarHBondContact O-N 3.17Å |
| 1230 | S | 91.7 | Very high | 89.9 | Confident | 60 Ų | 60 | 78.2 Ų | 78.2 | 42% | 0.42 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.3 | -41.6 | 172.8 | 17.5 | 0 | 0 | 0 | 0 | 112.4 | S1226 K1227 R1228 I1232 Y1233 I1234 | S1226-S1230 WeakPolarHBondContact O-CB 3.43Å; S1226-S1230 PolarHBondContact O-N 3.16Å; S1226-S1230 PolarHBondContact O-OG 3.15Å; K1227-S1230 WeakPolarHBondContact CA-OG 3.35Å; K1227-S1230 PolarHBondContact O-N 3.33Å; K1227-S1230 PolarHBondContact O-OG 2.92Å; K1227-S1230 VanDerWaalsContact O-OG 3.07Å; R1228-S1230 VanDerWaalsContact C-N 3.34Å; R1228-S1230 PolarHBondContact O-N 2.99Å; S1230-I1232 VanDerWaalsContact C-N 3.3Å; S1230-I1232 PolarHBondContact O-N 2.77Å; S1230-Y1233 WeakPolarHBondContact O-CB 3.4Å; S1230-Y1233 PolarHBondContact O-N 3.33Å; S1230-I1234 VanDerWaalsContact O-CG1 3.29Å; S1230-I1234 WeakPolarHBondContact O-CG1 3.32Å; S1230-I1234 PolarHBondContact O-N 3.15Å |
| 1231 | S | 94 | Very high | 89.7 | Confident | 46.6 Ų | 46.6 | 77.3 Ų | 77.3 | 33% | 0.326 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.6 | -39.7 | 174.9 | 147 | 0 | 0 | 0 | 0 | 112.6 | K1227 R1228 S1229 I1234 Q1235 | K1227-S1231 WeakPolarHBondContact O-CB 3.43Å; K1227-S1231 PolarHBondContact O-N 2.99Å; K1227-S1231 VanDerWaalsContact O-N 3.09Å; R1228-S1231 WeakPolarHBondContact CA-OG 3.43Å; R1228-S1231 WeakPolarHBondContact O-CB 3.4Å; R1228-S1231 PolarHBondContact O-N 3.17Å; R1228-S1231 VanDerWaalsContact O-N 3.16Å; R1228-S1231 PolarHBondContact O-OG 3.32Å; S1229-S1231 VanDerWaalsContact C-N 3.34Å; S1229-S1231 PolarHBondContact O-N 3.15Å; S1231-I1234 PolarHBondContact O-N 3.02Å; S1231-Q1235 WeakPolarHBondContact O-CB 3.35Å; S1231-Q1235 VanDerWaalsContact O-CG 3.31Å; S1231-Q1235 WeakPolarHBondContact O-CG 3.36Å; S1231-Q1235 PolarHBondContact O-N 3.16Å |
| 1232 | I | 92.3 | Very high | 89.5 | Confident | 39.2 Ų | 39.2 | 81.9 Ų | 81.9 | 20% | 0.201 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.2 | -47.3 | 176 | -69.8 | 164.4 | 0 | 0 | 0 | 110.1 | E1188 R1228 S1229 S1230 I1234 Q1235 R1236 | E1188-I1232 WeakPolarHBondContact OE1-CG2 3.45Å; R1228-I1232 HydrophobicContact CG-CD1 4.03Å; R1228-I1232 VanDerWaalsContact O-CG1 3.27Å; R1228-I1232 WeakPolarHBondContact O-CG1 3.32Å; R1228-I1232 PolarHBondContact O-N 3.29Å; S1229-I1232 WeakPolarHBondContact O-CB 3.35Å; S1229-I1232 PolarHBondContact O-N 3.09Å; S1230-I1232 VanDerWaalsContact C-N 3.3Å; S1230-I1232 PolarHBondContact O-N 2.77Å; I1232-I1234 VanDerWaalsContact C-N 3.34Å; I1232-I1234 PolarHBondContact O-N 3.03Å; I1232-Q1235 WeakPolarHBondContact O-CB 3.35Å; I1232-Q1235 PolarHBondContact O-N 3.11Å; I1232-Q1235 VanDerWaalsContact O-N 3.11Å; I1232-R1236 HydrophobicContact CG2-CG 4.19Å; I1232-R1236 WeakPolarHBondContact O-CB 3.33Å; I1232-R1236 VanDerWaalsContact O-CG 3.32Å; I1232-R1236 WeakPolarHBondContact O-CG 3.37Å; I1232-R1236 PolarHBondContact O-N 3.18Å |
| 1233 | Y | 92.4 | Very high | 88.4 | Confident | 64.2 Ų | 64.2 | 81.5 Ų | 81.5 | 25% | 0.252 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -56 | -47.6 | 175.8 | 176.7 | -104.8 | 0 | 0 | 0 | 111.9 | N1181 L1184 M1185 E1188 S1229 S1230 Q1235 R1236 S1237 | N1181-Y1233 PolarHBondContact O-OH 3.28Å; N1181-Y1233 VanDerWaalsContact O-OH 3.1Å; L1184-Y1233 HydrophobicContact CB-CE2 4.41Å; L1184-Y1233 HydrophobicContact CD2-CD2 4.19Å; L1184-Y1233 HydrophobicContact CD2-CE2 3.82Å; L1184-Y1233 HydrophobicContact CG-CD2 4.13Å; L1184-Y1233 HydrophobicContact CG-CE2 3.81Å; M1185-Y1233 HydrophobicContact CB-CE2 4Å; M1185-Y1233 HydrophobicContact CG-CE2 4.05Å; E1188-Y1233 HydrophobicContact CB-CD2 4.14Å; E1188-Y1233 HydrophobicContact CG-CD2 3.98Å; E1188-Y1233 HydrophobicContact CG-CG 4.44Å; S1229-Y1233 WeakPolarHBondContact O-CB 3.19Å; S1229-Y1233 PolarHBondContact O-N 3.17Å; S1230-Y1233 WeakPolarHBondContact O-CB 3.4Å; S1230-Y1233 PolarHBondContact O-N 3.33Å; Y1233-Q1235 VanDerWaalsContact C-N 3.33Å; Y1233-Q1235 PolarHBondContact O-N 3.04Å; Y1233-R1236 PolarHBondContact O-N 3.29Å; Y1233-S1237 VanDerWaalsContact O-CB 3.31Å; Y1233-S1237 WeakPolarHBondContact O-CB 3.42Å; Y1233-S1237 PolarHBondContact O-N 3.16Å; Y1233-S1237 PolarHBondContact O-OG 3.14Å |
| 1234 | I | 91.6 | Very high | 87 | Confident | 91 Ų | 91 | 85.5 Ų | 85.5 | 47% | 0.467 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 177.2 | -67.3 | 165.4 | 0 | 0 | 0 | 110.6 | S1230 S1231 I1232 R1236 S1237 Q1238 | S1230-I1234 VanDerWaalsContact O-CG1 3.29Å; S1230-I1234 WeakPolarHBondContact O-CG1 3.32Å; S1230-I1234 PolarHBondContact O-N 3.15Å; S1231-I1234 PolarHBondContact O-N 3.02Å; I1232-I1234 VanDerWaalsContact C-N 3.34Å; I1232-I1234 PolarHBondContact O-N 3.03Å; I1234-R1236 PolarHBondContact O-N 2.92Å; I1234-S1237 WeakPolarHBondContact CA-OG 3.44Å; I1234-S1237 PolarHBondContact O-N 2.99Å; I1234-S1237 PolarHBondContact O-OG 3.24Å; I1234-Q1238 HydrophobicContact CG2-CG 4.46Å; I1234-Q1238 WeakPolarHBondContact O-CB 3.34Å; I1234-Q1238 VanDerWaalsContact O-CG 3.3Å; I1234-Q1238 WeakPolarHBondContact O-CG 3.35Å; I1234-Q1238 PolarHBondContact O-N 3.1Å |
| 1235 | Q | 91.7 | Very high | 85.8 | Confident | 102.8 Ų | 102.8 | 87.6 Ų | 87.6 | 48% | 0.48 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 177.8 | -106.1 | -177.3 | 22 | 0 | 0 | 112.2 | S1231 I1232 Y1233 Q1238 K1239 | S1231-Q1235 WeakPolarHBondContact O-CB 3.35Å; S1231-Q1235 VanDerWaalsContact O-CG 3.31Å; S1231-Q1235 WeakPolarHBondContact O-CG 3.36Å; S1231-Q1235 PolarHBondContact O-N 3.16Å; I1232-Q1235 WeakPolarHBondContact O-CB 3.35Å; I1232-Q1235 PolarHBondContact O-N 3.11Å; I1232-Q1235 VanDerWaalsContact O-N 3.11Å; Y1233-Q1235 VanDerWaalsContact C-N 3.33Å; Y1233-Q1235 PolarHBondContact O-N 3.04Å; Q1235-Q1238 PolarHBondContact O-N 3.04Å; Q1235-K1239 HydrophobicContact CG-CD 4.4Å; Q1235-K1239 VanDerWaalsContact O-CB 3.28Å; Q1235-K1239 WeakPolarHBondContact O-CB 3.36Å; Q1235-K1239 VanDerWaalsContact O-CG 3.27Å; Q1235-K1239 WeakPolarHBondContact O-CG 3.32Å; Q1235-K1239 PolarHBondContact O-N 3.11Å |
| 1236 | R | 90.6 | Very high | 84.4 | Confident | 79.6 Ų | 79.6 | 88.3 Ų | 88.3 | 30% | 0.3 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.1 | -43.4 | 177.1 | -72.2 | 179.7 | 114.5 | -175.3 | -3.5 | 111.4 | L1184 D1187 E1188 E1191 I1232 Y1233 I1234 Q1238 K1239 L1240 | L1184-R1236 HydrophobicContact CD1-CB 3.97Å; L1184-R1236 HydrophobicContact CD2-CB 4.23Å; D1187-R1236 IonicContact OD2-CZ 3.63Å; D1187-R1236 VanDerWaalsContact OD2-CZ 3.26Å; D1187-R1236 IonicContact OD2-NH1 3.17Å; D1187-R1236 PolarHBondContact OD2-NH1 3.16Å; D1187-R1236 IonicContact OD2-NH2 3.69Å; D1187-R1236 PolarHBondContact OD2-NH2 3.15Å; E1188-R1236 WeakPolarHBondContact OE1-CD 3.42Å; E1188-R1236 IonicContact OE1-CZ 2.77Å; E1188-R1236 IonicContact OE1-NE 3.25Å; E1188-R1236 PolarHBondContact OE1-NE 3.12Å; E1188-R1236 IonicContact OE1-NH1 3.98Å; E1188-R1236 PolarHBondContact OE1-NH1 3.31Å; E1188-R1236 WeakPolarHBondContact OE2-CD 3.38Å; E1188-R1236 IonicContact OE2-CZ 3.19Å; E1188-R1236 IonicContact OE2-NE 3.17Å; E1188-R1236 IonicContact OE2-NH1 3.23Å; E1188-R1236 PolarHBondContact OE2-NH1 3.15Å; E1191-R1236 IonicContact OE2-NH2 2.69Å; E1191-R1236 PolarHBondContact OE2-NH2 3.04Å; I1232-R1236 HydrophobicContact CG2-CG 4.19Å; I1232-R1236 WeakPolarHBondContact O-CB 3.33Å; I1232-R1236 VanDerWaalsContact O-CG 3.32Å; I1232-R1236 WeakPolarHBondContact O-CG 3.37Å; I1232-R1236 PolarHBondContact O-N 3.18Å; Y1233-R1236 PolarHBondContact O-N 3.29Å; I1234-R1236 PolarHBondContact O-N 2.92Å; R1236-Q1238 VanDerWaalsContact C-N 3.35Å; R1236-Q1238 PolarHBondContact O-N 2.95Å; R1236-K1239 PolarHBondContact O-N 3.14Å; R1236-L1240 WeakPolarHBondContact O-CB 3.39Å; R1236-L1240 PolarHBondContact O-N 3.05Å |
| 1237 | S | 88.4 | Confident | 83.4 | Confident | 24.2 Ų | 24.2 | 89.3 Ų | 89.3 | 17% | 0.169 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 176.2 | 142.5 | 0 | 0 | 0 | 0 | 111.8 | Y1233 I1234 K1239 L1240 Y1241 | Y1233-S1237 VanDerWaalsContact O-CB 3.31Å; Y1233-S1237 WeakPolarHBondContact O-CB 3.42Å; Y1233-S1237 PolarHBondContact O-N 3.16Å; Y1233-S1237 PolarHBondContact O-OG 3.14Å; I1234-S1237 WeakPolarHBondContact CA-OG 3.44Å; I1234-S1237 PolarHBondContact O-N 2.99Å; I1234-S1237 PolarHBondContact O-OG 3.24Å; S1237-K1239 VanDerWaalsContact C-N 3.34Å; S1237-K1239 PolarHBondContact O-N 2.96Å; S1237-L1240 WeakPolarHBondContact O-CB 3.36Å; S1237-L1240 PolarHBondContact O-N 2.97Å; S1237-Y1241 VanDerWaalsContact O-CD2 3.25Å; S1237-Y1241 WeakPolarHBondContact O-CD2 3.33Å; S1237-Y1241 PolarHBondContact O-N 3.05Å |
| 1238 | Q | 88.8 | Confident | 82.5 | Confident | 105.8 Ų | 105.8 | 84.6 Ų | 84.6 | 49% | 0.494 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.9 | -36.9 | 174.6 | -72.2 | -179.7 | 7.7 | 0 | 0 | 112.7 | I1234 Q1235 R1236 Y1241 K1242 | I1234-Q1238 HydrophobicContact CG2-CG 4.46Å; I1234-Q1238 WeakPolarHBondContact O-CB 3.34Å; I1234-Q1238 VanDerWaalsContact O-CG 3.3Å; I1234-Q1238 WeakPolarHBondContact O-CG 3.35Å; I1234-Q1238 PolarHBondContact O-N 3.1Å; Q1235-Q1238 PolarHBondContact O-N 3.04Å; R1236-Q1238 VanDerWaalsContact C-N 3.35Å; R1236-Q1238 PolarHBondContact O-N 2.95Å; Q1238-Y1241 PolarHBondContact O-N 2.75Å; Q1238-K1242 WeakPolarHBondContact O-CB 3.22Å; Q1238-K1242 WeakPolarHBondContact O-CD 3.44Å; Q1238-K1242 VanDerWaalsContact O-CG 3.27Å; Q1238-K1242 WeakPolarHBondContact O-CG 3.38Å; Q1238-K1242 PolarHBondContact O-N 3.19Å; Q1238-K1242 VanDerWaalsContact O-N 3.1Å |
| 1239 | K | 87.6 | Confident | 82.2 | Confident | 141.4 Ų | 141.4 | 77.5 Ų | 77.5 | 62% | 0.615 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -67.3 | -39.8 | 175.9 | -93.2 | 175.7 | 178.6 | 179.2 | 0 | 111.9 | Q1235 R1236 S1237 Y1241 K1242 G1243 | Q1235-K1239 HydrophobicContact CG-CD 4.4Å; Q1235-K1239 VanDerWaalsContact O-CB 3.28Å; Q1235-K1239 WeakPolarHBondContact O-CB 3.36Å; Q1235-K1239 VanDerWaalsContact O-CG 3.27Å; Q1235-K1239 WeakPolarHBondContact O-CG 3.32Å; Q1235-K1239 PolarHBondContact O-N 3.11Å; R1236-K1239 PolarHBondContact O-N 3.14Å; S1237-K1239 VanDerWaalsContact C-N 3.34Å; S1237-K1239 PolarHBondContact O-N 2.96Å; K1239-Y1241 VanDerWaalsContact C-N 3.29Å; K1239-Y1241 PolarHBondContact O-N 3.02Å; K1239-K1242 PolarHBondContact O-N 3.3Å; K1239-G1243 PolarHBondContact O-N 3.03Å |
| 1240 | L | 84.4 | Confident | 82.2 | Confident | 63.4 Ų | 63.4 | 76.7 Ų | 76.7 | 33% | 0.332 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -54 | -44.9 | 179.7 | -172.6 | 84.6 | 0 | 0 | 0 | 111.5 | D1180 L1184 R1236 S1237 K1242 | D1180-L1240 HydrophobicContact CB-CD2 4.11Å; L1184-L1240 HydrophobicContact CD2-CD2 4.44Å; R1236-L1240 WeakPolarHBondContact O-CB 3.39Å; R1236-L1240 PolarHBondContact O-N 3.05Å; S1237-L1240 WeakPolarHBondContact O-CB 3.36Å; S1237-L1240 PolarHBondContact O-N 2.97Å; L1240-K1242 VanDerWaalsContact C-N 3.34Å; L1240-K1242 PolarHBondContact O-N 3.45Å |
| 1241 | Y | 81.4 | Confident | 82.3 | Confident | 83.2 Ų | 83.2 | 75.8 Ų | 75.8 | 33% | 0.326 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -86.8 | -5 | -179.6 | -60.9 | -63.8 | 0 | 0 | 0 | 115 | K1177 N1181 S1237 Q1238 K1239 | K1177-Y1241 HydrophobicContact CD-CE1 4.46Å; K1177-Y1241 HydrophobicContact CG-CE1 3.87Å; K1177-Y1241 PolarHBondContact O-OH 2.83Å; N1181-Y1241 PolarHBondContact OD1-OH 3.37Å; S1237-Y1241 VanDerWaalsContact O-CD2 3.25Å; S1237-Y1241 WeakPolarHBondContact O-CD2 3.33Å; S1237-Y1241 PolarHBondContact O-N 3.05Å; Q1238-Y1241 PolarHBondContact O-N 2.75Å; K1239-Y1241 VanDerWaalsContact C-N 3.29Å; K1239-Y1241 PolarHBondContact O-N 3.02Å |
| 1242 | K | 80.6 | Confident | 82.3 | Confident | 167.2 Ų | 167.2 | 78.2 Ų | 78.2 | 73% | 0.727 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -92.8 | -3.7 | 176.5 | -79.6 | 176.8 | -179.9 | 178.6 | 0 | 113 | Q1238 K1239 L1240 | Q1238-K1242 WeakPolarHBondContact O-CB 3.22Å; Q1238-K1242 WeakPolarHBondContact O-CD 3.44Å; Q1238-K1242 VanDerWaalsContact O-CG 3.27Å; Q1238-K1242 WeakPolarHBondContact O-CG 3.38Å; Q1238-K1242 PolarHBondContact O-N 3.19Å; Q1238-K1242 VanDerWaalsContact O-N 3.1Å; K1239-K1242 PolarHBondContact O-N 3.3Å; L1240-K1242 VanDerWaalsContact C-N 3.34Å; L1240-K1242 PolarHBondContact O-N 3.45Å |
| 1243 | G | 65.8 | Low | 82.3 | Confident | 64 Ų | 64 | 77.2 Ų | 77.2 | 66% | 0.66 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -129.6 | -22.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | K1239 | K1239-G1243 PolarHBondContact O-N 3.03Å |
| 1244 | L | 60.2 | Low | 82.3 | Confident | 133.4 Ų | 133.4 | 75.1 Ų | 75.1 | 70% | 0.698 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -128.1 | 142.3 | -180 | -73.1 | 100.4 | 0 | 0 | 0 | 111.7 | S1246 | L1244-S1246 PolarHBondContact O-N 2.88Š|
| 1245 | P | 62.9 | Low | 82.4 | Confident | 126.2 Ų | 126.2 | 72.4 Ų | 72.4 | 82% | 0.819 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 124.1 | 165.1 | 26.6 | -31.1 | 0 | 0 | 0 | 108.9 | R1247 | P1245-R1247 PolarHBondContact O-N 2.85Š|
| 1246 | S | 63.4 | Low | 82.3 | Confident | 49 Ų | 49 | 71.4 Ų | 71.4 | 34% | 0.343 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 142.4 | 175.6 | 39.8 | 0 | 0 | 0 | 0 | 110.5 | L1244 T1248 | L1244-S1246 PolarHBondContact O-N 2.88Å; S1246-T1248 WeakPolarHBondContact O-CG2 3.36Å; S1246-T1248 PolarHBondContact O-N 2.92Å; S1246-T1248 VanDerWaalsContact O-N 3.14Å |
| 1247 | R | 68.6 | Low | 82.1 | Confident | 94.2 Ų | 94.2 | 68.4 Ų | 68.4 | 36% | 0.355 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 119.4 | 177 | 174.5 | -178.2 | 159.8 | -157 | -10.7 | 110.1 | D1171 V1176 P1245 S1249 Q1311 R1313 D1314 | D1171-R1247 IonicContact OD2-NH2 3.89Å; V1176-R1247 WeakPolarHBondContact CG1-O 3.12Å; V1176-R1247 VanDerWaalsContact CG2-O 3.24Å; V1176-R1247 WeakPolarHBondContact CG2-O 3.28Å; P1245-R1247 PolarHBondContact O-N 2.85Å; R1247-S1249 PolarHBondContact NE-O 2.93Å; R1247-S1249 PolarHBondContact NH2-O 2.99Å; R1247-Q1311 VanDerWaalsContact NH2-OE1 3.07Å; R1247-R1313 VanDerWaalsContact NH2-CG 3.26Å; R1247-R1313 PolarHBondContact NH2-O 3.39Å; R1247-D1314 VanDerWaalsContact CZ-CB 3.4Å; R1247-D1314 VanDerWaalsContact CZ-CG 3.47Å; R1247-D1314 VanDerWaalsContact CZ-N 3.31Å; R1247-D1314 IonicContact CZ-OD1 3Å; R1247-D1314 VanDerWaalsContact NH1-CB 3.27Å; R1247-D1314 IonicContact NH1-OD1 3.67Å; R1247-D1314 PolarHBondContact NH1-OD1 3.04Å; R1247-D1314 IonicContact NH1-OD2 3.82Å; R1247-D1314 PolarHBondContact NH1-OD2 3.39Å; R1247-D1314 IonicContact NH2-OD1 3.25Å; R1247-D1314 PolarHBondContact NH2-OD1 2.79Å |
| 1248 | T | 73.3 | Confident | 82.2 | Confident | 60.4 Ų | 60.4 | 68.6 Ų | 68.6 | 37% | 0.371 | 36% | 0.356 | S | S | . | . | trans | -101.8 | -8.9 | -177.9 | 53.3 | 0 | 0 | 0 | 0 | 114.4 | E1168 C1170 D1171 S1246 L1250 | E1168-T1248 PolarHBondContact OE1-OG1 3.31Å; C1170-T1248 CarbonylContact C-O 3.53Å; C1170-T1248 VanDerWaalsContact CA-O 3.29Å; C1170-T1248 WeakPolarHBondContact CA-O 3.31Å; C1170-T1248 PolarHBondContact SG-OG1 2.67Å; C1170-T1248 VanDerWaalsContact SG-OG1 3.37Å; D1171-T1248 WeakPolarHBondContact CB-O 3.49Å; D1171-T1248 PolarHBondContact N-O 3.17Å; S1246-T1248 WeakPolarHBondContact O-CG2 3.36Å; S1246-T1248 PolarHBondContact O-N 2.92Å; S1246-T1248 VanDerWaalsContact O-N 3.14Å; T1248-L1250 PolarHBondContact O-N 3.01Å; T1248-L1250 VanDerWaalsContact O-N 3.15Å | ||
| 1249 | S | 85.8 | Confident | 82.3 | Confident | 15.8 Ų | 15.8 | 64.9 Ų | 64.9 | 11% | 0.11 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 116.8 | -169.3 | -175.5 | 0 | 0 | 0 | 0 | 114.3 | E1168 R1247 F1251 R1252 R1313 | E1168-S1249 WeakPolarHBondContact CG-OG 3.15Å; E1168-S1249 VanDerWaalsContact OE1-CA 3.25Å; E1168-S1249 WeakPolarHBondContact OE1-CA 3.41Å; E1168-S1249 WeakPolarHBondContact OE1-CB 3.39Å; E1168-S1249 PolarHBondContact OE1-N 2.82Å; E1168-S1249 PolarHBondContact OE1-OG 3.05Å; R1247-S1249 PolarHBondContact NE-O 2.93Å; R1247-S1249 PolarHBondContact NH2-O 2.99Å; S1249-F1251 VanDerWaalsContact OG-C 3.24Å; S1249-F1251 PolarHBondContact OG-O 2.67Å; S1249-R1252 WeakPolarHBondContact OG-CB 3.27Å; S1249-R1252 PolarHBondContact OG-N 3.13Å; S1249-R1313 WeakPolarHBondContact O-CA 3.33Å |
| 1250 | L | 91.8 | Very high | 82.6 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | -44.9 | 162.7 | 173.9 | 64 | 0 | 0 | 0 | 110.3 | I1169 D1171 T1248 M1312 R1313 M1433 I1434 C1437 | I1169-L1250 HydrophobicContact CG2-CD2 4.34Å; I1169-L1250 WeakPolarHBondContact O-CB 3.4Å; I1169-L1250 PolarHBondContact O-N 3.08Å; D1171-L1250 HydrophobicContact CB-CB 3.74Å; D1171-L1250 VanDerWaalsContact OD2-CD1 3.24Å; D1171-L1250 WeakPolarHBondContact OD2-CD1 3.49Å; T1248-L1250 PolarHBondContact O-N 3.01Å; T1248-L1250 VanDerWaalsContact O-N 3.15Å; L1250-M1312 WeakPolarHBondContact O-CA 3.22Å; L1250-R1313 HydrophobicContact CD1-CG 4.02Å; L1250-R1313 PolarHBondContact O-N 3.13Å; L1250-M1433 HydrophobicContact CD1-CB 4.4Å; L1250-M1433 HydrophobicContact CD1-CE 4.49Å; L1250-M1433 HydrophobicContact CD1-CG 4.24Å; L1250-M1433 HydrophobicContact CD1-SD 4.21Å; L1250-M1433 HydrophobicContact CD2-CB 4.36Å; L1250-M1433 HydrophobicContact CD2-CG 3.87Å; L1250-I1434 HydrophobicContact CD1-CG1 4.3Å; L1250-I1434 HydrophobicContact CD2-CG1 3.85Å; L1250-I1434 HydrophobicContact CG-CG1 3.75Å; L1250-C1437 HydrophobicContact CD2-CB 4.46Å |
| 1251 | F | 93.2 | Very high | 83 | Confident | 40.2 Ų | 40.2 | 57.6 Ų | 57.6 | 18% | 0.176 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 130.7 | 177.8 | 177.7 | -103.7 | 0 | 0 | 0 | 109.9 | E1168 I1169 S1249 C1253 A1310 Q1311 M1312 Y1319 I1434 | E1168-F1251 CarbonylContact C-O 3.38Å; E1168-F1251 WeakPolarHBondContact CA-O 3.34Å; I1169-F1251 HydrophobicContact CD1-CD1 4.42Å; I1169-F1251 PolarHBondContact N-O 3.07Å; I1169-F1251 PolarHBondContact O-N 2.92Å; S1249-F1251 VanDerWaalsContact OG-C 3.24Å; S1249-F1251 PolarHBondContact OG-O 2.67Å; F1251-C1253 HydrophobicContact CE1-CB 3.92Å; F1251-C1253 HydrophobicContact CZ-CB 4.11Å; F1251-A1310 HydrophobicContact CE2-CB 4.17Å; F1251-A1310 HydrophobicContact CZ-CB 4.16Å; F1251-Q1311 WeakPolarHBondContact CA-O 3.37Å; F1251-Q1311 WeakPolarHBondContact CD2-O 3.22Å; F1251-M1312 HydrophobicContact CD2-CG 3.89Å; F1251-M1312 HydrophobicContact CE2-CE 4.41Å; F1251-M1312 HydrophobicContact CE2-CG 4.38Å; F1251-Y1319 HydrophobicContact CE2-CD1 4.48Å; F1251-I1434 HydrophobicContact CB-CD1 3.83Å; F1251-I1434 HydrophobicContact CB-CG1 3.98Å; F1251-I1434 HydrophobicContact CB-CG2 4.46Å; F1251-I1434 HydrophobicContact CD2-CD1 4.04Å; F1251-I1434 HydrophobicContact CG-CD1 4.18Å |
| 1252 | R | 93 | Very high | 83.6 | Confident | 98 Ų | 98 | 54.6 Ų | 54.6 | 37% | 0.37 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 129.6 | 176 | -176.5 | 173.4 | 176.1 | 164.5 | -2.6 | 109.7 | I1167 E1168 S1249 A1310 Q1311 | I1167-R1252 CarbonylContact O-C 3.53Å; I1167-R1252 WeakPolarHBondContact O-CA 3.34Å; E1168-R1252 HydrophobicContact CG-CB 4.48Å; E1168-R1252 WeakPolarHBondContact OE2-CD 3.16Å; E1168-R1252 IonicContact OE2-CZ 3.58Å; E1168-R1252 IonicContact OE2-NE 3.85Å; E1168-R1252 IonicContact OE2-NH1 2.76Å; E1168-R1252 PolarHBondContact OE2-NH1 2.81Å; S1249-R1252 WeakPolarHBondContact OG-CB 3.27Å; S1249-R1252 PolarHBondContact OG-N 3.13Å; R1252-A1310 CarbonylContact O-C 3.53Å; R1252-A1310 VanDerWaalsContact O-CA 3.3Å; R1252-A1310 WeakPolarHBondContact O-CA 3.26Å; R1252-Q1311 PolarHBondContact N-O 3.21Å; R1252-Q1311 PolarHBondContact O-N 2.97Å |
| 1253 | C | 93.5 | Very high | 84.1 | Confident | 17.2 Ų | 17.2 | 46.7 Ų | 46.7 | 12% | 0.116 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 124.4 | 171.5 | -177.3 | 0 | 0 | 0 | 0 | 108.6 | S1166 I1167 F1251 M1308 F1309 A1310 | S1166-C1253 CarbonylContact C-O 3.57Å; S1166-C1253 WeakPolarHBondContact CA-O 3.27Å; I1167-C1253 PolarHBondContact N-O 3.19Å; I1167-C1253 PolarHBondContact O-N 3.02Å; F1251-C1253 HydrophobicContact CE1-CB 3.92Å; F1251-C1253 HydrophobicContact CZ-CB 4.11Å; C1253-M1308 WeakPolarHBondContact SG-CE 3.37Å; C1253-F1309 CarbonylContact C-O 3.54Å; C1253-F1309 WeakPolarHBondContact CA-O 3.34Å; C1253-A1310 HydrophobicContact CB-CB 4.43Å |
| 1254 | S | 92.5 | Very high | 85.3 | Confident | 19.8 Ų | 19.8 | 43.7 Ų | 43.7 | 14% | 0.138 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 148.3 | -179.4 | 47.2 | 0 | 0 | 0 | 0 | 113 | V1165 M1308 F1309 | V1165-S1254 CarbonylContact O-C 3.55Å; V1165-S1254 WeakPolarHBondContact O-CA 3.37Å; V1165-S1254 WeakPolarHBondContact O-CB 3.3Å; S1254-M1308 CarbonylContact O-C 3.53Å; S1254-M1308 VanDerWaalsContact O-CA 3.3Å; S1254-M1308 WeakPolarHBondContact O-CA 3.44Å; S1254-F1309 PolarHBondContact N-O 3.04Å; S1254-F1309 PolarHBondContact O-N 3.03Å; S1254-F1309 PolarHBondContact OG-O 3.24Å |
| 1255 | F | 92 | Very high | 86.7 | Confident | 35.4 Ų | 35.4 | 37.4 Ų | 37.4 | 16% | 0.155 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 132.7 | 172.3 | -60.6 | -100.5 | 0 | 0 | 0 | 109.7 | T1164 V1165 M1258 F1305 E1307 M1308 | T1164-F1255 CarbonylContact C-O 3.5Å; T1164-F1255 VanDerWaalsContact CA-O 3.25Å; T1164-F1255 WeakPolarHBondContact CA-O 3.37Å; T1164-F1255 WeakPolarHBondContact CB-O 3.28Å; V1165-F1255 HydrophobicContact CB-CB 4.18Å; V1165-F1255 HydrophobicContact CB-CD2 4.39Å; V1165-F1255 HydrophobicContact CG1-CD2 4.4Å; V1165-F1255 PolarHBondContact N-O 3.07Å; V1165-F1255 PolarHBondContact O-N 3.2Å; F1255-M1258 HydrophobicContact CB-CB 4.41Å; F1255-F1305 HydrophobicContact CD1-CB 4.4Å; F1255-F1305 HydrophobicContact CD1-CD1 4.34Å; F1255-F1305 HydrophobicContact CD1-CD2 4.45Å; F1255-F1305 HydrophobicContact CD1-CG 4.26Å; F1255-E1307 CarbonylContact C-O 3.53Å; F1255-E1307 VanDerWaalsContact CA-O 3.26Å; F1255-E1307 WeakPolarHBondContact CA-O 3.32Å; F1255-M1308 HydrophobicContact CD1-CB 3.85Å; F1255-M1308 HydrophobicContact CD1-CG 3.81Å; F1255-M1308 HydrophobicContact CD1-SD 4.33Å; F1255-M1308 HydrophobicContact CE1-CB 3.89Å; F1255-M1308 HydrophobicContact CE1-CE 4.1Å; F1255-M1308 HydrophobicContact CE1-CG 3.45Å; F1255-M1308 VanDerWaalsContact CE1-CG 3.42Å; F1255-M1308 HydrophobicContact CE1-SD 3.46Å; F1255-M1308 WeakPolarHBondContact CE1-SD 3.36Å; F1255-M1308 HydrophobicContact CE2-CE 4.39Å; F1255-M1308 HydrophobicContact CE2-CG 4.41Å; F1255-M1308 HydrophobicContact CG-CG 4.4Å; F1255-M1308 HydrophobicContact CZ-CE 3.94Å; F1255-M1308 HydrophobicContact CZ-CG 3.78Å; F1255-M1308 HydrophobicContact CZ-SD 3.64Å; F1255-M1308 VanDerWaalsContact CZ-SD 3.52Å |
| 1256 | E | 89.9 | Confident | 87.8 | Confident | 80.4 Ų | 80.4 | 34.7 Ų | 34.7 | 38% | 0.376 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 134.1 | 172.7 | -128.3 | -167.4 | 159.7 | 0 | 0 | 110.7 | T1164 M1258 N1306 E1307 | T1164-E1256 HydrophobicContact CG2-CB 4.38Å; T1164-E1256 HydrophobicContact CG2-CG 4.25Å; E1256-M1258 PolarHBondContact O-N 3.11Å; E1256-N1306 HydrophobicContact CB-CB 4.31Å; E1256-N1306 HydrophobicContact CG-CB 4.4Å; E1256-N1306 PolarHBondContact O-N 3.13Å; E1256-E1307 HydrophobicContact CB-CB 4.09Å; E1256-E1307 HydrophobicContact CG-CB 4.03Å; E1256-E1307 HydrophobicContact CG-CG 4.47Å; E1256-E1307 PolarHBondContact N-O 3.12Å |
| 1257 | A | 86.6 | Confident | 88.9 | Confident | 16.6 Ų | 16.6 | 33.9 Ų | 33.9 | 14% | 0.137 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 49.1 | 57.7 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | I1149 V1151 N1163 D1259 N1306 | I1149-A1257 CarbonylContact O-C 3.48Å; I1149-A1257 WeakPolarHBondContact O-CA 3.32Å; V1151-A1257 VanDerWaalsContact CG2-C 3.49Å; V1151-A1257 HydrophobicContact CG2-CB 4.28Å; V1151-A1257 WeakPolarHBondContact CG2-O 3.41Å; N1163-A1257 PolarHBondContact O-N 3.01Å; A1257-D1259 PolarHBondContact O-N 3.45Å; A1257-N1306 HydrophobicContact CB-CB 4.23Å; A1257-N1306 WeakPolarHBondContact CB-ND2 3.26Å |
| 1258 | M | 90.3 | Very high | 89.7 | Confident | 29.8 Ų | 29.8 | 29.8 Ų | 29.8 | 15% | 0.147 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 122.1 | -178 | -172.5 | -173 | 178.9 | 0 | 0 | 111.7 | K1148 I1149 V1165 F1255 E1256 L1260 L1303 N1304 | K1148-M1258 CarbonylContact C-O 3.53Å; K1148-M1258 WeakPolarHBondContact CA-O 3.4Å; I1149-M1258 HydrophobicContact CB-CB 4.34Å; I1149-M1258 HydrophobicContact CD1-SD 4.43Å; I1149-M1258 PolarHBondContact N-O 3Å; I1149-M1258 PolarHBondContact O-N 3.07Å; V1165-M1258 HydrophobicContact CG2-CB 4.35Å; V1165-M1258 HydrophobicContact CG2-SD 3.99Å; F1255-M1258 HydrophobicContact CB-CB 4.41Å; E1256-M1258 PolarHBondContact O-N 3.11Å; M1258-L1260 HydrophobicContact CE-CB 4.19Å; M1258-L1260 HydrophobicContact CE-CD2 4.1Å; M1258-L1303 HydrophobicContact CE-CD1 3.48Å; M1258-L1303 VanDerWaalsContact CE-CD1 3.46Å; M1258-L1303 HydrophobicContact CE-CD2 4.46Å; M1258-L1303 HydrophobicContact CG-CD1 3.64Å; M1258-L1303 HydrophobicContact SD-CD1 4.4Å; M1258-N1304 CarbonylContact C-O 3.52Å; M1258-N1304 WeakPolarHBondContact CA-O 3.37Å |
| 1259 | D | 91.5 | Very high | 90.2 | Very high | 27 Ų | 27 | 28.9 Ų | 28.9 | 14% | 0.144 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 102.4 | 173.4 | 177.4 | 24 | 0 | 0 | 0 | 110.4 | H1146 V1151 A1257 K1261 L1303 N1304 | H1146-D1259 IonicContact CD2-OD1 3.05Å; H1146-D1259 PolarHBondContact CD2-OD1 3.25Å; H1146-D1259 VanDerWaalsContact CD2-OD1 3.26Å; H1146-D1259 IonicContact CE1-OD1 3.62Å; H1146-D1259 IonicContact NE2-OD1 2.96Å; H1146-D1259 PolarHBondContact NE2-OD1 3.05Å; H1146-D1259 VanDerWaalsContact NE2-OD1 3.1Å; V1151-D1259 HydrophobicContact CG2-CB 4.31Å; A1257-D1259 PolarHBondContact O-N 3.45Å; D1259-K1261 VanDerWaalsContact CG-CE 3.45Å; D1259-K1261 VanDerWaalsContact OD1-CE 3.3Å; D1259-K1261 WeakPolarHBondContact OD1-CE 3.38Å; D1259-K1261 IonicContact OD1-NZ 3Å; D1259-K1261 WeakPolarHBondContact OD2-CE 3.28Å; D1259-K1261 IonicContact OD2-NZ 3.01Å; D1259-K1261 PolarHBondContact OD2-NZ 3Å; D1259-L1303 CarbonylContact O-C 3.47Å; D1259-L1303 WeakPolarHBondContact O-CA 3.44Å; D1259-N1304 HydrophobicContact CB-CB 4.37Å; D1259-N1304 PolarHBondContact N-O 3.23Å; D1259-N1304 PolarHBondContact O-N 3.14Å; D1259-N1304 PolarHBondContact O-ND2 3.22Å |
| 1260 | L | 93.7 | Very high | 90.1 | Very high | 30.8 Ų | 30.8 | 29.8 Ų | 29.8 | 16% | 0.161 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 116.5 | -177.1 | 173.2 | 64.4 | 0 | 0 | 0 | 111.3 | H1146 I1147 M1258 V1262 V1301 L1303 | H1146-L1260 CarbonylContact C-O 3.57Å; H1146-L1260 WeakPolarHBondContact CA-O 3.42Å; I1147-L1260 HydrophobicContact CB-CB 4.23Å; I1147-L1260 HydrophobicContact CD1-CD2 4.07Å; I1147-L1260 PolarHBondContact N-O 3.08Å; I1147-L1260 PolarHBondContact O-N 2.98Å; M1258-L1260 HydrophobicContact CE-CB 4.19Å; M1258-L1260 HydrophobicContact CE-CD2 4.1Å; L1260-V1262 HydrophobicContact CD1-CG2 4.01Å; L1260-V1262 HydrophobicContact CD2-CG2 4.36Å; L1260-V1262 HydrophobicContact CG-CG2 3.94Å; L1260-V1301 HydrophobicContact CD1-CG1 3.53Å; L1260-V1301 VanDerWaalsContact CD1-CG1 3.48Å; L1260-L1303 HydrophobicContact CB-CD1 4.03Å; L1260-L1303 HydrophobicContact CD1-CB 3.98Å; L1260-L1303 HydrophobicContact CD1-CD1 4.27Å |
| 1261 | K | 92.3 | Very high | 89.7 | Confident | 20.2 Ų | 20.2 | 34.1 Ų | 34.1 | 9% | 0.088 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 125.3 | 176.5 | -56.9 | 157.5 | -172.2 | 136.5 | 0 | 109.1 | M1076 F1077 L1080 D1259 F1263 V1301 D1302 N1304 | M1076-K1261 HydrophobicContact CE-CD 4.24Å; M1076-K1261 HydrophobicContact CE-CG 4.42Å; F1077-K1261 HydrophobicContact CE1-CB 4.42Å; F1077-K1261 HydrophobicContact CE2-CB 4.28Å; F1077-K1261 HydrophobicContact CE2-CD 4.29Å; F1077-K1261 HydrophobicContact CE2-CG 3.97Å; F1077-K1261 HydrophobicContact CZ-CB 3.69Å; F1077-K1261 HydrophobicContact CZ-CG 3.86Å; L1080-K1261 HydrophobicContact CD1-CD 4.01Å; D1259-K1261 VanDerWaalsContact CG-CE 3.45Å; D1259-K1261 VanDerWaalsContact OD1-CE 3.3Å; D1259-K1261 WeakPolarHBondContact OD1-CE 3.38Å; D1259-K1261 IonicContact OD1-NZ 3Å; D1259-K1261 WeakPolarHBondContact OD2-CE 3.28Å; D1259-K1261 IonicContact OD2-NZ 3.01Å; D1259-K1261 PolarHBondContact OD2-NZ 3Å; K1261-F1263 HydrophobicContact CB-CE2 3.8Å; K1261-F1263 HydrophobicContact CB-CZ 4.28Å; K1261-V1301 CarbonylContact O-C 3.51Å; K1261-V1301 WeakPolarHBondContact O-CA 3.37Å; K1261-D1302 HydrophobicContact CB-CB 4.25Å; K1261-D1302 HydrophobicContact CD-CB 4.34Å; K1261-D1302 PolarHBondContact N-O 3.19Å; K1261-D1302 IonicContact NZ-OD2 3.29Å; K1261-D1302 PolarHBondContact O-N 3.29Å; K1261-N1304 PolarHBondContact NZ-ND2 3.18Å |
| 1262 | V | 93.8 | Very high | 89.3 | Confident | 21.4 Ų | 21.4 | 37.2 Ų | 37.2 | 13% | 0.13 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 115.3 | -178.8 | -174 | 0 | 0 | 0 | 0 | 109.2 | D1144 W1145 L1260 R1299 Y1300 V1301 | D1144-V1262 CarbonylContact C-O 3.54Å; D1144-V1262 VanDerWaalsContact CA-O 3.3Å; D1144-V1262 WeakPolarHBondContact CA-O 3.31Å; W1145-V1262 HydrophobicContact CB-CB 4.19Å; W1145-V1262 PolarHBondContact N-O 3.07Å; W1145-V1262 PolarHBondContact O-N 2.98Å; L1260-V1262 HydrophobicContact CD1-CG2 4.01Å; L1260-V1262 HydrophobicContact CD2-CG2 4.36Å; L1260-V1262 HydrophobicContact CG-CG2 3.94Å; V1262-R1299 HydrophobicContact CG1-CB 3.74Å; V1262-R1299 HydrophobicContact CG1-CG 3.8Å; V1262-Y1300 CarbonylContact C-O 3.5Å; V1262-Y1300 WeakPolarHBondContact CA-O 3.39Å; V1262-V1301 HydrophobicContact CG1-CG2 4.46Å |
| 1263 | F | 92.6 | Very high | 89 | Confident | 0.2 Ų | 0.2 | 37.5 Ų | 37.5 | 0% | 0.001 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 128.2 | -176.8 | -59 | -97.7 | 0 | 0 | 0 | 111.1 | F1077 L1080 R1081 I1084 L1087 K1261 R1299 Y1300 | F1077-F1263 HydrophobicContact CB-CE1 4.13Å; F1077-F1263 AromaticContact CD1-CD1 3.67Å; F1077-F1263 HydrophobicContact CD1-CD1 3.67Å; F1077-F1263 AromaticContact CD1-CE1 3.23Å; F1077-F1263 HydrophobicContact CD1-CE1 3.23Å; F1077-F1263 HydrophobicContact CD1-CG 4.49Å; F1077-F1263 AromaticContact CD1-CZ 3.82Å; F1077-F1263 HydrophobicContact CD1-CZ 3.82Å; F1077-F1263 HydrophobicContact CD2-CE1 4.37Å; F1077-F1263 HydrophobicContact CD2-CZ 4.42Å; F1077-F1263 AromaticContact CE1-CD1 3.85Å; F1077-F1263 HydrophobicContact CE1-CD1 3.99Å; F1077-F1263 AromaticContact CE1-CE1 3.65Å; F1077-F1263 HydrophobicContact CE1-CE1 3.65Å; F1077-F1263 HydrophobicContact CE1-CE2 4.31Å; F1077-F1263 HydrophobicContact CE1-CG 4.43Å; F1077-F1263 AromaticContact CE1-CZ 3.82Å; F1077-F1263 HydrophobicContact CE1-CZ 3.82Å; F1077-F1263 HydrophobicContact CE2-CZ 4.46Å; F1077-F1263 HydrophobicContact CG-CD1 4.47Å; F1077-F1263 AromaticContact CG-CE1 3.73Å; F1077-F1263 HydrophobicContact CG-CE1 3.73Å; F1077-F1263 HydrophobicContact CG-CZ 4.2Å; F1077-F1263 HydrophobicContact CZ-CE1 4.42Å; F1077-F1263 HydrophobicContact CZ-CZ 4.24Å; L1080-F1263 HydrophobicContact CB-CE1 4.18Å; L1080-F1263 HydrophobicContact CB-CZ 3.88Å; L1080-F1263 HydrophobicContact CD1-CZ 3.94Å; L1080-F1263 HydrophobicContact CG-CZ 4.44Å; R1081-F1263 HydrophobicContact CG-CD1 4.14Å; R1081-F1263 HydrophobicContact CG-CE1 4.22Å; I1084-F1263 HydrophobicContact CD1-CD2 4.43Å; I1084-F1263 HydrophobicContact CD1-CE2 4.07Å; I1084-F1263 HydrophobicContact CD1-CZ 4.18Å; L1087-F1263 HydrophobicContact CD1-CB 3.98Å; L1087-F1263 HydrophobicContact CD1-CD1 3.85Å; L1087-F1263 HydrophobicContact CD1-CD2 4.48Å; L1087-F1263 HydrophobicContact CD1-CE1 4.46Å; L1087-F1263 HydrophobicContact CD1-CG 3.88Å; L1087-F1263 HydrophobicContact CD2-CB 4.06Å; K1261-F1263 HydrophobicContact CB-CE2 3.8Å; K1261-F1263 HydrophobicContact CB-CZ 4.28Å; F1263-R1299 WeakPolarHBondContact O-CA 3.38Å; F1263-R1299 VanDerWaalsContact O-CD 3.27Å; F1263-R1299 WeakPolarHBondContact O-CD 3.37Å; F1263-Y1300 AromaticContact CD2-CD1 3.92Å; F1263-Y1300 HydrophobicContact CD2-CD1 3.92Å; F1263-Y1300 HydrophobicContact CE2-CD1 4.39Å; F1263-Y1300 PolarHBondContact N-O 3.14Å; F1263-Y1300 PolarHBondContact O-N 3.22Å |
| 1264 | A | 91 | Very high | 88.8 | Confident | 1.8 Ų | 1.8 | 37.3 Ų | 37.3 | 2% | 0.015 | 20% | 0.198 | C | C | . | . | trans | -96.4 | 135.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | R1081 N1092 W1142 D1144 R1299 | R1081-A1264 PolarHBondContact NH2-O 3.11Å; N1092-A1264 PolarHBondContact ND2-O 3.08Å; W1142-A1264 HydrophobicContact CB-CB 4.33Å; W1142-A1264 VanDerWaalsContact O-CB 3.27Å; W1142-A1264 WeakPolarHBondContact O-CB 3.32Å; D1144-A1264 PolarHBondContact OD1-N 2.98Å; D1144-A1264 VanDerWaalsContact OD1-O 3.12Å; A1264-R1299 VanDerWaalsContact CB-CZ 3.4Å | ||
| 1265 | D | 89.2 | Confident | 88.7 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.011 | 20% | 0.197 | C | C | . | . | trans | -140.2 | 159.1 | -175.5 | -164.9 | 67 | 0 | 0 | 0 | 112.2 | R1081 L1087 M1088 S1089 N1267 F1268 L1269 | R1081-D1265 IonicContact NH1-OD1 3.16Å; R1081-D1265 PolarHBondContact NH1-OD1 2.79Å; L1087-D1265 HydrophobicContact CD2-CB 3.72Å; M1088-D1265 VanDerWaalsContact N-CG 3.34Å; M1088-D1265 PolarHBondContact N-OD1 3.16Å; M1088-D1265 PolarHBondContact N-OD2 3.07Å; S1089-D1265 WeakPolarHBondContact CB-OD1 3.43Å; S1089-D1265 PolarHBondContact N-OD1 3.12Å; S1089-D1265 PolarHBondContact OG-OD1 3.03Å; D1265-N1267 PolarHBondContact O-N 3.32Å; D1265-N1267 VanDerWaalsContact OD2-CB 3.31Å; D1265-N1267 WeakPolarHBondContact OD2-CB 3.35Å; D1265-N1267 PolarHBondContact OD2-N 3.18Å; D1265-N1267 VanDerWaalsContact OD2-N 3.11Å; D1265-F1268 HydrophobicContact CB-CD2 3.68Å; D1265-F1268 HydrophobicContact CB-CE2 3.88Å; D1265-F1268 HydrophobicContact CB-CG 4.42Å; D1265-F1268 CarbonylContact O-C 3.51Å; D1265-F1268 WeakPolarHBondContact O-CA 3.26Å; D1265-F1268 WeakPolarHBondContact O-CB 3.37Å; D1265-F1268 PolarHBondContact O-N 3.03Å; D1265-L1269 PolarHBondContact O-N 2.88Å | ||
| 1266 | I | 86.7 | Confident | 88.5 | Confident | 69.4 Ų | 69.4 | 41 Ų | 41 | 36% | 0.356 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -64.8 | -26.2 | 175.7 | -118.4 | 167.5 | 0 | 0 | 0 | 111.7 | M1088 M1141 F1268 L1269 R1273 | M1088-I1266 HydrophobicContact CB-CG2 3.92Å; M1088-I1266 HydrophobicContact CE-CB 4.28Å; M1088-I1266 HydrophobicContact CE-CG2 3.8Å; M1141-I1266 HydrophobicContact SD-CB 4.39Å; M1141-I1266 HydrophobicContact SD-CG1 3.75Å; I1266-F1268 VanDerWaalsContact C-N 3.25Å; I1266-F1268 PolarHBondContact O-N 2.99Å; I1266-L1269 HydrophobicContact CG1-CD2 4.24Å; I1266-L1269 WeakPolarHBondContact O-CB 3.27Å; I1266-L1269 PolarHBondContact O-N 3.24Å; I1266-L1269 VanDerWaalsContact O-N 3.15Å; I1266-R1273 PolarHBondContact O-NH1 2.98Å; I1266-R1273 VanDerWaalsContact O-NH1 3.11Å |
| 1267 | N | 85.6 | Confident | 88.4 | Confident | 31.2 Ų | 31.2 | 38.2 Ų | 38.2 | 17% | 0.167 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -65.7 | -21 | 170.9 | -144.4 | 0.9 | 0 | 0 | 0 | 112.8 | V1086 M1088 D1265 R1273 Q1277 | V1086-N1267 PolarHBondContact O-ND2 3.01Å; M1088-N1267 HydrophobicContact CE-CB 3.95Å; M1088-N1267 HydrophobicContact CG-CB 4.32Å; D1265-N1267 PolarHBondContact O-N 3.32Å; D1265-N1267 VanDerWaalsContact OD2-CB 3.31Å; D1265-N1267 WeakPolarHBondContact OD2-CB 3.35Å; D1265-N1267 PolarHBondContact OD2-N 3.18Å; D1265-N1267 VanDerWaalsContact OD2-N 3.11Å; N1267-R1273 WeakPolarHBondContact O-CB 3.34Å; N1267-Q1277 PolarHBondContact ND2-NE2 2.92Å; N1267-Q1277 PolarHBondContact OD1-NE2 2.83Å |
| 1268 | F | 86.1 | Confident | 88.5 | Confident | 7.2 Ų | 7.2 | 37.5 Ų | 37.5 | 3% | 0.032 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -104.4 | 17.2 | 178.3 | -49.1 | -41.3 | 0 | 0 | 0 | 112.6 | V1086 L1087 D1265 I1266 L1274 Q1277 C1298 R1330 | V1086-F1268 HydrophobicContact CG1-CE1 4.09Å; V1086-F1268 HydrophobicContact CG1-CZ 3.79Å; L1087-F1268 HydrophobicContact CD2-CE2 3.87Å; L1087-F1268 HydrophobicContact CD2-CZ 4.34Å; D1265-F1268 HydrophobicContact CB-CD2 3.68Å; D1265-F1268 HydrophobicContact CB-CE2 3.88Å; D1265-F1268 HydrophobicContact CB-CG 4.42Å; D1265-F1268 CarbonylContact O-C 3.51Å; D1265-F1268 WeakPolarHBondContact O-CA 3.26Å; D1265-F1268 WeakPolarHBondContact O-CB 3.37Å; D1265-F1268 PolarHBondContact O-N 3.03Å; I1266-F1268 VanDerWaalsContact C-N 3.25Å; I1266-F1268 PolarHBondContact O-N 2.99Å; F1268-L1274 HydrophobicContact CB-CD2 4.18Å; F1268-L1274 WeakPolarHBondContact O-CD1 3.38Å; F1268-L1274 VanDerWaalsContact O-CD2 3.31Å; F1268-L1274 WeakPolarHBondContact O-CD2 3.37Å; F1268-L1274 WeakPolarHBondContact O-CG 3.16Å; F1268-Q1277 HydrophobicContact CD1-CG 4.19Å; F1268-Q1277 HydrophobicContact CE1-CG 4.35Å; F1268-C1298 HydrophobicContact CB-CB 4.13Å; F1268-C1298 WeakPolarHBondContact CB-O 3.41Å; F1268-C1298 HydrophobicContact CD1-CB 4.03Å; F1268-C1298 VanDerWaalsContact CD1-SG 3.58Å; F1268-C1298 WeakPolarHBondContact CD1-SG 3.39Å; F1268-C1298 HydrophobicContact CG-CB 4.13Å; F1268-R1330 HydrophobicContact CZ-CG 4.46Å |
| 1269 | L | 83.6 | Confident | 88.4 | Confident | 42.6 Ų | 42.6 | 42.2 Ų | 42.2 | 22% | 0.223 | 21% | 0.212 | C | C | . | . | trans | -106.5 | 127 | -176.6 | -157 | 74.9 | 0 | 0 | 0 | 110.7 | P1139 M1141 D1265 I1266 | P1139-L1269 HydrophobicContact CB-CD1 3.96Å; P1139-L1269 HydrophobicContact CB-CD2 4.19Å; P1139-L1269 HydrophobicContact CB-CG 4.01Å; P1139-L1269 HydrophobicContact CG-CD2 4.25Å; P1139-L1269 HydrophobicContact CG-CG 4.29Å; P1139-L1269 VanDerWaalsContact O-CD2 3.24Å; P1139-L1269 WeakPolarHBondContact O-CD2 3.43Å; M1141-L1269 HydrophobicContact CB-CD1 4.25Å; M1141-L1269 HydrophobicContact CG-CD1 4.34Å; D1265-L1269 PolarHBondContact O-N 2.88Å; I1266-L1269 HydrophobicContact CG1-CD2 4.24Å; I1266-L1269 WeakPolarHBondContact O-CB 3.27Å; I1266-L1269 PolarHBondContact O-N 3.24Å; I1266-L1269 VanDerWaalsContact O-N 3.15Å | ||
| 1270 | G | 82.2 | Confident | 88.2 | Confident | 33.8 Ų | 33.8 | 43.3 Ų | 43.3 | 35% | 0.348 | 22% | 0.222 | S | C | . | . | S | Bend | trans | 90.3 | 148.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | T1272 R1273 L1274 | G1270-T1272 PolarHBondContact O-N 3.06Å; G1270-R1273 PolarHBondContact O-N 2.95Å; G1270-L1274 WeakPolarHBondContact O-CB 3.27Å; G1270-L1274 WeakPolarHBondContact O-CD1 3.38Å; G1270-L1274 VanDerWaalsContact O-CG 3.29Å; G1270-L1274 WeakPolarHBondContact O-CG 3.42Å; G1270-L1274 PolarHBondContact O-N 2.95Å; G1270-L1274 VanDerWaalsContact O-N 3.14Å |
| 1271 | E | 84 | Confident | 87.8 | Confident | 90.2 Ų | 90.2 | 41.9 Ų | 41.9 | 42% | 0.421 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.8 | -42.4 | -173.4 | -154.6 | 172.8 | -169.9 | 0 | 0 | 112.5 | R1273 L1274 C1275 F1293 L1296 | E1271-R1273 PolarHBondContact O-N 2.76Å; E1271-L1274 PolarHBondContact O-N 3.23Å; E1271-C1275 WeakPolarHBondContact O-CB 3.31Å; E1271-C1275 PolarHBondContact O-N 3.07Å; E1271-C1275 PolarHBondContact O-SG 3.24Å; E1271-F1293 HydrophobicContact CG-CD2 4.2Å; E1271-F1293 WeakPolarHBondContact OE1-CD2 3.26Å; E1271-F1293 PolarHBondContact OE1-N 3.31Å; E1271-L1296 HydrophobicContact CB-CD2 4.37Å; E1271-L1296 HydrophobicContact CG-CD2 3.96Å |
| 1272 | T | 86 | Confident | 87.5 | Confident | 106.6 Ų | 106.6 | 41.2 Ų | 41.2 | 65% | 0.654 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -60.6 | -48.4 | -178.8 | -41.1 | 0 | 0 | 0 | 0 | 112.7 | G1270 C1275 Q1276 | G1270-T1272 PolarHBondContact O-N 3.06Å; T1272-C1275 PolarHBondContact O-N 2.84Å; T1272-Q1276 WeakPolarHBondContact O-CG 3.33Å; T1272-Q1276 PolarHBondContact O-N 3.07Å; T1272-Q1276 VanDerWaalsContact O-N 3.09Å |
| 1273 | R | 86.7 | Confident | 86.9 | Confident | 104.8 Ų | 104.8 | 44.2 Ų | 44.2 | 40% | 0.395 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67.1 | -42.1 | 179.1 | -68.1 | -175.2 | -178.1 | 159.3 | 2 | 111.1 | I1266 N1267 G1270 E1271 C1275 Q1276 Q1277 | I1266-R1273 PolarHBondContact O-NH1 2.98Å; I1266-R1273 VanDerWaalsContact O-NH1 3.11Å; N1267-R1273 WeakPolarHBondContact O-CB 3.34Å; G1270-R1273 PolarHBondContact O-N 2.95Å; E1271-R1273 PolarHBondContact O-N 2.76Å; R1273-C1275 VanDerWaalsContact C-N 3.32Å; R1273-C1275 PolarHBondContact O-N 3.19Å; R1273-Q1276 WeakPolarHBondContact O-CB 3.35Å; R1273-Q1276 PolarHBondContact O-N 3.19Å; R1273-Q1276 VanDerWaalsContact O-N 3.15Å; R1273-Q1277 VanDerWaalsContact O-CG 3.31Å; R1273-Q1277 WeakPolarHBondContact O-CG 3.41Å; R1273-Q1277 PolarHBondContact O-N 3.13Å |
| 1274 | L | 89.2 | Confident | 86.2 | Confident | 13 Ų | 13 | 46.1 Ų | 46.1 | 7% | 0.068 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.6 | -41 | 176 | -73.7 | 166.5 | 0 | 0 | 0 | 112 | F1268 G1270 E1271 Q1276 Q1277 I1278 L1296 C1298 | F1268-L1274 HydrophobicContact CB-CD2 4.18Å; F1268-L1274 WeakPolarHBondContact O-CD1 3.38Å; F1268-L1274 VanDerWaalsContact O-CD2 3.31Å; F1268-L1274 WeakPolarHBondContact O-CD2 3.37Å; F1268-L1274 WeakPolarHBondContact O-CG 3.16Å; G1270-L1274 WeakPolarHBondContact O-CB 3.27Å; G1270-L1274 WeakPolarHBondContact O-CD1 3.38Å; G1270-L1274 VanDerWaalsContact O-CG 3.29Å; G1270-L1274 WeakPolarHBondContact O-CG 3.42Å; G1270-L1274 PolarHBondContact O-N 2.95Å; G1270-L1274 VanDerWaalsContact O-N 3.14Å; E1271-L1274 PolarHBondContact O-N 3.23Å; L1274-Q1276 VanDerWaalsContact C-N 3.33Å; L1274-Q1276 PolarHBondContact O-N 3.34Å; L1274-Q1277 WeakPolarHBondContact O-CB 3.32Å; L1274-Q1277 PolarHBondContact O-N 2.97Å; L1274-I1278 VanDerWaalsContact O-CG1 3.31Å; L1274-I1278 WeakPolarHBondContact O-CG1 3.27Å; L1274-I1278 PolarHBondContact O-N 3.19Å; L1274-L1296 HydrophobicContact CB-CD1 4.29Å; L1274-L1296 HydrophobicContact CB-CD2 3.66Å; L1274-L1296 HydrophobicContact CB-CG 3.95Å; L1274-L1296 HydrophobicContact CD1-CD2 3.84Å; L1274-L1296 HydrophobicContact CD1-CG 3.83Å; L1274-L1296 HydrophobicContact CG-CD2 4.37Å; L1274-L1296 HydrophobicContact CG-CG 4.39Å; L1274-C1298 HydrophobicContact CD2-CB 3.23Å |
| 1275 | C | 88.9 | Confident | 85.9 | Confident | 16 Ų | 16 | 46.6 Ų | 46.6 | 11% | 0.108 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.4 | -42.7 | 173.6 | -68.4 | 0 | 0 | 0 | 0 | 112.3 | E1271 T1272 R1273 Q1277 I1278 R1279 W1287 F1293 | E1271-C1275 WeakPolarHBondContact O-CB 3.31Å; E1271-C1275 PolarHBondContact O-N 3.07Å; E1271-C1275 PolarHBondContact O-SG 3.24Å; T1272-C1275 PolarHBondContact O-N 2.84Å; R1273-C1275 VanDerWaalsContact C-N 3.32Å; R1273-C1275 PolarHBondContact O-N 3.19Å; C1275-Q1277 VanDerWaalsContact C-N 3.32Å; C1275-Q1277 PolarHBondContact O-N 2.86Å; C1275-I1278 PolarHBondContact O-N 3.19Å; C1275-R1279 WeakPolarHBondContact O-CG 3.24Å; C1275-R1279 PolarHBondContact O-N 3.05Å; C1275-W1287 HydrophobicContact CB-CH2 4.25Å; C1275-W1287 HydrophobicContact CB-CZ2 3.87Å; C1275-F1293 WeakPolarHBondContact SG-CE2 3.26Å |
| 1276 | Q | 88.6 | Confident | 85.6 | Confident | 116.8 Ų | 116.8 | 49 Ų | 49 | 55% | 0.546 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 175 | -71.9 | 171.5 | -15.3 | 0 | 0 | 111.7 | T1272 R1273 L1274 R1279 S1280 | T1272-Q1276 WeakPolarHBondContact O-CG 3.33Å; T1272-Q1276 PolarHBondContact O-N 3.07Å; T1272-Q1276 VanDerWaalsContact O-N 3.09Å; R1273-Q1276 WeakPolarHBondContact O-CB 3.35Å; R1273-Q1276 PolarHBondContact O-N 3.19Å; R1273-Q1276 VanDerWaalsContact O-N 3.15Å; L1274-Q1276 VanDerWaalsContact C-N 3.33Å; L1274-Q1276 PolarHBondContact O-N 3.34Å; Q1276-R1279 PolarHBondContact O-N 3Å; Q1276-S1280 WeakPolarHBondContact O-CB 3.4Å; Q1276-S1280 PolarHBondContact O-N 3.1Å |
| 1277 | Q | 88.3 | Confident | 85.4 | Confident | 21.2 Ų | 21.2 | 48.4 Ų | 48.4 | 10% | 0.099 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.4 | -47.6 | 175.5 | -67 | -65.3 | -33.2 | 0 | 0 | 111.2 | N1267 F1268 R1273 L1274 C1275 R1279 S1280 M1281 | N1267-Q1277 PolarHBondContact ND2-NE2 2.92Å; N1267-Q1277 PolarHBondContact OD1-NE2 2.83Å; F1268-Q1277 HydrophobicContact CD1-CG 4.19Å; F1268-Q1277 HydrophobicContact CE1-CG 4.35Å; R1273-Q1277 VanDerWaalsContact O-CG 3.31Å; R1273-Q1277 WeakPolarHBondContact O-CG 3.41Å; R1273-Q1277 PolarHBondContact O-N 3.13Å; L1274-Q1277 WeakPolarHBondContact O-CB 3.32Å; L1274-Q1277 PolarHBondContact O-N 2.97Å; C1275-Q1277 VanDerWaalsContact C-N 3.32Å; C1275-Q1277 PolarHBondContact O-N 2.86Å; Q1277-R1279 PolarHBondContact O-N 3.34Å; Q1277-S1280 WeakPolarHBondContact O-CB 3.36Å; Q1277-S1280 PolarHBondContact O-N 3.27Å; Q1277-S1280 VanDerWaalsContact O-N 3.13Å; Q1277-S1280 PolarHBondContact O-OG 3.17Å; Q1277-M1281 HydrophobicContact CB-CE 4.12Å; Q1277-M1281 WeakPolarHBondContact O-CE 3.48Å; Q1277-M1281 WeakPolarHBondContact O-CG 3.39Å; Q1277-M1281 PolarHBondContact O-N 3.07Å; Q1277-M1281 VanDerWaalsContact O-N 3.09Å |
| 1278 | I | 88.6 | Confident | 85 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.7 | -47.9 | 177.6 | -67.2 | 172.4 | 0 | 0 | 0 | 111.2 | L1274 C1275 S1280 M1281 D1282 W1287 L1296 A1332 C1334 F1386 | L1274-I1278 VanDerWaalsContact O-CG1 3.31Å; L1274-I1278 WeakPolarHBondContact O-CG1 3.27Å; L1274-I1278 PolarHBondContact O-N 3.19Å; C1275-I1278 PolarHBondContact O-N 3.19Å; I1278-S1280 PolarHBondContact O-N 3.14Å; I1278-M1281 HydrophobicContact CG1-CE 4.27Å; I1278-M1281 PolarHBondContact O-N 3.21Å; I1278-D1282 PolarHBondContact O-N 3.03Å; I1278-W1287 HydrophobicContact CB-CH2 4.1Å; I1278-W1287 HydrophobicContact CB-CZ3 4.25Å; I1278-W1287 HydrophobicContact CD1-CH2 4.45Å; I1278-W1287 HydrophobicContact CG2-CH2 3.83Å; I1278-W1287 HydrophobicContact CG2-CZ3 3.62Å; I1278-W1287 VanDerWaalsContact CG2-CZ3 3.48Å; I1278-L1296 HydrophobicContact CD1-CD1 3.61Å; I1278-A1332 HydrophobicContact CG1-CB 4.3Å; I1278-C1334 HydrophobicContact CD1-CB 4.11Å; I1278-F1386 HydrophobicContact CD1-CD2 4.44Å; I1278-F1386 HydrophobicContact CG1-CD2 4.37Å; I1278-F1386 HydrophobicContact CG1-CG 4.46Å; I1278-F1386 HydrophobicContact CG2-CD1 3.63Å; I1278-F1386 HydrophobicContact CG2-CD2 3.97Å; I1278-F1386 HydrophobicContact CG2-CE1 3.68Å; I1278-F1386 HydrophobicContact CG2-CE2 4.04Å; I1278-F1386 HydrophobicContact CG2-CG 3.77Å; I1278-F1386 HydrophobicContact CG2-CZ 3.89Å |
| 1279 | R | 88.2 | Confident | 84.3 | Confident | 128.4 Ų | 128.4 | 54.9 Ų | 54.9 | 49% | 0.485 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.1 | -34.2 | 175.9 | -73.3 | 179 | -179.7 | -174.8 | 0.5 | 112.9 | C1275 Q1276 Q1277 M1281 D1282 P1283 W1287 | C1275-R1279 WeakPolarHBondContact O-CG 3.24Å; C1275-R1279 PolarHBondContact O-N 3.05Å; Q1276-R1279 PolarHBondContact O-N 3Å; Q1277-R1279 PolarHBondContact O-N 3.34Å; R1279-M1281 VanDerWaalsContact C-N 3.34Å; R1279-D1282 CarbonylContact O-C 3.55Å; R1279-D1282 VanDerWaalsContact O-C 3.31Å; R1279-P1283 WeakPolarHBondContact O-CA 3.38Å; R1279-W1287 HydrophobicContact CG-CD2 3.76Å; R1279-W1287 HydrophobicContact CG-CE3 3.54Å; R1279-W1287 VanDerWaalsContact CG-CE3 3.46Å; R1279-W1287 HydrophobicContact CG-CG 4.32Å; R1279-W1287 HydrophobicContact CG-CH2 4.19Å; R1279-W1287 HydrophobicContact CG-CZ2 4.37Å; R1279-W1287 HydrophobicContact CG-CZ3 3.81Å; R1279-W1287 VanDerWaalsContact CZ-CD1 3.49Å; R1279-W1287 VanDerWaalsContact NE-CD1 3.32Å; R1279-W1287 VanDerWaalsContact NE-CD2 3.34Å; R1279-W1287 VanDerWaalsContact NE-CG 3.28Å; R1279-W1287 VanDerWaalsContact NH2-CG 3.31Å; R1279-W1287 VanDerWaalsContact NH2-NE1 3.12Å |
| 1280 | S | 86.3 | Confident | 83.7 | Confident | 50.2 Ų | 50.2 | 59.8 Ų | 59.8 | 35% | 0.351 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -71.2 | -32.3 | 176.3 | 93.4 | 0 | 0 | 0 | 0 | 112.9 | Q1276 Q1277 I1278 R1330 | Q1276-S1280 WeakPolarHBondContact O-CB 3.4Å; Q1276-S1280 PolarHBondContact O-N 3.1Å; Q1277-S1280 WeakPolarHBondContact O-CB 3.36Å; Q1277-S1280 PolarHBondContact O-N 3.27Å; Q1277-S1280 VanDerWaalsContact O-N 3.13Å; Q1277-S1280 PolarHBondContact O-OG 3.17Å; I1278-S1280 PolarHBondContact O-N 3.14Å; S1280-R1330 PolarHBondContact OG-NH1 2.99Å; S1280-R1330 PolarHBondContact OG-NH2 3.2Å; S1280-R1330 VanDerWaalsContact OG-NH2 3.09Å |
| 1281 | M | 86.7 | Confident | 83.4 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -78.1 | -37.9 | 178.6 | -64.4 | -176.3 | -104.7 | 0 | 0 | 111.7 | Q1277 I1278 R1279 R1330 A1332 F1386 D1388 | Q1277-M1281 HydrophobicContact CB-CE 4.12Å; Q1277-M1281 WeakPolarHBondContact O-CE 3.48Å; Q1277-M1281 WeakPolarHBondContact O-CG 3.39Å; Q1277-M1281 PolarHBondContact O-N 3.07Å; Q1277-M1281 VanDerWaalsContact O-N 3.09Å; I1278-M1281 HydrophobicContact CG1-CE 4.27Å; I1278-M1281 PolarHBondContact O-N 3.21Å; R1279-M1281 VanDerWaalsContact C-N 3.34Å; M1281-R1330 HydrophobicContact CE-CB 3.82Å; M1281-R1330 HydrophobicContact SD-CB 4.02Å; M1281-A1332 HydrophobicContact CE-CB 3.84Å; M1281-A1332 HydrophobicContact SD-CB 4.37Å; M1281-F1386 HydrophobicContact CB-CB 4.42Å; M1281-F1386 HydrophobicContact CE-CB 3.92Å; M1281-F1386 HydrophobicContact SD-CB 4.21Å; M1281-D1388 HydrophobicContact CB-CB 4.45Å; M1281-D1388 HydrophobicContact CG-CB 3.84Å; M1281-D1388 HydrophobicContact SD-CB 4.25Å |
| 1282 | D | 85.4 | Confident | 83.1 | Confident | 5.2 Ų | 5.2 | 59.4 Ų | 59.4 | 3% | 0.028 | 31% | 0.307 | C | S | . | . | trans | -126.9 | 87.4 | 176.7 | -179.8 | 27.4 | 0 | 0 | 0 | 111.7 | I1278 R1279 S1284 S1285 F1386 H1463 H1576 | I1278-D1282 PolarHBondContact O-N 3.03Å; R1279-D1282 CarbonylContact O-C 3.55Å; R1279-D1282 VanDerWaalsContact O-C 3.31Å; D1282-S1284 VanDerWaalsContact C-N 3.32Å; D1282-S1284 WeakPolarHBondContact OD1-CA 3.24Å; D1282-S1284 WeakPolarHBondContact OD1-CB 3.31Å; D1282-S1284 PolarHBondContact OD1-N 3.03Å; D1282-S1284 VanDerWaalsContact OD1-N 3.09Å; D1282-S1284 PolarHBondContact OD1-OG 3.2Å; D1282-S1284 VanDerWaalsContact OD1-OG 3.07Å; D1282-S1285 PolarHBondContact OD1-N 3.2Å; D1282-S1285 WeakPolarHBondContact OD2-CB 3.33Å; D1282-S1285 PolarHBondContact OD2-N 3.08Å; D1282-S1285 PolarHBondContact OD2-OG 2.93Å; D1282-S1285 VanDerWaalsContact OD2-OG 3.07Å; D1282-F1386 HydrophobicContact CB-CD1 3.95Å; D1282-F1386 HydrophobicContact CB-CE1 4.11Å; D1282-H1463 HydrophobicContact CB-CB 4.24Å; D1282-H1576 IonicContact OD2-CE1 3.05Å; D1282-H1576 PolarHBondContact OD2-CE1 3.07Å; D1282-H1576 VanDerWaalsContact OD2-CE1 3.25Å; D1282-H1576 IonicContact OD2-ND1 3.49Å; D1282-H1576 IonicContact OD2-NE2 2.97Å; D1282-H1576 PolarHBondContact OD2-NE2 3.13Å | ||
| 1283 | P | 81.5 | Confident | 82.8 | Confident | 84.2 Ų | 84.2 | 55.6 Ų | 55.6 | 55% | 0.547 | 28% | 0.281 | S | S | . | . | trans | -83.7 | -7.5 | 177 | 33.5 | -35.8 | 0 | 0 | 0 | 113.4 | R1279 | R1279-P1283 WeakPolarHBondContact O-CA 3.38Š| ||
| 1284 | S | 77.7 | Confident | 82.4 | Confident | 40.4 Ų | 40.4 | 53.6 Ų | 53.6 | 28% | 0.283 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -88 | -24.9 | -172.8 | 56 | 0 | 0 | 0 | 0 | 113.3 | D1282 S1503 | D1282-S1284 VanDerWaalsContact C-N 3.32Å; D1282-S1284 WeakPolarHBondContact OD1-CA 3.24Å; D1282-S1284 WeakPolarHBondContact OD1-CB 3.31Å; D1282-S1284 PolarHBondContact OD1-N 3.03Å; D1282-S1284 VanDerWaalsContact OD1-N 3.09Å; D1282-S1284 PolarHBondContact OD1-OG 3.2Å; D1282-S1284 VanDerWaalsContact OD1-OG 3.07Å; S1284-S1503 PolarHBondContact OG-O 3.31Å |
| 1285 | S | 83.8 | Confident | 82.2 | Confident | 13.2 Ų | 13.2 | 55.3 Ų | 55.3 | 9% | 0.092 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -82.8 | 140 | 177.8 | 55.2 | 0 | 0 | 0 | 0 | 112.3 | D1282 W1287 Y1574 H1576 | D1282-S1285 PolarHBondContact OD1-N 3.2Å; D1282-S1285 WeakPolarHBondContact OD2-CB 3.33Å; D1282-S1285 PolarHBondContact OD2-N 3.08Å; D1282-S1285 PolarHBondContact OD2-OG 2.93Å; D1282-S1285 VanDerWaalsContact OD2-OG 3.07Å; S1285-W1287 PolarHBondContact O-N 3.31Å; S1285-Y1574 WeakPolarHBondContact CB-O 3.37Å; S1285-Y1574 PolarHBondContact OG-O 2.84Å; S1285-H1576 VanDerWaalsContact CB-CD2 3.46Å; S1285-H1576 WeakPolarHBondContact CB-CD2 3.35Å; S1285-H1576 WeakPolarHBondContact CB-CE1 3.31Å; S1285-H1576 WeakPolarHBondContact CB-ND1 3.39Å; S1285-H1576 WeakPolarHBondContact CB-NE2 3.39Å; S1285-H1576 PolarHBondContact OG-CE1 2.97Å; S1285-H1576 VanDerWaalsContact OG-CE1 3.28Å; S1285-H1576 PolarHBondContact OG-ND1 3.09Å; S1285-H1576 PolarHBondContact OG-NE2 2.99Å; S1285-H1576 VanDerWaalsContact OG-NE2 3.13Å |
| 1286 | P | 82.6 | Confident | 82.1 | Confident | 51.2 Ų | 51.2 | 56.2 Ų | 56.2 | 33% | 0.332 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 131 | 172.2 | 26.9 | -33.4 | 0 | 0 | 0 | 110.3 | N1575 N1577 | P1286-N1575 HydrophobicContact CG-CB 3.64Å; P1286-N1575 VanDerWaalsContact CG-CG 3.43Å; P1286-N1577 PolarHBondContact O-ND2 2.99Å; P1286-N1577 VanDerWaalsContact O-ND2 3.13Å |
| 1287 | W | 82.6 | Confident | 82.2 | Confident | 57.4 Ų | 57.4 | 53.6 Ų | 53.6 | 22% | 0.217 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -84.7 | 131.7 | -179 | -166 | -90.9 | 0 | 0 | 0 | 111 | C1275 I1278 R1279 S1285 P1291 F1293 M1336 | C1275-W1287 HydrophobicContact CB-CH2 4.25Å; C1275-W1287 HydrophobicContact CB-CZ2 3.87Å; I1278-W1287 HydrophobicContact CB-CH2 4.1Å; I1278-W1287 HydrophobicContact CB-CZ3 4.25Å; I1278-W1287 HydrophobicContact CD1-CH2 4.45Å; I1278-W1287 HydrophobicContact CG2-CH2 3.83Å; I1278-W1287 HydrophobicContact CG2-CZ3 3.62Å; I1278-W1287 VanDerWaalsContact CG2-CZ3 3.48Å; R1279-W1287 HydrophobicContact CG-CD2 3.76Å; R1279-W1287 HydrophobicContact CG-CE3 3.54Å; R1279-W1287 VanDerWaalsContact CG-CE3 3.46Å; R1279-W1287 HydrophobicContact CG-CG 4.32Å; R1279-W1287 HydrophobicContact CG-CH2 4.19Å; R1279-W1287 HydrophobicContact CG-CZ2 4.37Å; R1279-W1287 HydrophobicContact CG-CZ3 3.81Å; R1279-W1287 VanDerWaalsContact CZ-CD1 3.49Å; R1279-W1287 VanDerWaalsContact NE-CD1 3.32Å; R1279-W1287 VanDerWaalsContact NE-CD2 3.34Å; R1279-W1287 VanDerWaalsContact NE-CG 3.28Å; R1279-W1287 VanDerWaalsContact NH2-CG 3.31Å; R1279-W1287 VanDerWaalsContact NH2-NE1 3.12Å; S1285-W1287 PolarHBondContact O-N 3.31Å; W1287-P1291 HydrophobicContact CZ2-CG 3.92Å; W1287-F1293 HydrophobicContact CH2-CZ 4.38Å; W1287-F1293 HydrophobicContact CZ2-CZ 4.25Å; W1287-M1336 HydrophobicContact CH2-CE 4.22Å; W1287-M1336 HydrophobicContact CZ2-CE 4.41Å; W1287-M1336 HydrophobicContact CZ3-CE 4.2Å |
| 1288 | P | 77.9 | Confident | 82.4 | Confident | 31.4 Ų | 31.4 | 52.7 Ų | 52.7 | 20% | 0.204 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 150.1 | 179.8 | 27.6 | -35.1 | 0 | 0 | 0 | 113.1 | Q1290 P1291 M1336 N1577 | P1288-Q1290 PolarHBondContact O-N 3.21Å; P1288-P1291 HydrophobicContact CG-CB 4.06Å; P1288-P1291 HydrophobicContact CG-CG 4.33Å; P1288-P1291 WeakPolarHBondContact O-CD 3.3Å; P1288-M1336 HydrophobicContact CB-CE 4.12Å; P1288-M1336 HydrophobicContact CB-SD 4.28Å; P1288-M1336 HydrophobicContact CG-CE 3.95Å; P1288-M1336 HydrophobicContact CG-SD 3.81Å; P1288-M1336 VanDerWaalsContact CG-SD 3.57Å; P1288-N1577 HydrophobicContact CG-CB 4.46Å |
| 1289 | D | 70.8 | Confident | 82.6 | Confident | 143.2 Ų | 143.2 | 54 Ų | 54 | 77% | 0.766 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -69.5 | 121 | 173.5 | -63.1 | -40.2 | 0 | 0 | 0 | 110.6 | ||
| 1290 | Q | 72.2 | Confident | 82.8 | Confident | 146.2 Ų | 146.2 | 48.1 Ų | 48.1 | 68% | 0.683 | 26% | 0.255 | S | S | * | . | S | Bend | trans | 49.1 | 67.6 | 179.7 | -59.9 | -174.2 | -6.1 | 0 | 0 | 114 | P1288 H1292 | P1288-Q1290 PolarHBondContact O-N 3.21Å; Q1290-H1292 PolarHBondContact O-N 3.14Å; Q1290-H1292 PolarHBondContact O-ND1 2.99Å |
| 1291 | P | 76.2 | Confident | 83 | Confident | 24.6 Ų | 24.6 | 46.8 Ų | 46.8 | 16% | 0.16 | 25% | 0.245 | C | C | . | . | trans | -68.2 | 134.3 | 177.9 | 29.9 | -33.7 | 0 | 0 | 0 | 110.7 | W1287 P1288 F1293 M1336 | W1287-P1291 HydrophobicContact CZ2-CG 3.92Å; P1288-P1291 HydrophobicContact CG-CB 4.06Å; P1288-P1291 HydrophobicContact CG-CG 4.33Å; P1288-P1291 WeakPolarHBondContact O-CD 3.3Å; P1291-F1293 HydrophobicContact CB-CE1 4.38Å; P1291-F1293 HydrophobicContact CB-CE2 3.69Å; P1291-F1293 HydrophobicContact CB-CZ 3.68Å; P1291-F1293 HydrophobicContact CG-CE2 3.89Å; P1291-F1293 HydrophobicContact CG-CZ 4.08Å; P1291-M1336 HydrophobicContact CB-CG 4.38Å; P1291-M1336 HydrophobicContact CB-SD 4.09Å | ||
| 1292 | H | 77.2 | Confident | 83.2 | Confident | 91.2 Ų | 91.2 | 47.1 Ų | 47.1 | 42% | 0.422 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 139.7 | 166.8 | -71.5 | -7.5 | 0 | 0 | 0 | 108.6 | Q1290 M1336 R1337 | Q1290-H1292 PolarHBondContact O-N 3.14Å; Q1290-H1292 PolarHBondContact O-ND1 2.99Å; H1292-M1336 CarbonylContact O-C 3.53Å; H1292-M1336 WeakPolarHBondContact O-CA 3.49Å; H1292-R1337 HydrophobicContact CB-CB 4.17Å; H1292-R1337 WeakPolarHBondContact O-CA 3.39Å; H1292-R1337 VanDerWaalsContact O-CB 3.3Å; H1292-R1337 WeakPolarHBondContact O-CB 3.4Å; H1292-R1337 PolarHBondContact O-N 3.05Å |
| 1293 | F | 80 | Confident | 83.4 | Confident | 25 Ų | 25 | 48.2 Ų | 48.2 | 11% | 0.11 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 139.3 | -178 | -59.5 | -87.3 | 0 | 0 | 0 | 112.1 | E1271 C1275 W1287 P1291 L1296 C1334 E1335 M1336 | E1271-F1293 HydrophobicContact CG-CD2 4.2Å; E1271-F1293 WeakPolarHBondContact OE1-CD2 3.26Å; E1271-F1293 PolarHBondContact OE1-N 3.31Å; C1275-F1293 WeakPolarHBondContact SG-CE2 3.26Å; W1287-F1293 HydrophobicContact CH2-CZ 4.38Å; W1287-F1293 HydrophobicContact CZ2-CZ 4.25Å; P1291-F1293 HydrophobicContact CB-CE1 4.38Å; P1291-F1293 HydrophobicContact CB-CE2 3.69Å; P1291-F1293 HydrophobicContact CB-CZ 3.68Å; P1291-F1293 HydrophobicContact CG-CE2 3.89Å; P1291-F1293 HydrophobicContact CG-CZ 4.08Å; F1293-L1296 HydrophobicContact CB-CB 3.8Å; F1293-L1296 HydrophobicContact CB-CD2 4.39Å; F1293-L1296 HydrophobicContact CB-CG 4.46Å; F1293-L1296 HydrophobicContact CD1-CD1 4.15Å; F1293-L1296 HydrophobicContact CD2-CD1 4.38Å; F1293-L1296 HydrophobicContact CD2-CD2 3.83Å; F1293-L1296 HydrophobicContact CD2-CG 4.47Å; F1293-L1296 HydrophobicContact CE1-CD1 4.31Å; F1293-L1296 HydrophobicContact CE2-CD2 4.35Å; F1293-L1296 HydrophobicContact CG-CB 4.17Å; F1293-L1296 HydrophobicContact CG-CD1 4.14Å; F1293-L1296 HydrophobicContact CG-CD2 4.14Å; F1293-L1296 HydrophobicContact CG-CG 4.37Å; F1293-L1296 HydrophobicContact CZ-CD1 4.45Å; F1293-C1334 HydrophobicContact CD1-CB 3.79Å; F1293-C1334 HydrophobicContact CE1-CB 3.92Å; F1293-E1335 CarbonylContact C-O 3.51Å; F1293-E1335 WeakPolarHBondContact CA-O 3.39Å; F1293-M1336 HydrophobicContact CD1-CB 4.29Å; F1293-M1336 HydrophobicContact CD1-CG 4.03Å; F1293-M1336 HydrophobicContact CE1-CB 4.13Å; F1293-M1336 HydrophobicContact CE1-CE 3.75Å; F1293-M1336 HydrophobicContact CE1-CG 3.75Å; F1293-M1336 VanDerWaalsContact CE1-CG 3.41Å; F1293-M1336 HydrophobicContact CE1-SD 4.38Å; F1293-M1336 HydrophobicContact CZ-CE 4.04Å; F1293-M1336 HydrophobicContact CZ-CG 4.27Å |
| 1294 | Q | 78.1 | Confident | 83.9 | Confident | 64.8 Ų | 64.8 | 46.1 Ų | 46.1 | 30% | 0.303 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | -42.4 | 168.7 | 179.1 | 100.9 | 27.9 | 0 | 0 | 110.9 | E1335 R1337 H1379 | Q1294-E1335 HydrophobicContact CB-CB 4.39Å; Q1294-E1335 HydrophobicContact CB-CG 4.42Å; Q1294-E1335 PolarHBondContact N-O 3.3Å; Q1294-R1337 HydrophobicContact CB-CG 4.05Å; Q1294-R1337 VanDerWaalsContact OE1-CZ 3.26Å; Q1294-R1337 VanDerWaalsContact OE1-NH2 3.17Å; Q1294-H1379 HydrophobicContact CG-CB 4.14Å; Q1294-H1379 PolarHBondContact OE1-ND1 2.79Å |
| 1295 | T | 83.8 | Confident | 84.5 | Confident | 47 Ų | 47 | 44.6 Ų | 44.6 | 29% | 0.288 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 126.1 | 177.1 | -55.7 | 0 | 0 | 0 | 0 | 106.5 | C1334 E1335 L1383 | T1295-C1334 CarbonylContact O-C 3.43Å; T1295-C1334 WeakPolarHBondContact O-CA 3.45Å; T1295-E1335 WeakPolarHBondContact CB-OE2 3.12Å; T1295-E1335 PolarHBondContact O-N 2.99Å; T1295-E1335 PolarHBondContact OG1-OE2 3.13Å; T1295-E1335 VanDerWaalsContact OG1-OE2 3.04Å; T1295-L1383 HydrophobicContact CG2-CD1 4.3Å |
| 1296 | L | 88.2 | Confident | 84.8 | Confident | 35.2 Ų | 35.2 | 47.9 Ų | 47.9 | 18% | 0.184 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 122.8 | 176.5 | -176.2 | 66.9 | 0 | 0 | 0 | 109.1 | E1271 L1274 I1278 F1293 G1333 C1334 | E1271-L1296 HydrophobicContact CB-CD2 4.37Å; E1271-L1296 HydrophobicContact CG-CD2 3.96Å; L1274-L1296 HydrophobicContact CB-CD1 4.29Å; L1274-L1296 HydrophobicContact CB-CD2 3.66Å; L1274-L1296 HydrophobicContact CB-CG 3.95Å; L1274-L1296 HydrophobicContact CD1-CD2 3.84Å; L1274-L1296 HydrophobicContact CD1-CG 3.83Å; L1274-L1296 HydrophobicContact CG-CD2 4.37Å; L1274-L1296 HydrophobicContact CG-CG 4.39Å; I1278-L1296 HydrophobicContact CD1-CD1 3.61Å; F1293-L1296 HydrophobicContact CB-CB 3.8Å; F1293-L1296 HydrophobicContact CB-CD2 4.39Å; F1293-L1296 HydrophobicContact CB-CG 4.46Å; F1293-L1296 HydrophobicContact CD1-CD1 4.15Å; F1293-L1296 HydrophobicContact CD2-CD1 4.38Å; F1293-L1296 HydrophobicContact CD2-CD2 3.83Å; F1293-L1296 HydrophobicContact CD2-CG 4.47Å; F1293-L1296 HydrophobicContact CE1-CD1 4.31Å; F1293-L1296 HydrophobicContact CE2-CD2 4.35Å; F1293-L1296 HydrophobicContact CG-CB 4.17Å; F1293-L1296 HydrophobicContact CG-CD1 4.14Å; F1293-L1296 HydrophobicContact CG-CD2 4.14Å; F1293-L1296 HydrophobicContact CG-CG 4.37Å; F1293-L1296 HydrophobicContact CZ-CD1 4.45Å; L1296-G1333 WeakPolarHBondContact CA-O 3.31Å; L1296-C1334 HydrophobicContact CD1-CB 3.59Å |
| 1297 | W | 90.9 | Very high | 85.1 | Confident | 63.4 Ų | 63.4 | 47.5 Ų | 47.5 | 24% | 0.24 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 152.2 | 175.9 | 55.9 | -91.4 | 0 | 0 | 0 | 110.6 | R1299 F1331 A1332 G1333 Y1385 | W1297-R1299 HydrophobicContact CE3-CG 4.35Å; W1297-F1331 AromaticContact CH2-CD1 3.66Å; W1297-F1331 HydrophobicContact CH2-CD1 3.66Å; W1297-F1331 AromaticContact CH2-CE1 3.56Å; W1297-F1331 HydrophobicContact CH2-CE1 3.56Å; W1297-F1331 VanDerWaalsContact CH2-CE1 3.48Å; W1297-F1331 HydrophobicContact CH2-CZ 4.38Å; W1297-F1331 AromaticContact CZ3-CD1 3.78Å; W1297-F1331 HydrophobicContact CZ3-CD1 3.78Å; W1297-F1331 HydrophobicContact CZ3-CE1 4.18Å; W1297-F1331 HydrophobicContact CZ3-CG 4.49Å; W1297-A1332 CarbonylContact O-C 3.54Å; W1297-A1332 VanDerWaalsContact O-CA 3.24Å; W1297-A1332 WeakPolarHBondContact O-CA 3.3Å; W1297-A1332 VanDerWaalsContact O-CB 3.27Å; W1297-A1332 WeakPolarHBondContact O-CB 3.39Å; W1297-G1333 PolarHBondContact N-O 3.2Å; W1297-G1333 VanDerWaalsContact N-O 3.08Å; W1297-G1333 PolarHBondContact O-N 3.21Å; W1297-Y1385 HydrophobicContact CZ2-CE1 4.33Å |
| 1298 | C | 91.6 | Very high | 85.6 | Confident | 1.4 Ų | 1.4 | 46 Ų | 46 | 1% | 0.009 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 141.2 | 171.9 | -176.8 | 0 | 0 | 0 | 0 | 109.4 | F1268 L1274 F1331 A1332 | F1268-C1298 HydrophobicContact CB-CB 4.13Å; F1268-C1298 WeakPolarHBondContact CB-O 3.41Å; F1268-C1298 HydrophobicContact CD1-CB 4.03Å; F1268-C1298 VanDerWaalsContact CD1-SG 3.58Å; F1268-C1298 WeakPolarHBondContact CD1-SG 3.39Å; F1268-C1298 HydrophobicContact CG-CB 4.13Å; L1274-C1298 HydrophobicContact CD2-CB 3.23Å; C1298-F1331 CarbonylContact C-O 3.57Å; C1298-F1331 WeakPolarHBondContact CA-O 3.43Å; C1298-A1332 HydrophobicContact CB-CB 3.81Å |
| 1299 | R | 92.5 | Very high | 86.3 | Confident | 29.6 Ų | 29.6 | 47.1 Ų | 47.1 | 11% | 0.112 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 154.3 | 176.8 | -64.1 | -65.5 | 176.1 | -123 | 7.4 | 109.4 | W1142 V1262 F1263 A1264 W1297 V1301 F1331 | W1142-R1299 VanDerWaalsContact CZ3-NH2 3.32Å; V1262-R1299 HydrophobicContact CG1-CB 3.74Å; V1262-R1299 HydrophobicContact CG1-CG 3.8Å; F1263-R1299 WeakPolarHBondContact O-CA 3.38Å; F1263-R1299 VanDerWaalsContact O-CD 3.27Å; F1263-R1299 WeakPolarHBondContact O-CD 3.37Å; A1264-R1299 VanDerWaalsContact CB-CZ 3.4Å; W1297-R1299 HydrophobicContact CE3-CG 4.35Å; R1299-V1301 HydrophobicContact CB-CG2 4.41Å; R1299-F1331 PolarHBondContact N-O 3.01Å; R1299-F1331 PolarHBondContact O-N 3.1Å; R1299-F1331 VanDerWaalsContact O-O 3.08Å |
| 1300 | Y | 91.8 | Very high | 87.4 | Confident | 4.8 Ų | 4.8 | 40.4 Ų | 40.4 | 2% | 0.019 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 131 | 160.7 | -172.2 | -82.9 | 0 | 0 | 0 | 107.7 | I1084 V1262 F1263 D1302 A1328 G1329 R1330 S1391 A1392 | I1084-Y1300 HydrophobicContact CD1-CD1 4Å; I1084-Y1300 HydrophobicContact CD1-CE1 3.7Å; I1084-Y1300 HydrophobicContact CG1-CE1 4.21Å; I1084-Y1300 HydrophobicContact CG2-CD1 4.28Å; I1084-Y1300 HydrophobicContact CG2-CD2 3.89Å; I1084-Y1300 HydrophobicContact CG2-CE1 4.08Å; I1084-Y1300 HydrophobicContact CG2-CE2 3.65Å; I1084-Y1300 HydrophobicContact CG2-CG 4.19Å; V1262-Y1300 CarbonylContact C-O 3.5Å; V1262-Y1300 WeakPolarHBondContact CA-O 3.39Å; F1263-Y1300 AromaticContact CD2-CD1 3.92Å; F1263-Y1300 HydrophobicContact CD2-CD1 3.92Å; F1263-Y1300 HydrophobicContact CE2-CD1 4.39Å; F1263-Y1300 PolarHBondContact N-O 3.14Å; F1263-Y1300 PolarHBondContact O-N 3.22Å; Y1300-D1302 HydrophobicContact CE1-CB 4.4Å; Y1300-A1328 HydrophobicContact CE1-CB 4.42Å; Y1300-G1329 WeakPolarHBondContact CA-O 3.35Å; Y1300-G1329 VanDerWaalsContact CE2-CA 3.5Å; Y1300-R1330 HydrophobicContact CD2-CG 4.24Å; Y1300-S1391 WeakPolarHBondContact CE2-O 3.17Å; Y1300-S1391 PolarHBondContact OH-O 3.21Å; Y1300-S1391 VanDerWaalsContact OH-O 3.08Å; Y1300-A1392 HydrophobicContact CE2-CB 4.37Å; Y1300-A1392 VanDerWaalsContact OH-CB 3.3Å; Y1300-A1392 WeakPolarHBondContact OH-CB 3.47Å |
| 1301 | V | 91.3 | Very high | 88.3 | Confident | 23.4 Ų | 23.4 | 35.8 Ų | 35.8 | 14% | 0.142 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 139.6 | -177.1 | -178.9 | 0 | 0 | 0 | 0 | 108.2 | L1260 K1261 V1262 R1299 A1328 G1329 F1331 | L1260-V1301 HydrophobicContact CD1-CG1 3.53Å; L1260-V1301 VanDerWaalsContact CD1-CG1 3.48Å; K1261-V1301 CarbonylContact O-C 3.51Å; K1261-V1301 WeakPolarHBondContact O-CA 3.37Å; V1262-V1301 HydrophobicContact CG1-CG2 4.46Å; R1299-V1301 HydrophobicContact CB-CG2 4.41Å; V1301-A1328 CarbonylContact O-C 3.52Å; V1301-A1328 VanDerWaalsContact O-CA 3.23Å; V1301-A1328 WeakPolarHBondContact O-CA 3.36Å; V1301-A1328 WeakPolarHBondContact O-CB 3.37Å; V1301-G1329 PolarHBondContact N-O 3.14Å; V1301-G1329 PolarHBondContact O-N 3.04Å; V1301-F1331 HydrophobicContact CG2-CB 4Å; V1301-F1331 HydrophobicContact CG2-CD1 4.49Å |
| 1302 | D | 90.4 | Very high | 89 | Confident | 6 Ų | 6 | 34.7 Ų | 34.7 | 3% | 0.032 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 106 | 169.9 | -177.6 | -6 | 0 | 0 | 0 | 107.9 | K1261 Y1300 N1304 R1326 V1327 A1328 | K1261-D1302 HydrophobicContact CB-CB 4.25Å; K1261-D1302 HydrophobicContact CD-CB 4.34Å; K1261-D1302 PolarHBondContact N-O 3.19Å; K1261-D1302 IonicContact NZ-OD2 3.29Å; K1261-D1302 PolarHBondContact O-N 3.29Å; Y1300-D1302 HydrophobicContact CE1-CB 4.4Å; D1302-N1304 PolarHBondContact OD1-ND2 3.1Å; D1302-R1326 IonicContact OD1-CZ 2.81Å; D1302-R1326 IonicContact OD1-NE 3.26Å; D1302-R1326 PolarHBondContact OD1-NE 3.28Å; D1302-R1326 IonicContact OD1-NH2 3.42Å; D1302-R1326 PolarHBondContact OD1-NH2 3.14Å; D1302-R1326 IonicContact OD2-CZ 3.26Å; D1302-R1326 IonicContact OD2-NE 3.16Å; D1302-R1326 IonicContact OD2-NH2 2.96Å; D1302-R1326 PolarHBondContact OD2-NH2 3.05Å; D1302-R1326 VanDerWaalsContact OD2-NH2 3.09Å; D1302-V1327 CarbonylContact C-O 3.49Å; D1302-V1327 WeakPolarHBondContact CA-O 3.32Å; D1302-A1328 HydrophobicContact CB-CB 3.98Å |
| 1303 | L | 90.9 | Very high | 89.5 | Confident | 29.4 Ų | 29.4 | 32.8 Ų | 32.8 | 15% | 0.154 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 125.7 | -177.9 | 169.1 | 64.1 | 0 | 0 | 0 | 108.9 | M1258 D1259 L1260 F1305 R1326 V1327 | M1258-L1303 HydrophobicContact CE-CD1 3.48Å; M1258-L1303 VanDerWaalsContact CE-CD1 3.46Å; M1258-L1303 HydrophobicContact CE-CD2 4.46Å; M1258-L1303 HydrophobicContact CG-CD1 3.64Å; M1258-L1303 HydrophobicContact SD-CD1 4.4Å; D1259-L1303 CarbonylContact O-C 3.47Å; D1259-L1303 WeakPolarHBondContact O-CA 3.44Å; L1260-L1303 HydrophobicContact CB-CD1 4.03Å; L1260-L1303 HydrophobicContact CD1-CB 3.98Å; L1260-L1303 HydrophobicContact CD1-CD1 4.27Å; L1303-F1305 HydrophobicContact CD2-CD1 4.38Å; L1303-F1305 HydrophobicContact CD2-CE1 4.46Å; L1303-F1305 HydrophobicContact CG-CD1 4.17Å; L1303-R1326 CarbonylContact O-C 3.52Å; L1303-R1326 VanDerWaalsContact O-CA 3.28Å; L1303-R1326 WeakPolarHBondContact O-CA 3.26Å; L1303-V1327 HydrophobicContact CB-CB 4.26Å; L1303-V1327 HydrophobicContact CD2-CB 4.46Å; L1303-V1327 HydrophobicContact CD2-CG2 4.43Å; L1303-V1327 PolarHBondContact N-O 3.05Å; L1303-V1327 PolarHBondContact O-N 3.15Å |
| 1304 | N | 90.4 | Very high | 89.6 | Confident | 38.6 Ų | 38.6 | 33.9 Ų | 33.9 | 21% | 0.206 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 144.3 | 173.8 | -53.9 | -79.5 | 0 | 0 | 0 | 109 | M1258 D1259 K1261 D1302 G1325 R1326 | M1258-N1304 CarbonylContact C-O 3.52Å; M1258-N1304 WeakPolarHBondContact CA-O 3.37Å; D1259-N1304 HydrophobicContact CB-CB 4.37Å; D1259-N1304 PolarHBondContact N-O 3.23Å; D1259-N1304 PolarHBondContact O-N 3.14Å; D1259-N1304 PolarHBondContact O-ND2 3.22Å; K1261-N1304 PolarHBondContact NZ-ND2 3.18Å; D1302-N1304 PolarHBondContact OD1-ND2 3.1Å; N1304-G1325 CarbonylContact C-O 3.56Å; N1304-G1325 WeakPolarHBondContact CA-O 3.37Å; N1304-R1326 WeakPolarHBondContact OD1-CD 3.34Å; N1304-R1326 WeakPolarHBondContact OD1-CG 3.27Å; N1304-R1326 PolarHBondContact OD1-NE 3.09Å |
| 1305 | F | 90.2 | Very high | 90.1 | Very high | 10.6 Ų | 10.6 | 31.5 Ų | 31.5 | 5% | 0.046 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 150.8 | 175.1 | 57.5 | -91.7 | 0 | 0 | 0 | 110.8 | F1255 L1303 M1308 I1322 G1325 V1327 F1416 | F1255-F1305 HydrophobicContact CD1-CB 4.4Å; F1255-F1305 HydrophobicContact CD1-CD1 4.34Å; F1255-F1305 HydrophobicContact CD1-CD2 4.45Å; F1255-F1305 HydrophobicContact CD1-CG 4.26Å; L1303-F1305 HydrophobicContact CD2-CD1 4.38Å; L1303-F1305 HydrophobicContact CD2-CE1 4.46Å; L1303-F1305 HydrophobicContact CG-CD1 4.17Å; F1305-M1308 HydrophobicContact CD2-CB 3.95Å; F1305-M1308 HydrophobicContact CE2-CB 3.54Å; F1305-M1308 VanDerWaalsContact CE2-CB 3.46Å; F1305-M1308 HydrophobicContact CZ-CB 4.14Å; F1305-I1322 HydrophobicContact CE2-CB 4.13Å; F1305-I1322 HydrophobicContact CE2-CG2 3.84Å; F1305-I1322 HydrophobicContact CZ-CB 4.45Å; F1305-I1322 HydrophobicContact CZ-CG2 4.03Å; F1305-G1325 WeakPolarHBondContact CD1-O 3.31Å; F1305-G1325 PolarHBondContact N-O 3.04Å; F1305-G1325 PolarHBondContact O-N 3.22Å; F1305-V1327 HydrophobicContact CE1-CG2 4.41Å; F1305-F1416 HydrophobicContact CZ-CE1 4.27Å |
| 1306 | N | 90.2 | Very high | 90.2 | Very high | 81.6 Ų | 81.6 | 32.4 Ų | 32.4 | 44% | 0.436 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | -43 | 178.6 | -71.8 | 5 | 0 | 0 | 0 | 111.5 | E1256 A1257 K1323 D1324 | E1256-N1306 HydrophobicContact CB-CB 4.31Å; E1256-N1306 HydrophobicContact CG-CB 4.4Å; E1256-N1306 PolarHBondContact O-N 3.13Å; A1257-N1306 HydrophobicContact CB-CB 4.23Å; A1257-N1306 WeakPolarHBondContact CB-ND2 3.26Å; N1306-K1323 CarbonylContact O-C 3.55Å; N1306-K1323 WeakPolarHBondContact O-CA 3.33Å; N1306-D1324 PolarHBondContact O-N 2.95Å |
| 1307 | E | 90.2 | Very high | 90.1 | Very high | 43 Ų | 43 | 31.4 Ų | 31.4 | 20% | 0.201 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 139.5 | 179 | -178.7 | 169.5 | -168.4 | 0 | 0 | 110.6 | F1255 E1256 F1309 I1322 K1323 | F1255-E1307 CarbonylContact C-O 3.53Å; F1255-E1307 VanDerWaalsContact CA-O 3.26Å; F1255-E1307 WeakPolarHBondContact CA-O 3.32Å; E1256-E1307 HydrophobicContact CB-CB 4.09Å; E1256-E1307 HydrophobicContact CG-CB 4.03Å; E1256-E1307 HydrophobicContact CG-CG 4.47Å; E1256-E1307 PolarHBondContact N-O 3.12Å; E1307-F1309 HydrophobicContact CG-CB 4.34Å; E1307-F1309 WeakPolarHBondContact OE1-CD2 3.21Å; E1307-I1322 CarbonylContact C-O 3.55Å; E1307-I1322 VanDerWaalsContact CA-O 3.24Å; E1307-I1322 WeakPolarHBondContact CA-O 3.37Å; E1307-K1323 HydrophobicContact CB-CD 4.15Å; E1307-K1323 HydrophobicContact CG-CD 3.92Å; E1307-K1323 HydrophobicContact CG-CG 4.43Å; E1307-K1323 WeakPolarHBondContact OE1-CE 3.44Å; E1307-K1323 IonicContact OE1-NZ 3.44Å; E1307-K1323 PolarHBondContact OE1-NZ 3.17Å; E1307-K1323 IonicContact OE2-NZ 3.22Å; E1307-K1323 PolarHBondContact OE2-NZ 2.97Å |
| 1308 | M | 92.5 | Very high | 90.1 | Very high | 25.2 Ų | 25.2 | 29.3 Ų | 29.3 | 12% | 0.124 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 117.2 | 163.9 | 179.3 | -168.2 | 107.2 | 0 | 0 | 108.6 | C1253 S1254 F1255 F1305 M1320 D1321 I1322 | C1253-M1308 WeakPolarHBondContact SG-CE 3.37Å; S1254-M1308 CarbonylContact O-C 3.53Å; S1254-M1308 VanDerWaalsContact O-CA 3.3Å; S1254-M1308 WeakPolarHBondContact O-CA 3.44Å; F1255-M1308 HydrophobicContact CD1-CB 3.85Å; F1255-M1308 HydrophobicContact CD1-CG 3.81Å; F1255-M1308 HydrophobicContact CD1-SD 4.33Å; F1255-M1308 HydrophobicContact CE1-CB 3.89Å; F1255-M1308 HydrophobicContact CE1-CE 4.1Å; F1255-M1308 HydrophobicContact CE1-CG 3.45Å; F1255-M1308 VanDerWaalsContact CE1-CG 3.42Å; F1255-M1308 HydrophobicContact CE1-SD 3.46Å; F1255-M1308 WeakPolarHBondContact CE1-SD 3.36Å; F1255-M1308 HydrophobicContact CE2-CE 4.39Å; F1255-M1308 HydrophobicContact CE2-CG 4.41Å; F1255-M1308 HydrophobicContact CG-CG 4.4Å; F1255-M1308 HydrophobicContact CZ-CE 3.94Å; F1255-M1308 HydrophobicContact CZ-CG 3.78Å; F1255-M1308 HydrophobicContact CZ-SD 3.64Å; F1255-M1308 VanDerWaalsContact CZ-SD 3.52Å; F1305-M1308 HydrophobicContact CD2-CB 3.95Å; F1305-M1308 HydrophobicContact CE2-CB 3.54Å; F1305-M1308 VanDerWaalsContact CE2-CB 3.46Å; F1305-M1308 HydrophobicContact CZ-CB 4.14Å; M1308-M1320 HydrophobicContact CE-CB 4.13Å; M1308-M1320 HydrophobicContact CE-CE 3.3Å; M1308-M1320 VanDerWaalsContact CE-CE 3.44Å; M1308-M1320 HydrophobicContact CE-CG 3.94Å; M1308-M1320 HydrophobicContact CE-SD 3.69Å; M1308-M1320 WeakPolarHBondContact CE-SD 3.26Å; M1308-M1320 HydrophobicContact CG-CE 4.4Å; M1308-M1320 HydrophobicContact SD-CE 3.77Å; M1308-M1320 WeakPolarHBondContact SD-CE 3.47Å; M1308-D1321 WeakPolarHBondContact O-CA 3.33Å; M1308-I1322 HydrophobicContact CB-CB 4.29Å; M1308-I1322 HydrophobicContact CE-CB 4.31Å; M1308-I1322 HydrophobicContact CE-CD1 3.38Å; M1308-I1322 VanDerWaalsContact CE-CD1 3.42Å; M1308-I1322 HydrophobicContact CE-CG1 3.78Å; M1308-I1322 PolarHBondContact N-O 3.05Å; M1308-I1322 PolarHBondContact O-N 3.11Å; M1308-I1322 HydrophobicContact SD-CD1 4.21Å |
| 1309 | F | 93.1 | Very high | 90.2 | Very high | 55 Ų | 55 | 31.6 Ų | 31.6 | 24% | 0.241 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 126.9 | -175 | -172.1 | -97.5 | 0 | 0 | 0 | 110.5 | C1253 S1254 E1307 Q1311 P1318 M1320 D1321 | C1253-F1309 CarbonylContact C-O 3.54Å; C1253-F1309 WeakPolarHBondContact CA-O 3.34Å; S1254-F1309 PolarHBondContact N-O 3.04Å; S1254-F1309 PolarHBondContact O-N 3.03Å; S1254-F1309 PolarHBondContact OG-O 3.24Å; E1307-F1309 HydrophobicContact CG-CB 4.34Å; E1307-F1309 WeakPolarHBondContact OE1-CD2 3.21Å; F1309-Q1311 HydrophobicContact CD1-CB 4.41Å; F1309-Q1311 HydrophobicContact CE1-CB 3.82Å; F1309-Q1311 HydrophobicContact CE1-CG 4.39Å; F1309-Q1311 HydrophobicContact CZ-CB 4.47Å; F1309-P1318 HydrophobicContact CD2-CB 4.29Å; F1309-P1318 HydrophobicContact CE2-CB 3.53Å; F1309-P1318 HydrophobicContact CE2-CG 4.08Å; F1309-P1318 HydrophobicContact CZ-CB 3.75Å; F1309-P1318 HydrophobicContact CZ-CG 4.46Å; F1309-M1320 CarbonylContact C-O 3.58Å; F1309-M1320 WeakPolarHBondContact CA-O 3.5Å; F1309-D1321 HydrophobicContact CD2-CB 4.21Å; F1309-D1321 HydrophobicContact CE2-CB 4.42Å |
| 1310 | A | 93.6 | Very high | 90.2 | Very high | 2.2 Ų | 2.2 | 32.1 Ų | 32.1 | 2% | 0.018 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 124.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | F1251 R1252 C1253 Y1319 M1320 | F1251-A1310 HydrophobicContact CE2-CB 4.17Å; F1251-A1310 HydrophobicContact CZ-CB 4.16Å; R1252-A1310 CarbonylContact O-C 3.53Å; R1252-A1310 VanDerWaalsContact O-CA 3.3Å; R1252-A1310 WeakPolarHBondContact O-CA 3.26Å; C1253-A1310 HydrophobicContact CB-CB 4.43Å; A1310-Y1319 HydrophobicContact CB-CD1 4.4Å; A1310-Y1319 WeakPolarHBondContact O-CA 3.4Å; A1310-Y1319 WeakPolarHBondContact O-CB 3.33Å; A1310-Y1319 PolarHBondContact O-N 3.01Å; A1310-M1320 HydrophobicContact CB-CB 4Å; A1310-M1320 HydrophobicContact CB-CE 4.37Å; A1310-M1320 PolarHBondContact N-O 3.15Å; A1310-M1320 PolarHBondContact O-N 2.94Å |
| 1311 | Q | 91.4 | Very high | 90.3 | Very high | 50.4 Ų | 50.4 | 33.3 Ų | 33.3 | 24% | 0.236 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 137.9 | -178.5 | -167.2 | 153.6 | 30.5 | 0 | 0 | 110.9 | R1247 F1251 R1252 F1309 D1314 Y1315 L1317 | R1247-Q1311 VanDerWaalsContact NH2-OE1 3.07Å; F1251-Q1311 WeakPolarHBondContact CA-O 3.37Å; F1251-Q1311 WeakPolarHBondContact CD2-O 3.22Å; R1252-Q1311 PolarHBondContact N-O 3.21Å; R1252-Q1311 PolarHBondContact O-N 2.97Å; F1309-Q1311 HydrophobicContact CD1-CB 4.41Å; F1309-Q1311 HydrophobicContact CE1-CB 3.82Å; F1309-Q1311 HydrophobicContact CE1-CG 4.39Å; F1309-Q1311 HydrophobicContact CZ-CB 4.47Å; Q1311-D1314 PolarHBondContact NE2-O 3.2Å; Q1311-Y1315 PolarHBondContact NE2-O 3.16Å; Q1311-Y1315 VanDerWaalsContact NE2-O 3.11Å; Q1311-L1317 PolarHBondContact NE2-O 2.83Å |
| 1312 | M | 90.6 | Very high | 90.3 | Very high | 1.8 Ų | 1.8 | 32.5 Ų | 32.5 | 1% | 0.009 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 127.3 | 170.3 | -69.6 | -177.7 | -127 | 0 | 0 | 108.6 | L1250 F1251 D1314 Y1315 Y1319 W1427 L1431 I1434 | L1250-M1312 WeakPolarHBondContact O-CA 3.22Å; F1251-M1312 HydrophobicContact CD2-CG 3.89Å; F1251-M1312 HydrophobicContact CE2-CE 4.41Å; F1251-M1312 HydrophobicContact CE2-CG 4.38Å; M1312-D1314 PolarHBondContact O-N 3.08Å; M1312-D1314 VanDerWaalsContact O-N 3.14Å; M1312-Y1315 HydrophobicContact CB-CD2 3.84Å; M1312-Y1315 HydrophobicContact CB-CE2 4.11Å; M1312-Y1315 HydrophobicContact CE-CD2 4.45Å; M1312-Y1315 WeakPolarHBondContact O-CB 3.38Å; M1312-Y1315 WeakPolarHBondContact O-CD2 3.41Å; M1312-Y1315 PolarHBondContact O-N 3.08Å; M1312-Y1315 VanDerWaalsContact O-N 3.12Å; M1312-Y1319 HydrophobicContact CE-CD1 3.89Å; M1312-Y1319 HydrophobicContact CE-CD2 3.4Å; M1312-Y1319 HydrophobicContact CE-CE1 4.16Å; M1312-Y1319 HydrophobicContact CE-CE2 3.89Å; M1312-Y1319 HydrophobicContact CE-CG 3.72Å; M1312-Y1319 VanDerWaalsContact CE-CG 3.45Å; M1312-Y1319 HydrophobicContact SD-CD2 4.33Å; M1312-W1427 HydrophobicContact CE-CB 3.81Å; M1312-W1427 HydrophobicContact CE-CD2 3.44Å; M1312-W1427 VanDerWaalsContact CE-CD2 3.49Å; M1312-W1427 HydrophobicContact CE-CE3 3.2Å; M1312-W1427 HydrophobicContact CE-CG 3.75Å; M1312-W1427 HydrophobicContact CE-CH2 4.43Å; M1312-W1427 HydrophobicContact CE-CZ3 3.82Å; M1312-W1427 HydrophobicContact SD-CB 4.5Å; M1312-W1427 HydrophobicContact SD-CE3 4.34Å; M1312-L1431 HydrophobicContact CE-CD2 3.33Å; M1312-L1431 HydrophobicContact CE-CG 3.88Å; M1312-L1431 HydrophobicContact SD-CD2 3.93Å; M1312-L1431 VanDerWaalsContact SD-CD2 3.54Å; M1312-L1431 HydrophobicContact SD-CG 4.1Å; M1312-I1434 HydrophobicContact CE-CD1 4.27Å; M1312-I1434 HydrophobicContact CG-CD1 3.89Å; M1312-I1434 HydrophobicContact SD-CD1 3.98Å |
| 1313 | R | 87.4 | Confident | 90.3 | Very high | 51 Ų | 51 | 35.4 Ų | 35.4 | 19% | 0.192 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44.4 | -127.8 | -179.8 | -69.1 | -173 | 161.3 | -176 | -5.8 | 112.5 | D1171 E1175 R1247 S1249 L1250 Y1315 M1433 | D1171-R1313 IonicContact OD1-CZ 3.94Å; D1171-R1313 IonicContact OD1-NE 2.74Å; D1171-R1313 IonicContact OD1-NH2 3.34Å; D1171-R1313 PolarHBondContact OD1-NH2 3.16Å; D1171-R1313 VanDerWaalsContact OD1-NH2 3.1Å; D1171-R1313 IonicContact OD2-CZ 3.02Å; D1171-R1313 VanDerWaalsContact OD2-CZ 3.27Å; D1171-R1313 IonicContact OD2-NE 3.39Å; D1171-R1313 PolarHBondContact OD2-NE 2.97Å; D1171-R1313 IonicContact OD2-NH2 3.02Å; D1171-R1313 PolarHBondContact OD2-NH2 2.9Å; E1175-R1313 IonicContact OE1-NH2 2.83Å; E1175-R1313 IonicContact OE2-CZ 3.58Å; E1175-R1313 IonicContact OE2-NH1 3Å; E1175-R1313 PolarHBondContact OE2-NH1 3.33Å; E1175-R1313 IonicContact OE2-NH2 2.95Å; E1175-R1313 PolarHBondContact OE2-NH2 3.17Å; R1247-R1313 VanDerWaalsContact NH2-CG 3.26Å; R1247-R1313 PolarHBondContact NH2-O 3.39Å; S1249-R1313 WeakPolarHBondContact O-CA 3.33Å; L1250-R1313 HydrophobicContact CD1-CG 4.02Å; L1250-R1313 PolarHBondContact O-N 3.13Å; R1313-Y1315 HydrophobicContact CB-CD1 4.32Å; R1313-Y1315 HydrophobicContact CB-CE1 4.36Å; R1313-Y1315 HydrophobicContact CB-CE2 4.39Å; R1313-Y1315 HydrophobicContact CB-CG 4.47Å; R1313-M1433 PolarHBondContact NH2-SD 3.31Å |
| 1314 | D | 82.9 | Confident | 90.1 | Very high | 48.2 Ų | 48.2 | 37.6 Ų | 37.6 | 26% | 0.258 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 11.7 | 175.8 | 63.1 | -40.9 | 0 | 0 | 0 | 112.5 | R1179 R1247 Q1311 M1312 Y1484 | R1179-D1314 WeakPolarHBondContact CD-OD2 3.19Å; R1179-D1314 IonicContact CZ-OD1 2.8Å; R1179-D1314 IonicContact CZ-OD2 3.47Å; R1179-D1314 IonicContact NE-OD1 3.09Å; R1179-D1314 PolarHBondContact NE-OD1 3.01Å; R1179-D1314 IonicContact NE-OD2 2.84Å; R1179-D1314 PolarHBondContact NE-OD2 3.06Å; R1179-D1314 VanDerWaalsContact NH2-CG 3.29Å; R1179-D1314 IonicContact NH2-OD1 3.1Å; R1179-D1314 PolarHBondContact NH2-OD1 3.48Å; R1179-D1314 IonicContact NH2-OD2 3.36Å; R1179-D1314 PolarHBondContact NH2-OD2 3.32Å; R1247-D1314 VanDerWaalsContact CZ-CB 3.4Å; R1247-D1314 VanDerWaalsContact CZ-CG 3.47Å; R1247-D1314 VanDerWaalsContact CZ-N 3.31Å; R1247-D1314 IonicContact CZ-OD1 3Å; R1247-D1314 VanDerWaalsContact NH1-CB 3.27Å; R1247-D1314 IonicContact NH1-OD1 3.67Å; R1247-D1314 PolarHBondContact NH1-OD1 3.04Å; R1247-D1314 IonicContact NH1-OD2 3.82Å; R1247-D1314 PolarHBondContact NH1-OD2 3.39Å; R1247-D1314 IonicContact NH2-OD1 3.25Å; R1247-D1314 PolarHBondContact NH2-OD1 2.79Å; Q1311-D1314 PolarHBondContact NE2-O 3.2Å; M1312-D1314 PolarHBondContact O-N 3.08Å; M1312-D1314 VanDerWaalsContact O-N 3.14Å; D1314-Y1484 HydrophobicContact CB-CE1 4.45Å; D1314-Y1484 VanDerWaalsContact CG-CE1 3.47Å; D1314-Y1484 VanDerWaalsContact CG-OH 3.24Å; D1314-Y1484 PolarHBondContact OD1-OH 3.09Å; D1314-Y1484 VanDerWaalsContact OD2-CE1 3.3Å; D1314-Y1484 WeakPolarHBondContact OD2-CE1 3.41Å; D1314-Y1484 PolarHBondContact OD2-OH 2.86Å |
| 1315 | Y | 88.3 | Confident | 90 | Very high | 13.4 Ų | 13.4 | 35.9 Ų | 35.9 | 5% | 0.053 | 18% | 0.179 | C | C | . | . | trans | -64.3 | 138.9 | -171.1 | -60 | -28.2 | 0 | 0 | 0 | 110.3 | Q1311 M1312 R1313 L1317 W1427 C1430 P1483 Y1484 | Q1311-Y1315 PolarHBondContact NE2-O 3.16Å; Q1311-Y1315 VanDerWaalsContact NE2-O 3.11Å; M1312-Y1315 HydrophobicContact CB-CD2 3.84Å; M1312-Y1315 HydrophobicContact CB-CE2 4.11Å; M1312-Y1315 HydrophobicContact CE-CD2 4.45Å; M1312-Y1315 WeakPolarHBondContact O-CB 3.38Å; M1312-Y1315 WeakPolarHBondContact O-CD2 3.41Å; M1312-Y1315 PolarHBondContact O-N 3.08Å; M1312-Y1315 VanDerWaalsContact O-N 3.12Å; R1313-Y1315 HydrophobicContact CB-CD1 4.32Å; R1313-Y1315 HydrophobicContact CB-CE1 4.36Å; R1313-Y1315 HydrophobicContact CB-CE2 4.39Å; R1313-Y1315 HydrophobicContact CB-CG 4.47Å; Y1315-L1317 VanDerWaalsContact C-N 3.3Å; Y1315-L1317 PolarHBondContact O-N 3.18Å; Y1315-W1427 AromaticContact CD2-CD1 3.8Å; Y1315-W1427 HydrophobicContact CD2-CD2 4.36Å; Y1315-W1427 AromaticContact CD2-CE2 3.83Å; Y1315-W1427 HydrophobicContact CD2-CG 4.32Å; Y1315-W1427 HydrophobicContact CD2-CZ2 4.33Å; Y1315-W1427 AromaticContact CD2-NE1 3.48Å; Y1315-W1427 AromaticContact CE2-CD1 3.7Å; Y1315-W1427 HydrophobicContact CE2-CG 4.24Å; Y1315-W1427 AromaticContact CE2-NE1 3.88Å; Y1315-W1427 AromaticContact CG-NE1 3.96Å; Y1315-C1430 HydrophobicContact CE2-CB 4.09Å; Y1315-P1483 HydrophobicContact CD1-CB 4.05Å; Y1315-P1483 HydrophobicContact CD1-CG 4.38Å; Y1315-P1483 HydrophobicContact CD2-CB 4.48Å; Y1315-P1483 HydrophobicContact CE1-CB 3.67Å; Y1315-P1483 HydrophobicContact CE1-CG 3.77Å; Y1315-P1483 HydrophobicContact CE2-CB 4.16Å; Y1315-P1483 HydrophobicContact CG-CB 4.45Å; Y1315-Y1484 HydrophobicContact CD1-CD1 4.21Å; Y1315-Y1484 AromaticContact CD1-CE1 3.78Å; Y1315-Y1484 HydrophobicContact CD1-CE1 3.78Å; Y1315-Y1484 HydrophobicContact CD1-CE2 4.31Å; Y1315-Y1484 AromaticContact CD1-CZ 3.83Å; Y1315-Y1484 HydrophobicContact CE1-CE1 4.22Å; Y1315-Y1484 AromaticContact CE1-CE2 3.95Å; Y1315-Y1484 HydrophobicContact CE1-CE2 4.03Å; Y1315-Y1484 AromaticContact CE1-CZ 3.78Å | ||
| 1316 | P | 85.4 | Confident | 89.9 | Confident | 66.4 Ų | 66.4 | 37.3 Ų | 37.3 | 43% | 0.431 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -67 | -28.7 | -172.5 | 25.4 | -33.9 | 0 | 0 | 0 | 112.3 | Y1484 D1486 | P1316-Y1484 VanDerWaalsContact CG-O 3.32Å; P1316-Y1484 WeakPolarHBondContact CG-O 3.33Å; P1316-D1486 HydrophobicContact CB-CB 4.32Å; P1316-D1486 HydrophobicContact CG-CB 4.16Å |
| 1317 | L | 87.4 | Confident | 89.7 | Confident | 14.2 Ų | 14.2 | 34.7 Ų | 34.7 | 7% | 0.074 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -94.4 | 134 | 175.6 | -66 | 172.1 | 0 | 0 | 0 | 110.6 | Q1311 Y1315 W1427 L1478 D1486 Q1489 | Q1311-L1317 PolarHBondContact NE2-O 2.83Å; Y1315-L1317 VanDerWaalsContact C-N 3.3Å; Y1315-L1317 PolarHBondContact O-N 3.18Å; L1317-W1427 HydrophobicContact CB-CH2 4.02Å; L1317-W1427 HydrophobicContact CB-CZ2 4.08Å; L1317-W1427 WeakPolarHBondContact O-CH2 3.19Å; L1317-L1478 HydrophobicContact CD1-CD1 4.16Å; L1317-L1478 HydrophobicContact CD1-CD2 3.97Å; L1317-L1478 HydrophobicContact CD1-CG 4.16Å; L1317-D1486 HydrophobicContact CD1-CB 4.24Å; L1317-D1486 HydrophobicContact CD2-CB 4.25Å; L1317-D1486 HydrophobicContact CG-CB 4.04Å; L1317-Q1489 VanDerWaalsContact CD1-CD 3.45Å; L1317-Q1489 HydrophobicContact CD1-CG 4.38Å |
| 1318 | P | 90.6 | Very high | 89.6 | Confident | 18.6 Ų | 18.6 | 32.6 Ų | 32.6 | 12% | 0.121 | 16% | 0.161 | C | C | . | . | trans | -69.1 | 146.8 | 173.1 | 29.5 | -34.1 | 0 | 0 | 0 | 110.4 | F1309 D1321 S1422 | F1309-P1318 HydrophobicContact CD2-CB 4.29Å; F1309-P1318 HydrophobicContact CE2-CB 3.53Å; F1309-P1318 HydrophobicContact CE2-CG 4.08Å; F1309-P1318 HydrophobicContact CZ-CB 3.75Å; F1309-P1318 HydrophobicContact CZ-CG 4.46Å; P1318-D1321 HydrophobicContact CB-CB 4.4Å; P1318-D1321 HydrophobicContact CG-CB 4.24Å; P1318-S1422 VanDerWaalsContact O-CB 3.23Å; P1318-S1422 WeakPolarHBondContact O-CB 3.39Å; P1318-S1422 PolarHBondContact O-OG 2.99Å; P1318-S1422 VanDerWaalsContact O-OG 3.11Å | ||
| 1319 | Y | 92.4 | Very high | 89.4 | Confident | 50 Ų | 50 | 31.4 Ų | 31.4 | 20% | 0.196 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -65.8 | -46.8 | 171.2 | -178 | -115.5 | 0 | 0 | 0 | 110.2 | F1251 A1310 M1312 W1421 S1422 Y1423 W1427 L1431 | F1251-Y1319 HydrophobicContact CE2-CD1 4.48Å; A1310-Y1319 HydrophobicContact CB-CD1 4.4Å; A1310-Y1319 WeakPolarHBondContact O-CA 3.4Å; A1310-Y1319 WeakPolarHBondContact O-CB 3.33Å; A1310-Y1319 PolarHBondContact O-N 3.01Å; M1312-Y1319 HydrophobicContact CE-CD1 3.89Å; M1312-Y1319 HydrophobicContact CE-CD2 3.4Å; M1312-Y1319 HydrophobicContact CE-CE1 4.16Å; M1312-Y1319 HydrophobicContact CE-CE2 3.89Å; M1312-Y1319 HydrophobicContact CE-CG 3.72Å; M1312-Y1319 VanDerWaalsContact CE-CG 3.45Å; M1312-Y1319 HydrophobicContact SD-CD2 4.33Å; Y1319-W1421 AromaticContact CE1-NE1 3.98Å; Y1319-W1421 AromaticContact CE2-NE1 3.81Å; Y1319-W1421 AromaticContact CZ-NE1 3.63Å; Y1319-W1421 VanDerWaalsContact O-CD1 3.28Å; Y1319-S1422 WeakPolarHBondContact CD2-O 3.31Å; Y1319-S1422 PolarHBondContact O-N 3.06Å; Y1319-Y1423 HydrophobicContact CE2-CD2 4.5Å; Y1319-W1427 AromaticContact CD2-CE3 3.99Å; Y1319-W1427 HydrophobicContact CD2-CE3 4.01Å; Y1319-W1427 AromaticContact CD2-CZ3 3.89Å; Y1319-W1427 HydrophobicContact CD2-CZ3 3.89Å; Y1319-L1431 HydrophobicContact CE2-CD2 4.45Å |
| 1320 | M | 92.9 | Very high | 89.2 | Confident | 40.8 Ų | 40.8 | 30.3 Ų | 30.3 | 20% | 0.201 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 136.7 | 178.9 | -148.1 | 168.1 | 56.5 | 0 | 0 | 110.3 | M1308 F1309 A1310 I1322 F1419 R1420 W1421 | M1308-M1320 HydrophobicContact CE-CB 4.13Å; M1308-M1320 HydrophobicContact CE-CE 3.3Å; M1308-M1320 VanDerWaalsContact CE-CE 3.44Å; M1308-M1320 HydrophobicContact CE-CG 3.94Å; M1308-M1320 HydrophobicContact CE-SD 3.69Å; M1308-M1320 WeakPolarHBondContact CE-SD 3.26Å; M1308-M1320 HydrophobicContact CG-CE 4.4Å; M1308-M1320 HydrophobicContact SD-CE 3.77Å; M1308-M1320 WeakPolarHBondContact SD-CE 3.47Å; F1309-M1320 CarbonylContact C-O 3.58Å; F1309-M1320 WeakPolarHBondContact CA-O 3.5Å; A1310-M1320 HydrophobicContact CB-CB 4Å; A1310-M1320 HydrophobicContact CB-CE 4.37Å; A1310-M1320 PolarHBondContact N-O 3.15Å; A1310-M1320 PolarHBondContact O-N 2.94Å; M1320-I1322 HydrophobicContact CE-CD1 4.13Å; M1320-I1322 HydrophobicContact CG-CD1 4.38Å; M1320-I1322 HydrophobicContact CG-CG1 4.24Å; M1320-I1322 HydrophobicContact SD-CD1 4.23Å; M1320-I1322 HydrophobicContact SD-CG1 4.33Å; M1320-F1419 HydrophobicContact CE-CE2 4.1Å; M1320-F1419 HydrophobicContact CE-CZ 3.98Å; M1320-F1419 HydrophobicContact CG-CD2 4.49Å; M1320-F1419 HydrophobicContact CG-CE2 3.86Å; M1320-F1419 HydrophobicContact SD-CE2 4.12Å; M1320-F1419 HydrophobicContact SD-CZ 4.5Å; M1320-R1420 WeakPolarHBondContact CA-O 3.26Å; M1320-W1421 HydrophobicContact CE-CG 4.44Å; M1320-W1421 HydrophobicContact CG-CG 4.4Å |
| 1321 | D | 93.3 | Very high | 89.2 | Confident | 28.8 Ų | 28.8 | 32.7 Ų | 32.7 | 15% | 0.154 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 114.5 | 175.1 | 174.4 | 13.3 | 0 | 0 | 0 | 108.3 | M1308 F1309 P1318 K1323 F1419 R1420 | M1308-D1321 WeakPolarHBondContact O-CA 3.33Å; F1309-D1321 HydrophobicContact CD2-CB 4.21Å; F1309-D1321 HydrophobicContact CE2-CB 4.42Å; P1318-D1321 HydrophobicContact CB-CB 4.4Å; P1318-D1321 HydrophobicContact CG-CB 4.24Å; D1321-K1323 WeakPolarHBondContact OD1-CD 3.36Å; D1321-K1323 WeakPolarHBondContact OD1-CE 3.43Å; D1321-K1323 IonicContact OD1-NZ 3.44Å; D1321-K1323 PolarHBondContact OD1-NZ 3.15Å; D1321-K1323 IonicContact OD2-NZ 3.35Å; D1321-K1323 PolarHBondContact OD2-NZ 2.87Å; D1321-F1419 CarbonylContact O-C 3.54Å; D1321-F1419 WeakPolarHBondContact O-CA 3.38Å; D1321-R1420 HydrophobicContact CB-CB 4.34Å; D1321-R1420 PolarHBondContact N-O 3.12Å; D1321-R1420 PolarHBondContact O-N 3.15Å |
| 1322 | I | 92.1 | Very high | 89.2 | Confident | 7.2 Ų | 7.2 | 30.4 Ų | 30.4 | 4% | 0.037 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 124.2 | 179.3 | -56.1 | -180 | 0 | 0 | 0 | 108.4 | F1305 E1307 M1308 M1320 F1416 T1418 F1419 | F1305-I1322 HydrophobicContact CE2-CB 4.13Å; F1305-I1322 HydrophobicContact CE2-CG2 3.84Å; F1305-I1322 HydrophobicContact CZ-CB 4.45Å; F1305-I1322 HydrophobicContact CZ-CG2 4.03Å; E1307-I1322 CarbonylContact C-O 3.55Å; E1307-I1322 VanDerWaalsContact CA-O 3.24Å; E1307-I1322 WeakPolarHBondContact CA-O 3.37Å; M1308-I1322 HydrophobicContact CB-CB 4.29Å; M1308-I1322 HydrophobicContact CE-CB 4.31Å; M1308-I1322 HydrophobicContact CE-CD1 3.38Å; M1308-I1322 VanDerWaalsContact CE-CD1 3.42Å; M1308-I1322 HydrophobicContact CE-CG1 3.78Å; M1308-I1322 PolarHBondContact N-O 3.05Å; M1308-I1322 PolarHBondContact O-N 3.11Å; M1308-I1322 HydrophobicContact SD-CD1 4.21Å; M1320-I1322 HydrophobicContact CE-CD1 4.13Å; M1320-I1322 HydrophobicContact CG-CD1 4.38Å; M1320-I1322 HydrophobicContact CG-CG1 4.24Å; M1320-I1322 HydrophobicContact SD-CD1 4.23Å; M1320-I1322 HydrophobicContact SD-CG1 4.33Å; I1322-F1416 HydrophobicContact CD1-CD2 4.31Å; I1322-F1416 HydrophobicContact CD1-CE1 4.43Å; I1322-F1416 HydrophobicContact CD1-CE2 4.04Å; I1322-F1416 HydrophobicContact CD1-CZ 4.2Å; I1322-F1416 HydrophobicContact CG2-CB 3.97Å; I1322-F1416 HydrophobicContact CG2-CD1 3.55Å; I1322-F1416 VanDerWaalsContact CG2-CD1 3.46Å; I1322-F1416 HydrophobicContact CG2-CD2 4.08Å; I1322-F1416 HydrophobicContact CG2-CE1 4.07Å; I1322-F1416 HydrophobicContact CG2-CE2 4.43Å; I1322-F1416 HydrophobicContact CG2-CG 3.6Å; I1322-F1416 VanDerWaalsContact CG2-CG 3.49Å; I1322-T1418 CarbonylContact C-O 3.56Å; I1322-T1418 VanDerWaalsContact CA-O 3.3Å; I1322-T1418 WeakPolarHBondContact CA-O 3.28Å; I1322-F1419 HydrophobicContact CD1-CB 4.45Å; I1322-F1419 HydrophobicContact CD1-CD1 4.3Å; I1322-F1419 HydrophobicContact CD1-CD2 3.88Å; I1322-F1419 HydrophobicContact CD1-CE1 4.5Å; I1322-F1419 HydrophobicContact CD1-CE2 3.99Å; I1322-F1419 HydrophobicContact CD1-CG 4.16Å; I1322-F1419 HydrophobicContact CD1-CZ 4.24Å; I1322-F1419 HydrophobicContact CG1-CB 4.44Å; I1322-F1419 HydrophobicContact CG1-CD2 3.47Å; I1322-F1419 VanDerWaalsContact CG1-CD2 3.46Å; I1322-F1419 HydrophobicContact CG1-CE2 3.97Å; I1322-F1419 HydrophobicContact CG1-CG 4.12Å |
| 1323 | K | 91.2 | Very high | 89.3 | Confident | 67.6 Ų | 67.6 | 30.3 Ų | 30.3 | 29% | 0.294 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 142.9 | 176.3 | -49.1 | -106.8 | -173.5 | -162.3 | 0 | 111.3 | N1306 E1307 D1321 K1417 T1418 | N1306-K1323 CarbonylContact O-C 3.55Å; N1306-K1323 WeakPolarHBondContact O-CA 3.33Å; E1307-K1323 HydrophobicContact CB-CD 4.15Å; E1307-K1323 HydrophobicContact CG-CD 3.92Å; E1307-K1323 HydrophobicContact CG-CG 4.43Å; E1307-K1323 WeakPolarHBondContact OE1-CE 3.44Å; E1307-K1323 IonicContact OE1-NZ 3.44Å; E1307-K1323 PolarHBondContact OE1-NZ 3.17Å; E1307-K1323 IonicContact OE2-NZ 3.22Å; E1307-K1323 PolarHBondContact OE2-NZ 2.97Å; D1321-K1323 WeakPolarHBondContact OD1-CD 3.36Å; D1321-K1323 WeakPolarHBondContact OD1-CE 3.43Å; D1321-K1323 IonicContact OD1-NZ 3.44Å; D1321-K1323 PolarHBondContact OD1-NZ 3.15Å; D1321-K1323 IonicContact OD2-NZ 3.35Å; D1321-K1323 PolarHBondContact OD2-NZ 2.87Å; K1323-K1417 WeakPolarHBondContact O-CB 3.33Å; K1323-K1417 PolarHBondContact O-N 3.07Å; K1323-K1417 VanDerWaalsContact O-N 3.08Å; K1323-T1418 VanDerWaalsContact CB-OG1 3.24Å; K1323-T1418 WeakPolarHBondContact CB-OG1 3.4Å; K1323-T1418 VanDerWaalsContact CG-OG1 3.27Å; K1323-T1418 WeakPolarHBondContact CG-OG1 3.37Å; K1323-T1418 PolarHBondContact N-O 2.91Å; K1323-T1418 PolarHBondContact O-N 3.2Å |
| 1324 | D | 87 | Confident | 89.4 | Confident | 74.8 Ų | 74.8 | 28 Ų | 28 | 40% | 0.4 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 44.6 | 74.5 | -176.4 | -61.3 | -35.6 | 0 | 0 | 0 | 111 | N1306 K1417 | N1306-D1324 PolarHBondContact O-N 2.95Å; D1324-K1417 HydrophobicContact CB-CB 3.82Å; D1324-K1417 HydrophobicContact CB-CD 4.14Å; D1324-K1417 PolarHBondContact O-N 3.09Å; D1324-K1417 WeakPolarHBondContact OD2-CD 3.26Å; D1324-K1417 WeakPolarHBondContact OD2-CE 3.44Å; D1324-K1417 IonicContact OD2-NZ 3.39Å; D1324-K1417 PolarHBondContact OD2-NZ 3.11Å |
| 1325 | G | 86.7 | Confident | 89.5 | Confident | 3.6 Ų | 3.6 | 27.2 Ų | 27.2 | 4% | 0.037 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 134.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | N1304 F1305 E1415 | N1304-G1325 CarbonylContact C-O 3.56Å; N1304-G1325 WeakPolarHBondContact CA-O 3.37Å; F1305-G1325 WeakPolarHBondContact CD1-O 3.31Å; F1305-G1325 PolarHBondContact N-O 3.04Å; F1305-G1325 PolarHBondContact O-N 3.22Å; G1325-E1415 CarbonylContact C-O 3.59Å; G1325-E1415 WeakPolarHBondContact CA-O 3.28Å |
| 1326 | R | 87.9 | Confident | 89 | Confident | 39.4 Ų | 39.4 | 28 Ų | 28 | 15% | 0.149 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 137.5 | 173.7 | -178.1 | 168.6 | -174.9 | -131.4 | 1.7 | 111.7 | D1302 L1303 N1304 V1393 I1413 L1414 E1415 | D1302-R1326 IonicContact OD1-CZ 2.81Å; D1302-R1326 IonicContact OD1-NE 3.26Å; D1302-R1326 PolarHBondContact OD1-NE 3.28Å; D1302-R1326 IonicContact OD1-NH2 3.42Å; D1302-R1326 PolarHBondContact OD1-NH2 3.14Å; D1302-R1326 IonicContact OD2-CZ 3.26Å; D1302-R1326 IonicContact OD2-NE 3.16Å; D1302-R1326 IonicContact OD2-NH2 2.96Å; D1302-R1326 PolarHBondContact OD2-NH2 3.05Å; D1302-R1326 VanDerWaalsContact OD2-NH2 3.09Å; L1303-R1326 CarbonylContact O-C 3.52Å; L1303-R1326 VanDerWaalsContact O-CA 3.28Å; L1303-R1326 WeakPolarHBondContact O-CA 3.26Å; N1304-R1326 WeakPolarHBondContact OD1-CD 3.34Å; N1304-R1326 WeakPolarHBondContact OD1-CG 3.27Å; N1304-R1326 PolarHBondContact OD1-NE 3.09Å; R1326-V1393 PolarHBondContact NH1-O 3.01Å; R1326-V1393 PolarHBondContact NH2-O 3.23Å; R1326-I1413 CarbonylContact C-O 3.53Å; R1326-I1413 VanDerWaalsContact O-O 3.05Å; R1326-L1414 CarbonylContact O-C 3.57Å; R1326-L1414 VanDerWaalsContact O-CA 3.28Å; R1326-L1414 WeakPolarHBondContact O-CA 3.38Å; R1326-E1415 HydrophobicContact CB-CB 4.41Å; R1326-E1415 PolarHBondContact N-O 3.2Å; R1326-E1415 IonicContact NH1-OE2 3.12Å; R1326-E1415 PolarHBondContact O-N 3.22Å; R1326-E1415 VanDerWaalsContact O-N 3.13Å |
| 1327 | V | 87.7 | Confident | 88.2 | Confident | 26.6 Ų | 26.6 | 30 Ų | 30 | 16% | 0.161 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 107.5 | 176.4 | -177.2 | 0 | 0 | 0 | 0 | 109.1 | D1302 L1303 F1305 F1389 I1413 L1414 F1416 | D1302-V1327 CarbonylContact C-O 3.49Å; D1302-V1327 WeakPolarHBondContact CA-O 3.32Å; L1303-V1327 HydrophobicContact CB-CB 4.26Å; L1303-V1327 HydrophobicContact CD2-CB 4.46Å; L1303-V1327 HydrophobicContact CD2-CG2 4.43Å; L1303-V1327 PolarHBondContact N-O 3.05Å; L1303-V1327 PolarHBondContact O-N 3.15Å; F1305-V1327 HydrophobicContact CE1-CG2 4.41Å; V1327-F1389 HydrophobicContact CG1-CD1 4.22Å; V1327-F1389 HydrophobicContact CG1-CD2 4.44Å; V1327-F1389 HydrophobicContact CG1-CE1 4.04Å; V1327-F1389 HydrophobicContact CG1-CE2 4.25Å; V1327-F1389 HydrophobicContact CG1-CG 4.47Å; V1327-F1389 HydrophobicContact CG1-CZ 4.28Å; V1327-I1413 CarbonylContact C-O 3.6Å; V1327-I1413 WeakPolarHBondContact CA-O 3.33Å; V1327-L1414 HydrophobicContact CB-CD2 3.76Å; V1327-L1414 HydrophobicContact CG1-CD2 3.48Å; V1327-L1414 VanDerWaalsContact CG1-CD2 3.44Å; V1327-L1414 HydrophobicContact CG2-CD2 3.47Å; V1327-L1414 VanDerWaalsContact CG2-CD2 3.41Å; V1327-F1416 HydrophobicContact CG2-CE1 4.15Å; V1327-F1416 HydrophobicContact CG2-CZ 4.35Å |
| 1328 | A | 87.3 | Confident | 86.8 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 153.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y1300 V1301 D1302 F1389 S1391 A1392 I1413 | Y1300-A1328 HydrophobicContact CE1-CB 4.42Å; V1301-A1328 CarbonylContact O-C 3.52Å; V1301-A1328 VanDerWaalsContact O-CA 3.23Å; V1301-A1328 WeakPolarHBondContact O-CA 3.36Å; V1301-A1328 WeakPolarHBondContact O-CB 3.37Å; D1302-A1328 HydrophobicContact CB-CB 3.98Å; A1328-F1389 WeakPolarHBondContact O-CD1 3.23Å; A1328-F1389 VanDerWaalsContact O-CE1 3.31Å; A1328-F1389 WeakPolarHBondContact O-CE1 3.32Å; A1328-S1391 CarbonylContact C-O 3.54Å; A1328-A1392 HydrophobicContact CB-CB 3.82Å; A1328-I1413 VanDerWaalsContact C-CG2 3.5Å; A1328-I1413 HydrophobicContact CB-CG2 3.61Å; A1328-I1413 VanDerWaalsContact CB-CG2 3.43Å; A1328-I1413 PolarHBondContact N-O 3.23Å; A1328-I1413 VanDerWaalsContact O-CB 3.28Å; A1328-I1413 WeakPolarHBondContact O-CB 3.39Å; A1328-I1413 VanDerWaalsContact O-CD1 3.25Å; A1328-I1413 WeakPolarHBondContact O-CD1 3.47Å; A1328-I1413 WeakPolarHBondContact O-CG2 3.39Å |
| 1329 | G | 87.9 | Confident | 85 | Confident | 0.2 Ų | 0.2 | 32.6 Ų | 32.6 | 0% | 0.002 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 147.3 | -172.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y1300 V1301 D1388 S1391 | Y1300-G1329 WeakPolarHBondContact CA-O 3.35Å; Y1300-G1329 VanDerWaalsContact CE2-CA 3.5Å; V1301-G1329 PolarHBondContact N-O 3.14Å; V1301-G1329 PolarHBondContact O-N 3.04Å; G1329-D1388 CarbonylContact C-O 3.5Å; G1329-D1388 VanDerWaalsContact CA-O 3.22Å; G1329-D1388 WeakPolarHBondContact CA-O 3.42Å; G1329-S1391 VanDerWaalsContact CA-O 3.26Å; G1329-S1391 WeakPolarHBondContact CA-O 3.5Å; G1329-S1391 PolarHBondContact N-O 3.37Å |
| 1330 | R | 90.3 | Very high | 82.7 | Confident | 30.8 Ų | 30.8 | 35.8 Ų | 35.8 | 12% | 0.116 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 135.2 | 178.6 | -66.1 | 179.8 | -74.7 | 171.7 | 0.4 | 110 | V1086 F1268 S1280 M1281 Y1300 Y1387 D1388 | V1086-R1330 HydrophobicContact CG1-CG 4.16Å; F1268-R1330 HydrophobicContact CZ-CG 4.46Å; S1280-R1330 PolarHBondContact OG-NH1 2.99Å; S1280-R1330 PolarHBondContact OG-NH2 3.2Å; S1280-R1330 VanDerWaalsContact OG-NH2 3.09Å; M1281-R1330 HydrophobicContact CE-CB 3.82Å; M1281-R1330 HydrophobicContact SD-CB 4.02Å; Y1300-R1330 HydrophobicContact CD2-CG 4.24Å; R1330-Y1387 CarbonylContact O-C 3.54Å; R1330-Y1387 VanDerWaalsContact O-CA 3.29Å; R1330-Y1387 WeakPolarHBondContact O-CA 3.41Å; R1330-D1388 HydrophobicContact CB-CB 4.4Å; R1330-D1388 IonicContact CZ-OD2 3.11Å; R1330-D1388 PolarHBondContact N-O 3.04Å; R1330-D1388 IonicContact NE-OD2 3.12Å; R1330-D1388 PolarHBondContact NE-OD2 3.39Å; R1330-D1388 IonicContact NH2-OD2 2.93Å; R1330-D1388 PolarHBondContact NH2-OD2 3.1Å; R1330-D1388 PolarHBondContact O-N 3.01Å |
| 1331 | F | 92 | Very high | 80.1 | Confident | 53.8 Ų | 53.8 | 43.7 Ų | 43.7 | 24% | 0.236 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 125.6 | 177.2 | -171.3 | -127.7 | 0 | 0 | 0 | 110.5 | W1297 C1298 R1299 V1301 Y1385 F1386 F1389 | W1297-F1331 AromaticContact CH2-CD1 3.66Å; W1297-F1331 HydrophobicContact CH2-CD1 3.66Å; W1297-F1331 AromaticContact CH2-CE1 3.56Å; W1297-F1331 HydrophobicContact CH2-CE1 3.56Å; W1297-F1331 VanDerWaalsContact CH2-CE1 3.48Å; W1297-F1331 HydrophobicContact CH2-CZ 4.38Å; W1297-F1331 AromaticContact CZ3-CD1 3.78Å; W1297-F1331 HydrophobicContact CZ3-CD1 3.78Å; W1297-F1331 HydrophobicContact CZ3-CE1 4.18Å; W1297-F1331 HydrophobicContact CZ3-CG 4.49Å; C1298-F1331 CarbonylContact C-O 3.57Å; C1298-F1331 WeakPolarHBondContact CA-O 3.43Å; R1299-F1331 PolarHBondContact N-O 3.01Å; R1299-F1331 PolarHBondContact O-N 3.1Å; R1299-F1331 VanDerWaalsContact O-O 3.08Å; V1301-F1331 HydrophobicContact CG2-CB 4Å; V1301-F1331 HydrophobicContact CG2-CD1 4.49Å; F1331-Y1385 HydrophobicContact CE1-CD1 4.23Å; F1331-Y1385 HydrophobicContact CE1-CE1 4.46Å; F1331-Y1385 AromaticContact CE2-CD1 3.97Å; F1331-Y1385 HydrophobicContact CE2-CD1 4.02Å; F1331-Y1385 HydrophobicContact CE2-CG 4.34Å; F1331-Y1385 AromaticContact CZ-CD1 3.45Å; F1331-Y1385 HydrophobicContact CZ-CD1 3.45Å; F1331-Y1385 VanDerWaalsContact CZ-CD1 3.46Å; F1331-Y1385 HydrophobicContact CZ-CE1 4.11Å; F1331-Y1385 HydrophobicContact CZ-CG 4.12Å; F1331-F1386 CarbonylContact C-O 3.57Å; F1331-F1386 WeakPolarHBondContact CA-O 3.18Å; F1331-F1386 WeakPolarHBondContact CD2-O 3.43Å; F1331-F1389 HydrophobicContact CB-CZ 4.48Å; F1331-F1389 HydrophobicContact CD2-CZ 4.3Å |
| 1332 | A | 92.3 | Very high | 77.3 | Confident | 0.4 Ų | 0.4 | 46.4 Ų | 46.4 | 0% | 0.003 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 148.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1278 M1281 W1297 C1298 Y1385 F1386 | I1278-A1332 HydrophobicContact CG1-CB 4.3Å; M1281-A1332 HydrophobicContact CE-CB 3.84Å; M1281-A1332 HydrophobicContact SD-CB 4.37Å; W1297-A1332 CarbonylContact O-C 3.54Å; W1297-A1332 VanDerWaalsContact O-CA 3.24Å; W1297-A1332 WeakPolarHBondContact O-CA 3.3Å; W1297-A1332 VanDerWaalsContact O-CB 3.27Å; W1297-A1332 WeakPolarHBondContact O-CB 3.39Å; C1298-A1332 HydrophobicContact CB-CB 3.81Å; A1332-Y1385 CarbonylContact O-C 3.55Å; A1332-Y1385 WeakPolarHBondContact O-CA 3.28Å; A1332-F1386 HydrophobicContact CB-CB 4.32Å; A1332-F1386 PolarHBondContact N-O 2.84Å; A1332-F1386 PolarHBondContact O-N 3.18Å |
| 1333 | G | 92.1 | Very high | 74.5 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 132.9 | 173 | 0 | 0 | 0 | 0 | 0 | 110.2 | L1296 W1297 K1384 | L1296-G1333 WeakPolarHBondContact CA-O 3.31Å; W1297-G1333 PolarHBondContact N-O 3.2Å; W1297-G1333 VanDerWaalsContact N-O 3.08Å; W1297-G1333 PolarHBondContact O-N 3.21Å; G1333-K1384 CarbonylContact C-O 3.57Å; G1333-K1384 VanDerWaalsContact CA-O 3.29Å; G1333-K1384 WeakPolarHBondContact CA-O 3.42Å |
| 1334 | C | 89.3 | Confident | 71.8 | Confident | 2.6 Ų | 2.6 | 59.3 Ų | 59.3 | 2% | 0.018 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 144.5 | 174.3 | 86.3 | 0 | 0 | 0 | 0 | 113.8 | I1278 F1293 T1295 L1296 K1384 F1386 | I1278-C1334 HydrophobicContact CD1-CB 4.11Å; F1293-C1334 HydrophobicContact CD1-CB 3.79Å; F1293-C1334 HydrophobicContact CE1-CB 3.92Å; T1295-C1334 CarbonylContact O-C 3.43Å; T1295-C1334 WeakPolarHBondContact O-CA 3.45Å; L1296-C1334 HydrophobicContact CD1-CB 3.59Å; C1334-K1384 PolarHBondContact N-O 3.23Å; C1334-K1384 PolarHBondContact O-N 3.05Å; C1334-F1386 VanDerWaalsContact SG-CE2 3.55Å; C1334-F1386 WeakPolarHBondContact SG-CE2 3.39Å |
| 1335 | E | 85.1 | Confident | 69.3 | Low | 32.2 Ų | 32.2 | 57.8 Ų | 57.8 | 15% | 0.15 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 105.8 | 170.4 | -110.3 | -179.7 | 170.5 | 0 | 0 | 107.4 | F1293 Q1294 T1295 H1379 L1383 | F1293-E1335 CarbonylContact C-O 3.51Å; F1293-E1335 WeakPolarHBondContact CA-O 3.39Å; Q1294-E1335 HydrophobicContact CB-CB 4.39Å; Q1294-E1335 HydrophobicContact CB-CG 4.42Å; Q1294-E1335 PolarHBondContact N-O 3.3Å; T1295-E1335 WeakPolarHBondContact CB-OE2 3.12Å; T1295-E1335 PolarHBondContact O-N 2.99Å; T1295-E1335 PolarHBondContact OG1-OE2 3.13Å; T1295-E1335 VanDerWaalsContact OG1-OE2 3.04Å; E1335-H1379 IonicContact OE1-CE1 2.86Å; E1335-H1379 IonicContact OE1-CG 3.33Å; E1335-H1379 IonicContact OE1-ND1 3.46Å; E1335-H1379 PolarHBondContact OE1-ND1 2.82Å; E1335-L1383 HydrophobicContact CB-CD1 4.35Å; E1335-L1383 HydrophobicContact CG-CB 3.88Å; E1335-L1383 HydrophobicContact CG-CD1 3.8Å; E1335-L1383 HydrophobicContact CG-CG 4.46Å |
| 1336 | M | 77.9 | Confident | 66.7 | Low | 30 Ų | 30 | 67 Ų | 67 | 15% | 0.148 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 128.9 | -177.8 | -126.7 | 175.2 | 119.4 | 0 | 0 | 110.8 | W1287 P1288 P1291 H1292 F1293 R1359 H1379 N1577 | W1287-M1336 HydrophobicContact CH2-CE 4.22Å; W1287-M1336 HydrophobicContact CZ2-CE 4.41Å; W1287-M1336 HydrophobicContact CZ3-CE 4.2Å; P1288-M1336 HydrophobicContact CB-CE 4.12Å; P1288-M1336 HydrophobicContact CB-SD 4.28Å; P1288-M1336 HydrophobicContact CG-CE 3.95Å; P1288-M1336 HydrophobicContact CG-SD 3.81Å; P1288-M1336 VanDerWaalsContact CG-SD 3.57Å; P1291-M1336 HydrophobicContact CB-CG 4.38Å; P1291-M1336 HydrophobicContact CB-SD 4.09Å; H1292-M1336 CarbonylContact O-C 3.53Å; H1292-M1336 WeakPolarHBondContact O-CA 3.49Å; F1293-M1336 HydrophobicContact CD1-CB 4.29Å; F1293-M1336 HydrophobicContact CD1-CG 4.03Å; F1293-M1336 HydrophobicContact CE1-CB 4.13Å; F1293-M1336 HydrophobicContact CE1-CE 3.75Å; F1293-M1336 HydrophobicContact CE1-CG 3.75Å; F1293-M1336 VanDerWaalsContact CE1-CG 3.41Å; F1293-M1336 HydrophobicContact CE1-SD 4.38Å; F1293-M1336 HydrophobicContact CZ-CE 4.04Å; F1293-M1336 HydrophobicContact CZ-CG 4.27Å; M1336-R1359 PolarHBondContact O-NH1 3.48Å; M1336-H1379 PolarHBondContact O-CE1 3.14Å; M1336-H1379 VanDerWaalsContact O-CE1 3.29Å; M1336-H1379 PolarHBondContact O-NE2 2.89Å; M1336-N1577 HydrophobicContact CE-CB 4.29Å; M1336-N1577 HydrophobicContact SD-CB 4.48Å |
| 1337 | R | 68.9 | Low | 64.5 | Low | 108.6 Ų | 108.6 | 73.3 Ų | 73.3 | 41% | 0.41 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 147.4 | 162.3 | -83.8 | -179.4 | 169.6 | -173.3 | -2.9 | 108.1 | H1292 Q1294 R1359 F1360 | H1292-R1337 HydrophobicContact CB-CB 4.17Å; H1292-R1337 WeakPolarHBondContact O-CA 3.39Å; H1292-R1337 VanDerWaalsContact O-CB 3.3Å; H1292-R1337 WeakPolarHBondContact O-CB 3.4Å; H1292-R1337 PolarHBondContact O-N 3.05Å; Q1294-R1337 HydrophobicContact CB-CG 4.05Å; Q1294-R1337 VanDerWaalsContact OE1-CZ 3.26Å; Q1294-R1337 VanDerWaalsContact OE1-NH2 3.17Å; R1337-R1359 PolarHBondContact O-NH1 3.06Å; R1337-F1360 HydrophobicContact CG-CZ 4.17Å; R1337-F1360 VanDerWaalsContact NE-CZ 3.31Å |
| 1338 | G | 57.5 | Low | 62.1 | Low | 20.6 Ų | 20.6 | 79.2 Ų | 79.2 | 21% | 0.212 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -60 | 145.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | E1340 R1359 | G1338-E1340 PolarHBondContact O-N 2.84Å; G1338-E1340 VanDerWaalsContact O-N 3.14Å; G1338-R1359 VanDerWaalsContact N-NH1 3.15Å |
| 1339 | S | 52.4 | Low | 59.6 | Low | 67.2 Ų | 67.2 | 81.9 Ų | 81.9 | 47% | 0.47 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 130.3 | 169.8 | 52.1 | 0 | 0 | 0 | 0 | 109.7 | R1341 | S1339-R1341 PolarHBondContact O-N 3.05Å; S1339-R1341 VanDerWaalsContact O-N 3.11Å |
| 1340 | E | 44.8 | Very low | 57.3 | Low | 117 Ų | 117 | 91.8 Ų | 91.8 | 55% | 0.547 | 44% | 0.437 | S | S | . | . | trans | -61.6 | 103.4 | 161.1 | -66.1 | -169 | 160.2 | 0 | 0 | 107.1 | G1338 S1342 K1343 R1346 I1356 | G1338-E1340 PolarHBondContact O-N 2.84Å; G1338-E1340 VanDerWaalsContact O-N 3.14Å; E1340-S1342 VanDerWaalsContact C-N 3.33Å; E1340-S1342 PolarHBondContact O-N 3Å; E1340-K1343 WeakPolarHBondContact OE2-CE 3.42Å; E1340-K1343 IonicContact OE2-NZ 3.21Å; E1340-R1346 IonicContact OE1-NH2 3.29Å; E1340-R1346 IonicContact OE2-NH2 2.78Å; E1340-I1356 HydrophobicContact CB-CD1 4.19Å; E1340-I1356 HydrophobicContact CG-CD1 3.57Å; E1340-I1356 HydrophobicContact CG-CG1 4.03Å; E1340-I1356 WeakPolarHBondContact OE1-CD1 3.41Å | ||
| 1341 | R | 38.7 | Very low | 54.9 | Low | 205.4 Ų | 205.4 | 98.8 Ų | 98.8 | 78% | 0.775 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -63.1 | 106.4 | 171.2 | -96.4 | -175.5 | 173.9 | 174.6 | -2.4 | 107.8 | S1339 T1352 | S1339-R1341 PolarHBondContact O-N 3.05Å; S1339-R1341 VanDerWaalsContact O-N 3.11Å; R1341-T1352 HydrophobicContact CB-CG2 4.44Å |
| 1342 | S | 33.9 | Very low | 52.2 | Low | 85.4 Ų | 85.4 | 100.2 Ų | 100.2 | 60% | 0.597 | 48% | 0.482 | S | S | * | . | trans | 54.8 | 109.7 | 170.6 | 66.8 | 0 | 0 | 0 | 0 | 118.1 | E1340 F1344 S1345 | E1340-S1342 VanDerWaalsContact C-N 3.33Å; E1340-S1342 PolarHBondContact O-N 3Å; S1342-F1344 PolarHBondContact O-N 3.16Å; S1342-F1344 VanDerWaalsContact O-N 3.15Å; S1342-S1345 WeakPolarHBondContact O-CB 3.34Å; S1342-S1345 PolarHBondContact O-N 2.88Å; S1342-S1345 VanDerWaalsContact O-N 3.1Å; S1342-S1345 WeakPolarHBondContact OG-CB 3.34Å | ||
| 1343 | K | 33.6 | Very low | 49.8 | Very low | 141.6 Ų | 141.6 | 103.8 Ų | 103.8 | 62% | 0.616 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -52.4 | -6.7 | 164.6 | -84.8 | 177.4 | 179.5 | 169.5 | 0 | 115.6 | E1340 S1345 R1346 | E1340-K1343 WeakPolarHBondContact OE2-CE 3.42Å; E1340-K1343 IonicContact OE2-NZ 3.21Å; K1343-S1345 PolarHBondContact O-N 3.02Å; K1343-R1346 PolarHBondContact O-N 3.25Å |
| 1344 | F | 35.6 | Very low | 47.6 | Very low | 204.4 Ų | 204.4 | 107.3 Ų | 107.3 | 90% | 0.896 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -75 | -7.5 | 175.3 | -137.5 | -92.7 | 0 | 0 | 0 | 113.9 | S1342 R1346 | S1342-F1344 PolarHBondContact O-N 3.16Å; S1342-F1344 VanDerWaalsContact O-N 3.15Å; F1344-R1346 PolarHBondContact O-N 2.82Å |
| 1345 | S | 33.3 | Very low | 45.3 | Very low | 44 Ų | 44 | 112.6 Ų | 112.6 | 31% | 0.308 | 56% | 0.559 | S | S | . | * | G | 310 helix | trans | -109.5 | 37.6 | 176.1 | -169 | 0 | 0 | 0 | 0 | 112.9 | S1342 K1343 L1347 F1348 A1349 | S1342-S1345 WeakPolarHBondContact O-CB 3.34Å; S1342-S1345 PolarHBondContact O-N 2.88Å; S1342-S1345 VanDerWaalsContact O-N 3.1Å; S1342-S1345 WeakPolarHBondContact OG-CB 3.34Å; K1343-S1345 PolarHBondContact O-N 3.02Å; S1345-L1347 VanDerWaalsContact C-N 3.27Å; S1345-L1347 PolarHBondContact O-N 3.13Å; S1345-L1347 VanDerWaalsContact O-N 3.08Å; S1345-F1348 CarbonylContact O-C 3.55Å; S1345-F1348 PolarHBondContact O-N 3.3Å; S1345-F1348 VanDerWaalsContact O-N 3.13Å; S1345-F1348 VanDerWaalsContact OG-CB 3.27Å; S1345-F1348 WeakPolarHBondContact OG-CB 3.41Å; S1345-A1349 WeakPolarHBondContact O-CA 3.49Å; S1345-A1349 WeakPolarHBondContact O-CB 3.29Å; S1345-A1349 PolarHBondContact O-N 3.13Å |
| 1346 | R | 33 | Very low | 43.4 | Very low | 197 Ų | 197 | 115 Ų | 115 | 74% | 0.743 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -14 | 173.7 | -93.7 | -177 | -178.4 | 170.2 | -1.1 | 114.1 | E1340 K1343 F1344 | E1340-R1346 IonicContact OE1-NH2 3.29Å; E1340-R1346 IonicContact OE2-NH2 2.78Å; K1343-R1346 PolarHBondContact O-N 3.25Å; F1344-R1346 PolarHBondContact O-N 2.82Å |
| 1347 | L | 40.7 | Very low | 41.9 | Very low | 170.6 Ų | 170.6 | 116.6 Ų | 116.6 | 89% | 0.893 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -20.3 | 173.5 | -91.4 | 154 | 0 | 0 | 0 | 113.9 | S1345 | S1345-L1347 VanDerWaalsContact C-N 3.27Å; S1345-L1347 PolarHBondContact O-N 3.13Å; S1345-L1347 VanDerWaalsContact O-N 3.08Å |
| 1348 | F | 37.2 | Very low | 41 | Very low | 150.6 Ų | 150.6 | 111.7 Ų | 111.7 | 66% | 0.661 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | 3.2 | 177.9 | -96 | -88.1 | 0 | 0 | 0 | 114.6 | S1345 K1350 F1351 T1352 | S1345-F1348 CarbonylContact O-C 3.55Å; S1345-F1348 PolarHBondContact O-N 3.3Å; S1345-F1348 VanDerWaalsContact O-N 3.13Å; S1345-F1348 VanDerWaalsContact OG-CB 3.27Å; S1345-F1348 WeakPolarHBondContact OG-CB 3.41Å; F1348-K1350 PolarHBondContact O-N 3.04Å; F1348-F1351 HydrophobicContact CD1-CB 3.99Å; F1348-F1351 AromaticContact CD1-CD2 3.88Å; F1348-F1351 HydrophobicContact CD1-CD2 3.88Å; F1348-F1351 HydrophobicContact CD1-CG 4.22Å; F1348-F1351 AromaticContact CE1-CD2 3.8Å; F1348-F1351 HydrophobicContact CE1-CD2 3.8Å; F1348-F1351 HydrophobicContact CE1-CE2 4.33Å; F1348-F1351 HydrophobicContact CE1-CG 4.42Å; F1348-F1351 PolarHBondContact O-N 3.19Å; F1348-T1352 PolarHBondContact O-N 2.93Å; F1348-T1352 PolarHBondContact O-OG1 2.99Å |
| 1349 | A | 35.1 | Very low | 41.1 | Very low | 57.8 Ų | 57.8 | 113.1 Ų | 113.1 | 48% | 0.478 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63 | -6.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | S1345 F1351 S1353 | S1345-A1349 WeakPolarHBondContact O-CA 3.49Å; S1345-A1349 WeakPolarHBondContact O-CB 3.29Å; S1345-A1349 PolarHBondContact O-N 3.13Å; A1349-F1351 VanDerWaalsContact C-N 3.32Å; A1349-F1351 PolarHBondContact O-N 2.9Å; A1349-S1353 PolarHBondContact O-N 3.26Å; A1349-S1353 PolarHBondContact O-OG 2.92Å |
| 1350 | K | 39.4 | Very low | 41.7 | Very low | 207 Ų | 207 | 111.2 Ų | 111.2 | 90% | 0.9 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -21.1 | 168.1 | -101.2 | -176.5 | 176.6 | -179.3 | 0 | 113.4 | F1348 | F1348-K1350 PolarHBondContact O-N 3.04Š|
| 1351 | F | 40.6 | Very low | 43 | Very low | 178.4 Ų | 178.4 | 107.3 Ų | 107.3 | 78% | 0.782 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | -18.4 | -177 | -111.4 | -88.2 | 0 | 0 | 0 | 115 | F1348 A1349 S1354 | F1348-F1351 HydrophobicContact CD1-CB 3.99Å; F1348-F1351 AromaticContact CD1-CD2 3.88Å; F1348-F1351 HydrophobicContact CD1-CD2 3.88Å; F1348-F1351 HydrophobicContact CD1-CG 4.22Å; F1348-F1351 AromaticContact CE1-CD2 3.8Å; F1348-F1351 HydrophobicContact CE1-CD2 3.8Å; F1348-F1351 HydrophobicContact CE1-CE2 4.33Å; F1348-F1351 HydrophobicContact CE1-CG 4.42Å; F1348-F1351 PolarHBondContact O-N 3.19Å; A1349-F1351 VanDerWaalsContact C-N 3.32Å; A1349-F1351 PolarHBondContact O-N 2.9Å; F1351-S1354 WeakPolarHBondContact O-CB 3.28Å; F1351-S1354 PolarHBondContact O-N 2.99Å; F1351-S1354 PolarHBondContact O-OG 2.94Å |
| 1352 | T | 35.2 | Very low | 44.7 | Very low | 82.4 Ų | 82.4 | 101.2 Ų | 101.2 | 51% | 0.506 | 52% | 0.515 | S | S | . | . | trans | -110.7 | 39 | 179.9 | 46.2 | 0 | 0 | 0 | 0 | 113.6 | R1341 F1348 S1354 L1355 I1356 | R1341-T1352 HydrophobicContact CB-CG2 4.44Å; F1348-T1352 PolarHBondContact O-N 2.93Å; F1348-T1352 PolarHBondContact O-OG1 2.99Å; T1352-S1354 VanDerWaalsContact C-N 3.27Å; T1352-S1354 PolarHBondContact O-N 3.09Å; T1352-S1354 VanDerWaalsContact O-N 3.16Å; T1352-L1355 PolarHBondContact O-N 2.74Å; T1352-I1356 PolarHBondContact O-N 2.74Å | ||
| 1353 | S | 41.4 | Very low | 46.8 | Very low | 76 Ų | 76 | 98.1 Ų | 98.1 | 53% | 0.531 | 49% | 0.492 | S | S | . | . | trans | -66.6 | -17.9 | 172.8 | -148.2 | 0 | 0 | 0 | 0 | 113.4 | A1349 L1355 V1357 | A1349-S1353 PolarHBondContact O-N 3.26Å; A1349-S1353 PolarHBondContact O-OG 2.92Å; S1353-L1355 PolarHBondContact O-N 3.13Å; S1353-V1357 VanDerWaalsContact O-CB 3.22Å; S1353-V1357 WeakPolarHBondContact O-CB 3.41Å; S1353-V1357 VanDerWaalsContact O-CG2 3.29Å; S1353-V1357 WeakPolarHBondContact O-CG2 3.3Å; S1353-V1357 PolarHBondContact O-N 3.02Å; S1353-V1357 WeakPolarHBondContact OG-CG2 3.42Å | ||
| 1354 | S | 45.5 | Very low | 49 | Very low | 74.4 Ų | 74.4 | 96.4 Ų | 96.4 | 52% | 0.52 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.5 | -40.8 | -171.6 | 138.5 | 0 | 0 | 0 | 0 | 114.6 | F1351 T1352 I1356 V1357 A1358 | F1351-S1354 WeakPolarHBondContact O-CB 3.28Å; F1351-S1354 PolarHBondContact O-N 2.99Å; F1351-S1354 PolarHBondContact O-OG 2.94Å; T1352-S1354 VanDerWaalsContact C-N 3.27Å; T1352-S1354 PolarHBondContact O-N 3.09Å; T1352-S1354 VanDerWaalsContact O-N 3.16Å; S1354-I1356 PolarHBondContact O-N 2.7Å; S1354-V1357 PolarHBondContact O-N 2.79Å; S1354-A1358 WeakPolarHBondContact O-CB 3.38Å; S1354-A1358 PolarHBondContact O-N 2.88Å |
| 1355 | L | 41.5 | Very low | 51.2 | Low | 114 Ų | 114 | 86.8 Ų | 86.8 | 60% | 0.597 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -81.4 | -31.9 | -168.8 | -101.7 | 151.4 | 0 | 0 | 0 | 115 | T1352 S1353 V1357 | T1352-L1355 PolarHBondContact O-N 2.74Å; S1353-L1355 PolarHBondContact O-N 3.13Å; L1355-V1357 PolarHBondContact O-N 3.26Å |
| 1356 | I | 44.3 | Very low | 53.4 | Low | 83 Ų | 83 | 86.4 Ų | 86.4 | 43% | 0.426 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -77.6 | -38.6 | 175.1 | -60 | 170.7 | 0 | 0 | 0 | 109.8 | E1340 T1352 S1354 A1358 R1359 F1360 | E1340-I1356 HydrophobicContact CB-CD1 4.19Å; E1340-I1356 HydrophobicContact CG-CD1 3.57Å; E1340-I1356 HydrophobicContact CG-CG1 4.03Å; E1340-I1356 WeakPolarHBondContact OE1-CD1 3.41Å; T1352-I1356 PolarHBondContact O-N 2.74Å; S1354-I1356 PolarHBondContact O-N 2.7Å; I1356-A1358 VanDerWaalsContact C-N 3.28Å; I1356-A1358 PolarHBondContact O-N 3.07Å; I1356-R1359 PolarHBondContact O-N 3.1Å; I1356-R1359 VanDerWaalsContact O-N 3.13Å; I1356-F1360 HydrophobicContact CG2-CE2 4.33Å; I1356-F1360 WeakPolarHBondContact O-CD2 3.42Å |
| 1357 | V | 46.9 | Very low | 55.5 | Low | 62.6 Ų | 62.6 | 77.9 Ų | 77.9 | 38% | 0.379 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68.1 | -27.3 | -178 | 177.6 | 0 | 0 | 0 | 0 | 111.3 | S1353 S1354 L1355 R1359 F1360 K1586 | S1353-V1357 VanDerWaalsContact O-CB 3.22Å; S1353-V1357 WeakPolarHBondContact O-CB 3.41Å; S1353-V1357 VanDerWaalsContact O-CG2 3.29Å; S1353-V1357 WeakPolarHBondContact O-CG2 3.3Å; S1353-V1357 PolarHBondContact O-N 3.02Å; S1353-V1357 WeakPolarHBondContact OG-CG2 3.42Å; S1354-V1357 PolarHBondContact O-N 2.79Å; L1355-V1357 PolarHBondContact O-N 3.26Å; V1357-R1359 VanDerWaalsContact C-N 3.28Å; V1357-R1359 PolarHBondContact O-N 3.19Å; V1357-R1359 VanDerWaalsContact O-N 3.15Å; V1357-F1360 PolarHBondContact O-N 3.16Å; V1357-K1586 HydrophobicContact CG1-CD 3.91Å; V1357-K1586 VanDerWaalsContact CG1-CE 3.49Å; V1357-K1586 VanDerWaalsContact CG1-NZ 3.3Å; V1357-K1586 VanDerWaalsContact O-CD 3.24Å; V1357-K1586 WeakPolarHBondContact O-CD 3.22Å; V1357-K1586 WeakPolarHBondContact O-CE 3.4Å; V1357-K1586 PolarHBondContact O-NZ 3.29Å |
| 1358 | A | 50.8 | Low | 57 | Low | 6.6 Ų | 6.6 | 71.5 Ų | 71.5 | 6% | 0.055 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -18 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | S1354 I1356 A1583 K1586 | S1354-A1358 WeakPolarHBondContact O-CB 3.38Å; S1354-A1358 PolarHBondContact O-N 2.88Å; I1356-A1358 VanDerWaalsContact C-N 3.28Å; I1356-A1358 PolarHBondContact O-N 3.07Å; A1358-A1583 VanDerWaalsContact O-CB 3.24Å; A1358-A1583 WeakPolarHBondContact O-CB 3.44Å; A1358-A1583 PolarHBondContact O-N 2.92Å; A1358-K1586 HydrophobicContact CB-CB 3.93Å; A1358-K1586 WeakPolarHBondContact CB-O 3.38Å |
| 1359 | R | 58.7 | Low | 58.4 | Low | 48.8 Ų | 48.8 | 70.4 Ų | 70.4 | 18% | 0.184 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -8.7 | -177.3 | -62.1 | -169.6 | -174.9 | -156.3 | 2.3 | 114.8 | M1336 R1337 G1338 I1356 V1357 H1379 I1380 S1580 | M1336-R1359 PolarHBondContact O-NH1 3.48Å; R1337-R1359 PolarHBondContact O-NH1 3.06Å; G1338-R1359 VanDerWaalsContact N-NH1 3.15Å; I1356-R1359 PolarHBondContact O-N 3.1Å; I1356-R1359 VanDerWaalsContact O-N 3.13Å; V1357-R1359 VanDerWaalsContact C-N 3.28Å; V1357-R1359 PolarHBondContact O-N 3.19Å; V1357-R1359 VanDerWaalsContact O-N 3.15Å; R1359-H1379 WeakPolarHBondContact O-CA 3.41Å; R1359-I1380 PolarHBondContact O-N 3.17Å; R1359-I1380 VanDerWaalsContact O-N 3.14Å; R1359-S1580 VanDerWaalsContact CZ-CB 3.44Å; R1359-S1580 VanDerWaalsContact NH1-CB 3.29Å; R1359-S1580 VanDerWaalsContact NH2-CB 3.29Å; R1359-S1580 PolarHBondContact NH2-OG 2.83Å |
| 1360 | F | 66.3 | Low | 60.1 | Low | 27.8 Ų | 27.8 | 73.4 Ų | 73.4 | 12% | 0.122 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 124.8 | 179.6 | -63.3 | -84.8 | 0 | 0 | 0 | 109.2 | R1337 I1356 V1357 E1377 R1378 H1379 K1586 | R1337-F1360 HydrophobicContact CG-CZ 4.17Å; R1337-F1360 VanDerWaalsContact NE-CZ 3.31Å; I1356-F1360 HydrophobicContact CG2-CE2 4.33Å; I1356-F1360 WeakPolarHBondContact O-CD2 3.42Å; V1357-F1360 PolarHBondContact O-N 3.16Å; F1360-E1377 HydrophobicContact CB-CB 4.46Å; F1360-E1377 HydrophobicContact CD1-CB 4.25Å; F1360-R1378 CarbonylContact C-O 3.5Å; F1360-R1378 WeakPolarHBondContact CA-O 3.43Å; F1360-H1379 HydrophobicContact CD1-CB 4.25Å; F1360-H1379 HydrophobicContact CE1-CB 4.03Å; F1360-H1379 AromaticContact CE1-CD2 3.68Å; F1360-H1379 AromaticContact CZ-CD2 3.72Å; F1360-K1586 PolarHBondContact O-NZ 3.2Å |
| 1361 | R | 72.5 | Confident | 61.8 | Low | 35 Ų | 35 | 65.9 Ų | 65.9 | 13% | 0.132 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 142 | 163.1 | 67 | -177.5 | 179.5 | 115.2 | 1.9 | 109.5 | E1117 V1363 E1377 R1378 I1380 L1446 | E1117-R1361 IonicContact OE1-CZ 3.14Å; E1117-R1361 VanDerWaalsContact OE1-CZ 3.25Å; E1117-R1361 IonicContact OE1-NH1 3.23Å; E1117-R1361 PolarHBondContact OE1-NH1 2.97Å; E1117-R1361 IonicContact OE1-NH2 3.45Å; E1117-R1361 PolarHBondContact OE1-NH2 3.21Å; E1117-R1361 IonicContact OE2-NH2 3.46Å; E1117-R1361 PolarHBondContact OE2-NH2 2.78Å; R1361-V1363 HydrophobicContact CG-CG2 4.18Å; R1361-V1363 VanDerWaalsContact CZ-CG2 3.44Å; R1361-V1363 VanDerWaalsContact NH1-CG2 3.28Å; R1361-E1377 CarbonylContact O-C 3.48Å; R1361-E1377 WeakPolarHBondContact O-CA 3.34Å; R1361-R1378 HydrophobicContact CG-CB 3.76Å; R1361-R1378 WeakPolarHBondContact CG-O 3.42Å; R1361-R1378 PolarHBondContact N-O 2.81Å; R1361-R1378 VanDerWaalsContact NH2-CZ 3.34Å; R1361-R1378 VanDerWaalsContact NH2-NE 3.16Å; R1361-R1378 PolarHBondContact O-N 2.89Å; R1361-I1380 HydrophobicContact CB-CD1 4.17Å; R1361-I1380 HydrophobicContact CB-CG1 4.42Å; R1361-I1380 HydrophobicContact CG-CD1 4.36Å; R1361-I1380 HydrophobicContact CG-CG1 4.35Å; R1361-L1446 VanDerWaalsContact CD-CD1 3.45Å; R1361-L1446 VanDerWaalsContact NE-CD1 3.27Å |
| 1362 | T | 74.2 | Confident | 63.6 | Low | 78.8 Ų | 78.8 | 59 Ų | 59 | 48% | 0.483 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 128.8 | 169 | 24.8 | 0 | 0 | 0 | 0 | 109 | T1375 | T1362-T1375 HydrophobicContact CG2-CG2 3.86Å |
| 1363 | V | 76.4 | Confident | 65.8 | Low | 19.8 Ų | 19.8 | 62.3 Ų | 62.3 | 12% | 0.12 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 120.4 | 174.7 | -177.8 | 0 | 0 | 0 | 0 | 108.2 | R1361 F1365 T1375 L1376 R1378 | R1361-V1363 HydrophobicContact CG-CG2 4.18Å; R1361-V1363 VanDerWaalsContact CZ-CG2 3.44Å; R1361-V1363 VanDerWaalsContact NH1-CG2 3.28Å; V1363-F1365 PolarHBondContact O-N 3.16Å; V1363-T1375 WeakPolarHBondContact O-CA 3.43Å; V1363-L1376 PolarHBondContact N-O 3.06Å; V1363-L1376 PolarHBondContact O-N 3.07Å; V1363-R1378 HydrophobicContact CB-CG 4.45Å; V1363-R1378 HydrophobicContact CG2-CB 4.27Å; V1363-R1378 HydrophobicContact CG2-CG 3.87Å |
| 1364 | N | 80.3 | Confident | 67.6 | Low | 105.4 Ų | 105.4 | 60 Ų | 60 | 56% | 0.564 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 106.1 | 174.9 | -65.7 | -15.3 | 0 | 0 | 0 | 108.4 | A1366 F1373 T1375 | N1364-A1366 PolarHBondContact O-N 2.77Å; N1364-F1373 HydrophobicContact CB-CB 4.26Å; N1364-F1373 HydrophobicContact CB-CD1 4.24Å; N1364-F1373 HydrophobicContact CB-CG 4.4Å; N1364-T1375 VanDerWaalsContact OD1-CG2 3.29Å; N1364-T1375 WeakPolarHBondContact OD1-CG2 3.37Å; N1364-T1375 PolarHBondContact OD1-OG1 2.84Å |
| 1365 | F | 81 | Confident | 69.2 | Low | 3.6 Ų | 3.6 | 61.2 Ų | 61.2 | 2% | 0.016 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 118.3 | 177.9 | 171.3 | -96.1 | 0 | 0 | 0 | 109.8 | P961 P1023 N1121 A1122 W1125 V1363 L1367 F1373 S1374 L1376 | P961-F1365 HydrophobicContact CB-CE1 4.12Å; P961-F1365 HydrophobicContact CG-CE1 3.95Å; P961-F1365 HydrophobicContact CG-CZ 3.97Å; P1023-F1365 HydrophobicContact CG-CD2 3.89Å; P1023-F1365 HydrophobicContact CG-CE1 4.41Å; P1023-F1365 HydrophobicContact CG-CE2 3.44Å; P1023-F1365 VanDerWaalsContact CG-CE2 3.44Å; P1023-F1365 HydrophobicContact CG-CG 4.44Å; P1023-F1365 HydrophobicContact CG-CZ 3.73Å; N1121-F1365 HydrophobicContact CB-CD2 3.66Å; N1121-F1365 VanDerWaalsContact CB-CD2 3.44Å; N1121-F1365 HydrophobicContact CB-CE2 3.9Å; N1121-F1365 HydrophobicContact CB-CG 4.35Å; A1122-F1365 HydrophobicContact CB-CE2 4.18Å; A1122-F1365 HydrophobicContact CB-CZ 3.89Å; W1125-F1365 HydrophobicContact CB-CD1 4.21Å; W1125-F1365 HydrophobicContact CB-CE1 4.31Å; W1125-F1365 HydrophobicContact CD2-CD1 4.15Å; W1125-F1365 AromaticContact CD2-CE1 3.82Å; W1125-F1365 HydrophobicContact CD2-CE1 3.82Å; W1125-F1365 HydrophobicContact CE3-CD1 4.45Å; W1125-F1365 AromaticContact CE3-CE1 3.73Å; W1125-F1365 HydrophobicContact CE3-CE1 3.73Å; W1125-F1365 HydrophobicContact CE3-CZ 4.33Å; W1125-F1365 AromaticContact CG-CD1 3.95Å; W1125-F1365 HydrophobicContact CG-CD1 3.99Å; W1125-F1365 HydrophobicContact CG-CE1 4.07Å; W1125-F1365 HydrophobicContact CZ3-CE1 4.27Å; V1363-F1365 PolarHBondContact O-N 3.16Å; F1365-L1367 HydrophobicContact CD1-CD2 3.81Å; F1365-L1367 HydrophobicContact CD2-CD1 3.99Å; F1365-L1367 HydrophobicContact CD2-CG 3.85Å; F1365-L1367 HydrophobicContact CE1-CD2 4.1Å; F1365-L1367 HydrophobicContact CE2-CD1 3.25Å; F1365-L1367 HydrophobicContact CE2-CD2 3.88Å; F1365-L1367 HydrophobicContact CE2-CG 3.41Å; F1365-L1367 VanDerWaalsContact CE2-CG 3.41Å; F1365-L1367 HydrophobicContact CZ-CD1 3.6Å; F1365-L1367 HydrophobicContact CZ-CG 4.27Å; F1365-L1367 PolarHBondContact O-N 3.25Å; F1365-F1373 WeakPolarHBondContact O-CA 3.39Å; F1365-S1374 WeakPolarHBondContact CB-O 3.47Å; F1365-S1374 WeakPolarHBondContact CD1-O 3.39Å; F1365-S1374 WeakPolarHBondContact CE1-O 3.48Å; F1365-S1374 WeakPolarHBondContact CE1-OG 3.48Å; F1365-S1374 WeakPolarHBondContact CZ-OG 3.35Å; F1365-S1374 PolarHBondContact N-O 3.01Å; F1365-S1374 PolarHBondContact O-N 3.02Å; F1365-L1376 HydrophobicContact CB-CD1 3.74Å; F1365-L1376 HydrophobicContact CB-CG 4.19Å; F1365-L1376 HydrophobicContact CD1-CB 4.45Å; F1365-L1376 HydrophobicContact CD1-CD1 4.33Å; F1365-L1376 HydrophobicContact CD1-CG 4.44Å; F1365-L1376 HydrophobicContact CD2-CD1 4.43Å; F1365-L1376 HydrophobicContact CE1-CB 3.85Å; F1365-L1376 HydrophobicContact CE1-CD1 3.39Å; F1365-L1376 HydrophobicContact CE1-CG 3.42Å; F1365-L1376 VanDerWaalsContact CE1-CG 3.42Å; F1365-L1376 HydrophobicContact CE2-CD1 4.49Å; F1365-L1376 HydrophobicContact CG-CD1 4.16Å; F1365-L1376 HydrophobicContact CZ-CD1 3.47Å; F1365-L1376 VanDerWaalsContact CZ-CD1 3.47Å; F1365-L1376 HydrophobicContact CZ-CG 3.86Å |
| 1366 | A | 80.8 | Confident | 71 | Confident | 35.2 Ų | 35.2 | 56.5 Ų | 56.5 | 29% | 0.291 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 123.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | P1023 N1364 G1368 F1373 | P1023-A1366 HydrophobicContact CB-CB 4.31Å; P1023-A1366 HydrophobicContact CG-CB 4.48Å; P1023-A1366 VanDerWaalsContact CG-O 3.31Å; P1023-A1366 WeakPolarHBondContact CG-O 3.45Å; N1364-A1366 PolarHBondContact O-N 2.77Å; A1366-G1368 VanDerWaalsContact C-N 3.26Å; A1366-G1368 PolarHBondContact O-N 2.82Å; A1366-G1368 VanDerWaalsContact O-N 3.14Å; A1366-F1373 HydrophobicContact CB-CD1 3.89Å; A1366-F1373 HydrophobicContact CB-CE1 3.75Å; A1366-F1373 HydrophobicContact CB-CZ 4.47Å |
| 1367 | L | 75.9 | Confident | 72.5 | Confident | 17.2 Ų | 17.2 | 58.7 Ų | 58.7 | 9% | 0.09 | 32% | 0.317 | C | S | . | . | trans | -91 | 0.5 | 178.5 | -63.7 | 169.8 | 0 | 0 | 0 | 112.4 | P961 S962 W1125 F1365 F1371 G1372 S1374 | P961-L1367 HydrophobicContact CB-CD2 4.37Å; S962-L1367 WeakPolarHBondContact CA-O 3.38Å; S962-L1367 WeakPolarHBondContact CB-O 3.25Å; S962-L1367 PolarHBondContact N-O 3.1Å; S962-L1367 VanDerWaalsContact N-O 3.1Å; S962-L1367 PolarHBondContact OG-O 3.18Å; W1125-L1367 HydrophobicContact CD2-CD2 4.19Å; W1125-L1367 VanDerWaalsContact CE2-CD2 3.45Å; W1125-L1367 HydrophobicContact CH2-CD2 4.24Å; W1125-L1367 HydrophobicContact CZ2-CD2 3.46Å; W1125-L1367 VanDerWaalsContact CZ2-CD2 3.49Å; F1365-L1367 HydrophobicContact CD1-CD2 3.81Å; F1365-L1367 HydrophobicContact CD2-CD1 3.99Å; F1365-L1367 HydrophobicContact CD2-CG 3.85Å; F1365-L1367 HydrophobicContact CE1-CD2 4.1Å; F1365-L1367 HydrophobicContact CE2-CD1 3.25Å; F1365-L1367 HydrophobicContact CE2-CD2 3.88Å; F1365-L1367 HydrophobicContact CE2-CG 3.41Å; F1365-L1367 VanDerWaalsContact CE2-CG 3.41Å; F1365-L1367 HydrophobicContact CZ-CD1 3.6Å; F1365-L1367 HydrophobicContact CZ-CG 4.27Å; F1365-L1367 PolarHBondContact O-N 3.25Å; L1367-F1371 HydrophobicContact CB-CB 3.67Å; L1367-F1371 HydrophobicContact CB-CD2 4.45Å; L1367-F1371 HydrophobicContact CB-CG 4.45Å; L1367-F1371 HydrophobicContact CD1-CB 4.17Å; L1367-F1371 HydrophobicContact CG-CB 4.5Å; L1367-G1372 WeakPolarHBondContact CB-O 3.4Å; L1367-G1372 PolarHBondContact N-O 3.16Å; L1367-G1372 VanDerWaalsContact N-O 3.08Å; L1367-S1374 VanDerWaalsContact CD1-OG 3.23Å; L1367-S1374 WeakPolarHBondContact CD1-OG 3.38Å | ||
| 1368 | G | 72.2 | Confident | 73.9 | Confident | 37.4 Ų | 37.4 | 57.2 Ų | 57.2 | 39% | 0.386 | 30% | 0.304 | S | S | . | . | trans | 79.7 | 165.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S962 A1366 K1370 F1371 G1372 | S962-G1368 WeakPolarHBondContact OG-CA 3.44Å; A1366-G1368 VanDerWaalsContact C-N 3.26Å; A1366-G1368 PolarHBondContact O-N 2.82Å; A1366-G1368 VanDerWaalsContact O-N 3.14Å; G1368-K1370 VanDerWaalsContact C-N 3.34Å; G1368-K1370 PolarHBondContact O-N 3.42Å; G1368-F1371 WeakPolarHBondContact O-CB 3.44Å; G1368-F1371 WeakPolarHBondContact O-CD2 3.45Å; G1368-F1371 PolarHBondContact O-N 3.14Å; G1368-G1372 PolarHBondContact O-N 3.04Å | ||
| 1369 | H | 68.1 | Low | 75.1 | Confident | 126.6 Ų | 126.6 | 57.8 Ų | 57.8 | 59% | 0.586 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | 12.2 | -112.4 | -172.1 | -103.8 | -88.9 | 0 | 0 | 0 | 113.7 | S962 F1371 | S962-H1369 WeakPolarHBondContact CB-CD2 3.43Å; S962-H1369 PolarHBondContact OG-CD2 3.13Å; H1369-F1371 HydrophobicContact CB-CD2 4.32Å; H1369-F1371 PolarHBondContact O-N 2.84Å |
| 1370 | K | 70.2 | Confident | 76 | Confident | 120.4 Ų | 120.4 | 56.4 Ų | 56.4 | 52% | 0.523 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -84 | 1.1 | 179.7 | -64 | -167.7 | 171.5 | -177.5 | 0 | 114.9 | F876 E877 G1368 G1372 | F876-K1370 WeakPolarHBondContact O-CD 3.48Å; E877-K1370 HydrophobicContact CB-CD 4.15Å; E877-K1370 VanDerWaalsContact CD-CE 3.45Å; E877-K1370 HydrophobicContact CG-CD 4.14Å; E877-K1370 PolarHBondContact O-NZ 3.13Å; E877-K1370 IonicContact OE1-NZ 3.26Å; E877-K1370 PolarHBondContact OE1-NZ 3.08Å; E877-K1370 WeakPolarHBondContact OE2-CD 3.33Å; E877-K1370 WeakPolarHBondContact OE2-CE 3.42Å; E877-K1370 IonicContact OE2-NZ 3.47Å; E877-K1370 PolarHBondContact OE2-NZ 2.98Å; G1368-K1370 VanDerWaalsContact C-N 3.34Å; G1368-K1370 PolarHBondContact O-N 3.42Å; K1370-G1372 VanDerWaalsContact C-N 3.28Å; K1370-G1372 PolarHBondContact O-N 2.9Å |
| 1371 | F | 74.2 | Confident | 76.4 | Confident | 50.2 Ų | 50.2 | 56.1 Ų | 56.1 | 22% | 0.22 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -88.7 | -13.3 | 176.5 | -65.3 | -69.5 | 0 | 0 | 0 | 113.3 | L873 F876 M965 L966 K969 L1367 G1368 H1369 | L873-F1371 HydrophobicContact CD1-CZ 4.36Å; F876-F1371 HydrophobicContact CB-CD1 4.37Å; F876-F1371 HydrophobicContact CB-CE1 3.95Å; F876-F1371 HydrophobicContact CB-CE2 4.47Å; F876-F1371 HydrophobicContact CB-CZ 4.03Å; F876-F1371 AromaticContact CD1-CD1 3.6Å; F876-F1371 HydrophobicContact CD1-CD1 3.6Å; F876-F1371 VanDerWaalsContact CD1-CD1 3.46Å; F876-F1371 AromaticContact CD1-CE1 3.59Å; F876-F1371 HydrophobicContact CD1-CE1 3.59Å; F876-F1371 VanDerWaalsContact CD1-CE1 3.5Å; F876-F1371 HydrophobicContact CD1-CG 4.3Å; F876-F1371 HydrophobicContact CD1-CZ 4.43Å; F876-F1371 AromaticContact CD2-CE1 3.88Å; F876-F1371 HydrophobicContact CD2-CE1 3.95Å; F876-F1371 HydrophobicContact CD2-CZ 4.47Å; F876-F1371 AromaticContact CE1-CD1 3.92Å; F876-F1371 HydrophobicContact CE1-CD1 4.05Å; F876-F1371 HydrophobicContact CE1-CE1 4.17Å; F876-F1371 HydrophobicContact CE2-CE1 4.41Å; F876-F1371 AromaticContact CG-CD1 3.9Å; F876-F1371 HydrophobicContact CG-CD1 4.02Å; F876-F1371 AromaticContact CG-CE1 3.5Å; F876-F1371 HydrophobicContact CG-CE1 3.5Å; F876-F1371 VanDerWaalsContact CG-CE1 3.41Å; F876-F1371 AromaticContact CG-CZ 3.97Å; F876-F1371 HydrophobicContact CG-CZ 4.08Å; F876-F1371 HydrophobicContact CZ-CE1 4.49Å; M965-F1371 HydrophobicContact CB-CD1 4.3Å; M965-F1371 HydrophobicContact CB-CD2 4.28Å; M965-F1371 HydrophobicContact CB-CE1 4.08Å; M965-F1371 HydrophobicContact CB-CE2 4.06Å; M965-F1371 HydrophobicContact CB-CG 4.4Å; M965-F1371 HydrophobicContact CB-CZ 3.96Å; M965-F1371 HydrophobicContact CE-CD1 4.43Å; L966-F1371 HydrophobicContact CD2-CE2 4.36Å; L966-F1371 HydrophobicContact CD2-CZ 4.01Å; L966-F1371 HydrophobicContact CG-CE2 4.3Å; L966-F1371 HydrophobicContact CG-CZ 4.24Å; K969-F1371 HydrophobicContact CD-CE1 4.5Å; L1367-F1371 HydrophobicContact CB-CB 3.67Å; L1367-F1371 HydrophobicContact CB-CD2 4.45Å; L1367-F1371 HydrophobicContact CB-CG 4.45Å; L1367-F1371 HydrophobicContact CD1-CB 4.17Å; L1367-F1371 HydrophobicContact CG-CB 4.5Å; G1368-F1371 WeakPolarHBondContact O-CB 3.44Å; G1368-F1371 WeakPolarHBondContact O-CD2 3.45Å; G1368-F1371 PolarHBondContact O-N 3.14Å; H1369-F1371 HydrophobicContact CB-CD2 4.32Å; H1369-F1371 PolarHBondContact O-N 2.84Å |
| 1372 | G | 79.4 | Confident | 76.9 | Confident | 33.2 Ų | 33.2 | 56.7 Ų | 56.7 | 34% | 0.342 | 31% | 0.314 | S | S | . | . | trans | 72.2 | -148.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1367 G1368 K1370 | L1367-G1372 WeakPolarHBondContact CB-O 3.4Å; L1367-G1372 PolarHBondContact N-O 3.16Å; L1367-G1372 VanDerWaalsContact N-O 3.08Å; G1368-G1372 PolarHBondContact O-N 3.04Å; K1370-G1372 VanDerWaalsContact C-N 3.28Å; K1370-G1372 PolarHBondContact O-N 2.9Å | ||
| 1373 | F | 81.1 | Confident | 77.5 | Confident | 152.2 Ų | 152.2 | 55.1 Ų | 55.1 | 67% | 0.668 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 141.2 | -178.6 | -59.8 | -87.2 | 0 | 0 | 0 | 111 | N1364 F1365 A1366 | N1364-F1373 HydrophobicContact CB-CB 4.26Å; N1364-F1373 HydrophobicContact CB-CD1 4.24Å; N1364-F1373 HydrophobicContact CB-CG 4.4Å; F1365-F1373 WeakPolarHBondContact O-CA 3.39Å; A1366-F1373 HydrophobicContact CB-CD1 3.89Å; A1366-F1373 HydrophobicContact CB-CE1 3.75Å; A1366-F1373 HydrophobicContact CB-CZ 4.47Å |
| 1374 | S | 80 | Confident | 78.1 | Confident | 27.4 Ų | 27.4 | 54.9 Ų | 54.9 | 19% | 0.192 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 124.7 | 167.7 | 168.2 | 0 | 0 | 0 | 0 | 109.7 | F1365 L1367 L1376 | F1365-S1374 WeakPolarHBondContact CB-O 3.47Å; F1365-S1374 WeakPolarHBondContact CD1-O 3.39Å; F1365-S1374 WeakPolarHBondContact CE1-O 3.48Å; F1365-S1374 WeakPolarHBondContact CE1-OG 3.48Å; F1365-S1374 WeakPolarHBondContact CZ-OG 3.35Å; F1365-S1374 PolarHBondContact N-O 3.01Å; F1365-S1374 PolarHBondContact O-N 3.02Å; L1367-S1374 VanDerWaalsContact CD1-OG 3.23Å; L1367-S1374 WeakPolarHBondContact CD1-OG 3.38Å; S1374-L1376 PolarHBondContact O-N 3.15Å |
| 1375 | T | 79.5 | Confident | 78.7 | Confident | 99.8 Ų | 99.8 | 53.1 Ų | 53.1 | 61% | 0.612 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 114.8 | 174.6 | 34.6 | 0 | 0 | 0 | 0 | 109.7 | T1362 V1363 N1364 | T1362-T1375 HydrophobicContact CG2-CG2 3.86Å; V1363-T1375 WeakPolarHBondContact O-CA 3.43Å; N1364-T1375 VanDerWaalsContact OD1-CG2 3.29Å; N1364-T1375 WeakPolarHBondContact OD1-CG2 3.37Å; N1364-T1375 PolarHBondContact OD1-OG1 2.84Å |
| 1376 | L | 79.3 | Confident | 79.2 | Confident | 15.2 Ų | 15.2 | 53 Ų | 53 | 8% | 0.08 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 132.4 | 176.1 | -65.9 | 176.7 | 0 | 0 | 0 | 110.3 | N1121 W1125 V1363 F1365 S1374 R1378 | N1121-L1376 HydrophobicContact CB-CD1 4.18Å; N1121-L1376 WeakPolarHBondContact O-CD1 3.38Å; W1125-L1376 HydrophobicContact CB-CD1 4.09Å; W1125-L1376 HydrophobicContact CB-CD2 4.15Å; V1363-L1376 PolarHBondContact N-O 3.06Å; V1363-L1376 PolarHBondContact O-N 3.07Å; F1365-L1376 HydrophobicContact CB-CD1 3.74Å; F1365-L1376 HydrophobicContact CB-CG 4.19Å; F1365-L1376 HydrophobicContact CD1-CB 4.45Å; F1365-L1376 HydrophobicContact CD1-CD1 4.33Å; F1365-L1376 HydrophobicContact CD1-CG 4.44Å; F1365-L1376 HydrophobicContact CD2-CD1 4.43Å; F1365-L1376 HydrophobicContact CE1-CB 3.85Å; F1365-L1376 HydrophobicContact CE1-CD1 3.39Å; F1365-L1376 HydrophobicContact CE1-CG 3.42Å; F1365-L1376 VanDerWaalsContact CE1-CG 3.42Å; F1365-L1376 HydrophobicContact CE2-CD1 4.49Å; F1365-L1376 HydrophobicContact CG-CD1 4.16Å; F1365-L1376 HydrophobicContact CZ-CD1 3.47Å; F1365-L1376 VanDerWaalsContact CZ-CD1 3.47Å; F1365-L1376 HydrophobicContact CZ-CG 3.86Å; S1374-L1376 PolarHBondContact O-N 3.15Å; L1376-R1378 PolarHBondContact O-N 2.7Å |
| 1377 | E | 75 | Confident | 79.6 | Confident | 130.2 Ų | 130.2 | 52.6 Ų | 52.6 | 61% | 0.608 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 126.1 | 170.8 | -66.3 | -173 | 162.2 | 0 | 0 | 111.2 | F1360 R1361 | F1360-E1377 HydrophobicContact CB-CB 4.46Å; F1360-E1377 HydrophobicContact CD1-CB 4.25Å; R1361-E1377 CarbonylContact O-C 3.48Å; R1361-E1377 WeakPolarHBondContact O-CA 3.34Å |
| 1378 | R | 76.4 | Confident | 80.2 | Confident | 30.6 Ų | 30.6 | 52.1 Ų | 52.1 | 12% | 0.115 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 121.8 | 175.3 | -70.9 | -110.1 | -117.8 | 157.7 | 1.1 | 109.9 | E1117 I1120 N1121 K1124 F1360 R1361 V1363 L1376 | E1117-R1378 PolarHBondContact O-NH2 2.99Å; E1117-R1378 IonicContact OE1-NH1 2.82Å; I1120-R1378 VanDerWaalsContact C-NH2 3.34Å; I1120-R1378 VanDerWaalsContact CB-NH2 3.34Å; I1120-R1378 VanDerWaalsContact CG2-CZ 3.45Å; N1121-R1378 WeakPolarHBondContact OD1-CD 3.43Å; N1121-R1378 PolarHBondContact OD1-NE 2.98Å; N1121-R1378 PolarHBondContact OD1-NH2 3.17Å; K1124-R1378 VanDerWaalsContact NZ-NH1 3.12Å; F1360-R1378 CarbonylContact C-O 3.5Å; F1360-R1378 WeakPolarHBondContact CA-O 3.43Å; R1361-R1378 HydrophobicContact CG-CB 3.76Å; R1361-R1378 WeakPolarHBondContact CG-O 3.42Å; R1361-R1378 PolarHBondContact N-O 2.81Å; R1361-R1378 VanDerWaalsContact NH2-CZ 3.34Å; R1361-R1378 VanDerWaalsContact NH2-NE 3.16Å; R1361-R1378 PolarHBondContact O-N 2.89Å; V1363-R1378 HydrophobicContact CB-CG 4.45Å; V1363-R1378 HydrophobicContact CG2-CB 4.27Å; V1363-R1378 HydrophobicContact CG2-CG 3.87Å; L1376-R1378 PolarHBondContact O-N 2.7Å |
| 1379 | H | 75.8 | Confident | 80.6 | Confident | 18.2 Ų | 18.2 | 51.6 Ų | 51.6 | 8% | 0.084 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 140.3 | 169.5 | -170 | -115.7 | 0 | 0 | 0 | 110.6 | Q1294 E1335 M1336 R1359 F1360 G1381 | Q1294-H1379 HydrophobicContact CG-CB 4.14Å; Q1294-H1379 PolarHBondContact OE1-ND1 2.79Å; E1335-H1379 IonicContact OE1-CE1 2.86Å; E1335-H1379 IonicContact OE1-CG 3.33Å; E1335-H1379 IonicContact OE1-ND1 3.46Å; E1335-H1379 PolarHBondContact OE1-ND1 2.82Å; M1336-H1379 PolarHBondContact O-CE1 3.14Å; M1336-H1379 VanDerWaalsContact O-CE1 3.29Å; M1336-H1379 PolarHBondContact O-NE2 2.89Å; R1359-H1379 WeakPolarHBondContact O-CA 3.41Å; F1360-H1379 HydrophobicContact CD1-CB 4.25Å; F1360-H1379 HydrophobicContact CE1-CB 4.03Å; F1360-H1379 AromaticContact CE1-CD2 3.68Å; F1360-H1379 AromaticContact CZ-CD2 3.72Å; H1379-G1381 VanDerWaalsContact CE1-CA 3.44Å; H1379-G1381 WeakPolarHBondContact CE1-CA 3.39Å; H1379-G1381 PolarHBondContact CE1-N 3.1Å; H1379-G1381 WeakPolarHBondContact ND1-CA 3.2Å; H1379-G1381 PolarHBondContact ND1-N 3.02Å; H1379-G1381 VanDerWaalsContact ND1-N 3.13Å |
| 1380 | I | 77 | Confident | 80.5 | Confident | 19.8 Ų | 19.8 | 46.1 Ų | 46.1 | 10% | 0.102 | 24% | 0.237 | C | C | . | . | trans | -96.8 | -11.6 | -179.4 | -58.9 | 173.9 | 0 | 0 | 0 | 111.6 | R1359 R1361 L1446 L1581 A1583 | R1359-I1380 PolarHBondContact O-N 3.17Å; R1359-I1380 VanDerWaalsContact O-N 3.14Å; R1361-I1380 HydrophobicContact CB-CD1 4.17Å; R1361-I1380 HydrophobicContact CB-CG1 4.42Å; R1361-I1380 HydrophobicContact CG-CD1 4.36Å; R1361-I1380 HydrophobicContact CG-CG1 4.35Å; I1380-L1446 HydrophobicContact CG2-CB 4.45Å; I1380-L1581 HydrophobicContact CG2-CB 4.2Å; I1380-L1581 HydrophobicContact CG2-CD1 4.39Å; I1380-L1581 WeakPolarHBondContact O-CD1 3.23Å; I1380-A1583 VanDerWaalsContact CD1-CA 3.44Å; I1380-A1583 HydrophobicContact CD1-CB 3.33Å | ||
| 1381 | G | 76.2 | Confident | 79.6 | Confident | 22.6 Ų | 22.6 | 42.3 Ų | 42.3 | 23% | 0.233 | 23% | 0.226 | C | C | . | . | trans | -58.1 | 154.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114 | H1379 | H1379-G1381 VanDerWaalsContact CE1-CA 3.44Å; H1379-G1381 WeakPolarHBondContact CE1-CA 3.39Å; H1379-G1381 PolarHBondContact CE1-N 3.1Å; H1379-G1381 WeakPolarHBondContact ND1-CA 3.2Å; H1379-G1381 PolarHBondContact ND1-N 3.02Å; H1379-G1381 VanDerWaalsContact ND1-N 3.13Å | ||
| 1382 | V | 82.1 | Confident | 78.3 | Confident | 47.6 Ų | 47.6 | 40.8 Ų | 40.8 | 29% | 0.288 | 22% | 0.223 | S | C | . | . | trans | -88.6 | 133 | -175.7 | -165.3 | 0 | 0 | 0 | 0 | 110.3 | K1384 L1461 L1581 | V1382-K1384 PolarHBondContact O-N 2.96Å; V1382-L1461 HydrophobicContact CG1-CD2 3.26Å; V1382-L1461 HydrophobicContact CG1-CG 4.48Å; V1382-L1581 HydrophobicContact CG2-CD1 3.47Å; V1382-L1581 VanDerWaalsContact CG2-CD1 3.45Å; V1382-L1581 HydrophobicContact CG2-CG 4.35Å | ||
| 1383 | L | 86.6 | Confident | 76.5 | Confident | 45 Ų | 45 | 41.3 Ų | 41.3 | 24% | 0.236 | 22% | 0.219 | C | C | . | . | trans | -71.2 | 112.4 | 170.1 | -176.5 | 63.8 | 0 | 0 | 0 | 109.6 | T1295 E1335 Y1385 L1461 | T1295-L1383 HydrophobicContact CG2-CD1 4.3Å; E1335-L1383 HydrophobicContact CB-CD1 4.35Å; E1335-L1383 HydrophobicContact CG-CB 3.88Å; E1335-L1383 HydrophobicContact CG-CD1 3.8Å; E1335-L1383 HydrophobicContact CG-CG 4.46Å; L1383-Y1385 HydrophobicContact CD2-CE1 3.94Å; L1383-Y1385 WeakPolarHBondContact CD2-OH 3.41Å; L1383-Y1385 HydrophobicContact CG-CE1 4.19Å; L1383-Y1385 HydrophobicContact CG-CE2 4.44Å; L1383-L1461 WeakPolarHBondContact O-CD2 3.33Å | ||
| 1384 | K | 90.3 | Very high | 74.6 | Confident | 15.4 Ų | 15.4 | 36.8 Ų | 36.8 | 7% | 0.067 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 146 | 175.3 | -62.2 | 174 | 179.5 | 174.1 | 0 | 109.7 | G1333 C1334 V1382 F1386 H1576 N1577 | G1333-K1384 CarbonylContact C-O 3.57Å; G1333-K1384 VanDerWaalsContact CA-O 3.29Å; G1333-K1384 WeakPolarHBondContact CA-O 3.42Å; C1334-K1384 PolarHBondContact N-O 3.23Å; C1334-K1384 PolarHBondContact O-N 3.05Å; V1382-K1384 PolarHBondContact O-N 2.96Å; K1384-F1386 HydrophobicContact CB-CE2 3.83Å; K1384-F1386 HydrophobicContact CB-CZ 4.34Å; K1384-H1576 WeakPolarHBondContact CD-ND1 3.34Å; K1384-H1576 PolarHBondContact NZ-CD2 2.9Å; K1384-H1576 VanDerWaalsContact NZ-CD2 3.27Å; K1384-H1576 PolarHBondContact NZ-ND1 2.98Å; K1384-H1576 PolarHBondContact NZ-O 3Å; K1384-N1577 PolarHBondContact NZ-OD1 3.04Å |
| 1385 | Y | 92.4 | Very high | 72.6 | Confident | 67 Ų | 67 | 37.9 Ų | 37.9 | 26% | 0.263 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 128.9 | -179.4 | -60.4 | -79.3 | 0 | 0 | 0 | 110.4 | W1297 F1331 A1332 L1383 L1461 F1462 H1463 | W1297-Y1385 HydrophobicContact CZ2-CE1 4.33Å; F1331-Y1385 HydrophobicContact CE1-CD1 4.23Å; F1331-Y1385 HydrophobicContact CE1-CE1 4.46Å; F1331-Y1385 AromaticContact CE2-CD1 3.97Å; F1331-Y1385 HydrophobicContact CE2-CD1 4.02Å; F1331-Y1385 HydrophobicContact CE2-CG 4.34Å; F1331-Y1385 AromaticContact CZ-CD1 3.45Å; F1331-Y1385 HydrophobicContact CZ-CD1 3.45Å; F1331-Y1385 VanDerWaalsContact CZ-CD1 3.46Å; F1331-Y1385 HydrophobicContact CZ-CE1 4.11Å; F1331-Y1385 HydrophobicContact CZ-CG 4.12Å; A1332-Y1385 CarbonylContact O-C 3.55Å; A1332-Y1385 WeakPolarHBondContact O-CA 3.28Å; L1383-Y1385 HydrophobicContact CD2-CE1 3.94Å; L1383-Y1385 WeakPolarHBondContact CD2-OH 3.41Å; L1383-Y1385 HydrophobicContact CG-CE1 4.19Å; L1383-Y1385 HydrophobicContact CG-CE2 4.44Å; Y1385-L1461 PolarHBondContact N-O 3.31Å; Y1385-F1462 HydrophobicContact CD2-CD1 4.23Å; Y1385-F1462 AromaticContact CD2-CE1 3.85Å; Y1385-F1462 HydrophobicContact CD2-CE1 3.85Å; Y1385-F1462 HydrophobicContact CG-CE1 4.35Å; Y1385-H1463 PolarHBondContact O-N 3.01Å |
| 1386 | F | 91.6 | Very high | 70.5 | Confident | 2.2 Ų | 2.2 | 38.5 Ų | 38.5 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 134.9 | 176.4 | -61 | -94.5 | 0 | 0 | 0 | 109 | I1278 M1281 D1282 F1331 A1332 C1334 K1384 H1463 H1576 | I1278-F1386 HydrophobicContact CD1-CD2 4.44Å; I1278-F1386 HydrophobicContact CG1-CD2 4.37Å; I1278-F1386 HydrophobicContact CG1-CG 4.46Å; I1278-F1386 HydrophobicContact CG2-CD1 3.63Å; I1278-F1386 HydrophobicContact CG2-CD2 3.97Å; I1278-F1386 HydrophobicContact CG2-CE1 3.68Å; I1278-F1386 HydrophobicContact CG2-CE2 4.04Å; I1278-F1386 HydrophobicContact CG2-CG 3.77Å; I1278-F1386 HydrophobicContact CG2-CZ 3.89Å; M1281-F1386 HydrophobicContact CB-CB 4.42Å; M1281-F1386 HydrophobicContact CE-CB 3.92Å; M1281-F1386 HydrophobicContact SD-CB 4.21Å; D1282-F1386 HydrophobicContact CB-CD1 3.95Å; D1282-F1386 HydrophobicContact CB-CE1 4.11Å; F1331-F1386 CarbonylContact C-O 3.57Å; F1331-F1386 WeakPolarHBondContact CA-O 3.18Å; F1331-F1386 WeakPolarHBondContact CD2-O 3.43Å; A1332-F1386 HydrophobicContact CB-CB 4.32Å; A1332-F1386 PolarHBondContact N-O 2.84Å; A1332-F1386 PolarHBondContact O-N 3.18Å; C1334-F1386 VanDerWaalsContact SG-CE2 3.55Å; C1334-F1386 WeakPolarHBondContact SG-CE2 3.39Å; K1384-F1386 HydrophobicContact CB-CE2 3.83Å; K1384-F1386 HydrophobicContact CB-CZ 4.34Å; F1386-H1463 CarbonylContact C-O 3.52Å; F1386-H1463 VanDerWaalsContact CA-O 3.24Å; F1386-H1463 WeakPolarHBondContact CA-O 3.35Å; F1386-H1463 HydrophobicContact CD1-CB 3.56Å; F1386-H1463 HydrophobicContact CE1-CB 3.68Å; F1386-H1463 AromaticContact CE1-CD2 3.86Å; F1386-H1463 AromaticContact CE1-CG 3.87Å; F1386-H1463 HydrophobicContact CG-CB 4.41Å; F1386-H1463 AromaticContact CZ-CD2 3.95Å; F1386-H1576 AromaticContact CE1-CE1 3.96Å; F1386-H1576 AromaticContact CE1-NE2 3.89Å; F1386-H1576 AromaticContact CZ-CE1 3.78Å; F1386-H1576 AromaticContact CZ-NE2 3.62Å |
| 1387 | Y | 89.5 | Confident | 68.4 | Low | 25.6 Ų | 25.6 | 43.8 Ų | 43.8 | 10% | 0.1 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 149.5 | -178.9 | 54.9 | -90.3 | 0 | 0 | 0 | 112.5 | R1330 F1389 F1462 H1463 G1464 R1465 L1466 | R1330-Y1387 CarbonylContact O-C 3.54Å; R1330-Y1387 VanDerWaalsContact O-CA 3.29Å; R1330-Y1387 WeakPolarHBondContact O-CA 3.41Å; Y1387-F1389 VanDerWaalsContact CB-CE2 3.46Å; Y1387-F1389 AromaticContact CD2-CD2 3.56Å; Y1387-F1389 HydrophobicContact CD2-CD2 3.69Å; Y1387-F1389 VanDerWaalsContact CD2-CD2 3.47Å; Y1387-F1389 AromaticContact CD2-CE2 3.87Å; Y1387-F1389 HydrophobicContact CD2-CE2 3.98Å; Y1387-F1389 HydrophobicContact CD2-CG 4.4Å; Y1387-F1389 HydrophobicContact CE2-CD2 4.41Å; Y1387-F1389 AromaticContact CG-CD2 3.96Å; Y1387-F1389 HydrophobicContact CG-CD2 4.05Å; Y1387-F1389 AromaticContact CG-CE2 3.78Å; Y1387-F1389 HydrophobicContact CG-CE2 3.86Å; Y1387-F1389 HydrophobicContact CG-CZ 4.47Å; Y1387-F1462 HydrophobicContact CE1-CB 4.02Å; Y1387-H1463 VanDerWaalsContact CD1-O 3.24Å; Y1387-H1463 WeakPolarHBondContact CD1-O 3.38Å; Y1387-H1463 WeakPolarHBondContact CE1-O 3.25Å; Y1387-H1463 PolarHBondContact N-O 3.05Å; Y1387-G1464 VanDerWaalsContact CE2-C 3.45Å; Y1387-G1464 WeakPolarHBondContact O-CA 3.37Å; Y1387-R1465 WeakPolarHBondContact CD2-O 3.46Å; Y1387-R1465 PolarHBondContact O-N 3.02Å; Y1387-R1465 VanDerWaalsContact O-N 3.12Å; Y1387-L1466 HydrophobicContact CD2-CD1 4.41Å; Y1387-L1466 HydrophobicContact CD2-CD2 3.46Å; Y1387-L1466 VanDerWaalsContact CD2-CD2 3.46Å; Y1387-L1466 HydrophobicContact CD2-CG 4.21Å; Y1387-L1466 HydrophobicContact CE2-CB 4.23Å; Y1387-L1466 HydrophobicContact CE2-CD1 4.25Å; Y1387-L1466 HydrophobicContact CE2-CD2 3.25Å; Y1387-L1466 HydrophobicContact CE2-CG 3.55Å; Y1387-L1466 HydrophobicContact CG-CD2 4.45Å |
| 1388 | D | 87 | Confident | 66.4 | Low | 7 Ų | 7 | 41.6 Ų | 41.6 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 94.8 | 165.9 | 179.3 | 15.7 | 0 | 0 | 0 | 108.9 | M1281 G1329 R1330 S1390 S1391 | M1281-D1388 HydrophobicContact CB-CB 4.45Å; M1281-D1388 HydrophobicContact CG-CB 3.84Å; M1281-D1388 HydrophobicContact SD-CB 4.25Å; G1329-D1388 CarbonylContact C-O 3.5Å; G1329-D1388 VanDerWaalsContact CA-O 3.22Å; G1329-D1388 WeakPolarHBondContact CA-O 3.42Å; R1330-D1388 HydrophobicContact CB-CB 4.4Å; R1330-D1388 IonicContact CZ-OD2 3.11Å; R1330-D1388 PolarHBondContact N-O 3.04Å; R1330-D1388 IonicContact NE-OD2 3.12Å; R1330-D1388 PolarHBondContact NE-OD2 3.39Å; R1330-D1388 IonicContact NH2-OD2 2.93Å; R1330-D1388 PolarHBondContact NH2-OD2 3.1Å; R1330-D1388 PolarHBondContact O-N 3.01Å; D1388-S1390 VanDerWaalsContact C-N 3.31Å; D1388-S1390 PolarHBondContact O-N 3.41Å; D1388-S1390 VanDerWaalsContact OD1-CA 3.32Å; D1388-S1390 WeakPolarHBondContact OD1-CA 3.33Å; D1388-S1390 WeakPolarHBondContact OD1-CB 3.32Å; D1388-S1390 PolarHBondContact OD1-N 3.13Å; D1388-S1390 PolarHBondContact OD1-OG 2.97Å; D1388-S1391 PolarHBondContact O-OG 2.93Å; D1388-S1391 PolarHBondContact OD2-OG 2.86Å |
| 1389 | F | 81.5 | Confident | 64.6 | Low | 27.4 Ų | 27.4 | 46 Ų | 46 | 12% | 0.12 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 42 | 173.6 | -56.1 | -49.9 | 0 | 0 | 0 | 109.7 | V1327 A1328 F1331 Y1387 I1413 L1414 R1465 L1466 R1467 | V1327-F1389 HydrophobicContact CG1-CD1 4.22Å; V1327-F1389 HydrophobicContact CG1-CD2 4.44Å; V1327-F1389 HydrophobicContact CG1-CE1 4.04Å; V1327-F1389 HydrophobicContact CG1-CE2 4.25Å; V1327-F1389 HydrophobicContact CG1-CG 4.47Å; V1327-F1389 HydrophobicContact CG1-CZ 4.28Å; A1328-F1389 WeakPolarHBondContact O-CD1 3.23Å; A1328-F1389 VanDerWaalsContact O-CE1 3.31Å; A1328-F1389 WeakPolarHBondContact O-CE1 3.32Å; F1331-F1389 HydrophobicContact CB-CZ 4.48Å; F1331-F1389 HydrophobicContact CD2-CZ 4.3Å; Y1387-F1389 VanDerWaalsContact CB-CE2 3.46Å; Y1387-F1389 AromaticContact CD2-CD2 3.56Å; Y1387-F1389 HydrophobicContact CD2-CD2 3.69Å; Y1387-F1389 VanDerWaalsContact CD2-CD2 3.47Å; Y1387-F1389 AromaticContact CD2-CE2 3.87Å; Y1387-F1389 HydrophobicContact CD2-CE2 3.98Å; Y1387-F1389 HydrophobicContact CD2-CG 4.4Å; Y1387-F1389 HydrophobicContact CE2-CD2 4.41Å; Y1387-F1389 AromaticContact CG-CD2 3.96Å; Y1387-F1389 HydrophobicContact CG-CD2 4.05Å; Y1387-F1389 AromaticContact CG-CE2 3.78Å; Y1387-F1389 HydrophobicContact CG-CE2 3.86Å; Y1387-F1389 HydrophobicContact CG-CZ 4.47Å; F1389-I1413 HydrophobicContact CB-CG2 3.68Å; F1389-I1413 HydrophobicContact CD1-CG2 4.3Å; F1389-I1413 HydrophobicContact CG-CG2 4.29Å; F1389-L1414 HydrophobicContact CB-CD1 4.23Å; F1389-L1414 HydrophobicContact CB-CG 4.29Å; F1389-L1414 HydrophobicContact CD2-CD2 4.31Å; F1389-R1465 PolarHBondContact N-O 3.08Å; F1389-L1466 HydrophobicContact CB-CD1 3.95Å; F1389-L1466 HydrophobicContact CB-CD2 4.17Å; F1389-L1466 HydrophobicContact CD2-CD1 3.82Å; F1389-L1466 HydrophobicContact CD2-CD2 3.41Å; F1389-L1466 VanDerWaalsContact CD2-CD2 3.41Å; F1389-L1466 HydrophobicContact CE2-CD1 4.49Å; F1389-L1466 HydrophobicContact CE2-CD2 4.22Å; F1389-L1466 HydrophobicContact CG-CD1 4.2Å; F1389-L1466 HydrophobicContact CG-CD2 4.2Å; F1389-R1467 PolarHBondContact O-N 3.05Å |
| 1390 | S | 65.2 | Low | 62.7 | Low | 11 Ų | 11 | 50.7 Ų | 50.7 | 8% | 0.077 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -122 | -7.9 | 177.2 | 74.3 | 0 | 0 | 0 | 0 | 114.5 | D1388 A1392 F1412 R1467 | D1388-S1390 VanDerWaalsContact C-N 3.31Å; D1388-S1390 PolarHBondContact O-N 3.41Å; D1388-S1390 VanDerWaalsContact OD1-CA 3.32Å; D1388-S1390 WeakPolarHBondContact OD1-CA 3.33Å; D1388-S1390 WeakPolarHBondContact OD1-CB 3.32Å; D1388-S1390 PolarHBondContact OD1-N 3.13Å; D1388-S1390 PolarHBondContact OD1-OG 2.97Å; S1390-A1392 PolarHBondContact O-N 3.47Å; S1390-A1392 VanDerWaalsContact O-N 3.12Å; S1390-F1412 WeakPolarHBondContact CA-O 3.43Å; S1390-F1412 WeakPolarHBondContact O-CB 3.33Å; S1390-F1412 WeakPolarHBondContact O-CD2 3.24Å; S1390-R1467 WeakPolarHBondContact O-CD 3.32Å; S1390-R1467 PolarHBondContact O-NH1 3.03Å; S1390-R1467 VanDerWaalsContact O-NH1 3.11Å |
| 1391 | S | 51.9 | Low | 60.5 | Low | 40.2 Ų | 40.2 | 54.8 Ų | 54.8 | 28% | 0.281 | 33% | 0.33 | S | S | . | . | trans | -122.4 | 102.6 | -179.6 | 66.5 | 0 | 0 | 0 | 0 | 112.4 | Y1300 A1328 G1329 D1388 V1393 I1413 | Y1300-S1391 WeakPolarHBondContact CE2-O 3.17Å; Y1300-S1391 PolarHBondContact OH-O 3.21Å; Y1300-S1391 VanDerWaalsContact OH-O 3.08Å; A1328-S1391 CarbonylContact C-O 3.54Å; G1329-S1391 VanDerWaalsContact CA-O 3.26Å; G1329-S1391 WeakPolarHBondContact CA-O 3.5Å; G1329-S1391 PolarHBondContact N-O 3.37Å; D1388-S1391 PolarHBondContact O-OG 2.93Å; D1388-S1391 PolarHBondContact OD2-OG 2.86Å; S1391-V1393 PolarHBondContact O-N 3.1Å; S1391-I1413 VanDerWaalsContact C-CD1 3.45Å; S1391-I1413 WeakPolarHBondContact O-CD1 3.43Å | ||
| 1392 | A | 46.6 | Very low | 58.2 | Low | 19.6 Ų | 19.6 | 64.5 Ų | 64.5 | 16% | 0.162 | 36% | 0.361 | C | S | . | . | trans | -147.1 | 129.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113 | Y1300 A1328 S1390 V1394 V1410 F1412 I1413 | Y1300-A1392 HydrophobicContact CE2-CB 4.37Å; Y1300-A1392 VanDerWaalsContact OH-CB 3.3Å; Y1300-A1392 WeakPolarHBondContact OH-CB 3.47Å; A1328-A1392 HydrophobicContact CB-CB 3.82Å; S1390-A1392 PolarHBondContact O-N 3.47Å; S1390-A1392 VanDerWaalsContact O-N 3.12Å; A1392-V1394 HydrophobicContact CB-CG2 4.47Å; A1392-V1394 PolarHBondContact O-N 3.16Å; A1392-V1410 HydrophobicContact CB-CG1 3.48Å; A1392-V1410 VanDerWaalsContact CB-CG1 3.48Å; A1392-F1412 HydrophobicContact CB-CB 4.46Å; A1392-F1412 VanDerWaalsContact N-CG 3.28Å; A1392-F1412 VanDerWaalsContact O-CD1 3.24Å; A1392-F1412 WeakPolarHBondContact O-CD1 3.18Å; A1392-I1413 HydrophobicContact CB-CD1 3.81Å; A1392-I1413 HydrophobicContact CB-CG1 4.27Å; A1392-I1413 HydrophobicContact CB-CG2 4.45Å | ||
| 1393 | V | 41.6 | Very low | 55.6 | Low | 44 Ų | 44 | 67.4 Ų | 67.4 | 27% | 0.267 | 38% | 0.384 | S | S | . | . | trans | -69.4 | 123.1 | 166.5 | -175.8 | 0 | 0 | 0 | 0 | 111.1 | Y1083 R1326 S1391 L1395 I1411 F1412 | Y1083-V1393 VanDerWaalsContact O-CG1 3.25Å; Y1083-V1393 WeakPolarHBondContact O-CG1 3.25Å; Y1083-V1393 VanDerWaalsContact O-CG2 3.24Å; Y1083-V1393 WeakPolarHBondContact O-CG2 3.49Å; R1326-V1393 PolarHBondContact NH1-O 3.01Å; R1326-V1393 PolarHBondContact NH2-O 3.23Å; S1391-V1393 PolarHBondContact O-N 3.1Å; V1393-L1395 HydrophobicContact CG1-CD1 4.26Å; V1393-L1395 HydrophobicContact CG1-CD2 4.1Å; V1393-L1395 HydrophobicContact CG1-CG 4.09Å; V1393-L1395 PolarHBondContact O-N 2.82Å; V1393-I1411 HydrophobicContact CB-CB 4.29Å; V1393-I1411 HydrophobicContact CG1-CD1 4.5Å; V1393-I1411 PolarHBondContact O-N 3.11Å; V1393-F1412 HydrophobicContact CG2-CE1 3.97Å; V1393-F1412 HydrophobicContact CG2-CZ 4.46Å | ||
| 1394 | V | 40.6 | Very low | 52.9 | Low | 56.6 Ų | 56.6 | 71.3 Ų | 71.3 | 34% | 0.343 | 40% | 0.404 | S | S | . | . | trans | -89 | 127.6 | 172 | 173.5 | 0 | 0 | 0 | 0 | 109.9 | K1085 A1392 T1396 I1411 | K1085-V1394 WeakPolarHBondContact CE-O 3.46Å; K1085-V1394 PolarHBondContact NZ-O 2.84Å; A1392-V1394 HydrophobicContact CB-CG2 4.47Å; A1392-V1394 PolarHBondContact O-N 3.16Å; V1394-T1396 HydrophobicContact CG1-CG2 4.1Å; V1394-T1396 PolarHBondContact O-N 2.66Å; V1394-I1411 HydrophobicContact CB-CD1 3.71Å; V1394-I1411 HydrophobicContact CB-CG1 4.35Å; V1394-I1411 HydrophobicContact CB-CG2 3.83Å; V1394-I1411 HydrophobicContact CG2-CB 4.17Å; V1394-I1411 HydrophobicContact CG2-CD1 3.39Å; V1394-I1411 HydrophobicContact CG2-CG1 3.48Å; V1394-I1411 VanDerWaalsContact CG2-CG1 3.48Å; V1394-I1411 HydrophobicContact CG2-CG2 3.66Å | ||
| 1395 | L | 39.4 | Very low | 50 | Low | 51.2 Ų | 51.2 | 75.8 Ų | 75.8 | 27% | 0.268 | 43% | 0.432 | S | S | . | . | trans | -111.4 | 104.3 | 170.1 | -65.7 | 167.1 | 0 | 0 | 0 | 108.2 | L1080 Y1083 V1393 L1397 D1409 I1411 | L1080-L1395 HydrophobicContact CD2-CD1 3.84Å; Y1083-L1395 HydrophobicContact CD1-CD2 3.73Å; Y1083-L1395 VanDerWaalsContact CD1-CD2 3.42Å; Y1083-L1395 HydrophobicContact CD2-CD1 3.6Å; Y1083-L1395 VanDerWaalsContact CD2-CD1 3.45Å; Y1083-L1395 HydrophobicContact CD2-CD2 3.9Å; Y1083-L1395 HydrophobicContact CD2-CG 4.37Å; Y1083-L1395 HydrophobicContact CE1-CD2 4.1Å; Y1083-L1395 HydrophobicContact CE2-CD1 4.31Å; Y1083-L1395 HydrophobicContact CE2-CD2 4.14Å; Y1083-L1395 HydrophobicContact CG-CD1 3.92Å; Y1083-L1395 HydrophobicContact CG-CD2 4.12Å; V1393-L1395 HydrophobicContact CG1-CD1 4.26Å; V1393-L1395 HydrophobicContact CG1-CD2 4.1Å; V1393-L1395 HydrophobicContact CG1-CG 4.09Å; V1393-L1395 PolarHBondContact O-N 2.82Å; L1395-L1397 VanDerWaalsContact C-N 3.32Å; L1395-L1397 PolarHBondContact O-N 2.88Å; L1395-D1409 HydrophobicContact CB-CB 4.5Å; L1395-D1409 HydrophobicContact CD1-CB 4.13Å; L1395-I1411 HydrophobicContact CD1-CD1 3.94Å; L1395-I1411 HydrophobicContact CD1-CG1 4.49Å; L1395-I1411 HydrophobicContact CG-CD1 4.18Å | ||
| 1396 | T | 34.8 | Very low | 47 | Very low | 111.6 Ų | 111.6 | 79.3 Ų | 79.3 | 69% | 0.685 | 45% | 0.454 | S | S | * | . | trans | -87.6 | 100.2 | 165.2 | 43.6 | 0 | 0 | 0 | 0 | 108.5 | V1394 S1398 | V1394-T1396 HydrophobicContact CG1-CG2 4.1Å; V1394-T1396 PolarHBondContact O-N 2.66Å; T1396-S1398 VanDerWaalsContact C-N 3.28Å; T1396-S1398 PolarHBondContact O-N 3.25Å; T1396-S1398 VanDerWaalsContact O-N 3.11Å | ||
| 1397 | L | 35 | Very low | 44.2 | Very low | 127.4 Ų | 127.4 | 88.2 Ų | 88.2 | 67% | 0.667 | 49% | 0.489 | S | S | * | . | trans | -76.8 | 104.8 | 164.7 | -78.1 | 158.2 | 0 | 0 | 0 | 107.9 | M1076 L1395 I1404 | M1076-L1397 HydrophobicContact CG-CD1 3.66Å; M1076-L1397 HydrophobicContact SD-CD1 3.9Å; L1395-L1397 VanDerWaalsContact C-N 3.32Å; L1395-L1397 PolarHBondContact O-N 2.88Å; L1397-I1404 HydrophobicContact CD2-CD1 4.32Å | ||
| 1398 | S | 33.1 | Very low | 41.4 | Very low | 83.4 Ų | 83.4 | 90.2 Ų | 90.2 | 58% | 0.583 | 52% | 0.517 | S | S | * | . | trans | -69 | 131.1 | 166.6 | -179.2 | 0 | 0 | 0 | 0 | 109.2 | T1396 V1400 | T1396-S1398 VanDerWaalsContact C-N 3.28Å; T1396-S1398 PolarHBondContact O-N 3.25Å; T1396-S1398 VanDerWaalsContact O-N 3.11Å; S1398-V1400 VanDerWaalsContact C-N 3.29Å; S1398-V1400 PolarHBondContact O-N 2.93Å; S1398-V1400 PolarHBondContact OG-N 3.23Å; S1398-V1400 PolarHBondContact OG-O 3.22Å | ||
| 1399 | P | 38.3 | Very low | 38.9 | Very low | 122.8 Ų | 122.8 | 96.3 Ų | 96.3 | 80% | 0.797 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -74.4 | 25.7 | -176 | 19.2 | -20.7 | 0 | 0 | 0 | 113.1 | ||
| 1400 | V | 35.2 | Very low | 36.7 | Very low | 117 Ų | 117 | 99 Ų | 99 | 71% | 0.709 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -126.4 | 104.9 | 173.5 | -172.4 | 0 | 0 | 0 | 0 | 109.7 | S1398 Y1402 | S1398-V1400 VanDerWaalsContact C-N 3.29Å; S1398-V1400 PolarHBondContact O-N 2.93Å; S1398-V1400 PolarHBondContact OG-N 3.23Å; S1398-V1400 PolarHBondContact OG-O 3.22Å; V1400-Y1402 PolarHBondContact O-N 3.16Å |
| 1401 | S | 30.8 | Very low | 35.5 | Very low | 105.4 Ų | 105.4 | 101.8 Ų | 101.8 | 74% | 0.737 | 58% | 0.582 | S | S | * | * | trans | 24.4 | 116.4 | 174.4 | -59.6 | 0 | 0 | 0 | 0 | 116.9 | S1403 | S1401-S1403 PolarHBondContact O-N 3.14Š| ||
| 1402 | Y | 29.4 | Very low | 35.2 | Very low | 227.2 Ų | 227.2 | 102 Ų | 102 | 89% | 0.891 | 58% | 0.578 | S | S | * | * | trans | -100.8 | 98.9 | 160.2 | -73.8 | -86.2 | 0 | 0 | 0 | 112.7 | V1400 I1404 | V1400-Y1402 PolarHBondContact O-N 3.16Å; Y1402-I1404 PolarHBondContact O-N 3.04Å; Y1402-I1404 VanDerWaalsContact O-N 3.13Å | ||
| 1403 | S | 27.1 | Very low | 35.8 | Very low | 109.2 Ų | 109.2 | 101.6 Ų | 101.6 | 76% | 0.764 | 57% | 0.573 | S | S | * | * | trans | -113.3 | 120.9 | 159.2 | 100.1 | 0 | 0 | 0 | 0 | 111 | S1401 T1405 | S1401-S1403 PolarHBondContact O-N 3.14Å; S1403-T1405 PolarHBondContact O-N 2.85Å | ||
| 1404 | I | 29.4 | Very low | 37.2 | Very low | 126.6 Ų | 126.6 | 100.2 Ų | 100.2 | 65% | 0.649 | 56% | 0.564 | S | S | * | * | trans | -109.2 | 106.1 | 174.1 | -65.8 | 174.1 | 0 | 0 | 0 | 109.1 | L1397 Y1402 I1406 | L1397-I1404 HydrophobicContact CD2-CD1 4.32Å; Y1402-I1404 PolarHBondContact O-N 3.04Å; Y1402-I1404 VanDerWaalsContact O-N 3.13Å; I1404-I1406 PolarHBondContact O-N 3.46Å | ||
| 1405 | T | 29.4 | Very low | 38.9 | Very low | 109.2 Ų | 109.2 | 100.6 Ų | 100.6 | 67% | 0.67 | 56% | 0.562 | S | S | * | * | trans | -81.9 | 119.7 | 172.5 | -44 | 0 | 0 | 0 | 0 | 109.6 | S1403 Y1407 | S1403-T1405 PolarHBondContact O-N 2.85Å; T1405-Y1407 HydrophobicContact CG2-CD2 4.11Å; T1405-Y1407 HydrophobicContact CG2-CE2 3.71Å; T1405-Y1407 VanDerWaalsContact CG2-CE2 3.44Å; T1405-Y1407 PolarHBondContact O-N 3.07Å | ||
| 1406 | I | 29.7 | Very low | 41 | Very low | 140.8 Ų | 140.8 | 99 Ų | 99 | 72% | 0.722 | 55% | 0.553 | S | S | * | * | trans | -49 | 104.6 | 168.4 | -52.5 | 169.5 | 0 | 0 | 0 | 111.4 | I1404 | I1404-I1406 PolarHBondContact O-N 3.46Š| ||
| 1407 | Y | 32.3 | Very low | 43.4 | Very low | 189 Ų | 189 | 99 Ų | 99 | 74% | 0.741 | 54% | 0.543 | S | S | * | . | trans | -92 | 115.5 | 159.6 | -75.3 | -78.6 | 0 | 0 | 0 | 110.8 | T1405 D1409 R1513 | T1405-Y1407 HydrophobicContact CG2-CD2 4.11Å; T1405-Y1407 HydrophobicContact CG2-CE2 3.71Å; T1405-Y1407 VanDerWaalsContact CG2-CE2 3.44Å; T1405-Y1407 PolarHBondContact O-N 3.07Å; Y1407-D1409 PolarHBondContact O-N 2.89Å; Y1407-R1513 PolarHBondContact OH-NH1 3.31Å | ||
| 1408 | G | 31.6 | Very low | 45.8 | Very low | 67.4 Ų | 67.4 | 95.2 Ų | 95.2 | 70% | 0.695 | 53% | 0.525 | S | S | * | . | trans | -58.4 | 108.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V1410 | G1408-V1410 WeakPolarHBondContact O-CG2 3.4Å; G1408-V1410 PolarHBondContact O-N 3.09Å | ||
| 1409 | D | 34.3 | Very low | 48.4 | Very low | 135 Ų | 135 | 92.6 Ų | 92.6 | 72% | 0.722 | 50% | 0.504 | S | S | * | . | trans | -68 | 120.2 | 176.8 | -76.3 | -39.8 | 0 | 0 | 0 | 112.4 | L1395 Y1407 I1411 | L1395-D1409 HydrophobicContact CB-CB 4.5Å; L1395-D1409 HydrophobicContact CD1-CB 4.13Å; Y1407-D1409 PolarHBondContact O-N 2.89Å; D1409-I1411 VanDerWaalsContact C-N 3.3Å; D1409-I1411 VanDerWaalsContact O-CG1 3.3Å; D1409-I1411 WeakPolarHBondContact O-CG1 3.33Å; D1409-I1411 PolarHBondContact O-N 2.86Å | ||
| 1410 | V | 35.6 | Very low | 50.9 | Low | 83.4 Ų | 83.4 | 88.8 Ų | 88.8 | 51% | 0.505 | 47% | 0.474 | S | S | . | . | trans | -83.8 | 103.6 | 177.6 | 179 | 0 | 0 | 0 | 0 | 108.6 | A1392 G1408 F1412 | A1392-V1410 HydrophobicContact CB-CG1 3.48Å; A1392-V1410 VanDerWaalsContact CB-CG1 3.48Å; G1408-V1410 WeakPolarHBondContact O-CG2 3.4Å; G1408-V1410 PolarHBondContact O-N 3.09Å; V1410-F1412 HydrophobicContact CB-CE1 4.1Å; V1410-F1412 HydrophobicContact CB-CE2 4.21Å; V1410-F1412 HydrophobicContact CB-CZ 4.07Å; V1410-F1412 HydrophobicContact CG1-CD1 3.73Å; V1410-F1412 HydrophobicContact CG1-CD2 4.35Å; V1410-F1412 HydrophobicContact CG1-CE1 3.75Å; V1410-F1412 HydrophobicContact CG1-CE2 4.05Å; V1410-F1412 HydrophobicContact CG1-CG 4.23Å; V1410-F1412 HydrophobicContact CG1-CZ 3.9Å; V1410-F1412 WeakPolarHBondContact O-CD2 3.43Å; V1410-F1412 WeakPolarHBondContact O-CE2 3.42Å; V1410-F1412 PolarHBondContact O-N 2.86Å; V1410-F1412 VanDerWaalsContact O-N 3.12Å | ||
| 1411 | I | 40.1 | Very low | 53.5 | Low | 70.6 Ų | 70.6 | 88.1 Ų | 88.1 | 36% | 0.362 | 46% | 0.458 | S | S | . | . | trans | -86 | 129.4 | 176.8 | -61.4 | 168.2 | 0 | 0 | 0 | 109.1 | V1393 V1394 L1395 D1409 I1413 | V1393-I1411 HydrophobicContact CB-CB 4.29Å; V1393-I1411 HydrophobicContact CG1-CD1 4.5Å; V1393-I1411 PolarHBondContact O-N 3.11Å; V1394-I1411 HydrophobicContact CB-CD1 3.71Å; V1394-I1411 HydrophobicContact CB-CG1 4.35Å; V1394-I1411 HydrophobicContact CB-CG2 3.83Å; V1394-I1411 HydrophobicContact CG2-CB 4.17Å; V1394-I1411 HydrophobicContact CG2-CD1 3.39Å; V1394-I1411 HydrophobicContact CG2-CG1 3.48Å; V1394-I1411 VanDerWaalsContact CG2-CG1 3.48Å; V1394-I1411 HydrophobicContact CG2-CG2 3.66Å; L1395-I1411 HydrophobicContact CD1-CD1 3.94Å; L1395-I1411 HydrophobicContact CD1-CG1 4.49Å; L1395-I1411 HydrophobicContact CG-CD1 4.18Å; D1409-I1411 VanDerWaalsContact C-N 3.3Å; D1409-I1411 VanDerWaalsContact O-CG1 3.3Å; D1409-I1411 WeakPolarHBondContact O-CG1 3.33Å; D1409-I1411 PolarHBondContact O-N 2.86Å; I1411-I1413 HydrophobicContact CG2-CB 4.38Å; I1411-I1413 HydrophobicContact CG2-CD1 3.78Å; I1411-I1413 HydrophobicContact CG2-CG1 3.94Å | ||
| 1412 | F | 44.5 | Very low | 56.3 | Low | 44.6 Ų | 44.6 | 83.1 Ų | 83.1 | 20% | 0.196 | 42% | 0.423 | C | S | . | . | trans | -103.5 | 133.9 | -174.6 | -64.3 | -71.9 | 0 | 0 | 0 | 110.1 | S1390 A1392 V1393 V1410 E1415 R1467 L1469 L1498 | S1390-F1412 WeakPolarHBondContact CA-O 3.43Å; S1390-F1412 WeakPolarHBondContact O-CB 3.33Å; S1390-F1412 WeakPolarHBondContact O-CD2 3.24Å; A1392-F1412 HydrophobicContact CB-CB 4.46Å; A1392-F1412 VanDerWaalsContact N-CG 3.28Å; A1392-F1412 VanDerWaalsContact O-CD1 3.24Å; A1392-F1412 WeakPolarHBondContact O-CD1 3.18Å; V1393-F1412 HydrophobicContact CG2-CE1 3.97Å; V1393-F1412 HydrophobicContact CG2-CZ 4.46Å; V1410-F1412 HydrophobicContact CB-CE1 4.1Å; V1410-F1412 HydrophobicContact CB-CE2 4.21Å; V1410-F1412 HydrophobicContact CB-CZ 4.07Å; V1410-F1412 HydrophobicContact CG1-CD1 3.73Å; V1410-F1412 HydrophobicContact CG1-CD2 4.35Å; V1410-F1412 HydrophobicContact CG1-CE1 3.75Å; V1410-F1412 HydrophobicContact CG1-CE2 4.05Å; V1410-F1412 HydrophobicContact CG1-CG 4.23Å; V1410-F1412 HydrophobicContact CG1-CZ 3.9Å; V1410-F1412 WeakPolarHBondContact O-CD2 3.43Å; V1410-F1412 WeakPolarHBondContact O-CE2 3.42Å; V1410-F1412 PolarHBondContact O-N 2.86Å; V1410-F1412 VanDerWaalsContact O-N 3.12Å; F1412-E1415 WeakPolarHBondContact CA-OE1 3.41Å; F1412-E1415 HydrophobicContact CB-CG 3.79Å; F1412-E1415 WeakPolarHBondContact CB-OE1 3.38Å; F1412-E1415 PolarHBondContact N-OE1 2.9Å; F1412-E1415 VanDerWaalsContact O-CD 3.24Å; F1412-E1415 VanDerWaalsContact O-OE1 3.07Å; F1412-R1467 HydrophobicContact CD1-CB 4.16Å; F1412-R1467 WeakPolarHBondContact O-CB 3.34Å; F1412-L1469 HydrophobicContact CB-CB 3.81Å; F1412-L1469 HydrophobicContact CB-CD2 4.4Å; F1412-L1469 HydrophobicContact CD1-CB 4.49Å; F1412-L1469 HydrophobicContact CD2-CB 4.21Å; F1412-L1469 HydrophobicContact CD2-CD1 4.01Å; F1412-L1469 HydrophobicContact CD2-CD2 3.93Å; F1412-L1469 HydrophobicContact CD2-CG 4.33Å; F1412-L1469 HydrophobicContact CE2-CD1 4.23Å; F1412-L1469 HydrophobicContact CE2-CD2 4.14Å; F1412-L1469 HydrophobicContact CG-CB 4.08Å; F1412-L1469 HydrophobicContact CG-CD1 4.5Å; F1412-L1469 HydrophobicContact CG-CD2 4.06Å; F1412-L1498 HydrophobicContact CD1-CD1 3.51Å; F1412-L1498 HydrophobicContact CD1-CD2 4.43Å; F1412-L1498 HydrophobicContact CD1-CG 4.47Å; F1412-L1498 HydrophobicContact CD2-CD1 4.35Å; F1412-L1498 HydrophobicContact CE1-CD1 3.32Å; F1412-L1498 HydrophobicContact CE1-CD2 3.44Å; F1412-L1498 VanDerWaalsContact CE1-CD2 3.44Å; F1412-L1498 HydrophobicContact CE1-CG 3.9Å; F1412-L1498 HydrophobicContact CE2-CD1 4.22Å; F1412-L1498 HydrophobicContact CE2-CD2 4.22Å; F1412-L1498 HydrophobicContact CG-CD1 3.91Å; F1412-L1498 HydrophobicContact CZ-CD1 3.64Å; F1412-L1498 HydrophobicContact CZ-CD2 3.3Å; F1412-L1498 HydrophobicContact CZ-CG 4.08Å | ||
| 1413 | I | 59.5 | Low | 59 | Low | 11.4 Ų | 11.4 | 75.9 Ų | 75.9 | 6% | 0.058 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -126.1 | -18.2 | -165.4 | -35.8 | 177.8 | 0 | 0 | 0 | 113.6 | R1326 V1327 A1328 F1389 S1391 A1392 I1411 E1415 R1467 L1469 | R1326-I1413 CarbonylContact C-O 3.53Å; R1326-I1413 VanDerWaalsContact O-O 3.05Å; V1327-I1413 CarbonylContact C-O 3.6Å; V1327-I1413 WeakPolarHBondContact CA-O 3.33Å; A1328-I1413 VanDerWaalsContact C-CG2 3.5Å; A1328-I1413 HydrophobicContact CB-CG2 3.61Å; A1328-I1413 VanDerWaalsContact CB-CG2 3.43Å; A1328-I1413 PolarHBondContact N-O 3.23Å; A1328-I1413 VanDerWaalsContact O-CB 3.28Å; A1328-I1413 WeakPolarHBondContact O-CB 3.39Å; A1328-I1413 VanDerWaalsContact O-CD1 3.25Å; A1328-I1413 WeakPolarHBondContact O-CD1 3.47Å; A1328-I1413 WeakPolarHBondContact O-CG2 3.39Å; F1389-I1413 HydrophobicContact CB-CG2 3.68Å; F1389-I1413 HydrophobicContact CD1-CG2 4.3Å; F1389-I1413 HydrophobicContact CG-CG2 4.29Å; S1391-I1413 VanDerWaalsContact C-CD1 3.45Å; S1391-I1413 WeakPolarHBondContact O-CD1 3.43Å; A1392-I1413 HydrophobicContact CB-CD1 3.81Å; A1392-I1413 HydrophobicContact CB-CG1 4.27Å; A1392-I1413 HydrophobicContact CB-CG2 4.45Å; I1411-I1413 HydrophobicContact CG2-CB 4.38Å; I1411-I1413 HydrophobicContact CG2-CD1 3.78Å; I1411-I1413 HydrophobicContact CG2-CG1 3.94Å; I1413-E1415 HydrophobicContact CB-CG 3.84Å; I1413-E1415 HydrophobicContact CG2-CG 3.86Å; I1413-R1467 HydrophobicContact CG2-CB 3.69Å; I1413-L1469 HydrophobicContact CB-CB 4.34Å; I1413-L1469 HydrophobicContact CD1-CB 3.6Å; I1413-L1469 HydrophobicContact CD1-CD1 4.45Å; I1413-L1469 HydrophobicContact CD1-CD2 3.71Å; I1413-L1469 HydrophobicContact CD1-CG 4.21Å; I1413-L1469 HydrophobicContact CG2-CB 3.73Å; I1413-L1469 VanDerWaalsContact CG2-N 3.31Å |
| 1414 | L | 70.6 | Confident | 61.7 | Low | 15 Ų | 15 | 70.7 Ų | 70.7 | 8% | 0.079 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 115.4 | 155.2 | -63.8 | 157.6 | 0 | 0 | 0 | 107.5 | R1326 V1327 F1389 F1416 L1466 R1467 L1468 L1469 | R1326-L1414 CarbonylContact O-C 3.57Å; R1326-L1414 VanDerWaalsContact O-CA 3.28Å; R1326-L1414 WeakPolarHBondContact O-CA 3.38Å; V1327-L1414 HydrophobicContact CB-CD2 3.76Å; V1327-L1414 HydrophobicContact CG1-CD2 3.48Å; V1327-L1414 VanDerWaalsContact CG1-CD2 3.44Å; V1327-L1414 HydrophobicContact CG2-CD2 3.47Å; V1327-L1414 VanDerWaalsContact CG2-CD2 3.41Å; F1389-L1414 HydrophobicContact CB-CD1 4.23Å; F1389-L1414 HydrophobicContact CB-CG 4.29Å; F1389-L1414 HydrophobicContact CD2-CD2 4.31Å; L1414-F1416 HydrophobicContact CB-CE1 4.49Å; L1414-F1416 HydrophobicContact CB-CE2 3.95Å; L1414-F1416 HydrophobicContact CB-CZ 4.32Å; L1414-F1416 HydrophobicContact CD1-CZ 4.28Å; L1414-F1416 HydrophobicContact CD2-CE2 4.25Å; L1414-F1416 HydrophobicContact CD2-CZ 4.22Å; L1414-L1466 HydrophobicContact CD1-CB 3.89Å; L1414-L1466 HydrophobicContact CD1-CD1 3.46Å; L1414-L1466 VanDerWaalsContact CD1-CD1 3.45Å; L1414-L1466 HydrophobicContact CD1-CD2 3.92Å; L1414-L1466 HydrophobicContact CD1-CG 3.58Å; L1414-L1466 VanDerWaalsContact CD1-CG 3.47Å; L1414-L1466 HydrophobicContact CD2-CD1 4.27Å; L1414-L1466 HydrophobicContact CG-CD1 4.13Å; L1414-L1466 HydrophobicContact CG-CG 4.37Å; L1414-R1467 VanDerWaalsContact CB-O 3.29Å; L1414-R1467 WeakPolarHBondContact CB-O 3.4Å; L1414-R1467 WeakPolarHBondContact CD1-O 3.31Å; L1414-R1467 WeakPolarHBondContact CG-O 3.21Å; L1414-R1467 PolarHBondContact N-O 3.15Å; L1414-R1467 VanDerWaalsContact N-O 3.16Å; L1414-L1468 HydrophobicContact CB-CB 4.2Å; L1414-L1468 HydrophobicContact CB-CD1 3.82Å; L1414-L1468 HydrophobicContact CB-CG 4.48Å; L1414-L1468 HydrophobicContact CD1-CB 4.19Å; L1414-L1468 HydrophobicContact CD1-CD1 4.37Å; L1414-L1468 CarbonylContact O-C 3.52Å; L1414-L1468 WeakPolarHBondContact O-CA 3.36Å; L1414-L1469 PolarHBondContact O-N 3.17Å |
| 1415 | E | 76.5 | Confident | 64.1 | Low | 63.4 Ų | 63.4 | 65.4 Ų | 65.4 | 30% | 0.296 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 120.7 | -179.5 | -79 | 178.9 | 161.2 | 0 | 0 | 108.8 | G1325 R1326 F1412 I1413 L1469 | G1325-E1415 CarbonylContact C-O 3.59Å; G1325-E1415 WeakPolarHBondContact CA-O 3.28Å; R1326-E1415 HydrophobicContact CB-CB 4.41Å; R1326-E1415 PolarHBondContact N-O 3.2Å; R1326-E1415 IonicContact NH1-OE2 3.12Å; R1326-E1415 PolarHBondContact O-N 3.22Å; R1326-E1415 VanDerWaalsContact O-N 3.13Å; F1412-E1415 WeakPolarHBondContact CA-OE1 3.41Å; F1412-E1415 HydrophobicContact CB-CG 3.79Å; F1412-E1415 WeakPolarHBondContact CB-OE1 3.38Å; F1412-E1415 PolarHBondContact N-OE1 2.9Å; F1412-E1415 VanDerWaalsContact O-CD 3.24Å; F1412-E1415 VanDerWaalsContact O-OE1 3.07Å; I1413-E1415 HydrophobicContact CB-CG 3.84Å; I1413-E1415 HydrophobicContact CG2-CG 3.86Å; E1415-L1469 WeakPolarHBondContact CA-O 3.32Å; E1415-L1469 HydrophobicContact CG-CB 4.43Å; E1415-L1469 HydrophobicContact CG-CD2 4.47Å |
| 1416 | F | 83.1 | Confident | 66.7 | Low | 19.2 Ų | 19.2 | 60.8 Ų | 60.8 | 8% | 0.084 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 123.4 | 178.1 | -56.2 | -37.4 | 0 | 0 | 0 | 110.3 | F1305 I1322 V1327 L1414 F1419 L1468 L1469 S1470 N1471 | F1305-F1416 HydrophobicContact CZ-CE1 4.27Å; I1322-F1416 HydrophobicContact CD1-CD2 4.31Å; I1322-F1416 HydrophobicContact CD1-CE1 4.43Å; I1322-F1416 HydrophobicContact CD1-CE2 4.04Å; I1322-F1416 HydrophobicContact CD1-CZ 4.2Å; I1322-F1416 HydrophobicContact CG2-CB 3.97Å; I1322-F1416 HydrophobicContact CG2-CD1 3.55Å; I1322-F1416 VanDerWaalsContact CG2-CD1 3.46Å; I1322-F1416 HydrophobicContact CG2-CD2 4.08Å; I1322-F1416 HydrophobicContact CG2-CE1 4.07Å; I1322-F1416 HydrophobicContact CG2-CE2 4.43Å; I1322-F1416 HydrophobicContact CG2-CG 3.6Å; I1322-F1416 VanDerWaalsContact CG2-CG 3.49Å; V1327-F1416 HydrophobicContact CG2-CE1 4.15Å; V1327-F1416 HydrophobicContact CG2-CZ 4.35Å; L1414-F1416 HydrophobicContact CB-CE1 4.49Å; L1414-F1416 HydrophobicContact CB-CE2 3.95Å; L1414-F1416 HydrophobicContact CB-CZ 4.32Å; L1414-F1416 HydrophobicContact CD1-CZ 4.28Å; L1414-F1416 HydrophobicContact CD2-CE2 4.25Å; L1414-F1416 HydrophobicContact CD2-CZ 4.22Å; F1416-F1419 HydrophobicContact CB-CB 4.29Å; F1416-F1419 HydrophobicContact CD2-CB 4.02Å; F1416-F1419 AromaticContact CD2-CD1 3.92Å; F1416-F1419 HydrophobicContact CD2-CD1 3.92Å; F1416-F1419 HydrophobicContact CD2-CG 4.1Å; F1416-F1419 HydrophobicContact CE2-CD1 4.23Å; F1416-F1419 HydrophobicContact CE2-CE1 4.47Å; F1416-F1419 HydrophobicContact CG-CB 4.4Å; F1416-L1468 HydrophobicContact CB-CD1 4.29Å; F1416-L1468 HydrophobicContact CD1-CD1 4.41Å; F1416-L1468 HydrophobicContact CD2-CD1 3.39Å; F1416-L1468 HydrophobicContact CD2-CD2 4.23Å; F1416-L1468 HydrophobicContact CD2-CG 4.19Å; F1416-L1468 HydrophobicContact CE2-CD1 3.47Å; F1416-L1468 VanDerWaalsContact CE2-CD1 3.45Å; F1416-L1468 HydrophobicContact CE2-CD2 4.23Å; F1416-L1468 HydrophobicContact CE2-CG 4.19Å; F1416-L1468 HydrophobicContact CG-CD1 3.9Å; F1416-L1468 HydrophobicContact CZ-CD1 4.21Å; F1416-L1469 PolarHBondContact N-O 3.14Å; F1416-L1469 VanDerWaalsContact N-O 3.08Å; F1416-S1470 CarbonylContact O-C 3.56Å; F1416-S1470 WeakPolarHBondContact O-CA 3.35Å; F1416-S1470 VanDerWaalsContact O-CB 3.29Å; F1416-S1470 WeakPolarHBondContact O-CB 3.33Å; F1416-S1470 PolarHBondContact O-OG 2.98Å; F1416-N1471 PolarHBondContact O-N 3.12Å; F1416-N1471 VanDerWaalsContact O-N 3.12Å |
| 1417 | K | 85 | Confident | 69.4 | Low | 110.6 Ų | 110.6 | 54.2 Ų | 54.2 | 48% | 0.481 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | -49.2 | 175.1 | -177.2 | -178.5 | -179.8 | 178.2 | 0 | 111.6 | K1323 D1324 N1471 K1472 | K1323-K1417 WeakPolarHBondContact O-CB 3.33Å; K1323-K1417 PolarHBondContact O-N 3.07Å; K1323-K1417 VanDerWaalsContact O-N 3.08Å; D1324-K1417 HydrophobicContact CB-CB 3.82Å; D1324-K1417 HydrophobicContact CB-CD 4.14Å; D1324-K1417 PolarHBondContact O-N 3.09Å; D1324-K1417 WeakPolarHBondContact OD2-CD 3.26Å; D1324-K1417 WeakPolarHBondContact OD2-CE 3.44Å; D1324-K1417 IonicContact OD2-NZ 3.39Å; D1324-K1417 PolarHBondContact OD2-NZ 3.11Å; K1417-N1471 VanDerWaalsContact O-CB 3.3Å; K1417-N1471 WeakPolarHBondContact O-CB 3.32Å; K1417-N1471 PolarHBondContact O-N 2.8Å; K1417-K1472 PolarHBondContact O-N 2.92Å; K1417-K1472 VanDerWaalsContact O-N 3.12Å |
| 1418 | T | 86.4 | Confident | 71.8 | Confident | 47.2 Ų | 47.2 | 47.8 Ų | 47.8 | 29% | 0.29 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 133.7 | 170.3 | 63.4 | 0 | 0 | 0 | 0 | 110.3 | I1322 K1323 K1472 | I1322-T1418 CarbonylContact C-O 3.56Å; I1322-T1418 VanDerWaalsContact CA-O 3.3Å; I1322-T1418 WeakPolarHBondContact CA-O 3.28Å; K1323-T1418 VanDerWaalsContact CB-OG1 3.24Å; K1323-T1418 WeakPolarHBondContact CB-OG1 3.4Å; K1323-T1418 VanDerWaalsContact CG-OG1 3.27Å; K1323-T1418 WeakPolarHBondContact CG-OG1 3.37Å; K1323-T1418 PolarHBondContact N-O 2.91Å; K1323-T1418 PolarHBondContact O-N 3.2Å; T1418-K1472 CarbonylContact C-O 3.55Å; T1418-K1472 WeakPolarHBondContact CA-O 3.37Å; T1418-K1472 HydrophobicContact CG2-CB 4.25Å |
| 1419 | F | 88.3 | Confident | 74.3 | Confident | 29 Ų | 29 | 46.7 Ų | 46.7 | 13% | 0.127 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 118.1 | 172.7 | 175.2 | -161 | 0 | 0 | 0 | 108.5 | M1320 D1321 I1322 F1416 W1421 L1468 K1472 L1473 V1474 | M1320-F1419 HydrophobicContact CE-CE2 4.1Å; M1320-F1419 HydrophobicContact CE-CZ 3.98Å; M1320-F1419 HydrophobicContact CG-CD2 4.49Å; M1320-F1419 HydrophobicContact CG-CE2 3.86Å; M1320-F1419 HydrophobicContact SD-CE2 4.12Å; M1320-F1419 HydrophobicContact SD-CZ 4.5Å; D1321-F1419 CarbonylContact O-C 3.54Å; D1321-F1419 WeakPolarHBondContact O-CA 3.38Å; I1322-F1419 HydrophobicContact CD1-CB 4.45Å; I1322-F1419 HydrophobicContact CD1-CD1 4.3Å; I1322-F1419 HydrophobicContact CD1-CD2 3.88Å; I1322-F1419 HydrophobicContact CD1-CE1 4.5Å; I1322-F1419 HydrophobicContact CD1-CE2 3.99Å; I1322-F1419 HydrophobicContact CD1-CG 4.16Å; I1322-F1419 HydrophobicContact CD1-CZ 4.24Å; I1322-F1419 HydrophobicContact CG1-CB 4.44Å; I1322-F1419 HydrophobicContact CG1-CD2 3.47Å; I1322-F1419 VanDerWaalsContact CG1-CD2 3.46Å; I1322-F1419 HydrophobicContact CG1-CE2 3.97Å; I1322-F1419 HydrophobicContact CG1-CG 4.12Å; F1416-F1419 HydrophobicContact CB-CB 4.29Å; F1416-F1419 HydrophobicContact CD2-CB 4.02Å; F1416-F1419 AromaticContact CD2-CD1 3.92Å; F1416-F1419 HydrophobicContact CD2-CD1 3.92Å; F1416-F1419 HydrophobicContact CD2-CG 4.1Å; F1416-F1419 HydrophobicContact CE2-CD1 4.23Å; F1416-F1419 HydrophobicContact CE2-CE1 4.47Å; F1416-F1419 HydrophobicContact CG-CB 4.4Å; F1419-W1421 HydrophobicContact CE2-CB 3.82Å; F1419-W1421 HydrophobicContact CZ-CB 4.06Å; F1419-W1421 HydrophobicContact CZ-CE3 4.38Å; F1419-W1421 HydrophobicContact CZ-CG 4.5Å; F1419-L1468 HydrophobicContact CD1-CD1 4.42Å; F1419-L1468 HydrophobicContact CD1-CD2 4.12Å; F1419-L1468 HydrophobicContact CE1-CD1 4.34Å; F1419-L1468 HydrophobicContact CE1-CD2 4.28Å; F1419-K1472 PolarHBondContact N-O 3.06Å; F1419-L1473 HydrophobicContact CB-CD1 3.87Å; F1419-L1473 HydrophobicContact CD1-CD1 3.26Å; F1419-L1473 VanDerWaalsContact CD1-CD1 3.41Å; F1419-L1473 HydrophobicContact CD1-CD2 3.8Å; F1419-L1473 HydrophobicContact CD1-CG 4.2Å; F1419-L1473 HydrophobicContact CD2-CD1 4.36Å; F1419-L1473 HydrophobicContact CE1-CD1 3.79Å; F1419-L1473 HydrophobicContact CE1-CD2 4.04Å; F1419-L1473 HydrophobicContact CG-CD1 3.58Å; F1419-L1473 HydrophobicContact CZ-CD1 4.42Å; F1419-L1473 CarbonylContact O-C 3.42Å; F1419-L1473 VanDerWaalsContact O-CA 3.29Å; F1419-L1473 WeakPolarHBondContact O-CA 3.32Å; F1419-L1473 WeakPolarHBondContact O-CD1 3.39Å; F1419-V1474 PolarHBondContact O-N 3.07Å |
| 1420 | R | 89.3 | Confident | 76.9 | Confident | 44 Ų | 44 | 40.6 Ų | 40.6 | 17% | 0.166 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 129.5 | 168.7 | -176.3 | 179.5 | -179.4 | 94.9 | 2.1 | 109.5 | M1320 D1321 S1422 V1474 A1476 Q1489 E1491 | M1320-R1420 WeakPolarHBondContact CA-O 3.26Å; D1321-R1420 HydrophobicContact CB-CB 4.34Å; D1321-R1420 PolarHBondContact N-O 3.12Å; D1321-R1420 PolarHBondContact O-N 3.15Å; R1420-S1422 PolarHBondContact NE-OG 3.41Å; R1420-V1474 CarbonylContact C-O 3.56Å; R1420-V1474 VanDerWaalsContact CA-O 3.3Å; R1420-V1474 WeakPolarHBondContact CA-O 3.4Å; R1420-V1474 HydrophobicContact CB-CB 4.37Å; R1420-V1474 HydrophobicContact CG-CB 4.25Å; R1420-V1474 HydrophobicContact CG-CG1 4.33Å; R1420-A1476 VanDerWaalsContact NH2-CB 3.34Å; R1420-Q1489 VanDerWaalsContact NH2-OE1 3.12Å; R1420-E1491 IonicContact CZ-OE1 3.46Å; R1420-E1491 VanDerWaalsContact CZ-OE1 3.28Å; R1420-E1491 IonicContact NH1-OE1 3.6Å; R1420-E1491 PolarHBondContact NH1-OE1 3.11Å; R1420-E1491 IonicContact NH1-OE2 2.78Å; R1420-E1491 IonicContact NH2-OE1 3.31Å; R1420-E1491 PolarHBondContact NH2-OE1 3.17Å; R1420-E1491 VanDerWaalsContact NH2-OE1 3.1Å |
| 1421 | W | 90 | Very high | 79.3 | Confident | 101.2 Ų | 101.2 | 38.6 Ų | 38.6 | 38% | 0.383 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 121.4 | 170.8 | -179.9 | 30.4 | 0 | 0 | 0 | 108.9 | Y1319 M1320 F1419 V1474 L1475 A1476 | Y1319-W1421 AromaticContact CE1-NE1 3.98Å; Y1319-W1421 AromaticContact CE2-NE1 3.81Å; Y1319-W1421 AromaticContact CZ-NE1 3.63Å; Y1319-W1421 VanDerWaalsContact O-CD1 3.28Å; M1320-W1421 HydrophobicContact CE-CG 4.44Å; M1320-W1421 HydrophobicContact CG-CG 4.4Å; F1419-W1421 HydrophobicContact CE2-CB 3.82Å; F1419-W1421 HydrophobicContact CZ-CB 4.06Å; F1419-W1421 HydrophobicContact CZ-CE3 4.38Å; F1419-W1421 HydrophobicContact CZ-CG 4.5Å; W1421-V1474 PolarHBondContact N-O 3.15Å; W1421-L1475 HydrophobicContact CB-CD2 3.81Å; W1421-L1475 HydrophobicContact CD2-CD2 4.28Å; W1421-L1475 HydrophobicContact CE3-CD1 4.42Å; W1421-L1475 HydrophobicContact CE3-CD2 3.76Å; W1421-L1475 HydrophobicContact CG-CD2 4.26Å; W1421-L1475 HydrophobicContact CZ3-CD2 4.45Å; W1421-L1475 CarbonylContact O-C 3.5Å; W1421-L1475 WeakPolarHBondContact O-CA 3.38Å; W1421-A1476 PolarHBondContact O-N 3.23Å |
| 1422 | S | 89.4 | Confident | 81.4 | Confident | 0.2 Ų | 0.2 | 36.2 Ų | 36.2 | 0% | 0.001 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 138.3 | 178.1 | -42.3 | 0 | 0 | 0 | 0 | 109.9 | P1318 Y1319 R1420 W1427 A1476 | P1318-S1422 VanDerWaalsContact O-CB 3.23Å; P1318-S1422 WeakPolarHBondContact O-CB 3.39Å; P1318-S1422 PolarHBondContact O-OG 2.99Å; P1318-S1422 VanDerWaalsContact O-OG 3.11Å; Y1319-S1422 WeakPolarHBondContact CD2-O 3.31Å; Y1319-S1422 PolarHBondContact O-N 3.06Å; R1420-S1422 PolarHBondContact NE-OG 3.41Å; S1422-W1427 VanDerWaalsContact O-CZ3 3.29Å; S1422-W1427 WeakPolarHBondContact O-CZ3 3.34Å; S1422-A1476 CarbonylContact C-O 3.57Å; S1422-A1476 VanDerWaalsContact CA-O 3.31Å; S1422-A1476 WeakPolarHBondContact CA-O 3.35Å |
| 1423 | Y | 87 | Confident | 83.4 | Confident | 76 Ų | 76 | 35 Ų | 35 | 30% | 0.298 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 152.1 | 174.8 | 176.4 | -103.2 | 0 | 0 | 0 | 110.8 | Y1319 E1428 L1431 A1476 L1477 L1478 | Y1319-Y1423 HydrophobicContact CE2-CD2 4.5Å; Y1423-E1428 HydrophobicContact CE2-CG 4.42Å; Y1423-E1428 WeakPolarHBondContact CE2-OE1 3.37Å; Y1423-E1428 WeakPolarHBondContact OH-CG 3.45Å; Y1423-E1428 PolarHBondContact OH-OE1 3.31Å; Y1423-E1428 PolarHBondContact OH-OE2 3.14Å; Y1423-L1431 HydrophobicContact CD2-CD1 4.38Å; Y1423-L1431 HydrophobicContact CE2-CD1 4.07Å; Y1423-A1476 PolarHBondContact N-O 3.06Å; Y1423-L1477 HydrophobicContact CD1-CD1 3.97Å; Y1423-L1477 HydrophobicContact CD1-CD2 3.97Å; Y1423-L1477 HydrophobicContact CE1-CD1 4.47Å; Y1423-L1477 CarbonylContact O-C 3.52Å; Y1423-L1477 VanDerWaalsContact O-CA 3.28Å; Y1423-L1477 WeakPolarHBondContact O-CA 3.39Å; Y1423-L1477 WeakPolarHBondContact O-CD1 3.35Å; Y1423-L1478 VanDerWaalsContact O-CD1 3.26Å; Y1423-L1478 WeakPolarHBondContact O-CD1 3.17Å; Y1423-L1478 PolarHBondContact O-N 3.17Å |
| 1424 | G | 83.1 | Confident | 84.8 | Confident | 0.2 Ų | 0.2 | 35.2 Ų | 35.2 | 0% | 0.002 | 17% | 0.169 | C | C | . | . | trans | -160.8 | 148.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | C1426 W1427 | G1424-C1426 PolarHBondContact O-N 3.2Å; G1424-W1427 VanDerWaalsContact N-CE3 3.31Å; G1424-W1427 WeakPolarHBondContact O-CB 3.35Å; G1424-W1427 PolarHBondContact O-N 3.12Å | ||
| 1425 | P | 81.3 | Confident | 85.4 | Confident | 15.6 Ų | 15.6 | 37.7 Ų | 37.7 | 10% | 0.101 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -56.5 | -28.6 | 173.9 | -26.7 | 36.9 | 0 | 0 | 0 | 113.2 | W1427 E1428 P1429 T1643 V1644 N1648 | P1425-W1427 VanDerWaalsContact C-N 3.31Å; P1425-W1427 PolarHBondContact O-N 3.06Å; P1425-W1427 VanDerWaalsContact O-N 3.17Å; P1425-E1428 VanDerWaalsContact O-CB 3.29Å; P1425-E1428 WeakPolarHBondContact O-CB 3.29Å; P1425-E1428 PolarHBondContact O-N 3.01Å; P1425-E1428 VanDerWaalsContact O-N 3.13Å; P1425-P1429 WeakPolarHBondContact O-CD 3.4Å; P1425-T1643 HydrophobicContact CB-CG2 4.28Å; P1425-T1643 WeakPolarHBondContact CB-O 3.42Å; P1425-T1643 HydrophobicContact CG-CG2 3.87Å; P1425-T1643 VanDerWaalsContact CG-O 3.29Å; P1425-T1643 WeakPolarHBondContact CG-O 3.34Å; P1425-V1644 HydrophobicContact CG-CG2 4.45Å; P1425-N1648 PolarHBondContact O-ND2 2.8Å; P1425-N1648 PolarHBondContact O-OD1 2.64Å |
| 1426 | C | 82.5 | Confident | 85.7 | Confident | 13.2 Ų | 13.2 | 36.4 Ų | 36.4 | 9% | 0.089 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -61.4 | -22.2 | 173.2 | 58.5 | 0 | 0 | 0 | 0 | 114.2 | G1424 P1429 S1480 S1481 P1483 | G1424-C1426 PolarHBondContact O-N 3.2Å; C1426-P1429 WeakPolarHBondContact O-CD 3.42Å; C1426-S1480 WeakPolarHBondContact CB-O 3.49Å; C1426-S1481 VanDerWaalsContact CB-O 3.25Å; C1426-S1481 WeakPolarHBondContact CB-O 3.22Å; C1426-P1483 HydrophobicContact CB-CB 4.29Å; C1426-P1483 HydrophobicContact CB-CG 4.42Å |
| 1427 | W | 86.8 | Confident | 85.9 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -88.1 | -14.9 | 178.5 | -71 | -18.1 | 0 | 0 | 0 | 113.9 | M1312 Y1315 L1317 Y1319 S1422 G1424 P1425 P1429 C1430 L1431 L1478 P1483 | M1312-W1427 HydrophobicContact CE-CB 3.81Å; M1312-W1427 HydrophobicContact CE-CD2 3.44Å; M1312-W1427 VanDerWaalsContact CE-CD2 3.49Å; M1312-W1427 HydrophobicContact CE-CE3 3.2Å; M1312-W1427 HydrophobicContact CE-CG 3.75Å; M1312-W1427 HydrophobicContact CE-CH2 4.43Å; M1312-W1427 HydrophobicContact CE-CZ3 3.82Å; M1312-W1427 HydrophobicContact SD-CB 4.5Å; M1312-W1427 HydrophobicContact SD-CE3 4.34Å; Y1315-W1427 AromaticContact CD2-CD1 3.8Å; Y1315-W1427 HydrophobicContact CD2-CD2 4.36Å; Y1315-W1427 AromaticContact CD2-CE2 3.83Å; Y1315-W1427 HydrophobicContact CD2-CG 4.32Å; Y1315-W1427 HydrophobicContact CD2-CZ2 4.33Å; Y1315-W1427 AromaticContact CD2-NE1 3.48Å; Y1315-W1427 AromaticContact CE2-CD1 3.7Å; Y1315-W1427 HydrophobicContact CE2-CG 4.24Å; Y1315-W1427 AromaticContact CE2-NE1 3.88Å; Y1315-W1427 AromaticContact CG-NE1 3.96Å; L1317-W1427 HydrophobicContact CB-CH2 4.02Å; L1317-W1427 HydrophobicContact CB-CZ2 4.08Å; L1317-W1427 WeakPolarHBondContact O-CH2 3.19Å; Y1319-W1427 AromaticContact CD2-CE3 3.99Å; Y1319-W1427 HydrophobicContact CD2-CE3 4.01Å; Y1319-W1427 AromaticContact CD2-CZ3 3.89Å; Y1319-W1427 HydrophobicContact CD2-CZ3 3.89Å; S1422-W1427 VanDerWaalsContact O-CZ3 3.29Å; S1422-W1427 WeakPolarHBondContact O-CZ3 3.34Å; G1424-W1427 VanDerWaalsContact N-CE3 3.31Å; G1424-W1427 WeakPolarHBondContact O-CB 3.35Å; G1424-W1427 PolarHBondContact O-N 3.12Å; P1425-W1427 VanDerWaalsContact C-N 3.31Å; P1425-W1427 PolarHBondContact O-N 3.06Å; P1425-W1427 VanDerWaalsContact O-N 3.17Å; W1427-P1429 VanDerWaalsContact C-CD 3.44Å; W1427-P1429 VanDerWaalsContact C-N 3.34Å; W1427-C1430 WeakPolarHBondContact O-CA 3.1Å; W1427-C1430 WeakPolarHBondContact O-CB 3.32Å; W1427-C1430 PolarHBondContact O-N 2.92Å; W1427-L1431 HydrophobicContact CB-CD1 4.28Å; W1427-L1431 WeakPolarHBondContact O-CG 3.48Å; W1427-L1431 PolarHBondContact O-N 3.01Å; W1427-L1478 HydrophobicContact CD2-CD1 3.92Å; W1427-L1478 VanDerWaalsContact CE2-CD1 3.48Å; W1427-L1478 HydrophobicContact CE3-CD1 4.32Å; W1427-L1478 HydrophobicContact CG-CD1 4.43Å; W1427-L1478 HydrophobicContact CH2-CD1 4.17Å; W1427-L1478 HydrophobicContact CH2-CD2 4.18Å; W1427-L1478 HydrophobicContact CZ2-CD1 3.89Å; W1427-L1478 HydrophobicContact CZ2-CD2 4.23Å; W1427-L1478 HydrophobicContact CZ3-CB 4.35Å; W1427-L1478 HydrophobicContact CZ3-CD1 4.28Å; W1427-L1478 HydrophobicContact CZ3-CD2 3.95Å; W1427-L1478 HydrophobicContact CZ3-CG 4.35Å; W1427-P1483 VanDerWaalsContact CD1-CB 3.49Å; W1427-P1483 PolarHBondContact NE1-O 2.81Å |
| 1428 | E | 83.8 | Confident | 85.9 | Confident | 56.2 Ų | 56.2 | 33.8 Ų | 33.8 | 26% | 0.263 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -57.4 | -39.6 | 179.6 | -112.7 | -44.1 | 177.9 | 0 | 0 | 114.3 | Y1423 P1425 C1430 L1431 A1432 N1648 | Y1423-E1428 HydrophobicContact CE2-CG 4.42Å; Y1423-E1428 WeakPolarHBondContact CE2-OE1 3.37Å; Y1423-E1428 WeakPolarHBondContact OH-CG 3.45Å; Y1423-E1428 PolarHBondContact OH-OE1 3.31Å; Y1423-E1428 PolarHBondContact OH-OE2 3.14Å; P1425-E1428 VanDerWaalsContact O-CB 3.29Å; P1425-E1428 WeakPolarHBondContact O-CB 3.29Å; P1425-E1428 PolarHBondContact O-N 3.01Å; P1425-E1428 VanDerWaalsContact O-N 3.13Å; E1428-C1430 VanDerWaalsContact C-N 3.3Å; E1428-C1430 PolarHBondContact O-N 3.18Å; E1428-L1431 PolarHBondContact O-N 3.06Å; E1428-A1432 VanDerWaalsContact O-CB 3.29Å; E1428-A1432 WeakPolarHBondContact O-CB 3.35Å; E1428-A1432 PolarHBondContact O-N 3.1Å; E1428-N1648 HydrophobicContact CB-CB 4.36Å; E1428-N1648 VanDerWaalsContact CB-ND2 3.34Å; E1428-N1648 WeakPolarHBondContact CB-ND2 3.31Å; E1428-N1648 VanDerWaalsContact CD-ND2 3.28Å; E1428-N1648 HydrophobicContact CG-CB 4.12Å; E1428-N1648 VanDerWaalsContact CG-ND2 3.34Å; E1428-N1648 WeakPolarHBondContact CG-ND2 3.39Å; E1428-N1648 PolarHBondContact OE2-ND2 3.16Å |
| 1429 | P | 84 | Confident | 85.7 | Confident | 44.6 Ų | 44.6 | 32.4 Ų | 32.4 | 29% | 0.29 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -54.6 | -43.3 | 170.4 | -28.7 | 37.8 | 0 | 0 | 0 | 113.3 | P1425 C1426 W1427 A1432 M1433 V1651 | P1425-P1429 WeakPolarHBondContact O-CD 3.4Å; C1426-P1429 WeakPolarHBondContact O-CD 3.42Å; W1427-P1429 VanDerWaalsContact C-CD 3.44Å; W1427-P1429 VanDerWaalsContact C-N 3.34Å; P1429-A1432 PolarHBondContact O-N 3.14Å; P1429-M1433 WeakPolarHBondContact O-CB 3.3Å; P1429-M1433 PolarHBondContact O-N 3.18Å; P1429-M1433 VanDerWaalsContact O-N 3.13Å; P1429-V1651 HydrophobicContact CB-CG2 3.7Å |
| 1430 | C | 87 | Confident | 85.5 | Confident | 5.4 Ų | 5.4 | 33.8 Ų | 33.8 | 4% | 0.036 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.9 | -46.3 | 178 | -171.5 | 0 | 0 | 0 | 0 | 111.1 | Y1315 W1427 E1428 A1432 M1433 I1434 | Y1315-C1430 HydrophobicContact CE2-CB 4.09Å; W1427-C1430 WeakPolarHBondContact O-CA 3.1Å; W1427-C1430 WeakPolarHBondContact O-CB 3.32Å; W1427-C1430 PolarHBondContact O-N 2.92Å; E1428-C1430 VanDerWaalsContact C-N 3.3Å; E1428-C1430 PolarHBondContact O-N 3.18Å; C1430-A1432 VanDerWaalsContact C-N 3.28Å; C1430-A1432 PolarHBondContact O-N 3.21Å; C1430-M1433 CarbonylContact O-C 3.56Å; C1430-M1433 WeakPolarHBondContact O-CA 3.35Å; C1430-M1433 WeakPolarHBondContact O-CB 3.27Å; C1430-M1433 PolarHBondContact O-N 3.3Å; C1430-I1434 VanDerWaalsContact O-CG1 3.3Å; C1430-I1434 WeakPolarHBondContact O-CG1 3.34Å; C1430-I1434 PolarHBondContact O-N 3.24Å |
| 1431 | L | 87.1 | Confident | 85.4 | Confident | 41.4 Ų | 41.4 | 33.8 Ų | 33.8 | 22% | 0.217 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.6 | -37.5 | 175 | -72.4 | 169.7 | 0 | 0 | 0 | 112.5 | M1312 Y1319 Y1423 W1427 E1428 M1433 I1434 N1435 | M1312-L1431 HydrophobicContact CE-CD2 3.33Å; M1312-L1431 HydrophobicContact CE-CG 3.88Å; M1312-L1431 HydrophobicContact SD-CD2 3.93Å; M1312-L1431 VanDerWaalsContact SD-CD2 3.54Å; M1312-L1431 HydrophobicContact SD-CG 4.1Å; Y1319-L1431 HydrophobicContact CE2-CD2 4.45Å; Y1423-L1431 HydrophobicContact CD2-CD1 4.38Å; Y1423-L1431 HydrophobicContact CE2-CD1 4.07Å; W1427-L1431 HydrophobicContact CB-CD1 4.28Å; W1427-L1431 WeakPolarHBondContact O-CG 3.48Å; W1427-L1431 PolarHBondContact O-N 3.01Å; E1428-L1431 PolarHBondContact O-N 3.06Å; L1431-M1433 VanDerWaalsContact C-N 3.33Å; L1431-I1434 HydrophobicContact CD2-CD1 4.44Å; L1431-I1434 PolarHBondContact O-N 3.03Å; L1431-N1435 VanDerWaalsContact O-CB 3.29Å; L1431-N1435 WeakPolarHBondContact O-CB 3.34Å; L1431-N1435 PolarHBondContact O-N 3.14Å |
| 1432 | A | 83.9 | Confident | 84.9 | Confident | 21.6 Ų | 21.6 | 37.2 Ų | 37.2 | 18% | 0.179 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.6 | -36.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E1428 P1429 C1430 S1436 | E1428-A1432 VanDerWaalsContact O-CB 3.29Å; E1428-A1432 WeakPolarHBondContact O-CB 3.35Å; E1428-A1432 PolarHBondContact O-N 3.1Å; P1429-A1432 PolarHBondContact O-N 3.14Å; C1430-A1432 VanDerWaalsContact C-N 3.28Å; C1430-A1432 PolarHBondContact O-N 3.21Å; A1432-S1436 WeakPolarHBondContact O-CB 3.49Å; A1432-S1436 PolarHBondContact O-N 3.36Å; A1432-S1436 VanDerWaalsContact O-N 3.1Å; A1432-S1436 PolarHBondContact O-OG 3.06Å |
| 1433 | M | 86.1 | Confident | 84.2 | Confident | 19 Ų | 19 | 43.2 Ų | 43.2 | 9% | 0.094 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.4 | -47.3 | 173.7 | -171.1 | 128.2 | 161.1 | 0 | 0 | 111.3 | Y1108 D1171 D1172 L1250 R1313 P1429 C1430 L1431 N1435 S1436 C1437 V1651 K1652 | Y1108-M1433 HydrophobicContact CE2-CE 4.43Å; D1171-M1433 WeakPolarHBondContact OD1-CE 3.45Å; D1172-M1433 HydrophobicContact CB-CE 4.15Å; L1250-M1433 HydrophobicContact CD1-CB 4.4Å; L1250-M1433 HydrophobicContact CD1-CE 4.49Å; L1250-M1433 HydrophobicContact CD1-CG 4.24Å; L1250-M1433 HydrophobicContact CD1-SD 4.21Å; L1250-M1433 HydrophobicContact CD2-CB 4.36Å; L1250-M1433 HydrophobicContact CD2-CG 3.87Å; R1313-M1433 PolarHBondContact NH2-SD 3.31Å; P1429-M1433 WeakPolarHBondContact O-CB 3.3Å; P1429-M1433 PolarHBondContact O-N 3.18Å; P1429-M1433 VanDerWaalsContact O-N 3.13Å; C1430-M1433 CarbonylContact O-C 3.56Å; C1430-M1433 WeakPolarHBondContact O-CA 3.35Å; C1430-M1433 WeakPolarHBondContact O-CB 3.27Å; C1430-M1433 PolarHBondContact O-N 3.3Å; L1431-M1433 VanDerWaalsContact C-N 3.33Å; M1433-N1435 VanDerWaalsContact C-N 3.27Å; M1433-N1435 PolarHBondContact O-N 3.06Å; M1433-S1436 CarbonylContact O-C 3.54Å; M1433-S1436 WeakPolarHBondContact O-CA 3.39Å; M1433-S1436 VanDerWaalsContact O-CB 3.28Å; M1433-S1436 WeakPolarHBondContact O-CB 3.33Å; M1433-S1436 PolarHBondContact O-N 2.93Å; M1433-C1437 PolarHBondContact O-N 3.08Å; M1433-C1437 PolarHBondContact O-SG 3.22Å; M1433-C1437 VanDerWaalsContact O-SG 3.41Å; M1433-V1651 HydrophobicContact CB-CG1 4.39Å; M1433-V1651 HydrophobicContact SD-CG1 4.32Å; M1433-K1652 HydrophobicContact CE-CD 4.49Å; M1433-K1652 HydrophobicContact SD-CD 4.21Å |
| 1434 | I | 88.5 | Confident | 83.4 | Confident | 14.4 Ų | 14.4 | 46.3 Ų | 46.3 | 7% | 0.074 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -55.3 | -46.7 | 174.9 | -67.2 | 163 | 0 | 0 | 0 | 110.5 | I1169 L1250 F1251 M1312 C1430 L1431 S1436 C1437 L1438 | I1169-I1434 HydrophobicContact CD1-CG2 4.35Å; L1250-I1434 HydrophobicContact CD1-CG1 4.3Å; L1250-I1434 HydrophobicContact CD2-CG1 3.85Å; L1250-I1434 HydrophobicContact CG-CG1 3.75Å; F1251-I1434 HydrophobicContact CB-CD1 3.83Å; F1251-I1434 HydrophobicContact CB-CG1 3.98Å; F1251-I1434 HydrophobicContact CB-CG2 4.46Å; F1251-I1434 HydrophobicContact CD2-CD1 4.04Å; F1251-I1434 HydrophobicContact CG-CD1 4.18Å; M1312-I1434 HydrophobicContact CE-CD1 4.27Å; M1312-I1434 HydrophobicContact CG-CD1 3.89Å; M1312-I1434 HydrophobicContact SD-CD1 3.98Å; C1430-I1434 VanDerWaalsContact O-CG1 3.3Å; C1430-I1434 WeakPolarHBondContact O-CG1 3.34Å; C1430-I1434 PolarHBondContact O-N 3.24Å; L1431-I1434 HydrophobicContact CD2-CD1 4.44Å; L1431-I1434 PolarHBondContact O-N 3.03Å; I1434-S1436 VanDerWaalsContact C-N 3.28Å; I1434-S1436 PolarHBondContact O-N 2.94Å; I1434-C1437 PolarHBondContact O-N 3.06Å; I1434-L1438 HydrophobicContact CG2-CD1 3.93Å; I1434-L1438 HydrophobicContact CG2-CG 4.33Å; I1434-L1438 WeakPolarHBondContact O-CB 3.35Å; I1434-L1438 VanDerWaalsContact O-CG 3.3Å; I1434-L1438 WeakPolarHBondContact O-CG 3.3Å; I1434-L1438 PolarHBondContact O-N 3.01Å |
| 1435 | N | 85 | Confident | 83.1 | Confident | 68.2 Ų | 68.2 | 49.7 Ų | 49.7 | 37% | 0.365 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.1 | -27.9 | 176.5 | 177 | 71 | 0 | 0 | 0 | 112.9 | L1431 M1433 L1438 A1439 K1664 | L1431-N1435 VanDerWaalsContact O-CB 3.29Å; L1431-N1435 WeakPolarHBondContact O-CB 3.34Å; L1431-N1435 PolarHBondContact O-N 3.14Å; M1433-N1435 VanDerWaalsContact C-N 3.27Å; M1433-N1435 PolarHBondContact O-N 3.06Å; N1435-L1438 PolarHBondContact O-N 3.48Å; N1435-A1439 WeakPolarHBondContact O-CB 3.36Å; N1435-A1439 PolarHBondContact O-N 3Å; N1435-K1664 PolarHBondContact ND2-NZ 3.01Å; N1435-K1664 PolarHBondContact OD1-NZ 3.05Å |
| 1436 | S | 82.9 | Confident | 82.8 | Confident | 36 Ų | 36 | 51.8 Ų | 51.8 | 25% | 0.252 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -73.8 | -42.2 | 174.3 | -59.5 | 0 | 0 | 0 | 0 | 111.4 | A1432 M1433 I1434 A1439 | A1432-S1436 WeakPolarHBondContact O-CB 3.49Å; A1432-S1436 PolarHBondContact O-N 3.36Å; A1432-S1436 VanDerWaalsContact O-N 3.1Å; A1432-S1436 PolarHBondContact O-OG 3.06Å; M1433-S1436 CarbonylContact O-C 3.54Å; M1433-S1436 WeakPolarHBondContact O-CA 3.39Å; M1433-S1436 VanDerWaalsContact O-CB 3.28Å; M1433-S1436 WeakPolarHBondContact O-CB 3.33Å; M1433-S1436 PolarHBondContact O-N 2.93Å; I1434-S1436 VanDerWaalsContact C-N 3.28Å; I1434-S1436 PolarHBondContact O-N 2.94Å; S1436-A1439 WeakPolarHBondContact O-CB 3.38Å; S1436-A1439 PolarHBondContact O-N 3.03Å; S1436-A1439 VanDerWaalsContact O-N 3.15Å |
| 1437 | C | 86.7 | Confident | 82.7 | Confident | 19.4 Ų | 19.4 | 51.6 Ų | 51.6 | 13% | 0.131 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.2 | -40.8 | 172.7 | -61.8 | 0 | 0 | 0 | 0 | 112.1 | I1169 L1250 M1433 I1434 A1439 L1440 I1441 | I1169-C1437 HydrophobicContact CG2-CB 3.59Å; L1250-C1437 HydrophobicContact CD2-CB 4.46Å; M1433-C1437 PolarHBondContact O-N 3.08Å; M1433-C1437 PolarHBondContact O-SG 3.22Å; M1433-C1437 VanDerWaalsContact O-SG 3.41Å; I1434-C1437 PolarHBondContact O-N 3.06Å; C1437-A1439 PolarHBondContact O-N 3.09Å; C1437-A1439 VanDerWaalsContact O-N 3.1Å; C1437-L1440 WeakPolarHBondContact O-CA 3.36Å; C1437-L1440 VanDerWaalsContact O-CB 3.3Å; C1437-L1440 WeakPolarHBondContact O-CB 3.32Å; C1437-L1440 PolarHBondContact O-N 2.97Å; C1437-I1441 PolarHBondContact O-N 3.12Å |
| 1438 | L | 85.7 | Confident | 82.3 | Confident | 55.4 Ų | 55.4 | 54.7 Ų | 54.7 | 29% | 0.29 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.2 | -22.9 | 174.1 | -76.4 | 171 | 0 | 0 | 0 | 113.1 | I1169 I1434 N1435 L1440 I1441 R1442 | I1169-L1438 HydrophobicContact CD1-CD2 3.82Å; I1169-L1438 HydrophobicContact CD1-CG 4.04Å; I1434-L1438 HydrophobicContact CG2-CD1 3.93Å; I1434-L1438 HydrophobicContact CG2-CG 4.33Å; I1434-L1438 WeakPolarHBondContact O-CB 3.35Å; I1434-L1438 VanDerWaalsContact O-CG 3.3Å; I1434-L1438 WeakPolarHBondContact O-CG 3.3Å; I1434-L1438 PolarHBondContact O-N 3.01Å; N1435-L1438 PolarHBondContact O-N 3.48Å; L1438-L1440 VanDerWaalsContact C-N 3.31Å; L1438-L1440 PolarHBondContact O-N 2.81Å; L1438-I1441 HydrophobicContact CD2-CD1 4.25Å; L1438-I1441 PolarHBondContact O-N 2.98Å; L1438-R1442 WeakPolarHBondContact O-CB 3.3Å; L1438-R1442 WeakPolarHBondContact O-CG 3.39Å; L1438-R1442 PolarHBondContact O-N 2.93Å |
| 1439 | A | 81.1 | Confident | 82.4 | Confident | 19.2 Ų | 19.2 | 52.6 Ų | 52.6 | 16% | 0.159 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -80.7 | -10.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | N1113 N1435 S1436 C1437 R1442 | N1113-A1439 PolarHBondContact ND2-O 2.97Å; N1435-A1439 WeakPolarHBondContact O-CB 3.36Å; N1435-A1439 PolarHBondContact O-N 3Å; S1436-A1439 WeakPolarHBondContact O-CB 3.38Å; S1436-A1439 PolarHBondContact O-N 3.03Å; S1436-A1439 VanDerWaalsContact O-N 3.15Å; C1437-A1439 PolarHBondContact O-N 3.09Å; C1437-A1439 VanDerWaalsContact O-N 3.1Å; A1439-R1442 CarbonylContact C-O 3.55Å; A1439-R1442 WeakPolarHBondContact CA-O 3.39Å; A1439-R1442 VanDerWaalsContact O-O 3.1Å |
| 1440 | L | 85 | Confident | 82.3 | Confident | 57 Ų | 57 | 53.1 Ų | 53.1 | 30% | 0.298 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -85 | -33.4 | 166.4 | -55.6 | 176.4 | 0 | 0 | 0 | 110.7 | Y1110 H1111 F1112 N1113 C1437 L1438 | Y1110-L1440 WeakPolarHBondContact O-CB 3.32Å; H1111-L1440 VanDerWaalsContact CE1-CD2 3.43Å; H1111-L1440 WeakPolarHBondContact CE1-CD2 3.19Å; F1112-L1440 PolarHBondContact N-O 3.16Å; N1113-L1440 VanDerWaalsContact CB-O 3.25Å; N1113-L1440 WeakPolarHBondContact CB-O 3.38Å; N1113-L1440 PolarHBondContact N-O 3.38Å; N1113-L1440 PolarHBondContact ND2-O 2.8Å; N1113-L1440 PolarHBondContact OD1-O 2.83Å; C1437-L1440 WeakPolarHBondContact O-CA 3.36Å; C1437-L1440 VanDerWaalsContact O-CB 3.3Å; C1437-L1440 WeakPolarHBondContact O-CB 3.32Å; C1437-L1440 PolarHBondContact O-N 2.97Å; L1438-L1440 VanDerWaalsContact C-N 3.31Å; L1438-L1440 PolarHBondContact O-N 2.81Å |
| 1441 | I | 86.8 | Confident | 82.1 | Confident | 45.4 Ų | 45.4 | 56.8 Ų | 56.8 | 23% | 0.233 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -76.8 | -47 | 176.9 | -59.3 | 168.2 | 0 | 0 | 0 | 111.2 | F1106 F1112 N1113 I1169 C1437 L1438 R1443 | F1106-I1441 HydrophobicContact CB-CD1 3.82Å; F1106-I1441 HydrophobicContact CB-CG1 4.16Å; F1106-I1441 HydrophobicContact CD1-CD1 4.07Å; F1106-I1441 HydrophobicContact CD1-CG1 3.83Å; F1106-I1441 HydrophobicContact CD1-CG2 4.3Å; F1106-I1441 HydrophobicContact CD2-CD1 3.58Å; F1106-I1441 HydrophobicContact CD2-CG1 4.27Å; F1106-I1441 HydrophobicContact CE1-CG1 4.29Å; F1106-I1441 HydrophobicContact CE1-CG2 3.89Å; F1106-I1441 HydrophobicContact CE2-CD1 4.13Å; F1106-I1441 HydrophobicContact CE2-CG2 4.33Å; F1106-I1441 HydrophobicContact CG-CD1 3.54Å; F1106-I1441 HydrophobicContact CG-CG1 3.81Å; F1106-I1441 HydrophobicContact CZ-CG2 3.9Å; F1112-I1441 HydrophobicContact CD1-CG2 4.09Å; N1113-I1441 WeakPolarHBondContact CB-O 3.45Å; I1169-I1441 HydrophobicContact CD1-CD1 4.03Å; I1169-I1441 HydrophobicContact CG1-CD1 4Å; C1437-I1441 PolarHBondContact O-N 3.12Å; L1438-I1441 HydrophobicContact CD2-CD1 4.25Å; L1438-I1441 PolarHBondContact O-N 2.98Å; I1441-R1443 PolarHBondContact O-N 3.28Å |
| 1442 | R | 79.8 | Confident | 81.9 | Confident | 172.4 Ų | 172.4 | 55.6 Ų | 55.6 | 65% | 0.651 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -100.5 | 130 | 178.7 | -58.6 | -176 | -163.3 | -178.5 | 3.3 | 109.8 | N1113 L1438 A1439 R1444 | N1113-R1442 PolarHBondContact ND2-O 2.74Å; L1438-R1442 WeakPolarHBondContact O-CB 3.3Å; L1438-R1442 WeakPolarHBondContact O-CG 3.39Å; L1438-R1442 PolarHBondContact O-N 2.93Å; A1439-R1442 CarbonylContact C-O 3.55Å; A1439-R1442 WeakPolarHBondContact CA-O 3.39Å; A1439-R1442 VanDerWaalsContact O-O 3.1Å; R1442-R1444 PolarHBondContact O-N 3.16Å |
| 1443 | R | 74.1 | Confident | 82 | Confident | 124.6 Ų | 124.6 | 55.1 Ų | 55.1 | 47% | 0.47 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 143.3 | 173.7 | -163.3 | -174.8 | -176.2 | 163 | 10.1 | 110.4 | N1113 E1117 I1441 | N1113-R1443 HydrophobicContact CB-CB 4.21Å; E1117-R1443 IonicContact OE1-CZ 3.4Å; E1117-R1443 IonicContact OE1-NH1 3.08Å; E1117-R1443 PolarHBondContact OE1-NH1 2.85Å; E1117-R1443 IonicContact OE1-NH2 2.87Å; E1117-R1443 PolarHBondContact OE1-NH2 3.47Å; E1117-R1443 WeakPolarHBondContact OE2-CD 3.45Å; E1117-R1443 IonicContact OE2-CZ 3.48Å; E1117-R1443 IonicContact OE2-NE 3.11Å; E1117-R1443 PolarHBondContact OE2-NE 3.37Å; E1117-R1443 IonicContact OE2-NH1 3.34Å; E1117-R1443 PolarHBondContact OE2-NH1 3.17Å; E1117-R1443 IonicContact OE2-NH2 3.8Å; E1117-R1443 PolarHBondContact OE2-NH2 2.96Å; I1441-R1443 PolarHBondContact O-N 3.28Å |
| 1444 | R | 70.8 | Confident | 81.7 | Confident | 142.8 Ų | 142.8 | 60.2 Ų | 60.2 | 54% | 0.539 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 153.8 | 171.6 | -60.8 | 174.5 | -174.5 | -167.4 | -4.6 | 110.4 | R1442 L1446 R1661 | R1442-R1444 PolarHBondContact O-N 3.16Å; R1444-L1446 PolarHBondContact O-N 3.04Å; R1444-R1661 VanDerWaalsContact CZ-CZ 3.44Å; R1444-R1661 VanDerWaalsContact NH2-CZ 3.27Å; R1444-R1661 VanDerWaalsContact NH2-NH2 3.14Å |
| 1445 | S | 75.3 | Confident | 81.6 | Confident | 71.4 Ų | 71.4 | 60.2 Ų | 60.2 | 50% | 0.499 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 140.5 | 163.9 | 87.1 | 0 | 0 | 0 | 0 | 109.3 | D1447 | S1445-D1447 VanDerWaalsContact C-N 3.31Å; S1445-D1447 WeakPolarHBondContact OG-CB 3.3Å; S1445-D1447 PolarHBondContact OG-N 3.12Å |
| 1446 | L | 75.5 | Confident | 81.7 | Confident | 59.8 Ų | 59.8 | 57 Ų | 57 | 31% | 0.313 | 29% | 0.289 | S | S | . | . | trans | -89.9 | -15.1 | 176.1 | -66.9 | 172.8 | 0 | 0 | 0 | 112.8 | R1361 I1380 R1444 P1584 | R1361-L1446 VanDerWaalsContact CD-CD1 3.45Å; R1361-L1446 VanDerWaalsContact NE-CD1 3.27Å; I1380-L1446 HydrophobicContact CG2-CB 4.45Å; R1444-L1446 PolarHBondContact O-N 3.04Å; L1446-P1584 WeakPolarHBondContact O-CD 3.34Å; L1446-P1584 WeakPolarHBondContact O-CG 3.35Å | ||
| 1447 | D | 80.3 | Confident | 81.9 | Confident | 7.8 Ų | 7.8 | 60.6 Ų | 60.6 | 4% | 0.042 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -61.6 | 130.5 | 173.1 | -176.9 | -21 | 0 | 0 | 0 | 110.1 | S1445 S1449 L1581 C1582 H1596 S1598 | S1445-D1447 VanDerWaalsContact C-N 3.31Å; S1445-D1447 WeakPolarHBondContact OG-CB 3.3Å; S1445-D1447 PolarHBondContact OG-N 3.12Å; D1447-S1449 PolarHBondContact O-N 3.08Å; D1447-S1449 WeakPolarHBondContact OD1-CB 3.28Å; D1447-S1449 PolarHBondContact OD1-N 3.15Å; D1447-S1449 PolarHBondContact OD1-OG 3.15Å; D1447-S1449 WeakPolarHBondContact OD2-CB 3.41Å; D1447-S1449 PolarHBondContact OD2-N 3.39Å; D1447-S1449 PolarHBondContact OD2-OG 2.92Å; D1447-L1581 HydrophobicContact CB-CB 4.24Å; D1447-L1581 HydrophobicContact CB-CD1 4.44Å; D1447-L1581 HydrophobicContact CB-CD2 4.22Å; D1447-L1581 HydrophobicContact CB-CG 4.39Å; D1447-L1581 WeakPolarHBondContact OD2-CA 3.29Å; D1447-L1581 WeakPolarHBondContact OD2-CD2 3.47Å; D1447-C1582 WeakPolarHBondContact CA-O 3.34Å; D1447-C1582 WeakPolarHBondContact CB-O 3.35Å; D1447-C1582 PolarHBondContact OD1-N 2.99Å; D1447-C1582 PolarHBondContact OD2-N 3.29Å; D1447-H1596 IonicContact OD1-CD2 3.38Å; D1447-H1596 IonicContact OD1-CE1 2.93Å; D1447-H1596 IonicContact OD1-NE2 3.37Å; D1447-H1596 PolarHBondContact OD1-NE2 3.4Å; D1447-H1596 IonicContact OD2-CD2 2.69Å; D1447-H1596 IonicContact OD2-NE2 3.04Å; D1447-S1598 PolarHBondContact OD1-OG 2.95Å; D1447-S1598 VanDerWaalsContact OD1-OG 3.1Å; D1447-S1598 WeakPolarHBondContact OD2-CB 3.37Å; D1447-S1598 PolarHBondContact OD2-OG 2.99Å |
| 1448 | P | 79.2 | Confident | 81.8 | Confident | 66.6 Ų | 66.6 | 61.6 Ų | 61.6 | 43% | 0.432 | 31% | 0.31 | S | S | . | . | trans | -78.4 | 5.3 | -174.1 | 30.7 | -33.8 | 0 | 0 | 0 | 114.3 | P1584 L1587 | P1448-P1584 HydrophobicContact CG-CB 4.42Å; P1448-L1587 HydrophobicContact CG-CD1 4.02Å; P1448-L1587 HydrophobicContact CG-CD2 3.67Å; P1448-L1587 VanDerWaalsContact CG-CD2 3.46Å; P1448-L1587 HydrophobicContact CG-CG 4.36Å | ||
| 1449 | S | 85.2 | Confident | 81.9 | Confident | 12.6 Ų | 12.6 | 60 Ų | 60 | 9% | 0.088 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -63 | 155 | 177.6 | 58.2 | 0 | 0 | 0 | 0 | 113.5 | D1447 H1596 D1597 Y1599 | D1447-S1449 PolarHBondContact O-N 3.08Å; D1447-S1449 WeakPolarHBondContact OD1-CB 3.28Å; D1447-S1449 PolarHBondContact OD1-N 3.15Å; D1447-S1449 PolarHBondContact OD1-OG 3.15Å; D1447-S1449 WeakPolarHBondContact OD2-CB 3.41Å; D1447-S1449 PolarHBondContact OD2-N 3.39Å; D1447-S1449 PolarHBondContact OD2-OG 2.92Å; S1449-H1596 WeakPolarHBondContact CA-O 3.34Å; S1449-D1597 WeakPolarHBondContact CB-OD1 3.33Å; S1449-Y1599 VanDerWaalsContact OG-CD2 3.3Å; S1449-Y1599 WeakPolarHBondContact OG-CD2 3.36Å; S1449-Y1599 VanDerWaalsContact OG-CE2 3.26Å; S1449-Y1599 WeakPolarHBondContact OG-CE2 3.39Å |
| 1450 | P | 83.1 | Confident | 82.2 | Confident | 55.6 Ų | 55.6 | 59.4 Ų | 59.4 | 36% | 0.361 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 136.7 | 175.2 | -20.6 | 30.8 | 0 | 0 | 0 | 111.5 | L1452 R1603 | P1450-L1452 PolarHBondContact O-N 3.07Å; P1450-R1603 PolarHBondContact O-NH1 3.03Å; P1450-R1603 PolarHBondContact O-NH2 3.07Å; P1450-R1603 VanDerWaalsContact O-NH2 3.12Å |
| 1451 | P | 81.1 | Confident | 82.5 | Confident | 81.6 Ų | 81.6 | 57.9 Ų | 57.9 | 53% | 0.53 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 131.2 | -173.2 | 25.8 | -34.6 | 0 | 0 | 0 | 111.9 | R1603 T1662 | P1451-R1603 PolarHBondContact O-NH1 3.31Å; P1451-T1662 WeakPolarHBondContact CD-OG1 3.37Å |
| 1452 | L | 84.4 | Confident | 82.5 | Confident | 17 Ų | 17 | 60.5 Ų | 60.5 | 9% | 0.089 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 142.8 | 175.7 | -75.3 | 179.9 | 0 | 0 | 0 | 112.3 | P1450 D1456 K1457 L1460 Y1599 R1603 K1664 | P1450-L1452 PolarHBondContact O-N 3.07Å; L1452-D1456 HydrophobicContact CB-CB 4.39Å; L1452-D1456 HydrophobicContact CD1-CB 4.35Å; L1452-D1456 HydrophobicContact CD2-CB 3.97Å; L1452-D1456 HydrophobicContact CG-CB 4.45Å; L1452-K1457 HydrophobicContact CB-CB 4.37Å; L1452-L1460 HydrophobicContact CD1-CD2 3.95Å; L1452-Y1599 HydrophobicContact CD1-CD1 3.57Å; L1452-Y1599 VanDerWaalsContact CD1-CD1 3.48Å; L1452-Y1599 HydrophobicContact CD1-CD2 4.26Å; L1452-Y1599 HydrophobicContact CD1-CE1 3.65Å; L1452-Y1599 HydrophobicContact CD1-CE2 4.32Å; L1452-Y1599 HydrophobicContact CD1-CG 3.88Å; L1452-Y1599 HydrophobicContact CD2-CD1 4.36Å; L1452-Y1599 HydrophobicContact CD2-CD2 4.22Å; L1452-Y1599 HydrophobicContact CD2-CG 3.89Å; L1452-Y1599 HydrophobicContact CG-CD1 4.04Å; L1452-Y1599 HydrophobicContact CG-CD2 3.86Å; L1452-Y1599 HydrophobicContact CG-CE1 4.3Å; L1452-Y1599 HydrophobicContact CG-CE2 4.11Å; L1452-Y1599 HydrophobicContact CG-CG 3.81Å; L1452-R1603 HydrophobicContact CD2-CB 4.3Å; L1452-R1603 HydrophobicContact CD2-CG 4.24Å; L1452-K1664 WeakPolarHBondContact O-CE 3.14Å; L1452-K1664 PolarHBondContact O-NZ 2.83Å |
| 1453 | P | 84.6 | Confident | 82.9 | Confident | 11.4 Ų | 11.4 | 52.5 Ų | 52.5 | 7% | 0.074 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 163.3 | 166.4 | 30.5 | -34.7 | 0 | 0 | 0 | 110.8 | W1455 D1456 K1457 | P1453-W1455 VanDerWaalsContact C-N 3.3Å; P1453-W1455 HydrophobicContact CB-CD2 3.76Å; P1453-W1455 VanDerWaalsContact CB-CE2 3.45Å; P1453-W1455 HydrophobicContact CB-CE3 3.97Å; P1453-W1455 HydrophobicContact CB-CG 4.46Å; P1453-W1455 HydrophobicContact CB-CH2 3.65Å; P1453-W1455 HydrophobicContact CB-CZ2 3.4Å; P1453-W1455 VanDerWaalsContact CB-CZ2 3.44Å; P1453-W1455 HydrophobicContact CB-CZ3 3.92Å; P1453-W1455 HydrophobicContact CG-CD2 4.07Å; P1453-W1455 VanDerWaalsContact CG-CE2 3.43Å; P1453-W1455 HydrophobicContact CG-CG 4.45Å; P1453-W1455 HydrophobicContact CG-CH2 4.39Å; P1453-W1455 HydrophobicContact CG-CZ2 3.67Å; P1453-W1455 PolarHBondContact O-N 2.95Å; P1453-D1456 HydrophobicContact CG-CB 3.98Å; P1453-D1456 PolarHBondContact O-N 3.08Å; P1453-K1457 VanDerWaalsContact O-CB 3.32Å; P1453-K1457 WeakPolarHBondContact O-CB 3.35Å; P1453-K1457 PolarHBondContact O-N 3.14Å |
| 1454 | F | 81.5 | Confident | 83.3 | Confident | 126.6 Ų | 126.6 | 46.6 Ų | 46.6 | 56% | 0.555 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -66 | -32.1 | -170.6 | 79.3 | -95.4 | 0 | 0 | 0 | 113 | K1457 A1458 L1667 | F1454-K1457 PolarHBondContact O-N 3.13Å; F1454-A1458 WeakPolarHBondContact O-CB 3.38Å; F1454-A1458 PolarHBondContact O-N 3.31Å; F1454-L1667 HydrophobicContact CE1-CB 4.48Å; F1454-L1667 HydrophobicContact CZ-CD2 4.28Å |
| 1455 | W | 84.9 | Confident | 83.8 | Confident | 13.8 Ų | 13.8 | 44 Ų | 44 | 5% | 0.052 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.7 | -46 | 178.7 | 54.3 | 85.9 | 0 | 0 | 0 | 112.5 | P1453 K1457 A1458 R1459 W1567 S1604 S1665 L1667 H1670 | P1453-W1455 VanDerWaalsContact C-N 3.3Å; P1453-W1455 HydrophobicContact CB-CD2 3.76Å; P1453-W1455 VanDerWaalsContact CB-CE2 3.45Å; P1453-W1455 HydrophobicContact CB-CE3 3.97Å; P1453-W1455 HydrophobicContact CB-CG 4.46Å; P1453-W1455 HydrophobicContact CB-CH2 3.65Å; P1453-W1455 HydrophobicContact CB-CZ2 3.4Å; P1453-W1455 VanDerWaalsContact CB-CZ2 3.44Å; P1453-W1455 HydrophobicContact CB-CZ3 3.92Å; P1453-W1455 HydrophobicContact CG-CD2 4.07Å; P1453-W1455 VanDerWaalsContact CG-CE2 3.43Å; P1453-W1455 HydrophobicContact CG-CG 4.45Å; P1453-W1455 HydrophobicContact CG-CH2 4.39Å; P1453-W1455 HydrophobicContact CG-CZ2 3.67Å; P1453-W1455 PolarHBondContact O-N 2.95Å; W1455-K1457 VanDerWaalsContact C-N 3.28Å; W1455-K1457 PolarHBondContact O-N 3.15Å; W1455-A1458 WeakPolarHBondContact O-CB 3.31Å; W1455-A1458 PolarHBondContact O-N 3.13Å; W1455-A1458 VanDerWaalsContact O-N 3.08Å; W1455-R1459 WeakPolarHBondContact O-CB 3.34Å; W1455-R1459 WeakPolarHBondContact O-CG 3.39Å; W1455-R1459 PolarHBondContact O-N 3.12Å; W1455-W1567 HydrophobicContact CB-CH2 3.73Å; W1455-W1567 HydrophobicContact CB-CZ2 4.37Å; W1455-W1567 HydrophobicContact CB-CZ3 4.37Å; W1455-W1567 AromaticContact CD1-CH2 3.41Å; W1455-W1567 VanDerWaalsContact CD1-CH2 3.43Å; W1455-W1567 AromaticContact CD1-CZ3 3.21Å; W1455-W1567 AromaticContact CG-CH2 3.73Å; W1455-W1567 HydrophobicContact CG-CH2 3.73Å; W1455-W1567 AromaticContact CG-CZ3 3.89Å; W1455-W1567 HydrophobicContact CG-CZ3 3.98Å; W1455-W1567 AromaticContact NE1-CZ3 3.67Å; W1455-S1604 PolarHBondContact NE1-OG 3.18Å; W1455-S1604 VanDerWaalsContact NE1-OG 3.13Å; W1455-S1665 VanDerWaalsContact CH2-O 3.3Å; W1455-S1665 WeakPolarHBondContact CH2-O 3.43Å; W1455-S1665 VanDerWaalsContact CH2-OG 3.26Å; W1455-S1665 WeakPolarHBondContact CH2-OG 3.31Å; W1455-S1665 WeakPolarHBondContact CZ2-OG 3.35Å; W1455-S1665 WeakPolarHBondContact CZ3-O 3.4Å; W1455-L1667 HydrophobicContact CD2-CD1 3.84Å; W1455-L1667 HydrophobicContact CE3-CB 4.01Å; W1455-L1667 HydrophobicContact CE3-CD1 3.76Å; W1455-L1667 HydrophobicContact CE3-CG 4.39Å; W1455-L1667 HydrophobicContact CG-CD1 4.25Å; W1455-L1667 HydrophobicContact CH2-CB 4.27Å; W1455-L1667 HydrophobicContact CH2-CD1 4.44Å; W1455-L1667 HydrophobicContact CZ3-CB 3.68Å; W1455-L1667 HydrophobicContact CZ3-CD1 4.1Å; W1455-L1667 HydrophobicContact CZ3-CG 4.46Å; W1455-H1670 AromaticContact CE2-CD2 3.84Å; W1455-H1670 AromaticContact CE2-CG 3.96Å; W1455-H1670 HydrophobicContact CH2-CB 4.26Å; W1455-H1670 HydrophobicContact CZ2-CB 3.83Å; W1455-H1670 AromaticContact CZ2-CD2 3.81Å; W1455-H1670 AromaticContact CZ2-CG 3.56Å; W1455-H1670 VanDerWaalsContact CZ2-CG 3.47Å; W1455-H1670 AromaticContact CZ2-ND1 3.72Å; W1455-H1670 AromaticContact NE1-CD2 3.58Å; W1455-H1670 AromaticContact NE1-CE1 3.96Å; W1455-H1670 AromaticContact NE1-NE2 3.59Å; W1455-H1670 PolarHBondContact NE1-NE2 3.12Å |
| 1456 | D | 87.8 | Confident | 84 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.7 | -37.3 | 173.5 | -76.7 | -11.7 | 0 | 0 | 0 | 110.9 | L1452 P1453 A1458 R1459 L1460 R1603 S1604 | L1452-D1456 HydrophobicContact CB-CB 4.39Å; L1452-D1456 HydrophobicContact CD1-CB 4.35Å; L1452-D1456 HydrophobicContact CD2-CB 3.97Å; L1452-D1456 HydrophobicContact CG-CB 4.45Å; P1453-D1456 HydrophobicContact CG-CB 3.98Å; P1453-D1456 PolarHBondContact O-N 3.08Å; D1456-A1458 VanDerWaalsContact C-N 3.34Å; D1456-R1459 CarbonylContact O-C 3.59Å; D1456-R1459 PolarHBondContact O-N 3.21Å; D1456-R1459 IonicContact OD1-CZ 3.19Å; D1456-R1459 IonicContact OD1-NE 3.44Å; D1456-R1459 IonicContact OD1-NH1 3.39Å; D1456-R1459 PolarHBondContact OD1-NH1 2.82Å; D1456-R1459 VanDerWaalsContact OD1-NH1 3.07Å; D1456-R1459 IonicContact OD1-NH2 3.22Å; D1456-R1459 PolarHBondContact OD1-NH2 2.99Å; D1456-R1459 IonicContact OD2-NH2 2.67Å; D1456-L1460 VanDerWaalsContact O-CB 3.29Å; D1456-L1460 WeakPolarHBondContact O-CB 3.38Å; D1456-L1460 PolarHBondContact O-N 3.01Å; D1456-R1603 WeakPolarHBondContact OD2-CA 3.45Å; D1456-R1603 VanDerWaalsContact OD2-CG 3.26Å; D1456-R1603 WeakPolarHBondContact OD2-CG 3.35Å; D1456-S1604 VanDerWaalsContact CG-OG 3.27Å; D1456-S1604 WeakPolarHBondContact OD1-CB 3.34Å; D1456-S1604 PolarHBondContact OD1-OG 3.03Å; D1456-S1604 PolarHBondContact OD2-N 2.93Å; D1456-S1604 PolarHBondContact OD2-OG 3.14Å; D1456-S1604 VanDerWaalsContact OD2-OG 3.04Å |
| 1457 | K | 87.5 | Confident | 84 | Confident | 111.4 Ų | 111.4 | 43.2 Ų | 43.2 | 48% | 0.484 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66 | -38.8 | 175.1 | -172 | 168.8 | -176.8 | 171.3 | 0 | 112 | L1452 P1453 F1454 W1455 L1460 L1461 | L1452-K1457 HydrophobicContact CB-CB 4.37Å; P1453-K1457 VanDerWaalsContact O-CB 3.32Å; P1453-K1457 WeakPolarHBondContact O-CB 3.35Å; P1453-K1457 PolarHBondContact O-N 3.14Å; F1454-K1457 PolarHBondContact O-N 3.13Å; W1455-K1457 VanDerWaalsContact C-N 3.28Å; W1455-K1457 PolarHBondContact O-N 3.15Å; K1457-L1460 PolarHBondContact O-N 2.87Å; K1457-L1461 HydrophobicContact CD-CD1 4.47Å; K1457-L1461 HydrophobicContact CG-CD1 3.81Å; K1457-L1461 HydrophobicContact CG-CG 4.39Å; K1457-L1461 WeakPolarHBondContact O-CB 3.39Å; K1457-L1461 WeakPolarHBondContact O-CD1 3.38Å; K1457-L1461 VanDerWaalsContact O-CG 3.23Å; K1457-L1461 WeakPolarHBondContact O-CG 3.37Å; K1457-L1461 PolarHBondContact O-N 3.02Å; K1457-L1461 VanDerWaalsContact O-N 3.12Å |
| 1458 | A | 85.2 | Confident | 83.9 | Confident | 41.6 Ų | 41.6 | 43.5 Ų | 43.5 | 34% | 0.344 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.2 | -47.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | F1454 W1455 D1456 L1460 L1461 F1462 | F1454-A1458 WeakPolarHBondContact O-CB 3.38Å; F1454-A1458 PolarHBondContact O-N 3.31Å; W1455-A1458 WeakPolarHBondContact O-CB 3.31Å; W1455-A1458 PolarHBondContact O-N 3.13Å; W1455-A1458 VanDerWaalsContact O-N 3.08Å; D1456-A1458 VanDerWaalsContact C-N 3.34Å; A1458-L1460 VanDerWaalsContact C-N 3.28Å; A1458-L1460 PolarHBondContact O-N 2.99Å; A1458-L1460 VanDerWaalsContact O-N 3.16Å; A1458-L1461 PolarHBondContact O-N 2.96Å; A1458-L1461 VanDerWaalsContact O-N 3.15Å; A1458-F1462 HydrophobicContact CB-CD2 4.37Å; A1458-F1462 PolarHBondContact O-N 3.06Å |
| 1459 | R | 87.3 | Confident | 83.8 | Confident | 22 Ų | 22 | 42.6 Ų | 42.6 | 8% | 0.083 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.4 | -29.6 | 174.5 | -137.5 | 173.1 | 53.1 | 147.5 | -5.1 | 113.5 | W1455 D1456 H1463 Y1507 W1567 C1569 P1573 F1602 | W1455-R1459 WeakPolarHBondContact O-CB 3.34Å; W1455-R1459 WeakPolarHBondContact O-CG 3.39Å; W1455-R1459 PolarHBondContact O-N 3.12Å; D1456-R1459 CarbonylContact O-C 3.59Å; D1456-R1459 PolarHBondContact O-N 3.21Å; D1456-R1459 IonicContact OD1-CZ 3.19Å; D1456-R1459 IonicContact OD1-NE 3.44Å; D1456-R1459 IonicContact OD1-NH1 3.39Å; D1456-R1459 PolarHBondContact OD1-NH1 2.82Å; D1456-R1459 VanDerWaalsContact OD1-NH1 3.07Å; D1456-R1459 IonicContact OD1-NH2 3.22Å; D1456-R1459 PolarHBondContact OD1-NH2 2.99Å; D1456-R1459 IonicContact OD2-NH2 2.67Å; R1459-H1463 PolarHBondContact O-CE1 2.97Å; R1459-Y1507 VanDerWaalsContact CG-OH 3.29Å; R1459-Y1507 WeakPolarHBondContact CG-OH 3.5Å; R1459-W1567 HydrophobicContact CG-CZ2 4.46Å; R1459-W1567 VanDerWaalsContact CZ-CG 3.48Å; R1459-W1567 VanDerWaalsContact NH1-CB 3.33Å; R1459-C1569 PolarHBondContact NH1-SG 3.35Å; R1459-C1569 VanDerWaalsContact NH1-SG 3.42Å; R1459-C1569 PolarHBondContact NH2-SG 3.29Å; R1459-P1573 PolarHBondContact NH1-O 3.11Å; R1459-P1573 VanDerWaalsContact NH2-CB 3.32Å; R1459-P1573 PolarHBondContact NH2-O 3.34Å; R1459-F1602 HydrophobicContact CB-CZ 4.17Å; R1459-F1602 HydrophobicContact CG-CE2 4.46Å; R1459-F1602 HydrophobicContact CG-CZ 3.86Å; R1459-F1602 PolarHBondContact NH1-O 3.32Å; R1459-F1602 PolarHBondContact NH2-O 3.15Å |
| 1460 | L | 88 | Confident | 83.5 | Confident | 6.2 Ų | 6.2 | 42 Ų | 42 | 3% | 0.032 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -77.1 | -34.8 | 175.7 | -179.4 | 63.4 | 0 | 0 | 0 | 112.4 | L1452 D1456 K1457 A1458 H1463 H1576 V1579 Y1599 F1602 | L1452-L1460 HydrophobicContact CD1-CD2 3.95Å; D1456-L1460 VanDerWaalsContact O-CB 3.29Å; D1456-L1460 WeakPolarHBondContact O-CB 3.38Å; D1456-L1460 PolarHBondContact O-N 3.01Å; K1457-L1460 PolarHBondContact O-N 2.87Å; A1458-L1460 VanDerWaalsContact C-N 3.28Å; A1458-L1460 PolarHBondContact O-N 2.99Å; A1458-L1460 VanDerWaalsContact O-N 3.16Å; L1460-H1463 PolarHBondContact O-NE2 3.13Å; L1460-H1576 HydrophobicContact CD1-CB 4.26Å; L1460-V1579 HydrophobicContact CD1-CB 4.14Å; L1460-V1579 HydrophobicContact CD1-CG1 4.25Å; L1460-V1579 HydrophobicContact CD1-CG2 4.06Å; L1460-V1579 HydrophobicContact CD2-CG1 4.44Å; L1460-Y1599 HydrophobicContact CD2-CD1 4.32Å; L1460-Y1599 HydrophobicContact CD2-CE1 3.68Å; L1460-F1602 HydrophobicContact CB-CE1 3.88Å; L1460-F1602 HydrophobicContact CB-CZ 4.16Å; L1460-F1602 HydrophobicContact CD1-CE1 4.29Å; L1460-F1602 HydrophobicContact CD1-CZ 4.42Å |
| 1461 | L | 89.5 | Confident | 83.5 | Confident | 25.6 Ų | 25.6 | 43.7 Ų | 43.7 | 13% | 0.134 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -94.4 | -34.9 | -169.5 | -72.1 | 175.8 | 0 | 0 | 0 | 114.3 | V1382 L1383 Y1385 K1457 A1458 | V1382-L1461 HydrophobicContact CG1-CD2 3.26Å; V1382-L1461 HydrophobicContact CG1-CG 4.48Å; L1383-L1461 WeakPolarHBondContact O-CD2 3.33Å; Y1385-L1461 PolarHBondContact N-O 3.31Å; K1457-L1461 HydrophobicContact CD-CD1 4.47Å; K1457-L1461 HydrophobicContact CG-CD1 3.81Å; K1457-L1461 HydrophobicContact CG-CG 4.39Å; K1457-L1461 WeakPolarHBondContact O-CB 3.39Å; K1457-L1461 WeakPolarHBondContact O-CD1 3.38Å; K1457-L1461 VanDerWaalsContact O-CG 3.23Å; K1457-L1461 WeakPolarHBondContact O-CG 3.37Å; K1457-L1461 PolarHBondContact O-N 3.02Å; K1457-L1461 VanDerWaalsContact O-N 3.12Å; A1458-L1461 PolarHBondContact O-N 2.96Å; A1458-L1461 VanDerWaalsContact O-N 3.15Å |
| 1462 | F | 87.6 | Confident | 83.5 | Confident | 100 Ų | 100 | 44 Ų | 44 | 44% | 0.439 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 116.1 | -166 | -63.4 | -64.7 | 0 | 0 | 0 | 110.7 | Y1385 Y1387 A1458 | Y1385-F1462 HydrophobicContact CD2-CD1 4.23Å; Y1385-F1462 AromaticContact CD2-CE1 3.85Å; Y1385-F1462 HydrophobicContact CD2-CE1 3.85Å; Y1385-F1462 HydrophobicContact CG-CE1 4.35Å; Y1387-F1462 HydrophobicContact CE1-CB 4.02Å; A1458-F1462 HydrophobicContact CB-CD2 4.37Å; A1458-F1462 PolarHBondContact O-N 3.06Å |
| 1463 | H | 87.1 | Confident | 83.4 | Confident | 4.8 Ų | 4.8 | 43.7 Ų | 43.7 | 2% | 0.022 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 132 | -175.7 | -53.6 | -76.5 | 0 | 0 | 0 | 109.8 | D1282 Y1385 F1386 Y1387 R1459 L1460 H1576 | D1282-H1463 HydrophobicContact CB-CB 4.24Å; Y1385-H1463 PolarHBondContact O-N 3.01Å; F1386-H1463 CarbonylContact C-O 3.52Å; F1386-H1463 VanDerWaalsContact CA-O 3.24Å; F1386-H1463 WeakPolarHBondContact CA-O 3.35Å; F1386-H1463 HydrophobicContact CD1-CB 3.56Å; F1386-H1463 HydrophobicContact CE1-CB 3.68Å; F1386-H1463 AromaticContact CE1-CD2 3.86Å; F1386-H1463 AromaticContact CE1-CG 3.87Å; F1386-H1463 HydrophobicContact CG-CB 4.41Å; F1386-H1463 AromaticContact CZ-CD2 3.95Å; Y1387-H1463 VanDerWaalsContact CD1-O 3.24Å; Y1387-H1463 WeakPolarHBondContact CD1-O 3.38Å; Y1387-H1463 WeakPolarHBondContact CE1-O 3.25Å; Y1387-H1463 PolarHBondContact N-O 3.05Å; R1459-H1463 PolarHBondContact O-CE1 2.97Å; L1460-H1463 PolarHBondContact O-NE2 3.13Å; H1463-H1576 AromaticContact CD2-CD2 3.96Å; H1463-H1576 AromaticContact CD2-CE1 3.95Å; H1463-H1576 AromaticContact CD2-NE2 3.88Å; H1463-H1576 AromaticContact CE1-CD2 3.33Å; H1463-H1576 PolarHBondContact CE1-CD2 2.88Å; H1463-H1576 VanDerWaalsContact CE1-CD2 3.48Å; H1463-H1576 AromaticContact CE1-CE1 3.8Å; H1463-H1576 AromaticContact CE1-CG 3.26Å; H1463-H1576 AromaticContact CE1-ND1 3.59Å; H1463-H1576 PolarHBondContact CE1-ND1 3.13Å; H1463-H1576 AromaticContact CE1-NE2 3.75Å; H1463-H1576 AromaticContact CG-NE2 3.82Å; H1463-H1576 AromaticContact ND1-CD2 3.49Å; H1463-H1576 PolarHBondContact ND1-CD2 3.27Å; H1463-H1576 AromaticContact ND1-CE1 3.86Å; H1463-H1576 AromaticContact ND1-CG 3.88Å; H1463-H1576 AromaticContact ND1-ND1 3.84Å; H1463-H1576 AromaticContact ND1-NE2 3.71Å; H1463-H1576 PolarHBondContact ND1-NE2 2.77Å; H1463-H1576 AromaticContact NE2-CD2 3.47Å; H1463-H1576 PolarHBondContact NE2-CD2 3.06Å; H1463-H1576 VanDerWaalsContact NE2-CD2 3.34Å; H1463-H1576 AromaticContact NE2-CE1 3.84Å; H1463-H1576 AromaticContact NE2-CG 3.67Å; H1463-H1576 AromaticContact NE2-ND1 3.58Å; H1463-H1576 PolarHBondContact NE2-ND1 3.33Å; H1463-H1576 AromaticContact NE2-NE2 3.63Å |
| 1464 | G | 83.9 | Confident | 83.4 | Confident | 0.2 Ų | 0.2 | 43.8 Ų | 43.8 | 0% | 0.002 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 153.8 | -167 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y1387 S1503 | Y1387-G1464 VanDerWaalsContact CE2-C 3.45Å; Y1387-G1464 WeakPolarHBondContact O-CA 3.37Å; G1464-S1503 PolarHBondContact N-OG 2.92Å; G1464-S1503 WeakPolarHBondContact O-CB 3.44Å; G1464-S1503 PolarHBondContact O-N 3.07Å; G1464-S1503 PolarHBondContact O-OG 3.18Å; G1464-S1503 VanDerWaalsContact O-OG 3.13Å |
| 1465 | R | 80.4 | Confident | 83.5 | Confident | 89 Ų | 89 | 39.7 Ų | 39.7 | 34% | 0.336 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 133.3 | 178.4 | -59.1 | 178.1 | -173.1 | 179.7 | 1.4 | 110.1 | Y1387 F1389 W1501 K1502 | Y1387-R1465 WeakPolarHBondContact CD2-O 3.46Å; Y1387-R1465 PolarHBondContact O-N 3.02Å; Y1387-R1465 VanDerWaalsContact O-N 3.12Å; F1389-R1465 PolarHBondContact N-O 3.08Å; R1465-W1501 CarbonylContact C-O 3.47Å; R1465-W1501 VanDerWaalsContact CA-O 3.25Å; R1465-W1501 WeakPolarHBondContact CA-O 3.38Å; R1465-K1502 HydrophobicContact CG-CG 4.42Å |
| 1466 | L | 79.4 | Confident | 83.4 | Confident | 41.2 Ų | 41.2 | 39.2 Ų | 39.2 | 22% | 0.216 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 125.9 | 176.7 | -148.4 | 100.5 | 0 | 0 | 0 | 108.4 | Y1387 F1389 L1414 F1499 E1500 W1501 | Y1387-L1466 HydrophobicContact CD2-CD1 4.41Å; Y1387-L1466 HydrophobicContact CD2-CD2 3.46Å; Y1387-L1466 VanDerWaalsContact CD2-CD2 3.46Å; Y1387-L1466 HydrophobicContact CD2-CG 4.21Å; Y1387-L1466 HydrophobicContact CE2-CB 4.23Å; Y1387-L1466 HydrophobicContact CE2-CD1 4.25Å; Y1387-L1466 HydrophobicContact CE2-CD2 3.25Å; Y1387-L1466 HydrophobicContact CE2-CG 3.55Å; Y1387-L1466 HydrophobicContact CG-CD2 4.45Å; F1389-L1466 HydrophobicContact CB-CD1 3.95Å; F1389-L1466 HydrophobicContact CB-CD2 4.17Å; F1389-L1466 HydrophobicContact CD2-CD1 3.82Å; F1389-L1466 HydrophobicContact CD2-CD2 3.41Å; F1389-L1466 VanDerWaalsContact CD2-CD2 3.41Å; F1389-L1466 HydrophobicContact CE2-CD1 4.49Å; F1389-L1466 HydrophobicContact CE2-CD2 4.22Å; F1389-L1466 HydrophobicContact CG-CD1 4.2Å; F1389-L1466 HydrophobicContact CG-CD2 4.2Å; L1414-L1466 HydrophobicContact CD1-CB 3.89Å; L1414-L1466 HydrophobicContact CD1-CD1 3.46Å; L1414-L1466 VanDerWaalsContact CD1-CD1 3.45Å; L1414-L1466 HydrophobicContact CD1-CD2 3.92Å; L1414-L1466 HydrophobicContact CD1-CG 3.58Å; L1414-L1466 VanDerWaalsContact CD1-CG 3.47Å; L1414-L1466 HydrophobicContact CD2-CD1 4.27Å; L1414-L1466 HydrophobicContact CG-CD1 4.13Å; L1414-L1466 HydrophobicContact CG-CG 4.37Å; L1466-F1499 HydrophobicContact CD2-CD1 3.78Å; L1466-F1499 HydrophobicContact CD2-CE1 3.87Å; L1466-F1499 VanDerWaalsContact CD2-CE1 3.45Å; L1466-E1500 CarbonylContact O-C 3.54Å; L1466-E1500 WeakPolarHBondContact O-CA 3.47Å; L1466-W1501 HydrophobicContact CB-CB 3.94Å; L1466-W1501 HydrophobicContact CB-CG 4.42Å; L1466-W1501 HydrophobicContact CD1-CB 4.19Å; L1466-W1501 HydrophobicContact CD1-CG 4.14Å; L1466-W1501 HydrophobicContact CD2-CB 4.18Å; L1466-W1501 HydrophobicContact CG-CB 4.17Å; L1466-W1501 HydrophobicContact CG-CG 4.33Å; L1466-W1501 PolarHBondContact N-O 3.04Å; L1466-W1501 PolarHBondContact O-N 3.17Å |
| 1467 | R | 75.8 | Confident | 83.2 | Confident | 71.6 Ų | 71.6 | 41.5 Ų | 41.5 | 27% | 0.27 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 122.6 | 165.5 | -74.2 | -178.6 | -179.5 | 169.2 | -10.6 | 109.1 | F1389 S1390 F1412 I1413 L1414 F1499 E1500 | F1389-R1467 PolarHBondContact O-N 3.05Å; S1390-R1467 WeakPolarHBondContact O-CD 3.32Å; S1390-R1467 PolarHBondContact O-NH1 3.03Å; S1390-R1467 VanDerWaalsContact O-NH1 3.11Å; F1412-R1467 HydrophobicContact CD1-CB 4.16Å; F1412-R1467 WeakPolarHBondContact O-CB 3.34Å; I1413-R1467 HydrophobicContact CG2-CB 3.69Å; L1414-R1467 VanDerWaalsContact CB-O 3.29Å; L1414-R1467 WeakPolarHBondContact CB-O 3.4Å; L1414-R1467 WeakPolarHBondContact CD1-O 3.31Å; L1414-R1467 WeakPolarHBondContact CG-O 3.21Å; L1414-R1467 PolarHBondContact N-O 3.15Å; L1414-R1467 VanDerWaalsContact N-O 3.16Å; R1467-F1499 CarbonylContact C-O 3.45Å; R1467-F1499 VanDerWaalsContact CA-O 3.29Å; R1467-F1499 WeakPolarHBondContact CA-O 3.35Å; R1467-E1500 HydrophobicContact CG-CB 4.39Å; R1467-E1500 HydrophobicContact CG-CG 4Å; R1467-E1500 IonicContact CZ-OE1 3.7Å; R1467-E1500 VanDerWaalsContact CZ-OE1 3.25Å; R1467-E1500 IonicContact NE-OE1 3.32Å; R1467-E1500 PolarHBondContact NE-OE1 3.07Å; R1467-E1500 IonicContact NH2-OE1 3.17Å; R1467-E1500 PolarHBondContact NH2-OE1 3.08Å |
| 1468 | L | 77.8 | Confident | 83 | Confident | 13.8 Ų | 13.8 | 36.2 Ų | 36.2 | 7% | 0.072 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 120.4 | 179.2 | 167.8 | 81 | 0 | 0 | 0 | 109.8 | L1414 F1416 F1419 L1497 L1498 F1499 | L1414-L1468 HydrophobicContact CB-CB 4.2Å; L1414-L1468 HydrophobicContact CB-CD1 3.82Å; L1414-L1468 HydrophobicContact CB-CG 4.48Å; L1414-L1468 HydrophobicContact CD1-CB 4.19Å; L1414-L1468 HydrophobicContact CD1-CD1 4.37Å; L1414-L1468 CarbonylContact O-C 3.52Å; L1414-L1468 WeakPolarHBondContact O-CA 3.36Å; F1416-L1468 HydrophobicContact CB-CD1 4.29Å; F1416-L1468 HydrophobicContact CD1-CD1 4.41Å; F1416-L1468 HydrophobicContact CD2-CD1 3.39Å; F1416-L1468 HydrophobicContact CD2-CD2 4.23Å; F1416-L1468 HydrophobicContact CD2-CG 4.19Å; F1416-L1468 HydrophobicContact CE2-CD1 3.47Å; F1416-L1468 VanDerWaalsContact CE2-CD1 3.45Å; F1416-L1468 HydrophobicContact CE2-CD2 4.23Å; F1416-L1468 HydrophobicContact CE2-CG 4.19Å; F1416-L1468 HydrophobicContact CG-CD1 3.9Å; F1416-L1468 HydrophobicContact CZ-CD1 4.21Å; F1419-L1468 HydrophobicContact CD1-CD1 4.42Å; F1419-L1468 HydrophobicContact CD1-CD2 4.12Å; F1419-L1468 HydrophobicContact CE1-CD1 4.34Å; F1419-L1468 HydrophobicContact CE1-CD2 4.28Å; L1468-L1497 HydrophobicContact CD2-CD2 4.18Å; L1468-L1498 CarbonylContact O-C 3.55Å; L1468-L1498 WeakPolarHBondContact O-CA 3.37Å; L1468-F1499 HydrophobicContact CB-CB 4.06Å; L1468-F1499 HydrophobicContact CB-CD1 3.98Å; L1468-F1499 HydrophobicContact CB-CG 4.4Å; L1468-F1499 HydrophobicContact CD2-CB 4.35Å; L1468-F1499 HydrophobicContact CD2-CD1 4.42Å; L1468-F1499 HydrophobicContact CG-CB 4.4Å; L1468-F1499 PolarHBondContact N-O 3.12Å; L1468-F1499 PolarHBondContact O-N 3.05Å |
| 1469 | L | 78.4 | Confident | 82.6 | Confident | 48 Ų | 48 | 34.3 Ų | 34.3 | 25% | 0.251 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 127.3 | 166.7 | -176.2 | 86 | 0 | 0 | 0 | 108.1 | F1412 I1413 L1414 E1415 F1416 L1497 | F1412-L1469 HydrophobicContact CB-CB 3.81Å; F1412-L1469 HydrophobicContact CB-CD2 4.4Å; F1412-L1469 HydrophobicContact CD1-CB 4.49Å; F1412-L1469 HydrophobicContact CD2-CB 4.21Å; F1412-L1469 HydrophobicContact CD2-CD1 4.01Å; F1412-L1469 HydrophobicContact CD2-CD2 3.93Å; F1412-L1469 HydrophobicContact CD2-CG 4.33Å; F1412-L1469 HydrophobicContact CE2-CD1 4.23Å; F1412-L1469 HydrophobicContact CE2-CD2 4.14Å; F1412-L1469 HydrophobicContact CG-CB 4.08Å; F1412-L1469 HydrophobicContact CG-CD1 4.5Å; F1412-L1469 HydrophobicContact CG-CD2 4.06Å; I1413-L1469 HydrophobicContact CB-CB 4.34Å; I1413-L1469 HydrophobicContact CD1-CB 3.6Å; I1413-L1469 HydrophobicContact CD1-CD1 4.45Å; I1413-L1469 HydrophobicContact CD1-CD2 3.71Å; I1413-L1469 HydrophobicContact CD1-CG 4.21Å; I1413-L1469 HydrophobicContact CG2-CB 3.73Å; I1413-L1469 VanDerWaalsContact CG2-N 3.31Å; L1414-L1469 PolarHBondContact O-N 3.17Å; E1415-L1469 WeakPolarHBondContact CA-O 3.32Å; E1415-L1469 HydrophobicContact CG-CB 4.43Å; E1415-L1469 HydrophobicContact CG-CD2 4.47Å; F1416-L1469 PolarHBondContact N-O 3.14Å; F1416-L1469 VanDerWaalsContact N-O 3.08Å; L1469-L1497 CarbonylContact C-O 3.56Å; L1469-L1497 VanDerWaalsContact CA-O 3.28Å; L1469-L1497 WeakPolarHBondContact CA-O 3.36Å |
| 1470 | S | 79.6 | Confident | 82.1 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 131.5 | 172.4 | -172.1 | 0 | 0 | 0 | 0 | 112.8 | F1416 K1472 K1496 L1497 | F1416-S1470 CarbonylContact O-C 3.56Å; F1416-S1470 WeakPolarHBondContact O-CA 3.35Å; F1416-S1470 VanDerWaalsContact O-CB 3.29Å; F1416-S1470 WeakPolarHBondContact O-CB 3.33Å; F1416-S1470 PolarHBondContact O-OG 2.98Å; S1470-K1472 VanDerWaalsContact C-N 3.28Å; S1470-K1472 PolarHBondContact O-N 3.1Å; S1470-K1472 PolarHBondContact OG-N 3.23Å; S1470-K1472 PolarHBondContact OG-O 3.09Å; S1470-K1496 CarbonylContact O-C 3.51Å; S1470-K1496 VanDerWaalsContact O-C 3.27Å; S1470-K1496 VanDerWaalsContact O-CA 3.29Å; S1470-K1496 WeakPolarHBondContact O-CA 3.33Å; S1470-K1496 PolarHBondContact O-N 2.96Å; S1470-L1497 PolarHBondContact N-O 3.21Å; S1470-L1497 WeakPolarHBondContact O-CB 3.22Å; S1470-L1497 PolarHBondContact O-N 2.97Å |
| 1471 | N | 81.4 | Confident | 81.7 | Confident | 91 Ų | 91 | 38.6 Ų | 38.6 | 49% | 0.487 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | -32.7 | 177 | -65.6 | -23.8 | 0 | 0 | 0 | 111.2 | F1416 K1417 E1495 K1496 | F1416-N1471 PolarHBondContact O-N 3.12Å; F1416-N1471 VanDerWaalsContact O-N 3.12Å; K1417-N1471 VanDerWaalsContact O-CB 3.3Å; K1417-N1471 WeakPolarHBondContact O-CB 3.32Å; K1417-N1471 PolarHBondContact O-N 2.8Å; N1471-E1495 CarbonylContact O-C 3.54Å; N1471-E1495 WeakPolarHBondContact O-CA 3.33Å; N1471-K1496 PolarHBondContact O-N 3.05Å |
| 1472 | K | 82.7 | Confident | 81.4 | Confident | 88.4 Ų | 88.4 | 40.8 Ų | 40.8 | 38% | 0.384 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 111.6 | 173.9 | -168 | 176 | -173.7 | 143.9 | 0 | 111.8 | K1417 T1418 F1419 S1470 V1474 T1493 W1494 E1495 | K1417-K1472 PolarHBondContact O-N 2.92Å; K1417-K1472 VanDerWaalsContact O-N 3.12Å; T1418-K1472 CarbonylContact C-O 3.55Å; T1418-K1472 WeakPolarHBondContact CA-O 3.37Å; T1418-K1472 HydrophobicContact CG2-CB 4.25Å; F1419-K1472 PolarHBondContact N-O 3.06Å; S1470-K1472 VanDerWaalsContact C-N 3.28Å; S1470-K1472 PolarHBondContact O-N 3.1Å; S1470-K1472 PolarHBondContact OG-N 3.23Å; S1470-K1472 PolarHBondContact OG-O 3.09Å; K1472-V1474 HydrophobicContact CG-CG2 4.23Å; K1472-T1493 HydrophobicContact CG-CG2 4.29Å; K1472-W1494 CarbonylContact C-O 3.55Å; K1472-W1494 VanDerWaalsContact CA-O 3.29Å; K1472-W1494 WeakPolarHBondContact CA-O 3.35Å; K1472-E1495 IonicContact NZ-OE1 3.61Å; K1472-E1495 PolarHBondContact NZ-OE1 3.11Å |
| 1473 | L | 82.3 | Confident | 81.1 | Confident | 10.2 Ų | 10.2 | 37.1 Ų | 37.1 | 5% | 0.053 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 133.6 | 167.7 | 177.4 | 62.7 | 0 | 0 | 0 | 109.6 | F1419 L1475 T1493 W1494 L1497 | F1419-L1473 HydrophobicContact CB-CD1 3.87Å; F1419-L1473 HydrophobicContact CD1-CD1 3.26Å; F1419-L1473 VanDerWaalsContact CD1-CD1 3.41Å; F1419-L1473 HydrophobicContact CD1-CD2 3.8Å; F1419-L1473 HydrophobicContact CD1-CG 4.2Å; F1419-L1473 HydrophobicContact CD2-CD1 4.36Å; F1419-L1473 HydrophobicContact CE1-CD1 3.79Å; F1419-L1473 HydrophobicContact CE1-CD2 4.04Å; F1419-L1473 HydrophobicContact CG-CD1 3.58Å; F1419-L1473 HydrophobicContact CZ-CD1 4.42Å; F1419-L1473 CarbonylContact O-C 3.42Å; F1419-L1473 VanDerWaalsContact O-CA 3.29Å; F1419-L1473 WeakPolarHBondContact O-CA 3.32Å; F1419-L1473 WeakPolarHBondContact O-CD1 3.39Å; L1473-L1475 HydrophobicContact CD1-CD2 3.92Å; L1473-L1475 HydrophobicContact CD1-CG 4.39Å; L1473-L1475 HydrophobicContact CD2-CD1 4.25Å; L1473-L1475 HydrophobicContact CD2-CD2 4.29Å; L1473-L1475 HydrophobicContact CD2-CG 4.16Å; L1473-L1475 HydrophobicContact CG-CD2 4.22Å; L1473-L1475 HydrophobicContact CG-CG 4.31Å; L1473-T1493 CarbonylContact O-C 3.58Å; L1473-T1493 VanDerWaalsContact O-CA 3.3Å; L1473-T1493 WeakPolarHBondContact O-CA 3.36Å; L1473-W1494 HydrophobicContact CB-CB 4.28Å; L1473-W1494 HydrophobicContact CB-CD2 4.49Å; L1473-W1494 HydrophobicContact CB-CE3 3.89Å; L1473-W1494 HydrophobicContact CB-CZ3 4.44Å; L1473-W1494 HydrophobicContact CD2-CD2 4.17Å; L1473-W1494 HydrophobicContact CD2-CE3 3.56Å; L1473-W1494 VanDerWaalsContact CD2-CE3 3.48Å; L1473-W1494 HydrophobicContact CD2-CH2 4.18Å; L1473-W1494 HydrophobicContact CD2-CZ3 3.64Å; L1473-W1494 HydrophobicContact CG-CE3 3.62Å; L1473-W1494 HydrophobicContact CG-CZ3 3.91Å; L1473-W1494 PolarHBondContact N-O 3.16Å; L1473-W1494 PolarHBondContact O-N 3.19Å; L1473-L1497 HydrophobicContact CB-CD2 3.81Å; L1473-L1497 HydrophobicContact CD2-CD2 3.36Å; L1473-L1497 VanDerWaalsContact CD2-CD2 3.41Å; L1473-L1497 HydrophobicContact CG-CD2 4.15Å |
| 1474 | V | 83.8 | Confident | 80.9 | Confident | 15 Ų | 15 | 40.9 Ų | 40.9 | 9% | 0.091 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 111.1 | 171.6 | -176.2 | 0 | 0 | 0 | 0 | 109.3 | F1419 R1420 W1421 K1472 E1491 W1492 T1493 | F1419-V1474 PolarHBondContact O-N 3.07Å; R1420-V1474 CarbonylContact C-O 3.56Å; R1420-V1474 VanDerWaalsContact CA-O 3.3Å; R1420-V1474 WeakPolarHBondContact CA-O 3.4Å; R1420-V1474 HydrophobicContact CB-CB 4.37Å; R1420-V1474 HydrophobicContact CG-CB 4.25Å; R1420-V1474 HydrophobicContact CG-CG1 4.33Å; W1421-V1474 PolarHBondContact N-O 3.15Å; K1472-V1474 HydrophobicContact CG-CG2 4.23Å; V1474-E1491 HydrophobicContact CG1-CB 4.33Å; V1474-E1491 HydrophobicContact CG1-CG 4.41Å; V1474-W1492 CarbonylContact C-O 3.53Å; V1474-W1492 VanDerWaalsContact CA-O 3.28Å; V1474-W1492 WeakPolarHBondContact CA-O 3.33Å; V1474-T1493 HydrophobicContact CB-CG2 4.41Å; V1474-T1493 HydrophobicContact CG1-CG2 4.04Å; V1474-T1493 HydrophobicContact CG2-CG2 4.02Å |
| 1475 | L | 82.8 | Confident | 80.6 | Confident | 40.2 Ų | 40.2 | 42.5 Ų | 42.5 | 21% | 0.21 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 117.3 | 168.7 | -58.4 | -173 | 0 | 0 | 0 | 108.8 | W1421 L1473 E1491 W1492 W1494 | W1421-L1475 HydrophobicContact CB-CD2 3.81Å; W1421-L1475 HydrophobicContact CD2-CD2 4.28Å; W1421-L1475 HydrophobicContact CE3-CD1 4.42Å; W1421-L1475 HydrophobicContact CE3-CD2 3.76Å; W1421-L1475 HydrophobicContact CG-CD2 4.26Å; W1421-L1475 HydrophobicContact CZ3-CD2 4.45Å; W1421-L1475 CarbonylContact O-C 3.5Å; W1421-L1475 WeakPolarHBondContact O-CA 3.38Å; L1473-L1475 HydrophobicContact CD1-CD2 3.92Å; L1473-L1475 HydrophobicContact CD1-CG 4.39Å; L1473-L1475 HydrophobicContact CD2-CD1 4.25Å; L1473-L1475 HydrophobicContact CD2-CD2 4.29Å; L1473-L1475 HydrophobicContact CD2-CG 4.16Å; L1473-L1475 HydrophobicContact CG-CD2 4.22Å; L1473-L1475 HydrophobicContact CG-CG 4.31Å; L1475-E1491 CarbonylContact O-C 3.42Å; L1475-E1491 WeakPolarHBondContact O-CA 3.37Å; L1475-W1492 HydrophobicContact CB-CB 4.28Å; L1475-W1492 HydrophobicContact CB-CE3 4.28Å; L1475-W1492 HydrophobicContact CD1-CE3 4.2Å; L1475-W1492 PolarHBondContact N-O 2.9Å; L1475-W1492 PolarHBondContact O-N 3.14Å; L1475-W1494 HydrophobicContact CB-CH2 4.23Å; L1475-W1494 HydrophobicContact CB-CZ3 3.94Å; L1475-W1494 HydrophobicContact CD1-CH2 3.6Å; L1475-W1494 HydrophobicContact CD1-CZ2 4.08Å; L1475-W1494 HydrophobicContact CD1-CZ3 3.88Å; L1475-W1494 HydrophobicContact CG-CH2 3.91Å; L1475-W1494 HydrophobicContact CG-CZ3 3.69Å; L1475-W1494 VanDerWaalsContact CG-CZ3 3.46Å |
| 1476 | A | 83.8 | Confident | 80.2 | Confident | 3.4 Ų | 3.4 | 40.5 Ų | 40.5 | 3% | 0.028 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 119.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | R1420 W1421 S1422 Y1423 L1490 E1491 | R1420-A1476 VanDerWaalsContact NH2-CB 3.34Å; W1421-A1476 PolarHBondContact O-N 3.23Å; S1422-A1476 CarbonylContact C-O 3.57Å; S1422-A1476 VanDerWaalsContact CA-O 3.31Å; S1422-A1476 WeakPolarHBondContact CA-O 3.35Å; Y1423-A1476 PolarHBondContact N-O 3.06Å; A1476-L1490 CarbonylContact C-O 3.52Å; A1476-L1490 WeakPolarHBondContact CA-O 3.25Å; A1476-E1491 HydrophobicContact CB-CG 4.16Å |
| 1477 | L | 82.6 | Confident | 79.6 | Confident | 47 Ų | 47 | 39.6 Ų | 39.6 | 25% | 0.246 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 114.8 | 175.2 | -167.6 | 83.1 | 0 | 0 | 0 | 109.9 | Y1423 Q1489 L1490 L1640 V1644 | Y1423-L1477 HydrophobicContact CD1-CD1 3.97Å; Y1423-L1477 HydrophobicContact CD1-CD2 3.97Å; Y1423-L1477 HydrophobicContact CE1-CD1 4.47Å; Y1423-L1477 CarbonylContact O-C 3.52Å; Y1423-L1477 VanDerWaalsContact O-CA 3.28Å; Y1423-L1477 WeakPolarHBondContact O-CA 3.39Å; Y1423-L1477 WeakPolarHBondContact O-CD1 3.35Å; L1477-Q1489 CarbonylContact O-C 3.54Å; L1477-Q1489 WeakPolarHBondContact O-CA 3.44Å; L1477-L1490 HydrophobicContact CB-CB 4.21Å; L1477-L1490 HydrophobicContact CD2-CD2 4.42Å; L1477-L1490 PolarHBondContact N-O 3.08Å; L1477-L1490 PolarHBondContact O-N 2.95Å; L1477-L1640 HydrophobicContact CD2-CD1 3.92Å; L1477-L1640 HydrophobicContact CG-CD1 4.18Å; L1477-V1644 HydrophobicContact CD2-CG2 4.05Å |
| 1478 | L | 83.1 | Confident | 79.4 | Confident | 1.2 Ų | 1.2 | 37 Ų | 37 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 129.5 | 177.6 | -76.2 | 104.2 | 0 | 0 | 0 | 110.6 | L1317 Y1423 W1427 S1480 N1485 Q1489 | L1317-L1478 HydrophobicContact CD1-CD1 4.16Å; L1317-L1478 HydrophobicContact CD1-CD2 3.97Å; L1317-L1478 HydrophobicContact CD1-CG 4.16Å; Y1423-L1478 VanDerWaalsContact O-CD1 3.26Å; Y1423-L1478 WeakPolarHBondContact O-CD1 3.17Å; Y1423-L1478 PolarHBondContact O-N 3.17Å; W1427-L1478 HydrophobicContact CD2-CD1 3.92Å; W1427-L1478 VanDerWaalsContact CE2-CD1 3.48Å; W1427-L1478 HydrophobicContact CE3-CD1 4.32Å; W1427-L1478 HydrophobicContact CG-CD1 4.43Å; W1427-L1478 HydrophobicContact CH2-CD1 4.17Å; W1427-L1478 HydrophobicContact CH2-CD2 4.18Å; W1427-L1478 HydrophobicContact CZ2-CD1 3.89Å; W1427-L1478 HydrophobicContact CZ2-CD2 4.23Å; W1427-L1478 HydrophobicContact CZ3-CB 4.35Å; W1427-L1478 HydrophobicContact CZ3-CD1 4.28Å; W1427-L1478 HydrophobicContact CZ3-CD2 3.95Å; W1427-L1478 HydrophobicContact CZ3-CG 4.35Å; L1478-S1480 VanDerWaalsContact C-N 3.28Å; L1478-N1485 VanDerWaalsContact CD2-O 3.26Å; L1478-N1485 WeakPolarHBondContact CD2-O 3.37Å; L1478-Q1489 HydrophobicContact CD1-CB 4Å; L1478-Q1489 HydrophobicContact CG-CB 4.49Å; L1478-Q1489 HydrophobicContact CG-CG 4.49Å |
| 1479 | A | 76.7 | Confident | 79.3 | Confident | 2.2 Ų | 2.2 | 36.5 Ų | 36.5 | 2% | 0.018 | 20% | 0.196 | C | C | . | . | trans | -93.1 | -3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | E1488 W1636 L1640 T1643 | A1479-E1488 HydrophobicContact CB-CB 4.35Å; A1479-E1488 WeakPolarHBondContact CB-O 3.48Å; A1479-E1488 PolarHBondContact N-O 3.02Å; A1479-W1636 HydrophobicContact CB-CZ2 4.18Å; A1479-L1640 HydrophobicContact CB-CB 4.28Å; A1479-L1640 HydrophobicContact CB-CD1 3.77Å; A1479-T1643 WeakPolarHBondContact O-CB 3.13Å; A1479-T1643 WeakPolarHBondContact O-CG2 3.4Å; A1479-T1643 PolarHBondContact O-OG1 3.38Å | ||
| 1480 | S | 78.7 | Confident | 79.2 | Confident | 13 Ų | 13 | 35.2 Ų | 35.2 | 9% | 0.091 | 19% | 0.189 | C | C | . | . | trans | -95.7 | 149.8 | -178.2 | -179.8 | 0 | 0 | 0 | 0 | 112.5 | C1426 L1478 D1482 N1485 | C1426-S1480 WeakPolarHBondContact CB-O 3.49Å; L1478-S1480 VanDerWaalsContact C-N 3.28Å; S1480-D1482 VanDerWaalsContact C-N 3.34Å; S1480-D1482 PolarHBondContact OG-N 3.07Å; S1480-D1482 PolarHBondContact OG-O 3.1Å; S1480-N1485 VanDerWaalsContact CB-ND2 3.31Å; S1480-N1485 WeakPolarHBondContact CB-ND2 3.31Å; S1480-N1485 WeakPolarHBondContact OG-CB 3.36Å; S1480-N1485 PolarHBondContact OG-ND2 2.96Å; S1480-N1485 VanDerWaalsContact OG-ND2 3.16Å | ||
| 1481 | S | 79 | Confident | 79.1 | Confident | 103.8 Ų | 103.8 | 35.3 Ų | 35.3 | 73% | 0.726 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -79.4 | -19.6 | 167.6 | 55.2 | 0 | 0 | 0 | 0 | 113.2 | C1426 | C1426-S1481 VanDerWaalsContact CB-O 3.25Å; C1426-S1481 WeakPolarHBondContact CB-O 3.22Å |
| 1482 | D | 81.8 | Confident | 78.6 | Confident | 72.4 Ų | 72.4 | 35.1 Ų | 35.1 | 39% | 0.387 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -85.9 | 122.2 | 174.5 | 174.4 | 16.1 | 0 | 0 | 0 | 110.6 | S1480 Y1484 N1485 | S1480-D1482 VanDerWaalsContact C-N 3.34Å; S1480-D1482 PolarHBondContact OG-N 3.07Å; S1480-D1482 PolarHBondContact OG-O 3.1Å; D1482-Y1484 VanDerWaalsContact C-N 3.29Å; D1482-Y1484 PolarHBondContact O-N 3.09Å; D1482-Y1484 WeakPolarHBondContact OD1-CB 3.37Å; D1482-Y1484 WeakPolarHBondContact OD1-CD2 3.14Å; D1482-Y1484 PolarHBondContact OD1-N 2.95Å; D1482-N1485 HydrophobicContact CB-CB 4.17Å; D1482-N1485 WeakPolarHBondContact O-CB 3.21Å; D1482-N1485 PolarHBondContact O-N 2.89Å; D1482-N1485 WeakPolarHBondContact OD2-CB 3.49Å; D1482-N1485 PolarHBondContact OD2-N 3.44Å |
| 1483 | P | 82.7 | Confident | 78.2 | Confident | 22.8 Ų | 22.8 | 31.5 Ų | 31.5 | 15% | 0.148 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -14.9 | 178.2 | 32.3 | -39.1 | 0 | 0 | 0 | 114.9 | Y1315 C1426 W1427 | Y1315-P1483 HydrophobicContact CD1-CB 4.05Å; Y1315-P1483 HydrophobicContact CD1-CG 4.38Å; Y1315-P1483 HydrophobicContact CD2-CB 4.48Å; Y1315-P1483 HydrophobicContact CE1-CB 3.67Å; Y1315-P1483 HydrophobicContact CE1-CG 3.77Å; Y1315-P1483 HydrophobicContact CE2-CB 4.16Å; Y1315-P1483 HydrophobicContact CG-CB 4.45Å; C1426-P1483 HydrophobicContact CB-CB 4.29Å; C1426-P1483 HydrophobicContact CB-CG 4.42Å; W1427-P1483 VanDerWaalsContact CD1-CB 3.49Å; W1427-P1483 PolarHBondContact NE1-O 2.81Å |
| 1484 | Y | 82.8 | Confident | 77.6 | Confident | 84.6 Ų | 84.6 | 31.7 Ų | 31.7 | 33% | 0.332 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -10.6 | 176 | -64.5 | -79.5 | 0 | 0 | 0 | 113.1 | R1179 D1314 Y1315 P1316 D1482 D1486 | R1179-Y1484 VanDerWaalsContact CZ-CZ 3.4Å; R1179-Y1484 VanDerWaalsContact CZ-OH 3.3Å; R1179-Y1484 PolarHBondContact NE-OH 2.82Å; R1179-Y1484 VanDerWaalsContact NE-OH 3.14Å; R1179-Y1484 PolarHBondContact NH2-OH 2.87Å; D1314-Y1484 HydrophobicContact CB-CE1 4.45Å; D1314-Y1484 VanDerWaalsContact CG-CE1 3.47Å; D1314-Y1484 VanDerWaalsContact CG-OH 3.24Å; D1314-Y1484 PolarHBondContact OD1-OH 3.09Å; D1314-Y1484 VanDerWaalsContact OD2-CE1 3.3Å; D1314-Y1484 WeakPolarHBondContact OD2-CE1 3.41Å; D1314-Y1484 PolarHBondContact OD2-OH 2.86Å; Y1315-Y1484 HydrophobicContact CD1-CD1 4.21Å; Y1315-Y1484 AromaticContact CD1-CE1 3.78Å; Y1315-Y1484 HydrophobicContact CD1-CE1 3.78Å; Y1315-Y1484 HydrophobicContact CD1-CE2 4.31Å; Y1315-Y1484 AromaticContact CD1-CZ 3.83Å; Y1315-Y1484 HydrophobicContact CE1-CE1 4.22Å; Y1315-Y1484 AromaticContact CE1-CE2 3.95Å; Y1315-Y1484 HydrophobicContact CE1-CE2 4.03Å; Y1315-Y1484 AromaticContact CE1-CZ 3.78Å; P1316-Y1484 VanDerWaalsContact CG-O 3.32Å; P1316-Y1484 WeakPolarHBondContact CG-O 3.33Å; D1482-Y1484 VanDerWaalsContact C-N 3.29Å; D1482-Y1484 PolarHBondContact O-N 3.09Å; D1482-Y1484 WeakPolarHBondContact OD1-CB 3.37Å; D1482-Y1484 WeakPolarHBondContact OD1-CD2 3.14Å; D1482-Y1484 PolarHBondContact OD1-N 2.95Å; Y1484-D1486 PolarHBondContact O-N 3.11Å |
| 1485 | N | 76.8 | Confident | 77 | Confident | 33.6 Ų | 33.6 | 35.1 Ų | 35.1 | 18% | 0.18 | 18% | 0.183 | C | C | . | . | trans | -79 | 99.9 | 177.8 | -173.4 | -1 | 0 | 0 | 0 | 110.9 | L1478 S1480 D1482 T1487 E1488 | L1478-N1485 VanDerWaalsContact CD2-O 3.26Å; L1478-N1485 WeakPolarHBondContact CD2-O 3.37Å; S1480-N1485 VanDerWaalsContact CB-ND2 3.31Å; S1480-N1485 WeakPolarHBondContact CB-ND2 3.31Å; S1480-N1485 WeakPolarHBondContact OG-CB 3.36Å; S1480-N1485 PolarHBondContact OG-ND2 2.96Å; S1480-N1485 VanDerWaalsContact OG-ND2 3.16Å; D1482-N1485 HydrophobicContact CB-CB 4.17Å; D1482-N1485 WeakPolarHBondContact O-CB 3.21Å; D1482-N1485 PolarHBondContact O-N 2.89Å; D1482-N1485 WeakPolarHBondContact OD2-CB 3.49Å; D1482-N1485 PolarHBondContact OD2-N 3.44Å; N1485-T1487 VanDerWaalsContact C-N 3.3Å; N1485-T1487 PolarHBondContact ND2-OG1 3Å; N1485-T1487 PolarHBondContact O-N 3.16Å; N1485-T1487 WeakPolarHBondContact OD1-CA 3.42Å; N1485-T1487 VanDerWaalsContact OD1-CB 3.29Å; N1485-T1487 WeakPolarHBondContact OD1-CB 3.41Å; N1485-T1487 WeakPolarHBondContact OD1-CG2 3.42Å; N1485-T1487 PolarHBondContact OD1-N 3.06Å; N1485-T1487 VanDerWaalsContact OD1-N 3.09Å; N1485-T1487 PolarHBondContact OD1-OG1 2.89Å; N1485-E1488 PolarHBondContact OD1-N 2.74Å | ||
| 1486 | D | 71.5 | Confident | 76.4 | Confident | 47 Ų | 47 | 39.5 Ų | 39.5 | 25% | 0.251 | 20% | 0.2 | S | C | . | . | trans | -84.5 | -3.1 | 172.7 | 76.8 | -31.1 | 0 | 0 | 0 | 113.3 | P1316 L1317 Y1484 E1488 Q1489 R1523 | P1316-D1486 HydrophobicContact CB-CB 4.32Å; P1316-D1486 HydrophobicContact CG-CB 4.16Å; L1317-D1486 HydrophobicContact CD1-CB 4.24Å; L1317-D1486 HydrophobicContact CD2-CB 4.25Å; L1317-D1486 HydrophobicContact CG-CB 4.04Å; Y1484-D1486 PolarHBondContact O-N 3.11Å; D1486-E1488 PolarHBondContact O-N 3.29Å; D1486-Q1489 PolarHBondContact O-NE2 2.99Å; D1486-R1523 IonicContact OD2-CZ 2.62Å; D1486-R1523 IonicContact OD2-NH1 3.73Å; D1486-R1523 PolarHBondContact OD2-NH1 2.85Å | ||
| 1487 | T | 67.7 | Low | 75.7 | Confident | 22 Ų | 22 | 39.4 Ų | 39.4 | 14% | 0.135 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -79 | -44.4 | -172 | 73.8 | 0 | 0 | 0 | 0 | 112.4 | N1485 Q1489 R1521 K1522 R1523 A1525 | N1485-T1487 VanDerWaalsContact C-N 3.3Å; N1485-T1487 PolarHBondContact ND2-OG1 3Å; N1485-T1487 PolarHBondContact O-N 3.16Å; N1485-T1487 WeakPolarHBondContact OD1-CA 3.42Å; N1485-T1487 VanDerWaalsContact OD1-CB 3.29Å; N1485-T1487 WeakPolarHBondContact OD1-CB 3.41Å; N1485-T1487 WeakPolarHBondContact OD1-CG2 3.42Å; N1485-T1487 PolarHBondContact OD1-N 3.06Å; N1485-T1487 VanDerWaalsContact OD1-N 3.09Å; N1485-T1487 PolarHBondContact OD1-OG1 2.89Å; T1487-Q1489 PolarHBondContact O-N 2.88Å; T1487-R1521 CarbonylContact O-C 3.46Å; T1487-R1521 VanDerWaalsContact O-C 3.28Å; T1487-K1522 CarbonylContact O-C 3.57Å; T1487-K1522 VanDerWaalsContact O-CA 3.25Å; T1487-K1522 WeakPolarHBondContact O-CA 3.37Å; T1487-K1522 WeakPolarHBondContact O-CB 3.42Å; T1487-K1522 WeakPolarHBondContact O-CD 3.28Å; T1487-K1522 WeakPolarHBondContact O-CE 3.45Å; T1487-K1522 WeakPolarHBondContact O-CG 3.45Å; T1487-K1522 WeakPolarHBondContact OG1-CE 3.37Å; T1487-K1522 PolarHBondContact OG1-NZ 3.1Å; T1487-R1523 WeakPolarHBondContact CA-O 3.36Å; T1487-R1523 VanDerWaalsContact CB-O 3.24Å; T1487-R1523 WeakPolarHBondContact CB-O 3.35Å; T1487-R1523 HydrophobicContact CG2-CB 4.11Å; T1487-R1523 WeakPolarHBondContact CG2-O 3.27Å; T1487-R1523 PolarHBondContact O-N 3.02Å; T1487-R1523 VanDerWaalsContact O-N 3.08Å; T1487-A1525 HydrophobicContact CG2-CB 3.63Å |
| 1488 | E | 72.2 | Confident | 75.2 | Confident | 17.4 Ų | 17.4 | 38.9 Ų | 38.9 | 8% | 0.081 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 93.9 | -173.4 | -64.6 | -170.8 | 176.1 | 0 | 0 | 112.2 | A1479 N1485 D1486 R1521 K1522 T1546 R1639 | A1479-E1488 HydrophobicContact CB-CB 4.35Å; A1479-E1488 WeakPolarHBondContact CB-O 3.48Å; A1479-E1488 PolarHBondContact N-O 3.02Å; N1485-E1488 PolarHBondContact OD1-N 2.74Å; D1486-E1488 PolarHBondContact O-N 3.29Å; E1488-R1521 WeakPolarHBondContact CA-O 3.42Å; E1488-K1522 HydrophobicContact CG-CB 4.39Å; E1488-K1522 HydrophobicContact CG-CD 4.14Å; E1488-K1522 HydrophobicContact CG-CG 4.24Å; E1488-K1522 WeakPolarHBondContact OE1-CD 3.32Å; E1488-K1522 VanDerWaalsContact OE1-CE 3.27Å; E1488-K1522 WeakPolarHBondContact OE1-CE 3.33Å; E1488-K1522 IonicContact OE1-NZ 3.36Å; E1488-K1522 PolarHBondContact OE1-NZ 3.17Å; E1488-T1546 PolarHBondContact OE1-OG1 3.48Å; E1488-R1639 IonicContact OE1-CZ 3.63Å; E1488-R1639 IonicContact OE1-NH1 3.07Å; E1488-R1639 PolarHBondContact OE1-NH1 2.88Å; E1488-R1639 IonicContact OE2-CZ 2.7Å; E1488-R1639 IonicContact OE2-NH1 3.29Å; E1488-R1639 PolarHBondContact OE2-NH1 3.05Å |
| 1489 | Q | 74.1 | Confident | 74.7 | Confident | 3.8 Ų | 3.8 | 40.8 Ų | 40.8 | 2% | 0.018 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 143.9 | -178.5 | 45.4 | 178.1 | -15.6 | 0 | 0 | 113.6 | L1317 R1420 L1477 L1478 D1486 T1487 E1491 R1521 | L1317-Q1489 VanDerWaalsContact CD1-CD 3.45Å; L1317-Q1489 HydrophobicContact CD1-CG 4.38Å; R1420-Q1489 VanDerWaalsContact NH2-OE1 3.12Å; L1477-Q1489 CarbonylContact O-C 3.54Å; L1477-Q1489 WeakPolarHBondContact O-CA 3.44Å; L1478-Q1489 HydrophobicContact CD1-CB 4Å; L1478-Q1489 HydrophobicContact CG-CB 4.49Å; L1478-Q1489 HydrophobicContact CG-CG 4.49Å; D1486-Q1489 PolarHBondContact O-NE2 2.99Å; T1487-Q1489 PolarHBondContact O-N 2.88Å; Q1489-E1491 HydrophobicContact CB-CG 4.45Å; Q1489-E1491 HydrophobicContact CG-CG 4.22Å; Q1489-E1491 PolarHBondContact NE2-OE1 3.24Å; Q1489-E1491 PolarHBondContact OE1-OE1 3.26Å; Q1489-R1521 HydrophobicContact CG-CB 4.16Å; Q1489-R1521 VanDerWaalsContact CG-O 3.22Å; Q1489-R1521 WeakPolarHBondContact CG-O 3.5Å; Q1489-R1521 PolarHBondContact N-O 3.1Å; Q1489-R1521 VanDerWaalsContact N-O 3.11Å; Q1489-R1521 PolarHBondContact O-N 3.13Å |
| 1490 | L | 78 | Confident | 74.4 | Confident | 19.4 Ų | 19.4 | 42 Ų | 42 | 10% | 0.102 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 114.2 | 166.7 | 178.9 | 54.9 | 0 | 0 | 0 | 108.6 | A1476 L1477 W1492 L1518 W1636 L1640 | A1476-L1490 CarbonylContact C-O 3.52Å; A1476-L1490 WeakPolarHBondContact CA-O 3.25Å; L1477-L1490 HydrophobicContact CB-CB 4.21Å; L1477-L1490 HydrophobicContact CD2-CD2 4.42Å; L1477-L1490 PolarHBondContact N-O 3.08Å; L1477-L1490 PolarHBondContact O-N 2.95Å; L1490-W1492 VanDerWaalsContact CD2-NE1 3.33Å; L1490-L1518 HydrophobicContact CD1-CD2 3.93Å; L1490-L1518 HydrophobicContact CD1-CG 4.13Å; L1490-W1636 HydrophobicContact CB-CH2 3.63Å; L1490-W1636 HydrophobicContact CB-CZ2 3.88Å; L1490-W1636 HydrophobicContact CD1-CH2 3.94Å; L1490-W1636 HydrophobicContact CD1-CZ3 4.42Å; L1490-W1636 HydrophobicContact CD2-CH2 4.2Å; L1490-W1636 HydrophobicContact CG-CH2 4.16Å; L1490-L1640 HydrophobicContact CB-CD2 4.39Å; L1490-L1640 HydrophobicContact CD2-CD2 3.75Å |
| 1491 | E | 75.8 | Confident | 74.2 | Confident | 2.2 Ų | 2.2 | 44.7 Ų | 44.7 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 123.6 | 175.3 | -65.2 | -169.8 | 148.8 | 0 | 0 | 110.8 | R1420 V1474 L1475 A1476 Q1489 T1493 L1518 I1519 R1521 | R1420-E1491 IonicContact CZ-OE1 3.46Å; R1420-E1491 VanDerWaalsContact CZ-OE1 3.28Å; R1420-E1491 IonicContact NH1-OE1 3.6Å; R1420-E1491 PolarHBondContact NH1-OE1 3.11Å; R1420-E1491 IonicContact NH1-OE2 2.78Å; R1420-E1491 IonicContact NH2-OE1 3.31Å; R1420-E1491 PolarHBondContact NH2-OE1 3.17Å; R1420-E1491 VanDerWaalsContact NH2-OE1 3.1Å; V1474-E1491 HydrophobicContact CG1-CB 4.33Å; V1474-E1491 HydrophobicContact CG1-CG 4.41Å; L1475-E1491 CarbonylContact O-C 3.42Å; L1475-E1491 WeakPolarHBondContact O-CA 3.37Å; A1476-E1491 HydrophobicContact CB-CG 4.16Å; Q1489-E1491 HydrophobicContact CB-CG 4.45Å; Q1489-E1491 HydrophobicContact CG-CG 4.22Å; Q1489-E1491 PolarHBondContact NE2-OE1 3.24Å; Q1489-E1491 PolarHBondContact OE1-OE1 3.26Å; E1491-T1493 HydrophobicContact CB-CG2 4.35Å; E1491-L1518 WeakPolarHBondContact O-CA 3.28Å; E1491-I1519 WeakPolarHBondContact CA-O 3.28Å; E1491-I1519 WeakPolarHBondContact CB-O 3.47Å; E1491-I1519 PolarHBondContact N-O 3.17Å; E1491-I1519 PolarHBondContact O-N 2.97Å; E1491-R1521 IonicContact OE1-NH1 3.27Å; E1491-R1521 PolarHBondContact OE1-NH1 3.2Å; E1491-R1521 WeakPolarHBondContact OE2-CD 3.23Å; E1491-R1521 IonicContact OE2-CZ 3.64Å; E1491-R1521 IonicContact OE2-NE 3.35Å; E1491-R1521 PolarHBondContact OE2-NE 2.91Å; E1491-R1521 IonicContact OE2-NH1 2.95Å; E1491-R1521 PolarHBondContact OE2-NH1 3.08Å; E1491-R1521 IonicContact OE2-NH2 3.74Å |
| 1492 | W | 72.3 | Confident | 73.7 | Confident | 88 Ų | 88 | 43.5 Ų | 43.5 | 33% | 0.333 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 112 | 167 | -58.9 | 1.9 | 0 | 0 | 0 | 107 | V1474 L1475 L1490 W1494 L1518 F1561 F1611 | V1474-W1492 CarbonylContact C-O 3.53Å; V1474-W1492 VanDerWaalsContact CA-O 3.28Å; V1474-W1492 WeakPolarHBondContact CA-O 3.33Å; L1475-W1492 HydrophobicContact CB-CB 4.28Å; L1475-W1492 HydrophobicContact CB-CE3 4.28Å; L1475-W1492 HydrophobicContact CD1-CE3 4.2Å; L1475-W1492 PolarHBondContact N-O 2.9Å; L1475-W1492 PolarHBondContact O-N 3.14Å; L1490-W1492 VanDerWaalsContact CD2-NE1 3.33Å; W1492-W1494 HydrophobicContact CB-CE3 4.26Å; W1492-W1494 HydrophobicContact CB-CH2 3.38Å; W1492-W1494 VanDerWaalsContact CB-CH2 3.46Å; W1492-W1494 HydrophobicContact CB-CZ2 4.08Å; W1492-W1494 HydrophobicContact CB-CZ3 3.44Å; W1492-W1494 VanDerWaalsContact CB-CZ3 3.48Å; W1492-W1494 HydrophobicContact CD2-CH2 4.16Å; W1492-W1494 HydrophobicContact CD2-CZ2 4.48Å; W1492-W1494 AromaticContact CE3-CH2 3.62Å; W1492-W1494 HydrophobicContact CE3-CH2 3.84Å; W1492-W1494 AromaticContact CE3-CZ2 3.78Å; W1492-W1494 HydrophobicContact CE3-CZ2 3.93Å; W1492-W1494 HydrophobicContact CE3-CZ3 4.42Å; W1492-W1494 HydrophobicContact CG-CH2 4.15Å; W1492-W1494 HydrophobicContact CG-CZ3 4.41Å; W1492-W1494 HydrophobicContact CZ3-CZ2 4.45Å; W1492-W1494 WeakPolarHBondContact O-CZ3 3.38Å; W1492-L1518 HydrophobicContact CB-CD2 3.94Å; W1492-L1518 HydrophobicContact CD2-CD2 4.22Å; W1492-L1518 HydrophobicContact CG-CD1 4.12Å; W1492-L1518 HydrophobicContact CG-CD2 3.75Å; W1492-L1518 HydrophobicContact CG-CG 4.29Å; W1492-L1518 VanDerWaalsContact NE1-CD2 3.3Å; W1492-F1561 HydrophobicContact CZ3-CE2 4.34Å; W1492-F1561 HydrophobicContact CZ3-CZ 4.09Å; W1492-F1611 HydrophobicContact CH2-CE2 4.49Å |
| 1493 | T | 73.5 | Confident | 72.9 | Confident | 11.4 Ų | 11.4 | 40.9 Ų | 40.9 | 7% | 0.07 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 126.2 | 178.2 | 25.4 | 0 | 0 | 0 | 0 | 110 | K1472 L1473 V1474 E1491 E1495 L1516 C1517 I1519 | K1472-T1493 HydrophobicContact CG-CG2 4.29Å; L1473-T1493 CarbonylContact O-C 3.58Å; L1473-T1493 VanDerWaalsContact O-CA 3.3Å; L1473-T1493 WeakPolarHBondContact O-CA 3.36Å; V1474-T1493 HydrophobicContact CB-CG2 4.41Å; V1474-T1493 HydrophobicContact CG1-CG2 4.04Å; V1474-T1493 HydrophobicContact CG2-CG2 4.02Å; E1491-T1493 HydrophobicContact CB-CG2 4.35Å; T1493-E1495 HydrophobicContact CG2-CG 4.34Å; T1493-L1516 WeakPolarHBondContact O-CD1 3.34Å; T1493-C1517 WeakPolarHBondContact CA-O 3.47Å; T1493-C1517 WeakPolarHBondContact CB-O 3.42Å; T1493-C1517 PolarHBondContact N-O 3Å; T1493-C1517 PolarHBondContact O-N 3.18Å; T1493-C1517 VanDerWaalsContact O-O 3.1Å; T1493-C1517 VanDerWaalsContact OG1-CB 3.27Å; T1493-C1517 WeakPolarHBondContact OG1-CB 3.38Å; T1493-C1517 PolarHBondContact OG1-O 3.19Å; T1493-I1519 HydrophobicContact CG2-CD1 4.37Å |
| 1494 | W | 70.6 | Confident | 71.6 | Confident | 15.2 Ų | 15.2 | 40.6 Ų | 40.6 | 6% | 0.058 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 135.4 | 175 | -58.9 | -73.6 | 0 | 0 | 0 | 109.4 | K1472 L1473 L1475 W1492 L1497 F1511 H1515 L1516 L1558 F1559 F1561 | K1472-W1494 CarbonylContact C-O 3.55Å; K1472-W1494 VanDerWaalsContact CA-O 3.29Å; K1472-W1494 WeakPolarHBondContact CA-O 3.35Å; L1473-W1494 HydrophobicContact CB-CB 4.28Å; L1473-W1494 HydrophobicContact CB-CD2 4.49Å; L1473-W1494 HydrophobicContact CB-CE3 3.89Å; L1473-W1494 HydrophobicContact CB-CZ3 4.44Å; L1473-W1494 HydrophobicContact CD2-CD2 4.17Å; L1473-W1494 HydrophobicContact CD2-CE3 3.56Å; L1473-W1494 VanDerWaalsContact CD2-CE3 3.48Å; L1473-W1494 HydrophobicContact CD2-CH2 4.18Å; L1473-W1494 HydrophobicContact CD2-CZ3 3.64Å; L1473-W1494 HydrophobicContact CG-CE3 3.62Å; L1473-W1494 HydrophobicContact CG-CZ3 3.91Å; L1473-W1494 PolarHBondContact N-O 3.16Å; L1473-W1494 PolarHBondContact O-N 3.19Å; L1475-W1494 HydrophobicContact CB-CH2 4.23Å; L1475-W1494 HydrophobicContact CB-CZ3 3.94Å; L1475-W1494 HydrophobicContact CD1-CH2 3.6Å; L1475-W1494 HydrophobicContact CD1-CZ2 4.08Å; L1475-W1494 HydrophobicContact CD1-CZ3 3.88Å; L1475-W1494 HydrophobicContact CG-CH2 3.91Å; L1475-W1494 HydrophobicContact CG-CZ3 3.69Å; L1475-W1494 VanDerWaalsContact CG-CZ3 3.46Å; W1492-W1494 HydrophobicContact CB-CE3 4.26Å; W1492-W1494 HydrophobicContact CB-CH2 3.38Å; W1492-W1494 VanDerWaalsContact CB-CH2 3.46Å; W1492-W1494 HydrophobicContact CB-CZ2 4.08Å; W1492-W1494 HydrophobicContact CB-CZ3 3.44Å; W1492-W1494 VanDerWaalsContact CB-CZ3 3.48Å; W1492-W1494 HydrophobicContact CD2-CH2 4.16Å; W1492-W1494 HydrophobicContact CD2-CZ2 4.48Å; W1492-W1494 AromaticContact CE3-CH2 3.62Å; W1492-W1494 HydrophobicContact CE3-CH2 3.84Å; W1492-W1494 AromaticContact CE3-CZ2 3.78Å; W1492-W1494 HydrophobicContact CE3-CZ2 3.93Å; W1492-W1494 HydrophobicContact CE3-CZ3 4.42Å; W1492-W1494 HydrophobicContact CG-CH2 4.15Å; W1492-W1494 HydrophobicContact CG-CZ3 4.41Å; W1492-W1494 HydrophobicContact CZ3-CZ2 4.45Å; W1492-W1494 WeakPolarHBondContact O-CZ3 3.38Å; W1494-L1497 HydrophobicContact CB-CB 4.16Å; W1494-L1497 HydrophobicContact CB-CD1 4Å; W1494-L1497 HydrophobicContact CB-CD2 4.38Å; W1494-L1497 HydrophobicContact CB-CG 4.29Å; W1494-L1497 HydrophobicContact CD2-CD1 4.17Å; W1494-L1497 HydrophobicContact CE3-CD1 3.77Å; W1494-L1497 HydrophobicContact CE3-CD2 3.85Å; W1494-L1497 HydrophobicContact CE3-CG 4.46Å; W1494-L1497 HydrophobicContact CG-CD1 3.96Å; W1494-L1497 HydrophobicContact CG-CD2 4.43Å; W1494-L1497 HydrophobicContact CZ3-CD1 4.43Å; W1494-L1497 HydrophobicContact CZ3-CD2 4.28Å; W1494-F1511 HydrophobicContact CB-CE1 4.09Å; W1494-F1511 AromaticContact CD1-CE1 3.34Å; W1494-F1511 AromaticContact CD1-CZ 3.12Å; W1494-F1511 AromaticContact CG-CE1 3.99Å; W1494-F1511 HydrophobicContact CG-CE1 4.1Å; W1494-F1511 HydrophobicContact CG-CZ 4.02Å; W1494-F1511 HydrophobicContact CH2-CD2 4.08Å; W1494-F1511 HydrophobicContact CH2-CE2 4.32Å; W1494-F1511 HydrophobicContact CH2-CG 4.24Å; W1494-F1511 HydrophobicContact CZ2-CE2 4.37Å; W1494-F1511 HydrophobicContact CZ2-CZ 4.48Å; W1494-F1511 HydrophobicContact CZ3-CB 4.18Å; W1494-F1511 HydrophobicContact CZ3-CD2 4.44Å; W1494-F1511 HydrophobicContact CZ3-CG 4.14Å; W1494-F1511 AromaticContact NE1-CZ 3.59Å; W1494-H1515 WeakPolarHBondContact CA-O 3.37Å; W1494-L1516 VanDerWaalsContact CD1-CD1 3.49Å; W1494-L1516 HydrophobicContact CD2-CB 4.4Å; W1494-L1516 HydrophobicContact CD2-CD1 4Å; W1494-L1516 HydrophobicContact CE3-CB 3.86Å; W1494-L1516 HydrophobicContact CE3-CD1 3.91Å; W1494-L1516 HydrophobicContact CE3-CG 4.35Å; W1494-L1516 HydrophobicContact CG-CD1 4.15Å; W1494-L1516 HydrophobicContact CH2-CB 4.2Å; W1494-L1516 HydrophobicContact CH2-CD1 3.87Å; W1494-L1516 HydrophobicContact CH2-CD2 3.63Å; W1494-L1516 HydrophobicContact CH2-CG 4.09Å; W1494-L1516 HydrophobicContact CZ2-CD1 3.77Å; W1494-L1516 HydrophobicContact CZ2-CD2 3.93Å; W1494-L1516 HydrophobicContact CZ2-CG 4.22Å; W1494-L1516 HydrophobicContact CZ3-CB 3.75Å; W1494-L1516 HydrophobicContact CZ3-CD1 4.04Å; W1494-L1516 HydrophobicContact CZ3-CD2 4.07Å; W1494-L1516 HydrophobicContact CZ3-CG 4.15Å; W1494-L1516 VanDerWaalsContact NE1-CD1 3.34Å; W1494-L1558 HydrophobicContact CH2-CD1 4.4Å; W1494-L1558 HydrophobicContact CZ3-CD1 4.3Å; W1494-L1558 HydrophobicContact CZ3-CD2 4.27Å; W1494-F1559 AromaticContact CD1-CZ 3.53Å; W1494-F1559 AromaticContact NE1-CZ 3.59Å; W1494-F1561 HydrophobicContact CH2-CB 4.03Å; W1494-F1561 AromaticContact CH2-CD2 3.9Å; W1494-F1561 HydrophobicContact CH2-CD2 3.9Å; W1494-F1561 HydrophobicContact CH2-CE2 4.44Å; W1494-F1561 AromaticContact CH2-CG 3.99Å; W1494-F1561 HydrophobicContact CH2-CG 3.99Å; W1494-F1561 HydrophobicContact CZ2-CD2 4.31Å; W1494-F1561 HydrophobicContact CZ2-CE2 4.4Å |
| 1495 | E | 70.3 | Confident | 70.2 | Confident | 87.4 Ų | 87.4 | 44.4 Ų | 44.4 | 41% | 0.408 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 132.5 | 174.6 | -58.9 | -169.4 | 159.9 | 0 | 0 | 110.2 | N1471 K1472 T1493 L1497 H1515 | N1471-E1495 CarbonylContact O-C 3.54Å; N1471-E1495 WeakPolarHBondContact O-CA 3.33Å; K1472-E1495 IonicContact NZ-OE1 3.61Å; K1472-E1495 PolarHBondContact NZ-OE1 3.11Å; T1493-E1495 HydrophobicContact CG2-CG 4.34Å; E1495-L1497 VanDerWaalsContact C-N 3.3Å; E1495-L1497 PolarHBondContact O-N 3.21Å; E1495-H1515 HydrophobicContact CB-CB 4.44Å; E1495-H1515 PolarHBondContact N-O 2.97Å; E1495-H1515 VanDerWaalsContact N-O 3.11Å; E1495-H1515 PolarHBondContact O-N 3.02Å; E1495-H1515 IonicContact OE2-CD2 3.24Å |
| 1496 | K | 70.7 | Confident | 69 | Low | 132.2 Ų | 132.2 | 48.1 Ų | 48.1 | 58% | 0.575 | 22% | 0.219 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 55.9 | 43.4 | -175.8 | -58.2 | 172.8 | -179.4 | 174.8 | 0 | 113.5 | S1470 N1471 L1498 H1514 | S1470-K1496 CarbonylContact O-C 3.51Å; S1470-K1496 VanDerWaalsContact O-C 3.27Å; S1470-K1496 VanDerWaalsContact O-CA 3.29Å; S1470-K1496 WeakPolarHBondContact O-CA 3.33Å; S1470-K1496 PolarHBondContact O-N 2.96Å; N1471-K1496 PolarHBondContact O-N 3.05Å; K1496-L1498 PolarHBondContact O-N 2.76Å; K1496-H1514 VanDerWaalsContact C-ND1 3.28Å; K1496-H1514 HydrophobicContact CD-CB 4.27Å; K1496-H1514 VanDerWaalsContact CD-CD2 3.43Å; K1496-H1514 WeakPolarHBondContact CD-CD2 3.27Å; K1496-H1514 PolarHBondContact NZ-CD2 2.85Å; K1496-H1514 VanDerWaalsContact NZ-CD2 3.33Å; K1496-H1514 PolarHBondContact NZ-NE2 3.05Å; K1496-H1514 PolarHBondContact O-CD2 3.29Å; K1496-H1514 PolarHBondContact O-CE1 3.04Å; K1496-H1514 VanDerWaalsContact O-CE1 3.23Å; K1496-H1514 PolarHBondContact O-ND1 3.04Å; K1496-H1514 PolarHBondContact O-NE2 2.88Å |
| 1497 | L | 69.3 | Low | 68.2 | Low | 0.6 Ų | 0.6 | 46.7 Ų | 46.7 | 0% | 0.003 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 134.2 | 179.8 | -175.5 | 71.2 | 0 | 0 | 0 | 112.7 | L1468 L1469 S1470 L1473 W1494 E1495 F1499 I1509 F1511 H1514 | L1468-L1497 HydrophobicContact CD2-CD2 4.18Å; L1469-L1497 CarbonylContact C-O 3.56Å; L1469-L1497 VanDerWaalsContact CA-O 3.28Å; L1469-L1497 WeakPolarHBondContact CA-O 3.36Å; S1470-L1497 PolarHBondContact N-O 3.21Å; S1470-L1497 WeakPolarHBondContact O-CB 3.22Å; S1470-L1497 PolarHBondContact O-N 2.97Å; L1473-L1497 HydrophobicContact CB-CD2 3.81Å; L1473-L1497 HydrophobicContact CD2-CD2 3.36Å; L1473-L1497 VanDerWaalsContact CD2-CD2 3.41Å; L1473-L1497 HydrophobicContact CG-CD2 4.15Å; W1494-L1497 HydrophobicContact CB-CB 4.16Å; W1494-L1497 HydrophobicContact CB-CD1 4Å; W1494-L1497 HydrophobicContact CB-CD2 4.38Å; W1494-L1497 HydrophobicContact CB-CG 4.29Å; W1494-L1497 HydrophobicContact CD2-CD1 4.17Å; W1494-L1497 HydrophobicContact CE3-CD1 3.77Å; W1494-L1497 HydrophobicContact CE3-CD2 3.85Å; W1494-L1497 HydrophobicContact CE3-CG 4.46Å; W1494-L1497 HydrophobicContact CG-CD1 3.96Å; W1494-L1497 HydrophobicContact CG-CD2 4.43Å; W1494-L1497 HydrophobicContact CZ3-CD1 4.43Å; W1494-L1497 HydrophobicContact CZ3-CD2 4.28Å; E1495-L1497 VanDerWaalsContact C-N 3.3Å; E1495-L1497 PolarHBondContact O-N 3.21Å; L1497-F1499 HydrophobicContact CD2-CB 4.27Å; L1497-F1499 HydrophobicContact CG-CB 4.35Å; L1497-I1509 HydrophobicContact CD1-CG2 3.44Å; L1497-F1511 HydrophobicContact CB-CE1 4.46Å; L1497-F1511 HydrophobicContact CD1-CD1 3.68Å; L1497-F1511 VanDerWaalsContact CD1-CD1 3.42Å; L1497-F1511 HydrophobicContact CD1-CE1 3.55Å; L1497-F1511 VanDerWaalsContact CD1-CE1 3.45Å; L1497-F1511 HydrophobicContact CD1-CE2 4.2Å; L1497-F1511 HydrophobicContact CD1-CG 4.25Å; L1497-F1511 HydrophobicContact CD1-CZ 3.54Å; L1497-F1511 HydrophobicContact CD2-CD1 4.45Å; L1497-F1511 HydrophobicContact CD2-CE1 4.14Å; L1497-F1511 HydrophobicContact CG-CD1 4.12Å; L1497-F1511 HydrophobicContact CG-CE1 4.2Å; L1497-H1514 VanDerWaalsContact C-CE1 3.44Å; L1497-H1514 VanDerWaalsContact CA-ND1 3.29Å; L1497-H1514 WeakPolarHBondContact CA-ND1 3.39Å |
| 1498 | L | 70.6 | Confident | 67.6 | Low | 37.4 Ų | 37.4 | 46.9 Ų | 46.9 | 20% | 0.196 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 110.2 | 160.3 | 176.6 | 62.3 | 0 | 0 | 0 | 109.1 | F1412 L1468 K1496 K1510 F1511 P1512 H1514 | F1412-L1498 HydrophobicContact CD1-CD1 3.51Å; F1412-L1498 HydrophobicContact CD1-CD2 4.43Å; F1412-L1498 HydrophobicContact CD1-CG 4.47Å; F1412-L1498 HydrophobicContact CD2-CD1 4.35Å; F1412-L1498 HydrophobicContact CE1-CD1 3.32Å; F1412-L1498 HydrophobicContact CE1-CD2 3.44Å; F1412-L1498 VanDerWaalsContact CE1-CD2 3.44Å; F1412-L1498 HydrophobicContact CE1-CG 3.9Å; F1412-L1498 HydrophobicContact CE2-CD1 4.22Å; F1412-L1498 HydrophobicContact CE2-CD2 4.22Å; F1412-L1498 HydrophobicContact CG-CD1 3.91Å; F1412-L1498 HydrophobicContact CZ-CD1 3.64Å; F1412-L1498 HydrophobicContact CZ-CD2 3.3Å; F1412-L1498 HydrophobicContact CZ-CG 4.08Å; L1468-L1498 CarbonylContact O-C 3.55Å; L1468-L1498 WeakPolarHBondContact O-CA 3.37Å; K1496-L1498 PolarHBondContact O-N 2.76Å; L1498-K1510 WeakPolarHBondContact CB-O 3.3Å; L1498-K1510 PolarHBondContact O-N 2.95Å; L1498-K1510 VanDerWaalsContact O-N 3.13Å; L1498-K1510 VanDerWaalsContact O-O 3.04Å; L1498-F1511 WeakPolarHBondContact O-CD1 3.15Å; L1498-P1512 HydrophobicContact CB-CG 4.46Å; L1498-P1512 HydrophobicContact CD2-CG 3.9Å; L1498-P1512 HydrophobicContact CG-CG 4.25Å; L1498-P1512 WeakPolarHBondContact O-CD 3.38Å; L1498-H1514 PolarHBondContact N-CE1 3.24Å; L1498-H1514 PolarHBondContact N-ND1 3.29Å; L1498-H1514 PolarHBondContact N-NE2 3.1Å; L1498-H1514 PolarHBondContact O-NE2 3.23Å |
| 1499 | F | 72.5 | Confident | 66.9 | Low | 40.4 Ų | 40.4 | 46.9 Ų | 46.9 | 18% | 0.177 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 127.3 | 177.1 | 168.4 | -85.3 | 0 | 0 | 0 | 109.5 | L1466 R1467 L1468 L1497 W1501 I1509 F1511 | L1466-F1499 HydrophobicContact CD2-CD1 3.78Å; L1466-F1499 HydrophobicContact CD2-CE1 3.87Å; L1466-F1499 VanDerWaalsContact CD2-CE1 3.45Å; R1467-F1499 CarbonylContact C-O 3.45Å; R1467-F1499 VanDerWaalsContact CA-O 3.29Å; R1467-F1499 WeakPolarHBondContact CA-O 3.35Å; L1468-F1499 HydrophobicContact CB-CB 4.06Å; L1468-F1499 HydrophobicContact CB-CD1 3.98Å; L1468-F1499 HydrophobicContact CB-CG 4.4Å; L1468-F1499 HydrophobicContact CD2-CB 4.35Å; L1468-F1499 HydrophobicContact CD2-CD1 4.42Å; L1468-F1499 HydrophobicContact CG-CB 4.4Å; L1468-F1499 PolarHBondContact N-O 3.12Å; L1468-F1499 PolarHBondContact O-N 3.05Å; L1497-F1499 HydrophobicContact CD2-CB 4.27Å; L1497-F1499 HydrophobicContact CG-CB 4.35Å; F1499-W1501 HydrophobicContact CE1-CB 3.68Å; F1499-W1501 HydrophobicContact CZ-CB 4.02Å; F1499-W1501 HydrophobicContact CZ-CE3 4.25Å; F1499-I1509 HydrophobicContact CB-CG2 4.23Å; F1499-I1509 HydrophobicContact CD2-CB 4.47Å; F1499-I1509 HydrophobicContact CD2-CD1 3.76Å; F1499-I1509 HydrophobicContact CD2-CG1 3.74Å; F1499-I1509 HydrophobicContact CD2-CG2 3.75Å; F1499-I1509 HydrophobicContact CE2-CB 4.37Å; F1499-I1509 HydrophobicContact CE2-CD1 4.08Å; F1499-I1509 HydrophobicContact CE2-CG1 4.23Å; F1499-I1509 HydrophobicContact CE2-CG2 3.36Å; F1499-I1509 VanDerWaalsContact CE2-CG2 3.4Å; F1499-I1509 HydrophobicContact CG-CG2 4.43Å; F1499-I1509 HydrophobicContact CZ-CD1 4.42Å; F1499-I1509 HydrophobicContact CZ-CG1 4.36Å; F1499-I1509 HydrophobicContact CZ-CG2 4.25Å; F1499-F1511 HydrophobicContact CB-CD1 4.41Å; F1499-F1511 HydrophobicContact CB-CE1 4.02Å; F1499-F1511 HydrophobicContact CD2-CD1 4.5Å; F1499-F1511 AromaticContact CD2-CE1 3.66Å; F1499-F1511 HydrophobicContact CD2-CE1 3.66Å; F1499-F1511 AromaticContact CD2-CZ 3.79Å; F1499-F1511 HydrophobicContact CD2-CZ 3.79Å; F1499-F1511 HydrophobicContact CE2-CZ 4.42Å; F1499-F1511 HydrophobicContact CG-CE1 4.34Å |
| 1500 | E | 72 | Confident | 66 | Low | 28.4 Ų | 28.4 | 51.1 Ų | 51.1 | 13% | 0.133 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 118.7 | 174 | -173 | 175.1 | -138.3 | 0 | 0 | 110.9 | L1466 R1467 K1502 D1508 I1509 K1510 | L1466-E1500 CarbonylContact O-C 3.54Å; L1466-E1500 WeakPolarHBondContact O-CA 3.47Å; R1467-E1500 HydrophobicContact CG-CB 4.39Å; R1467-E1500 HydrophobicContact CG-CG 4Å; R1467-E1500 IonicContact CZ-OE1 3.7Å; R1467-E1500 VanDerWaalsContact CZ-OE1 3.25Å; R1467-E1500 IonicContact NE-OE1 3.32Å; R1467-E1500 PolarHBondContact NE-OE1 3.07Å; R1467-E1500 IonicContact NH2-OE1 3.17Å; R1467-E1500 PolarHBondContact NH2-OE1 3.08Å; E1500-K1502 VanDerWaalsContact CD-CE 3.42Å; E1500-K1502 VanDerWaalsContact CD-NZ 3.33Å; E1500-K1502 HydrophobicContact CG-CD 4.36Å; E1500-K1502 HydrophobicContact CG-CG 4.29Å; E1500-K1502 WeakPolarHBondContact OE1-CE 3.25Å; E1500-K1502 IonicContact OE1-NZ 3.33Å; E1500-K1502 PolarHBondContact OE1-NZ 3.09Å; E1500-K1502 VanDerWaalsContact OE2-CE 3.24Å; E1500-K1502 WeakPolarHBondContact OE2-CE 3.31Å; E1500-K1502 IonicContact OE2-NZ 3.57Å; E1500-K1502 PolarHBondContact OE2-NZ 3.08Å; E1500-D1508 PolarHBondContact N-O 3.26Å; E1500-D1508 PolarHBondContact O-N 3.17Å; E1500-I1509 WeakPolarHBondContact O-CA 3.46Å; E1500-K1510 PolarHBondContact N-O 2.98Å; E1500-K1510 PolarHBondContact O-N 3.07Å |
| 1501 | W | 74.6 | Confident | 65 | Low | 69.2 Ų | 69.2 | 50.8 Ų | 50.8 | 26% | 0.262 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 122.4 | 170.5 | 174.1 | -80.2 | 0 | 0 | 0 | 109.7 | R1465 L1466 F1499 Y1507 I1509 F1565 | R1465-W1501 CarbonylContact C-O 3.47Å; R1465-W1501 VanDerWaalsContact CA-O 3.25Å; R1465-W1501 WeakPolarHBondContact CA-O 3.38Å; L1466-W1501 HydrophobicContact CB-CB 3.94Å; L1466-W1501 HydrophobicContact CB-CG 4.42Å; L1466-W1501 HydrophobicContact CD1-CB 4.19Å; L1466-W1501 HydrophobicContact CD1-CG 4.14Å; L1466-W1501 HydrophobicContact CD2-CB 4.18Å; L1466-W1501 HydrophobicContact CG-CB 4.17Å; L1466-W1501 HydrophobicContact CG-CG 4.33Å; L1466-W1501 PolarHBondContact N-O 3.04Å; L1466-W1501 PolarHBondContact O-N 3.17Å; F1499-W1501 HydrophobicContact CE1-CB 3.68Å; F1499-W1501 HydrophobicContact CZ-CB 4.02Å; F1499-W1501 HydrophobicContact CZ-CE3 4.25Å; W1501-Y1507 HydrophobicContact CB-CD1 4.3Å; W1501-Y1507 AromaticContact CD2-CD1 3.53Å; W1501-Y1507 HydrophobicContact CD2-CD1 3.8Å; W1501-Y1507 VanDerWaalsContact CD2-CD1 3.46Å; W1501-Y1507 AromaticContact CD2-CE1 3.17Å; W1501-Y1507 HydrophobicContact CD2-CE1 3.17Å; W1501-Y1507 HydrophobicContact CD2-CG 4.41Å; W1501-Y1507 AromaticContact CD2-CZ 3.73Å; W1501-Y1507 AromaticContact CE2-CD1 3.7Å; W1501-Y1507 VanDerWaalsContact CE2-CD1 3.5Å; W1501-Y1507 AromaticContact CE2-CE1 3.54Å; W1501-Y1507 VanDerWaalsContact CE2-CE1 3.48Å; W1501-Y1507 AromaticContact CE2-CZ 3.71Å; W1501-Y1507 AromaticContact CE3-CD1 3.32Å; W1501-Y1507 HydrophobicContact CE3-CD1 3.32Å; W1501-Y1507 VanDerWaalsContact CE3-CD1 3.42Å; W1501-Y1507 AromaticContact CE3-CD2 3.95Å; W1501-Y1507 HydrophobicContact CE3-CD2 4.17Å; W1501-Y1507 AromaticContact CE3-CE1 3.17Å; W1501-Y1507 HydrophobicContact CE3-CE1 3.17Å; W1501-Y1507 AromaticContact CE3-CE2 3.74Å; W1501-Y1507 HydrophobicContact CE3-CE2 4.01Å; W1501-Y1507 AromaticContact CE3-CG 3.86Å; W1501-Y1507 HydrophobicContact CE3-CG 3.86Å; W1501-Y1507 AromaticContact CE3-CZ 3.56Å; W1501-Y1507 AromaticContact CG-CD1 3.96Å; W1501-Y1507 HydrophobicContact CG-CD1 3.96Å; W1501-Y1507 AromaticContact CG-CE1 3.87Å; W1501-Y1507 HydrophobicContact CG-CE1 3.87Å; W1501-Y1507 AromaticContact CH2-CD1 3.82Å; W1501-Y1507 HydrophobicContact CH2-CD1 3.99Å; W1501-Y1507 AromaticContact CH2-CE1 3.66Å; W1501-Y1507 HydrophobicContact CH2-CE1 3.88Å; W1501-Y1507 AromaticContact CH2-CE2 3.59Å; W1501-Y1507 HydrophobicContact CH2-CE2 3.87Å; W1501-Y1507 HydrophobicContact CH2-CG 4.14Å; W1501-Y1507 AromaticContact CH2-CZ 3.25Å; W1501-Y1507 VanDerWaalsContact CH2-CZ 3.46Å; W1501-Y1507 VanDerWaalsContact CH2-OH 3.24Å; W1501-Y1507 WeakPolarHBondContact CH2-OH 3.4Å; W1501-Y1507 AromaticContact CZ2-CD1 3.26Å; W1501-Y1507 HydrophobicContact CZ2-CD1 3.26Å; W1501-Y1507 AromaticContact CZ2-CE1 3.66Å; W1501-Y1507 HydrophobicContact CZ2-CE1 3.66Å; W1501-Y1507 VanDerWaalsContact CZ2-CE1 3.42Å; W1501-Y1507 HydrophobicContact CZ2-CE2 4.37Å; W1501-Y1507 AromaticContact CZ2-CG 3.93Å; W1501-Y1507 HydrophobicContact CZ2-CG 4.04Å; W1501-Y1507 AromaticContact CZ2-CZ 3.58Å; W1501-Y1507 VanDerWaalsContact CZ2-CZ 3.4Å; W1501-Y1507 WeakPolarHBondContact CZ2-OH 3.41Å; W1501-Y1507 AromaticContact CZ3-CD1 3.89Å; W1501-Y1507 HydrophobicContact CZ3-CD1 4.09Å; W1501-Y1507 AromaticContact CZ3-CD2 3.78Å; W1501-Y1507 HydrophobicContact CZ3-CD2 4.02Å; W1501-Y1507 AromaticContact CZ3-CE1 3.42Å; W1501-Y1507 HydrophobicContact CZ3-CE1 3.42Å; W1501-Y1507 AromaticContact CZ3-CE2 3.52Å; W1501-Y1507 HydrophobicContact CZ3-CE2 3.52Å; W1501-Y1507 HydrophobicContact CZ3-CG 4.19Å; W1501-Y1507 AromaticContact CZ3-CZ 3.23Å; W1501-Y1507 VanDerWaalsContact CZ3-CZ 3.45Å; W1501-Y1507 WeakPolarHBondContact CZ3-OH 3.36Å; W1501-Y1507 AromaticContact NE1-CD1 3.88Å; W1501-Y1507 AromaticContact NE1-CE1 3.93Å; W1501-I1509 HydrophobicContact CE3-CD1 4.07Å; W1501-I1509 HydrophobicContact CE3-CG1 3.88Å; W1501-I1509 HydrophobicContact CZ3-CD1 4.05Å; W1501-I1509 HydrophobicContact CZ3-CG1 4.18Å; W1501-F1565 HydrophobicContact CZ3-CE2 4.32Å |
| 1502 | K | 68.1 | Low | 63.8 | Low | 77.6 Ų | 77.6 | 53.6 Ų | 53.6 | 34% | 0.337 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 126.6 | 172.1 | -73.7 | 167.7 | 173.3 | 148.3 | 0 | 109.5 | R1465 E1500 G1504 Y1507 | R1465-K1502 HydrophobicContact CG-CG 4.42Å; E1500-K1502 VanDerWaalsContact CD-CE 3.42Å; E1500-K1502 VanDerWaalsContact CD-NZ 3.33Å; E1500-K1502 HydrophobicContact CG-CD 4.36Å; E1500-K1502 HydrophobicContact CG-CG 4.29Å; E1500-K1502 WeakPolarHBondContact OE1-CE 3.25Å; E1500-K1502 IonicContact OE1-NZ 3.33Å; E1500-K1502 PolarHBondContact OE1-NZ 3.09Å; E1500-K1502 VanDerWaalsContact OE2-CE 3.24Å; E1500-K1502 WeakPolarHBondContact OE2-CE 3.31Å; E1500-K1502 IonicContact OE2-NZ 3.57Å; E1500-K1502 PolarHBondContact OE2-NZ 3.08Å; K1502-G1504 PolarHBondContact O-N 3.16Å; K1502-Y1507 WeakPolarHBondContact O-CE1 3.37Å |
| 1503 | S | 64 | Low | 62.6 | Low | 18.6 Ų | 18.6 | 57.6 Ų | 57.6 | 13% | 0.13 | 26% | 0.26 | C | S | . | . | trans | -64.9 | 120.9 | 164.3 | -175.2 | 0 | 0 | 0 | 0 | 109.6 | S1284 G1464 K1505 Y1507 | S1284-S1503 PolarHBondContact OG-O 3.31Å; G1464-S1503 PolarHBondContact N-OG 2.92Å; G1464-S1503 WeakPolarHBondContact O-CB 3.44Å; G1464-S1503 PolarHBondContact O-N 3.07Å; G1464-S1503 PolarHBondContact O-OG 3.18Å; G1464-S1503 VanDerWaalsContact O-OG 3.13Å; S1503-K1505 PolarHBondContact O-N 3.23Å; S1503-Y1507 WeakPolarHBondContact OG-CE1 3.5Å | ||
| 1504 | G | 56.4 | Low | 61.4 | Low | 15.6 Ų | 15.6 | 59 Ų | 59 | 16% | 0.161 | 27% | 0.266 | C | S | . | . | S | Bend | trans | 154.8 | 177.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | K1502 Y1506 Y1574 | K1502-G1504 PolarHBondContact O-N 3.16Å; G1504-Y1506 CarbonylContact C-O 3.5Å; G1504-Y1506 CarbonylContact O-C 3.57Å; G1504-Y1506 PolarHBondContact O-N 3.07Å; G1504-Y1574 VanDerWaalsContact C-CE1 3.49Å; G1504-Y1574 WeakPolarHBondContact O-CD1 3.25Å; G1504-Y1574 VanDerWaalsContact O-CE1 3.26Å; G1504-Y1574 WeakPolarHBondContact O-CE1 3.4Å; G1504-Y1574 WeakPolarHBondContact O-CE2 3.39Å; G1504-Y1574 VanDerWaalsContact O-CZ 3.29Å; G1504-Y1574 PolarHBondContact O-OH 3.12Å; G1504-Y1574 VanDerWaalsContact O-OH 3.1Å |
| 1505 | K | 53.3 | Low | 60.3 | Low | 165.2 Ų | 165.2 | 60.7 Ų | 60.7 | 72% | 0.718 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -85.2 | -32.3 | 175.1 | -126 | 179.6 | -175.9 | -179.4 | 0 | 114.9 | S1503 Y1574 | S1503-K1505 PolarHBondContact O-N 3.23Å; K1505-Y1574 VanDerWaalsContact C-OH 3.32Å; K1505-Y1574 PolarHBondContact O-OH 2.82Å; K1505-Y1574 VanDerWaalsContact O-OH 3.12Å |
| 1506 | Y | 51.5 | Low | 59.2 | Low | 111.2 Ų | 111.2 | 57.2 Ų | 57.2 | 44% | 0.436 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -152.5 | 151.2 | 169.1 | -19.7 | -83.3 | 0 | 0 | 0 | 108.2 | G1504 D1508 R1564 D1566 | G1504-Y1506 CarbonylContact C-O 3.5Å; G1504-Y1506 CarbonylContact O-C 3.57Å; G1504-Y1506 PolarHBondContact O-N 3.07Å; Y1506-D1508 PolarHBondContact O-N 2.93Å; Y1506-R1564 HydrophobicContact CG-CG 4.49Å; Y1506-D1566 WeakPolarHBondContact CD1-OD1 3.03Å; Y1506-D1566 VanDerWaalsContact CE1-OD1 3.23Å; Y1506-D1566 WeakPolarHBondContact CE1-OD1 3.32Å |
| 1507 | Y | 55.6 | Low | 57.9 | Low | 18.2 Ų | 18.2 | 51.9 Ų | 51.9 | 7% | 0.071 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 112 | 166.6 | -58.9 | -71.6 | 0 | 0 | 0 | 107.9 | R1459 W1501 K1502 S1503 S1562 L1563 R1564 F1565 W1567 Y1574 | R1459-Y1507 VanDerWaalsContact CG-OH 3.29Å; R1459-Y1507 WeakPolarHBondContact CG-OH 3.5Å; W1501-Y1507 HydrophobicContact CB-CD1 4.3Å; W1501-Y1507 AromaticContact CD2-CD1 3.53Å; W1501-Y1507 HydrophobicContact CD2-CD1 3.8Å; W1501-Y1507 VanDerWaalsContact CD2-CD1 3.46Å; W1501-Y1507 AromaticContact CD2-CE1 3.17Å; W1501-Y1507 HydrophobicContact CD2-CE1 3.17Å; W1501-Y1507 HydrophobicContact CD2-CG 4.41Å; W1501-Y1507 AromaticContact CD2-CZ 3.73Å; W1501-Y1507 AromaticContact CE2-CD1 3.7Å; W1501-Y1507 VanDerWaalsContact CE2-CD1 3.5Å; W1501-Y1507 AromaticContact CE2-CE1 3.54Å; W1501-Y1507 VanDerWaalsContact CE2-CE1 3.48Å; W1501-Y1507 AromaticContact CE2-CZ 3.71Å; W1501-Y1507 AromaticContact CE3-CD1 3.32Å; W1501-Y1507 HydrophobicContact CE3-CD1 3.32Å; W1501-Y1507 VanDerWaalsContact CE3-CD1 3.42Å; W1501-Y1507 AromaticContact CE3-CD2 3.95Å; W1501-Y1507 HydrophobicContact CE3-CD2 4.17Å; W1501-Y1507 AromaticContact CE3-CE1 3.17Å; W1501-Y1507 HydrophobicContact CE3-CE1 3.17Å; W1501-Y1507 AromaticContact CE3-CE2 3.74Å; W1501-Y1507 HydrophobicContact CE3-CE2 4.01Å; W1501-Y1507 AromaticContact CE3-CG 3.86Å; W1501-Y1507 HydrophobicContact CE3-CG 3.86Å; W1501-Y1507 AromaticContact CE3-CZ 3.56Å; W1501-Y1507 AromaticContact CG-CD1 3.96Å; W1501-Y1507 HydrophobicContact CG-CD1 3.96Å; W1501-Y1507 AromaticContact CG-CE1 3.87Å; W1501-Y1507 HydrophobicContact CG-CE1 3.87Å; W1501-Y1507 AromaticContact CH2-CD1 3.82Å; W1501-Y1507 HydrophobicContact CH2-CD1 3.99Å; W1501-Y1507 AromaticContact CH2-CE1 3.66Å; W1501-Y1507 HydrophobicContact CH2-CE1 3.88Å; W1501-Y1507 AromaticContact CH2-CE2 3.59Å; W1501-Y1507 HydrophobicContact CH2-CE2 3.87Å; W1501-Y1507 HydrophobicContact CH2-CG 4.14Å; W1501-Y1507 AromaticContact CH2-CZ 3.25Å; W1501-Y1507 VanDerWaalsContact CH2-CZ 3.46Å; W1501-Y1507 VanDerWaalsContact CH2-OH 3.24Å; W1501-Y1507 WeakPolarHBondContact CH2-OH 3.4Å; W1501-Y1507 AromaticContact CZ2-CD1 3.26Å; W1501-Y1507 HydrophobicContact CZ2-CD1 3.26Å; W1501-Y1507 AromaticContact CZ2-CE1 3.66Å; W1501-Y1507 HydrophobicContact CZ2-CE1 3.66Å; W1501-Y1507 VanDerWaalsContact CZ2-CE1 3.42Å; W1501-Y1507 HydrophobicContact CZ2-CE2 4.37Å; W1501-Y1507 AromaticContact CZ2-CG 3.93Å; W1501-Y1507 HydrophobicContact CZ2-CG 4.04Å; W1501-Y1507 AromaticContact CZ2-CZ 3.58Å; W1501-Y1507 VanDerWaalsContact CZ2-CZ 3.4Å; W1501-Y1507 WeakPolarHBondContact CZ2-OH 3.41Å; W1501-Y1507 AromaticContact CZ3-CD1 3.89Å; W1501-Y1507 HydrophobicContact CZ3-CD1 4.09Å; W1501-Y1507 AromaticContact CZ3-CD2 3.78Å; W1501-Y1507 HydrophobicContact CZ3-CD2 4.02Å; W1501-Y1507 AromaticContact CZ3-CE1 3.42Å; W1501-Y1507 HydrophobicContact CZ3-CE1 3.42Å; W1501-Y1507 AromaticContact CZ3-CE2 3.52Å; W1501-Y1507 HydrophobicContact CZ3-CE2 3.52Å; W1501-Y1507 HydrophobicContact CZ3-CG 4.19Å; W1501-Y1507 AromaticContact CZ3-CZ 3.23Å; W1501-Y1507 VanDerWaalsContact CZ3-CZ 3.45Å; W1501-Y1507 WeakPolarHBondContact CZ3-OH 3.36Å; W1501-Y1507 AromaticContact NE1-CD1 3.88Å; W1501-Y1507 AromaticContact NE1-CE1 3.93Å; K1502-Y1507 WeakPolarHBondContact O-CE1 3.37Å; S1503-Y1507 WeakPolarHBondContact OG-CE1 3.5Å; Y1507-S1562 CarbonylContact O-C 3.52Å; Y1507-S1562 VanDerWaalsContact O-CA 3.31Å; Y1507-S1562 WeakPolarHBondContact O-CA 3.41Å; Y1507-S1562 PolarHBondContact O-OG 2.88Å; Y1507-L1563 WeakPolarHBondContact CB-O 3.42Å; Y1507-L1563 WeakPolarHBondContact CD2-O 3.19Å; Y1507-L1563 PolarHBondContact N-O 3.12Å; Y1507-L1563 PolarHBondContact O-N 3.08Å; Y1507-R1564 VanDerWaalsContact O-CA 3.3Å; Y1507-R1564 WeakPolarHBondContact O-CA 3.42Å; Y1507-F1565 HydrophobicContact CD2-CB 4.23Å; Y1507-F1565 AromaticContact CD2-CD2 3.38Å; Y1507-F1565 HydrophobicContact CD2-CD2 3.38Å; Y1507-F1565 VanDerWaalsContact CD2-CD2 3.43Å; Y1507-F1565 AromaticContact CD2-CE2 3.42Å; Y1507-F1565 HydrophobicContact CD2-CE2 3.42Å; Y1507-F1565 HydrophobicContact CD2-CG 4.39Å; Y1507-F1565 HydrophobicContact CD2-CZ 4.34Å; Y1507-F1565 HydrophobicContact CE2-CB 4.26Å; Y1507-F1565 HydrophobicContact CE2-CD1 4.48Å; Y1507-F1565 AromaticContact CE2-CD2 3.15Å; Y1507-F1565 HydrophobicContact CE2-CD2 3.15Å; Y1507-F1565 AromaticContact CE2-CE2 3.38Å; Y1507-F1565 HydrophobicContact CE2-CE2 3.38Å; Y1507-F1565 AromaticContact CE2-CG 3.77Å; Y1507-F1565 HydrophobicContact CE2-CG 3.77Å; Y1507-F1565 HydrophobicContact CE2-CZ 4.19Å; Y1507-F1565 PolarHBondContact N-O 2.86Å; Y1507-F1565 PolarHBondContact O-N 3.02Å; Y1507-W1567 AromaticContact CD2-CD1 3.69Å; Y1507-W1567 AromaticContact CD2-NE1 3.54Å; Y1507-W1567 AromaticContact CE2-CD1 3.65Å; Y1507-W1567 AromaticContact CE2-NE1 3.49Å; Y1507-Y1574 HydrophobicContact CD2-CE1 4.32Å; Y1507-Y1574 HydrophobicContact CE2-CD1 4.46Å; Y1507-Y1574 AromaticContact CE2-CE1 3.65Å; Y1507-Y1574 HydrophobicContact CE2-CE1 3.97Å; Y1507-Y1574 AromaticContact CZ-CE1 3.96Å |
| 1508 | D | 54.6 | Low | 56.7 | Low | 25.8 Ų | 25.8 | 53.8 Ų | 53.8 | 14% | 0.138 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 118.6 | -179.2 | -149.1 | -0.1 | 0 | 0 | 0 | 108.7 | E1500 Y1506 K1510 L1560 S1562 R1564 | E1500-D1508 PolarHBondContact N-O 3.26Å; E1500-D1508 PolarHBondContact O-N 3.17Å; Y1506-D1508 PolarHBondContact O-N 2.93Å; D1508-K1510 HydrophobicContact CB-CD 4.46Å; D1508-K1510 HydrophobicContact CB-CG 4.05Å; D1508-K1510 WeakPolarHBondContact OD2-CE 3.28Å; D1508-K1510 IonicContact OD2-NZ 3.09Å; D1508-L1560 VanDerWaalsContact OD1-CD1 3.25Å; D1508-L1560 WeakPolarHBondContact OD1-CD1 3.43Å; D1508-S1562 WeakPolarHBondContact OD1-CB 3.37Å; D1508-S1562 PolarHBondContact OD1-OG 3.02Å; D1508-R1564 HydrophobicContact CB-CG 4.36Å; D1508-R1564 IonicContact OD2-NE 3.01Å |
| 1509 | I | 57.2 | Low | 55.6 | Low | 16.4 Ų | 16.4 | 52.8 Ų | 52.8 | 8% | 0.084 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 109.7 | 172.2 | -53.5 | -178.7 | 0 | 0 | 0 | 107.1 | L1497 F1499 E1500 W1501 F1511 F1561 S1562 L1563 F1565 | L1497-I1509 HydrophobicContact CD1-CG2 3.44Å; F1499-I1509 HydrophobicContact CB-CG2 4.23Å; F1499-I1509 HydrophobicContact CD2-CB 4.47Å; F1499-I1509 HydrophobicContact CD2-CD1 3.76Å; F1499-I1509 HydrophobicContact CD2-CG1 3.74Å; F1499-I1509 HydrophobicContact CD2-CG2 3.75Å; F1499-I1509 HydrophobicContact CE2-CB 4.37Å; F1499-I1509 HydrophobicContact CE2-CD1 4.08Å; F1499-I1509 HydrophobicContact CE2-CG1 4.23Å; F1499-I1509 HydrophobicContact CE2-CG2 3.36Å; F1499-I1509 VanDerWaalsContact CE2-CG2 3.4Å; F1499-I1509 HydrophobicContact CG-CG2 4.43Å; F1499-I1509 HydrophobicContact CZ-CD1 4.42Å; F1499-I1509 HydrophobicContact CZ-CG1 4.36Å; F1499-I1509 HydrophobicContact CZ-CG2 4.25Å; E1500-I1509 WeakPolarHBondContact O-CA 3.46Å; W1501-I1509 HydrophobicContact CE3-CD1 4.07Å; W1501-I1509 HydrophobicContact CE3-CG1 3.88Å; W1501-I1509 HydrophobicContact CZ3-CD1 4.05Å; W1501-I1509 HydrophobicContact CZ3-CG1 4.18Å; I1509-F1511 HydrophobicContact CB-CE2 4.11Å; I1509-F1511 HydrophobicContact CB-CZ 4.15Å; I1509-F1511 HydrophobicContact CG2-CD2 4.16Å; I1509-F1511 HydrophobicContact CG2-CE1 4.36Å; I1509-F1511 HydrophobicContact CG2-CE2 3.39Å; I1509-F1511 VanDerWaalsContact CG2-CE2 3.45Å; I1509-F1511 HydrophobicContact CG2-CZ 3.57Å; I1509-F1511 VanDerWaalsContact CG2-CZ 3.41Å; I1509-F1511 WeakPolarHBondContact O-CD2 3.47Å; I1509-F1511 WeakPolarHBondContact O-CE2 3.2Å; I1509-F1561 WeakPolarHBondContact CA-O 3.42Å; I1509-F1561 HydrophobicContact CB-CB 4.32Å; I1509-F1561 HydrophobicContact CB-CD1 4.28Å; I1509-F1561 WeakPolarHBondContact CB-O 3.36Å; I1509-F1561 HydrophobicContact CD1-CD1 3.57Å; I1509-F1561 HydrophobicContact CD1-CE1 4Å; I1509-F1561 HydrophobicContact CG1-CD1 3.89Å; I1509-F1561 PolarHBondContact N-O 2.94Å; I1509-F1561 PolarHBondContact O-N 2.91Å; I1509-F1561 VanDerWaalsContact O-O 3.11Å; I1509-S1562 CarbonylContact O-C 3.41Å; I1509-S1562 WeakPolarHBondContact O-CA 3.34Å; I1509-L1563 HydrophobicContact CB-CB 4.32Å; I1509-L1563 HydrophobicContact CD1-CB 4.38Å; I1509-L1563 HydrophobicContact CD1-CD2 4.2Å; I1509-L1563 PolarHBondContact N-O 3.14Å; I1509-L1563 VanDerWaalsContact N-O 3.16Å; I1509-L1563 PolarHBondContact O-N 2.98Å; I1509-F1565 HydrophobicContact CD1-CE2 3.79Å; I1509-F1565 HydrophobicContact CD1-CZ 4.3Å; I1509-F1565 HydrophobicContact CG1-CE2 4.2Å |
| 1510 | K | 54.7 | Low | 54.1 | Low | 92.2 Ų | 92.2 | 51.6 Ų | 51.6 | 40% | 0.401 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 133.8 | 179.9 | -62.8 | -166.7 | 179.1 | -169.3 | 0 | 110.6 | L1498 E1500 D1508 P1512 L1560 F1561 | L1498-K1510 WeakPolarHBondContact CB-O 3.3Å; L1498-K1510 PolarHBondContact O-N 2.95Å; L1498-K1510 VanDerWaalsContact O-N 3.13Å; L1498-K1510 VanDerWaalsContact O-O 3.04Å; E1500-K1510 PolarHBondContact N-O 2.98Å; E1500-K1510 PolarHBondContact O-N 3.07Å; D1508-K1510 HydrophobicContact CB-CD 4.46Å; D1508-K1510 HydrophobicContact CB-CG 4.05Å; D1508-K1510 WeakPolarHBondContact OD2-CE 3.28Å; D1508-K1510 IonicContact OD2-NZ 3.09Å; K1510-P1512 WeakPolarHBondContact O-CD 3.38Å; K1510-L1560 HydrophobicContact CB-CD1 4.23Å; K1510-L1560 HydrophobicContact CD-CD1 4.28Å; K1510-L1560 HydrophobicContact CG-CD1 3.78Å; K1510-F1561 WeakPolarHBondContact CA-O 3.39Å |
| 1511 | F | 57 | Low | 52.8 | Low | 13.4 Ų | 13.4 | 54.8 Ų | 54.8 | 6% | 0.059 | 25% | 0.25 | C | C | . | . | trans | -116 | 94.5 | 175.3 | -59.5 | -91.7 | 0 | 0 | 0 | 108.8 | W1494 L1497 L1498 F1499 I1509 R1513 H1514 L1558 F1559 L1560 F1561 | W1494-F1511 HydrophobicContact CB-CE1 4.09Å; W1494-F1511 AromaticContact CD1-CE1 3.34Å; W1494-F1511 AromaticContact CD1-CZ 3.12Å; W1494-F1511 AromaticContact CG-CE1 3.99Å; W1494-F1511 HydrophobicContact CG-CE1 4.1Å; W1494-F1511 HydrophobicContact CG-CZ 4.02Å; W1494-F1511 HydrophobicContact CH2-CD2 4.08Å; W1494-F1511 HydrophobicContact CH2-CE2 4.32Å; W1494-F1511 HydrophobicContact CH2-CG 4.24Å; W1494-F1511 HydrophobicContact CZ2-CE2 4.37Å; W1494-F1511 HydrophobicContact CZ2-CZ 4.48Å; W1494-F1511 HydrophobicContact CZ3-CB 4.18Å; W1494-F1511 HydrophobicContact CZ3-CD2 4.44Å; W1494-F1511 HydrophobicContact CZ3-CG 4.14Å; W1494-F1511 AromaticContact NE1-CZ 3.59Å; L1497-F1511 HydrophobicContact CB-CE1 4.46Å; L1497-F1511 HydrophobicContact CD1-CD1 3.68Å; L1497-F1511 VanDerWaalsContact CD1-CD1 3.42Å; L1497-F1511 HydrophobicContact CD1-CE1 3.55Å; L1497-F1511 VanDerWaalsContact CD1-CE1 3.45Å; L1497-F1511 HydrophobicContact CD1-CE2 4.2Å; L1497-F1511 HydrophobicContact CD1-CG 4.25Å; L1497-F1511 HydrophobicContact CD1-CZ 3.54Å; L1497-F1511 HydrophobicContact CD2-CD1 4.45Å; L1497-F1511 HydrophobicContact CD2-CE1 4.14Å; L1497-F1511 HydrophobicContact CG-CD1 4.12Å; L1497-F1511 HydrophobicContact CG-CE1 4.2Å; L1498-F1511 WeakPolarHBondContact O-CD1 3.15Å; F1499-F1511 HydrophobicContact CB-CD1 4.41Å; F1499-F1511 HydrophobicContact CB-CE1 4.02Å; F1499-F1511 HydrophobicContact CD2-CD1 4.5Å; F1499-F1511 AromaticContact CD2-CE1 3.66Å; F1499-F1511 HydrophobicContact CD2-CE1 3.66Å; F1499-F1511 AromaticContact CD2-CZ 3.79Å; F1499-F1511 HydrophobicContact CD2-CZ 3.79Å; F1499-F1511 HydrophobicContact CE2-CZ 4.42Å; F1499-F1511 HydrophobicContact CG-CE1 4.34Å; I1509-F1511 HydrophobicContact CB-CE2 4.11Å; I1509-F1511 HydrophobicContact CB-CZ 4.15Å; I1509-F1511 HydrophobicContact CG2-CD2 4.16Å; I1509-F1511 HydrophobicContact CG2-CE1 4.36Å; I1509-F1511 HydrophobicContact CG2-CE2 3.39Å; I1509-F1511 VanDerWaalsContact CG2-CE2 3.45Å; I1509-F1511 HydrophobicContact CG2-CZ 3.57Å; I1509-F1511 VanDerWaalsContact CG2-CZ 3.41Å; I1509-F1511 WeakPolarHBondContact O-CD2 3.47Å; I1509-F1511 WeakPolarHBondContact O-CE2 3.2Å; F1511-R1513 VanDerWaalsContact C-N 3.29Å; F1511-R1513 PolarHBondContact O-N 2.91Å; F1511-H1514 VanDerWaalsContact CB-CD2 3.46Å; F1511-H1514 WeakPolarHBondContact CB-CD2 3.46Å; F1511-L1558 WeakPolarHBondContact O-CD2 3.11Å; F1511-F1559 HydrophobicContact CB-CB 4.21Å; F1511-F1559 HydrophobicContact CB-CD2 4.45Å; F1511-F1559 HydrophobicContact CB-CE2 3.6Å; F1511-F1559 HydrophobicContact CB-CZ 4.28Å; F1511-F1559 VanDerWaalsContact CB-O 3.29Å; F1511-F1559 WeakPolarHBondContact CB-O 3.38Å; F1511-F1559 HydrophobicContact CD1-CD1 4.19Å; F1511-F1559 HydrophobicContact CD2-CB 4.24Å; F1511-F1559 AromaticContact CD2-CD1 3.51Å; F1511-F1559 HydrophobicContact CD2-CD1 3.51Å; F1511-F1559 HydrophobicContact CD2-CE1 4.36Å; F1511-F1559 HydrophobicContact CD2-CG 4.36Å; F1511-F1559 VanDerWaalsContact CD2-O 3.25Å; F1511-F1559 WeakPolarHBondContact CD2-O 3.38Å; F1511-F1559 HydrophobicContact CE1-CD1 4.08Å; F1511-F1559 AromaticContact CE2-CD1 3.39Å; F1511-F1559 HydrophobicContact CE2-CD1 3.39Å; F1511-F1559 VanDerWaalsContact CE2-CD1 3.41Å; F1511-F1559 AromaticContact CE2-CE1 3.79Å; F1511-F1559 HydrophobicContact CE2-CE1 3.79Å; F1511-F1559 HydrophobicContact CG-CB 4.24Å; F1511-F1559 AromaticContact CG-CD1 3.94Å; F1511-F1559 HydrophobicContact CG-CD1 4.19Å; F1511-F1559 HydrophobicContact CG-CE2 4.32Å; F1511-F1559 AromaticContact CZ-CD1 3.7Å; F1511-F1559 HydrophobicContact CZ-CD1 3.99Å; F1511-F1559 AromaticContact CZ-CE1 3.87Å; F1511-F1559 HydrophobicContact CZ-CE1 3.87Å; F1511-F1559 PolarHBondContact N-O 3.11Å; F1511-L1560 WeakPolarHBondContact O-CA 3.36Å; F1511-F1561 HydrophobicContact CB-CB 4.25Å; F1511-F1561 HydrophobicContact CD2-CB 3.68Å; F1511-F1561 AromaticContact CD2-CD1 3.34Å; F1511-F1561 HydrophobicContact CD2-CD1 3.34Å; F1511-F1561 VanDerWaalsContact CD2-CD1 3.48Å; F1511-F1561 HydrophobicContact CD2-CE1 4.21Å; F1511-F1561 AromaticContact CD2-CG 3.83Å; F1511-F1561 HydrophobicContact CD2-CG 3.83Å; F1511-F1561 WeakPolarHBondContact CD2-O 3.15Å; F1511-F1561 HydrophobicContact CE2-CB 4.28Å; F1511-F1561 AromaticContact CE2-CD1 3.33Å; F1511-F1561 HydrophobicContact CE2-CD1 3.33Å; F1511-F1561 AromaticContact CE2-CE1 3.72Å; F1511-F1561 HydrophobicContact CE2-CE1 3.72Å; F1511-F1561 VanDerWaalsContact CE2-CE1 3.47Å; F1511-F1561 AromaticContact CE2-CG 3.93Å; F1511-F1561 HydrophobicContact CE2-CG 4.15Å; F1511-F1561 HydrophobicContact CE2-CZ 4.43Å; F1511-F1561 HydrophobicContact CG-CB 4.39Å; F1511-F1561 HydrophobicContact CZ-CD1 4.47Å; F1511-F1561 PolarHBondContact N-O 2.95Å; F1511-F1561 VanDerWaalsContact N-O 3.13Å; F1511-F1561 PolarHBondContact O-N 3.3Å | ||
| 1512 | P | 50.1 | Low | 51.2 | Low | 60.4 Ų | 60.4 | 54.1 Ų | 54.1 | 39% | 0.392 | 25% | 0.248 | S | C | . | . | trans | -78.3 | -9.2 | -174.7 | 28.8 | -33.5 | 0 | 0 | 0 | 113.9 | L1498 K1510 H1514 L1558 F1559 | L1498-P1512 HydrophobicContact CB-CG 4.46Å; L1498-P1512 HydrophobicContact CD2-CG 3.9Å; L1498-P1512 HydrophobicContact CG-CG 4.25Å; L1498-P1512 WeakPolarHBondContact O-CD 3.38Å; K1510-P1512 WeakPolarHBondContact O-CD 3.38Å; P1512-H1514 VanDerWaalsContact CD-NE2 3.29Å; P1512-H1514 WeakPolarHBondContact CD-NE2 3.29Å; P1512-H1514 PolarHBondContact O-CD2 3.47Å; P1512-H1514 PolarHBondContact O-NE2 3.18Å; P1512-L1558 WeakPolarHBondContact O-CD2 3.29Å; P1512-F1559 CarbonylContact C-O 3.58Å | ||
| 1513 | R | 46.8 | Very low | 49.6 | Very low | 172.2 Ų | 172.2 | 56.3 Ų | 56.3 | 65% | 0.65 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -168.2 | 93.7 | 178.3 | -62.1 | -174.2 | 170 | 160.5 | -3.7 | 114.7 | Y1407 F1511 L1558 F1559 | Y1407-R1513 PolarHBondContact OH-NH1 3.31Å; F1511-R1513 VanDerWaalsContact C-N 3.29Å; F1511-R1513 PolarHBondContact O-N 2.91Å; R1513-L1558 WeakPolarHBondContact CA-O 3.2Å; R1513-L1558 HydrophobicContact CB-CD2 4.06Å; R1513-L1558 HydrophobicContact CG-CD2 3.97Å; R1513-L1558 PolarHBondContact N-O 2.84Å; R1513-F1559 PolarHBondContact N-O 2.84Å |
| 1514 | H | 49.9 | Very low | 48.2 | Very low | 40.6 Ų | 40.6 | 58 Ų | 58 | 19% | 0.188 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.9 | 166.7 | 175.8 | -52.5 | -67.2 | 0 | 0 | 0 | 117.1 | K1496 L1497 L1498 F1511 P1512 L1516 S1557 L1558 F1559 | K1496-H1514 VanDerWaalsContact C-ND1 3.28Å; K1496-H1514 HydrophobicContact CD-CB 4.27Å; K1496-H1514 VanDerWaalsContact CD-CD2 3.43Å; K1496-H1514 WeakPolarHBondContact CD-CD2 3.27Å; K1496-H1514 PolarHBondContact NZ-CD2 2.85Å; K1496-H1514 VanDerWaalsContact NZ-CD2 3.33Å; K1496-H1514 PolarHBondContact NZ-NE2 3.05Å; K1496-H1514 PolarHBondContact O-CD2 3.29Å; K1496-H1514 PolarHBondContact O-CE1 3.04Å; K1496-H1514 VanDerWaalsContact O-CE1 3.23Å; K1496-H1514 PolarHBondContact O-ND1 3.04Å; K1496-H1514 PolarHBondContact O-NE2 2.88Å; L1497-H1514 VanDerWaalsContact C-CE1 3.44Å; L1497-H1514 VanDerWaalsContact CA-ND1 3.29Å; L1497-H1514 WeakPolarHBondContact CA-ND1 3.39Å; L1498-H1514 PolarHBondContact N-CE1 3.24Å; L1498-H1514 PolarHBondContact N-ND1 3.29Å; L1498-H1514 PolarHBondContact N-NE2 3.1Å; L1498-H1514 PolarHBondContact O-NE2 3.23Å; F1511-H1514 VanDerWaalsContact CB-CD2 3.46Å; F1511-H1514 WeakPolarHBondContact CB-CD2 3.46Å; P1512-H1514 VanDerWaalsContact CD-NE2 3.29Å; P1512-H1514 WeakPolarHBondContact CD-NE2 3.29Å; P1512-H1514 PolarHBondContact O-CD2 3.47Å; P1512-H1514 PolarHBondContact O-NE2 3.18Å; H1514-L1516 PolarHBondContact O-N 3.26Å; H1514-S1557 VanDerWaalsContact O-O 3.04Å; H1514-L1558 PolarHBondContact N-O 2.85Å; H1514-L1558 VanDerWaalsContact O-CB 3.28Å; H1514-L1558 WeakPolarHBondContact O-CB 3.46Å; H1514-L1558 PolarHBondContact O-N 3.48Å; H1514-F1559 HydrophobicContact CB-CD1 4.35Å; H1514-F1559 HydrophobicContact CB-CE1 3.36Å; H1514-F1559 HydrophobicContact CB-CZ 3.59Å; H1514-F1559 WeakPolarHBondContact O-CD1 3.46Å; H1514-F1559 WeakPolarHBondContact O-CD2 3.45Å; H1514-F1559 WeakPolarHBondContact O-CE1 3.3Å |
| 1515 | H | 47.6 | Very low | 46.9 | Very low | 51 Ų | 51 | 61.2 Ų | 61.2 | 24% | 0.236 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 120.7 | -172.1 | -57.1 | -93.7 | 0 | 0 | 0 | 110.8 | W1494 E1495 R1554 V1555 E1556 | W1494-H1515 WeakPolarHBondContact CA-O 3.37Å; E1495-H1515 HydrophobicContact CB-CB 4.44Å; E1495-H1515 PolarHBondContact N-O 2.97Å; E1495-H1515 VanDerWaalsContact N-O 3.11Å; E1495-H1515 PolarHBondContact O-N 3.02Å; E1495-H1515 IonicContact OE2-CD2 3.24Å; H1515-R1554 PolarHBondContact CE1-NH2 3.28Å; H1515-R1554 PolarHBondContact ND1-NE 3.46Å; H1515-R1554 PolarHBondContact ND1-NH2 3.35Å; H1515-R1554 PolarHBondContact NE2-NH2 3.29Å; H1515-R1554 VanDerWaalsContact NE2-NH2 3.16Å; H1515-V1555 CarbonylContact C-O 3.46Å; H1515-V1555 VanDerWaalsContact CA-O 3.27Å; H1515-V1555 WeakPolarHBondContact CA-O 3.29Å; H1515-V1555 WeakPolarHBondContact CB-O 3.46Å; H1515-V1555 PolarHBondContact ND1-O 2.58Å; H1515-E1556 PolarHBondContact CE1-O 3.18Å; H1515-E1556 VanDerWaalsContact CE1-O 3.31Å; H1515-E1556 IonicContact CE1-OE1 2.9Å; H1515-E1556 PolarHBondContact CE1-OE1 2.66Å; H1515-E1556 IonicContact CE1-OE2 3.2Å; H1515-E1556 PolarHBondContact CE1-OE2 3.08Å; H1515-E1556 VanDerWaalsContact ND1-CA 3.31Å; H1515-E1556 WeakPolarHBondContact ND1-CA 3.34Å; H1515-E1556 WeakPolarHBondContact ND1-CB 3.48Å; H1515-E1556 WeakPolarHBondContact ND1-CG 3.29Å; H1515-E1556 PolarHBondContact ND1-O 3.16Å; H1515-E1556 VanDerWaalsContact ND1-O 3.16Å; H1515-E1556 IonicContact ND1-OE1 3.38Å; H1515-E1556 PolarHBondContact ND1-OE1 2.89Å; H1515-E1556 VanDerWaalsContact ND1-OE1 3.1Å; H1515-E1556 IonicContact ND1-OE2 3Å |
| 1516 | L | 46.1 | Very low | 45.7 | Very low | 14.8 Ų | 14.8 | 61.2 Ų | 61.2 | 8% | 0.077 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 123.1 | 165 | 169.9 | 60.6 | 0 | 0 | 0 | 108 | T1493 W1494 H1514 L1518 F1553 R1554 V1555 L1558 F1559 | T1493-L1516 WeakPolarHBondContact O-CD1 3.34Å; W1494-L1516 VanDerWaalsContact CD1-CD1 3.49Å; W1494-L1516 HydrophobicContact CD2-CB 4.4Å; W1494-L1516 HydrophobicContact CD2-CD1 4Å; W1494-L1516 HydrophobicContact CE3-CB 3.86Å; W1494-L1516 HydrophobicContact CE3-CD1 3.91Å; W1494-L1516 HydrophobicContact CE3-CG 4.35Å; W1494-L1516 HydrophobicContact CG-CD1 4.15Å; W1494-L1516 HydrophobicContact CH2-CB 4.2Å; W1494-L1516 HydrophobicContact CH2-CD1 3.87Å; W1494-L1516 HydrophobicContact CH2-CD2 3.63Å; W1494-L1516 HydrophobicContact CH2-CG 4.09Å; W1494-L1516 HydrophobicContact CZ2-CD1 3.77Å; W1494-L1516 HydrophobicContact CZ2-CD2 3.93Å; W1494-L1516 HydrophobicContact CZ2-CG 4.22Å; W1494-L1516 HydrophobicContact CZ3-CB 3.75Å; W1494-L1516 HydrophobicContact CZ3-CD1 4.04Å; W1494-L1516 HydrophobicContact CZ3-CD2 4.07Å; W1494-L1516 HydrophobicContact CZ3-CG 4.15Å; W1494-L1516 VanDerWaalsContact NE1-CD1 3.34Å; H1514-L1516 PolarHBondContact O-N 3.26Å; L1516-L1518 HydrophobicContact CD1-CD1 4.22Å; L1516-L1518 HydrophobicContact CD1-CD2 3.76Å; L1516-L1518 HydrophobicContact CD1-CG 4.35Å; L1516-L1518 HydrophobicContact CD2-CD1 4.05Å; L1516-L1518 HydrophobicContact CD2-CD2 4.3Å; L1516-L1518 HydrophobicContact CD2-CG 4.47Å; L1516-L1518 HydrophobicContact CG-CD1 4.17Å; L1516-L1518 HydrophobicContact CG-CD2 4.13Å; L1516-L1518 HydrophobicContact CG-CG 4.38Å; L1516-F1553 HydrophobicContact CD2-CD1 4.29Å; L1516-F1553 HydrophobicContact CD2-CE1 3.96Å; L1516-F1553 HydrophobicContact CG-CD1 4.49Å; L1516-F1553 VanDerWaalsContact O-O 3.11Å; L1516-R1554 WeakPolarHBondContact O-CA 3.32Å; L1516-V1555 HydrophobicContact CB-CB 4.25Å; L1516-V1555 HydrophobicContact CB-CG2 4.18Å; L1516-V1555 HydrophobicContact CD2-CG2 4.17Å; L1516-V1555 HydrophobicContact CG-CG2 4.1Å; L1516-V1555 PolarHBondContact N-O 3.07Å; L1516-V1555 WeakPolarHBondContact O-CA 3.5Å; L1516-V1555 WeakPolarHBondContact O-CB 3.36Å; L1516-V1555 PolarHBondContact O-N 3Å; L1516-L1558 HydrophobicContact CB-CD1 3.88Å; L1516-L1558 HydrophobicContact CD2-CD1 3.52Å; L1516-L1558 HydrophobicContact CG-CD1 4.34Å; L1516-F1559 HydrophobicContact CB-CD1 3.92Å; L1516-F1559 HydrophobicContact CB-CD2 4.16Å; L1516-F1559 HydrophobicContact CB-CE1 3.93Å; L1516-F1559 VanDerWaalsContact CB-CE1 3.44Å; L1516-F1559 HydrophobicContact CB-CE2 3.77Å; L1516-F1559 HydrophobicContact CB-CZ 3.92Å; L1516-F1559 HydrophobicContact CD2-CD1 4.37Å; L1516-F1559 HydrophobicContact CD2-CD2 4.21Å; L1516-F1559 HydrophobicContact CD2-CE1 3.97Å; L1516-F1559 HydrophobicContact CD2-CE2 3.85Å; L1516-F1559 HydrophobicContact CD2-CZ 3.82Å |
| 1517 | C | 43.9 | Very low | 44.5 | Very low | 20 Ų | 20 | 62.9 Ų | 62.9 | 14% | 0.135 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 110.1 | 171.2 | -171.3 | 0 | 0 | 0 | 0 | 109.2 | T1493 I1519 F1553 R1554 | T1493-C1517 WeakPolarHBondContact CA-O 3.47Å; T1493-C1517 WeakPolarHBondContact CB-O 3.42Å; T1493-C1517 PolarHBondContact N-O 3Å; T1493-C1517 PolarHBondContact O-N 3.18Å; T1493-C1517 VanDerWaalsContact O-O 3.1Å; T1493-C1517 VanDerWaalsContact OG1-CB 3.27Å; T1493-C1517 WeakPolarHBondContact OG1-CB 3.38Å; T1493-C1517 PolarHBondContact OG1-O 3.19Å; C1517-I1519 HydrophobicContact CB-CG1 4.44Å; C1517-I1519 VanDerWaalsContact SG-CG1 3.52Å; C1517-I1519 WeakPolarHBondContact SG-CG1 3.38Å; C1517-F1553 CarbonylContact C-O 3.52Å; C1517-F1553 VanDerWaalsContact CA-O 3.24Å; C1517-F1553 WeakPolarHBondContact CA-O 3.42Å; C1517-R1554 HydrophobicContact CB-CG 4.47Å |
| 1518 | L | 43.9 | Very low | 43 | Very low | 40.2 Ų | 40.2 | 68.4 Ų | 68.4 | 21% | 0.21 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 125.4 | 169 | -77.5 | 139.1 | 0 | 0 | 0 | 107.9 | L1490 E1491 W1492 L1516 S1551 Q1552 F1553 | L1490-L1518 HydrophobicContact CD1-CD2 3.93Å; L1490-L1518 HydrophobicContact CD1-CG 4.13Å; E1491-L1518 WeakPolarHBondContact O-CA 3.28Å; W1492-L1518 HydrophobicContact CB-CD2 3.94Å; W1492-L1518 HydrophobicContact CD2-CD2 4.22Å; W1492-L1518 HydrophobicContact CG-CD1 4.12Å; W1492-L1518 HydrophobicContact CG-CD2 3.75Å; W1492-L1518 HydrophobicContact CG-CG 4.29Å; W1492-L1518 VanDerWaalsContact NE1-CD2 3.3Å; L1516-L1518 HydrophobicContact CD1-CD1 4.22Å; L1516-L1518 HydrophobicContact CD1-CD2 3.76Å; L1516-L1518 HydrophobicContact CD1-CG 4.35Å; L1516-L1518 HydrophobicContact CD2-CD1 4.05Å; L1516-L1518 HydrophobicContact CD2-CD2 4.3Å; L1516-L1518 HydrophobicContact CD2-CG 4.47Å; L1516-L1518 HydrophobicContact CG-CD1 4.17Å; L1516-L1518 HydrophobicContact CG-CD2 4.13Å; L1516-L1518 HydrophobicContact CG-CG 4.38Å; L1518-S1551 VanDerWaalsContact O-O 3.09Å; L1518-Q1552 CarbonylContact O-C 3.36Å; L1518-Q1552 VanDerWaalsContact O-CA 3.3Å; L1518-Q1552 WeakPolarHBondContact O-CA 3.42Å; L1518-F1553 HydrophobicContact CB-CB 3.84Å; L1518-F1553 HydrophobicContact CB-CD1 4.27Å; L1518-F1553 HydrophobicContact CB-CD2 4.21Å; L1518-F1553 HydrophobicContact CB-CG 4.33Å; L1518-F1553 HydrophobicContact CD1-CB 3.9Å; L1518-F1553 HydrophobicContact CD1-CD1 3.76Å; L1518-F1553 HydrophobicContact CD1-CD2 4.46Å; L1518-F1553 HydrophobicContact CD1-CE1 4.23Å; L1518-F1553 HydrophobicContact CD1-CG 4.15Å; L1518-F1553 HydrophobicContact CD2-CD2 4.22Å; L1518-F1553 HydrophobicContact CG-CB 4.27Å; L1518-F1553 HydrophobicContact CG-CD1 3.92Å; L1518-F1553 HydrophobicContact CG-CE1 4.43Å; L1518-F1553 HydrophobicContact CG-CG 4.34Å; L1518-F1553 PolarHBondContact N-O 2.97Å; L1518-F1553 PolarHBondContact O-N 3.24Å; L1518-F1553 VanDerWaalsContact O-N 3.16Å |
| 1519 | I | 47.1 | Very low | 41.5 | Very low | 18 Ų | 18 | 76.2 Ų | 76.2 | 9% | 0.092 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 119.2 | 178.7 | -50.1 | 179.2 | 0 | 0 | 0 | 108.4 | E1491 T1493 C1517 R1521 S1551 Q1552 | E1491-I1519 WeakPolarHBondContact CA-O 3.28Å; E1491-I1519 WeakPolarHBondContact CB-O 3.47Å; E1491-I1519 PolarHBondContact N-O 3.17Å; E1491-I1519 PolarHBondContact O-N 2.97Å; T1493-I1519 HydrophobicContact CG2-CD1 4.37Å; C1517-I1519 HydrophobicContact CB-CG1 4.44Å; C1517-I1519 VanDerWaalsContact SG-CG1 3.52Å; C1517-I1519 WeakPolarHBondContact SG-CG1 3.38Å; I1519-R1521 HydrophobicContact CB-CG 4.35Å; I1519-R1521 HydrophobicContact CG2-CG 3.61Å; I1519-R1521 PolarHBondContact O-N 3.12Å; I1519-S1551 WeakPolarHBondContact CA-O 3.2Å; I1519-Q1552 HydrophobicContact CG1-CG 4.29Å |
| 1520 | C | 42.3 | Very low | 39.9 | Very low | 15.6 Ų | 15.6 | 81.6 Ų | 81.6 | 11% | 0.105 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 107.1 | 167.2 | -57.1 | 0 | 0 | 0 | 0 | 107.9 | C1550 S1551 W1636 | C1520-C1550 CarbonylContact C-O 3.53Å; C1520-C1550 WeakPolarHBondContact CA-O 3.33Å; C1520-C1550 HydrophobicContact CB-CB 3.79Å; C1520-C1550 WeakPolarHBondContact CB-O 3.38Å; C1520-C1550 PolarHBondContact N-O 3.21Å; C1520-C1550 CarbonylContact O-C 3.52Å; C1520-C1550 WeakPolarHBondContact O-CA 3.49Å; C1520-C1550 VanDerWaalsContact O-CB 3.3Å; C1520-C1550 WeakPolarHBondContact O-CB 3.15Å; C1520-C1550 PolarHBondContact O-N 3.11Å; C1520-S1551 VanDerWaalsContact CB-OG 3.3Å; C1520-S1551 WeakPolarHBondContact CB-OG 3.43Å; C1520-S1551 PolarHBondContact N-O 2.97Å; C1520-S1551 PolarHBondContact SG-OG 3.23Å; C1520-S1551 VanDerWaalsContact SG-OG 3.4Å; C1520-W1636 HydrophobicContact CB-CE3 4.28Å; C1520-W1636 HydrophobicContact CB-CH2 4.02Å; C1520-W1636 HydrophobicContact CB-CZ2 4.39Å; C1520-W1636 HydrophobicContact CB-CZ3 4.04Å; C1520-W1636 VanDerWaalsContact SG-CH2 3.57Å; C1520-W1636 VanDerWaalsContact SG-CZ3 3.53Å; C1520-W1636 WeakPolarHBondContact SG-CZ3 3.42Å |
| 1521 | R | 44.4 | Very low | 38.4 | Very low | 95 Ų | 95 | 88.6 Ų | 88.6 | 36% | 0.358 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 130.6 | 179.8 | -71.1 | -168.5 | 170.5 | 145.3 | -1.9 | 110.5 | T1487 E1488 Q1489 E1491 I1519 | T1487-R1521 CarbonylContact O-C 3.46Å; T1487-R1521 VanDerWaalsContact O-C 3.28Å; E1488-R1521 WeakPolarHBondContact CA-O 3.42Å; Q1489-R1521 HydrophobicContact CG-CB 4.16Å; Q1489-R1521 VanDerWaalsContact CG-O 3.22Å; Q1489-R1521 WeakPolarHBondContact CG-O 3.5Å; Q1489-R1521 PolarHBondContact N-O 3.1Å; Q1489-R1521 VanDerWaalsContact N-O 3.11Å; Q1489-R1521 PolarHBondContact O-N 3.13Å; E1491-R1521 IonicContact OE1-NH1 3.27Å; E1491-R1521 PolarHBondContact OE1-NH1 3.2Å; E1491-R1521 WeakPolarHBondContact OE2-CD 3.23Å; E1491-R1521 IonicContact OE2-CZ 3.64Å; E1491-R1521 IonicContact OE2-NE 3.35Å; E1491-R1521 PolarHBondContact OE2-NE 2.91Å; E1491-R1521 IonicContact OE2-NH1 2.95Å; E1491-R1521 PolarHBondContact OE2-NH1 3.08Å; E1491-R1521 IonicContact OE2-NH2 3.74Å; I1519-R1521 HydrophobicContact CB-CG 4.35Å; I1519-R1521 HydrophobicContact CG2-CG 3.61Å; I1519-R1521 PolarHBondContact O-N 3.12Å |
| 1522 | K | 39.8 | Very low | 36.7 | Very low | 53.4 Ų | 53.4 | 99 Ų | 99 | 23% | 0.232 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 99.2 | 153.7 | -168.6 | 160.4 | -173.2 | 165.2 | 0 | 108.1 | T1487 E1488 A1524 T1546 F1547 F1548 V1549 | T1487-K1522 CarbonylContact O-C 3.57Å; T1487-K1522 VanDerWaalsContact O-CA 3.25Å; T1487-K1522 WeakPolarHBondContact O-CA 3.37Å; T1487-K1522 WeakPolarHBondContact O-CB 3.42Å; T1487-K1522 WeakPolarHBondContact O-CD 3.28Å; T1487-K1522 WeakPolarHBondContact O-CE 3.45Å; T1487-K1522 WeakPolarHBondContact O-CG 3.45Å; T1487-K1522 WeakPolarHBondContact OG1-CE 3.37Å; T1487-K1522 PolarHBondContact OG1-NZ 3.1Å; E1488-K1522 HydrophobicContact CG-CB 4.39Å; E1488-K1522 HydrophobicContact CG-CD 4.14Å; E1488-K1522 HydrophobicContact CG-CG 4.24Å; E1488-K1522 WeakPolarHBondContact OE1-CD 3.32Å; E1488-K1522 VanDerWaalsContact OE1-CE 3.27Å; E1488-K1522 WeakPolarHBondContact OE1-CE 3.33Å; E1488-K1522 IonicContact OE1-NZ 3.36Å; E1488-K1522 PolarHBondContact OE1-NZ 3.17Å; K1522-A1524 PolarHBondContact O-N 3.26Å; K1522-T1546 WeakPolarHBondContact CD-O 3.46Å; K1522-T1546 WeakPolarHBondContact CE-O 3.32Å; K1522-T1546 VanDerWaalsContact NZ-C 3.33Å; K1522-T1546 PolarHBondContact NZ-O 3.15Å; K1522-T1546 PolarHBondContact NZ-OG1 3.15Å; K1522-F1547 HydrophobicContact CD-CB 4.13Å; K1522-F1548 WeakPolarHBondContact CA-O 3.3Å; K1522-F1548 HydrophobicContact CB-CB 4.05Å; K1522-F1548 WeakPolarHBondContact CB-O 3.41Å; K1522-F1548 HydrophobicContact CD-CB 4.35Å; K1522-F1548 HydrophobicContact CD-CD1 4.38Å; K1522-F1548 HydrophobicContact CD-CD2 4.46Å; K1522-F1548 HydrophobicContact CD-CG 4.22Å; K1522-F1548 HydrophobicContact CG-CB 4.27Å; K1522-F1548 HydrophobicContact CG-CD2 4.45Å; K1522-F1548 HydrophobicContact CG-CG 4.31Å; K1522-F1548 PolarHBondContact N-O 2.99Å; K1522-F1548 VanDerWaalsContact O-O 3.07Å; K1522-V1549 HydrophobicContact CB-CG2 4.43Å; K1522-V1549 WeakPolarHBondContact O-CG2 3.29Å |
| 1523 | R | 35.9 | Very low | 35.4 | Very low | 124.6 Ų | 124.6 | 103.4 Ų | 103.4 | 47% | 0.47 | 50% | 0.496 | S | S | . | . | trans | -71.4 | 133.9 | 170.7 | -98 | -179.4 | 179.2 | 157.3 | -1.4 | 108.8 | D1486 T1487 A1525 E1526 | D1486-R1523 IonicContact OD2-CZ 2.62Å; D1486-R1523 IonicContact OD2-NH1 3.73Å; D1486-R1523 PolarHBondContact OD2-NH1 2.85Å; T1487-R1523 WeakPolarHBondContact CA-O 3.36Å; T1487-R1523 VanDerWaalsContact CB-O 3.24Å; T1487-R1523 WeakPolarHBondContact CB-O 3.35Å; T1487-R1523 HydrophobicContact CG2-CB 4.11Å; T1487-R1523 WeakPolarHBondContact CG2-O 3.27Å; T1487-R1523 PolarHBondContact O-N 3.02Å; T1487-R1523 VanDerWaalsContact O-N 3.08Å; R1523-A1525 PolarHBondContact O-N 2.81Å; R1523-E1526 IonicContact CZ-OE2 2.73Å; R1523-E1526 IonicContact NE-OE2 2.66Å; R1523-E1526 PolarHBondContact NE-OE2 3Å; R1523-E1526 IonicContact NH2-OE1 2.69Å; R1523-E1526 IonicContact NH2-OE2 3.94Å; R1523-E1526 PolarHBondContact NH2-OE2 3.46Å | ||
| 1524 | A | 33.4 | Very low | 34.2 | Very low | 54.8 Ų | 54.8 | 102.2 Ų | 102.2 | 45% | 0.453 | 50% | 0.501 | S | S | . | . | trans | -81.9 | 132.1 | 157.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | K1522 E1526 F1547 H2294 | K1522-A1524 PolarHBondContact O-N 3.26Å; A1524-E1526 VanDerWaalsContact C-N 3.31Å; A1524-E1526 PolarHBondContact O-N 2.92Å; A1524-E1526 VanDerWaalsContact O-N 3.13Å; A1524-F1547 HydrophobicContact CB-CB 4.29Å; A1524-F1547 HydrophobicContact CB-CE2 4.03Å; A1524-F1547 HydrophobicContact CB-CZ 3.68Å; A1524-H2294 VanDerWaalsContact CB-NE2 3.31Å; A1524-H2294 WeakPolarHBondContact CB-NE2 3.23Å | ||
| 1525 | A | 29 | Very low | 32.8 | Very low | 82.2 Ų | 82.2 | 105.6 Ų | 105.6 | 68% | 0.679 | 53% | 0.53 | S | S | * | . | trans | -71 | 79.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | T1487 R1523 I1527 | T1487-A1525 HydrophobicContact CG2-CB 3.63Å; R1523-A1525 PolarHBondContact O-N 2.81Å; A1525-I1527 HydrophobicContact CB-CD1 4.23Å; A1525-I1527 HydrophobicContact CB-CG1 4.02Å; A1525-I1527 PolarHBondContact O-N 3.37Å | ||
| 1526 | E | 28.3 | Very low | 31.6 | Very low | 165.8 Ų | 165.8 | 109.7 Ų | 109.7 | 78% | 0.775 | 55% | 0.552 | S | S | * | * | trans | -120.8 | 84.4 | 174.6 | -122.5 | 174.5 | 166.9 | 0 | 0 | 111.7 | R1523 A1524 V1528 | R1523-E1526 IonicContact CZ-OE2 2.73Å; R1523-E1526 IonicContact NE-OE2 2.66Å; R1523-E1526 PolarHBondContact NE-OE2 3Å; R1523-E1526 IonicContact NH2-OE1 2.69Å; R1523-E1526 IonicContact NH2-OE2 3.94Å; R1523-E1526 PolarHBondContact NH2-OE2 3.46Å; A1524-E1526 VanDerWaalsContact C-N 3.31Å; A1524-E1526 PolarHBondContact O-N 2.92Å; A1524-E1526 VanDerWaalsContact O-N 3.13Å; E1526-V1528 PolarHBondContact O-N 2.8Å | ||
| 1527 | I | 26.5 | Very low | 30.5 | Very low | 147 Ų | 147 | 114 Ų | 114 | 75% | 0.754 | 58% | 0.583 | S | S | * | * | trans | -109.7 | 66.9 | 170.4 | -48.1 | 176.8 | 0 | 0 | 0 | 110 | A1525 K1529 V1530 | A1525-I1527 HydrophobicContact CB-CD1 4.23Å; A1525-I1527 HydrophobicContact CB-CG1 4.02Å; A1525-I1527 PolarHBondContact O-N 3.37Å; I1527-K1529 PolarHBondContact O-N 2.87Å; I1527-V1530 HydrophobicContact CG2-CG2 4.19Å | ||
| 1528 | V | 25.1 | Very low | 29.6 | Very low | 133.8 Ų | 133.8 | 122.1 Ų | 122.1 | 81% | 0.811 | 62% | 0.616 | S | S | * | * | trans | -99.8 | 77.1 | 164.5 | -177.7 | 0 | 0 | 0 | 0 | 110.5 | E1526 V1530 | E1526-V1528 PolarHBondContact O-N 2.8Å; V1528-V1530 HydrophobicContact CG1-CG2 4.24Å; V1528-V1530 PolarHBondContact O-N 2.91Å; V1528-V1530 VanDerWaalsContact O-N 3.1Å | ||
| 1529 | K | 23.6 | Very low | 29 | Very low | 188.6 Ų | 188.6 | 125.1 Ų | 125.1 | 82% | 0.82 | 64% | 0.639 | S | S | * | * | trans | -120.9 | 44.4 | 166.6 | -100.7 | 176.9 | -180 | 176 | 0 | 115.6 | I1527 R1531 | I1527-K1529 PolarHBondContact O-N 2.87Å; K1529-R1531 PolarHBondContact O-N 3.14Å | ||
| 1530 | V | 23.1 | Very low | 28 | Very low | 129.2 Ų | 129.2 | 132.3 Ų | 132.3 | 78% | 0.783 | 67% | 0.672 | S | S | * | * | trans | -107.4 | 82 | 170 | -171.3 | 0 | 0 | 0 | 0 | 111.2 | I1527 V1528 | I1527-V1530 HydrophobicContact CG2-CG2 4.19Å; V1528-V1530 HydrophobicContact CG1-CG2 4.24Å; V1528-V1530 PolarHBondContact O-N 2.91Å; V1528-V1530 VanDerWaalsContact O-N 3.1Å | ||
| 1531 | R | 22.3 | Very low | 27.2 | Very low | 239.8 Ų | 239.8 | 140.4 Ų | 140.4 | 91% | 0.905 | 71% | 0.705 | S | S | * | * | trans | -113.3 | 79.7 | 162 | -122.2 | 176 | -174.8 | 170.8 | 1.9 | 113.5 | K1529 L1533 | K1529-R1531 PolarHBondContact O-N 3.14Å; R1531-L1533 PolarHBondContact O-N 2.81Å | ||
| 1532 | R | 21.7 | Very low | 26.3 | Very low | 232.6 Ų | 232.6 | 144.2 Ų | 144.2 | 88% | 0.878 | 73% | 0.727 | S | S | * | * | S | Bend | trans | 175 | 106.4 | 162.7 | -83.5 | -177.6 | 176.5 | 164.4 | -1.3 | 113.8 | ||
| 1533 | L | 22.5 | Very low | 25.6 | Very low | 151.6 Ų | 151.6 | 147.6 Ų | 147.6 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | trans | 121.4 | 127.5 | 144.8 | -82.6 | 154.9 | 0 | 0 | 0 | 115.5 | R1531 | R1531-L1533 PolarHBondContact O-N 2.81Š| ||
| 1534 | L | 21.7 | Very low | 25 | Very low | 147 Ų | 147 | 149.3 Ų | 149.3 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | trans | 65.4 | 105.5 | 156 | -75.6 | 145.1 | 0 | 0 | 0 | 119.1 | I1536 | L1534-I1536 HydrophobicContact CB-CD1 4.36Å; L1534-I1536 HydrophobicContact CD2-CD1 3.76Å; L1534-I1536 PolarHBondContact O-N 3.17Å; L1534-I1536 VanDerWaalsContact O-N 3.08Å | ||
| 1535 | S | 20.7 | Very low | 24.6 | Very low | 112 Ų | 112 | 151 Ų | 151 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | trans | -50.6 | 112.9 | 153.7 | 52.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1536 | I | 22.8 | Very low | 24.6 | Very low | 137.4 Ų | 137.4 | 150 Ų | 150 | 71% | 0.705 | 76% | 0.756 | S | S | * | * | trans | -139.7 | 130 | 151.1 | -71.1 | 161.3 | 0 | 0 | 0 | 107.1 | L1534 F1538 | L1534-I1536 HydrophobicContact CB-CD1 4.36Å; L1534-I1536 HydrophobicContact CD2-CD1 3.76Å; L1534-I1536 PolarHBondContact O-N 3.17Å; L1534-I1536 VanDerWaalsContact O-N 3.08Å; I1536-F1538 HydrophobicContact CB-CE2 4.34Å; I1536-F1538 HydrophobicContact CG2-CD2 4.13Å; I1536-F1538 HydrophobicContact CG2-CE2 3.75Å; I1536-F1538 HydrophobicContact CG2-CZ 4.06Å; I1536-F1538 PolarHBondContact O-N 2.77Å | ||
| 1537 | S | 21.8 | Very low | 24.7 | Very low | 104.4 Ų | 104.4 | 146.6 Ų | 146.6 | 73% | 0.73 | 74% | 0.739 | S | S | * | * | trans | -86.5 | 126.8 | -179 | 9.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1538 | F | 26.2 | Very low | 24.9 | Very low | 190.4 Ų | 190.4 | 142.2 Ų | 142.2 | 84% | 0.835 | 72% | 0.715 | S | S | * | * | trans | -137.1 | 133.4 | 158.1 | -74.3 | -73.7 | 0 | 0 | 0 | 111.6 | I1536 | I1536-F1538 HydrophobicContact CB-CE2 4.34Å; I1536-F1538 HydrophobicContact CG2-CD2 4.13Å; I1536-F1538 HydrophobicContact CG2-CE2 3.75Å; I1536-F1538 HydrophobicContact CG2-CZ 4.06Å; I1536-F1538 PolarHBondContact O-N 2.77Å | ||
| 1539 | P | 31.4 | Very low | 25.3 | Very low | 104.8 Ų | 104.8 | 138.2 Ų | 138.2 | 68% | 0.681 | 69% | 0.691 | S | S | * | * | trans | -96.3 | 169.4 | -178.9 | 35.8 | -29.1 | 0 | 0 | 0 | 111.5 | ||||
| 1540 | Q | 26.3 | Very low | 26.1 | Very low | 168.2 Ų | 168.2 | 130.4 Ų | 130.4 | 79% | 0.786 | 66% | 0.659 | S | S | * | * | trans | 80.3 | 97.4 | 168.9 | -56 | 173.8 | 0.2 | 0 | 0 | 116.5 | ||||
| 1541 | F | 25.5 | Very low | 27.2 | Very low | 185.6 Ų | 185.6 | 125.4 Ų | 125.4 | 81% | 0.814 | 63% | 0.63 | S | S | * | * | trans | 153.2 | 110.7 | 146.5 | -77.4 | -70.4 | 0 | 0 | 0 | 112.2 | T1543 | F1541-T1543 PolarHBondContact O-N 3.04Š| ||
| 1542 | E | 24.8 | Very low | 28.1 | Very low | 174.2 Ų | 174.2 | 118.8 Ų | 118.8 | 81% | 0.814 | 61% | 0.609 | S | S | * | * | trans | -101.7 | 129.5 | 155.9 | -85.7 | 176.2 | 168.1 | 0 | 0 | 111.8 | Q1544 | E1542-Q1544 HydrophobicContact CB-CG 4.05Å; E1542-Q1544 PolarHBondContact O-N 2.87Å; E1542-Q1544 PolarHBondContact OE2-NE2 3.47Å | ||
| 1543 | T | 24.5 | Very low | 29.2 | Very low | 126.4 Ų | 126.4 | 110.4 Ų | 110.4 | 78% | 0.775 | 58% | 0.579 | S | S | * | * | trans | -71.2 | 102.1 | 164.5 | 49.3 | 0 | 0 | 0 | 0 | 113.1 | F1541 V1545 | F1541-T1543 PolarHBondContact O-N 3.04Å; T1543-V1545 VanDerWaalsContact C-N 3.33Å; T1543-V1545 PolarHBondContact O-N 3.32Å | ||
| 1544 | Q | 23.4 | Very low | 30.3 | Very low | 158.6 Ų | 158.6 | 108.9 Ų | 108.9 | 74% | 0.741 | 56% | 0.563 | S | S | * | * | trans | -112.2 | 105.4 | 155.9 | -80.3 | -179.1 | 19.8 | 0 | 0 | 112.6 | E1542 T1546 | E1542-Q1544 HydrophobicContact CB-CG 4.05Å; E1542-Q1544 PolarHBondContact O-N 2.87Å; E1542-Q1544 PolarHBondContact OE2-NE2 3.47Å; Q1544-T1546 VanDerWaalsContact C-N 3.28Å; Q1544-T1546 PolarHBondContact O-N 3.08Å | ||
| 1545 | V | 26 | Very low | 31.6 | Very low | 92.2 Ų | 92.2 | 102.1 Ų | 102.1 | 56% | 0.559 | 53% | 0.528 | S | S | * | . | trans | -84.1 | 101.2 | 175.9 | -160 | 0 | 0 | 0 | 0 | 109.8 | T1543 F1547 R2286 L2290 | T1543-V1545 VanDerWaalsContact C-N 3.33Å; T1543-V1545 PolarHBondContact O-N 3.32Å; V1545-F1547 HydrophobicContact CB-CD2 4.32Å; V1545-F1547 HydrophobicContact CB-CE2 3.96Å; V1545-F1547 HydrophobicContact CG1-CD1 4.39Å; V1545-F1547 HydrophobicContact CG1-CD2 3.68Å; V1545-F1547 HydrophobicContact CG1-CE1 3.98Å; V1545-F1547 HydrophobicContact CG1-CE2 3.19Å; V1545-F1547 HydrophobicContact CG1-CG 4.22Å; V1545-F1547 HydrophobicContact CG1-CZ 3.54Å; V1545-F1547 PolarHBondContact O-N 3.21Å; V1545-R2286 PolarHBondContact O-NH1 2.86Å; V1545-L2290 HydrophobicContact CG2-CD1 4.13Å | ||
| 1546 | T | 27.8 | Very low | 32.9 | Very low | 60.4 Ų | 60.4 | 98.5 Ų | 98.5 | 37% | 0.371 | 50% | 0.499 | S | S | . | . | trans | -69.2 | 113.5 | -178.3 | 43.7 | 0 | 0 | 0 | 0 | 113.1 | E1488 K1522 Q1544 F1548 | E1488-T1546 PolarHBondContact OE1-OG1 3.48Å; K1522-T1546 WeakPolarHBondContact CD-O 3.46Å; K1522-T1546 WeakPolarHBondContact CE-O 3.32Å; K1522-T1546 VanDerWaalsContact NZ-C 3.33Å; K1522-T1546 PolarHBondContact NZ-O 3.15Å; K1522-T1546 PolarHBondContact NZ-OG1 3.15Å; Q1544-T1546 VanDerWaalsContact C-N 3.28Å; Q1544-T1546 PolarHBondContact O-N 3.08Å; T1546-F1548 VanDerWaalsContact C-N 3.35Å; T1546-F1548 HydrophobicContact CG2-CE2 4.37Å; T1546-F1548 VanDerWaalsContact O-CD2 3.23Å; T1546-F1548 WeakPolarHBondContact O-CD2 3.32Å; T1546-F1548 PolarHBondContact O-N 3.32Å | ||
| 1547 | F | 30.3 | Very low | 34.2 | Very low | 94.2 Ų | 94.2 | 92.8 Ų | 92.8 | 41% | 0.413 | 47% | 0.471 | S | S | . | . | trans | -72.1 | 106.5 | -174 | -73.6 | -84.3 | 0 | 0 | 0 | 115 | K1522 A1524 V1545 V1549 L2290 Y2293 H2294 | K1522-F1547 HydrophobicContact CD-CB 4.13Å; A1524-F1547 HydrophobicContact CB-CB 4.29Å; A1524-F1547 HydrophobicContact CB-CE2 4.03Å; A1524-F1547 HydrophobicContact CB-CZ 3.68Å; V1545-F1547 HydrophobicContact CB-CD2 4.32Å; V1545-F1547 HydrophobicContact CB-CE2 3.96Å; V1545-F1547 HydrophobicContact CG1-CD1 4.39Å; V1545-F1547 HydrophobicContact CG1-CD2 3.68Å; V1545-F1547 HydrophobicContact CG1-CE1 3.98Å; V1545-F1547 HydrophobicContact CG1-CE2 3.19Å; V1545-F1547 HydrophobicContact CG1-CG 4.22Å; V1545-F1547 HydrophobicContact CG1-CZ 3.54Å; V1545-F1547 PolarHBondContact O-N 3.21Å; F1547-V1549 PolarHBondContact O-N 3.47Å; F1547-L2290 HydrophobicContact CB-CD2 3.65Å; F1547-L2290 HydrophobicContact CD1-CD2 4.27Å; F1547-L2290 HydrophobicContact CD2-CD1 3.98Å; F1547-L2290 HydrophobicContact CD2-CD2 3.27Å; F1547-L2290 HydrophobicContact CD2-CG 4.12Å; F1547-L2290 HydrophobicContact CE2-CB 4.42Å; F1547-L2290 HydrophobicContact CE2-CD1 3.96Å; F1547-L2290 HydrophobicContact CE2-CD2 3.84Å; F1547-L2290 HydrophobicContact CE2-CG 4.26Å; F1547-L2290 HydrophobicContact CG-CD2 3.5Å; F1547-L2290 VanDerWaalsContact CG-CD2 3.5Å; F1547-Y2293 HydrophobicContact CD1-CD1 4.26Å; F1547-Y2293 HydrophobicContact CD1-CG 4.49Å; F1547-Y2293 AromaticContact CE1-CD1 3.52Å; F1547-Y2293 HydrophobicContact CE1-CD1 3.52Å; F1547-Y2293 HydrophobicContact CE1-CE1 4.02Å; F1547-Y2293 HydrophobicContact CE1-CG 4.14Å; F1547-Y2293 HydrophobicContact CZ-CD1 4.41Å; F1547-H2294 AromaticContact CZ-NE2 3.73Å | ||
| 1548 | F | 32.2 | Very low | 35.5 | Very low | 55.2 Ų | 55.2 | 90.1 Ų | 90.1 | 24% | 0.242 | 45% | 0.448 | C | S | . | . | trans | -101.8 | 94.1 | 173.7 | -69.2 | -76.9 | 0 | 0 | 0 | 115.5 | K1522 T1546 C1550 N1632 T1633 R1635 W1636 F1691 | K1522-F1548 WeakPolarHBondContact CA-O 3.3Å; K1522-F1548 HydrophobicContact CB-CB 4.05Å; K1522-F1548 WeakPolarHBondContact CB-O 3.41Å; K1522-F1548 HydrophobicContact CD-CB 4.35Å; K1522-F1548 HydrophobicContact CD-CD1 4.38Å; K1522-F1548 HydrophobicContact CD-CD2 4.46Å; K1522-F1548 HydrophobicContact CD-CG 4.22Å; K1522-F1548 HydrophobicContact CG-CB 4.27Å; K1522-F1548 HydrophobicContact CG-CD2 4.45Å; K1522-F1548 HydrophobicContact CG-CG 4.31Å; K1522-F1548 PolarHBondContact N-O 2.99Å; K1522-F1548 VanDerWaalsContact O-O 3.07Å; T1546-F1548 VanDerWaalsContact C-N 3.35Å; T1546-F1548 HydrophobicContact CG2-CE2 4.37Å; T1546-F1548 VanDerWaalsContact O-CD2 3.23Å; T1546-F1548 WeakPolarHBondContact O-CD2 3.32Å; T1546-F1548 PolarHBondContact O-N 3.32Å; F1548-C1550 VanDerWaalsContact C-N 3.33Å; F1548-C1550 PolarHBondContact O-N 2.94Å; F1548-C1550 VanDerWaalsContact O-N 3.17Å; F1548-N1632 HydrophobicContact CD1-CB 3.59Å; F1548-N1632 WeakPolarHBondContact CD1-O 3.29Å; F1548-N1632 HydrophobicContact CE1-CB 3.33Å; F1548-N1632 VanDerWaalsContact CE1-CB 3.44Å; F1548-N1632 VanDerWaalsContact CE1-CG 3.44Å; F1548-N1632 WeakPolarHBondContact CE1-O 3.46Å; F1548-N1632 HydrophobicContact CZ-CB 3.9Å; F1548-N1632 WeakPolarHBondContact CZ-O 3.41Å; F1548-T1633 VanDerWaalsContact CE1-N 3.28Å; F1548-R1635 HydrophobicContact CE1-CB 4.44Å; F1548-R1635 HydrophobicContact CZ-CB 4.37Å; F1548-W1636 HydrophobicContact CD1-CB 3.92Å; F1548-W1636 HydrophobicContact CD2-CB 4.21Å; F1548-W1636 HydrophobicContact CE1-CB 4.21Å; F1548-W1636 HydrophobicContact CE2-CB 4.02Å; F1548-W1636 HydrophobicContact CG-CB 4.25Å; F1548-W1636 HydrophobicContact CG-CG 4.4Å; F1548-W1636 HydrophobicContact CZ-CB 4.34Å; F1548-F1691 HydrophobicContact CD1-CB 4.19Å; F1548-F1691 HydrophobicContact CE1-CB 3.74Å; F1548-F1691 HydrophobicContact CZ-CB 4.48Å | ||
| 1549 | V | 33.6 | Very low | 37.1 | Very low | 50.4 Ų | 50.4 | 82.4 Ų | 82.4 | 31% | 0.305 | 41% | 0.414 | S | S | . | . | trans | -56.6 | 109.8 | 151.8 | 180 | 0 | 0 | 0 | 0 | 110.3 | K1522 F1547 S1551 Y1630 T1633 Y2293 | K1522-V1549 HydrophobicContact CB-CG2 4.43Å; K1522-V1549 WeakPolarHBondContact O-CG2 3.29Å; F1547-V1549 PolarHBondContact O-N 3.47Å; V1549-S1551 PolarHBondContact O-N 2.86Å; V1549-Y1630 HydrophobicContact CB-CD2 4.01Å; V1549-Y1630 HydrophobicContact CB-CE2 4.3Å; V1549-Y1630 HydrophobicContact CB-CG 4.37Å; V1549-Y1630 HydrophobicContact CG1-CD2 3.29Å; V1549-Y1630 HydrophobicContact CG1-CE2 3.87Å; V1549-Y1630 HydrophobicContact CG1-CG 3.87Å; V1549-Y1630 HydrophobicContact CG2-CD1 3.9Å; V1549-Y1630 HydrophobicContact CG2-CD2 3.69Å; V1549-Y1630 HydrophobicContact CG2-CE1 4.27Å; V1549-Y1630 HydrophobicContact CG2-CE2 4.02Å; V1549-Y1630 HydrophobicContact CG2-CG 3.59Å; V1549-T1633 WeakPolarHBondContact CG1-OG1 3.37Å; V1549-Y2293 HydrophobicContact CB-CE1 4.46Å; V1549-Y2293 VanDerWaalsContact CB-OH 3.25Å; V1549-Y2293 WeakPolarHBondContact CB-OH 3.45Å; V1549-Y2293 WeakPolarHBondContact CG1-OH 3.2Å; V1549-Y2293 HydrophobicContact CG2-CE1 4.02Å | ||
| 1550 | C | 40.5 | Very low | 38.6 | Very low | 23.4 Ų | 23.4 | 79.8 Ų | 79.8 | 16% | 0.158 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 105.3 | 166.5 | -140.7 | 0 | 0 | 0 | 0 | 109.3 | C1520 F1548 Q1552 L1628 T1633 | C1520-C1550 CarbonylContact C-O 3.53Å; C1520-C1550 WeakPolarHBondContact CA-O 3.33Å; C1520-C1550 HydrophobicContact CB-CB 3.79Å; C1520-C1550 WeakPolarHBondContact CB-O 3.38Å; C1520-C1550 PolarHBondContact N-O 3.21Å; C1520-C1550 CarbonylContact O-C 3.52Å; C1520-C1550 WeakPolarHBondContact O-CA 3.49Å; C1520-C1550 VanDerWaalsContact O-CB 3.3Å; C1520-C1550 WeakPolarHBondContact O-CB 3.15Å; C1520-C1550 PolarHBondContact O-N 3.11Å; F1548-C1550 VanDerWaalsContact C-N 3.33Å; F1548-C1550 PolarHBondContact O-N 2.94Å; F1548-C1550 VanDerWaalsContact O-N 3.17Å; C1550-Q1552 PolarHBondContact O-N 3.08Å; C1550-L1628 PolarHBondContact SG-O 2.79Å; C1550-T1633 WeakPolarHBondContact SG-CG2 3.38Å; C1550-T1633 PolarHBondContact SG-OG1 3.41Å |
| 1551 | S | 44.5 | Very low | 40.7 | Very low | 23.8 Ų | 23.8 | 73.1 Ų | 73.1 | 17% | 0.166 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -49.6 | 108.1 | 159.5 | 52 | 0 | 0 | 0 | 0 | 113 | L1518 I1519 C1520 V1549 L1628 | L1518-S1551 VanDerWaalsContact O-O 3.09Å; I1519-S1551 WeakPolarHBondContact CA-O 3.2Å; C1520-S1551 VanDerWaalsContact CB-OG 3.3Å; C1520-S1551 WeakPolarHBondContact CB-OG 3.43Å; C1520-S1551 PolarHBondContact N-O 2.97Å; C1520-S1551 PolarHBondContact SG-OG 3.23Å; C1520-S1551 VanDerWaalsContact SG-OG 3.4Å; V1549-S1551 PolarHBondContact O-N 2.86Å; S1551-L1628 WeakPolarHBondContact CA-O 3.39Å; S1551-L1628 WeakPolarHBondContact CB-O 3.29Å; S1551-L1628 PolarHBondContact OG-O 2.94Å |
| 1552 | Q | 42.8 | Very low | 42.9 | Very low | 101.4 Ų | 101.4 | 64.6 Ų | 64.6 | 47% | 0.474 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 114.8 | 165.5 | -69.2 | 179.3 | -8.2 | 0 | 0 | 110.5 | L1518 I1519 C1550 R1554 V1627 L1628 | L1518-Q1552 CarbonylContact O-C 3.36Å; L1518-Q1552 VanDerWaalsContact O-CA 3.3Å; L1518-Q1552 WeakPolarHBondContact O-CA 3.42Å; I1519-Q1552 HydrophobicContact CG1-CG 4.29Å; C1550-Q1552 PolarHBondContact O-N 3.08Å; Q1552-R1554 HydrophobicContact CB-CB 4.32Å; Q1552-R1554 PolarHBondContact O-N 3.29Å; Q1552-V1627 WeakPolarHBondContact O-CA 3.38Å; Q1552-L1628 PolarHBondContact O-N 3.37Å |
| 1553 | F | 44.1 | Very low | 45.4 | Very low | 56.6 Ų | 56.6 | 57.6 Ų | 57.6 | 25% | 0.248 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 96.3 | 154.6 | -162.1 | -87.9 | 0 | 0 | 0 | 105.9 | L1516 C1517 L1518 V1555 L1625 R1626 V1627 L1680 | L1516-F1553 HydrophobicContact CD2-CD1 4.29Å; L1516-F1553 HydrophobicContact CD2-CE1 3.96Å; L1516-F1553 HydrophobicContact CG-CD1 4.49Å; L1516-F1553 VanDerWaalsContact O-O 3.11Å; C1517-F1553 CarbonylContact C-O 3.52Å; C1517-F1553 VanDerWaalsContact CA-O 3.24Å; C1517-F1553 WeakPolarHBondContact CA-O 3.42Å; L1518-F1553 HydrophobicContact CB-CB 3.84Å; L1518-F1553 HydrophobicContact CB-CD1 4.27Å; L1518-F1553 HydrophobicContact CB-CD2 4.21Å; L1518-F1553 HydrophobicContact CB-CG 4.33Å; L1518-F1553 HydrophobicContact CD1-CB 3.9Å; L1518-F1553 HydrophobicContact CD1-CD1 3.76Å; L1518-F1553 HydrophobicContact CD1-CD2 4.46Å; L1518-F1553 HydrophobicContact CD1-CE1 4.23Å; L1518-F1553 HydrophobicContact CD1-CG 4.15Å; L1518-F1553 HydrophobicContact CD2-CD2 4.22Å; L1518-F1553 HydrophobicContact CG-CB 4.27Å; L1518-F1553 HydrophobicContact CG-CD1 3.92Å; L1518-F1553 HydrophobicContact CG-CE1 4.43Å; L1518-F1553 HydrophobicContact CG-CG 4.34Å; L1518-F1553 PolarHBondContact N-O 2.97Å; L1518-F1553 PolarHBondContact O-N 3.24Å; L1518-F1553 VanDerWaalsContact O-N 3.16Å; F1553-V1555 HydrophobicContact CD1-CG2 3.75Å; F1553-V1555 HydrophobicContact CE1-CG2 3.42Å; F1553-V1555 VanDerWaalsContact CE1-CG2 3.43Å; F1553-V1555 HydrophobicContact CG-CG2 4.47Å; F1553-V1555 HydrophobicContact CZ-CG2 4.33Å; F1553-L1625 HydrophobicContact CD2-CD2 4.31Å; F1553-L1625 HydrophobicContact CE1-CD1 4.29Å; F1553-L1625 HydrophobicContact CE1-CD2 4.44Å; F1553-L1625 HydrophobicContact CE2-CD1 4.26Å; F1553-L1625 HydrophobicContact CE2-CD2 3.72Å; F1553-L1625 HydrophobicContact CE2-CG 4.25Å; F1553-L1625 HydrophobicContact CZ-CD1 3.95Å; F1553-L1625 HydrophobicContact CZ-CD2 3.92Å; F1553-L1625 HydrophobicContact CZ-CG 4.35Å; F1553-R1626 WeakPolarHBondContact CA-O 3.43Å; F1553-V1627 HydrophobicContact CD1-CG1 4.46Å; F1553-V1627 HydrophobicContact CD1-CG2 3.74Å; F1553-V1627 HydrophobicContact CD2-CB 4.33Å; F1553-V1627 HydrophobicContact CD2-CG1 4.19Å; F1553-V1627 HydrophobicContact CD2-CG2 3.59Å; F1553-V1627 HydrophobicContact CE1-CB 4.25Å; F1553-V1627 HydrophobicContact CE1-CG1 3.84Å; F1553-V1627 HydrophobicContact CE1-CG2 3.38Å; F1553-V1627 HydrophobicContact CE2-CG1 3.78Å; F1553-V1627 HydrophobicContact CE2-CG2 3.85Å; F1553-V1627 VanDerWaalsContact CE2-CG2 3.45Å; F1553-V1627 HydrophobicContact CG-CG2 4.41Å; F1553-V1627 HydrophobicContact CZ-CB 4.35Å; F1553-V1627 HydrophobicContact CZ-CG1 3.45Å; F1553-V1627 VanDerWaalsContact CZ-CG1 3.45Å; F1553-V1627 HydrophobicContact CZ-CG2 3.94Å; F1553-L1680 HydrophobicContact CZ-CD1 4.4Å |
| 1554 | R | 45.5 | Very low | 48.1 | Very low | 119.6 Ų | 119.6 | 56.2 Ų | 56.2 | 45% | 0.451 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 119.3 | 179.3 | -170.6 | 175.5 | 177.9 | -173.4 | -9.8 | 109.1 | H1515 L1516 C1517 Q1552 E1556 R1626 | H1515-R1554 PolarHBondContact CE1-NH2 3.28Å; H1515-R1554 PolarHBondContact ND1-NE 3.46Å; H1515-R1554 PolarHBondContact ND1-NH2 3.35Å; H1515-R1554 PolarHBondContact NE2-NH2 3.29Å; H1515-R1554 VanDerWaalsContact NE2-NH2 3.16Å; L1516-R1554 WeakPolarHBondContact O-CA 3.32Å; C1517-R1554 HydrophobicContact CB-CG 4.47Å; Q1552-R1554 HydrophobicContact CB-CB 4.32Å; Q1552-R1554 PolarHBondContact O-N 3.29Å; R1554-E1556 VanDerWaalsContact CD-OE1 3.25Å; R1554-E1556 WeakPolarHBondContact CD-OE1 3.43Å; R1554-E1556 HydrophobicContact CG-CG 4.12Å; R1554-E1556 VanDerWaalsContact CZ-CD 3.44Å; R1554-E1556 IonicContact CZ-OE1 3.07Å; R1554-E1556 IonicContact CZ-OE2 3.55Å; R1554-E1556 VanDerWaalsContact NE-CD 3.29Å; R1554-E1556 IonicContact NE-OE1 3.5Å; R1554-E1556 PolarHBondContact NE-OE1 3.03Å; R1554-E1556 IonicContact NE-OE2 2.8Å; R1554-E1556 IonicContact NH1-OE1 3.13Å; R1554-E1556 PolarHBondContact NH1-OE1 3.16Å; R1554-E1556 IonicContact NH2-OE1 3.13Å; R1554-E1556 PolarHBondContact NH2-OE1 2.98Å; R1554-E1556 VanDerWaalsContact NH2-OE1 3.15Å; R1554-E1556 IonicContact NH2-OE2 3.76Å; R1554-E1556 PolarHBondContact NH2-OE2 3.28Å; R1554-R1626 PolarHBondContact N-O 3.22Å |
| 1555 | V | 48.7 | Very low | 51 | Low | 4.2 Ų | 4.2 | 50.5 Ų | 50.5 | 3% | 0.025 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 118.8 | 174.1 | -169.9 | 0 | 0 | 0 | 0 | 108.2 | H1515 L1516 F1553 S1557 L1558 F1559 V1615 L1625 | H1515-V1555 CarbonylContact C-O 3.46Å; H1515-V1555 VanDerWaalsContact CA-O 3.27Å; H1515-V1555 WeakPolarHBondContact CA-O 3.29Å; H1515-V1555 WeakPolarHBondContact CB-O 3.46Å; H1515-V1555 PolarHBondContact ND1-O 2.58Å; L1516-V1555 HydrophobicContact CB-CB 4.25Å; L1516-V1555 HydrophobicContact CB-CG2 4.18Å; L1516-V1555 HydrophobicContact CD2-CG2 4.17Å; L1516-V1555 HydrophobicContact CG-CG2 4.1Å; L1516-V1555 PolarHBondContact N-O 3.07Å; L1516-V1555 WeakPolarHBondContact O-CA 3.5Å; L1516-V1555 WeakPolarHBondContact O-CB 3.36Å; L1516-V1555 PolarHBondContact O-N 3Å; F1553-V1555 HydrophobicContact CD1-CG2 3.75Å; F1553-V1555 HydrophobicContact CE1-CG2 3.42Å; F1553-V1555 VanDerWaalsContact CE1-CG2 3.43Å; F1553-V1555 HydrophobicContact CG-CG2 4.47Å; F1553-V1555 HydrophobicContact CZ-CG2 4.33Å; V1555-S1557 VanDerWaalsContact CG1-OG 3.24Å; V1555-S1557 WeakPolarHBondContact CG1-OG 3.44Å; V1555-L1558 HydrophobicContact CB-CD1 4.46Å; V1555-L1558 HydrophobicContact CG1-CB 3.9Å; V1555-L1558 HydrophobicContact CG1-CD1 4.13Å; V1555-L1558 HydrophobicContact CG1-CG 4.36Å; V1555-F1559 HydrophobicContact CB-CE2 3.55Å; V1555-F1559 HydrophobicContact CB-CZ 3.59Å; V1555-F1559 HydrophobicContact CG1-CB 4.43Å; V1555-F1559 HydrophobicContact CG1-CD2 4.34Å; V1555-F1559 HydrophobicContact CG1-CE2 3.4Å; V1555-F1559 VanDerWaalsContact CG1-CE2 3.4Å; V1555-F1559 HydrophobicContact CG1-CZ 3.48Å; V1555-F1559 VanDerWaalsContact CG1-CZ 3.48Å; V1555-F1559 HydrophobicContact CG2-CD2 4.42Å; V1555-F1559 HydrophobicContact CG2-CZ 4.08Å; V1555-V1615 HydrophobicContact CG1-CG1 4.18Å; V1555-V1615 HydrophobicContact CG1-CG2 4.12Å; V1555-L1625 HydrophobicContact CB-CD1 4.25Å; V1555-L1625 HydrophobicContact CG1-CD1 4.1Å; V1555-L1625 HydrophobicContact CG2-CB 4.32Å; V1555-L1625 HydrophobicContact CG2-CD1 3.54Å; V1555-L1625 VanDerWaalsContact CG2-CD1 3.46Å; V1555-L1625 HydrophobicContact CG2-CG 4.11Å |
| 1556 | E | 47.7 | Very low | 53.8 | Low | 37.4 Ų | 37.4 | 49.2 Ų | 49.2 | 18% | 0.175 | 24% | 0.237 | C | C | . | . | trans | -100.9 | -12.1 | -177.1 | -54.5 | -139 | 161.2 | 0 | 0 | 113.5 | H1515 R1554 K1618 D1623 | H1515-E1556 PolarHBondContact CE1-O 3.18Å; H1515-E1556 VanDerWaalsContact CE1-O 3.31Å; H1515-E1556 IonicContact CE1-OE1 2.9Å; H1515-E1556 PolarHBondContact CE1-OE1 2.66Å; H1515-E1556 IonicContact CE1-OE2 3.2Å; H1515-E1556 PolarHBondContact CE1-OE2 3.08Å; H1515-E1556 VanDerWaalsContact ND1-CA 3.31Å; H1515-E1556 WeakPolarHBondContact ND1-CA 3.34Å; H1515-E1556 WeakPolarHBondContact ND1-CB 3.48Å; H1515-E1556 WeakPolarHBondContact ND1-CG 3.29Å; H1515-E1556 PolarHBondContact ND1-O 3.16Å; H1515-E1556 VanDerWaalsContact ND1-O 3.16Å; H1515-E1556 IonicContact ND1-OE1 3.38Å; H1515-E1556 PolarHBondContact ND1-OE1 2.89Å; H1515-E1556 VanDerWaalsContact ND1-OE1 3.1Å; H1515-E1556 IonicContact ND1-OE2 3Å; R1554-E1556 VanDerWaalsContact CD-OE1 3.25Å; R1554-E1556 WeakPolarHBondContact CD-OE1 3.43Å; R1554-E1556 HydrophobicContact CG-CG 4.12Å; R1554-E1556 VanDerWaalsContact CZ-CD 3.44Å; R1554-E1556 IonicContact CZ-OE1 3.07Å; R1554-E1556 IonicContact CZ-OE2 3.55Å; R1554-E1556 VanDerWaalsContact NE-CD 3.29Å; R1554-E1556 IonicContact NE-OE1 3.5Å; R1554-E1556 PolarHBondContact NE-OE1 3.03Å; R1554-E1556 IonicContact NE-OE2 2.8Å; R1554-E1556 IonicContact NH1-OE1 3.13Å; R1554-E1556 PolarHBondContact NH1-OE1 3.16Å; R1554-E1556 IonicContact NH2-OE1 3.13Å; R1554-E1556 PolarHBondContact NH2-OE1 2.98Å; R1554-E1556 VanDerWaalsContact NH2-OE1 3.15Å; R1554-E1556 IonicContact NH2-OE2 3.76Å; R1554-E1556 PolarHBondContact NH2-OE2 3.28Å; E1556-K1618 WeakPolarHBondContact O-CE 3.38Å; E1556-K1618 PolarHBondContact O-NZ 3.37Å; E1556-D1623 HydrophobicContact CB-CB 4.44Å; E1556-D1623 HydrophobicContact CG-CB 4.07Å | ||
| 1557 | S | 50.5 | Low | 56.7 | Low | 17.8 Ų | 17.8 | 47.4 Ų | 47.4 | 12% | 0.124 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -95.2 | 158 | -177.2 | 50.5 | 0 | 0 | 0 | 0 | 113.2 | H1514 V1555 F1559 V1615 H1616 | H1514-S1557 VanDerWaalsContact O-O 3.04Å; V1555-S1557 VanDerWaalsContact CG1-OG 3.24Å; V1555-S1557 WeakPolarHBondContact CG1-OG 3.44Å; S1557-F1559 PolarHBondContact O-N 3.07Å; S1557-F1559 VanDerWaalsContact O-N 3.14Å; S1557-V1615 WeakPolarHBondContact OG-CG1 3.18Å; S1557-H1616 WeakPolarHBondContact CB-O 3.36Å; S1557-H1616 PolarHBondContact OG-O 3.04Å |
| 1558 | L | 49.6 | Very low | 59.4 | Low | 47.8 Ų | 47.8 | 44.9 Ų | 44.9 | 25% | 0.25 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 105.7 | 178.9 | -88.6 | 162.7 | 0 | 0 | 0 | 109.9 | W1494 F1511 P1512 R1513 H1514 L1516 V1555 F1561 I1613 V1615 H1616 K1618 | W1494-L1558 HydrophobicContact CH2-CD1 4.4Å; W1494-L1558 HydrophobicContact CZ3-CD1 4.3Å; W1494-L1558 HydrophobicContact CZ3-CD2 4.27Å; F1511-L1558 WeakPolarHBondContact O-CD2 3.11Å; P1512-L1558 WeakPolarHBondContact O-CD2 3.29Å; R1513-L1558 WeakPolarHBondContact CA-O 3.2Å; R1513-L1558 HydrophobicContact CB-CD2 4.06Å; R1513-L1558 HydrophobicContact CG-CD2 3.97Å; R1513-L1558 PolarHBondContact N-O 2.84Å; H1514-L1558 PolarHBondContact N-O 2.85Å; H1514-L1558 VanDerWaalsContact O-CB 3.28Å; H1514-L1558 WeakPolarHBondContact O-CB 3.46Å; H1514-L1558 PolarHBondContact O-N 3.48Å; L1516-L1558 HydrophobicContact CB-CD1 3.88Å; L1516-L1558 HydrophobicContact CD2-CD1 3.52Å; L1516-L1558 HydrophobicContact CG-CD1 4.34Å; V1555-L1558 HydrophobicContact CB-CD1 4.46Å; V1555-L1558 HydrophobicContact CG1-CB 3.9Å; V1555-L1558 HydrophobicContact CG1-CD1 4.13Å; V1555-L1558 HydrophobicContact CG1-CG 4.36Å; L1558-F1561 HydrophobicContact CD2-CB 3.63Å; L1558-I1613 HydrophobicContact CD1-CG2 4.48Å; L1558-V1615 HydrophobicContact CG-CG2 4.33Å; L1558-H1616 HydrophobicContact CB-CB 4.27Å; L1558-H1616 WeakPolarHBondContact CB-O 3.47Å; L1558-H1616 PolarHBondContact N-O 3.07Å; L1558-H1616 PolarHBondContact O-N 3.08Å; L1558-K1618 HydrophobicContact CD1-CD 4.22Å; L1558-K1618 HydrophobicContact CD1-CG 4.22Å; L1558-K1618 HydrophobicContact CG-CD 4.31Å; L1558-K1618 HydrophobicContact CG-CG 4.3Å |
| 1559 | F | 60.1 | Low | 62 | Low | 28.6 Ų | 28.6 | 43.3 Ų | 43.3 | 13% | 0.125 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 137.7 | 175.6 | -179.7 | -99 | 0 | 0 | 0 | 110.6 | W1494 F1511 P1512 R1513 H1514 L1516 V1555 S1557 F1561 I1613 D1614 V1615 H1616 | W1494-F1559 AromaticContact CD1-CZ 3.53Å; W1494-F1559 AromaticContact NE1-CZ 3.59Å; F1511-F1559 HydrophobicContact CB-CB 4.21Å; F1511-F1559 HydrophobicContact CB-CD2 4.45Å; F1511-F1559 HydrophobicContact CB-CE2 3.6Å; F1511-F1559 HydrophobicContact CB-CZ 4.28Å; F1511-F1559 VanDerWaalsContact CB-O 3.29Å; F1511-F1559 WeakPolarHBondContact CB-O 3.38Å; F1511-F1559 HydrophobicContact CD1-CD1 4.19Å; F1511-F1559 HydrophobicContact CD2-CB 4.24Å; F1511-F1559 AromaticContact CD2-CD1 3.51Å; F1511-F1559 HydrophobicContact CD2-CD1 3.51Å; F1511-F1559 HydrophobicContact CD2-CE1 4.36Å; F1511-F1559 HydrophobicContact CD2-CG 4.36Å; F1511-F1559 VanDerWaalsContact CD2-O 3.25Å; F1511-F1559 WeakPolarHBondContact CD2-O 3.38Å; F1511-F1559 HydrophobicContact CE1-CD1 4.08Å; F1511-F1559 AromaticContact CE2-CD1 3.39Å; F1511-F1559 HydrophobicContact CE2-CD1 3.39Å; F1511-F1559 VanDerWaalsContact CE2-CD1 3.41Å; F1511-F1559 AromaticContact CE2-CE1 3.79Å; F1511-F1559 HydrophobicContact CE2-CE1 3.79Å; F1511-F1559 HydrophobicContact CG-CB 4.24Å; F1511-F1559 AromaticContact CG-CD1 3.94Å; F1511-F1559 HydrophobicContact CG-CD1 4.19Å; F1511-F1559 HydrophobicContact CG-CE2 4.32Å; F1511-F1559 AromaticContact CZ-CD1 3.7Å; F1511-F1559 HydrophobicContact CZ-CD1 3.99Å; F1511-F1559 AromaticContact CZ-CE1 3.87Å; F1511-F1559 HydrophobicContact CZ-CE1 3.87Å; F1511-F1559 PolarHBondContact N-O 3.11Å; P1512-F1559 CarbonylContact C-O 3.58Å; R1513-F1559 PolarHBondContact N-O 2.84Å; H1514-F1559 HydrophobicContact CB-CD1 4.35Å; H1514-F1559 HydrophobicContact CB-CE1 3.36Å; H1514-F1559 HydrophobicContact CB-CZ 3.59Å; H1514-F1559 WeakPolarHBondContact O-CD1 3.46Å; H1514-F1559 WeakPolarHBondContact O-CD2 3.45Å; H1514-F1559 WeakPolarHBondContact O-CE1 3.3Å; L1516-F1559 HydrophobicContact CB-CD1 3.92Å; L1516-F1559 HydrophobicContact CB-CD2 4.16Å; L1516-F1559 HydrophobicContact CB-CE1 3.93Å; L1516-F1559 VanDerWaalsContact CB-CE1 3.44Å; L1516-F1559 HydrophobicContact CB-CE2 3.77Å; L1516-F1559 HydrophobicContact CB-CZ 3.92Å; L1516-F1559 HydrophobicContact CD2-CD1 4.37Å; L1516-F1559 HydrophobicContact CD2-CD2 4.21Å; L1516-F1559 HydrophobicContact CD2-CE1 3.97Å; L1516-F1559 HydrophobicContact CD2-CE2 3.85Å; L1516-F1559 HydrophobicContact CD2-CZ 3.82Å; V1555-F1559 HydrophobicContact CB-CE2 3.55Å; V1555-F1559 HydrophobicContact CB-CZ 3.59Å; V1555-F1559 HydrophobicContact CG1-CB 4.43Å; V1555-F1559 HydrophobicContact CG1-CD2 4.34Å; V1555-F1559 HydrophobicContact CG1-CE2 3.4Å; V1555-F1559 VanDerWaalsContact CG1-CE2 3.4Å; V1555-F1559 HydrophobicContact CG1-CZ 3.48Å; V1555-F1559 VanDerWaalsContact CG1-CZ 3.48Å; V1555-F1559 HydrophobicContact CG2-CD2 4.42Å; V1555-F1559 HydrophobicContact CG2-CZ 4.08Å; S1557-F1559 PolarHBondContact O-N 3.07Å; S1557-F1559 VanDerWaalsContact O-N 3.14Å; F1559-F1561 HydrophobicContact CD1-CB 4.03Å; F1559-F1561 HydrophobicContact CD2-CB 3.82Å; F1559-F1561 HydrophobicContact CE1-CB 3.51Å; F1559-F1561 HydrophobicContact CE1-CD2 4.48Å; F1559-F1561 HydrophobicContact CE1-CG 4.18Å; F1559-F1561 HydrophobicContact CE2-CB 3.88Å; F1559-F1561 HydrophobicContact CZ-CB 4Å; F1559-F1561 HydrophobicContact CZ-CD2 4.19Å; F1559-F1561 HydrophobicContact CZ-CG 4.35Å; F1559-I1613 HydrophobicContact CD1-CG2 4.19Å; F1559-I1613 HydrophobicContact CE1-CG2 4.26Å; F1559-I1613 HydrophobicContact CE2-CG2 3.72Å; F1559-I1613 HydrophobicContact CZ-CG2 4.19Å; F1559-D1614 CarbonylContact C-O 3.53Å; F1559-D1614 WeakPolarHBondContact CA-O 3.45Å; F1559-D1614 WeakPolarHBondContact CB-O 3.49Å; F1559-D1614 PolarHBondContact N-O 2.97Å; F1559-V1615 HydrophobicContact CB-CG2 4.08Å; F1559-V1615 HydrophobicContact CD1-CG2 3.66Å; F1559-V1615 HydrophobicContact CD2-CG2 3.62Å; F1559-V1615 HydrophobicContact CE1-CG2 3.52Å; F1559-V1615 HydrophobicContact CE2-CG2 4.01Å; F1559-V1615 HydrophobicContact CG-CG2 4.41Å; F1559-V1615 HydrophobicContact CZ-CG2 4.18Å; F1559-H1616 HydrophobicContact CB-CB 4.05Å; F1559-H1616 AromaticContact CD1-CD2 3.33Å; F1559-H1616 WeakPolarHBondContact CD1-CD2 3.34Å; F1559-H1616 AromaticContact CD1-NE2 3.29Å; F1559-H1616 VanDerWaalsContact CD1-NE2 3.29Å; F1559-H1616 WeakPolarHBondContact CD1-NE2 3.28Å; F1559-H1616 AromaticContact CD2-CD2 3.39Å; F1559-H1616 WeakPolarHBondContact CD2-CD2 3.17Å; F1559-H1616 AromaticContact CE1-CD2 3.71Å; F1559-H1616 AromaticContact CE1-NE2 3.43Å; F1559-H1616 WeakPolarHBondContact CE1-NE2 3.41Å; F1559-H1616 AromaticContact CE2-CD2 3.76Å; F1559-H1616 HydrophobicContact CG-CB 4.42Å; F1559-H1616 AromaticContact CG-CD2 3.15Å; F1559-H1616 WeakPolarHBondContact CG-CD2 3.21Å; F1559-H1616 AromaticContact CG-CG 3.89Å; F1559-H1616 AromaticContact CG-NE2 3.69Å; F1559-H1616 AromaticContact CZ-CD2 3.9Å; F1559-H1616 AromaticContact CZ-NE2 3.92Å |
| 1560 | L | 63.1 | Low | 64.6 | Low | 49.6 Ų | 49.6 | 46.8 Ų | 46.8 | 26% | 0.26 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 112.9 | 165.9 | -178.9 | 68.9 | 0 | 0 | 0 | 108.6 | D1508 K1510 F1511 D1614 | D1508-L1560 VanDerWaalsContact OD1-CD1 3.25Å; D1508-L1560 WeakPolarHBondContact OD1-CD1 3.43Å; K1510-L1560 HydrophobicContact CB-CD1 4.23Å; K1510-L1560 HydrophobicContact CD-CD1 4.28Å; K1510-L1560 HydrophobicContact CG-CD1 3.78Å; F1511-L1560 WeakPolarHBondContact O-CA 3.36Å; L1560-D1614 HydrophobicContact CB-CB 4.46Å; L1560-D1614 PolarHBondContact N-O 3.17Å; L1560-D1614 PolarHBondContact O-N 3Å |
| 1561 | F | 68.9 | Low | 66.7 | Low | 28.4 Ų | 28.4 | 47.1 Ų | 47.1 | 13% | 0.125 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 121.2 | 166.5 | 178 | -78.8 | 0 | 0 | 0 | 108.5 | W1492 W1494 I1509 K1510 F1511 L1558 F1559 L1563 F1611 I1612 I1613 | W1492-F1561 HydrophobicContact CZ3-CE2 4.34Å; W1492-F1561 HydrophobicContact CZ3-CZ 4.09Å; W1494-F1561 HydrophobicContact CH2-CB 4.03Å; W1494-F1561 AromaticContact CH2-CD2 3.9Å; W1494-F1561 HydrophobicContact CH2-CD2 3.9Å; W1494-F1561 HydrophobicContact CH2-CE2 4.44Å; W1494-F1561 AromaticContact CH2-CG 3.99Å; W1494-F1561 HydrophobicContact CH2-CG 3.99Å; W1494-F1561 HydrophobicContact CZ2-CD2 4.31Å; W1494-F1561 HydrophobicContact CZ2-CE2 4.4Å; I1509-F1561 WeakPolarHBondContact CA-O 3.42Å; I1509-F1561 HydrophobicContact CB-CB 4.32Å; I1509-F1561 HydrophobicContact CB-CD1 4.28Å; I1509-F1561 WeakPolarHBondContact CB-O 3.36Å; I1509-F1561 HydrophobicContact CD1-CD1 3.57Å; I1509-F1561 HydrophobicContact CD1-CE1 4Å; I1509-F1561 HydrophobicContact CG1-CD1 3.89Å; I1509-F1561 PolarHBondContact N-O 2.94Å; I1509-F1561 PolarHBondContact O-N 2.91Å; I1509-F1561 VanDerWaalsContact O-O 3.11Å; K1510-F1561 WeakPolarHBondContact CA-O 3.39Å; F1511-F1561 HydrophobicContact CB-CB 4.25Å; F1511-F1561 HydrophobicContact CD2-CB 3.68Å; F1511-F1561 AromaticContact CD2-CD1 3.34Å; F1511-F1561 HydrophobicContact CD2-CD1 3.34Å; F1511-F1561 VanDerWaalsContact CD2-CD1 3.48Å; F1511-F1561 HydrophobicContact CD2-CE1 4.21Å; F1511-F1561 AromaticContact CD2-CG 3.83Å; F1511-F1561 HydrophobicContact CD2-CG 3.83Å; F1511-F1561 WeakPolarHBondContact CD2-O 3.15Å; F1511-F1561 HydrophobicContact CE2-CB 4.28Å; F1511-F1561 AromaticContact CE2-CD1 3.33Å; F1511-F1561 HydrophobicContact CE2-CD1 3.33Å; F1511-F1561 AromaticContact CE2-CE1 3.72Å; F1511-F1561 HydrophobicContact CE2-CE1 3.72Å; F1511-F1561 VanDerWaalsContact CE2-CE1 3.47Å; F1511-F1561 AromaticContact CE2-CG 3.93Å; F1511-F1561 HydrophobicContact CE2-CG 4.15Å; F1511-F1561 HydrophobicContact CE2-CZ 4.43Å; F1511-F1561 HydrophobicContact CG-CB 4.39Å; F1511-F1561 HydrophobicContact CZ-CD1 4.47Å; F1511-F1561 PolarHBondContact N-O 2.95Å; F1511-F1561 VanDerWaalsContact N-O 3.13Å; F1511-F1561 PolarHBondContact O-N 3.3Å; L1558-F1561 HydrophobicContact CD2-CB 3.63Å; F1559-F1561 HydrophobicContact CD1-CB 4.03Å; F1559-F1561 HydrophobicContact CD2-CB 3.82Å; F1559-F1561 HydrophobicContact CE1-CB 3.51Å; F1559-F1561 HydrophobicContact CE1-CD2 4.48Å; F1559-F1561 HydrophobicContact CE1-CG 4.18Å; F1559-F1561 HydrophobicContact CE2-CB 3.88Å; F1559-F1561 HydrophobicContact CZ-CB 4Å; F1559-F1561 HydrophobicContact CZ-CD2 4.19Å; F1559-F1561 HydrophobicContact CZ-CG 4.35Å; F1561-L1563 HydrophobicContact CD1-CB 4.47Å; F1561-L1563 HydrophobicContact CE1-CB 3.86Å; F1561-L1563 HydrophobicContact CE1-CD2 4.26Å; F1561-L1563 HydrophobicContact CZ-CB 4.25Å; F1561-L1563 HydrophobicContact CZ-CD2 4.42Å; F1561-F1611 HydrophobicContact CD2-CE2 4.38Å; F1561-F1611 HydrophobicContact CD2-CZ 4.22Å; F1561-F1611 HydrophobicContact CE1-CE2 4.29Å; F1561-F1611 AromaticContact CE2-CD1 3.96Å; F1561-F1611 HydrophobicContact CE2-CD1 3.98Å; F1561-F1611 HydrophobicContact CE2-CD2 4.34Å; F1561-F1611 HydrophobicContact CE2-CE1 4.39Å; F1561-F1611 AromaticContact CE2-CE2 3.32Å; F1561-F1611 HydrophobicContact CE2-CE2 3.32Å; F1561-F1611 AromaticContact CE2-CZ 3.36Å; F1561-F1611 HydrophobicContact CE2-CZ 3.36Å; F1561-F1611 AromaticContact CZ-CD1 3.77Å; F1561-F1611 HydrophobicContact CZ-CD1 3.77Å; F1561-F1611 HydrophobicContact CZ-CD2 4.11Å; F1561-F1611 AromaticContact CZ-CE1 3.87Å; F1561-F1611 HydrophobicContact CZ-CE1 4.07Å; F1561-F1611 AromaticContact CZ-CE2 3.29Å; F1561-F1611 HydrophobicContact CZ-CE2 3.29Å; F1561-F1611 AromaticContact CZ-CZ 3.87Å; F1561-F1611 HydrophobicContact CZ-CZ 3.87Å; F1561-I1612 CarbonylContact C-O 3.54Å; F1561-I1612 WeakPolarHBondContact CA-O 3.42Å; F1561-I1613 HydrophobicContact CD2-CD1 4.21Å; F1561-I1613 HydrophobicContact CD2-CG1 3.82Å; F1561-I1613 HydrophobicContact CE2-CD1 4.13Å; F1561-I1613 HydrophobicContact CE2-CG1 4.22Å |
| 1562 | S | 71.7 | Confident | 68.5 | Low | 5.6 Ų | 5.6 | 49.7 Ų | 49.7 | 4% | 0.039 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 124.6 | 174 | 177.9 | 0 | 0 | 0 | 0 | 109.7 | Y1507 D1508 I1509 R1564 I1612 | Y1507-S1562 CarbonylContact O-C 3.52Å; Y1507-S1562 VanDerWaalsContact O-CA 3.31Å; Y1507-S1562 WeakPolarHBondContact O-CA 3.41Å; Y1507-S1562 PolarHBondContact O-OG 2.88Å; D1508-S1562 WeakPolarHBondContact OD1-CB 3.37Å; D1508-S1562 PolarHBondContact OD1-OG 3.02Å; I1509-S1562 CarbonylContact O-C 3.41Å; I1509-S1562 WeakPolarHBondContact O-CA 3.34Å; S1562-R1564 PolarHBondContact OG-NE 2.81Å; S1562-I1612 PolarHBondContact N-O 3.01Å; S1562-I1612 PolarHBondContact O-N 3.14Å |
| 1563 | L | 77.7 | Confident | 70.5 | Confident | 27.8 Ų | 27.8 | 45.9 Ų | 45.9 | 15% | 0.146 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 115.1 | 170.6 | 179.5 | 61 | 0 | 0 | 0 | 108.8 | Y1507 I1509 F1561 F1565 L1609 T1610 F1611 | Y1507-L1563 WeakPolarHBondContact CB-O 3.42Å; Y1507-L1563 WeakPolarHBondContact CD2-O 3.19Å; Y1507-L1563 PolarHBondContact N-O 3.12Å; Y1507-L1563 PolarHBondContact O-N 3.08Å; I1509-L1563 HydrophobicContact CB-CB 4.32Å; I1509-L1563 HydrophobicContact CD1-CB 4.38Å; I1509-L1563 HydrophobicContact CD1-CD2 4.2Å; I1509-L1563 PolarHBondContact N-O 3.14Å; I1509-L1563 VanDerWaalsContact N-O 3.16Å; I1509-L1563 PolarHBondContact O-N 2.98Å; F1561-L1563 HydrophobicContact CD1-CB 4.47Å; F1561-L1563 HydrophobicContact CE1-CB 3.86Å; F1561-L1563 HydrophobicContact CE1-CD2 4.26Å; F1561-L1563 HydrophobicContact CZ-CB 4.25Å; F1561-L1563 HydrophobicContact CZ-CD2 4.42Å; L1563-F1565 HydrophobicContact CB-CE2 4.42Å; L1563-F1565 HydrophobicContact CD1-CE2 4.43Å; L1563-F1565 HydrophobicContact CD2-CD2 4.47Å; L1563-F1565 HydrophobicContact CD2-CE1 4.3Å; L1563-F1565 HydrophobicContact CD2-CE2 3.59Å; L1563-F1565 VanDerWaalsContact CD2-CE2 3.4Å; L1563-F1565 HydrophobicContact CD2-CZ 3.61Å; L1563-F1565 HydrophobicContact CG-CD2 4.24Å; L1563-F1565 HydrophobicContact CG-CE2 3.61Å; L1563-F1565 VanDerWaalsContact CG-CE2 3.41Å; L1563-F1565 HydrophobicContact CG-CZ 3.93Å; L1563-L1609 HydrophobicContact CD1-CD2 4.38Å; L1563-T1610 WeakPolarHBondContact CA-O 3.38Å; L1563-F1611 HydrophobicContact CD1-CD1 3.74Å; L1563-F1611 HydrophobicContact CD1-CD2 3.96Å; L1563-F1611 HydrophobicContact CD1-CE1 3.6Å; L1563-F1611 HydrophobicContact CD1-CE2 3.83Å; L1563-F1611 HydrophobicContact CD1-CG 3.92Å; L1563-F1611 HydrophobicContact CD1-CZ 3.64Å; L1563-F1611 HydrophobicContact CD2-CE1 4.11Å; L1563-F1611 HydrophobicContact CD2-CZ 4.37Å; L1563-F1611 HydrophobicContact CG-CE1 4.41Å |
| 1564 | R | 81.1 | Confident | 72.3 | Confident | 96.6 Ų | 96.6 | 45 Ų | 45 | 37% | 0.365 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 131.4 | 179.6 | -67.6 | -178.7 | -136 | 173.6 | 2.3 | 110.7 | Y1506 Y1507 D1508 S1562 L1609 T1610 | Y1506-R1564 HydrophobicContact CG-CG 4.49Å; Y1507-R1564 VanDerWaalsContact O-CA 3.3Å; Y1507-R1564 WeakPolarHBondContact O-CA 3.42Å; D1508-R1564 HydrophobicContact CB-CG 4.36Å; D1508-R1564 IonicContact OD2-NE 3.01Å; S1562-R1564 PolarHBondContact OG-NE 2.81Å; R1564-L1609 WeakPolarHBondContact O-CA 3.4Å; R1564-T1610 PolarHBondContact N-O 3.07Å; R1564-T1610 PolarHBondContact O-N 2.99Å |
| 1565 | F | 83.6 | Confident | 74.2 | Confident | 38.6 Ų | 38.6 | 41.6 Ų | 41.6 | 17% | 0.169 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 119.2 | 175 | -63.8 | -107.2 | 0 | 0 | 0 | 109.8 | W1501 Y1507 I1509 L1563 W1567 L1607 L1609 | W1501-F1565 HydrophobicContact CZ3-CE2 4.32Å; Y1507-F1565 HydrophobicContact CD2-CB 4.23Å; Y1507-F1565 AromaticContact CD2-CD2 3.38Å; Y1507-F1565 HydrophobicContact CD2-CD2 3.38Å; Y1507-F1565 VanDerWaalsContact CD2-CD2 3.43Å; Y1507-F1565 AromaticContact CD2-CE2 3.42Å; Y1507-F1565 HydrophobicContact CD2-CE2 3.42Å; Y1507-F1565 HydrophobicContact CD2-CG 4.39Å; Y1507-F1565 HydrophobicContact CD2-CZ 4.34Å; Y1507-F1565 HydrophobicContact CE2-CB 4.26Å; Y1507-F1565 HydrophobicContact CE2-CD1 4.48Å; Y1507-F1565 AromaticContact CE2-CD2 3.15Å; Y1507-F1565 HydrophobicContact CE2-CD2 3.15Å; Y1507-F1565 AromaticContact CE2-CE2 3.38Å; Y1507-F1565 HydrophobicContact CE2-CE2 3.38Å; Y1507-F1565 AromaticContact CE2-CG 3.77Å; Y1507-F1565 HydrophobicContact CE2-CG 3.77Å; Y1507-F1565 HydrophobicContact CE2-CZ 4.19Å; Y1507-F1565 PolarHBondContact N-O 2.86Å; Y1507-F1565 PolarHBondContact O-N 3.02Å; I1509-F1565 HydrophobicContact CD1-CE2 3.79Å; I1509-F1565 HydrophobicContact CD1-CZ 4.3Å; I1509-F1565 HydrophobicContact CG1-CE2 4.2Å; L1563-F1565 HydrophobicContact CB-CE2 4.42Å; L1563-F1565 HydrophobicContact CD1-CE2 4.43Å; L1563-F1565 HydrophobicContact CD2-CD2 4.47Å; L1563-F1565 HydrophobicContact CD2-CE1 4.3Å; L1563-F1565 HydrophobicContact CD2-CE2 3.59Å; L1563-F1565 VanDerWaalsContact CD2-CE2 3.4Å; L1563-F1565 HydrophobicContact CD2-CZ 3.61Å; L1563-F1565 HydrophobicContact CG-CD2 4.24Å; L1563-F1565 HydrophobicContact CG-CE2 3.61Å; L1563-F1565 VanDerWaalsContact CG-CE2 3.41Å; L1563-F1565 HydrophobicContact CG-CZ 3.93Å; F1565-W1567 HydrophobicContact CD1-CH2 4.48Å; F1565-W1567 AromaticContact CD1-CZ2 3.8Å; F1565-W1567 HydrophobicContact CD1-CZ2 3.96Å; F1565-W1567 HydrophobicContact CE1-CZ2 4.44Å; F1565-L1607 HydrophobicContact CB-CD1 3.9Å; F1565-L1607 HydrophobicContact CD1-CD1 3.95Å; F1565-L1607 HydrophobicContact CD1-CD2 3.96Å; F1565-L1607 HydrophobicContact CD1-CG 4.28Å; F1565-L1607 HydrophobicContact CE1-CD2 3.95Å; F1565-L1607 HydrophobicContact CG-CD1 4.28Å; F1565-L1609 HydrophobicContact CB-CD2 4.4Å; F1565-L1609 HydrophobicContact CD1-CD2 3.46Å; F1565-L1609 VanDerWaalsContact CD1-CD2 3.45Å; F1565-L1609 HydrophobicContact CD2-CD2 3.79Å; F1565-L1609 HydrophobicContact CE1-CD2 3.73Å; F1565-L1609 HydrophobicContact CE2-CD2 4.08Å; F1565-L1609 HydrophobicContact CG-CD2 3.99Å; F1565-L1609 HydrophobicContact CZ-CD2 4.13Å |
| 1566 | D | 86.7 | Confident | 75.9 | Confident | 66.2 Ų | 66.2 | 41.6 Ų | 41.6 | 35% | 0.354 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 113.3 | 175.1 | -179.5 | 32 | 0 | 0 | 0 | 110.1 | Y1506 L1607 N1608 | Y1506-D1566 WeakPolarHBondContact CD1-OD1 3.03Å; Y1506-D1566 VanDerWaalsContact CE1-OD1 3.23Å; Y1506-D1566 WeakPolarHBondContact CE1-OD1 3.32Å; D1566-L1607 WeakPolarHBondContact O-CD1 3.33Å; D1566-N1608 HydrophobicContact CB-CB 4.08Å; D1566-N1608 PolarHBondContact N-O 3.09Å; D1566-N1608 PolarHBondContact O-N 3.02Å; D1566-N1608 PolarHBondContact OD2-ND2 3.15Å; D1566-N1608 VanDerWaalsContact OD2-ND2 3.1Å |
| 1567 | W | 86.7 | Confident | 77.5 | Confident | 21.6 Ų | 21.6 | 40.8 Ų | 40.8 | 8% | 0.082 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 105.9 | -172.5 | -65.9 | 98.5 | 0 | 0 | 0 | 110.7 | W1455 R1459 Y1507 F1565 C1569 P1573 L1607 L1667 H1670 | W1455-W1567 HydrophobicContact CB-CH2 3.73Å; W1455-W1567 HydrophobicContact CB-CZ2 4.37Å; W1455-W1567 HydrophobicContact CB-CZ3 4.37Å; W1455-W1567 AromaticContact CD1-CH2 3.41Å; W1455-W1567 VanDerWaalsContact CD1-CH2 3.43Å; W1455-W1567 AromaticContact CD1-CZ3 3.21Å; W1455-W1567 AromaticContact CG-CH2 3.73Å; W1455-W1567 HydrophobicContact CG-CH2 3.73Å; W1455-W1567 AromaticContact CG-CZ3 3.89Å; W1455-W1567 HydrophobicContact CG-CZ3 3.98Å; W1455-W1567 AromaticContact NE1-CZ3 3.67Å; R1459-W1567 HydrophobicContact CG-CZ2 4.46Å; R1459-W1567 VanDerWaalsContact CZ-CG 3.48Å; R1459-W1567 VanDerWaalsContact NH1-CB 3.33Å; Y1507-W1567 AromaticContact CD2-CD1 3.69Å; Y1507-W1567 AromaticContact CD2-NE1 3.54Å; Y1507-W1567 AromaticContact CE2-CD1 3.65Å; Y1507-W1567 AromaticContact CE2-NE1 3.49Å; F1565-W1567 HydrophobicContact CD1-CH2 4.48Å; F1565-W1567 AromaticContact CD1-CZ2 3.8Å; F1565-W1567 HydrophobicContact CD1-CZ2 3.96Å; F1565-W1567 HydrophobicContact CE1-CZ2 4.44Å; W1567-C1569 PolarHBondContact O-N 3.12Å; W1567-C1569 VanDerWaalsContact O-N 3.08Å; W1567-C1569 PolarHBondContact O-SG 3.23Å; W1567-C1569 VanDerWaalsContact O-SG 3.36Å; W1567-P1573 HydrophobicContact CB-CB 3.88Å; W1567-P1573 HydrophobicContact CB-CG 4.41Å; W1567-P1573 WeakPolarHBondContact O-CB 3.09Å; W1567-L1607 HydrophobicContact CD2-CD1 3.9Å; W1567-L1607 HydrophobicContact CE3-CB 4.08Å; W1567-L1607 HydrophobicContact CE3-CD1 3.93Å; W1567-L1607 HydrophobicContact CE3-CG 4.4Å; W1567-L1607 HydrophobicContact CG-CD1 4.37Å; W1567-L1607 HydrophobicContact CH2-CD1 4.21Å; W1567-L1607 HydrophobicContact CH2-CD2 3.7Å; W1567-L1607 HydrophobicContact CH2-CG 4.39Å; W1567-L1607 HydrophobicContact CZ2-CD1 4.18Å; W1567-L1607 HydrophobicContact CZ2-CD2 4.23Å; W1567-L1607 HydrophobicContact CZ3-CB 3.92Å; W1567-L1607 HydrophobicContact CZ3-CD1 4.07Å; W1567-L1607 HydrophobicContact CZ3-CD2 3.87Å; W1567-L1607 HydrophobicContact CZ3-CG 4.18Å; W1567-L1667 HydrophobicContact CH2-CD1 4.4Å; W1567-H1670 AromaticContact CZ3-CD2 3.91Å; W1567-H1670 AromaticContact CZ3-CE1 4Å |
| 1568 | S | 88 | Confident | 78.9 | Confident | 42 Ų | 42 | 42.9 Ų | 42.9 | 29% | 0.294 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 108.1 | 174.1 | -173.8 | 0 | 0 | 0 | 0 | 110 | S1604 Q1605 H1606 | S1568-S1604 CarbonylContact O-C 3.5Å; S1568-S1604 WeakPolarHBondContact O-CA 3.31Å; S1568-Q1605 PolarHBondContact O-N 2.95Å; S1568-H1606 WeakPolarHBondContact CB-O 3.45Å; S1568-H1606 PolarHBondContact N-O 3.05Å; S1568-H1606 PolarHBondContact O-N 2.85Å |
| 1569 | C | 87.7 | Confident | 80.4 | Confident | 21.8 Ų | 21.8 | 41.7 Ų | 41.7 | 15% | 0.147 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 158.4 | 179 | -62 | 0 | 0 | 0 | 0 | 109.2 | R1459 W1567 G1571 P1573 F1602 | R1459-C1569 PolarHBondContact NH1-SG 3.35Å; R1459-C1569 VanDerWaalsContact NH1-SG 3.42Å; R1459-C1569 PolarHBondContact NH2-SG 3.29Å; W1567-C1569 PolarHBondContact O-N 3.12Å; W1567-C1569 VanDerWaalsContact O-N 3.08Å; W1567-C1569 PolarHBondContact O-SG 3.23Å; W1567-C1569 VanDerWaalsContact O-SG 3.36Å; C1569-G1571 VanDerWaalsContact C-N 3.31Å; C1569-G1571 CarbonylContact C-O 3.55Å; C1569-G1571 VanDerWaalsContact CB-O 3.25Å; C1569-G1571 WeakPolarHBondContact CB-O 3.38Å; C1569-P1573 HydrophobicContact CB-CB 4.34Å; C1569-F1602 PolarHBondContact SG-O 2.92Å; C1569-F1602 VanDerWaalsContact SG-O 3.37Å |
| 1570 | I | 87.5 | Confident | 81.3 | Confident | 125 Ų | 125 | 42.5 Ų | 42.5 | 64% | 0.641 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -67.8 | -37.9 | 176 | -60 | 174 | 0 | 0 | 0 | 110.6 | Q1605 | I1570-Q1605 HydrophobicContact CG1-CG 4.48Å; I1570-Q1605 VanDerWaalsContact CG1-NE2 3.33Å |
| 1571 | G | 84.2 | Confident | 82.1 | Confident | 28.6 Ų | 28.6 | 40.7 Ų | 40.7 | 30% | 0.295 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -106.3 | -172.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | C1569 P1573 A1601 | C1569-G1571 VanDerWaalsContact C-N 3.31Å; C1569-G1571 CarbonylContact C-O 3.55Å; C1569-G1571 VanDerWaalsContact CB-O 3.25Å; C1569-G1571 WeakPolarHBondContact CB-O 3.38Å; G1571-P1573 WeakPolarHBondContact O-CD 3.39Å; G1571-A1601 WeakPolarHBondContact CA-O 3.26Å; G1571-A1601 PolarHBondContact N-O 2.96Å |
| 1572 | N | 83.3 | Confident | 82.4 | Confident | 78.4 Ų | 78.4 | 40 Ų | 40 | 42% | 0.419 | 23% | 0.226 | S | C | . | . | trans | -62.5 | 119.5 | 177.6 | 178.3 | -12.5 | 0 | 0 | 0 | 110.9 | Y1574 N1575 | N1572-Y1574 PolarHBondContact O-N 3.27Å; N1572-Y1574 VanDerWaalsContact O-N 3.12Å; N1572-Y1574 WeakPolarHBondContact OD1-CB 3.36Å; N1572-Y1574 WeakPolarHBondContact OD1-CD2 3.37Å; N1572-Y1574 PolarHBondContact OD1-N 3.01Å; N1572-N1575 HydrophobicContact CB-CB 3.95Å; N1572-N1575 PolarHBondContact O-N 3.24Å | ||
| 1573 | P | 83.5 | Confident | 82.5 | Confident | 22.2 Ų | 22.2 | 39.8 Ų | 39.8 | 14% | 0.144 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -18.4 | -177.9 | 24.8 | -34.2 | 0 | 0 | 0 | 114.3 | R1459 W1567 C1569 G1571 F1602 | R1459-P1573 PolarHBondContact NH1-O 3.11Å; R1459-P1573 VanDerWaalsContact NH2-CB 3.32Å; R1459-P1573 PolarHBondContact NH2-O 3.34Å; W1567-P1573 HydrophobicContact CB-CB 3.88Å; W1567-P1573 HydrophobicContact CB-CG 4.41Å; W1567-P1573 WeakPolarHBondContact O-CB 3.09Å; C1569-P1573 HydrophobicContact CB-CB 4.34Å; G1571-P1573 WeakPolarHBondContact O-CD 3.39Å; P1573-F1602 WeakPolarHBondContact O-CE2 3.34Å |
| 1574 | Y | 82.2 | Confident | 82.3 | Confident | 38.2 Ų | 38.2 | 41.8 Ų | 41.8 | 15% | 0.15 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -8.7 | 178.3 | -50.1 | -64.9 | 0 | 0 | 0 | 112.7 | S1285 G1504 K1505 Y1507 N1572 H1576 | S1285-Y1574 WeakPolarHBondContact CB-O 3.37Å; S1285-Y1574 PolarHBondContact OG-O 2.84Å; G1504-Y1574 VanDerWaalsContact C-CE1 3.49Å; G1504-Y1574 WeakPolarHBondContact O-CD1 3.25Å; G1504-Y1574 VanDerWaalsContact O-CE1 3.26Å; G1504-Y1574 WeakPolarHBondContact O-CE1 3.4Å; G1504-Y1574 WeakPolarHBondContact O-CE2 3.39Å; G1504-Y1574 VanDerWaalsContact O-CZ 3.29Å; G1504-Y1574 PolarHBondContact O-OH 3.12Å; G1504-Y1574 VanDerWaalsContact O-OH 3.1Å; K1505-Y1574 VanDerWaalsContact C-OH 3.32Å; K1505-Y1574 PolarHBondContact O-OH 2.82Å; K1505-Y1574 VanDerWaalsContact O-OH 3.12Å; Y1507-Y1574 HydrophobicContact CD2-CE1 4.32Å; Y1507-Y1574 HydrophobicContact CE2-CD1 4.46Å; Y1507-Y1574 AromaticContact CE2-CE1 3.65Å; Y1507-Y1574 HydrophobicContact CE2-CE1 3.97Å; Y1507-Y1574 AromaticContact CZ-CE1 3.96Å; N1572-Y1574 PolarHBondContact O-N 3.27Å; N1572-Y1574 VanDerWaalsContact O-N 3.12Å; N1572-Y1574 WeakPolarHBondContact OD1-CB 3.36Å; N1572-Y1574 WeakPolarHBondContact OD1-CD2 3.37Å; N1572-Y1574 PolarHBondContact OD1-N 3.01Å; Y1574-H1576 PolarHBondContact O-CD2 3.19Å; Y1574-H1576 VanDerWaalsContact O-CD2 3.31Å; Y1574-H1576 PolarHBondContact O-N 3.23Å; Y1574-H1576 PolarHBondContact O-ND1 3.01Å |
| 1575 | N | 84.7 | Confident | 81.9 | Confident | 47.8 Ų | 47.8 | 41.7 Ų | 41.7 | 26% | 0.256 | 25% | 0.246 | S | C | . | . | trans | -83.1 | 64.3 | 178.1 | -166.2 | -5.7 | 0 | 0 | 0 | 112.1 | P1286 N1572 N1577 A1578 | P1286-N1575 HydrophobicContact CG-CB 3.64Å; P1286-N1575 VanDerWaalsContact CG-CG 3.43Å; N1572-N1575 HydrophobicContact CB-CB 3.95Å; N1572-N1575 PolarHBondContact O-N 3.24Å; N1575-N1577 PolarHBondContact O-N 2.92Å; N1575-N1577 VanDerWaalsContact O-N 3.11Å; N1575-N1577 PolarHBondContact OD1-N 2.98Å; N1575-A1578 HydrophobicContact CB-CB 4.47Å; N1575-A1578 PolarHBondContact O-N 3.18Å; N1575-A1578 WeakPolarHBondContact OD1-CB 3.37Å; N1575-A1578 PolarHBondContact OD1-N 3.11Å; N1575-A1578 VanDerWaalsContact OD1-N 3.09Å | ||
| 1576 | H | 84.8 | Confident | 81.3 | Confident | 3.4 Ų | 3.4 | 42.3 Ų | 42.3 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -11.9 | 173.9 | 68.9 | 62.9 | 0 | 0 | 0 | 112.8 | D1282 S1285 K1384 F1386 L1460 H1463 Y1574 F1602 | D1282-H1576 IonicContact OD2-CE1 3.05Å; D1282-H1576 PolarHBondContact OD2-CE1 3.07Å; D1282-H1576 VanDerWaalsContact OD2-CE1 3.25Å; D1282-H1576 IonicContact OD2-ND1 3.49Å; D1282-H1576 IonicContact OD2-NE2 2.97Å; D1282-H1576 PolarHBondContact OD2-NE2 3.13Å; S1285-H1576 VanDerWaalsContact CB-CD2 3.46Å; S1285-H1576 WeakPolarHBondContact CB-CD2 3.35Å; S1285-H1576 WeakPolarHBondContact CB-CE1 3.31Å; S1285-H1576 WeakPolarHBondContact CB-ND1 3.39Å; S1285-H1576 WeakPolarHBondContact CB-NE2 3.39Å; S1285-H1576 PolarHBondContact OG-CE1 2.97Å; S1285-H1576 VanDerWaalsContact OG-CE1 3.28Å; S1285-H1576 PolarHBondContact OG-ND1 3.09Å; S1285-H1576 PolarHBondContact OG-NE2 2.99Å; S1285-H1576 VanDerWaalsContact OG-NE2 3.13Å; K1384-H1576 WeakPolarHBondContact CD-ND1 3.34Å; K1384-H1576 PolarHBondContact NZ-CD2 2.9Å; K1384-H1576 VanDerWaalsContact NZ-CD2 3.27Å; K1384-H1576 PolarHBondContact NZ-ND1 2.98Å; K1384-H1576 PolarHBondContact NZ-O 3Å; F1386-H1576 AromaticContact CE1-CE1 3.96Å; F1386-H1576 AromaticContact CE1-NE2 3.89Å; F1386-H1576 AromaticContact CZ-CE1 3.78Å; F1386-H1576 AromaticContact CZ-NE2 3.62Å; L1460-H1576 HydrophobicContact CD1-CB 4.26Å; H1463-H1576 AromaticContact CD2-CD2 3.96Å; H1463-H1576 AromaticContact CD2-CE1 3.95Å; H1463-H1576 AromaticContact CD2-NE2 3.88Å; H1463-H1576 AromaticContact CE1-CD2 3.33Å; H1463-H1576 PolarHBondContact CE1-CD2 2.88Å; H1463-H1576 VanDerWaalsContact CE1-CD2 3.48Å; H1463-H1576 AromaticContact CE1-CE1 3.8Å; H1463-H1576 AromaticContact CE1-CG 3.26Å; H1463-H1576 AromaticContact CE1-ND1 3.59Å; H1463-H1576 PolarHBondContact CE1-ND1 3.13Å; H1463-H1576 AromaticContact CE1-NE2 3.75Å; H1463-H1576 AromaticContact CG-NE2 3.82Å; H1463-H1576 AromaticContact ND1-CD2 3.49Å; H1463-H1576 PolarHBondContact ND1-CD2 3.27Å; H1463-H1576 AromaticContact ND1-CE1 3.86Å; H1463-H1576 AromaticContact ND1-CG 3.88Å; H1463-H1576 AromaticContact ND1-ND1 3.84Å; H1463-H1576 AromaticContact ND1-NE2 3.71Å; H1463-H1576 PolarHBondContact ND1-NE2 2.77Å; H1463-H1576 AromaticContact NE2-CD2 3.47Å; H1463-H1576 PolarHBondContact NE2-CD2 3.06Å; H1463-H1576 VanDerWaalsContact NE2-CD2 3.34Å; H1463-H1576 AromaticContact NE2-CE1 3.84Å; H1463-H1576 AromaticContact NE2-CG 3.67Å; H1463-H1576 AromaticContact NE2-ND1 3.58Å; H1463-H1576 PolarHBondContact NE2-ND1 3.33Å; H1463-H1576 AromaticContact NE2-NE2 3.63Å; Y1574-H1576 PolarHBondContact O-CD2 3.19Å; Y1574-H1576 VanDerWaalsContact O-CD2 3.31Å; Y1574-H1576 PolarHBondContact O-N 3.23Å; Y1574-H1576 PolarHBondContact O-ND1 3.01Å; H1576-F1602 HydrophobicContact CB-CD2 4.45Å; H1576-F1602 HydrophobicContact CB-CE2 3.82Å; H1576-F1602 HydrophobicContact CB-CZ 4.26Å |
| 1577 | N | 82 | Confident | 80.5 | Confident | 20.6 Ų | 20.6 | 42.4 Ų | 42.4 | 11% | 0.11 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -24.9 | 178.5 | -67.8 | -37 | 0 | 0 | 0 | 113.5 | P1286 P1288 M1336 K1384 N1575 V1579 | P1286-N1577 PolarHBondContact O-ND2 2.99Å; P1286-N1577 VanDerWaalsContact O-ND2 3.13Å; P1288-N1577 HydrophobicContact CG-CB 4.46Å; M1336-N1577 HydrophobicContact CE-CB 4.29Å; M1336-N1577 HydrophobicContact SD-CB 4.48Å; K1384-N1577 PolarHBondContact NZ-OD1 3.04Å; N1575-N1577 PolarHBondContact O-N 2.92Å; N1575-N1577 VanDerWaalsContact O-N 3.11Å; N1575-N1577 PolarHBondContact OD1-N 2.98Å; N1577-V1579 VanDerWaalsContact C-N 3.28Å; N1577-V1579 PolarHBondContact O-N 3.09Å |
| 1578 | A | 79.4 | Confident | 79.7 | Confident | 61.6 Ų | 61.6 | 43.7 Ų | 43.7 | 51% | 0.509 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -68.9 | -19.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | N1575 S1580 | N1575-A1578 HydrophobicContact CB-CB 4.47Å; N1575-A1578 PolarHBondContact O-N 3.18Å; N1575-A1578 WeakPolarHBondContact OD1-CB 3.37Å; N1575-A1578 PolarHBondContact OD1-N 3.11Å; N1575-A1578 VanDerWaalsContact OD1-N 3.09Å; A1578-S1580 PolarHBondContact O-N 3Å; A1578-S1580 VanDerWaalsContact O-N 3.13Å; A1578-S1580 PolarHBondContact O-OG 3.27Å; A1578-S1580 VanDerWaalsContact O-OG 3.11Å |
| 1579 | V | 81.6 | Confident | 78.6 | Confident | 22.6 Ų | 22.6 | 49.7 Ų | 49.7 | 14% | 0.137 | 29% | 0.289 | C | S | . | . | trans | -68.1 | 113.5 | -179.8 | 178.6 | 0 | 0 | 0 | 0 | 110.3 | L1460 N1577 L1581 Y1599 F1602 | L1460-V1579 HydrophobicContact CD1-CB 4.14Å; L1460-V1579 HydrophobicContact CD1-CG1 4.25Å; L1460-V1579 HydrophobicContact CD1-CG2 4.06Å; L1460-V1579 HydrophobicContact CD2-CG1 4.44Å; N1577-V1579 VanDerWaalsContact C-N 3.28Å; N1577-V1579 PolarHBondContact O-N 3.09Å; V1579-L1581 HydrophobicContact CG1-CD2 4.35Å; V1579-Y1599 HydrophobicContact CG1-CD1 3.46Å; V1579-Y1599 VanDerWaalsContact CG1-CD1 3.41Å; V1579-Y1599 HydrophobicContact CG1-CE1 3.55Å; V1579-Y1599 VanDerWaalsContact CG1-CE1 3.47Å; V1579-Y1599 HydrophobicContact CG2-CD1 4.47Å; V1579-F1602 HydrophobicContact CG2-CB 3.58Å; V1579-F1602 HydrophobicContact CG2-CD1 4.21Å; V1579-F1602 HydrophobicContact CG2-CD2 4.24Å; V1579-F1602 HydrophobicContact CG2-CG 3.75Å | ||
| 1580 | S | 77.8 | Confident | 77.3 | Confident | 45.8 Ų | 45.8 | 55.3 Ų | 55.3 | 32% | 0.32 | 31% | 0.307 | S | S | . | . | trans | -123.2 | 115.1 | -179.4 | 39.3 | 0 | 0 | 0 | 0 | 110.9 | R1359 A1578 S1598 | R1359-S1580 VanDerWaalsContact CZ-CB 3.44Å; R1359-S1580 VanDerWaalsContact NH1-CB 3.29Å; R1359-S1580 VanDerWaalsContact NH2-CB 3.29Å; R1359-S1580 PolarHBondContact NH2-OG 2.83Å; A1578-S1580 PolarHBondContact O-N 3Å; A1578-S1580 VanDerWaalsContact O-N 3.13Å; A1578-S1580 PolarHBondContact O-OG 3.27Å; A1578-S1580 VanDerWaalsContact O-OG 3.11Å; S1580-S1598 VanDerWaalsContact O-CB 3.26Å; S1580-S1598 WeakPolarHBondContact O-CB 3.35Å; S1580-S1598 PolarHBondContact O-OG 3.05Å; S1580-S1598 VanDerWaalsContact O-OG 3.14Å | ||
| 1581 | L | 80.7 | Confident | 75.9 | Confident | 12.4 Ų | 12.4 | 52.6 Ų | 52.6 | 7% | 0.065 | 30% | 0.299 | C | S | . | . | trans | -80.9 | 142.6 | 179.1 | -56.5 | -170.1 | 0 | 0 | 0 | 111.4 | I1380 V1382 D1447 V1579 Y1599 | I1380-L1581 HydrophobicContact CG2-CB 4.2Å; I1380-L1581 HydrophobicContact CG2-CD1 4.39Å; I1380-L1581 WeakPolarHBondContact O-CD1 3.23Å; V1382-L1581 HydrophobicContact CG2-CD1 3.47Å; V1382-L1581 VanDerWaalsContact CG2-CD1 3.45Å; V1382-L1581 HydrophobicContact CG2-CG 4.35Å; D1447-L1581 HydrophobicContact CB-CB 4.24Å; D1447-L1581 HydrophobicContact CB-CD1 4.44Å; D1447-L1581 HydrophobicContact CB-CD2 4.22Å; D1447-L1581 HydrophobicContact CB-CG 4.39Å; D1447-L1581 WeakPolarHBondContact OD2-CA 3.29Å; D1447-L1581 WeakPolarHBondContact OD2-CD2 3.47Å; V1579-L1581 HydrophobicContact CG1-CD2 4.35Å; L1581-Y1599 HydrophobicContact CD2-CE1 3.74Å; L1581-Y1599 HydrophobicContact CD2-CE2 4.24Å; L1581-Y1599 VanDerWaalsContact CD2-CZ 3.47Å; L1581-Y1599 VanDerWaalsContact CD2-OH 3.26Å; L1581-Y1599 WeakPolarHBondContact CD2-OH 3.33Å | ||
| 1582 | C | 75.7 | Confident | 74.7 | Confident | 14 Ų | 14 | 56.2 Ų | 56.2 | 10% | 0.095 | 33% | 0.326 | C | S | . | . | trans | -112.8 | 147.7 | 178.2 | -61.1 | 0 | 0 | 0 | 0 | 110.7 | D1447 L1587 S1598 | D1447-C1582 WeakPolarHBondContact CA-O 3.34Å; D1447-C1582 WeakPolarHBondContact CB-O 3.35Å; D1447-C1582 PolarHBondContact OD1-N 2.99Å; D1447-C1582 PolarHBondContact OD2-N 3.29Å; C1582-L1587 HydrophobicContact CB-CD2 4.1Å; C1582-S1598 PolarHBondContact N-OG 3.1Å | ||
| 1583 | A | 74.3 | Confident | 73.9 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | trans | -72.5 | 144.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | A1358 I1380 D1585 K1586 L1587 | A1358-A1583 VanDerWaalsContact O-CB 3.24Å; A1358-A1583 WeakPolarHBondContact O-CB 3.44Å; A1358-A1583 PolarHBondContact O-N 2.92Å; I1380-A1583 VanDerWaalsContact CD1-CA 3.44Å; I1380-A1583 HydrophobicContact CD1-CB 3.33Å; A1583-D1585 WeakPolarHBondContact CB-OD1 3.39Å; A1583-D1585 PolarHBondContact O-N 3.11Å; A1583-K1586 HydrophobicContact CB-CB 4.33Å; A1583-K1586 HydrophobicContact CB-CD 4.27Å; A1583-K1586 HydrophobicContact CB-CG 4.37Å; A1583-K1586 CarbonylContact O-C 3.45Å; A1583-K1586 VanDerWaalsContact O-C 3.31Å; A1583-K1586 PolarHBondContact O-N 3.11Å; A1583-K1586 VanDerWaalsContact O-N 3.08Å; A1583-L1587 PolarHBondContact O-N 2.85Å | ||
| 1584 | P | 73.1 | Confident | 73.2 | Confident | 70.8 Ų | 70.8 | 64.4 Ų | 64.4 | 46% | 0.46 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -63.3 | -26.2 | -179.5 | 17.1 | -22.2 | 0 | 0 | 0 | 113.3 | L1446 P1448 K1586 | L1446-P1584 WeakPolarHBondContact O-CD 3.34Å; L1446-P1584 WeakPolarHBondContact O-CG 3.35Å; P1448-P1584 HydrophobicContact CG-CB 4.42Å; P1584-K1586 VanDerWaalsContact C-N 3.29Å; P1584-K1586 PolarHBondContact O-N 3.01Å |
| 1585 | D | 72.7 | Confident | 72.8 | Confident | 94.2 Ų | 94.2 | 73.5 Ų | 73.5 | 50% | 0.504 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -77.5 | -7.7 | 174.4 | 52.6 | -55.3 | 0 | 0 | 0 | 113.9 | A1583 | A1583-D1585 WeakPolarHBondContact CB-OD1 3.39Å; A1583-D1585 PolarHBondContact O-N 3.11Å |
| 1586 | K | 70.3 | Confident | 72.6 | Confident | 50.6 Ų | 50.6 | 72.6 Ų | 72.6 | 22% | 0.22 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -139.2 | 41.6 | -170.6 | -60.7 | 176.3 | 179.7 | 176.1 | 0 | 112.3 | V1357 A1358 F1360 A1583 P1584 | V1357-K1586 HydrophobicContact CG1-CD 3.91Å; V1357-K1586 VanDerWaalsContact CG1-CE 3.49Å; V1357-K1586 VanDerWaalsContact CG1-NZ 3.3Å; V1357-K1586 VanDerWaalsContact O-CD 3.24Å; V1357-K1586 WeakPolarHBondContact O-CD 3.22Å; V1357-K1586 WeakPolarHBondContact O-CE 3.4Å; V1357-K1586 PolarHBondContact O-NZ 3.29Å; A1358-K1586 HydrophobicContact CB-CB 3.93Å; A1358-K1586 WeakPolarHBondContact CB-O 3.38Å; F1360-K1586 PolarHBondContact O-NZ 3.2Å; A1583-K1586 HydrophobicContact CB-CB 4.33Å; A1583-K1586 HydrophobicContact CB-CD 4.27Å; A1583-K1586 HydrophobicContact CB-CG 4.37Å; A1583-K1586 CarbonylContact O-C 3.45Å; A1583-K1586 VanDerWaalsContact O-C 3.31Å; A1583-K1586 PolarHBondContact O-N 3.11Å; A1583-K1586 VanDerWaalsContact O-N 3.08Å; P1584-K1586 VanDerWaalsContact C-N 3.29Å; P1584-K1586 PolarHBondContact O-N 3.01Å |
| 1587 | L | 71.3 | Confident | 72.6 | Confident | 68 Ų | 68 | 74.2 Ų | 74.2 | 36% | 0.356 | 40% | 0.402 | S | S | . | . | trans | -70 | 144.6 | 174.5 | -62.6 | 176 | 0 | 0 | 0 | 110.1 | P1448 C1582 A1583 D1589 H1596 | P1448-L1587 HydrophobicContact CG-CD1 4.02Å; P1448-L1587 HydrophobicContact CG-CD2 3.67Å; P1448-L1587 VanDerWaalsContact CG-CD2 3.46Å; P1448-L1587 HydrophobicContact CG-CG 4.36Å; C1582-L1587 HydrophobicContact CB-CD2 4.1Å; A1583-L1587 PolarHBondContact O-N 2.85Å; L1587-D1589 PolarHBondContact O-N 3.13Å; L1587-H1596 HydrophobicContact CD1-CB 4.45Å; L1587-H1596 HydrophobicContact CD2-CB 4.22Å | ||
| 1588 | P | 69.2 | Low | 72.7 | Confident | 49.6 Ų | 49.6 | 74.1 Ų | 74.1 | 32% | 0.322 | 40% | 0.403 | S | S | . | . | trans | -67 | 138.5 | 171.9 | 27.6 | -32.5 | 0 | 0 | 0 | 110.2 | R1590 | P1588-R1590 PolarHBondContact O-N 2.95Å; P1588-R1590 VanDerWaalsContact O-N 3.11Å | ||
| 1589 | D | 64.6 | Low | 73.1 | Confident | 167.8 Ų | 167.8 | 72 Ų | 72 | 90% | 0.897 | 38% | 0.382 | S | S | * | . | trans | -58.6 | 115.5 | 174.4 | -61.5 | -46.3 | 0 | 0 | 0 | 109.9 | L1587 | L1587-D1589 PolarHBondContact O-N 3.13Š| ||
| 1590 | R | 61.2 | Low | 73.3 | Confident | 139 Ų | 139 | 72.1 Ų | 72.1 | 53% | 0.525 | 39% | 0.387 | S | S | . | . | trans | -131.7 | 158.5 | 176.2 | -72.4 | -173.2 | 173.2 | -173.6 | -2.5 | 108.9 | P1588 A1592 Q1594 | P1588-R1590 PolarHBondContact O-N 2.95Å; P1588-R1590 VanDerWaalsContact O-N 3.11Å; R1590-A1592 PolarHBondContact O-N 2.92Å; R1590-Q1594 HydrophobicContact CB-CB 4.38Å | ||
| 1591 | S | 56.9 | Low | 73.6 | Confident | 69.6 Ų | 69.6 | 72.7 Ų | 72.7 | 49% | 0.487 | 40% | 0.395 | S | S | . | . | trans | -52.3 | 137 | 169.9 | 51.3 | 0 | 0 | 0 | 0 | 110.7 | D1593 Q1594 | S1591-D1593 PolarHBondContact O-N 3.08Å; S1591-Q1594 PolarHBondContact O-N 3.12Å | ||
| 1592 | A | 60.3 | Low | 73.9 | Confident | 104.6 Ų | 104.6 | 72.4 Ų | 72.4 | 86% | 0.864 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -27 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | R1590 Q1594 | R1590-A1592 PolarHBondContact O-N 2.92Å; A1592-Q1594 VanDerWaalsContact C-N 3.34Å; A1592-Q1594 PolarHBondContact O-N 3.39Å |
| 1593 | D | 65.6 | Low | 74.5 | Confident | 151.4 Ų | 151.4 | 74.4 Ų | 74.4 | 81% | 0.81 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -22.8 | -178.3 | -50.5 | -49.1 | 0 | 0 | 0 | 113.7 | S1591 R1595 | S1591-D1593 PolarHBondContact O-N 3.08Å; D1593-R1595 PolarHBondContact O-N 3.27Å; D1593-R1595 VanDerWaalsContact O-N 3.14Å |
| 1594 | Q | 68 | Low | 75.2 | Confident | 121 Ų | 121 | 74.7 Ų | 74.7 | 57% | 0.565 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -92.1 | 98.9 | -177.3 | -71.9 | -165.9 | 6.8 | 0 | 0 | 111.9 | R1590 S1591 A1592 H1596 | R1590-Q1594 HydrophobicContact CB-CB 4.38Å; S1591-Q1594 PolarHBondContact O-N 3.12Å; A1592-Q1594 VanDerWaalsContact C-N 3.34Å; A1592-Q1594 PolarHBondContact O-N 3.39Å; Q1594-H1596 PolarHBondContact O-N 2.95Å |
| 1595 | R | 74.7 | Confident | 75.9 | Confident | 229 Ų | 229 | 76.4 Ų | 76.4 | 86% | 0.864 | 40% | 0.402 | S | S | * | . | trans | -56.6 | 132.3 | 170.4 | -65.8 | -175.1 | 179.8 | -179.5 | 0.7 | 110.9 | D1593 D1597 | D1593-R1595 PolarHBondContact O-N 3.27Å; D1593-R1595 VanDerWaalsContact O-N 3.14Å; R1595-D1597 PolarHBondContact O-N 3.06Å | ||
| 1596 | H | 81.2 | Confident | 76.7 | Confident | 27.6 Ų | 27.6 | 75 Ų | 75 | 13% | 0.128 | 39% | 0.393 | C | S | . | . | trans | -61.8 | 131.3 | 177.2 | 178.4 | 78.1 | 0 | 0 | 0 | 111.7 | D1447 S1449 L1587 Q1594 S1598 | D1447-H1596 IonicContact OD1-CD2 3.38Å; D1447-H1596 IonicContact OD1-CE1 2.93Å; D1447-H1596 IonicContact OD1-NE2 3.37Å; D1447-H1596 PolarHBondContact OD1-NE2 3.4Å; D1447-H1596 IonicContact OD2-CD2 2.69Å; D1447-H1596 IonicContact OD2-NE2 3.04Å; S1449-H1596 WeakPolarHBondContact CA-O 3.34Å; L1587-H1596 HydrophobicContact CD1-CB 4.45Å; L1587-H1596 HydrophobicContact CD2-CB 4.22Å; Q1594-H1596 PolarHBondContact O-N 2.95Å; H1596-S1598 PolarHBondContact CE1-OG 3.09Å; H1596-S1598 PolarHBondContact NE2-OG 2.81Å; H1596-S1598 VanDerWaalsContact NE2-OG 3.07Å | ||
| 1597 | D | 83.8 | Confident | 77.5 | Confident | 38 Ų | 38 | 72.6 Ų | 72.6 | 20% | 0.203 | 38% | 0.383 | C | S | . | . | trans | -143.2 | 93.1 | 175.5 | -169.4 | 4.2 | 0 | 0 | 0 | 111.8 | S1449 R1595 Y1599 G1600 R1603 | S1449-D1597 WeakPolarHBondContact CB-OD1 3.33Å; R1595-D1597 PolarHBondContact O-N 3.06Å; D1597-Y1599 PolarHBondContact O-N 2.98Å; D1597-Y1599 VanDerWaalsContact O-N 3.14Å; D1597-Y1599 WeakPolarHBondContact OD1-CA 3.38Å; D1597-Y1599 WeakPolarHBondContact OD1-CB 3.49Å; D1597-Y1599 PolarHBondContact OD1-N 2.9Å; D1597-Y1599 VanDerWaalsContact OD1-N 3.14Å; D1597-G1600 VanDerWaalsContact CG-N 3.33Å; D1597-G1600 PolarHBondContact O-N 2.9Å; D1597-G1600 VanDerWaalsContact O-N 3.11Å; D1597-G1600 PolarHBondContact OD1-N 3.06Å; D1597-G1600 WeakPolarHBondContact OD2-CA 3.21Å; D1597-G1600 PolarHBondContact OD2-N 3.01Å; D1597-R1603 IonicContact OD1-CZ 3.05Å; D1597-R1603 IonicContact OD1-NE 2.77Å; D1597-R1603 IonicContact OD1-NH1 3.06Å; D1597-R1603 IonicContact OD1-NH2 3.03Å; D1597-R1603 PolarHBondContact OD1-NH2 3.13Å; D1597-R1603 VanDerWaalsContact OD1-NH2 3.11Å; D1597-R1603 IonicContact OD2-CZ 3.49Å; D1597-R1603 VanDerWaalsContact OD2-CZ 3.22Å; D1597-R1603 IonicContact OD2-NE 3.23Å; D1597-R1603 PolarHBondContact OD2-NE 2.91Å; D1597-R1603 IonicContact OD2-NH1 3.73Å; D1597-R1603 PolarHBondContact OD2-NH1 3.03Å; D1597-R1603 IonicContact OD2-NH2 3.79Å; D1597-R1603 PolarHBondContact OD2-NH2 2.88Å; D1597-R1603 VanDerWaalsContact OD2-NH2 3.16Å | ||
| 1598 | S | 84.5 | Confident | 78.3 | Confident | 19 Ų | 19 | 71.1 Ų | 71.1 | 13% | 0.133 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -18.2 | 172.8 | -70.9 | 0 | 0 | 0 | 0 | 114.2 | D1447 S1580 C1582 H1596 | D1447-S1598 PolarHBondContact OD1-OG 2.95Å; D1447-S1598 VanDerWaalsContact OD1-OG 3.1Å; D1447-S1598 WeakPolarHBondContact OD2-CB 3.37Å; D1447-S1598 PolarHBondContact OD2-OG 2.99Å; S1580-S1598 VanDerWaalsContact O-CB 3.26Å; S1580-S1598 WeakPolarHBondContact O-CB 3.35Å; S1580-S1598 PolarHBondContact O-OG 3.05Å; S1580-S1598 VanDerWaalsContact O-OG 3.14Å; C1582-S1598 PolarHBondContact N-OG 3.1Å; H1596-S1598 PolarHBondContact CE1-OG 3.09Å; H1596-S1598 PolarHBondContact NE2-OG 2.81Å; H1596-S1598 VanDerWaalsContact NE2-OG 3.07Å |
| 1599 | Y | 87.5 | Confident | 79.2 | Confident | 17.8 Ų | 17.8 | 69.1 Ų | 69.1 | 7% | 0.07 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -1.5 | 179.1 | -55.3 | -68.1 | 0 | 0 | 0 | 113.7 | S1449 L1452 L1460 V1579 L1581 D1597 A1601 F1602 R1603 | S1449-Y1599 VanDerWaalsContact OG-CD2 3.3Å; S1449-Y1599 WeakPolarHBondContact OG-CD2 3.36Å; S1449-Y1599 VanDerWaalsContact OG-CE2 3.26Å; S1449-Y1599 WeakPolarHBondContact OG-CE2 3.39Å; L1452-Y1599 HydrophobicContact CD1-CD1 3.57Å; L1452-Y1599 VanDerWaalsContact CD1-CD1 3.48Å; L1452-Y1599 HydrophobicContact CD1-CD2 4.26Å; L1452-Y1599 HydrophobicContact CD1-CE1 3.65Å; L1452-Y1599 HydrophobicContact CD1-CE2 4.32Å; L1452-Y1599 HydrophobicContact CD1-CG 3.88Å; L1452-Y1599 HydrophobicContact CD2-CD1 4.36Å; L1452-Y1599 HydrophobicContact CD2-CD2 4.22Å; L1452-Y1599 HydrophobicContact CD2-CG 3.89Å; L1452-Y1599 HydrophobicContact CG-CD1 4.04Å; L1452-Y1599 HydrophobicContact CG-CD2 3.86Å; L1452-Y1599 HydrophobicContact CG-CE1 4.3Å; L1452-Y1599 HydrophobicContact CG-CE2 4.11Å; L1452-Y1599 HydrophobicContact CG-CG 3.81Å; L1460-Y1599 HydrophobicContact CD2-CD1 4.32Å; L1460-Y1599 HydrophobicContact CD2-CE1 3.68Å; V1579-Y1599 HydrophobicContact CG1-CD1 3.46Å; V1579-Y1599 VanDerWaalsContact CG1-CD1 3.41Å; V1579-Y1599 HydrophobicContact CG1-CE1 3.55Å; V1579-Y1599 VanDerWaalsContact CG1-CE1 3.47Å; V1579-Y1599 HydrophobicContact CG2-CD1 4.47Å; L1581-Y1599 HydrophobicContact CD2-CE1 3.74Å; L1581-Y1599 HydrophobicContact CD2-CE2 4.24Å; L1581-Y1599 VanDerWaalsContact CD2-CZ 3.47Å; L1581-Y1599 VanDerWaalsContact CD2-OH 3.26Å; L1581-Y1599 WeakPolarHBondContact CD2-OH 3.33Å; D1597-Y1599 PolarHBondContact O-N 2.98Å; D1597-Y1599 VanDerWaalsContact O-N 3.14Å; D1597-Y1599 WeakPolarHBondContact OD1-CA 3.38Å; D1597-Y1599 WeakPolarHBondContact OD1-CB 3.49Å; D1597-Y1599 PolarHBondContact OD1-N 2.9Å; D1597-Y1599 VanDerWaalsContact OD1-N 3.14Å; Y1599-A1601 VanDerWaalsContact C-N 3.3Å; Y1599-A1601 PolarHBondContact O-N 2.88Å; Y1599-A1601 VanDerWaalsContact O-N 3.11Å; Y1599-F1602 CarbonylContact O-C 3.51Å; Y1599-F1602 WeakPolarHBondContact O-CA 3.4Å; Y1599-F1602 PolarHBondContact O-N 3.14Å; Y1599-R1603 WeakPolarHBondContact O-CB 3.4Å; Y1599-R1603 PolarHBondContact O-N 3.06Å |
| 1600 | G | 86.2 | Confident | 80.2 | Confident | 23.4 Ų | 23.4 | 62.9 Ų | 62.9 | 24% | 0.241 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -41.1 | -166.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | D1597 | D1597-G1600 VanDerWaalsContact CG-N 3.33Å; D1597-G1600 PolarHBondContact O-N 2.9Å; D1597-G1600 VanDerWaalsContact O-N 3.11Å; D1597-G1600 PolarHBondContact OD1-N 3.06Å; D1597-G1600 WeakPolarHBondContact OD2-CA 3.21Å; D1597-G1600 PolarHBondContact OD2-N 3.01Å |
| 1601 | A | 84 | Confident | 81.2 | Confident | 58.4 Ų | 58.4 | 58.7 Ų | 58.7 | 48% | 0.483 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -26.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | G1571 Y1599 | G1571-A1601 WeakPolarHBondContact CA-O 3.26Å; G1571-A1601 PolarHBondContact N-O 2.96Å; Y1599-A1601 VanDerWaalsContact C-N 3.3Å; Y1599-A1601 PolarHBondContact O-N 2.88Å; Y1599-A1601 VanDerWaalsContact O-N 3.11Å |
| 1602 | F | 87.5 | Confident | 82.4 | Confident | 5.6 Ų | 5.6 | 57.2 Ų | 57.2 | 3% | 0.025 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -27.5 | -176.1 | 179.4 | -96 | 0 | 0 | 0 | 113.1 | R1459 L1460 C1569 P1573 H1576 V1579 Y1599 S1604 | R1459-F1602 HydrophobicContact CB-CZ 4.17Å; R1459-F1602 HydrophobicContact CG-CE2 4.46Å; R1459-F1602 HydrophobicContact CG-CZ 3.86Å; R1459-F1602 PolarHBondContact NH1-O 3.32Å; R1459-F1602 PolarHBondContact NH2-O 3.15Å; L1460-F1602 HydrophobicContact CB-CE1 3.88Å; L1460-F1602 HydrophobicContact CB-CZ 4.16Å; L1460-F1602 HydrophobicContact CD1-CE1 4.29Å; L1460-F1602 HydrophobicContact CD1-CZ 4.42Å; C1569-F1602 PolarHBondContact SG-O 2.92Å; C1569-F1602 VanDerWaalsContact SG-O 3.37Å; P1573-F1602 WeakPolarHBondContact O-CE2 3.34Å; H1576-F1602 HydrophobicContact CB-CD2 4.45Å; H1576-F1602 HydrophobicContact CB-CE2 3.82Å; H1576-F1602 HydrophobicContact CB-CZ 4.26Å; V1579-F1602 HydrophobicContact CG2-CB 3.58Å; V1579-F1602 HydrophobicContact CG2-CD1 4.21Å; V1579-F1602 HydrophobicContact CG2-CD2 4.24Å; V1579-F1602 HydrophobicContact CG2-CG 3.75Å; Y1599-F1602 CarbonylContact O-C 3.51Å; Y1599-F1602 WeakPolarHBondContact O-CA 3.4Å; Y1599-F1602 PolarHBondContact O-N 3.14Å; F1602-S1604 PolarHBondContact O-N 3.01Å |
| 1603 | R | 88.4 | Confident | 83.3 | Confident | 57.2 Ų | 57.2 | 53.9 Ų | 53.9 | 22% | 0.216 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -57.7 | 128.4 | 179.4 | -174.3 | -177.4 | -63.4 | -163.3 | 3.3 | 109.5 | P1450 P1451 L1452 D1456 D1597 Y1599 Q1605 | P1450-R1603 PolarHBondContact O-NH1 3.03Å; P1450-R1603 PolarHBondContact O-NH2 3.07Å; P1450-R1603 VanDerWaalsContact O-NH2 3.12Å; P1451-R1603 PolarHBondContact O-NH1 3.31Å; L1452-R1603 HydrophobicContact CD2-CB 4.3Å; L1452-R1603 HydrophobicContact CD2-CG 4.24Å; D1456-R1603 WeakPolarHBondContact OD2-CA 3.45Å; D1456-R1603 VanDerWaalsContact OD2-CG 3.26Å; D1456-R1603 WeakPolarHBondContact OD2-CG 3.35Å; D1597-R1603 IonicContact OD1-CZ 3.05Å; D1597-R1603 IonicContact OD1-NE 2.77Å; D1597-R1603 IonicContact OD1-NH1 3.06Å; D1597-R1603 IonicContact OD1-NH2 3.03Å; D1597-R1603 PolarHBondContact OD1-NH2 3.13Å; D1597-R1603 VanDerWaalsContact OD1-NH2 3.11Å; D1597-R1603 IonicContact OD2-CZ 3.49Å; D1597-R1603 VanDerWaalsContact OD2-CZ 3.22Å; D1597-R1603 IonicContact OD2-NE 3.23Å; D1597-R1603 PolarHBondContact OD2-NE 2.91Å; D1597-R1603 IonicContact OD2-NH1 3.73Å; D1597-R1603 PolarHBondContact OD2-NH1 3.03Å; D1597-R1603 IonicContact OD2-NH2 3.79Å; D1597-R1603 PolarHBondContact OD2-NH2 2.88Å; D1597-R1603 VanDerWaalsContact OD2-NH2 3.16Å; Y1599-R1603 WeakPolarHBondContact O-CB 3.4Å; Y1599-R1603 PolarHBondContact O-N 3.06Å; R1603-Q1605 PolarHBondContact O-N 2.65Å |
| 1604 | S | 89.3 | Confident | 83.8 | Confident | 6.8 Ų | 6.8 | 48.7 Ų | 48.7 | 5% | 0.048 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 132.3 | 175.7 | 54.9 | 0 | 0 | 0 | 0 | 110.1 | W1455 D1456 S1568 F1602 H1670 | W1455-S1604 PolarHBondContact NE1-OG 3.18Å; W1455-S1604 VanDerWaalsContact NE1-OG 3.13Å; D1456-S1604 VanDerWaalsContact CG-OG 3.27Å; D1456-S1604 WeakPolarHBondContact OD1-CB 3.34Å; D1456-S1604 PolarHBondContact OD1-OG 3.03Å; D1456-S1604 PolarHBondContact OD2-N 2.93Å; D1456-S1604 PolarHBondContact OD2-OG 3.14Å; D1456-S1604 VanDerWaalsContact OD2-OG 3.04Å; S1568-S1604 CarbonylContact O-C 3.5Å; S1568-S1604 WeakPolarHBondContact O-CA 3.31Å; F1602-S1604 PolarHBondContact O-N 3.01Å; S1604-H1670 VanDerWaalsContact CB-CE1 3.48Å; S1604-H1670 WeakPolarHBondContact CB-CE1 3.31Å; S1604-H1670 VanDerWaalsContact CB-NE2 3.3Å; S1604-H1670 WeakPolarHBondContact CB-NE2 3.39Å; S1604-H1670 PolarHBondContact O-CE1 3.12Å; S1604-H1670 VanDerWaalsContact O-CE1 3.29Å; S1604-H1670 PolarHBondContact O-NE2 3.21Å; S1604-H1670 PolarHBondContact OG-CE1 3.11Å; S1604-H1670 PolarHBondContact OG-NE2 3.19Å |
| 1605 | Q | 87.7 | Confident | 84.1 | Confident | 105.4 Ų | 105.4 | 43.3 Ų | 43.3 | 49% | 0.493 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | -42.4 | 170.1 | -66.6 | -175.3 | -12.6 | 0 | 0 | 110.1 | S1568 I1570 R1603 H1670 | S1568-Q1605 PolarHBondContact O-N 2.95Å; I1570-Q1605 HydrophobicContact CG1-CG 4.48Å; I1570-Q1605 VanDerWaalsContact CG1-NE2 3.33Å; R1603-Q1605 PolarHBondContact O-N 2.65Å; Q1605-H1670 PolarHBondContact O-CE1 3.32Å; Q1605-H1670 VanDerWaalsContact O-CE1 3.24Å; Q1605-H1670 PolarHBondContact O-ND1 3.38Å; Q1605-H1670 PolarHBondContact O-NE2 3.32Å |
| 1606 | H | 87.6 | Confident | 83.7 | Confident | 65.8 Ų | 65.8 | 37 Ų | 37 | 31% | 0.305 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 160.9 | 179.9 | -59.8 | -59.9 | 0 | 0 | 0 | 111.4 | S1568 H1670 K1672 | S1568-H1606 WeakPolarHBondContact CB-O 3.45Å; S1568-H1606 PolarHBondContact N-O 3.05Å; S1568-H1606 PolarHBondContact O-N 2.85Å; H1606-H1670 VanDerWaalsContact C-CE1 3.41Å; H1606-H1670 CarbonylContact C-O 3.56Å; H1606-H1670 VanDerWaalsContact CA-CE1 3.45Å; H1606-H1670 WeakPolarHBondContact CA-CE1 3.21Å; H1606-H1670 WeakPolarHBondContact CA-O 3.41Å; H1606-H1670 PolarHBondContact N-CE1 2.85Å; H1606-K1672 HydrophobicContact CB-CB 3.66Å; H1606-K1672 HydrophobicContact CB-CD 4.14Å; H1606-K1672 HydrophobicContact CB-CG 4.46Å |
| 1607 | L | 87.4 | Confident | 82.8 | Confident | 0.4 Ų | 0.4 | 41.3 Ų | 41.3 | 0% | 0.002 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 126.8 | 171.6 | 171.6 | 59.9 | 0 | 0 | 0 | 109.7 | F1565 D1566 W1567 L1609 L1667 H1670 Y1671 K1672 | F1565-L1607 HydrophobicContact CB-CD1 3.9Å; F1565-L1607 HydrophobicContact CD1-CD1 3.95Å; F1565-L1607 HydrophobicContact CD1-CD2 3.96Å; F1565-L1607 HydrophobicContact CD1-CG 4.28Å; F1565-L1607 HydrophobicContact CE1-CD2 3.95Å; F1565-L1607 HydrophobicContact CG-CD1 4.28Å; D1566-L1607 WeakPolarHBondContact O-CD1 3.33Å; W1567-L1607 HydrophobicContact CD2-CD1 3.9Å; W1567-L1607 HydrophobicContact CE3-CB 4.08Å; W1567-L1607 HydrophobicContact CE3-CD1 3.93Å; W1567-L1607 HydrophobicContact CE3-CG 4.4Å; W1567-L1607 HydrophobicContact CG-CD1 4.37Å; W1567-L1607 HydrophobicContact CH2-CD1 4.21Å; W1567-L1607 HydrophobicContact CH2-CD2 3.7Å; W1567-L1607 HydrophobicContact CH2-CG 4.39Å; W1567-L1607 HydrophobicContact CZ2-CD1 4.18Å; W1567-L1607 HydrophobicContact CZ2-CD2 4.23Å; W1567-L1607 HydrophobicContact CZ3-CB 3.92Å; W1567-L1607 HydrophobicContact CZ3-CD1 4.07Å; W1567-L1607 HydrophobicContact CZ3-CD2 3.87Å; W1567-L1607 HydrophobicContact CZ3-CG 4.18Å; L1607-L1609 HydrophobicContact CD1-CD2 4.14Å; L1607-L1609 HydrophobicContact CD2-CD2 4.02Å; L1607-L1609 HydrophobicContact CD2-CG 4.49Å; L1607-L1609 HydrophobicContact CG-CD2 3.98Å; L1607-L1609 HydrophobicContact CG-CG 4.33Å; L1607-L1667 HydrophobicContact CD2-CD1 4.04Å; L1607-H1670 WeakPolarHBondContact CB-ND1 3.43Å; L1607-H1670 PolarHBondContact N-ND1 2.93Å; L1607-H1670 PolarHBondContact N-O 3.09Å; L1607-Y1671 HydrophobicContact CB-CD1 4.25Å; L1607-Y1671 HydrophobicContact CD2-CD1 3.8Å; L1607-Y1671 HydrophobicContact CD2-CE1 3.52Å; L1607-Y1671 VanDerWaalsContact CD2-CE1 3.49Å; L1607-Y1671 HydrophobicContact CG-CD1 4.04Å; L1607-Y1671 HydrophobicContact CG-CE1 4.23Å; L1607-Y1671 CarbonylContact O-C 3.58Å; L1607-Y1671 VanDerWaalsContact O-CA 3.29Å; L1607-Y1671 WeakPolarHBondContact O-CA 3.4Å; L1607-K1672 PolarHBondContact O-N 3.14Å |
| 1608 | N | 89.5 | Confident | 81.4 | Confident | 35.8 Ų | 35.8 | 43.6 Ų | 43.6 | 19% | 0.191 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 134.8 | 168.8 | -58.5 | -37.4 | 0 | 0 | 0 | 109 | D1566 K1673 | D1566-N1608 HydrophobicContact CB-CB 4.08Å; D1566-N1608 PolarHBondContact N-O 3.09Å; D1566-N1608 PolarHBondContact O-N 3.02Å; D1566-N1608 PolarHBondContact OD2-ND2 3.15Å; D1566-N1608 VanDerWaalsContact OD2-ND2 3.1Å; N1608-K1673 CarbonylContact C-O 3.52Å; N1608-K1673 VanDerWaalsContact CA-O 3.29Å; N1608-K1673 WeakPolarHBondContact CA-O 3.37Å; N1608-K1673 HydrophobicContact CB-CB 4.32Å; N1608-K1673 WeakPolarHBondContact OD1-CB 3.33Å; N1608-K1673 PolarHBondContact OD1-N 2.87Å; N1608-K1673 VanDerWaalsContact OD1-N 3.14Å |
| 1609 | L | 86.8 | Confident | 79.9 | Confident | 6.8 Ų | 6.8 | 55.2 Ų | 55.2 | 4% | 0.036 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 137.9 | 177.7 | -66.8 | -176.1 | 0 | 0 | 0 | 110.5 | L1563 R1564 F1565 L1607 F1611 Y1671 K1673 L1674 N1675 | L1563-L1609 HydrophobicContact CD1-CD2 4.38Å; R1564-L1609 WeakPolarHBondContact O-CA 3.4Å; F1565-L1609 HydrophobicContact CB-CD2 4.4Å; F1565-L1609 HydrophobicContact CD1-CD2 3.46Å; F1565-L1609 VanDerWaalsContact CD1-CD2 3.45Å; F1565-L1609 HydrophobicContact CD2-CD2 3.79Å; F1565-L1609 HydrophobicContact CE1-CD2 3.73Å; F1565-L1609 HydrophobicContact CE2-CD2 4.08Å; F1565-L1609 HydrophobicContact CG-CD2 3.99Å; F1565-L1609 HydrophobicContact CZ-CD2 4.13Å; L1607-L1609 HydrophobicContact CD1-CD2 4.14Å; L1607-L1609 HydrophobicContact CD2-CD2 4.02Å; L1607-L1609 HydrophobicContact CD2-CG 4.49Å; L1607-L1609 HydrophobicContact CG-CD2 3.98Å; L1607-L1609 HydrophobicContact CG-CG 4.33Å; L1609-F1611 HydrophobicContact CB-CD2 4.44Å; L1609-F1611 HydrophobicContact CB-CE2 4.03Å; L1609-F1611 HydrophobicContact CD1-CE2 3.85Å; L1609-F1611 HydrophobicContact CD1-CZ 4.11Å; L1609-F1611 HydrophobicContact CG-CE2 4.49Å; L1609-Y1671 HydrophobicContact CD1-CD1 3.77Å; L1609-Y1671 HydrophobicContact CD1-CD2 4.44Å; L1609-Y1671 HydrophobicContact CD1-CE1 3.46Å; L1609-Y1671 VanDerWaalsContact CD1-CE1 3.41Å; L1609-Y1671 HydrophobicContact CD1-CE2 4.32Å; L1609-Y1671 HydrophobicContact CD1-CG 4.2Å; L1609-Y1671 HydrophobicContact CD2-CE1 4.33Å; L1609-Y1671 HydrophobicContact CG-CD1 4.03Å; L1609-Y1671 HydrophobicContact CG-CE1 4.01Å; L1609-K1673 PolarHBondContact N-O 3.21Å; L1609-L1674 HydrophobicContact CB-CD1 4.31Å; L1609-L1674 HydrophobicContact CD1-CD1 4.22Å; L1609-L1674 CarbonylContact O-C 3.48Å; L1609-L1674 WeakPolarHBondContact O-CA 3.4Å; L1609-N1675 PolarHBondContact O-N 3.04Å |
| 1610 | T | 86.6 | Confident | 78 | Confident | 38.4 Ų | 38.4 | 63.1 Ų | 63.1 | 24% | 0.236 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 118.4 | 166.6 | -52 | 0 | 0 | 0 | 0 | 109.1 | L1563 R1564 I1612 N1675 | L1563-T1610 WeakPolarHBondContact CA-O 3.38Å; R1564-T1610 PolarHBondContact N-O 3.07Å; R1564-T1610 PolarHBondContact O-N 2.99Å; T1610-I1612 HydrophobicContact CG2-CD1 4.29Å; T1610-I1612 HydrophobicContact CG2-CG1 3.97Å; T1610-N1675 CarbonylContact C-O 3.57Å; T1610-N1675 WeakPolarHBondContact CA-O 3.35Å; T1610-N1675 HydrophobicContact CG2-CB 4.11Å |
| 1611 | F | 82.7 | Confident | 76.1 | Confident | 50.2 Ų | 50.2 | 64.1 Ų | 64.1 | 22% | 0.22 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 122.9 | 173.3 | -84.5 | -95.3 | 0 | 0 | 0 | 108.8 | W1492 F1561 L1563 L1609 I1613 L1674 N1675 I1676 S1677 | W1492-F1611 HydrophobicContact CH2-CE2 4.49Å; F1561-F1611 HydrophobicContact CD2-CE2 4.38Å; F1561-F1611 HydrophobicContact CD2-CZ 4.22Å; F1561-F1611 HydrophobicContact CE1-CE2 4.29Å; F1561-F1611 AromaticContact CE2-CD1 3.96Å; F1561-F1611 HydrophobicContact CE2-CD1 3.98Å; F1561-F1611 HydrophobicContact CE2-CD2 4.34Å; F1561-F1611 HydrophobicContact CE2-CE1 4.39Å; F1561-F1611 AromaticContact CE2-CE2 3.32Å; F1561-F1611 HydrophobicContact CE2-CE2 3.32Å; F1561-F1611 AromaticContact CE2-CZ 3.36Å; F1561-F1611 HydrophobicContact CE2-CZ 3.36Å; F1561-F1611 AromaticContact CZ-CD1 3.77Å; F1561-F1611 HydrophobicContact CZ-CD1 3.77Å; F1561-F1611 HydrophobicContact CZ-CD2 4.11Å; F1561-F1611 AromaticContact CZ-CE1 3.87Å; F1561-F1611 HydrophobicContact CZ-CE1 4.07Å; F1561-F1611 AromaticContact CZ-CE2 3.29Å; F1561-F1611 HydrophobicContact CZ-CE2 3.29Å; F1561-F1611 AromaticContact CZ-CZ 3.87Å; F1561-F1611 HydrophobicContact CZ-CZ 3.87Å; L1563-F1611 HydrophobicContact CD1-CD1 3.74Å; L1563-F1611 HydrophobicContact CD1-CD2 3.96Å; L1563-F1611 HydrophobicContact CD1-CE1 3.6Å; L1563-F1611 HydrophobicContact CD1-CE2 3.83Å; L1563-F1611 HydrophobicContact CD1-CG 3.92Å; L1563-F1611 HydrophobicContact CD1-CZ 3.64Å; L1563-F1611 HydrophobicContact CD2-CE1 4.11Å; L1563-F1611 HydrophobicContact CD2-CZ 4.37Å; L1563-F1611 HydrophobicContact CG-CE1 4.41Å; L1609-F1611 HydrophobicContact CB-CD2 4.44Å; L1609-F1611 HydrophobicContact CB-CE2 4.03Å; L1609-F1611 HydrophobicContact CD1-CE2 3.85Å; L1609-F1611 HydrophobicContact CD1-CZ 4.11Å; L1609-F1611 HydrophobicContact CG-CE2 4.49Å; F1611-I1613 HydrophobicContact CD1-CD1 4.3Å; F1611-I1613 HydrophobicContact CD1-CG1 4.15Å; F1611-I1613 HydrophobicContact CE1-CD1 3.29Å; F1611-I1613 HydrophobicContact CE1-CG1 3.54Å; F1611-I1613 HydrophobicContact CZ-CD1 3.7Å; F1611-I1613 HydrophobicContact CZ-CG1 4.05Å; F1611-L1674 HydrophobicContact CD2-CD1 4.34Å; F1611-L1674 HydrophobicContact CD2-CG 4.28Å; F1611-L1674 HydrophobicContact CE2-CD1 3.81Å; F1611-L1674 HydrophobicContact CE2-CG 4.3Å; F1611-N1675 PolarHBondContact N-O 3.29Å; F1611-I1676 HydrophobicContact CB-CG1 4.29Å; F1611-I1676 HydrophobicContact CB-CG2 4.43Å; F1611-I1676 HydrophobicContact CD1-CG2 4.19Å; F1611-I1676 HydrophobicContact CD2-CG1 4.42Å; F1611-I1676 CarbonylContact O-C 3.48Å; F1611-I1676 WeakPolarHBondContact O-CA 3.34Å; F1611-S1677 PolarHBondContact O-N 3.25Å; F1611-S1677 PolarHBondContact O-OG 3.47Å |
| 1612 | I | 81.5 | Confident | 74.4 | Confident | 39.4 Ų | 39.4 | 67.9 Ų | 67.9 | 20% | 0.202 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 121 | 175.3 | -52.4 | 175.7 | 0 | 0 | 0 | 107.5 | F1561 S1562 T1610 D1614 S1677 | F1561-I1612 CarbonylContact C-O 3.54Å; F1561-I1612 WeakPolarHBondContact CA-O 3.42Å; S1562-I1612 PolarHBondContact N-O 3.01Å; S1562-I1612 PolarHBondContact O-N 3.14Å; T1610-I1612 HydrophobicContact CG2-CD1 4.29Å; T1610-I1612 HydrophobicContact CG2-CG1 3.97Å; I1612-D1614 WeakPolarHBondContact CG2-OD2 3.14Å; I1612-S1677 CarbonylContact C-O 3.55Å; I1612-S1677 VanDerWaalsContact CA-O 3.29Å; I1612-S1677 WeakPolarHBondContact CA-O 3.27Å; I1612-S1677 WeakPolarHBondContact CG1-OG 2.91Å |
| 1613 | I | 78.8 | Confident | 72.8 | Confident | 35.2 Ų | 35.2 | 71.2 Ų | 71.2 | 18% | 0.181 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 110.8 | 172.1 | -60.5 | 175.6 | 0 | 0 | 0 | 106.4 | L1558 F1559 F1561 F1611 V1615 S1677 I1678 S1679 L1680 | L1558-I1613 HydrophobicContact CD1-CG2 4.48Å; F1559-I1613 HydrophobicContact CD1-CG2 4.19Å; F1559-I1613 HydrophobicContact CE1-CG2 4.26Å; F1559-I1613 HydrophobicContact CE2-CG2 3.72Å; F1559-I1613 HydrophobicContact CZ-CG2 4.19Å; F1561-I1613 HydrophobicContact CD2-CD1 4.21Å; F1561-I1613 HydrophobicContact CD2-CG1 3.82Å; F1561-I1613 HydrophobicContact CE2-CD1 4.13Å; F1561-I1613 HydrophobicContact CE2-CG1 4.22Å; F1611-I1613 HydrophobicContact CD1-CD1 4.3Å; F1611-I1613 HydrophobicContact CD1-CG1 4.15Å; F1611-I1613 HydrophobicContact CE1-CD1 3.29Å; F1611-I1613 HydrophobicContact CE1-CG1 3.54Å; F1611-I1613 HydrophobicContact CZ-CD1 3.7Å; F1611-I1613 HydrophobicContact CZ-CG1 4.05Å; I1613-V1615 HydrophobicContact CG2-CG2 4.16Å; I1613-S1677 PolarHBondContact N-O 3.16Å; I1613-I1678 HydrophobicContact CB-CB 4.47Å; I1613-I1678 HydrophobicContact CB-CG1 4.23Å; I1613-I1678 HydrophobicContact CB-CG2 4.15Å; I1613-I1678 HydrophobicContact CD1-CD1 4.34Å; I1613-I1678 HydrophobicContact CD1-CG1 4.14Å; I1613-I1678 HydrophobicContact CG1-CG1 4.26Å; I1613-I1678 HydrophobicContact CG2-CG2 4.19Å; I1613-I1678 CarbonylContact O-C 3.56Å; I1613-I1678 VanDerWaalsContact O-CA 3.31Å; I1613-I1678 WeakPolarHBondContact O-CA 3.37Å; I1613-S1679 PolarHBondContact O-N 3.09Å; I1613-S1679 PolarHBondContact O-OG 3.06Å; I1613-L1680 HydrophobicContact CG2-CD2 4.47Å |
| 1614 | D | 77.1 | Confident | 71.5 | Confident | 42.4 Ų | 42.4 | 69.9 Ų | 69.9 | 23% | 0.227 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 127.6 | 173.8 | -146.2 | -8.4 | 0 | 0 | 0 | 109.3 | F1559 L1560 I1612 H1616 S1679 | F1559-D1614 CarbonylContact C-O 3.53Å; F1559-D1614 WeakPolarHBondContact CA-O 3.45Å; F1559-D1614 WeakPolarHBondContact CB-O 3.49Å; F1559-D1614 PolarHBondContact N-O 2.97Å; L1560-D1614 HydrophobicContact CB-CB 4.46Å; L1560-D1614 PolarHBondContact N-O 3.17Å; L1560-D1614 PolarHBondContact O-N 3Å; I1612-D1614 WeakPolarHBondContact CG2-OD2 3.14Å; D1614-H1616 IonicContact OD1-CE1 3.18Å; D1614-H1616 PolarHBondContact OD1-CE1 3.24Å; D1614-H1616 IonicContact OD1-ND1 3.12Å; D1614-H1616 IonicContact OD2-CE1 2.99Å; D1614-H1616 PolarHBondContact OD2-CE1 3.07Å; D1614-H1616 VanDerWaalsContact OD2-CE1 3.25Å; D1614-H1616 IonicContact OD2-NE2 3.11Å; D1614-S1679 VanDerWaalsContact CA-OG 3.31Å; D1614-S1679 WeakPolarHBondContact CA-OG 3.36Å; D1614-S1679 WeakPolarHBondContact CB-OG 3.34Å; D1614-S1679 VanDerWaalsContact OD1-CB 3.23Å; D1614-S1679 WeakPolarHBondContact OD1-CB 3.43Å; D1614-S1679 PolarHBondContact OD1-OG 3.19Å |
| 1615 | V | 73.2 | Confident | 70.4 | Confident | 5.8 Ų | 5.8 | 70 Ų | 70 | 4% | 0.035 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 113.2 | -175.8 | -178.6 | 0 | 0 | 0 | 0 | 108.2 | V1555 S1557 L1558 F1559 I1613 L1625 S1679 L1680 P1681 | V1555-V1615 HydrophobicContact CG1-CG1 4.18Å; V1555-V1615 HydrophobicContact CG1-CG2 4.12Å; S1557-V1615 WeakPolarHBondContact OG-CG1 3.18Å; L1558-V1615 HydrophobicContact CG-CG2 4.33Å; F1559-V1615 HydrophobicContact CB-CG2 4.08Å; F1559-V1615 HydrophobicContact CD1-CG2 3.66Å; F1559-V1615 HydrophobicContact CD2-CG2 3.62Å; F1559-V1615 HydrophobicContact CE1-CG2 3.52Å; F1559-V1615 HydrophobicContact CE2-CG2 4.01Å; F1559-V1615 HydrophobicContact CG-CG2 4.41Å; F1559-V1615 HydrophobicContact CZ-CG2 4.18Å; I1613-V1615 HydrophobicContact CG2-CG2 4.16Å; V1615-L1625 HydrophobicContact CG1-CD1 4.18Å; V1615-S1679 WeakPolarHBondContact CB-O 3.21Å; V1615-S1679 PolarHBondContact N-O 3.09Å; V1615-L1680 HydrophobicContact CB-CD2 4.12Å; V1615-L1680 HydrophobicContact CG2-CD2 3.58Å; V1615-P1681 HydrophobicContact CB-CG 4.47Å; V1615-P1681 HydrophobicContact CG1-CG 4.09Å; V1615-P1681 WeakPolarHBondContact O-CD 3.41Å |
| 1616 | H | 67 | Low | 69.4 | Low | 97.6 Ų | 97.6 | 72 Ų | 72 | 45% | 0.452 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 129.6 | 178.7 | -62.5 | -41 | 0 | 0 | 0 | 110.5 | S1557 L1558 F1559 D1614 K1618 | S1557-H1616 WeakPolarHBondContact CB-O 3.36Å; S1557-H1616 PolarHBondContact OG-O 3.04Å; L1558-H1616 HydrophobicContact CB-CB 4.27Å; L1558-H1616 WeakPolarHBondContact CB-O 3.47Å; L1558-H1616 PolarHBondContact N-O 3.07Å; L1558-H1616 PolarHBondContact O-N 3.08Å; F1559-H1616 HydrophobicContact CB-CB 4.05Å; F1559-H1616 AromaticContact CD1-CD2 3.33Å; F1559-H1616 WeakPolarHBondContact CD1-CD2 3.34Å; F1559-H1616 AromaticContact CD1-NE2 3.29Å; F1559-H1616 VanDerWaalsContact CD1-NE2 3.29Å; F1559-H1616 WeakPolarHBondContact CD1-NE2 3.28Å; F1559-H1616 AromaticContact CD2-CD2 3.39Å; F1559-H1616 WeakPolarHBondContact CD2-CD2 3.17Å; F1559-H1616 AromaticContact CE1-CD2 3.71Å; F1559-H1616 AromaticContact CE1-NE2 3.43Å; F1559-H1616 WeakPolarHBondContact CE1-NE2 3.41Å; F1559-H1616 AromaticContact CE2-CD2 3.76Å; F1559-H1616 HydrophobicContact CG-CB 4.42Å; F1559-H1616 AromaticContact CG-CD2 3.15Å; F1559-H1616 WeakPolarHBondContact CG-CD2 3.21Å; F1559-H1616 AromaticContact CG-CG 3.89Å; F1559-H1616 AromaticContact CG-NE2 3.69Å; F1559-H1616 AromaticContact CZ-CD2 3.9Å; F1559-H1616 AromaticContact CZ-NE2 3.92Å; D1614-H1616 IonicContact OD1-CE1 3.18Å; D1614-H1616 PolarHBondContact OD1-CE1 3.24Å; D1614-H1616 IonicContact OD1-ND1 3.12Å; D1614-H1616 IonicContact OD2-CE1 2.99Å; D1614-H1616 PolarHBondContact OD2-CE1 3.07Å; D1614-H1616 VanDerWaalsContact OD2-CE1 3.25Å; D1614-H1616 IonicContact OD2-NE2 3.11Å; H1616-K1618 PolarHBondContact O-N 3.21Å |
| 1617 | E | 61.1 | Low | 68.7 | Low | 117.6 Ų | 117.6 | 69.8 Ų | 69.8 | 55% | 0.55 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 130 | 175.4 | -147 | 167.1 | -146.1 | 0 | 0 | 110.2 | P1681 K1682 | E1617-P1681 HydrophobicContact CB-CB 4.13Å; E1617-P1681 HydrophobicContact CB-CG 4.24Å; E1617-P1681 HydrophobicContact CG-CB 3.99Å; E1617-P1681 HydrophobicContact CG-CG 4.16Å; E1617-P1681 WeakPolarHBondContact OE1-CB 3.48Å; E1617-K1682 VanDerWaalsContact OE1-CB 3.31Å; E1617-K1682 WeakPolarHBondContact OE1-CB 3.11Å; E1617-K1682 PolarHBondContact OE1-N 3.02Å; E1617-K1682 IonicContact OE1-NZ 2.71Å; E1617-K1682 PolarHBondContact OE1-NZ 2.75Å |
| 1618 | K | 55 | Low | 68 | Low | 87.4 Ų | 87.4 | 72.1 Ų | 72.1 | 38% | 0.38 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -82.2 | 132.7 | 167.1 | -80.9 | -179.1 | 175.8 | 173.1 | 0 | 107.8 | E1556 L1558 H1616 E1620 C1621 | E1556-K1618 WeakPolarHBondContact O-CE 3.38Å; E1556-K1618 PolarHBondContact O-NZ 3.37Å; L1558-K1618 HydrophobicContact CD1-CD 4.22Å; L1558-K1618 HydrophobicContact CD1-CG 4.22Å; L1558-K1618 HydrophobicContact CG-CD 4.31Å; L1558-K1618 HydrophobicContact CG-CG 4.3Å; H1616-K1618 PolarHBondContact O-N 3.21Å; K1618-E1620 PolarHBondContact O-N 2.95Å; K1618-E1620 VanDerWaalsContact O-N 3.11Å; K1618-C1621 HydrophobicContact CB-CB 4.03Å; K1618-C1621 PolarHBondContact O-N 3.14Å; K1618-C1621 VanDerWaalsContact O-N 3.15Å |
| 1619 | R | 52.9 | Low | 67.4 | Low | 261.2 Ų | 261.2 | 72 Ų | 72 | 99% | 0.986 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -15.5 | 177.3 | -67.4 | -177.5 | 177.8 | 177.1 | -2.1 | 114.8 | ||
| 1620 | E | 48.6 | Very low | 66.9 | Low | 185 Ų | 185 | 72.8 Ų | 72.8 | 86% | 0.864 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.3 | -4.3 | -173 | -64.6 | 170.1 | 174.5 | 0 | 0 | 113.8 | K1618 | K1618-E1620 PolarHBondContact O-N 2.95Å; K1618-E1620 VanDerWaalsContact O-N 3.11Å |
| 1621 | C | 46.3 | Very low | 66.3 | Low | 43.4 Ų | 43.4 | 72.7 Ų | 72.7 | 29% | 0.293 | 35% | 0.35 | S | S | . | . | trans | -105.6 | 111.7 | -173.5 | -167.4 | 0 | 0 | 0 | 0 | 110.6 | K1618 D1623 | K1618-C1621 HydrophobicContact CB-CB 4.03Å; K1618-C1621 PolarHBondContact O-N 3.14Å; K1618-C1621 VanDerWaalsContact O-N 3.15Å; C1621-D1623 VanDerWaalsContact C-N 3.32Å; C1621-D1623 PolarHBondContact O-N 2.82Å | ||
| 1622 | T | 47.9 | Very low | 65.8 | Low | 139.2 Ų | 139.2 | 72.5 Ų | 72.5 | 85% | 0.854 | 35% | 0.351 | S | S | * | . | trans | -77.3 | -13.8 | 179.5 | 47.4 | 0 | 0 | 0 | 0 | 113.8 | S1624 | T1622-S1624 PolarHBondContact O-N 3.09Å; T1622-S1624 VanDerWaalsContact O-N 3.09Å | ||
| 1623 | D | 52.6 | Low | 65.3 | Low | 73.4 Ų | 73.4 | 71 Ų | 71 | 39% | 0.393 | 34% | 0.344 | S | S | . | . | trans | -84.3 | 97.8 | -174.5 | -96.4 | -29.8 | 0 | 0 | 0 | 111.8 | E1556 C1621 R1626 | E1556-D1623 HydrophobicContact CB-CB 4.44Å; E1556-D1623 HydrophobicContact CG-CB 4.07Å; C1621-D1623 VanDerWaalsContact C-N 3.32Å; C1621-D1623 PolarHBondContact O-N 2.82Å; D1623-R1626 IonicContact OD1-CZ 3.43Å; D1623-R1626 VanDerWaalsContact OD1-CZ 3.24Å; D1623-R1626 IonicContact OD1-NE 2.66Å; D1623-R1626 PolarHBondContact OD1-NE 3.04Å; D1623-R1626 VanDerWaalsContact OD1-NE 3.13Å; D1623-R1626 IonicContact OD1-NH2 3.06Å; D1623-R1626 PolarHBondContact OD1-NH2 2.95Å; D1623-R1626 IonicContact OD2-NH2 2.61Å | ||
| 1624 | S | 61.2 | Low | 65.1 | Low | 30.8 Ų | 30.8 | 74.2 Ų | 74.2 | 22% | 0.215 | 36% | 0.357 | C | S | . | . | trans | -61.4 | 149.2 | 169.4 | 55.2 | 0 | 0 | 0 | 0 | 111.8 | T1622 R1626 K1682 L1684 | T1622-S1624 PolarHBondContact O-N 3.09Å; T1622-S1624 VanDerWaalsContact O-N 3.09Å; S1624-R1626 WeakPolarHBondContact O-CG 3.23Å; S1624-R1626 PolarHBondContact O-N 3.07Å; S1624-R1626 VanDerWaalsContact O-N 3.1Å; S1624-K1682 WeakPolarHBondContact CB-O 3.26Å; S1624-L1684 WeakPolarHBondContact OG-CD1 3.47Å; S1624-L1684 WeakPolarHBondContact OG-CG 3.39Å | ||
| 1625 | L | 66.8 | Low | 64.9 | Low | 9.8 Ų | 9.8 | 76.9 Ų | 76.9 | 5% | 0.051 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 117.2 | 179.4 | -164.3 | 145.1 | 0 | 0 | 0 | 110.7 | F1553 V1555 V1615 V1627 L1680 P1681 K1682 F1683 L1684 | F1553-L1625 HydrophobicContact CD2-CD2 4.31Å; F1553-L1625 HydrophobicContact CE1-CD1 4.29Å; F1553-L1625 HydrophobicContact CE1-CD2 4.44Å; F1553-L1625 HydrophobicContact CE2-CD1 4.26Å; F1553-L1625 HydrophobicContact CE2-CD2 3.72Å; F1553-L1625 HydrophobicContact CE2-CG 4.25Å; F1553-L1625 HydrophobicContact CZ-CD1 3.95Å; F1553-L1625 HydrophobicContact CZ-CD2 3.92Å; F1553-L1625 HydrophobicContact CZ-CG 4.35Å; V1555-L1625 HydrophobicContact CB-CD1 4.25Å; V1555-L1625 HydrophobicContact CG1-CD1 4.1Å; V1555-L1625 HydrophobicContact CG2-CB 4.32Å; V1555-L1625 HydrophobicContact CG2-CD1 3.54Å; V1555-L1625 VanDerWaalsContact CG2-CD1 3.46Å; V1555-L1625 HydrophobicContact CG2-CG 4.11Å; V1615-L1625 HydrophobicContact CG1-CD1 4.18Å; L1625-V1627 HydrophobicContact CD2-CG2 3.68Å; L1625-V1627 HydrophobicContact CG-CG2 4.42Å; L1625-L1680 HydrophobicContact CD1-CB 4.45Å; L1625-L1680 HydrophobicContact CD1-CD1 4.21Å; L1625-L1680 HydrophobicContact CD1-CD2 4.25Å; L1625-L1680 HydrophobicContact CD2-CD1 4.34Å; L1625-P1681 HydrophobicContact CD1-CG 4.07Å; L1625-K1682 PolarHBondContact N-O 3.24Å; L1625-K1682 VanDerWaalsContact N-O 3.11Å; L1625-F1683 HydrophobicContact CB-CB 3.76Å; L1625-F1683 VanDerWaalsContact CB-CB 3.47Å; L1625-F1683 HydrophobicContact CD1-CB 4.14Å; L1625-F1683 HydrophobicContact CD2-CB 3.65Å; L1625-F1683 HydrophobicContact CD2-CG 4.43Å; L1625-F1683 HydrophobicContact CG-CB 4.33Å; L1625-F1683 CarbonylContact O-C 3.55Å; L1625-F1683 VanDerWaalsContact O-CA 3.28Å; L1625-F1683 WeakPolarHBondContact O-CA 3.32Å; L1625-F1683 WeakPolarHBondContact O-CB 3.44Å; L1625-L1684 WeakPolarHBondContact O-CB 3.4Å; L1625-L1684 PolarHBondContact O-N 3.12Å |
| 1626 | R | 67.7 | Low | 65 | Low | 145.6 Ų | 145.6 | 77.2 Ų | 77.2 | 55% | 0.549 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 135.8 | -179.4 | -55 | -173.1 | -167.3 | -172.8 | 5.7 | 111.6 | F1553 R1554 D1623 S1624 L1684 | F1553-R1626 WeakPolarHBondContact CA-O 3.43Å; R1554-R1626 PolarHBondContact N-O 3.22Å; D1623-R1626 IonicContact OD1-CZ 3.43Å; D1623-R1626 VanDerWaalsContact OD1-CZ 3.24Å; D1623-R1626 IonicContact OD1-NE 2.66Å; D1623-R1626 PolarHBondContact OD1-NE 3.04Å; D1623-R1626 VanDerWaalsContact OD1-NE 3.13Å; D1623-R1626 IonicContact OD1-NH2 3.06Å; D1623-R1626 PolarHBondContact OD1-NH2 2.95Å; D1623-R1626 IonicContact OD2-NH2 2.61Å; S1624-R1626 WeakPolarHBondContact O-CG 3.23Å; S1624-R1626 PolarHBondContact O-N 3.07Å; S1624-R1626 VanDerWaalsContact O-N 3.1Å; R1626-L1684 CarbonylContact C-O 3.55Å; R1626-L1684 WeakPolarHBondContact CA-O 3.3Å; R1626-L1684 HydrophobicContact CG-CB 4.43Å; R1626-L1684 HydrophobicContact CG-CD1 4.1Å; R1626-L1684 HydrophobicContact CG-CD2 4.22Å |
| 1627 | V | 72.4 | Confident | 65.3 | Low | 20.8 Ų | 20.8 | 76.4 Ų | 76.4 | 13% | 0.126 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 118.2 | 177.4 | -168.4 | 0 | 0 | 0 | 0 | 109 | Q1552 F1553 L1625 L1629 L1684 V1685 T1686 | Q1552-V1627 WeakPolarHBondContact O-CA 3.38Å; F1553-V1627 HydrophobicContact CD1-CG1 4.46Å; F1553-V1627 HydrophobicContact CD1-CG2 3.74Å; F1553-V1627 HydrophobicContact CD2-CB 4.33Å; F1553-V1627 HydrophobicContact CD2-CG1 4.19Å; F1553-V1627 HydrophobicContact CD2-CG2 3.59Å; F1553-V1627 HydrophobicContact CE1-CB 4.25Å; F1553-V1627 HydrophobicContact CE1-CG1 3.84Å; F1553-V1627 HydrophobicContact CE1-CG2 3.38Å; F1553-V1627 HydrophobicContact CE2-CG1 3.78Å; F1553-V1627 HydrophobicContact CE2-CG2 3.85Å; F1553-V1627 VanDerWaalsContact CE2-CG2 3.45Å; F1553-V1627 HydrophobicContact CG-CG2 4.41Å; F1553-V1627 HydrophobicContact CZ-CB 4.35Å; F1553-V1627 HydrophobicContact CZ-CG1 3.45Å; F1553-V1627 VanDerWaalsContact CZ-CG1 3.45Å; F1553-V1627 HydrophobicContact CZ-CG2 3.94Å; L1625-V1627 HydrophobicContact CD2-CG2 3.68Å; L1625-V1627 HydrophobicContact CG-CG2 4.42Å; V1627-L1629 HydrophobicContact CG1-CD1 4.42Å; V1627-L1629 HydrophobicContact CG1-CD2 3.95Å; V1627-L1629 HydrophobicContact CG1-CG 4.04Å; V1627-L1684 PolarHBondContact N-O 3.05Å; V1627-V1685 HydrophobicContact CB-CB 4.41Å; V1627-V1685 HydrophobicContact CB-CG1 4.29Å; V1627-V1685 HydrophobicContact CB-CG2 4.13Å; V1627-V1685 HydrophobicContact CG1-CG1 4.41Å; V1627-V1685 HydrophobicContact CG2-CG2 4.27Å; V1627-V1685 CarbonylContact O-C 3.53Å; V1627-V1685 VanDerWaalsContact O-CA 3.3Å; V1627-V1685 WeakPolarHBondContact O-CA 3.45Å; V1627-T1686 PolarHBondContact O-N 2.94Å |
| 1628 | L | 72.6 | Confident | 66.1 | Low | 47.8 Ų | 47.8 | 74 Ų | 74 | 25% | 0.25 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 124.3 | 175.6 | -174.2 | 66.1 | 0 | 0 | 0 | 109.7 | C1550 S1551 Q1552 Y1630 T1686 W1688 | C1550-L1628 PolarHBondContact SG-O 2.79Å; S1551-L1628 WeakPolarHBondContact CA-O 3.39Å; S1551-L1628 WeakPolarHBondContact CB-O 3.29Å; S1551-L1628 PolarHBondContact OG-O 2.94Å; Q1552-L1628 PolarHBondContact O-N 3.37Å; L1628-Y1630 HydrophobicContact CD1-CE2 4.44Å; L1628-Y1630 HydrophobicContact CD2-CE2 3.98Å; L1628-Y1630 WeakPolarHBondContact CD2-OH 3.45Å; L1628-Y1630 HydrophobicContact CG-CE2 3.98Å; L1628-T1686 CarbonylContact C-O 3.56Å; L1628-T1686 WeakPolarHBondContact CA-O 3.29Å; L1628-T1686 HydrophobicContact CD1-CG2 4.27Å; L1628-W1688 VanDerWaalsContact CD1-CD1 3.41Å |
| 1629 | L | 77 | Confident | 67 | Low | 34.6 Ų | 34.6 | 74.7 Ų | 74.7 | 18% | 0.181 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 144.3 | -176.8 | -61.5 | 178.9 | 0 | 0 | 0 | 111.3 | V1627 T1633 F1634 V1685 T1686 Y1687 W1688 | V1627-L1629 HydrophobicContact CG1-CD1 4.42Å; V1627-L1629 HydrophobicContact CG1-CD2 3.95Å; V1627-L1629 HydrophobicContact CG1-CG 4.04Å; L1629-T1633 HydrophobicContact CD2-CG2 4.22Å; L1629-F1634 HydrophobicContact CD1-CE1 4.47Å; L1629-F1634 HydrophobicContact CD1-CZ 4.09Å; L1629-V1685 HydrophobicContact CD1-CG1 3.65Å; L1629-V1685 HydrophobicContact CG-CG1 4.15Å; L1629-T1686 PolarHBondContact N-O 3.15Å; L1629-Y1687 HydrophobicContact CB-CD2 4.26Å; L1629-Y1687 WeakPolarHBondContact O-CA 3.27Å; L1629-W1688 PolarHBondContact O-N 2.93Å |
| 1630 | Y | 76.6 | Confident | 68.1 | Low | 24 Ų | 24 | 63.1 Ų | 63.1 | 9% | 0.094 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 159.2 | 172 | -61 | -84.4 | 0 | 0 | 0 | 111 | V1549 L1628 N1632 T1633 F1634 W1688 S1690 F1691 | V1549-Y1630 HydrophobicContact CB-CD2 4.01Å; V1549-Y1630 HydrophobicContact CB-CE2 4.3Å; V1549-Y1630 HydrophobicContact CB-CG 4.37Å; V1549-Y1630 HydrophobicContact CG1-CD2 3.29Å; V1549-Y1630 HydrophobicContact CG1-CE2 3.87Å; V1549-Y1630 HydrophobicContact CG1-CG 3.87Å; V1549-Y1630 HydrophobicContact CG2-CD1 3.9Å; V1549-Y1630 HydrophobicContact CG2-CD2 3.69Å; V1549-Y1630 HydrophobicContact CG2-CE1 4.27Å; V1549-Y1630 HydrophobicContact CG2-CE2 4.02Å; V1549-Y1630 HydrophobicContact CG2-CG 3.59Å; L1628-Y1630 HydrophobicContact CD1-CE2 4.44Å; L1628-Y1630 HydrophobicContact CD2-CE2 3.98Å; L1628-Y1630 WeakPolarHBondContact CD2-OH 3.45Å; L1628-Y1630 HydrophobicContact CG-CE2 3.98Å; Y1630-N1632 PolarHBondContact O-N 3.01Å; Y1630-N1632 VanDerWaalsContact O-N 3.09Å; Y1630-T1633 PolarHBondContact N-OG1 3.16Å; Y1630-T1633 VanDerWaalsContact N-OG1 3.1Å; Y1630-T1633 VanDerWaalsContact O-CB 3.25Å; Y1630-T1633 WeakPolarHBondContact O-CB 3.36Å; Y1630-T1633 PolarHBondContact O-N 3.14Å; Y1630-T1633 PolarHBondContact O-OG1 3.2Å; Y1630-F1634 WeakPolarHBondContact O-CD2 3.42Å; Y1630-W1688 VanDerWaalsContact CA-O 3.25Å; Y1630-W1688 WeakPolarHBondContact CA-O 3.33Å; Y1630-W1688 HydrophobicContact CD1-CB 3.75Å; Y1630-W1688 WeakPolarHBondContact CD1-O 3.48Å; Y1630-W1688 HydrophobicContact CE1-CB 3.73Å; Y1630-W1688 HydrophobicContact CE1-CG 4.25Å; Y1630-S1690 WeakPolarHBondContact CD1-O 3.2Å; Y1630-S1690 WeakPolarHBondContact CE1-O 3.38Å; Y1630-F1691 HydrophobicContact CE1-CB 4.44Å; Y1630-F1691 HydrophobicContact CE1-CD2 4.41Å |
| 1631 | S | 74.3 | Confident | 69.5 | Low | 34.6 Ų | 34.6 | 61.4 Ų | 61.4 | 24% | 0.242 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -51.2 | -34.8 | 174.4 | -60.6 | 0 | 0 | 0 | 0 | 113.2 | Y1687 W1688 P1689 | S1631-Y1687 PolarHBondContact OG-OH 3.12Å; S1631-Y1687 VanDerWaalsContact OG-OH 3.14Å; S1631-W1688 PolarHBondContact N-O 3.09Å; S1631-P1689 VanDerWaalsContact CB-O 3.26Å; S1631-P1689 WeakPolarHBondContact CB-O 3.37Å; S1631-P1689 VanDerWaalsContact OG-CA 3.28Å; S1631-P1689 WeakPolarHBondContact OG-CA 3.29Å; S1631-P1689 PolarHBondContact OG-O 3.06Å |
| 1632 | N | 71.5 | Confident | 71 | Confident | 47.8 Ų | 47.8 | 62.8 Ų | 62.8 | 26% | 0.256 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -73.8 | -30 | -179.4 | -93.3 | -12.3 | 0 | 0 | 0 | 112.3 | F1548 Y1630 F1634 R1635 W1636 | F1548-N1632 HydrophobicContact CD1-CB 3.59Å; F1548-N1632 WeakPolarHBondContact CD1-O 3.29Å; F1548-N1632 HydrophobicContact CE1-CB 3.33Å; F1548-N1632 VanDerWaalsContact CE1-CB 3.44Å; F1548-N1632 VanDerWaalsContact CE1-CG 3.44Å; F1548-N1632 WeakPolarHBondContact CE1-O 3.46Å; F1548-N1632 HydrophobicContact CZ-CB 3.9Å; F1548-N1632 WeakPolarHBondContact CZ-O 3.41Å; Y1630-N1632 PolarHBondContact O-N 3.01Å; Y1630-N1632 VanDerWaalsContact O-N 3.09Å; N1632-F1634 VanDerWaalsContact C-N 3.3Å; N1632-F1634 PolarHBondContact O-N 2.94Å; N1632-R1635 VanDerWaalsContact O-CB 3.27Å; N1632-R1635 WeakPolarHBondContact O-CB 3.43Å; N1632-R1635 PolarHBondContact O-N 3.1Å; N1632-R1635 PolarHBondContact OD1-NH1 2.9Å; N1632-W1636 WeakPolarHBondContact O-CB 3.48Å; N1632-W1636 PolarHBondContact O-N 3.08Å; N1632-W1636 VanDerWaalsContact O-N 3.15Å |
| 1633 | T | 69.9 | Low | 72.3 | Confident | 7.2 Ų | 7.2 | 57.3 Ų | 57.3 | 4% | 0.044 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.5 | -41.9 | 178.2 | -50.8 | 0 | 0 | 0 | 0 | 111.1 | F1548 V1549 C1550 L1629 Y1630 R1635 W1636 L1637 | F1548-T1633 VanDerWaalsContact CE1-N 3.28Å; V1549-T1633 WeakPolarHBondContact CG1-OG1 3.37Å; C1550-T1633 WeakPolarHBondContact SG-CG2 3.38Å; C1550-T1633 PolarHBondContact SG-OG1 3.41Å; L1629-T1633 HydrophobicContact CD2-CG2 4.22Å; Y1630-T1633 PolarHBondContact N-OG1 3.16Å; Y1630-T1633 VanDerWaalsContact N-OG1 3.1Å; Y1630-T1633 VanDerWaalsContact O-CB 3.25Å; Y1630-T1633 WeakPolarHBondContact O-CB 3.36Å; Y1630-T1633 PolarHBondContact O-N 3.14Å; Y1630-T1633 PolarHBondContact O-OG1 3.2Å; T1633-R1635 VanDerWaalsContact C-N 3.32Å; T1633-R1635 PolarHBondContact O-N 3.13Å; T1633-W1636 PolarHBondContact O-N 3.24Å; T1633-W1636 VanDerWaalsContact O-N 3.08Å; T1633-L1637 HydrophobicContact CG2-CD1 4.34Å; T1633-L1637 HydrophobicContact CG2-CG 4.5Å; T1633-L1637 WeakPolarHBondContact O-CG 3.24Å; T1633-L1637 PolarHBondContact O-N 2.98Å |
| 1634 | F | 74.7 | Confident | 73.3 | Confident | 101.8 Ų | 101.8 | 57.5 Ų | 57.5 | 45% | 0.446 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.5 | -38.6 | 176.5 | -61.4 | -71.4 | 0 | 0 | 0 | 112.7 | L1629 Y1630 N1632 W1636 L1637 V1638 Y1687 | L1629-F1634 HydrophobicContact CD1-CE1 4.47Å; L1629-F1634 HydrophobicContact CD1-CZ 4.09Å; Y1630-F1634 WeakPolarHBondContact O-CD2 3.42Å; N1632-F1634 VanDerWaalsContact C-N 3.3Å; N1632-F1634 PolarHBondContact O-N 2.94Å; F1634-W1636 VanDerWaalsContact C-N 3.33Å; F1634-W1636 PolarHBondContact O-N 3.48Å; F1634-L1637 PolarHBondContact O-N 3.08Å; F1634-V1638 WeakPolarHBondContact O-CG2 3.34Å; F1634-V1638 PolarHBondContact O-N 2.87Å; F1634-V1638 VanDerWaalsContact O-N 3.1Å; F1634-Y1687 HydrophobicContact CD2-CE2 4.5Å; F1634-Y1687 AromaticContact CE2-CD2 3.98Å; F1634-Y1687 HydrophobicContact CE2-CD2 4.08Å; F1634-Y1687 AromaticContact CE2-CE2 3.84Å; F1634-Y1687 HydrophobicContact CE2-CE2 3.84Å |
| 1635 | R | 72.7 | Confident | 73.8 | Confident | 98.8 Ų | 98.8 | 58.9 Ų | 58.9 | 37% | 0.373 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.2 | -41.6 | 175.6 | -102.8 | -173.6 | -159.1 | 117.2 | -1.4 | 111.6 | F1548 N1632 T1633 L1637 V1638 R1639 | F1548-R1635 HydrophobicContact CE1-CB 4.44Å; F1548-R1635 HydrophobicContact CZ-CB 4.37Å; N1632-R1635 VanDerWaalsContact O-CB 3.27Å; N1632-R1635 WeakPolarHBondContact O-CB 3.43Å; N1632-R1635 PolarHBondContact O-N 3.1Å; N1632-R1635 PolarHBondContact OD1-NH1 2.9Å; T1633-R1635 VanDerWaalsContact C-N 3.32Å; T1633-R1635 PolarHBondContact O-N 3.13Å; R1635-L1637 VanDerWaalsContact C-N 3.32Å; R1635-V1638 PolarHBondContact O-N 3.1Å; R1635-R1639 WeakPolarHBondContact O-CG 3.35Å; R1635-R1639 PolarHBondContact O-N 3.24Å |
| 1636 | W | 75.7 | Confident | 74 | Confident | 13.6 Ų | 13.6 | 60.5 Ų | 60.5 | 5% | 0.052 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.6 | -38 | 177.3 | 173.8 | 89.4 | 0 | 0 | 0 | 111.8 | A1479 L1490 C1520 F1548 N1632 T1633 F1634 V1638 R1639 L1640 | A1479-W1636 HydrophobicContact CB-CZ2 4.18Å; L1490-W1636 HydrophobicContact CB-CH2 3.63Å; L1490-W1636 HydrophobicContact CB-CZ2 3.88Å; L1490-W1636 HydrophobicContact CD1-CH2 3.94Å; L1490-W1636 HydrophobicContact CD1-CZ3 4.42Å; L1490-W1636 HydrophobicContact CD2-CH2 4.2Å; L1490-W1636 HydrophobicContact CG-CH2 4.16Å; C1520-W1636 HydrophobicContact CB-CE3 4.28Å; C1520-W1636 HydrophobicContact CB-CH2 4.02Å; C1520-W1636 HydrophobicContact CB-CZ2 4.39Å; C1520-W1636 HydrophobicContact CB-CZ3 4.04Å; C1520-W1636 VanDerWaalsContact SG-CH2 3.57Å; C1520-W1636 VanDerWaalsContact SG-CZ3 3.53Å; C1520-W1636 WeakPolarHBondContact SG-CZ3 3.42Å; F1548-W1636 HydrophobicContact CD1-CB 3.92Å; F1548-W1636 HydrophobicContact CD2-CB 4.21Å; F1548-W1636 HydrophobicContact CE1-CB 4.21Å; F1548-W1636 HydrophobicContact CE2-CB 4.02Å; F1548-W1636 HydrophobicContact CG-CB 4.25Å; F1548-W1636 HydrophobicContact CG-CG 4.4Å; F1548-W1636 HydrophobicContact CZ-CB 4.34Å; N1632-W1636 WeakPolarHBondContact O-CB 3.48Å; N1632-W1636 PolarHBondContact O-N 3.08Å; N1632-W1636 VanDerWaalsContact O-N 3.15Å; T1633-W1636 PolarHBondContact O-N 3.24Å; T1633-W1636 VanDerWaalsContact O-N 3.08Å; F1634-W1636 VanDerWaalsContact C-N 3.33Å; F1634-W1636 PolarHBondContact O-N 3.48Å; W1636-V1638 VanDerWaalsContact C-N 3.33Å; W1636-V1638 PolarHBondContact O-N 2.96Å; W1636-R1639 WeakPolarHBondContact O-CB 3.15Å; W1636-R1639 PolarHBondContact O-N 2.97Å; W1636-L1640 HydrophobicContact CH2-CB 4.46Å; W1636-L1640 HydrophobicContact CH2-CD1 4.46Å; W1636-L1640 HydrophobicContact CH2-CD2 3.85Å; W1636-L1640 HydrophobicContact CH2-CG 4.47Å; W1636-L1640 HydrophobicContact CZ2-CD1 4.26Å; W1636-L1640 HydrophobicContact CZ2-CD2 4.35Å; W1636-L1640 HydrophobicContact CZ3-CD2 4.2Å; W1636-L1640 WeakPolarHBondContact O-CB 3.22Å; W1636-L1640 PolarHBondContact O-N 3.04Å |
| 1637 | L | 74.6 | Confident | 74.1 | Confident | 79.6 Ų | 79.6 | 57.7 Ų | 57.7 | 42% | 0.417 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.1 | -39.7 | 173.5 | -75.8 | 170.1 | 0 | 0 | 0 | 112.5 | T1633 F1634 R1635 L1640 R1641 | T1633-L1637 HydrophobicContact CG2-CD1 4.34Å; T1633-L1637 HydrophobicContact CG2-CG 4.5Å; T1633-L1637 WeakPolarHBondContact O-CG 3.24Å; T1633-L1637 PolarHBondContact O-N 2.98Å; F1634-L1637 PolarHBondContact O-N 3.08Å; R1635-L1637 VanDerWaalsContact C-N 3.32Å; L1637-L1640 PolarHBondContact O-N 3.03Å; L1637-R1641 WeakPolarHBondContact O-CB 3.49Å; L1637-R1641 PolarHBondContact O-N 2.96Å |
| 1638 | V | 76.2 | Confident | 74 | Confident | 67.6 Ų | 67.6 | 58.6 Ų | 58.6 | 41% | 0.41 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.9 | -45.9 | 173.3 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | F1634 R1635 W1636 L1640 R1641 D1642 | F1634-V1638 WeakPolarHBondContact O-CG2 3.34Å; F1634-V1638 PolarHBondContact O-N 2.87Å; F1634-V1638 VanDerWaalsContact O-N 3.1Å; R1635-V1638 PolarHBondContact O-N 3.1Å; W1636-V1638 VanDerWaalsContact C-N 3.33Å; W1636-V1638 PolarHBondContact O-N 2.96Å; V1638-L1640 VanDerWaalsContact C-N 3.35Å; V1638-L1640 PolarHBondContact O-N 3.08Å; V1638-R1641 WeakPolarHBondContact O-CB 3.37Å; V1638-R1641 PolarHBondContact O-N 3.17Å; V1638-D1642 WeakPolarHBondContact O-CB 3.35Å; V1638-D1642 PolarHBondContact O-N 3.17Å |
| 1639 | R | 75 | Confident | 74 | Confident | 102 Ų | 102 | 66.8 Ų | 66.8 | 39% | 0.385 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 174.3 | -72.6 | -177.5 | -178.3 | 166.8 | -2 | 112.4 | E1488 R1635 W1636 R1641 D1642 T1643 | E1488-R1639 IonicContact OE1-CZ 3.63Å; E1488-R1639 IonicContact OE1-NH1 3.07Å; E1488-R1639 PolarHBondContact OE1-NH1 2.88Å; E1488-R1639 IonicContact OE2-CZ 2.7Å; E1488-R1639 IonicContact OE2-NH1 3.29Å; E1488-R1639 PolarHBondContact OE2-NH1 3.05Å; R1635-R1639 WeakPolarHBondContact O-CG 3.35Å; R1635-R1639 PolarHBondContact O-N 3.24Å; W1636-R1639 WeakPolarHBondContact O-CB 3.15Å; W1636-R1639 PolarHBondContact O-N 2.97Å; R1639-R1641 VanDerWaalsContact C-N 3.34Å; R1639-R1641 PolarHBondContact O-N 3.19Å; R1639-D1642 PolarHBondContact O-N 3.26Å; R1639-D1642 VanDerWaalsContact O-N 3.15Å; R1639-T1643 WeakPolarHBondContact O-CB 3.26Å; R1639-T1643 WeakPolarHBondContact O-CG2 3.42Å; R1639-T1643 PolarHBondContact O-N 3.16Å; R1639-T1643 PolarHBondContact O-OG1 3.09Å; R1639-T1643 VanDerWaalsContact O-OG1 3.1Å |
| 1640 | L | 76.2 | Confident | 73.7 | Confident | 18.2 Ų | 18.2 | 69.4 Ų | 69.4 | 10% | 0.095 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.7 | -45.8 | 177.4 | 179.5 | 70.5 | 0 | 0 | 0 | 111 | L1477 A1479 L1490 W1636 L1637 V1638 D1642 T1643 V1644 | L1477-L1640 HydrophobicContact CD2-CD1 3.92Å; L1477-L1640 HydrophobicContact CG-CD1 4.18Å; A1479-L1640 HydrophobicContact CB-CB 4.28Å; A1479-L1640 HydrophobicContact CB-CD1 3.77Å; L1490-L1640 HydrophobicContact CB-CD2 4.39Å; L1490-L1640 HydrophobicContact CD2-CD2 3.75Å; W1636-L1640 HydrophobicContact CH2-CB 4.46Å; W1636-L1640 HydrophobicContact CH2-CD1 4.46Å; W1636-L1640 HydrophobicContact CH2-CD2 3.85Å; W1636-L1640 HydrophobicContact CH2-CG 4.47Å; W1636-L1640 HydrophobicContact CZ2-CD1 4.26Å; W1636-L1640 HydrophobicContact CZ2-CD2 4.35Å; W1636-L1640 HydrophobicContact CZ3-CD2 4.2Å; W1636-L1640 WeakPolarHBondContact O-CB 3.22Å; W1636-L1640 PolarHBondContact O-N 3.04Å; L1637-L1640 PolarHBondContact O-N 3.03Å; V1638-L1640 VanDerWaalsContact C-N 3.35Å; V1638-L1640 PolarHBondContact O-N 3.08Å; L1640-D1642 VanDerWaalsContact C-N 3.31Å; L1640-D1642 PolarHBondContact O-N 3.07Å; L1640-T1643 WeakPolarHBondContact CA-OG1 3.23Å; L1640-T1643 PolarHBondContact O-N 3.25Å; L1640-T1643 PolarHBondContact O-OG1 2.89Å; L1640-V1644 HydrophobicContact CD1-CG2 4.15Å; L1640-V1644 HydrophobicContact CG-CG2 4.4Å; L1640-V1644 VanDerWaalsContact O-CB 3.3Å; L1640-V1644 WeakPolarHBondContact O-CB 3.28Å; L1640-V1644 VanDerWaalsContact O-CG2 3.23Å; L1640-V1644 WeakPolarHBondContact O-CG2 3.28Å; L1640-V1644 PolarHBondContact O-N 3.12Å |
| 1641 | R | 78.2 | Confident | 73.8 | Confident | 149.8 Ų | 149.8 | 70.2 Ų | 70.2 | 57% | 0.565 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -56.8 | -47.1 | 174.1 | 179.8 | -160 | 70.9 | -174.9 | 0 | 111.2 | L1637 V1638 R1639 V1644 S1645 | L1637-R1641 WeakPolarHBondContact O-CB 3.49Å; L1637-R1641 PolarHBondContact O-N 2.96Å; V1638-R1641 WeakPolarHBondContact O-CB 3.37Å; V1638-R1641 PolarHBondContact O-N 3.17Å; R1639-R1641 VanDerWaalsContact C-N 3.34Å; R1639-R1641 PolarHBondContact O-N 3.19Å; R1641-V1644 PolarHBondContact O-N 3.04Å; R1641-S1645 VanDerWaalsContact O-CB 3.32Å; R1641-S1645 WeakPolarHBondContact O-CB 3.36Å; R1641-S1645 PolarHBondContact O-N 3.31Å; R1641-S1645 PolarHBondContact O-OG 3.2Å; R1641-S1645 VanDerWaalsContact O-OG 3.13Å |
| 1642 | D | 76.5 | Confident | 73.9 | Confident | 72.4 Ų | 72.4 | 71.9 Ų | 71.9 | 39% | 0.387 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -69.2 | -39 | -176 | -63.8 | -15.1 | 0 | 0 | 0 | 111.4 | V1638 R1639 L1640 S1645 A1646 | V1638-D1642 WeakPolarHBondContact O-CB 3.35Å; V1638-D1642 PolarHBondContact O-N 3.17Å; R1639-D1642 PolarHBondContact O-N 3.26Å; R1639-D1642 VanDerWaalsContact O-N 3.15Å; L1640-D1642 VanDerWaalsContact C-N 3.31Å; L1640-D1642 PolarHBondContact O-N 3.07Å; D1642-S1645 WeakPolarHBondContact CA-OG 3.42Å; D1642-S1645 CarbonylContact O-C 3.56Å; D1642-S1645 PolarHBondContact O-N 3.23Å; D1642-S1645 PolarHBondContact O-OG 3.12Å; D1642-A1646 WeakPolarHBondContact O-CB 3.47Å; D1642-A1646 PolarHBondContact O-N 2.99Å; D1642-A1646 VanDerWaalsContact O-N 3.11Å |
| 1643 | T | 75.6 | Confident | 74 | Confident | 24 Ų | 24 | 73.8 Ų | 73.8 | 15% | 0.147 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.5 | -43.2 | 174.4 | -20.2 | 0 | 0 | 0 | 0 | 112.2 | P1425 A1479 R1639 L1640 S1645 A1646 | P1425-T1643 HydrophobicContact CB-CG2 4.28Å; P1425-T1643 WeakPolarHBondContact CB-O 3.42Å; P1425-T1643 HydrophobicContact CG-CG2 3.87Å; P1425-T1643 VanDerWaalsContact CG-O 3.29Å; P1425-T1643 WeakPolarHBondContact CG-O 3.34Å; A1479-T1643 WeakPolarHBondContact O-CB 3.13Å; A1479-T1643 WeakPolarHBondContact O-CG2 3.4Å; A1479-T1643 PolarHBondContact O-OG1 3.38Å; R1639-T1643 WeakPolarHBondContact O-CB 3.26Å; R1639-T1643 WeakPolarHBondContact O-CG2 3.42Å; R1639-T1643 PolarHBondContact O-N 3.16Å; R1639-T1643 PolarHBondContact O-OG1 3.09Å; R1639-T1643 VanDerWaalsContact O-OG1 3.1Å; L1640-T1643 WeakPolarHBondContact CA-OG1 3.23Å; L1640-T1643 PolarHBondContact O-N 3.25Å; L1640-T1643 PolarHBondContact O-OG1 2.89Å; T1643-S1645 VanDerWaalsContact C-N 3.29Å; T1643-S1645 PolarHBondContact O-N 3.18Å; T1643-A1646 VanDerWaalsContact O-CB 3.24Å; T1643-A1646 WeakPolarHBondContact O-CB 3.42Å; T1643-A1646 PolarHBondContact O-N 3.05Å; T1643-A1646 VanDerWaalsContact O-N 3.16Å |
| 1644 | V | 73.6 | Confident | 74.4 | Confident | 76 Ų | 76 | 74.9 Ų | 74.9 | 46% | 0.461 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.2 | -31.9 | 177.1 | 171.1 | 0 | 0 | 0 | 0 | 112.1 | P1425 L1477 L1640 R1641 A1646 | P1425-V1644 HydrophobicContact CG-CG2 4.45Å; L1477-V1644 HydrophobicContact CD2-CG2 4.05Å; L1640-V1644 HydrophobicContact CD1-CG2 4.15Å; L1640-V1644 HydrophobicContact CG-CG2 4.4Å; L1640-V1644 VanDerWaalsContact O-CB 3.3Å; L1640-V1644 WeakPolarHBondContact O-CB 3.28Å; L1640-V1644 VanDerWaalsContact O-CG2 3.23Å; L1640-V1644 WeakPolarHBondContact O-CG2 3.28Å; L1640-V1644 PolarHBondContact O-N 3.12Å; R1641-V1644 PolarHBondContact O-N 3.04Å; V1644-A1646 VanDerWaalsContact C-N 3.33Å |
| 1645 | S | 71.6 | Confident | 74.7 | Confident | 60.4 Ų | 60.4 | 74.8 Ų | 74.8 | 42% | 0.422 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -4.5 | 175.2 | 63.3 | 0 | 0 | 0 | 0 | 114.2 | R1641 D1642 T1643 | R1641-S1645 VanDerWaalsContact O-CB 3.32Å; R1641-S1645 WeakPolarHBondContact O-CB 3.36Å; R1641-S1645 PolarHBondContact O-N 3.31Å; R1641-S1645 PolarHBondContact O-OG 3.2Å; R1641-S1645 VanDerWaalsContact O-OG 3.13Å; D1642-S1645 WeakPolarHBondContact CA-OG 3.42Å; D1642-S1645 CarbonylContact O-C 3.56Å; D1642-S1645 PolarHBondContact O-N 3.23Å; D1642-S1645 PolarHBondContact O-OG 3.12Å; T1643-S1645 VanDerWaalsContact C-N 3.29Å; T1643-S1645 PolarHBondContact O-N 3.18Å |
| 1646 | A | 71.6 | Confident | 75.1 | Confident | 43.2 Ų | 43.2 | 77.2 Ų | 77.2 | 36% | 0.357 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -63 | 147.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D1642 T1643 V1644 Q1666 | D1642-A1646 WeakPolarHBondContact O-CB 3.47Å; D1642-A1646 PolarHBondContact O-N 2.99Å; D1642-A1646 VanDerWaalsContact O-N 3.11Å; T1643-A1646 VanDerWaalsContact O-CB 3.24Å; T1643-A1646 WeakPolarHBondContact O-CB 3.42Å; T1643-A1646 PolarHBondContact O-N 3.05Å; T1643-A1646 VanDerWaalsContact O-N 3.16Å; V1644-A1646 VanDerWaalsContact C-N 3.33Å; A1646-Q1666 PolarHBondContact O-NE2 3.4Å |
| 1647 | I | 69 | Low | 75.2 | Confident | 86.6 Ų | 86.6 | 82 Ų | 82 | 44% | 0.444 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -92.8 | 117 | -179.3 | -57.5 | 177.6 | 0 | 0 | 0 | 109.7 | R1649 R1726 | I1647-R1649 PolarHBondContact O-N 2.92Å; I1647-R1726 HydrophobicContact CD1-CB 4.13Å; I1647-R1726 VanDerWaalsContact CG2-NH1 3.27Å |
| 1648 | N | 69.8 | Low | 75.1 | Confident | 40.6 Ų | 40.6 | 83.8 Ų | 83.8 | 22% | 0.217 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 132.3 | 178.6 | -58.4 | -30.4 | 0 | 0 | 0 | 111.8 | P1425 E1428 Q1666 R1726 | P1425-N1648 PolarHBondContact O-ND2 2.8Å; P1425-N1648 PolarHBondContact O-OD1 2.64Å; E1428-N1648 HydrophobicContact CB-CB 4.36Å; E1428-N1648 VanDerWaalsContact CB-ND2 3.34Å; E1428-N1648 WeakPolarHBondContact CB-ND2 3.31Å; E1428-N1648 VanDerWaalsContact CD-ND2 3.28Å; E1428-N1648 HydrophobicContact CG-CB 4.12Å; E1428-N1648 VanDerWaalsContact CG-ND2 3.34Å; E1428-N1648 WeakPolarHBondContact CG-ND2 3.39Å; E1428-N1648 PolarHBondContact OE2-ND2 3.16Å; N1648-Q1666 PolarHBondContact ND2-NE2 3.12Å; N1648-R1726 PolarHBondContact O-NH1 2.83Å; N1648-R1726 VanDerWaalsContact O-NH1 3.14Å |
| 1649 | R | 73 | Confident | 75 | Confident | 220.2 Ų | 220.2 | 81.8 Ų | 81.8 | 83% | 0.831 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -71.8 | 141 | 177.4 | -63.6 | -174.7 | -178.1 | -150.8 | 1.6 | 110.6 | I1647 V1651 | I1647-R1649 PolarHBondContact O-N 2.92Å; R1649-V1651 PolarHBondContact O-N 3.16Å |
| 1650 | P | 71.4 | Confident | 74.8 | Confident | 88.2 Ų | 88.2 | 83.9 Ų | 83.9 | 57% | 0.573 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -71.7 | 124.2 | 178.9 | 29 | -33.1 | 0 | 0 | 0 | 111.4 | R1653 | P1650-R1653 HydrophobicContact CB-CB 4.42Å; P1650-R1653 HydrophobicContact CB-CG 4.48Å |
| 1651 | V | 77.6 | Confident | 74.5 | Confident | 42.6 Ų | 42.6 | 88.1 Ų | 88.1 | 26% | 0.258 | 46% | 0.457 | S | S | . | . | trans | -95.4 | 130.4 | 177 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | P1429 M1433 R1649 R1653 | P1429-V1651 HydrophobicContact CB-CG2 3.7Å; M1433-V1651 HydrophobicContact CB-CG1 4.39Å; M1433-V1651 HydrophobicContact SD-CG1 4.32Å; R1649-V1651 PolarHBondContact O-N 3.16Å; V1651-R1653 VanDerWaalsContact C-N 3.31Å; V1651-R1653 WeakPolarHBondContact O-CG 3.27Å; V1651-R1653 PolarHBondContact O-N 2.95Å | ||
| 1652 | K | 76.9 | Confident | 74 | Confident | 69 Ų | 69 | 85.5 Ų | 85.5 | 30% | 0.3 | 46% | 0.458 | S | S | . | . | S | Bend | trans | 46.1 | 50.7 | 176.1 | -67.3 | -173.1 | 171.8 | 178 | 0 | 114 | D1172 E1175 M1433 Y1657 N1659 | D1172-K1652 IonicContact OD2-NZ 3.01Å; D1172-K1652 PolarHBondContact OD2-NZ 3.24Å; E1175-K1652 WeakPolarHBondContact OE1-CE 3.48Å; E1175-K1652 IonicContact OE1-NZ 2.96Å; E1175-K1652 PolarHBondContact OE1-NZ 2.75Å; M1433-K1652 HydrophobicContact CE-CD 4.49Å; M1433-K1652 HydrophobicContact SD-CD 4.21Å; K1652-Y1657 VanDerWaalsContact C-CD2 3.48Å; K1652-Y1657 HydrophobicContact CB-CD1 4.08Å; K1652-Y1657 HydrophobicContact CB-CD2 4.36Å; K1652-Y1657 HydrophobicContact CB-CE1 4.37Å; K1652-Y1657 HydrophobicContact CB-CG 4.07Å; K1652-Y1657 HydrophobicContact CD-CD1 4.43Å; K1652-Y1657 HydrophobicContact CD-CE1 4.43Å; K1652-Y1657 HydrophobicContact CG-CD1 4.01Å; K1652-Y1657 HydrophobicContact CG-CE1 3.88Å; K1652-Y1657 HydrophobicContact CG-CG 4.41Å; K1652-N1659 PolarHBondContact O-ND2 3.06Å; K1652-N1659 VanDerWaalsContact O-ND2 3.12Å |
| 1653 | R | 74.5 | Confident | 73.6 | Confident | 89 Ų | 89 | 86.4 Ų | 86.4 | 34% | 0.336 | 47% | 0.468 | S | S | . | . | trans | -122.1 | 156.7 | 176.1 | -67.5 | -174.4 | -169.3 | 168.1 | 5.2 | 111.1 | P1650 V1651 Y1657 P1663 | P1650-R1653 HydrophobicContact CB-CB 4.42Å; P1650-R1653 HydrophobicContact CB-CG 4.48Å; V1651-R1653 VanDerWaalsContact C-N 3.31Å; V1651-R1653 WeakPolarHBondContact O-CG 3.27Å; V1651-R1653 PolarHBondContact O-N 2.95Å; R1653-Y1657 WeakPolarHBondContact O-CD2 3.26Å; R1653-P1663 VanDerWaalsContact NH1-CA 3.34Å | ||
| 1654 | G | 78.5 | Confident | 73.3 | Confident | 28.4 Ų | 28.4 | 89.6 Ų | 89.6 | 29% | 0.293 | 48% | 0.48 | S | S | . | . | B | Isolated β-bridge | trans | 104.3 | -179.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | L1656 Y1657 S1658 N1659 M1660 | G1654-L1656 VanDerWaalsContact C-N 3.31Å; G1654-L1656 PolarHBondContact O-N 3.03Å; G1654-Y1657 PolarHBondContact O-N 3.11Å; G1654-Y1657 VanDerWaalsContact O-N 3.12Å; G1654-S1658 PolarHBondContact O-N 2.99Å; G1654-N1659 PolarHBondContact N-O 2.99Å; G1654-N1659 VanDerWaalsContact N-O 3.08Å; G1654-N1659 PolarHBondContact O-N 3.12Å; G1654-N1659 VanDerWaalsContact O-N 3.08Å; G1654-M1660 VanDerWaalsContact C-SD 3.55Å |
| 1655 | S | 80.3 | Confident | 73.2 | Confident | 101 Ų | 101 | 88.8 Ų | 88.8 | 71% | 0.706 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -60 | -42.1 | -174.6 | 61.2 | 0 | 0 | 0 | 0 | 112.2 | Y1657 S1658 M1660 | S1655-Y1657 PolarHBondContact O-N 2.99Å; S1655-Y1657 VanDerWaalsContact O-N 3.12Å; S1655-S1658 PolarHBondContact O-N 2.99Å; S1655-S1658 VanDerWaalsContact O-N 3.09Å; S1655-M1660 VanDerWaalsContact CA-SD 3.56Å; S1655-M1660 WeakPolarHBondContact CA-SD 3.27Å; S1655-M1660 PolarHBondContact N-SD 3.01Å |
| 1656 | L | 80.6 | Confident | 73.3 | Confident | 148.2 Ų | 148.2 | 87.6 Ų | 87.6 | 78% | 0.776 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -55.4 | -32 | 178.7 | -172.8 | 80.8 | 0 | 0 | 0 | 113.6 | G1654 | G1654-L1656 VanDerWaalsContact C-N 3.31Å; G1654-L1656 PolarHBondContact O-N 3.03Å |
| 1657 | Y | 77.5 | Confident | 73.5 | Confident | 116 Ų | 116 | 87.6 Ų | 87.6 | 46% | 0.455 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -103.8 | 13.6 | -179.7 | -61.3 | -74.4 | 0 | 0 | 0 | 113.2 | K1652 R1653 G1654 S1655 N1659 | K1652-Y1657 VanDerWaalsContact C-CD2 3.48Å; K1652-Y1657 HydrophobicContact CB-CD1 4.08Å; K1652-Y1657 HydrophobicContact CB-CD2 4.36Å; K1652-Y1657 HydrophobicContact CB-CE1 4.37Å; K1652-Y1657 HydrophobicContact CB-CG 4.07Å; K1652-Y1657 HydrophobicContact CD-CD1 4.43Å; K1652-Y1657 HydrophobicContact CD-CE1 4.43Å; K1652-Y1657 HydrophobicContact CG-CD1 4.01Å; K1652-Y1657 HydrophobicContact CG-CE1 3.88Å; K1652-Y1657 HydrophobicContact CG-CG 4.41Å; R1653-Y1657 WeakPolarHBondContact O-CD2 3.26Å; G1654-Y1657 PolarHBondContact O-N 3.11Å; G1654-Y1657 VanDerWaalsContact O-N 3.12Å; S1655-Y1657 PolarHBondContact O-N 2.99Å; S1655-Y1657 VanDerWaalsContact O-N 3.12Å; Y1657-N1659 WeakPolarHBondContact O-CB 3.34Å; Y1657-N1659 PolarHBondContact O-N 2.98Å; Y1657-N1659 VanDerWaalsContact O-N 3.08Å |
| 1658 | S | 74 | Confident | 73.8 | Confident | 116.6 Ų | 116.6 | 85.7 Ų | 85.7 | 82% | 0.815 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 22.9 | -171.6 | 67.4 | 0 | 0 | 0 | 0 | 114.4 | G1654 S1655 | G1654-S1658 PolarHBondContact O-N 2.99Å; S1655-S1658 PolarHBondContact O-N 2.99Å; S1655-S1658 VanDerWaalsContact O-N 3.09Å |
| 1659 | N | 74.2 | Confident | 74.2 | Confident | 24.4 Ų | 24.4 | 85.7 Ų | 85.7 | 13% | 0.13 | 45% | 0.45 | C | S | . | . | B | Isolated β-bridge | trans | -117.2 | 70.5 | -171.1 | -172.7 | 13 | 0 | 0 | 0 | 110.5 | K1652 G1654 Y1657 R1661 | K1652-N1659 PolarHBondContact O-ND2 3.06Å; K1652-N1659 VanDerWaalsContact O-ND2 3.12Å; G1654-N1659 PolarHBondContact N-O 2.99Å; G1654-N1659 VanDerWaalsContact N-O 3.08Å; G1654-N1659 PolarHBondContact O-N 3.12Å; G1654-N1659 VanDerWaalsContact O-N 3.08Å; Y1657-N1659 WeakPolarHBondContact O-CB 3.34Å; Y1657-N1659 PolarHBondContact O-N 2.98Å; Y1657-N1659 VanDerWaalsContact O-N 3.08Å; N1659-R1661 PolarHBondContact O-N 3.13Å; N1659-R1661 WeakPolarHBondContact OD1-CB 3.28Å; N1659-R1661 VanDerWaalsContact OD1-CD 3.24Å; N1659-R1661 WeakPolarHBondContact OD1-CD 3.34Å; N1659-R1661 WeakPolarHBondContact OD1-CG 3.38Å; N1659-R1661 PolarHBondContact OD1-NE 2.78Å; N1659-R1661 PolarHBondContact OD1-NH1 3.21Å; N1659-R1661 PolarHBondContact OD1-NH2 3.07Å |
| 1660 | M | 70.9 | Confident | 74.8 | Confident | 146.6 Ų | 146.6 | 75.9 Ų | 75.9 | 72% | 0.722 | 41% | 0.414 | S | S | * | . | trans | -80.3 | 24.6 | 179.6 | -62 | -60.5 | -74.3 | 0 | 0 | 113.6 | G1654 S1655 | G1654-M1660 VanDerWaalsContact C-SD 3.55Å; S1655-M1660 VanDerWaalsContact CA-SD 3.56Å; S1655-M1660 WeakPolarHBondContact CA-SD 3.27Å; S1655-M1660 PolarHBondContact N-SD 3.01Å | ||
| 1661 | R | 68.4 | Low | 75.4 | Confident | 106.6 Ų | 106.6 | 74.8 Ų | 74.8 | 40% | 0.402 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 140.7 | -177.3 | -68.8 | 175.8 | -174.5 | 166.1 | -3.6 | 111 | R1444 N1659 | R1444-R1661 VanDerWaalsContact CZ-CZ 3.44Å; R1444-R1661 VanDerWaalsContact NH2-CZ 3.27Å; R1444-R1661 VanDerWaalsContact NH2-NH2 3.14Å; N1659-R1661 PolarHBondContact O-N 3.13Å; N1659-R1661 WeakPolarHBondContact OD1-CB 3.28Å; N1659-R1661 VanDerWaalsContact OD1-CD 3.24Å; N1659-R1661 WeakPolarHBondContact OD1-CD 3.34Å; N1659-R1661 WeakPolarHBondContact OD1-CG 3.38Å; N1659-R1661 PolarHBondContact OD1-NE 2.78Å; N1659-R1661 PolarHBondContact OD1-NH1 3.21Å; N1659-R1661 PolarHBondContact OD1-NH2 3.07Å |
| 1662 | T | 68.7 | Low | 75.9 | Confident | 95 Ų | 95 | 76.7 Ų | 76.7 | 58% | 0.583 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 136 | 169.5 | 51.6 | 0 | 0 | 0 | 0 | 110.3 | P1451 K1664 | P1451-T1662 WeakPolarHBondContact CD-OG1 3.37Å; T1662-K1664 PolarHBondContact O-N 3.02Å |
| 1663 | P | 67.4 | Low | 76.4 | Confident | 92 Ų | 92 | 77.5 Ų | 77.5 | 60% | 0.597 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 132.7 | 177.7 | 26.2 | -32.9 | 0 | 0 | 0 | 110.1 | R1653 | R1653-P1663 VanDerWaalsContact NH1-CA 3.34Š|
| 1664 | K | 69.9 | Low | 77.1 | Confident | 91.2 Ų | 91.2 | 75.6 Ų | 75.6 | 40% | 0.397 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 142.5 | 167.8 | -66.5 | -176.3 | 177.1 | -176.1 | 0 | 109.4 | N1435 L1452 T1662 | N1435-K1664 PolarHBondContact ND2-NZ 3.01Å; N1435-K1664 PolarHBondContact OD1-NZ 3.05Å; L1452-K1664 WeakPolarHBondContact O-CE 3.14Å; L1452-K1664 PolarHBondContact O-NZ 2.83Å; T1662-K1664 PolarHBondContact O-N 3.02Å |
| 1665 | S | 71.2 | Confident | 77.7 | Confident | 59.8 Ų | 59.8 | 77.2 Ų | 77.2 | 42% | 0.418 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 145.6 | 168.9 | 84.3 | 0 | 0 | 0 | 0 | 110.4 | W1455 | W1455-S1665 VanDerWaalsContact CH2-O 3.3Å; W1455-S1665 WeakPolarHBondContact CH2-O 3.43Å; W1455-S1665 VanDerWaalsContact CH2-OG 3.26Å; W1455-S1665 WeakPolarHBondContact CH2-OG 3.31Å; W1455-S1665 WeakPolarHBondContact CZ2-OG 3.35Å; W1455-S1665 WeakPolarHBondContact CZ3-O 3.4Å |
| 1666 | Q | 74 | Confident | 78 | Confident | 34.2 Ų | 34.2 | 74.5 Ų | 74.5 | 16% | 0.16 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -86.2 | 140 | 169.9 | -69.3 | 172.8 | -67.7 | 0 | 0 | 108.5 | A1646 N1648 S1668 R1669 H1670 R1726 | A1646-Q1666 PolarHBondContact O-NE2 3.4Å; N1648-Q1666 PolarHBondContact ND2-NE2 3.12Å; Q1666-S1668 VanDerWaalsContact C-N 3.27Å; Q1666-S1668 PolarHBondContact O-N 3.15Å; Q1666-R1669 HydrophobicContact CB-CG 4.43Å; Q1666-R1669 PolarHBondContact O-N 3.04Å; Q1666-R1669 VanDerWaalsContact O-N 3.13Å; Q1666-R1669 VanDerWaalsContact OE1-CD 3.31Å; Q1666-H1670 PolarHBondContact O-N 3.2Å; Q1666-R1726 VanDerWaalsContact OE1-CZ 3.32Å |
| 1667 | L | 76.2 | Confident | 78.4 | Confident | 43.4 Ų | 43.4 | 69.7 Ų | 69.7 | 23% | 0.227 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -60.2 | -37.2 | -178.7 | -177 | 62.9 | 0 | 0 | 0 | 111.7 | F1454 W1455 W1567 L1607 R1669 H1670 Y1671 | F1454-L1667 HydrophobicContact CE1-CB 4.48Å; F1454-L1667 HydrophobicContact CZ-CD2 4.28Å; W1455-L1667 HydrophobicContact CD2-CD1 3.84Å; W1455-L1667 HydrophobicContact CE3-CB 4.01Å; W1455-L1667 HydrophobicContact CE3-CD1 3.76Å; W1455-L1667 HydrophobicContact CE3-CG 4.39Å; W1455-L1667 HydrophobicContact CG-CD1 4.25Å; W1455-L1667 HydrophobicContact CH2-CB 4.27Å; W1455-L1667 HydrophobicContact CH2-CD1 4.44Å; W1455-L1667 HydrophobicContact CZ3-CB 3.68Å; W1455-L1667 HydrophobicContact CZ3-CD1 4.1Å; W1455-L1667 HydrophobicContact CZ3-CG 4.46Å; W1567-L1667 HydrophobicContact CH2-CD1 4.4Å; L1607-L1667 HydrophobicContact CD2-CD1 4.04Å; L1667-R1669 PolarHBondContact O-N 3.11Å; L1667-R1669 VanDerWaalsContact O-N 3.14Å; L1667-H1670 HydrophobicContact CD1-CB 4.37Å; L1667-H1670 WeakPolarHBondContact O-CA 3.39Å; L1667-H1670 VanDerWaalsContact O-CB 3.29Å; L1667-H1670 WeakPolarHBondContact O-CB 3.43Å; L1667-H1670 PolarHBondContact O-N 2.92Å; L1667-Y1671 HydrophobicContact CD1-CE1 4.18Å; L1667-Y1671 HydrophobicContact CD2-CE1 4.37Å; L1667-Y1671 WeakPolarHBondContact CD2-OH 3.39Å; L1667-Y1671 HydrophobicContact CG-CE1 4.04Å; L1667-Y1671 HydrophobicContact CG-CE2 4.28Å; L1667-Y1671 WeakPolarHBondContact CG-OH 3.38Å; L1667-Y1671 VanDerWaalsContact O-CD2 3.31Å; L1667-Y1671 WeakPolarHBondContact O-CD2 3.31Å; L1667-Y1671 WeakPolarHBondContact O-CE2 3.47Å; L1667-Y1671 PolarHBondContact O-N 3.17Å |
| 1668 | S | 75.6 | Confident | 78.9 | Confident | 46.8 Ų | 46.8 | 65.9 Ų | 65.9 | 33% | 0.327 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -59.6 | -22.4 | 176.2 | 54.6 | 0 | 0 | 0 | 0 | 114.7 | Q1666 Y1671 L1712 | Q1666-S1668 VanDerWaalsContact C-N 3.27Å; Q1666-S1668 PolarHBondContact O-N 3.15Å; S1668-Y1671 WeakPolarHBondContact O-CD2 3.23Å; S1668-L1712 WeakPolarHBondContact O-CD2 3.33Å |
| 1669 | R | 78.1 | Confident | 79.4 | Confident | 40.4 Ų | 40.4 | 62 Ų | 62 | 15% | 0.152 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -99.1 | -2.7 | 175.8 | -70.7 | 178.6 | 168.9 | -105.4 | -7 | 113.3 | Q1666 L1667 L1714 K1727 T1729 | Q1666-R1669 HydrophobicContact CB-CG 4.43Å; Q1666-R1669 PolarHBondContact O-N 3.04Å; Q1666-R1669 VanDerWaalsContact O-N 3.13Å; Q1666-R1669 VanDerWaalsContact OE1-CD 3.31Å; L1667-R1669 PolarHBondContact O-N 3.11Å; L1667-R1669 VanDerWaalsContact O-N 3.14Å; R1669-L1714 HydrophobicContact CG-CD2 4.5Å; R1669-K1727 VanDerWaalsContact CZ-O 3.3Å; R1669-K1727 PolarHBondContact NH1-O 3.07Å; R1669-K1727 PolarHBondContact NH2-O 3.1Å; R1669-T1729 HydrophobicContact CG-CG2 3.8Å |
| 1670 | H | 83.7 | Confident | 79.8 | Confident | 14.8 Ų | 14.8 | 61.8 Ų | 61.8 | 7% | 0.069 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -19 | 179.2 | -160.9 | 43.1 | 0 | 0 | 0 | 112.2 | W1455 W1567 S1604 Q1605 H1606 L1607 Q1666 L1667 K1672 | W1455-H1670 AromaticContact CE2-CD2 3.84Å; W1455-H1670 AromaticContact CE2-CG 3.96Å; W1455-H1670 HydrophobicContact CH2-CB 4.26Å; W1455-H1670 HydrophobicContact CZ2-CB 3.83Å; W1455-H1670 AromaticContact CZ2-CD2 3.81Å; W1455-H1670 AromaticContact CZ2-CG 3.56Å; W1455-H1670 VanDerWaalsContact CZ2-CG 3.47Å; W1455-H1670 AromaticContact CZ2-ND1 3.72Å; W1455-H1670 AromaticContact NE1-CD2 3.58Å; W1455-H1670 AromaticContact NE1-CE1 3.96Å; W1455-H1670 AromaticContact NE1-NE2 3.59Å; W1455-H1670 PolarHBondContact NE1-NE2 3.12Å; W1567-H1670 AromaticContact CZ3-CD2 3.91Å; W1567-H1670 AromaticContact CZ3-CE1 4Å; S1604-H1670 VanDerWaalsContact CB-CE1 3.48Å; S1604-H1670 WeakPolarHBondContact CB-CE1 3.31Å; S1604-H1670 VanDerWaalsContact CB-NE2 3.3Å; S1604-H1670 WeakPolarHBondContact CB-NE2 3.39Å; S1604-H1670 PolarHBondContact O-CE1 3.12Å; S1604-H1670 VanDerWaalsContact O-CE1 3.29Å; S1604-H1670 PolarHBondContact O-NE2 3.21Å; S1604-H1670 PolarHBondContact OG-CE1 3.11Å; S1604-H1670 PolarHBondContact OG-NE2 3.19Å; Q1605-H1670 PolarHBondContact O-CE1 3.32Å; Q1605-H1670 VanDerWaalsContact O-CE1 3.24Å; Q1605-H1670 PolarHBondContact O-ND1 3.38Å; Q1605-H1670 PolarHBondContact O-NE2 3.32Å; H1606-H1670 VanDerWaalsContact C-CE1 3.41Å; H1606-H1670 CarbonylContact C-O 3.56Å; H1606-H1670 VanDerWaalsContact CA-CE1 3.45Å; H1606-H1670 WeakPolarHBondContact CA-CE1 3.21Å; H1606-H1670 WeakPolarHBondContact CA-O 3.41Å; H1606-H1670 PolarHBondContact N-CE1 2.85Å; L1607-H1670 WeakPolarHBondContact CB-ND1 3.43Å; L1607-H1670 PolarHBondContact N-ND1 2.93Å; L1607-H1670 PolarHBondContact N-O 3.09Å; Q1666-H1670 PolarHBondContact O-N 3.2Å; L1667-H1670 HydrophobicContact CD1-CB 4.37Å; L1667-H1670 WeakPolarHBondContact O-CA 3.39Å; L1667-H1670 VanDerWaalsContact O-CB 3.29Å; L1667-H1670 WeakPolarHBondContact O-CB 3.43Å; L1667-H1670 PolarHBondContact O-N 2.92Å; H1670-K1672 PolarHBondContact O-N 2.92Å |
| 1671 | Y | 85 | Confident | 80.2 | Confident | 64 Ų | 64 | 55.8 Ų | 55.8 | 25% | 0.251 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 135.5 | 170.9 | -56.1 | -45.4 | 0 | 0 | 0 | 110.8 | L1607 L1609 L1667 S1668 L1712 | L1607-Y1671 HydrophobicContact CB-CD1 4.25Å; L1607-Y1671 HydrophobicContact CD2-CD1 3.8Å; L1607-Y1671 HydrophobicContact CD2-CE1 3.52Å; L1607-Y1671 VanDerWaalsContact CD2-CE1 3.49Å; L1607-Y1671 HydrophobicContact CG-CD1 4.04Å; L1607-Y1671 HydrophobicContact CG-CE1 4.23Å; L1607-Y1671 CarbonylContact O-C 3.58Å; L1607-Y1671 VanDerWaalsContact O-CA 3.29Å; L1607-Y1671 WeakPolarHBondContact O-CA 3.4Å; L1609-Y1671 HydrophobicContact CD1-CD1 3.77Å; L1609-Y1671 HydrophobicContact CD1-CD2 4.44Å; L1609-Y1671 HydrophobicContact CD1-CE1 3.46Å; L1609-Y1671 VanDerWaalsContact CD1-CE1 3.41Å; L1609-Y1671 HydrophobicContact CD1-CE2 4.32Å; L1609-Y1671 HydrophobicContact CD1-CG 4.2Å; L1609-Y1671 HydrophobicContact CD2-CE1 4.33Å; L1609-Y1671 HydrophobicContact CG-CD1 4.03Å; L1609-Y1671 HydrophobicContact CG-CE1 4.01Å; L1667-Y1671 HydrophobicContact CD1-CE1 4.18Å; L1667-Y1671 HydrophobicContact CD2-CE1 4.37Å; L1667-Y1671 WeakPolarHBondContact CD2-OH 3.39Å; L1667-Y1671 HydrophobicContact CG-CE1 4.04Å; L1667-Y1671 HydrophobicContact CG-CE2 4.28Å; L1667-Y1671 WeakPolarHBondContact CG-OH 3.38Å; L1667-Y1671 VanDerWaalsContact O-CD2 3.31Å; L1667-Y1671 WeakPolarHBondContact O-CD2 3.31Å; L1667-Y1671 WeakPolarHBondContact O-CE2 3.47Å; L1667-Y1671 PolarHBondContact O-N 3.17Å; S1668-Y1671 WeakPolarHBondContact O-CD2 3.23Å; Y1671-L1712 WeakPolarHBondContact O-CB 3.29Å; Y1671-L1712 VanDerWaalsContact O-CD2 3.26Å; Y1671-L1712 WeakPolarHBondContact O-CD2 3.35Å |
| 1672 | K | 87.3 | Confident | 80.8 | Confident | 84 Ų | 84 | 56 Ų | 56 | 37% | 0.365 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | -61.3 | 171.4 | -179.3 | 174.7 | -179.3 | 173.8 | 0 | 111 | H1606 L1607 H1670 E1711 L1712 | H1606-K1672 HydrophobicContact CB-CB 3.66Å; H1606-K1672 HydrophobicContact CB-CD 4.14Å; H1606-K1672 HydrophobicContact CB-CG 4.46Å; L1607-K1672 PolarHBondContact O-N 3.14Å; H1670-K1672 PolarHBondContact O-N 2.92Å; K1672-E1711 WeakPolarHBondContact CE-OE1 3.38Å; K1672-E1711 HydrophobicContact CG-CG 4.37Å; K1672-E1711 WeakPolarHBondContact CG-OE1 3.32Å; K1672-E1711 IonicContact NZ-OE1 3.68Å; K1672-E1711 CarbonylContact O-C 3.58Å; K1672-E1711 VanDerWaalsContact O-CA 3.3Å; K1672-E1711 WeakPolarHBondContact O-CA 3.38Å; K1672-L1712 PolarHBondContact O-N 3.09Å |
| 1673 | K | 88.9 | Confident | 81.3 | Confident | 85.4 Ų | 85.4 | 52.4 Ų | 52.4 | 37% | 0.371 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 139.2 | 176.8 | -54.9 | -165.1 | -178.3 | -133 | 0 | 111.4 | N1608 L1609 H1710 E1711 | N1608-K1673 CarbonylContact C-O 3.52Å; N1608-K1673 VanDerWaalsContact CA-O 3.29Å; N1608-K1673 WeakPolarHBondContact CA-O 3.37Å; N1608-K1673 HydrophobicContact CB-CB 4.32Å; N1608-K1673 WeakPolarHBondContact OD1-CB 3.33Å; N1608-K1673 PolarHBondContact OD1-N 2.87Å; N1608-K1673 VanDerWaalsContact OD1-N 3.14Å; L1609-K1673 PolarHBondContact N-O 3.21Å; K1673-H1710 CarbonylContact C-O 3.52Å; K1673-H1710 WeakPolarHBondContact CA-O 3.32Å; K1673-E1711 VanDerWaalsContact CE-OE1 3.31Å; K1673-E1711 WeakPolarHBondContact CE-OE1 3.4Å; K1673-E1711 WeakPolarHBondContact CE-OE2 3.38Å; K1673-E1711 HydrophobicContact CG-CG 4.23Å; K1673-E1711 IonicContact NZ-OE1 3.34Å; K1673-E1711 PolarHBondContact NZ-OE1 3.16Å; K1673-E1711 IonicContact NZ-OE2 3.42Å; K1673-E1711 PolarHBondContact NZ-OE2 3.43Å |
| 1674 | L | 88 | Confident | 82 | Confident | 47.8 Ų | 47.8 | 49.2 Ų | 49.2 | 25% | 0.25 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 108.4 | 176.3 | -178.8 | 126.7 | 0 | 0 | 0 | 108.7 | L1609 F1611 I1676 A1709 H1710 | L1609-L1674 HydrophobicContact CB-CD1 4.31Å; L1609-L1674 HydrophobicContact CD1-CD1 4.22Å; L1609-L1674 CarbonylContact O-C 3.48Å; L1609-L1674 WeakPolarHBondContact O-CA 3.4Å; F1611-L1674 HydrophobicContact CD2-CD1 4.34Å; F1611-L1674 HydrophobicContact CD2-CG 4.28Å; F1611-L1674 HydrophobicContact CE2-CD1 3.81Å; F1611-L1674 HydrophobicContact CE2-CG 4.3Å; L1674-I1676 HydrophobicContact CD2-CD1 3.69Å; L1674-I1676 HydrophobicContact CD2-CG1 3.77Å; L1674-I1676 HydrophobicContact CG-CD1 4.5Å; L1674-I1676 HydrophobicContact CG-CG1 4.31Å; L1674-A1709 CarbonylContact O-C 3.53Å; L1674-A1709 WeakPolarHBondContact O-CA 3.25Å; L1674-H1710 HydrophobicContact CB-CB 4.36Å; L1674-H1710 HydrophobicContact CD2-CB 4.35Å; L1674-H1710 PolarHBondContact N-O 2.87Å; L1674-H1710 PolarHBondContact O-N 3.02Å |
| 1675 | N | 90.8 | Very high | 82.6 | Confident | 62.2 Ų | 62.2 | 46.1 Ų | 46.1 | 33% | 0.333 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 133 | 176.5 | -63.9 | -17.2 | 0 | 0 | 0 | 109 | L1609 T1610 F1611 S1708 A1709 | L1609-N1675 PolarHBondContact O-N 3.04Å; T1610-N1675 CarbonylContact C-O 3.57Å; T1610-N1675 WeakPolarHBondContact CA-O 3.35Å; T1610-N1675 HydrophobicContact CG2-CB 4.11Å; F1611-N1675 PolarHBondContact N-O 3.29Å; N1675-S1708 CarbonylContact C-O 3.51Å; N1675-S1708 WeakPolarHBondContact CA-O 3.32Å; N1675-A1709 VanDerWaalsContact OD1-CB 3.25Å; N1675-A1709 WeakPolarHBondContact OD1-CB 3.32Å |
| 1676 | I | 88.3 | Confident | 83.1 | Confident | 44.8 Ų | 44.8 | 44.3 Ų | 44.3 | 23% | 0.23 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 129.8 | 175.9 | -56.2 | 170.2 | 0 | 0 | 0 | 107.9 | F1611 L1674 I1678 S1707 S1708 | F1611-I1676 HydrophobicContact CB-CG1 4.29Å; F1611-I1676 HydrophobicContact CB-CG2 4.43Å; F1611-I1676 HydrophobicContact CD1-CG2 4.19Å; F1611-I1676 HydrophobicContact CD2-CG1 4.42Å; F1611-I1676 CarbonylContact O-C 3.48Å; F1611-I1676 WeakPolarHBondContact O-CA 3.34Å; L1674-I1676 HydrophobicContact CD2-CD1 3.69Å; L1674-I1676 HydrophobicContact CD2-CG1 3.77Å; L1674-I1676 HydrophobicContact CG-CD1 4.5Å; L1674-I1676 HydrophobicContact CG-CG1 4.31Å; I1676-I1678 HydrophobicContact CG2-CD1 3.88Å; I1676-I1678 HydrophobicContact CG2-CG1 3.81Å; I1676-S1707 CarbonylContact O-C 3.59Å; I1676-S1707 VanDerWaalsContact O-CA 3.31Å; I1676-S1707 WeakPolarHBondContact O-CA 3.39Å; I1676-S1708 WeakPolarHBondContact CB-OG 3.37Å; I1676-S1708 PolarHBondContact N-O 3.07Å; I1676-S1708 PolarHBondContact O-N 3.15Å |
| 1677 | S | 89.1 | Confident | 83.5 | Confident | 48.2 Ų | 48.2 | 44.5 Ų | 44.5 | 34% | 0.337 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 122.7 | 170.2 | 174.4 | 0 | 0 | 0 | 0 | 108.4 | F1611 I1612 I1613 L1706 | F1611-S1677 PolarHBondContact O-N 3.25Å; F1611-S1677 PolarHBondContact O-OG 3.47Å; I1612-S1677 CarbonylContact C-O 3.55Å; I1612-S1677 VanDerWaalsContact CA-O 3.29Å; I1612-S1677 WeakPolarHBondContact CA-O 3.27Å; I1612-S1677 WeakPolarHBondContact CG1-OG 2.91Å; I1613-S1677 PolarHBondContact N-O 3.16Å; S1677-L1706 CarbonylContact C-O 3.56Å; S1677-L1706 VanDerWaalsContact CA-O 3.3Å; S1677-L1706 WeakPolarHBondContact CA-O 3.35Å |
| 1678 | I | 86.6 | Confident | 83.7 | Confident | 36.6 Ų | 36.6 | 43.2 Ų | 43.2 | 19% | 0.188 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 126.5 | 178.5 | -56 | 174.4 | 0 | 0 | 0 | 108.3 | I1613 I1676 L1680 Q1705 L1706 | I1613-I1678 HydrophobicContact CB-CB 4.47Å; I1613-I1678 HydrophobicContact CB-CG1 4.23Å; I1613-I1678 HydrophobicContact CB-CG2 4.15Å; I1613-I1678 HydrophobicContact CD1-CD1 4.34Å; I1613-I1678 HydrophobicContact CD1-CG1 4.14Å; I1613-I1678 HydrophobicContact CG1-CG1 4.26Å; I1613-I1678 HydrophobicContact CG2-CG2 4.19Å; I1613-I1678 CarbonylContact O-C 3.56Å; I1613-I1678 VanDerWaalsContact O-CA 3.31Å; I1613-I1678 WeakPolarHBondContact O-CA 3.37Å; I1676-I1678 HydrophobicContact CG2-CD1 3.88Å; I1676-I1678 HydrophobicContact CG2-CG1 3.81Å; I1678-L1680 HydrophobicContact CG2-CD1 4.25Å; I1678-L1680 HydrophobicContact CG2-CD2 4.01Å; I1678-L1680 HydrophobicContact CG2-CG 3.87Å; I1678-Q1705 CarbonylContact O-C 3.55Å; I1678-Q1705 WeakPolarHBondContact O-CA 3.46Å; I1678-L1706 HydrophobicContact CB-CB 4.18Å; I1678-L1706 HydrophobicContact CB-CD2 4.46Å; I1678-L1706 HydrophobicContact CD1-CD2 3.97Å; I1678-L1706 HydrophobicContact CG1-CD2 4.39Å; I1678-L1706 PolarHBondContact N-O 3Å; I1678-L1706 PolarHBondContact O-N 2.92Å |
| 1679 | S | 85.5 | Confident | 83.8 | Confident | 33.2 Ų | 33.2 | 42 Ų | 42 | 23% | 0.232 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 114.9 | 173.8 | 158.2 | 0 | 0 | 0 | 0 | 108.2 | I1613 D1614 V1615 L1704 | I1613-S1679 PolarHBondContact O-N 3.09Å; I1613-S1679 PolarHBondContact O-OG 3.06Å; D1614-S1679 VanDerWaalsContact CA-OG 3.31Å; D1614-S1679 WeakPolarHBondContact CA-OG 3.36Å; D1614-S1679 WeakPolarHBondContact CB-OG 3.34Å; D1614-S1679 VanDerWaalsContact OD1-CB 3.23Å; D1614-S1679 WeakPolarHBondContact OD1-CB 3.43Å; D1614-S1679 PolarHBondContact OD1-OG 3.19Å; V1615-S1679 WeakPolarHBondContact CB-O 3.21Å; V1615-S1679 PolarHBondContact N-O 3.09Å; S1679-L1704 CarbonylContact C-O 3.42Å; S1679-L1704 VanDerWaalsContact CA-O 3.3Å; S1679-L1704 WeakPolarHBondContact CA-O 3.42Å |
| 1680 | L | 81.4 | Confident | 83.5 | Confident | 20 Ų | 20 | 41.5 Ų | 41.5 | 11% | 0.105 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 140.6 | 176.5 | -54.8 | -179.5 | 0 | 0 | 0 | 109.7 | F1553 I1613 V1615 L1625 I1678 F1683 A1703 L1704 | F1553-L1680 HydrophobicContact CZ-CD1 4.4Å; I1613-L1680 HydrophobicContact CG2-CD2 4.47Å; V1615-L1680 HydrophobicContact CB-CD2 4.12Å; V1615-L1680 HydrophobicContact CG2-CD2 3.58Å; L1625-L1680 HydrophobicContact CD1-CB 4.45Å; L1625-L1680 HydrophobicContact CD1-CD1 4.21Å; L1625-L1680 HydrophobicContact CD1-CD2 4.25Å; L1625-L1680 HydrophobicContact CD2-CD1 4.34Å; I1678-L1680 HydrophobicContact CG2-CD1 4.25Å; I1678-L1680 HydrophobicContact CG2-CD2 4.01Å; I1678-L1680 HydrophobicContact CG2-CG 3.87Å; L1680-F1683 HydrophobicContact CB-CD1 4.32Å; L1680-F1683 HydrophobicContact CD1-CB 4.47Å; L1680-F1683 HydrophobicContact CD1-CD1 4.36Å; L1680-F1683 HydrophobicContact CD1-CG 4.38Å; L1680-A1703 WeakPolarHBondContact O-CA 3.35Å; L1680-L1704 HydrophobicContact CB-CB 4.33Å; L1680-L1704 HydrophobicContact CD1-CD2 4Å; L1680-L1704 HydrophobicContact CG-CD2 4.43Å; L1680-L1704 PolarHBondContact N-O 3.03Å; L1680-L1704 PolarHBondContact O-N 3.11Å |
| 1681 | P | 80.6 | Confident | 82.7 | Confident | 22.2 Ų | 22.2 | 44.4 Ų | 44.4 | 14% | 0.144 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -80.8 | -135.2 | 170 | 37.8 | -35.4 | 0 | 0 | 0 | 108.4 | V1615 E1617 L1625 F1683 S1702 A1703 | V1615-P1681 HydrophobicContact CB-CG 4.47Å; V1615-P1681 HydrophobicContact CG1-CG 4.09Å; V1615-P1681 WeakPolarHBondContact O-CD 3.41Å; E1617-P1681 HydrophobicContact CB-CB 4.13Å; E1617-P1681 HydrophobicContact CB-CG 4.24Å; E1617-P1681 HydrophobicContact CG-CB 3.99Å; E1617-P1681 HydrophobicContact CG-CG 4.16Å; E1617-P1681 WeakPolarHBondContact OE1-CB 3.48Å; L1625-P1681 HydrophobicContact CD1-CG 4.07Å; P1681-F1683 WeakPolarHBondContact O-CD1 3.31Å; P1681-F1683 PolarHBondContact O-N 3.06Å; P1681-S1702 CarbonylContact C-O 3.57Å; P1681-S1702 CarbonylContact O-C 3.48Å; P1681-A1703 VanDerWaalsContact O-CA 3.23Å; P1681-A1703 WeakPolarHBondContact O-CA 3.48Å; P1681-A1703 PolarHBondContact O-N 3.49Å |
| 1682 | K | 81.4 | Confident | 82 | Confident | 110.6 Ų | 110.6 | 44.5 Ų | 44.5 | 48% | 0.481 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -67.2 | 124.3 | 179.8 | -130.6 | 177.1 | -179.6 | 172 | 0 | 111.7 | E1617 S1624 L1625 C1701 S1702 | E1617-K1682 VanDerWaalsContact OE1-CB 3.31Å; E1617-K1682 WeakPolarHBondContact OE1-CB 3.11Å; E1617-K1682 PolarHBondContact OE1-N 3.02Å; E1617-K1682 IonicContact OE1-NZ 2.71Å; E1617-K1682 PolarHBondContact OE1-NZ 2.75Å; S1624-K1682 WeakPolarHBondContact CB-O 3.26Å; L1625-K1682 PolarHBondContact N-O 3.24Å; L1625-K1682 VanDerWaalsContact N-O 3.11Å; K1682-C1701 CarbonylContact C-O 3.54Å; K1682-C1701 VanDerWaalsContact CA-O 3.29Å; K1682-C1701 WeakPolarHBondContact CA-O 3.34Å; K1682-S1702 WeakPolarHBondContact CA-O 3.35Å; K1682-S1702 PolarHBondContact N-O 3.24Å; K1682-S1702 VanDerWaalsContact N-O 3.11Å |
| 1683 | F | 78.2 | Confident | 81.4 | Confident | 18.4 Ų | 18.4 | 41.3 Ų | 41.3 | 8% | 0.081 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 160 | 173.8 | 77.2 | -81.4 | 0 | 0 | 0 | 112.8 | L1625 L1680 P1681 V1685 F1699 C1701 L1704 M1740 | L1625-F1683 HydrophobicContact CB-CB 3.76Å; L1625-F1683 VanDerWaalsContact CB-CB 3.47Å; L1625-F1683 HydrophobicContact CD1-CB 4.14Å; L1625-F1683 HydrophobicContact CD2-CB 3.65Å; L1625-F1683 HydrophobicContact CD2-CG 4.43Å; L1625-F1683 HydrophobicContact CG-CB 4.33Å; L1625-F1683 CarbonylContact O-C 3.55Å; L1625-F1683 VanDerWaalsContact O-CA 3.28Å; L1625-F1683 WeakPolarHBondContact O-CA 3.32Å; L1625-F1683 WeakPolarHBondContact O-CB 3.44Å; L1680-F1683 HydrophobicContact CB-CD1 4.32Å; L1680-F1683 HydrophobicContact CD1-CB 4.47Å; L1680-F1683 HydrophobicContact CD1-CD1 4.36Å; L1680-F1683 HydrophobicContact CD1-CG 4.38Å; P1681-F1683 WeakPolarHBondContact O-CD1 3.31Å; P1681-F1683 PolarHBondContact O-N 3.06Å; F1683-V1685 HydrophobicContact CD2-CG2 3.74Å; F1683-V1685 HydrophobicContact CE2-CG2 3.63Å; F1683-F1699 HydrophobicContact CE2-CD1 4.34Å; F1683-F1699 AromaticContact CE2-CE1 3.78Å; F1683-F1699 HydrophobicContact CE2-CE1 4.06Å; F1683-F1699 HydrophobicContact CZ-CD1 4.39Å; F1683-F1699 AromaticContact CZ-CE1 3.67Å; F1683-F1699 HydrophobicContact CZ-CE1 3.95Å; F1683-C1701 HydrophobicContact CD1-CB 3.89Å; F1683-C1701 HydrophobicContact CE1-CB 3.37Å; F1683-C1701 VanDerWaalsContact CE1-CB 3.47Å; F1683-C1701 VanDerWaalsContact CE1-SG 3.6Å; F1683-C1701 WeakPolarHBondContact CE1-SG 3.47Å; F1683-C1701 HydrophobicContact CE2-CB 4.35Å; F1683-C1701 HydrophobicContact CZ-CB 3.69Å; F1683-C1701 PolarHBondContact N-O 3.06Å; F1683-C1701 PolarHBondContact O-N 3.12Å; F1683-L1704 HydrophobicContact CD1-CB 4.32Å; F1683-L1704 HydrophobicContact CE1-CB 3.54Å; F1683-L1704 HydrophobicContact CE1-CD2 4.15Å; F1683-L1704 HydrophobicContact CE1-CG 4.41Å; F1683-L1704 HydrophobicContact CZ-CB 4.22Å; F1683-L1704 HydrophobicContact CZ-CD2 4.12Å; F1683-M1740 HydrophobicContact CE1-CE 4.05Å; F1683-M1740 HydrophobicContact CZ-CE 3.75Å; F1683-M1740 VanDerWaalsContact CZ-CE 3.49Å |
| 1684 | L | 81.6 | Confident | 80.7 | Confident | 24.4 Ų | 24.4 | 40.2 Ų | 40.2 | 13% | 0.128 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 128.1 | -171.5 | -126.9 | 85.9 | 0 | 0 | 0 | 109.2 | S1624 L1625 R1626 V1627 H1698 F1699 T1700 | S1624-L1684 WeakPolarHBondContact OG-CD1 3.47Å; S1624-L1684 WeakPolarHBondContact OG-CG 3.39Å; L1625-L1684 WeakPolarHBondContact O-CB 3.4Å; L1625-L1684 PolarHBondContact O-N 3.12Å; R1626-L1684 CarbonylContact C-O 3.55Å; R1626-L1684 WeakPolarHBondContact CA-O 3.3Å; R1626-L1684 HydrophobicContact CG-CB 4.43Å; R1626-L1684 HydrophobicContact CG-CD1 4.1Å; R1626-L1684 HydrophobicContact CG-CD2 4.22Å; V1627-L1684 PolarHBondContact N-O 3.05Å; L1684-H1698 WeakPolarHBondContact CD1-CE1 3.34Å; L1684-H1698 WeakPolarHBondContact CD1-NE2 3.24Å; L1684-H1698 WeakPolarHBondContact CD2-CE1 3.43Å; L1684-H1698 VanDerWaalsContact CD2-NE2 3.28Å; L1684-H1698 WeakPolarHBondContact CD2-NE2 3.33Å; L1684-H1698 WeakPolarHBondContact CG-CE1 3.36Å; L1684-F1699 CarbonylContact C-O 3.57Å; L1684-F1699 VanDerWaalsContact CA-O 3.28Å; L1684-F1699 WeakPolarHBondContact CA-O 3.46Å; L1684-F1699 VanDerWaalsContact CD1-O 3.3Å; L1684-F1699 WeakPolarHBondContact CD1-O 3.39Å; L1684-T1700 HydrophobicContact CD1-CG2 3.47Å; L1684-T1700 HydrophobicContact CD2-CG2 3.51Å; L1684-T1700 HydrophobicContact CG-CG2 3.99Å |
| 1685 | V | 82.3 | Confident | 80.4 | Confident | 27.2 Ų | 27.2 | 41.4 Ų | 41.4 | 17% | 0.165 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 120.8 | 176.7 | -172.5 | 0 | 0 | 0 | 0 | 109.1 | V1627 L1629 F1683 H1698 F1699 | V1627-V1685 HydrophobicContact CB-CB 4.41Å; V1627-V1685 HydrophobicContact CB-CG1 4.29Å; V1627-V1685 HydrophobicContact CB-CG2 4.13Å; V1627-V1685 HydrophobicContact CG1-CG1 4.41Å; V1627-V1685 HydrophobicContact CG2-CG2 4.27Å; V1627-V1685 CarbonylContact O-C 3.53Å; V1627-V1685 VanDerWaalsContact O-CA 3.3Å; V1627-V1685 WeakPolarHBondContact O-CA 3.45Å; L1629-V1685 HydrophobicContact CD1-CG1 3.65Å; L1629-V1685 HydrophobicContact CG-CG1 4.15Å; F1683-V1685 HydrophobicContact CD2-CG2 3.74Å; F1683-V1685 HydrophobicContact CE2-CG2 3.63Å; V1685-H1698 CarbonylContact O-C 3.54Å; V1685-H1698 WeakPolarHBondContact O-CA 3.38Å; V1685-F1699 HydrophobicContact CB-CB 4.22Å; V1685-F1699 HydrophobicContact CB-CD1 4.38Å; V1685-F1699 HydrophobicContact CB-CD2 4.47Å; V1685-F1699 HydrophobicContact CG2-CD1 4.24Å; V1685-F1699 PolarHBondContact N-O 3.15Å; V1685-F1699 WeakPolarHBondContact O-CB 3.3Å; V1685-F1699 PolarHBondContact O-N 3.19Å |
| 1686 | T | 81.7 | Confident | 80.1 | Confident | 22.6 Ų | 22.6 | 38.5 Ų | 38.5 | 14% | 0.139 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 124.7 | 172.5 | -48.1 | 0 | 0 | 0 | 0 | 109 | V1627 L1628 L1629 W1688 V1697 H1698 L1748 | V1627-T1686 PolarHBondContact O-N 2.94Å; L1628-T1686 CarbonylContact C-O 3.56Å; L1628-T1686 WeakPolarHBondContact CA-O 3.29Å; L1628-T1686 HydrophobicContact CD1-CG2 4.27Å; L1629-T1686 PolarHBondContact N-O 3.15Å; T1686-W1688 HydrophobicContact CG2-CZ2 4.18Å; T1686-W1688 VanDerWaalsContact CG2-NE1 3.32Å; T1686-V1697 CarbonylContact C-O 3.54Å; T1686-V1697 WeakPolarHBondContact CA-O 3.27Å; T1686-H1698 PolarHBondContact OG1-CE1 3.33Å; T1686-H1698 VanDerWaalsContact OG1-CE1 3.3Å; T1686-H1698 PolarHBondContact OG1-ND1 3.09Å; T1686-L1748 HydrophobicContact CG2-CD1 4.15Å |
| 1687 | Y | 84.2 | Confident | 80 | Confident | 36.8 Ų | 36.8 | 37.5 Ų | 37.5 | 14% | 0.144 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 128.6 | 177.2 | 169.3 | -104.4 | 0 | 0 | 0 | 111.1 | L1629 S1631 F1634 P1689 G1696 V1697 I1819 | L1629-Y1687 HydrophobicContact CB-CD2 4.26Å; L1629-Y1687 WeakPolarHBondContact O-CA 3.27Å; S1631-Y1687 PolarHBondContact OG-OH 3.12Å; S1631-Y1687 VanDerWaalsContact OG-OH 3.14Å; F1634-Y1687 HydrophobicContact CD2-CE2 4.5Å; F1634-Y1687 AromaticContact CE2-CD2 3.98Å; F1634-Y1687 HydrophobicContact CE2-CD2 4.08Å; F1634-Y1687 AromaticContact CE2-CE2 3.84Å; F1634-Y1687 HydrophobicContact CE2-CE2 3.84Å; Y1687-P1689 HydrophobicContact CE1-CG 4.37Å; Y1687-G1696 CarbonylContact O-C 3.49Å; Y1687-G1696 VanDerWaalsContact O-CA 3.3Å; Y1687-G1696 WeakPolarHBondContact O-CA 3.39Å; Y1687-V1697 HydrophobicContact CD1-CB 4.44Å; Y1687-V1697 HydrophobicContact CD1-CG2 4.31Å; Y1687-V1697 PolarHBondContact N-O 2.95Å; Y1687-V1697 PolarHBondContact O-N 3.19Å; Y1687-I1819 HydrophobicContact CE1-CG2 4.34Å |
| 1688 | W | 79.1 | Confident | 79.9 | Confident | 17.8 Ų | 17.8 | 36.2 Ų | 36.2 | 7% | 0.067 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 135.2 | 172.8 | -61.4 | 101.9 | 0 | 0 | 0 | 110.9 | L1628 L1629 Y1630 S1631 T1686 S1690 S1693 R1695 G1696 L1748 C1751 H1754 | L1628-W1688 VanDerWaalsContact CD1-CD1 3.41Å; L1629-W1688 PolarHBondContact O-N 2.93Å; Y1630-W1688 VanDerWaalsContact CA-O 3.25Å; Y1630-W1688 WeakPolarHBondContact CA-O 3.33Å; Y1630-W1688 HydrophobicContact CD1-CB 3.75Å; Y1630-W1688 WeakPolarHBondContact CD1-O 3.48Å; Y1630-W1688 HydrophobicContact CE1-CB 3.73Å; Y1630-W1688 HydrophobicContact CE1-CG 4.25Å; S1631-W1688 PolarHBondContact N-O 3.09Å; T1686-W1688 HydrophobicContact CG2-CZ2 4.18Å; T1686-W1688 VanDerWaalsContact CG2-NE1 3.32Å; W1688-S1690 VanDerWaalsContact C-N 3.3Å; W1688-S1690 VanDerWaalsContact CB-O 3.31Å; W1688-S1690 WeakPolarHBondContact CB-O 3.31Å; W1688-S1690 PolarHBondContact O-N 3.1Å; W1688-S1693 VanDerWaalsContact CE3-O 3.3Å; W1688-S1693 WeakPolarHBondContact CZ3-O 3.43Å; W1688-R1695 VanDerWaalsContact CE3-C 3.49Å; W1688-R1695 VanDerWaalsContact CZ3-C 3.46Å; W1688-G1696 VanDerWaalsContact CZ3-N 3.33Å; W1688-L1748 HydrophobicContact CH2-CB 3.78Å; W1688-L1748 HydrophobicContact CH2-CD1 3.55Å; W1688-L1748 VanDerWaalsContact CH2-CD1 3.48Å; W1688-L1748 HydrophobicContact CH2-CG 4.32Å; W1688-L1748 HydrophobicContact CZ2-CB 4.42Å; W1688-L1748 HydrophobicContact CZ2-CD1 3.49Å; W1688-L1748 VanDerWaalsContact CZ2-CD1 3.45Å; W1688-L1748 HydrophobicContact CZ3-CB 4.23Å; W1688-L1748 HydrophobicContact CZ3-CD1 4.42Å; W1688-C1751 HydrophobicContact CH2-CB 4.23Å; W1688-H1754 AromaticContact CD2-ND1 3.88Å; W1688-H1754 AromaticContact CE2-ND1 3.48Å; W1688-H1754 AromaticContact CH2-ND1 3.58Å; W1688-H1754 HydrophobicContact CZ2-CB 4.24Å; W1688-H1754 AromaticContact CZ2-CE1 3.92Å; W1688-H1754 AromaticContact CZ2-CG 3.97Å; W1688-H1754 AromaticContact CZ2-ND1 3.5Å; W1688-H1754 WeakPolarHBondContact CZ2-ND1 3.38Å; W1688-H1754 AromaticContact NE1-ND1 3.74Å; W1688-H1754 PolarHBondContact NE1-ND1 2.94Å |
| 1689 | P | 77.2 | Confident | 79.9 | Confident | 19.6 Ų | 19.6 | 37.5 Ų | 37.5 | 13% | 0.127 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -56.2 | -42.8 | 174.7 | -27.5 | 35.8 | 0 | 0 | 0 | 113.2 | S1631 Y1687 S1693 R1695 I1819 | S1631-P1689 VanDerWaalsContact CB-O 3.26Å; S1631-P1689 WeakPolarHBondContact CB-O 3.37Å; S1631-P1689 VanDerWaalsContact OG-CA 3.28Å; S1631-P1689 WeakPolarHBondContact OG-CA 3.29Å; S1631-P1689 PolarHBondContact OG-O 3.06Å; Y1687-P1689 HydrophobicContact CE1-CG 4.37Å; P1689-S1693 WeakPolarHBondContact CD-OG 3.42Å; P1689-R1695 WeakPolarHBondContact CD-O 3.35Å; P1689-I1819 HydrophobicContact CG-CG1 4.46Å |
| 1690 | S | 72.4 | Confident | 79.9 | Confident | 30.2 Ų | 30.2 | 37.1 Ų | 37.1 | 21% | 0.211 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -143.5 | 171.6 | 174.7 | 68.3 | 0 | 0 | 0 | 0 | 110.8 | Y1630 W1688 T1692 S1693 E2289 | Y1630-S1690 WeakPolarHBondContact CD1-O 3.2Å; Y1630-S1690 WeakPolarHBondContact CE1-O 3.38Å; W1688-S1690 VanDerWaalsContact C-N 3.3Å; W1688-S1690 VanDerWaalsContact CB-O 3.31Å; W1688-S1690 WeakPolarHBondContact CB-O 3.31Å; W1688-S1690 PolarHBondContact O-N 3.1Å; S1690-T1692 VanDerWaalsContact C-N 3.25Å; S1690-T1692 PolarHBondContact O-N 3.03Å; S1690-T1692 PolarHBondContact OG-N 2.8Å; S1690-T1692 PolarHBondContact OG-OG1 2.75Å; S1690-T1692 VanDerWaalsContact OG-OG1 3.12Å; S1690-S1693 PolarHBondContact N-OG 3.05Å; S1690-S1693 WeakPolarHBondContact O-CB 3.26Å; S1690-S1693 PolarHBondContact O-N 3.14Å; S1690-S1693 PolarHBondContact O-OG 2.95Å; S1690-S1693 VanDerWaalsContact OG-CB 3.26Å; S1690-S1693 WeakPolarHBondContact OG-CB 3.4Å; S1690-S1693 PolarHBondContact OG-N 3.08Å; S1690-S1693 VanDerWaalsContact OG-N 3.12Å; S1690-S1693 PolarHBondContact OG-OG 3.31Å; S1690-E2289 WeakPolarHBondContact CB-OE1 3.35Å; S1690-E2289 PolarHBondContact OG-OE1 3.15Å |
| 1691 | F | 67.9 | Low | 80.2 | Confident | 75.6 Ų | 75.6 | 36.3 Ų | 36.3 | 33% | 0.332 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -33 | 174.2 | 177 | -102.4 | 0 | 0 | 0 | 112.4 | F1548 Y1630 S1693 H1754 Y2293 H2296 | F1548-F1691 HydrophobicContact CD1-CB 4.19Å; F1548-F1691 HydrophobicContact CE1-CB 3.74Å; F1548-F1691 HydrophobicContact CZ-CB 4.48Å; Y1630-F1691 HydrophobicContact CE1-CB 4.44Å; Y1630-F1691 HydrophobicContact CE1-CD2 4.41Å; F1691-S1693 VanDerWaalsContact C-N 3.33Å; F1691-S1693 PolarHBondContact O-N 3.07Å; F1691-H1754 AromaticContact CD2-NE2 3.86Å; F1691-H1754 AromaticContact CE2-NE2 3.77Å; F1691-H1754 PolarHBondContact O-CE1 3.47Å; F1691-H1754 PolarHBondContact O-NE2 3.48Å; F1691-Y2293 HydrophobicContact CD1-CD2 4.14Å; F1691-Y2293 AromaticContact CD2-CD2 3.89Å; F1691-Y2293 HydrophobicContact CD2-CD2 3.89Å; F1691-Y2293 HydrophobicContact CD2-CE2 4.34Å; F1691-Y2293 HydrophobicContact CE1-CD2 4.09Å; F1691-Y2293 AromaticContact CE2-CD2 3.83Å; F1691-Y2293 HydrophobicContact CE2-CD2 3.83Å; F1691-Y2293 HydrophobicContact CE2-CE2 4.17Å; F1691-Y2293 AromaticContact CG-CD2 3.98Å; F1691-Y2293 HydrophobicContact CG-CD2 4.04Å; F1691-Y2293 AromaticContact CZ-CD2 3.85Å; F1691-Y2293 HydrophobicContact CZ-CD2 3.93Å; F1691-H2296 HydrophobicContact CE1-CB 4.07Å; F1691-H2296 AromaticContact CE1-CD2 3.96Å; F1691-H2296 HydrophobicContact CZ-CB 3.64Å; F1691-H2296 AromaticContact CZ-CD2 3.42Å; F1691-H2296 VanDerWaalsContact CZ-CD2 3.42Å; F1691-H2296 WeakPolarHBondContact CZ-CD2 3.43Å; F1691-H2296 AromaticContact CZ-CG 3.56Å; F1691-H2296 VanDerWaalsContact CZ-CG 3.47Å; F1691-H2296 AromaticContact CZ-ND1 3.94Å |
| 1692 | T | 70.1 | Confident | 80.5 | Confident | 66.2 Ų | 66.2 | 37.2 Ų | 37.2 | 41% | 0.406 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 6.7 | -177.5 | 64.6 | 0 | 0 | 0 | 0 | 113.3 | S1690 E2289 M2292 L2316 K2320 | S1690-T1692 VanDerWaalsContact C-N 3.25Å; S1690-T1692 PolarHBondContact O-N 3.03Å; S1690-T1692 PolarHBondContact OG-N 2.8Å; S1690-T1692 PolarHBondContact OG-OG1 2.75Å; S1690-T1692 VanDerWaalsContact OG-OG1 3.12Å; T1692-E2289 HydrophobicContact CG2-CG 4.13Å; T1692-E2289 PolarHBondContact OG1-OE1 3.37Å; T1692-M2292 HydrophobicContact CG2-CB 4.38Å; T1692-M2292 HydrophobicContact CG2-CE 3.92Å; T1692-M2292 HydrophobicContact CG2-SD 3.8Å; T1692-L2316 HydrophobicContact CG2-CD2 3.71Å; T1692-L2316 WeakPolarHBondContact OG1-CD2 3.42Å; T1692-K2320 PolarHBondContact OG1-NZ 3.19Å |
| 1693 | S | 73.4 | Confident | 80.8 | Confident | 18.2 Ų | 18.2 | 33.6 Ų | 33.6 | 13% | 0.127 | 18% | 0.182 | C | C | . | . | trans | -84.6 | 128.3 | -178.1 | 95.9 | 0 | 0 | 0 | 0 | 110.5 | W1688 P1689 S1690 F1691 R1695 | W1688-S1693 VanDerWaalsContact CE3-O 3.3Å; W1688-S1693 WeakPolarHBondContact CZ3-O 3.43Å; P1689-S1693 WeakPolarHBondContact CD-OG 3.42Å; S1690-S1693 PolarHBondContact N-OG 3.05Å; S1690-S1693 WeakPolarHBondContact O-CB 3.26Å; S1690-S1693 PolarHBondContact O-N 3.14Å; S1690-S1693 PolarHBondContact O-OG 2.95Å; S1690-S1693 VanDerWaalsContact OG-CB 3.26Å; S1690-S1693 WeakPolarHBondContact OG-CB 3.4Å; S1690-S1693 PolarHBondContact OG-N 3.08Å; S1690-S1693 VanDerWaalsContact OG-N 3.12Å; S1690-S1693 PolarHBondContact OG-OG 3.31Å; F1691-S1693 VanDerWaalsContact C-N 3.33Å; F1691-S1693 PolarHBondContact O-N 3.07Å; S1693-R1695 VanDerWaalsContact C-N 3.33Å; S1693-R1695 PolarHBondContact O-N 2.97Å; S1693-R1695 PolarHBondContact OG-N 2.88Å; S1693-R1695 PolarHBondContact OG-O 3.15Å | ||
| 1694 | D | 74.9 | Confident | 81.3 | Confident | 62.2 Ų | 62.2 | 33.9 Ų | 33.9 | 33% | 0.333 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -75.9 | -11.5 | 173 | 63.8 | -24.3 | 0 | 0 | 0 | 113.8 | G1749 N1750 C1751 | D1694-G1749 VanDerWaalsContact O-CA 3.32Å; D1694-G1749 WeakPolarHBondContact O-CA 3.47Å; D1694-N1750 PolarHBondContact O-N 3.07Å; D1694-N1750 VanDerWaalsContact O-N 3.1Å; D1694-N1750 PolarHBondContact OD2-OD1 3.04Å; D1694-C1751 PolarHBondContact O-N 3.02Å |
| 1695 | R | 81.9 | Confident | 81.8 | Confident | 72.8 Ų | 72.8 | 38.2 Ų | 38.2 | 28% | 0.275 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 132.7 | -174.9 | -70 | 165.4 | -152.8 | 157.3 | -3.1 | 112 | W1688 P1689 S1693 L1748 N1750 I1815 H1818 | W1688-R1695 VanDerWaalsContact CE3-C 3.49Å; W1688-R1695 VanDerWaalsContact CZ3-C 3.46Å; P1689-R1695 WeakPolarHBondContact CD-O 3.35Å; S1693-R1695 VanDerWaalsContact C-N 3.33Å; S1693-R1695 PolarHBondContact O-N 2.97Å; S1693-R1695 PolarHBondContact OG-N 2.88Å; S1693-R1695 PolarHBondContact OG-O 3.15Å; R1695-L1748 CarbonylContact C-O 3.51Å; R1695-L1748 VanDerWaalsContact CA-O 3.25Å; R1695-L1748 WeakPolarHBondContact CA-O 3.41Å; R1695-N1750 PolarHBondContact NH2-OD1 3.01Å; R1695-I1815 HydrophobicContact CB-CG2 4.39Å; R1695-I1815 HydrophobicContact CG-CG1 4.27Å; R1695-I1815 HydrophobicContact CG-CG2 4.22Å; R1695-H1818 VanDerWaalsContact CD-CD2 3.48Å; R1695-H1818 WeakPolarHBondContact CD-CD2 3.45Å; R1695-H1818 WeakPolarHBondContact CD-ND1 3.36Å |
| 1696 | G | 83.9 | Confident | 82.2 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | -176.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y1687 W1688 L1748 | Y1687-G1696 CarbonylContact O-C 3.49Å; Y1687-G1696 VanDerWaalsContact O-CA 3.3Å; Y1687-G1696 WeakPolarHBondContact O-CA 3.39Å; W1688-G1696 VanDerWaalsContact CZ3-N 3.33Å; G1696-L1748 PolarHBondContact N-O 3.14Å; G1696-L1748 PolarHBondContact O-N 2.92Å |
| 1697 | V | 86.6 | Confident | 82.6 | Confident | 24.4 Ų | 24.4 | 39.9 Ų | 39.9 | 15% | 0.148 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 136.5 | 179.4 | -170 | 0 | 0 | 0 | 0 | 109.6 | T1686 Y1687 F1699 C1745 Y1746 L1747 I1819 | T1686-V1697 CarbonylContact C-O 3.54Å; T1686-V1697 WeakPolarHBondContact CA-O 3.27Å; Y1687-V1697 HydrophobicContact CD1-CB 4.44Å; Y1687-V1697 HydrophobicContact CD1-CG2 4.31Å; Y1687-V1697 PolarHBondContact N-O 2.95Å; Y1687-V1697 PolarHBondContact O-N 3.19Å; V1697-F1699 HydrophobicContact CB-CE2 3.98Å; V1697-F1699 HydrophobicContact CB-CZ 4.36Å; V1697-F1699 HydrophobicContact CG1-CD2 4.03Å; V1697-F1699 HydrophobicContact CG1-CE1 4.06Å; V1697-F1699 HydrophobicContact CG1-CE2 3.38Å; V1697-F1699 HydrophobicContact CG1-CZ 3.4Å; V1697-F1699 VanDerWaalsContact CG1-CZ 3.45Å; V1697-C1745 VanDerWaalsContact CG1-SG 3.54Å; V1697-C1745 WeakPolarHBondContact CG1-SG 3.37Å; V1697-Y1746 WeakPolarHBondContact CA-O 3.36Å; V1697-L1747 HydrophobicContact CG1-CD2 4.42Å; V1697-L1747 HydrophobicContact CG2-CD2 4.04Å; V1697-I1819 HydrophobicContact CG2-CD1 3.69Å |
| 1698 | H | 87 | Confident | 83 | Confident | 21.2 Ų | 21.2 | 38.4 Ų | 38.4 | 10% | 0.098 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 127.7 | 175.5 | -167.4 | 68.4 | 0 | 0 | 0 | 109.7 | L1684 V1685 T1686 C1745 Y1746 L1748 V1756 | L1684-H1698 WeakPolarHBondContact CD1-CE1 3.34Å; L1684-H1698 WeakPolarHBondContact CD1-NE2 3.24Å; L1684-H1698 WeakPolarHBondContact CD2-CE1 3.43Å; L1684-H1698 VanDerWaalsContact CD2-NE2 3.28Å; L1684-H1698 WeakPolarHBondContact CD2-NE2 3.33Å; L1684-H1698 WeakPolarHBondContact CG-CE1 3.36Å; V1685-H1698 CarbonylContact O-C 3.54Å; V1685-H1698 WeakPolarHBondContact O-CA 3.38Å; T1686-H1698 PolarHBondContact OG1-CE1 3.33Å; T1686-H1698 VanDerWaalsContact OG1-CE1 3.3Å; T1686-H1698 PolarHBondContact OG1-ND1 3.09Å; H1698-C1745 CarbonylContact O-C 3.44Å; H1698-C1745 WeakPolarHBondContact O-CA 3.33Å; H1698-Y1746 PolarHBondContact N-O 3.03Å; H1698-Y1746 PolarHBondContact O-N 2.98Å; H1698-L1748 HydrophobicContact CB-CD1 4.08Å; H1698-L1748 HydrophobicContact CB-CD2 4.32Å; H1698-L1748 HydrophobicContact CB-CG 4.18Å; H1698-V1756 HydrophobicContact CB-CG1 4.47Å |
| 1699 | F | 86.2 | Confident | 83.5 | Confident | 64.6 Ų | 64.6 | 37.7 Ų | 37.7 | 28% | 0.283 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 123.6 | -175.8 | -140.7 | -85.1 | 0 | 0 | 0 | 109.2 | F1683 L1684 V1685 V1697 C1701 M1740 V1743 D1744 C1745 | F1683-F1699 HydrophobicContact CE2-CD1 4.34Å; F1683-F1699 AromaticContact CE2-CE1 3.78Å; F1683-F1699 HydrophobicContact CE2-CE1 4.06Å; F1683-F1699 HydrophobicContact CZ-CD1 4.39Å; F1683-F1699 AromaticContact CZ-CE1 3.67Å; F1683-F1699 HydrophobicContact CZ-CE1 3.95Å; L1684-F1699 CarbonylContact C-O 3.57Å; L1684-F1699 VanDerWaalsContact CA-O 3.28Å; L1684-F1699 WeakPolarHBondContact CA-O 3.46Å; L1684-F1699 VanDerWaalsContact CD1-O 3.3Å; L1684-F1699 WeakPolarHBondContact CD1-O 3.39Å; V1685-F1699 HydrophobicContact CB-CB 4.22Å; V1685-F1699 HydrophobicContact CB-CD1 4.38Å; V1685-F1699 HydrophobicContact CB-CD2 4.47Å; V1685-F1699 HydrophobicContact CG2-CD1 4.24Å; V1685-F1699 PolarHBondContact N-O 3.15Å; V1685-F1699 WeakPolarHBondContact O-CB 3.3Å; V1685-F1699 PolarHBondContact O-N 3.19Å; V1697-F1699 HydrophobicContact CB-CE2 3.98Å; V1697-F1699 HydrophobicContact CB-CZ 4.36Å; V1697-F1699 HydrophobicContact CG1-CD2 4.03Å; V1697-F1699 HydrophobicContact CG1-CE1 4.06Å; V1697-F1699 HydrophobicContact CG1-CE2 3.38Å; V1697-F1699 HydrophobicContact CG1-CZ 3.4Å; V1697-F1699 VanDerWaalsContact CG1-CZ 3.45Å; F1699-C1701 HydrophobicContact CD1-CB 4.37Å; F1699-C1701 HydrophobicContact CE1-CB 3.85Å; F1699-C1701 HydrophobicContact CZ-CB 4.14Å; F1699-M1740 HydrophobicContact CE1-CE 3.65Å; F1699-M1740 HydrophobicContact CZ-CE 3.49Å; F1699-M1740 HydrophobicContact CZ-SD 4.49Å; F1699-V1743 HydrophobicContact CD2-CG1 4.08Å; F1699-V1743 HydrophobicContact CE1-CG1 4.26Å; F1699-V1743 HydrophobicContact CE2-CB 4.41Å; F1699-V1743 HydrophobicContact CE2-CG1 3.22Å; F1699-V1743 HydrophobicContact CZ-CB 4.33Å; F1699-V1743 HydrophobicContact CZ-CG1 3.33Å; F1699-V1743 HydrophobicContact CZ-CG2 4.21Å; F1699-D1744 CarbonylContact C-O 3.54Å; F1699-D1744 WeakPolarHBondContact CA-O 3.44Å; F1699-C1745 HydrophobicContact CD1-CB 3.93Å; F1699-C1745 HydrophobicContact CE1-CB 3.95Å; F1699-C1745 WeakPolarHBondContact CE1-SG 3.3Å |
| 1700 | T | 86.9 | Confident | 83.9 | Confident | 24.8 Ų | 24.8 | 38.4 Ų | 38.4 | 15% | 0.152 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 146.3 | 169.5 | 68.1 | 0 | 0 | 0 | 0 | 108.7 | L1684 V1743 D1744 Y1746 | L1684-T1700 HydrophobicContact CD1-CG2 3.47Å; L1684-T1700 HydrophobicContact CD2-CG2 3.51Å; L1684-T1700 HydrophobicContact CG-CG2 3.99Å; T1700-V1743 CarbonylContact O-C 3.46Å; T1700-V1743 VanDerWaalsContact O-CA 3.26Å; T1700-V1743 WeakPolarHBondContact O-CA 3.37Å; T1700-D1744 PolarHBondContact N-O 2.99Å; T1700-D1744 PolarHBondContact O-N 3.07Å; T1700-D1744 WeakPolarHBondContact OG1-CA 3.21Å; T1700-D1744 VanDerWaalsContact OG1-CB 3.28Å; T1700-D1744 WeakPolarHBondContact OG1-CB 3.37Å; T1700-D1744 PolarHBondContact OG1-N 3.28Å; T1700-D1744 VanDerWaalsContact OG1-N 3.12Å; T1700-D1744 PolarHBondContact OG1-O 3.2Å; T1700-D1744 PolarHBondContact OG1-OD2 3.02Å; T1700-Y1746 HydrophobicContact CG2-CD2 4.33Å; T1700-Y1746 HydrophobicContact CG2-CE2 4.01Å |
| 1701 | C | 87.6 | Confident | 84.6 | Confident | 3.2 Ų | 3.2 | 38.7 Ų | 38.7 | 2% | 0.022 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 134.2 | 170.4 | 177.3 | 0 | 0 | 0 | 0 | 109.5 | K1682 F1683 F1699 A1703 M1740 S1741 H1742 V1743 | K1682-C1701 CarbonylContact C-O 3.54Å; K1682-C1701 VanDerWaalsContact CA-O 3.29Å; K1682-C1701 WeakPolarHBondContact CA-O 3.34Å; F1683-C1701 HydrophobicContact CD1-CB 3.89Å; F1683-C1701 HydrophobicContact CE1-CB 3.37Å; F1683-C1701 VanDerWaalsContact CE1-CB 3.47Å; F1683-C1701 VanDerWaalsContact CE1-SG 3.6Å; F1683-C1701 WeakPolarHBondContact CE1-SG 3.47Å; F1683-C1701 HydrophobicContact CE2-CB 4.35Å; F1683-C1701 HydrophobicContact CZ-CB 3.69Å; F1683-C1701 PolarHBondContact N-O 3.06Å; F1683-C1701 PolarHBondContact O-N 3.12Å; F1699-C1701 HydrophobicContact CD1-CB 4.37Å; F1699-C1701 HydrophobicContact CE1-CB 3.85Å; F1699-C1701 HydrophobicContact CZ-CB 4.14Å; C1701-A1703 PolarHBondContact SG-O 2.94Å; C1701-M1740 HydrophobicContact CB-CE 4.03Å; C1701-M1740 VanDerWaalsContact SG-CE 3.6Å; C1701-S1741 PolarHBondContact SG-O 2.82Å; C1701-H1742 WeakPolarHBondContact CA-O 3.43Å; C1701-V1743 HydrophobicContact CB-CG2 4.09Å; C1701-V1743 VanDerWaalsContact SG-CG2 3.57Å |
| 1702 | S | 86.2 | Confident | 85.3 | Confident | 39.8 Ų | 39.8 | 36.6 Ų | 36.6 | 28% | 0.278 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | -29.8 | -177 | 69.6 | 0 | 0 | 0 | 0 | 114.5 | P1681 K1682 S1741 H1742 | P1681-S1702 CarbonylContact C-O 3.57Å; P1681-S1702 CarbonylContact O-C 3.48Å; K1682-S1702 WeakPolarHBondContact CA-O 3.35Å; K1682-S1702 PolarHBondContact N-O 3.24Å; K1682-S1702 VanDerWaalsContact N-O 3.11Å; S1702-S1741 PolarHBondContact N-O 3.07Å; S1702-S1741 VanDerWaalsContact N-O 3.14Å; S1702-S1741 VanDerWaalsContact OG-C 3.26Å; S1702-S1741 PolarHBondContact OG-O 3.26Å; S1702-H1742 PolarHBondContact N-O 3.16Å; S1702-H1742 VanDerWaalsContact N-O 3.14Å; S1702-H1742 WeakPolarHBondContact OG-CB 3.34Å; S1702-H1742 PolarHBondContact OG-CD2 3.07Å |
| 1703 | A | 87.7 | Confident | 85.7 | Confident | 36.2 Ų | 36.2 | 36.3 Ų | 36.3 | 30% | 0.299 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 136.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | L1680 P1681 C1701 M1740 S1741 | L1680-A1703 WeakPolarHBondContact O-CA 3.35Å; P1681-A1703 VanDerWaalsContact O-CA 3.23Å; P1681-A1703 WeakPolarHBondContact O-CA 3.48Å; P1681-A1703 PolarHBondContact O-N 3.49Å; C1701-A1703 PolarHBondContact SG-O 2.94Å; A1703-M1740 VanDerWaalsContact O-CA 3.28Å; A1703-M1740 WeakPolarHBondContact O-CA 3.28Å; A1703-S1741 PolarHBondContact O-N 3.07Å; A1703-S1741 VanDerWaalsContact O-N 3.09Å |
| 1704 | L | 88.3 | Confident | 85.8 | Confident | 24.2 Ų | 24.2 | 39 Ų | 39 | 13% | 0.127 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 128.4 | 171.5 | 168.1 | 70.8 | 0 | 0 | 0 | 110.4 | S1679 L1680 F1683 L1706 A1738 R1739 M1740 | S1679-L1704 CarbonylContact C-O 3.42Å; S1679-L1704 VanDerWaalsContact CA-O 3.3Å; S1679-L1704 WeakPolarHBondContact CA-O 3.42Å; L1680-L1704 HydrophobicContact CB-CB 4.33Å; L1680-L1704 HydrophobicContact CD1-CD2 4Å; L1680-L1704 HydrophobicContact CG-CD2 4.43Å; L1680-L1704 PolarHBondContact N-O 3.03Å; L1680-L1704 PolarHBondContact O-N 3.11Å; F1683-L1704 HydrophobicContact CD1-CB 4.32Å; F1683-L1704 HydrophobicContact CE1-CB 3.54Å; F1683-L1704 HydrophobicContact CE1-CD2 4.15Å; F1683-L1704 HydrophobicContact CE1-CG 4.41Å; F1683-L1704 HydrophobicContact CZ-CB 4.22Å; F1683-L1704 HydrophobicContact CZ-CD2 4.12Å; L1704-L1706 HydrophobicContact CD1-CB 4.41Å; L1704-L1706 HydrophobicContact CG-CB 4.39Å; L1704-A1738 HydrophobicContact CD1-CB 4.5Å; L1704-R1739 CarbonylContact C-O 3.5Å; L1704-R1739 WeakPolarHBondContact CA-O 3.37Å; L1704-M1740 HydrophobicContact CB-CG 4.44Å; L1704-M1740 HydrophobicContact CD1-CE 4.23Å; L1704-M1740 HydrophobicContact CD1-CG 3.58Å; L1704-M1740 VanDerWaalsContact CD1-CG 3.45Å; L1704-M1740 HydrophobicContact CD1-SD 4.18Å |
| 1705 | Q | 91.3 | Very high | 85.6 | Confident | 114.2 Ų | 114.2 | 39.4 Ų | 39.4 | 53% | 0.534 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 114.9 | 164.8 | -66.8 | 179.1 | -14.9 | 0 | 0 | 108.6 | I1678 A1738 R1739 | I1678-Q1705 CarbonylContact O-C 3.55Å; I1678-Q1705 WeakPolarHBondContact O-CA 3.46Å; Q1705-A1738 CarbonylContact O-C 3.56Å; Q1705-A1738 WeakPolarHBondContact O-CA 3.41Å; Q1705-R1739 HydrophobicContact CB-CB 4.42Å; Q1705-R1739 PolarHBondContact N-O 3.04Å; Q1705-R1739 PolarHBondContact O-N 2.94Å |
| 1706 | L | 91.2 | Very high | 85 | Confident | 45.4 Ų | 45.4 | 40.5 Ų | 40.5 | 24% | 0.238 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 126.7 | 177.1 | 178 | 70.6 | 0 | 0 | 0 | 109 | S1677 I1678 L1704 L1736 N1737 A1738 | S1677-L1706 CarbonylContact C-O 3.56Å; S1677-L1706 VanDerWaalsContact CA-O 3.3Å; S1677-L1706 WeakPolarHBondContact CA-O 3.35Å; I1678-L1706 HydrophobicContact CB-CB 4.18Å; I1678-L1706 HydrophobicContact CB-CD2 4.46Å; I1678-L1706 HydrophobicContact CD1-CD2 3.97Å; I1678-L1706 HydrophobicContact CG1-CD2 4.39Å; I1678-L1706 PolarHBondContact N-O 3Å; I1678-L1706 PolarHBondContact O-N 2.92Å; L1704-L1706 HydrophobicContact CD1-CB 4.41Å; L1704-L1706 HydrophobicContact CG-CB 4.39Å; L1706-L1736 HydrophobicContact CD1-CD1 3.74Å; L1706-N1737 CarbonylContact C-O 3.54Å; L1706-N1737 WeakPolarHBondContact CA-O 3.38Å; L1706-A1738 HydrophobicContact CD1-CB 3.68Å |
| 1707 | S | 91.5 | Very high | 83.9 | Confident | 40.4 Ų | 40.4 | 44.5 Ų | 44.5 | 28% | 0.283 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 129.2 | 171.5 | 59.7 | 0 | 0 | 0 | 0 | 109.6 | I1676 L1736 N1737 | I1676-S1707 CarbonylContact O-C 3.59Å; I1676-S1707 VanDerWaalsContact O-CA 3.31Å; I1676-S1707 WeakPolarHBondContact O-CA 3.39Å; S1707-L1736 CarbonylContact O-C 3.56Å; S1707-L1736 WeakPolarHBondContact O-CA 3.46Å; S1707-N1737 PolarHBondContact N-O 3.04Å; S1707-N1737 PolarHBondContact O-N 3.12Å; S1707-N1737 WeakPolarHBondContact OG-CB 3.17Å; S1707-N1737 PolarHBondContact OG-O 3.11Å |
| 1708 | S | 91.2 | Very high | 82.5 | Confident | 5.6 Ų | 5.6 | 49.8 Ų | 49.8 | 4% | 0.039 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 148.6 | 177.6 | 92.3 | 0 | 0 | 0 | 0 | 111 | N1675 I1676 H1710 F1735 L1736 | N1675-S1708 CarbonylContact C-O 3.51Å; N1675-S1708 WeakPolarHBondContact CA-O 3.32Å; I1676-S1708 WeakPolarHBondContact CB-OG 3.37Å; I1676-S1708 PolarHBondContact N-O 3.07Å; I1676-S1708 PolarHBondContact O-N 3.15Å; S1708-H1710 WeakPolarHBondContact CB-NE2 3.42Å; S1708-H1710 PolarHBondContact OG-CD2 2.95Å; S1708-H1710 PolarHBondContact OG-CE1 3.32Å; S1708-H1710 PolarHBondContact OG-NE2 3.15Å; S1708-F1735 WeakPolarHBondContact CA-O 3.37Å; S1708-L1736 VanDerWaalsContact CB-CD1 3.44Å; S1708-L1736 WeakPolarHBondContact OG-CD1 3.34Å |
| 1709 | A | 89.1 | Confident | 80.9 | Confident | 3.8 Ų | 3.8 | 51.9 Ų | 51.9 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 137.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | L1674 N1675 T1733 T1734 F1735 | L1674-A1709 CarbonylContact O-C 3.53Å; L1674-A1709 WeakPolarHBondContact O-CA 3.25Å; N1675-A1709 VanDerWaalsContact OD1-CB 3.25Å; N1675-A1709 WeakPolarHBondContact OD1-CB 3.32Å; A1709-T1733 CarbonylContact O-C 3.52Å; A1709-T1733 WeakPolarHBondContact O-CA 3.35Å; A1709-T1734 VanDerWaalsContact C-OG1 3.29Å; A1709-T1734 VanDerWaalsContact CB-OG1 3.26Å; A1709-T1734 WeakPolarHBondContact CB-OG1 3.34Å; A1709-T1734 PolarHBondContact O-N 3.23Å; A1709-T1734 PolarHBondContact O-OG1 3.08Å; A1709-T1734 VanDerWaalsContact O-OG1 3.1Å; A1709-F1735 HydrophobicContact CB-CD1 3.68Å; A1709-F1735 HydrophobicContact CB-CE1 3.31Å; A1709-F1735 HydrophobicContact CB-CE2 4.45Å; A1709-F1735 HydrophobicContact CB-CG 4.42Å; A1709-F1735 HydrophobicContact CB-CZ 3.79Å; A1709-F1735 PolarHBondContact N-O 3.04Å; A1709-F1735 PolarHBondContact O-N 2.96Å |
| 1710 | H | 87.4 | Confident | 79.3 | Confident | 34.4 Ų | 34.4 | 53.5 Ų | 53.5 | 16% | 0.159 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 138 | -177.1 | -53.7 | -87.4 | 0 | 0 | 0 | 110 | K1673 L1674 S1708 I1731 R1732 T1733 | K1673-H1710 CarbonylContact C-O 3.52Å; K1673-H1710 WeakPolarHBondContact CA-O 3.32Å; L1674-H1710 HydrophobicContact CB-CB 4.36Å; L1674-H1710 HydrophobicContact CD2-CB 4.35Å; L1674-H1710 PolarHBondContact N-O 2.87Å; L1674-H1710 PolarHBondContact O-N 3.02Å; S1708-H1710 WeakPolarHBondContact CB-NE2 3.42Å; S1708-H1710 PolarHBondContact OG-CD2 2.95Å; S1708-H1710 PolarHBondContact OG-CE1 3.32Å; S1708-H1710 PolarHBondContact OG-NE2 3.15Å; H1710-I1731 HydrophobicContact CB-CG2 3.79Å; H1710-R1732 CarbonylContact C-O 3.53Å; H1710-R1732 VanDerWaalsContact CA-O 3.26Å; H1710-R1732 WeakPolarHBondContact CA-O 3.42Å; H1710-T1733 PolarHBondContact CE1-OG1 3Å; H1710-T1733 PolarHBondContact ND1-OG1 3.02Å; H1710-T1733 VanDerWaalsContact ND1-OG1 3.13Å |
| 1711 | E | 85.9 | Confident | 77.9 | Confident | 35.4 Ų | 35.4 | 60.5 Ų | 60.5 | 17% | 0.165 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 129.4 | 175.1 | -109.5 | 173 | -177.8 | 0 | 0 | 110.8 | K1672 K1673 H1713 R1732 T1734 | K1672-E1711 WeakPolarHBondContact CE-OE1 3.38Å; K1672-E1711 HydrophobicContact CG-CG 4.37Å; K1672-E1711 WeakPolarHBondContact CG-OE1 3.32Å; K1672-E1711 IonicContact NZ-OE1 3.68Å; K1672-E1711 CarbonylContact O-C 3.58Å; K1672-E1711 VanDerWaalsContact O-CA 3.3Å; K1672-E1711 WeakPolarHBondContact O-CA 3.38Å; K1673-E1711 VanDerWaalsContact CE-OE1 3.31Å; K1673-E1711 WeakPolarHBondContact CE-OE1 3.4Å; K1673-E1711 WeakPolarHBondContact CE-OE2 3.38Å; K1673-E1711 HydrophobicContact CG-CG 4.23Å; K1673-E1711 IonicContact NZ-OE1 3.34Å; K1673-E1711 PolarHBondContact NZ-OE1 3.16Å; K1673-E1711 IonicContact NZ-OE2 3.42Å; K1673-E1711 PolarHBondContact NZ-OE2 3.43Å; E1711-H1713 PolarHBondContact O-CD2 2.94Å; E1711-H1713 PolarHBondContact O-N 3.19Å; E1711-H1713 IonicContact OE2-CE1 2.84Å; E1711-H1713 IonicContact OE2-NE2 3.56Å; E1711-H1713 PolarHBondContact OE2-NE2 2.86Å; E1711-R1732 PolarHBondContact N-O 3.12Å; E1711-R1732 PolarHBondContact O-N 3.04Å; E1711-T1734 HydrophobicContact CB-CG2 4.19Å; E1711-T1734 HydrophobicContact CG-CG2 3.67Å |
| 1712 | L | 83 | Confident | 76.8 | Confident | 31.8 Ų | 31.8 | 68.4 Ų | 68.4 | 17% | 0.166 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 115.6 | 176.9 | -161.5 | 89.7 | 0 | 0 | 0 | 109.7 | S1668 Y1671 K1672 L1714 T1729 I1731 | S1668-L1712 WeakPolarHBondContact O-CD2 3.33Å; Y1671-L1712 WeakPolarHBondContact O-CB 3.29Å; Y1671-L1712 VanDerWaalsContact O-CD2 3.26Å; Y1671-L1712 WeakPolarHBondContact O-CD2 3.35Å; K1672-L1712 PolarHBondContact O-N 3.09Å; L1712-L1714 HydrophobicContact CD2-CD2 4.15Å; L1712-L1714 HydrophobicContact CD2-CG 4.2Å; L1712-T1729 HydrophobicContact CD1-CG2 4.18Å; L1712-T1729 HydrophobicContact CD2-CG2 4.39Å; L1712-I1731 HydrophobicContact CD1-CG1 3.83Å; L1712-I1731 HydrophobicContact CD2-CD1 4.24Å; L1712-I1731 HydrophobicContact CD2-CG1 4.06Å; L1712-I1731 HydrophobicContact CG-CG1 4.06Å; L1712-I1731 HydrophobicContact CG-CG2 4.49Å |
| 1713 | H | 79.1 | Confident | 75.6 | Confident | 59.8 Ų | 59.8 | 71.6 Ų | 71.6 | 28% | 0.277 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 147 | 171.9 | -67.7 | -87.2 | 0 | 0 | 0 | 110.9 | E1711 K1730 R1732 F1778 | E1711-H1713 PolarHBondContact O-CD2 2.94Å; E1711-H1713 PolarHBondContact O-N 3.19Å; E1711-H1713 IonicContact OE2-CE1 2.84Å; E1711-H1713 IonicContact OE2-NE2 3.56Å; E1711-H1713 PolarHBondContact OE2-NE2 2.86Å; H1713-K1730 PolarHBondContact N-O 3.07Å; H1713-K1730 PolarHBondContact O-N 3.18Å; H1713-R1732 WeakPolarHBondContact NE2-CD 2.81Å; H1713-F1778 AromaticContact CE1-CE2 3.92Å; H1713-F1778 AromaticContact CE1-CZ 3.52Å; H1713-F1778 AromaticContact NE2-CZ 3.83Å |
| 1714 | L | 74.8 | Confident | 74.5 | Confident | 75.6 Ų | 75.6 | 81.1 Ų | 81.1 | 40% | 0.396 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 94.7 | 175 | -68 | 173.6 | 0 | 0 | 0 | 108.5 | R1669 L1712 K1727 R1728 T1729 | R1669-L1714 HydrophobicContact CG-CD2 4.5Å; L1712-L1714 HydrophobicContact CD2-CD2 4.15Å; L1712-L1714 HydrophobicContact CD2-CG 4.2Å; L1714-K1727 HydrophobicContact CB-CB 4.11Å; L1714-K1727 HydrophobicContact CB-CD 4.1Å; L1714-R1728 CarbonylContact C-O 3.56Å; L1714-R1728 WeakPolarHBondContact CA-O 3.35Å; L1714-T1729 HydrophobicContact CD2-CG2 3.58Å |
| 1715 | E | 70.8 | Confident | 73.5 | Confident | 69.4 Ų | 69.4 | 86.4 Ų | 86.4 | 32% | 0.324 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 133.9 | 179.6 | -69.3 | 179 | 164.4 | 0 | 0 | 110.5 | K1727 R1728 K1730 R1732 W1922 | E1715-K1727 CarbonylContact O-C 3.56Å; E1715-K1727 VanDerWaalsContact O-CA 3.24Å; E1715-K1727 WeakPolarHBondContact O-CA 3.31Å; E1715-K1727 VanDerWaalsContact O-CB 3.31Å; E1715-K1727 WeakPolarHBondContact O-CB 3.35Å; E1715-R1728 PolarHBondContact N-O 2.92Å; E1715-R1728 PolarHBondContact O-N 2.91Å; E1715-K1730 VanDerWaalsContact CD-CD 3.47Å; E1715-K1730 VanDerWaalsContact CD-NZ 3.28Å; E1715-K1730 HydrophobicContact CG-CD 4.38Å; E1715-K1730 VanDerWaalsContact OE1-CD 3.27Å; E1715-K1730 WeakPolarHBondContact OE1-CD 3.37Å; E1715-K1730 WeakPolarHBondContact OE1-CE 3.38Å; E1715-K1730 IonicContact OE1-NZ 2.78Å; E1715-K1730 PolarHBondContact OE1-NZ 3.08Å; E1715-K1730 WeakPolarHBondContact OE2-CD 3.4Å; E1715-K1730 IonicContact OE2-NZ 3.43Å; E1715-K1730 PolarHBondContact OE2-NZ 3.03Å; E1715-K1730 VanDerWaalsContact OE2-NZ 3.09Å; E1715-R1732 IonicContact OE1-CZ 3.87Å; E1715-R1732 IonicContact OE1-NE 2.65Å; E1715-R1732 IonicContact OE1-NH2 3.68Å; E1715-R1732 PolarHBondContact OE1-NH2 2.75Å; E1715-W1922 HydrophobicContact CG-CZ3 4.43Å; E1715-W1922 VanDerWaalsContact OE1-CH2 3.28Å; E1715-W1922 WeakPolarHBondContact OE1-CH2 3.39Å; E1715-W1922 WeakPolarHBondContact OE1-CZ3 3.42Å |
| 1716 | D | 68.6 | Low | 72.4 | Confident | 96.6 Ų | 96.6 | 86.8 Ų | 86.8 | 52% | 0.517 | 43% | 0.433 | S | S | . | . | trans | -73.1 | 151.1 | 168.5 | -71.8 | -55.9 | 0 | 0 | 0 | 110.5 | T1718 K1727 | D1716-T1718 PolarHBondContact O-N 3.09Å; D1716-T1718 VanDerWaalsContact O-N 3.12Å; D1716-K1727 WeakPolarHBondContact OD1-CD 3.31Å; D1716-K1727 WeakPolarHBondContact OD1-CE 3.38Å; D1716-K1727 VanDerWaalsContact OD1-CG 3.31Å; D1716-K1727 WeakPolarHBondContact OD1-CG 3.34Å; D1716-K1727 IonicContact OD1-NZ 3.16Å; D1716-K1727 PolarHBondContact OD1-NZ 2.88Å; D1716-K1727 IonicContact OD2-NZ 3.43Å; D1716-K1727 PolarHBondContact OD2-NZ 3.11Å | ||
| 1717 | F | 62.3 | Low | 71.6 | Confident | 83.4 Ų | 83.4 | 88.8 Ų | 88.8 | 37% | 0.366 | 44% | 0.44 | S | S | . | . | trans | -74.4 | 107.5 | 170.7 | -92.8 | -89.8 | 0 | 0 | 0 | 108.8 | S1719 R1725 R1726 R1728 | F1717-S1719 VanDerWaalsContact C-N 3.34Å; F1717-S1719 PolarHBondContact O-N 3.07Å; F1717-S1719 VanDerWaalsContact O-N 3.12Å; F1717-R1725 HydrophobicContact CB-CB 4.28Å; F1717-R1725 HydrophobicContact CD1-CB 4.48Å; F1717-R1725 HydrophobicContact CD2-CB 3.47Å; F1717-R1725 HydrophobicContact CD2-CG 4.41Å; F1717-R1725 HydrophobicContact CE2-CB 3.9Å; F1717-R1725 HydrophobicContact CE2-CG 4.47Å; F1717-R1725 HydrophobicContact CG-CB 3.91Å; F1717-R1725 HydrophobicContact CG-CG 4.46Å; F1717-R1725 HydrophobicContact CZ-CB 4.49Å; F1717-R1726 VanDerWaalsContact CD2-O 3.27Å; F1717-R1726 WeakPolarHBondContact CD2-O 3.42Å; F1717-R1726 WeakPolarHBondContact CE2-O 3.43Å; F1717-R1728 HydrophobicContact CE2-CB 4.34Å; F1717-R1728 HydrophobicContact CE2-CG 4.09Å; F1717-R1728 HydrophobicContact CZ-CB 4.38Å | ||
| 1718 | T | 57 | Low | 70.7 | Confident | 135.2 Ų | 135.2 | 94.7 Ų | 94.7 | 83% | 0.829 | 46% | 0.456 | S | S | * | . | trans | -81.1 | 63.6 | 168.1 | 49.9 | 0 | 0 | 0 | 0 | 109.8 | D1716 | D1716-T1718 PolarHBondContact O-N 3.09Å; D1716-T1718 VanDerWaalsContact O-N 3.12Å | ||
| 1719 | S | 52.1 | Low | 69.9 | Low | 65.4 Ų | 65.4 | 96.7 Ų | 96.7 | 46% | 0.457 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -134.1 | 136.3 | 171.7 | 13.5 | 0 | 0 | 0 | 0 | 109.4 | F1717 E1721 | F1717-S1719 VanDerWaalsContact C-N 3.34Å; F1717-S1719 PolarHBondContact O-N 3.07Å; F1717-S1719 VanDerWaalsContact O-N 3.12Å; S1719-E1721 PolarHBondContact O-N 3.37Å |
| 1720 | S | 54.1 | Low | 69.2 | Low | 99.2 Ų | 99.2 | 100.9 Ų | 100.9 | 69% | 0.694 | 49% | 0.485 | S | S | * | . | trans | -19.6 | 110.6 | 180 | 35.7 | 0 | 0 | 0 | 0 | 114.1 | L1722 L1723 | S1720-L1722 PolarHBondContact O-N 3.02Å; S1720-L1723 PolarHBondContact O-N 3.01Å | ||
| 1721 | E | 56.5 | Low | 68.6 | Low | 171.4 Ų | 171.4 | 104.4 Ų | 104.4 | 80% | 0.801 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 21.1 | -178.5 | -60.1 | -178.2 | 159.2 | 0 | 0 | 115.4 | S1719 L1723 R1725 | S1719-E1721 PolarHBondContact O-N 3.37Å; E1721-L1723 VanDerWaalsContact C-N 3.29Å; E1721-L1723 PolarHBondContact O-N 2.97Å; E1721-R1725 IonicContact OE2-CZ 3.39Å; E1721-R1725 IonicContact OE2-NH2 2.92Å; E1721-R1725 PolarHBondContact OE2-NH2 2.78Å |
| 1722 | L | 65.2 | Low | 68.2 | Low | 169.2 Ų | 169.2 | 104.9 Ų | 104.9 | 89% | 0.886 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -5.2 | 175.4 | -66.8 | 162.4 | 0 | 0 | 0 | 115.9 | S1720 | S1720-L1722 PolarHBondContact O-N 3.02Š|
| 1723 | L | 60 | Low | 68 | Low | 106.4 Ų | 106.4 | 104.5 Ų | 104.5 | 56% | 0.557 | 50% | 0.503 | S | S | * | . | trans | -112.6 | 95.1 | -175.7 | -77.1 | 167.4 | 0 | 0 | 0 | 112.7 | S1720 E1721 R1725 | S1720-L1723 PolarHBondContact O-N 3.01Å; E1721-L1723 VanDerWaalsContact C-N 3.29Å; E1721-L1723 PolarHBondContact O-N 2.97Å; L1723-R1725 VanDerWaalsContact C-N 3.3Å; L1723-R1725 PolarHBondContact O-N 3.24Å | ||
| 1724 | Y | 65 | Low | 68 | Low | 237 Ų | 237 | 103.4 Ų | 103.4 | 93% | 0.929 | 50% | 0.501 | S | S | * | . | trans | -66.6 | 92 | 170.2 | -72.3 | -78.8 | 0 | 0 | 0 | 111.8 | ||||
| 1725 | R | 66.7 | Low | 68.5 | Low | 134.4 Ų | 134.4 | 103.6 Ų | 103.6 | 51% | 0.507 | 50% | 0.498 | S | S | . | . | trans | -93.6 | 150.6 | 174.5 | -68.5 | -180 | 179.7 | 172.2 | 2.5 | 111.2 | F1717 E1721 L1723 | F1717-R1725 HydrophobicContact CB-CB 4.28Å; F1717-R1725 HydrophobicContact CD1-CB 4.48Å; F1717-R1725 HydrophobicContact CD2-CB 3.47Å; F1717-R1725 HydrophobicContact CD2-CG 4.41Å; F1717-R1725 HydrophobicContact CE2-CB 3.9Å; F1717-R1725 HydrophobicContact CE2-CG 4.47Å; F1717-R1725 HydrophobicContact CG-CB 3.91Å; F1717-R1725 HydrophobicContact CG-CG 4.46Å; F1717-R1725 HydrophobicContact CZ-CB 4.49Å; E1721-R1725 IonicContact OE2-CZ 3.39Å; E1721-R1725 IonicContact OE2-NH2 2.92Å; E1721-R1725 PolarHBondContact OE2-NH2 2.78Å; L1723-R1725 VanDerWaalsContact C-N 3.3Å; L1723-R1725 PolarHBondContact O-N 3.24Å | ||
| 1726 | R | 69.3 | Low | 69.3 | Low | 123 Ų | 123 | 102.2 Ų | 102.2 | 46% | 0.464 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 135.5 | 175.5 | -135.3 | -179.4 | -173.8 | -172.8 | 2.9 | 110.3 | I1647 N1648 Q1666 F1717 R1728 | I1647-R1726 HydrophobicContact CD1-CB 4.13Å; I1647-R1726 VanDerWaalsContact CG2-NH1 3.27Å; N1648-R1726 PolarHBondContact O-NH1 2.83Å; N1648-R1726 VanDerWaalsContact O-NH1 3.14Å; Q1666-R1726 VanDerWaalsContact OE1-CZ 3.32Å; F1717-R1726 VanDerWaalsContact CD2-O 3.27Å; F1717-R1726 WeakPolarHBondContact CD2-O 3.42Å; F1717-R1726 WeakPolarHBondContact CE2-O 3.43Å; R1726-R1728 PolarHBondContact O-N 2.99Å |
| 1727 | K | 74.3 | Confident | 70.4 | Confident | 88.4 Ų | 88.4 | 99.9 Ų | 99.9 | 38% | 0.384 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -46.3 | 133.6 | 177.2 | -50.7 | -155.2 | -174.4 | -141.5 | 0 | 112.7 | R1669 L1714 E1715 D1716 | R1669-K1727 VanDerWaalsContact CZ-O 3.3Å; R1669-K1727 PolarHBondContact NH1-O 3.07Å; R1669-K1727 PolarHBondContact NH2-O 3.1Å; L1714-K1727 HydrophobicContact CB-CB 4.11Å; L1714-K1727 HydrophobicContact CB-CD 4.1Å; E1715-K1727 CarbonylContact O-C 3.56Å; E1715-K1727 VanDerWaalsContact O-CA 3.24Å; E1715-K1727 WeakPolarHBondContact O-CA 3.31Å; E1715-K1727 VanDerWaalsContact O-CB 3.31Å; E1715-K1727 WeakPolarHBondContact O-CB 3.35Å; D1716-K1727 WeakPolarHBondContact OD1-CD 3.31Å; D1716-K1727 WeakPolarHBondContact OD1-CE 3.38Å; D1716-K1727 VanDerWaalsContact OD1-CG 3.31Å; D1716-K1727 WeakPolarHBondContact OD1-CG 3.34Å; D1716-K1727 IonicContact OD1-NZ 3.16Å; D1716-K1727 PolarHBondContact OD1-NZ 2.88Å; D1716-K1727 IonicContact OD2-NZ 3.43Å; D1716-K1727 PolarHBondContact OD2-NZ 3.11Å |
| 1728 | R | 72.7 | Confident | 71.8 | Confident | 163.4 Ų | 163.4 | 96.7 Ų | 96.7 | 62% | 0.617 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 138.2 | 177.3 | -157.1 | 177.2 | 178.8 | 174.3 | -0.5 | 109.7 | L1714 E1715 F1717 R1726 | L1714-R1728 CarbonylContact C-O 3.56Å; L1714-R1728 WeakPolarHBondContact CA-O 3.35Å; E1715-R1728 PolarHBondContact N-O 2.92Å; E1715-R1728 PolarHBondContact O-N 2.91Å; F1717-R1728 HydrophobicContact CE2-CB 4.34Å; F1717-R1728 HydrophobicContact CE2-CG 4.09Å; F1717-R1728 HydrophobicContact CZ-CB 4.38Å; R1726-R1728 PolarHBondContact O-N 2.99Å |
| 1729 | T | 73.9 | Confident | 73.5 | Confident | 46.6 Ų | 46.6 | 95.7 Ų | 95.7 | 29% | 0.286 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 123.6 | 171.9 | 39.3 | 0 | 0 | 0 | 0 | 109.4 | R1669 L1712 L1714 | R1669-T1729 HydrophobicContact CG-CG2 3.8Å; L1712-T1729 HydrophobicContact CD1-CG2 4.18Å; L1712-T1729 HydrophobicContact CD2-CG2 4.39Å; L1714-T1729 HydrophobicContact CD2-CG2 3.58Å |
| 1730 | K | 74.3 | Confident | 75.4 | Confident | 92.6 Ų | 92.6 | 94 Ų | 94 | 40% | 0.403 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 126.5 | 173.3 | -171.9 | 173.9 | 179.9 | 176.9 | 0 | 108.9 | H1713 E1715 W1922 | H1713-K1730 PolarHBondContact N-O 3.07Å; H1713-K1730 PolarHBondContact O-N 3.18Å; E1715-K1730 VanDerWaalsContact CD-CD 3.47Å; E1715-K1730 VanDerWaalsContact CD-NZ 3.28Å; E1715-K1730 HydrophobicContact CG-CD 4.38Å; E1715-K1730 VanDerWaalsContact OE1-CD 3.27Å; E1715-K1730 WeakPolarHBondContact OE1-CD 3.37Å; E1715-K1730 WeakPolarHBondContact OE1-CE 3.38Å; E1715-K1730 IonicContact OE1-NZ 2.78Å; E1715-K1730 PolarHBondContact OE1-NZ 3.08Å; E1715-K1730 WeakPolarHBondContact OE2-CD 3.4Å; E1715-K1730 IonicContact OE2-NZ 3.43Å; E1715-K1730 PolarHBondContact OE2-NZ 3.03Å; E1715-K1730 VanDerWaalsContact OE2-NZ 3.09Å; K1730-W1922 HydrophobicContact CD-CH2 3.6Å; K1730-W1922 HydrophobicContact CD-CZ2 3.84Å; K1730-W1922 HydrophobicContact CD-CZ3 4.14Å; K1730-W1922 HydrophobicContact CG-CH2 4.06Å |
| 1731 | I | 75.9 | Confident | 77.1 | Confident | 109.2 Ų | 109.2 | 91 Ų | 91 | 56% | 0.56 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 117.5 | 177.8 | -58.3 | 175.2 | 0 | 0 | 0 | 107.1 | H1710 L1712 | H1710-I1731 HydrophobicContact CB-CG2 3.79Å; L1712-I1731 HydrophobicContact CD1-CG1 3.83Å; L1712-I1731 HydrophobicContact CD2-CD1 4.24Å; L1712-I1731 HydrophobicContact CD2-CG1 4.06Å; L1712-I1731 HydrophobicContact CG-CG1 4.06Å; L1712-I1731 HydrophobicContact CG-CG2 4.49Å |
| 1732 | R | 75.7 | Confident | 78.6 | Confident | 45.2 Ų | 45.2 | 87.7 Ų | 87.7 | 17% | 0.171 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 127.2 | 174.3 | -160.9 | -179.6 | -175.5 | -167.8 | -0.1 | 108.4 | H1710 E1711 H1713 E1715 T1734 L1775 I1776 D1777 F1778 W1922 | H1710-R1732 CarbonylContact C-O 3.53Å; H1710-R1732 VanDerWaalsContact CA-O 3.26Å; H1710-R1732 WeakPolarHBondContact CA-O 3.42Å; E1711-R1732 PolarHBondContact N-O 3.12Å; E1711-R1732 PolarHBondContact O-N 3.04Å; H1713-R1732 WeakPolarHBondContact NE2-CD 2.81Å; E1715-R1732 IonicContact OE1-CZ 3.87Å; E1715-R1732 IonicContact OE1-NE 2.65Å; E1715-R1732 IonicContact OE1-NH2 3.68Å; E1715-R1732 PolarHBondContact OE1-NH2 2.75Å; R1732-T1734 PolarHBondContact O-N 3.16Å; R1732-L1775 HydrophobicContact CG-CD1 4.04Å; R1732-I1776 PolarHBondContact NH2-O 2.88Å; R1732-D1777 IonicContact CZ-OD1 3.55Å; R1732-D1777 IonicContact CZ-OD2 3.21Å; R1732-D1777 VanDerWaalsContact NH1-CG 3.28Å; R1732-D1777 IonicContact NH1-OD1 3.95Å; R1732-D1777 PolarHBondContact NH1-OD1 3Å; R1732-D1777 VanDerWaalsContact NH1-OD1 3.12Å; R1732-D1777 IonicContact NH1-OD2 2.72Å; R1732-D1777 PolarHBondContact NH1-OD2 3.27Å; R1732-D1777 IonicContact NH2-OD1 2.67Å; R1732-D1777 PolarHBondContact NH2-OD1 3.26Å; R1732-D1777 IonicContact NH2-OD2 2.65Å; R1732-F1778 VanDerWaalsContact NH1-CE2 3.29Å; R1732-W1922 HydrophobicContact CG-CZ2 3.81Å; R1732-W1922 VanDerWaalsContact NH2-CE3 3.31Å; R1732-W1922 VanDerWaalsContact NH2-CH2 3.33Å |
| 1733 | T | 79.2 | Confident | 79.8 | Confident | 23.2 Ų | 23.2 | 80 Ų | 80 | 14% | 0.142 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 119.6 | 171.6 | -55.1 | 0 | 0 | 0 | 0 | 108.4 | A1709 H1710 F1735 L1736 L1775 | A1709-T1733 CarbonylContact O-C 3.52Å; A1709-T1733 WeakPolarHBondContact O-CA 3.35Å; H1710-T1733 PolarHBondContact CE1-OG1 3Å; H1710-T1733 PolarHBondContact ND1-OG1 3.02Å; H1710-T1733 VanDerWaalsContact ND1-OG1 3.13Å; T1733-F1735 WeakPolarHBondContact CG2-O 3.4Å; T1733-L1736 HydrophobicContact CG2-CB 3.96Å; T1733-L1775 VanDerWaalsContact O-CD1 3.3Å; T1733-L1775 WeakPolarHBondContact O-CD1 3.38Å; T1733-L1775 WeakPolarHBondContact O-CG 3.36Å |
| 1734 | T | 80.1 | Confident | 81.3 | Confident | 37 Ų | 37 | 77.3 Ų | 77.3 | 23% | 0.227 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | -41.6 | 179.7 | 51.9 | 0 | 0 | 0 | 0 | 112 | A1709 E1711 R1732 L1775 | A1709-T1734 VanDerWaalsContact C-OG1 3.29Å; A1709-T1734 VanDerWaalsContact CB-OG1 3.26Å; A1709-T1734 WeakPolarHBondContact CB-OG1 3.34Å; A1709-T1734 PolarHBondContact O-N 3.23Å; A1709-T1734 PolarHBondContact O-OG1 3.08Å; A1709-T1734 VanDerWaalsContact O-OG1 3.1Å; E1711-T1734 HydrophobicContact CB-CG2 4.19Å; E1711-T1734 HydrophobicContact CG-CG2 3.67Å; R1732-T1734 PolarHBondContact O-N 3.16Å; T1734-L1775 VanDerWaalsContact CA-CD1 3.44Å; T1734-L1775 HydrophobicContact CG2-CD1 4.07Å; T1734-L1775 WeakPolarHBondContact O-CB 3.26Å; T1734-L1775 WeakPolarHBondContact O-CD1 3.38Å; T1734-L1775 VanDerWaalsContact O-CG 3.27Å; T1734-L1775 WeakPolarHBondContact O-CG 3.22Å; T1734-L1775 PolarHBondContact O-N 2.99Å; T1734-L1775 VanDerWaalsContact O-N 3.13Å |
| 1735 | F | 84.5 | Confident | 82.5 | Confident | 79.2 Ų | 79.2 | 66.8 Ų | 66.8 | 35% | 0.347 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 157.2 | 164.6 | 70.7 | -95.2 | 0 | 0 | 0 | 110.4 | S1708 A1709 T1733 R1773 D1774 | S1708-F1735 WeakPolarHBondContact CA-O 3.37Å; A1709-F1735 HydrophobicContact CB-CD1 3.68Å; A1709-F1735 HydrophobicContact CB-CE1 3.31Å; A1709-F1735 HydrophobicContact CB-CE2 4.45Å; A1709-F1735 HydrophobicContact CB-CG 4.42Å; A1709-F1735 HydrophobicContact CB-CZ 3.79Å; A1709-F1735 PolarHBondContact N-O 3.04Å; A1709-F1735 PolarHBondContact O-N 2.96Å; T1733-F1735 WeakPolarHBondContact CG2-O 3.4Å; F1735-R1773 CarbonylContact C-O 3.52Å; F1735-R1773 VanDerWaalsContact CA-O 3.28Å; F1735-R1773 WeakPolarHBondContact CA-O 3.35Å; F1735-D1774 WeakPolarHBondContact CB-OD1 3.25Å |
| 1736 | L | 87.7 | Confident | 83.5 | Confident | 40 Ų | 40 | 61.8 Ų | 61.8 | 21% | 0.209 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 113.3 | 171.9 | 174.3 | 68.5 | 0 | 0 | 0 | 108.7 | L1706 S1707 S1708 T1733 Y1771 C1772 R1773 | L1706-L1736 HydrophobicContact CD1-CD1 3.74Å; S1707-L1736 CarbonylContact O-C 3.56Å; S1707-L1736 WeakPolarHBondContact O-CA 3.46Å; S1708-L1736 VanDerWaalsContact CB-CD1 3.44Å; S1708-L1736 WeakPolarHBondContact OG-CD1 3.34Å; T1733-L1736 HydrophobicContact CG2-CB 3.96Å; L1736-Y1771 HydrophobicContact CB-CE1 4.12Å; L1736-Y1771 HydrophobicContact CD2-CD1 4.37Å; L1736-Y1771 HydrophobicContact CD2-CE1 3.57Å; L1736-Y1771 VanDerWaalsContact CD2-CE1 3.49Å; L1736-Y1771 HydrophobicContact CG-CD1 4.27Å; L1736-Y1771 HydrophobicContact CG-CE1 3.72Å; L1736-Y1771 WeakPolarHBondContact O-CD1 3.32Å; L1736-Y1771 WeakPolarHBondContact O-CE1 3.43Å; L1736-C1772 CarbonylContact O-C 3.53Å; L1736-C1772 WeakPolarHBondContact O-CA 3.27Å; L1736-R1773 HydrophobicContact CB-CB 4.15Å; L1736-R1773 PolarHBondContact N-O 3.01Å; L1736-R1773 VanDerWaalsContact N-O 3.11Å; L1736-R1773 PolarHBondContact O-N 3.06Å |
| 1737 | N | 90.8 | Very high | 84.4 | Confident | 49 Ų | 49 | 56.2 Ų | 56.2 | 26% | 0.262 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 122.5 | 179.1 | -140.5 | -13.8 | 0 | 0 | 0 | 108.9 | L1706 S1707 R1739 Y1771 | L1706-N1737 CarbonylContact C-O 3.54Å; L1706-N1737 WeakPolarHBondContact CA-O 3.38Å; S1707-N1737 PolarHBondContact N-O 3.04Å; S1707-N1737 PolarHBondContact O-N 3.12Å; S1707-N1737 WeakPolarHBondContact OG-CB 3.17Å; S1707-N1737 PolarHBondContact OG-O 3.11Å; N1737-R1739 WeakPolarHBondContact OD1-CG 3.44Å; N1737-R1739 PolarHBondContact OD1-NE 3.32Å; N1737-Y1771 CarbonylContact C-O 3.57Å; N1737-Y1771 VanDerWaalsContact CA-O 3.27Å; N1737-Y1771 WeakPolarHBondContact CA-O 3.39Å; N1737-Y1771 PolarHBondContact OD1-O 2.85Å |
| 1738 | A | 91.7 | Very high | 84.8 | Confident | 16.2 Ų | 16.2 | 52.5 Ų | 52.5 | 13% | 0.134 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 128.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | L1704 Q1705 L1706 T1770 Y1771 | L1704-A1738 HydrophobicContact CD1-CB 4.5Å; Q1705-A1738 CarbonylContact O-C 3.56Å; Q1705-A1738 WeakPolarHBondContact O-CA 3.41Å; L1706-A1738 HydrophobicContact CD1-CB 3.68Å; A1738-T1770 CarbonylContact O-C 3.56Å; A1738-T1770 WeakPolarHBondContact O-CA 3.34Å; A1738-Y1771 HydrophobicContact CB-CD1 4.23Å; A1738-Y1771 PolarHBondContact N-O 3.16Å; A1738-Y1771 PolarHBondContact O-N 2.96Å |
| 1739 | R | 92.7 | Very high | 84.7 | Confident | 112.8 Ų | 112.8 | 45 Ų | 45 | 43% | 0.426 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 127.9 | 175.7 | -98.4 | 178.1 | 178.1 | 163.9 | -2.7 | 109.1 | L1704 Q1705 N1737 L1769 T1770 | L1704-R1739 CarbonylContact C-O 3.5Å; L1704-R1739 WeakPolarHBondContact CA-O 3.37Å; Q1705-R1739 HydrophobicContact CB-CB 4.42Å; Q1705-R1739 PolarHBondContact N-O 3.04Å; Q1705-R1739 PolarHBondContact O-N 2.94Å; N1737-R1739 WeakPolarHBondContact OD1-CG 3.44Å; N1737-R1739 PolarHBondContact OD1-NE 3.32Å; R1739-L1769 CarbonylContact C-O 3.51Å; R1739-L1769 WeakPolarHBondContact CA-O 3.39Å; R1739-T1770 HydrophobicContact CB-CG2 4.23Å; R1739-T1770 HydrophobicContact CG-CG2 3.91Å |
| 1740 | M | 92 | Very high | 84.2 | Confident | 30.6 Ų | 30.6 | 48.1 Ų | 48.1 | 15% | 0.151 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 139.5 | 178.6 | -54.5 | 179.1 | 65 | 0 | 0 | 109.3 | F1683 F1699 C1701 A1703 L1704 V1743 R1768 L1769 | F1683-M1740 HydrophobicContact CE1-CE 4.05Å; F1683-M1740 HydrophobicContact CZ-CE 3.75Å; F1683-M1740 VanDerWaalsContact CZ-CE 3.49Å; F1699-M1740 HydrophobicContact CE1-CE 3.65Å; F1699-M1740 HydrophobicContact CZ-CE 3.49Å; F1699-M1740 HydrophobicContact CZ-SD 4.49Å; C1701-M1740 HydrophobicContact CB-CE 4.03Å; C1701-M1740 VanDerWaalsContact SG-CE 3.6Å; A1703-M1740 VanDerWaalsContact O-CA 3.28Å; A1703-M1740 WeakPolarHBondContact O-CA 3.28Å; L1704-M1740 HydrophobicContact CB-CG 4.44Å; L1704-M1740 HydrophobicContact CD1-CE 4.23Å; L1704-M1740 HydrophobicContact CD1-CG 3.58Å; L1704-M1740 VanDerWaalsContact CD1-CG 3.45Å; L1704-M1740 HydrophobicContact CD1-SD 4.18Å; M1740-V1743 HydrophobicContact CB-CG2 3.67Å; M1740-V1743 HydrophobicContact CE-CG1 4.33Å; M1740-V1743 HydrophobicContact CE-CG2 3.93Å; M1740-R1768 CarbonylContact O-C 3.46Å; M1740-R1768 WeakPolarHBondContact O-CA 3.41Å; M1740-L1769 HydrophobicContact CB-CB 4.21Å; M1740-L1769 HydrophobicContact CB-CD2 4.34Å; M1740-L1769 HydrophobicContact CG-CD2 4.34Å; M1740-L1769 PolarHBondContact N-O 3.07Å; M1740-L1769 PolarHBondContact O-N 3.02Å; M1740-L1769 HydrophobicContact SD-CD2 3.88Å |
| 1741 | S | 89.8 | Confident | 83.4 | Confident | 37 Ų | 37 | 45.9 Ų | 45.9 | 26% | 0.259 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 142.6 | 178.6 | -54.1 | 0 | 0 | 0 | 0 | 110.2 | C1701 S1702 A1703 D1767 | C1701-S1741 PolarHBondContact SG-O 2.82Å; S1702-S1741 PolarHBondContact N-O 3.07Å; S1702-S1741 VanDerWaalsContact N-O 3.14Å; S1702-S1741 VanDerWaalsContact OG-C 3.26Å; S1702-S1741 PolarHBondContact OG-O 3.26Å; A1703-S1741 PolarHBondContact O-N 3.07Å; A1703-S1741 VanDerWaalsContact O-N 3.09Å; S1741-D1767 CarbonylContact C-O 3.51Å; S1741-D1767 WeakPolarHBondContact CA-O 3.33Å |
| 1742 | H | 89.5 | Confident | 82.2 | Confident | 102 Ų | 102 | 46 Ų | 46 | 47% | 0.472 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 41.9 | 77.2 | -177.8 | -48.4 | -64 | 0 | 0 | 0 | 112.1 | C1701 S1702 I1766 D1767 | C1701-H1742 WeakPolarHBondContact CA-O 3.43Å; S1702-H1742 PolarHBondContact N-O 3.16Å; S1702-H1742 VanDerWaalsContact N-O 3.14Å; S1702-H1742 WeakPolarHBondContact OG-CB 3.34Å; S1702-H1742 PolarHBondContact OG-CD2 3.07Å; H1742-I1766 CarbonylContact C-O 3.53Å; H1742-I1766 VanDerWaalsContact CA-O 3.28Å; H1742-I1766 WeakPolarHBondContact CA-O 3.29Å; H1742-I1766 PolarHBondContact N-O 3.48Å; H1742-D1767 IonicContact CE1-OD1 3.2Å; H1742-D1767 PolarHBondContact CE1-OD1 3.01Å; H1742-D1767 PolarHBondContact N-O 3.26Å; H1742-D1767 IonicContact ND1-OD1 3.05Å; H1742-D1767 PolarHBondContact ND1-OD1 3.17Å; H1742-D1767 VanDerWaalsContact ND1-OD1 3.12Å; H1742-D1767 IonicContact NE2-OD1 3.42Å |
| 1743 | V | 90.3 | Very high | 81 | Confident | 7.8 Ų | 7.8 | 50.1 Ų | 50.1 | 5% | 0.047 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 113.1 | -179.9 | 174.9 | 0 | 0 | 0 | 0 | 108.6 | F1699 T1700 C1701 M1740 G1765 I1766 | F1699-V1743 HydrophobicContact CD2-CG1 4.08Å; F1699-V1743 HydrophobicContact CE1-CG1 4.26Å; F1699-V1743 HydrophobicContact CE2-CB 4.41Å; F1699-V1743 HydrophobicContact CE2-CG1 3.22Å; F1699-V1743 HydrophobicContact CZ-CB 4.33Å; F1699-V1743 HydrophobicContact CZ-CG1 3.33Å; F1699-V1743 HydrophobicContact CZ-CG2 4.21Å; T1700-V1743 CarbonylContact O-C 3.46Å; T1700-V1743 VanDerWaalsContact O-CA 3.26Å; T1700-V1743 WeakPolarHBondContact O-CA 3.37Å; C1701-V1743 HydrophobicContact CB-CG2 4.09Å; C1701-V1743 VanDerWaalsContact SG-CG2 3.57Å; M1740-V1743 HydrophobicContact CB-CG2 3.67Å; M1740-V1743 HydrophobicContact CE-CG1 4.33Å; M1740-V1743 HydrophobicContact CE-CG2 3.93Å; V1743-G1765 CarbonylContact O-C 3.54Å; V1743-G1765 VanDerWaalsContact O-CA 3.29Å; V1743-G1765 WeakPolarHBondContact O-CA 3.3Å; V1743-I1766 HydrophobicContact CB-CB 4.24Å; V1743-I1766 PolarHBondContact N-O 3.05Å; V1743-I1766 PolarHBondContact O-N 3.08Å |
| 1744 | D | 90.3 | Very high | 79.7 | Confident | 48.4 Ų | 48.4 | 54.5 Ų | 54.5 | 26% | 0.259 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 136.2 | 175.3 | -53.1 | -54.6 | 0 | 0 | 0 | 110.6 | F1699 T1700 Y1746 F1762 V1764 G1765 | F1699-D1744 CarbonylContact C-O 3.54Å; F1699-D1744 WeakPolarHBondContact CA-O 3.44Å; T1700-D1744 PolarHBondContact N-O 2.99Å; T1700-D1744 PolarHBondContact O-N 3.07Å; T1700-D1744 WeakPolarHBondContact OG1-CA 3.21Å; T1700-D1744 VanDerWaalsContact OG1-CB 3.28Å; T1700-D1744 WeakPolarHBondContact OG1-CB 3.37Å; T1700-D1744 PolarHBondContact OG1-N 3.28Å; T1700-D1744 VanDerWaalsContact OG1-N 3.12Å; T1700-D1744 PolarHBondContact OG1-O 3.2Å; T1700-D1744 PolarHBondContact OG1-OD2 3.02Å; D1744-Y1746 HydrophobicContact CB-CD2 4.43Å; D1744-Y1746 HydrophobicContact CB-CE2 3.66Å; D1744-F1762 HydrophobicContact CB-CE2 4.22Å; D1744-V1764 CarbonylContact C-O 3.54Å; D1744-G1765 VanDerWaalsContact OD1-CA 3.24Å; D1744-G1765 WeakPolarHBondContact OD1-CA 3.19Å |
| 1745 | C | 90.4 | Very high | 78.3 | Confident | 17.6 Ų | 17.6 | 57 Ų | 57 | 12% | 0.119 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 125.4 | -178.4 | -175.5 | 0 | 0 | 0 | 0 | 108.9 | V1697 H1698 F1699 F1763 V1764 | V1697-C1745 VanDerWaalsContact CG1-SG 3.54Å; V1697-C1745 WeakPolarHBondContact CG1-SG 3.37Å; H1698-C1745 CarbonylContact O-C 3.44Å; H1698-C1745 WeakPolarHBondContact O-CA 3.33Å; F1699-C1745 HydrophobicContact CD1-CB 3.93Å; F1699-C1745 HydrophobicContact CE1-CB 3.95Å; F1699-C1745 WeakPolarHBondContact CE1-SG 3.3Å; C1745-F1763 WeakPolarHBondContact O-CA 3.45Å; C1745-F1763 WeakPolarHBondContact O-CB 3.36Å; C1745-F1763 PolarHBondContact O-N 3.04Å; C1745-V1764 HydrophobicContact CB-CB 4.31Å; C1745-V1764 WeakPolarHBondContact CB-O 3.29Å; C1745-V1764 PolarHBondContact N-O 3.26Å; C1745-V1764 PolarHBondContact O-N 2.99Å; C1745-V1764 VanDerWaalsContact O-N 3.14Å |
| 1746 | Y | 88.9 | Confident | 76.9 | Confident | 28.8 Ų | 28.8 | 54.9 Ų | 54.9 | 11% | 0.113 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 139.6 | 178.7 | -53.4 | -98.5 | 0 | 0 | 0 | 109.7 | V1697 H1698 T1700 D1744 V1756 E1758 K1760 S1761 F1762 | V1697-Y1746 WeakPolarHBondContact CA-O 3.36Å; H1698-Y1746 PolarHBondContact N-O 3.03Å; H1698-Y1746 PolarHBondContact O-N 2.98Å; T1700-Y1746 HydrophobicContact CG2-CD2 4.33Å; T1700-Y1746 HydrophobicContact CG2-CE2 4.01Å; D1744-Y1746 HydrophobicContact CB-CD2 4.43Å; D1744-Y1746 HydrophobicContact CB-CE2 3.66Å; Y1746-V1756 HydrophobicContact CD1-CG1 4.23Å; Y1746-V1756 HydrophobicContact CG-CG1 4.09Å; Y1746-E1758 HydrophobicContact CD1-CB 4.46Å; Y1746-E1758 HydrophobicContact CE1-CB 3.98Å; Y1746-E1758 HydrophobicContact CE1-CG 4.16Å; Y1746-K1760 HydrophobicContact CD1-CB 4.24Å; Y1746-S1761 CarbonylContact C-O 3.53Å; Y1746-S1761 VanDerWaalsContact CA-O 3.27Å; Y1746-S1761 WeakPolarHBondContact CA-O 3.3Å; Y1746-S1761 WeakPolarHBondContact CB-O 3.34Å; Y1746-F1762 HydrophobicContact CD1-CB 4.06Å; Y1746-F1762 HydrophobicContact CD1-CD2 4.35Å; Y1746-F1762 HydrophobicContact CE1-CB 4.07Å; Y1746-F1762 AromaticContact CE1-CD2 3.86Å; Y1746-F1762 HydrophobicContact CE1-CD2 3.86Å; Y1746-F1762 HydrophobicContact CE1-CG 4.42Å |
| 1747 | L | 87.9 | Confident | 75.6 | Confident | 5.4 Ų | 5.4 | 57.2 Ų | 57.2 | 3% | 0.028 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 122.8 | 174.8 | -66.4 | 175.1 | 0 | 0 | 0 | 109.5 | V1697 S1761 F1763 N1812 I1815 A1816 I1819 | V1697-L1747 HydrophobicContact CG1-CD2 4.42Å; V1697-L1747 HydrophobicContact CG2-CD2 4.04Å; L1747-S1761 PolarHBondContact N-O 3.23Å; L1747-S1761 WeakPolarHBondContact O-CB 3.29Å; L1747-S1761 PolarHBondContact O-N 2.88Å; L1747-S1761 PolarHBondContact O-OG 2.97Å; L1747-F1763 HydrophobicContact CD1-CB 3.89Å; L1747-F1763 HydrophobicContact CD1-CD1 4.1Å; L1747-F1763 HydrophobicContact CD1-CD2 3.77Å; L1747-F1763 HydrophobicContact CD1-CE1 4.48Å; L1747-F1763 HydrophobicContact CD1-CE2 4.15Å; L1747-F1763 HydrophobicContact CD1-CG 3.65Å; L1747-F1763 HydrophobicContact CD2-CD1 4.23Å; L1747-F1763 HydrophobicContact CG-CB 3.78Å; L1747-F1763 HydrophobicContact CG-CD1 4.15Å; L1747-F1763 HydrophobicContact CG-CD2 4.38Å; L1747-F1763 HydrophobicContact CG-CG 3.91Å; L1747-N1812 HydrophobicContact CD1-CB 3.87Å; L1747-N1812 WeakPolarHBondContact CD1-O 3.35Å; L1747-I1815 HydrophobicContact CB-CB 4.33Å; L1747-I1815 HydrophobicContact CB-CD1 4.28Å; L1747-I1815 HydrophobicContact CB-CG2 4.03Å; L1747-I1815 HydrophobicContact CD1-CB 4.45Å; L1747-I1815 HydrophobicContact CD1-CG2 4.46Å; L1747-I1815 HydrophobicContact CD2-CG2 4.23Å; L1747-I1815 HydrophobicContact CG-CG2 4.48Å; L1747-A1816 HydrophobicContact CD1-CB 4.31Å; L1747-I1819 HydrophobicContact CD2-CD1 4.43Å |
| 1748 | L | 81.8 | Confident | 74.1 | Confident | 10 Ų | 10 | 61 Ų | 61 | 5% | 0.052 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 134.9 | -179.6 | -55.1 | 179.2 | 0 | 0 | 0 | 109.3 | T1686 W1688 R1695 G1696 H1698 V1756 K1760 | T1686-L1748 HydrophobicContact CG2-CD1 4.15Å; W1688-L1748 HydrophobicContact CH2-CB 3.78Å; W1688-L1748 HydrophobicContact CH2-CD1 3.55Å; W1688-L1748 VanDerWaalsContact CH2-CD1 3.48Å; W1688-L1748 HydrophobicContact CH2-CG 4.32Å; W1688-L1748 HydrophobicContact CZ2-CB 4.42Å; W1688-L1748 HydrophobicContact CZ2-CD1 3.49Å; W1688-L1748 VanDerWaalsContact CZ2-CD1 3.45Å; W1688-L1748 HydrophobicContact CZ3-CB 4.23Å; W1688-L1748 HydrophobicContact CZ3-CD1 4.42Å; R1695-L1748 CarbonylContact C-O 3.51Å; R1695-L1748 VanDerWaalsContact CA-O 3.25Å; R1695-L1748 WeakPolarHBondContact CA-O 3.41Å; G1696-L1748 PolarHBondContact N-O 3.14Å; G1696-L1748 PolarHBondContact O-N 2.92Å; H1698-L1748 HydrophobicContact CB-CD1 4.08Å; H1698-L1748 HydrophobicContact CB-CD2 4.32Å; H1698-L1748 HydrophobicContact CB-CG 4.18Å; L1748-V1756 HydrophobicContact CD1-CG1 4.24Å; L1748-V1756 HydrophobicContact CD2-CB 4.3Å; L1748-V1756 HydrophobicContact CD2-CG1 3.98Å; L1748-V1756 HydrophobicContact CD2-CG2 3.85Å; L1748-K1760 HydrophobicContact CD2-CB 4.39Å; L1748-K1760 HydrophobicContact CD2-CG 3.71Å |
| 1749 | G | 72 | Confident | 72.8 | Confident | 7.2 Ų | 7.2 | 67.6 Ų | 67.6 | 7% | 0.074 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 137.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D1694 C1751 | D1694-G1749 VanDerWaalsContact O-CA 3.32Å; D1694-G1749 WeakPolarHBondContact O-CA 3.47Å; G1749-C1751 VanDerWaalsContact C-N 3.28Å; G1749-C1751 PolarHBondContact O-N 3.16Å; G1749-C1751 VanDerWaalsContact O-N 3.13Å |
| 1750 | N | 63.3 | Low | 71.6 | Confident | 111.4 Ų | 111.4 | 66.9 Ų | 66.9 | 60% | 0.596 | 35% | 0.354 | S | S | * | . | S | Bend | trans | 57.3 | 27.4 | 173.6 | -62.3 | 9 | 0 | 0 | 0 | 116 | D1694 R1695 P1752 | D1694-N1750 PolarHBondContact O-N 3.07Å; D1694-N1750 VanDerWaalsContact O-N 3.1Å; D1694-N1750 PolarHBondContact OD2-OD1 3.04Å; R1695-N1750 PolarHBondContact NH2-OD1 3.01Å; N1750-P1752 VanDerWaalsContact O-CD 3.24Å; N1750-P1752 WeakPolarHBondContact O-CD 3.18Å |
| 1751 | C | 56.3 | Low | 70.9 | Confident | 46 Ų | 46 | 65.7 Ų | 65.7 | 31% | 0.311 | 35% | 0.349 | S | S | . | . | trans | -101.8 | 112.7 | 175 | -81.2 | 0 | 0 | 0 | 0 | 110.9 | W1688 D1694 G1749 D1753 H1754 C1755 | W1688-C1751 HydrophobicContact CH2-CB 4.23Å; D1694-C1751 PolarHBondContact O-N 3.02Å; G1749-C1751 VanDerWaalsContact C-N 3.28Å; G1749-C1751 PolarHBondContact O-N 3.16Å; G1749-C1751 VanDerWaalsContact O-N 3.13Å; C1751-D1753 VanDerWaalsContact C-N 3.3Å; C1751-D1753 PolarHBondContact O-N 2.99Å; C1751-H1754 PolarHBondContact O-N 3Å; C1751-C1755 PolarHBondContact SG-N 2.89Å; C1751-C1755 VanDerWaalsContact SG-N 3.36Å; C1751-C1755 PolarHBondContact SG-O 2.93Å | ||
| 1752 | P | 51.8 | Low | 70.7 | Confident | 111.8 Ų | 111.8 | 65.5 Ų | 65.5 | 73% | 0.726 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -31.9 | -178.3 | 25.6 | -32.5 | 0 | 0 | 0 | 113.5 | N1750 H1754 | N1750-P1752 VanDerWaalsContact O-CD 3.24Å; N1750-P1752 WeakPolarHBondContact O-CD 3.18Å; P1752-H1754 PolarHBondContact O-N 2.88Å |
| 1753 | D | 48.9 | Very low | 70.6 | Confident | 130.2 Ų | 130.2 | 62.8 Ų | 62.8 | 70% | 0.696 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 26 | -173.5 | -69.3 | -40.9 | 0 | 0 | 0 | 114 | C1751 C1755 | C1751-D1753 VanDerWaalsContact C-N 3.3Å; C1751-D1753 PolarHBondContact O-N 2.99Å; D1753-C1755 HydrophobicContact CB-CB 4.33Å; D1753-C1755 PolarHBondContact O-N 3.02Å |
| 1754 | H | 52.3 | Low | 70.6 | Confident | 116.6 Ų | 116.6 | 63.8 Ų | 63.8 | 54% | 0.54 | 34% | 0.336 | S | S | . | . | trans | 40.1 | 16.3 | -171.5 | -56.7 | -55.1 | 0 | 0 | 0 | 114.7 | W1688 F1691 C1751 P1752 V1756 | W1688-H1754 AromaticContact CD2-ND1 3.88Å; W1688-H1754 AromaticContact CE2-ND1 3.48Å; W1688-H1754 AromaticContact CH2-ND1 3.58Å; W1688-H1754 HydrophobicContact CZ2-CB 4.24Å; W1688-H1754 AromaticContact CZ2-CE1 3.92Å; W1688-H1754 AromaticContact CZ2-CG 3.97Å; W1688-H1754 AromaticContact CZ2-ND1 3.5Å; W1688-H1754 WeakPolarHBondContact CZ2-ND1 3.38Å; W1688-H1754 AromaticContact NE1-ND1 3.74Å; W1688-H1754 PolarHBondContact NE1-ND1 2.94Å; F1691-H1754 AromaticContact CD2-NE2 3.86Å; F1691-H1754 AromaticContact CE2-NE2 3.77Å; F1691-H1754 PolarHBondContact O-CE1 3.47Å; F1691-H1754 PolarHBondContact O-NE2 3.48Å; C1751-H1754 PolarHBondContact O-N 3Å; P1752-H1754 PolarHBondContact O-N 2.88Å; H1754-V1756 PolarHBondContact O-N 3.24Å | ||
| 1755 | C | 51.4 | Low | 70.6 | Confident | 88.8 Ų | 88.8 | 61.8 Ų | 61.8 | 60% | 0.6 | 33% | 0.326 | S | S | * | . | trans | -75.2 | 123.9 | 175.1 | -139.4 | 0 | 0 | 0 | 0 | 109.1 | C1751 D1753 D1757 | C1751-C1755 PolarHBondContact SG-N 2.89Å; C1751-C1755 VanDerWaalsContact SG-N 3.36Å; C1751-C1755 PolarHBondContact SG-O 2.93Å; D1753-C1755 HydrophobicContact CB-CB 4.33Å; D1753-C1755 PolarHBondContact O-N 3.02Å; C1755-D1757 PolarHBondContact O-N 2.89Å | ||
| 1756 | V | 56 | Low | 70.6 | Confident | 36 Ų | 36 | 62.2 Ų | 62.2 | 22% | 0.218 | 33% | 0.327 | C | S | . | . | trans | -82.5 | 96.6 | -177.6 | -170 | 0 | 0 | 0 | 0 | 108.8 | H1698 Y1746 L1748 H1754 E1758 K1760 S1761 | H1698-V1756 HydrophobicContact CB-CG1 4.47Å; Y1746-V1756 HydrophobicContact CD1-CG1 4.23Å; Y1746-V1756 HydrophobicContact CG-CG1 4.09Å; L1748-V1756 HydrophobicContact CD1-CG1 4.24Å; L1748-V1756 HydrophobicContact CD2-CB 4.3Å; L1748-V1756 HydrophobicContact CD2-CG1 3.98Å; L1748-V1756 HydrophobicContact CD2-CG2 3.85Å; H1754-V1756 PolarHBondContact O-N 3.24Å; V1756-E1758 VanDerWaalsContact C-N 3.3Å; V1756-E1758 HydrophobicContact CB-CG 4.45Å; V1756-E1758 HydrophobicContact CG1-CG 4.23Å; V1756-E1758 PolarHBondContact O-N 3.13Å; V1756-K1760 HydrophobicContact CG1-CD 4.14Å; V1756-K1760 WeakPolarHBondContact O-CE 3.41Å; V1756-K1760 VanDerWaalsContact O-CG 3.23Å; V1756-K1760 WeakPolarHBondContact O-CG 3.45Å; V1756-S1761 VanDerWaalsContact CG1-OG 3.28Å; V1756-S1761 WeakPolarHBondContact CG1-OG 3.3Å | ||
| 1757 | D | 59.6 | Low | 70.7 | Confident | 87.4 Ų | 87.4 | 63.5 Ų | 63.5 | 47% | 0.467 | 34% | 0.336 | S | S | . | . | trans | -77 | 66.2 | 174.5 | -134.3 | -16.8 | 0 | 0 | 0 | 110 | C1755 K1759 K1760 S1761 | C1755-D1757 PolarHBondContact O-N 2.89Å; D1757-K1759 PolarHBondContact O-N 3.31Å; D1757-K1759 VanDerWaalsContact O-N 3.08Å; D1757-K1759 PolarHBondContact OD1-N 2.77Å; D1757-K1760 HydrophobicContact CB-CB 4.49Å; D1757-K1760 PolarHBondContact O-N 3.17Å; D1757-K1760 VanDerWaalsContact O-N 3.08Å; D1757-K1760 IonicContact OD1-NZ 3.89Å; D1757-K1760 PolarHBondContact OD1-NZ 3.22Å; D1757-K1760 VanDerWaalsContact OD2-CD 3.28Å; D1757-K1760 WeakPolarHBondContact OD2-CD 3.26Å; D1757-K1760 WeakPolarHBondContact OD2-CE 3.49Å; D1757-K1760 WeakPolarHBondContact OD2-CG 3.34Å; D1757-K1760 IonicContact OD2-NZ 3.08Å; D1757-K1760 PolarHBondContact OD2-NZ 3.35Å; D1757-S1761 VanDerWaalsContact C-OG 3.26Å; D1757-S1761 WeakPolarHBondContact O-CB 3.34Å; D1757-S1761 PolarHBondContact O-N 2.94Å; D1757-S1761 VanDerWaalsContact O-N 3.07Å; D1757-S1761 PolarHBondContact O-OG 3.28Å | ||
| 1758 | E | 60.2 | Low | 70.8 | Confident | 129.8 Ų | 129.8 | 68.1 Ų | 68.1 | 61% | 0.607 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -56.7 | -35.3 | -170.8 | -66.2 | -175.7 | 167.5 | 0 | 0 | 113.1 | Y1746 V1756 K1760 S1761 F1762 | Y1746-E1758 HydrophobicContact CD1-CB 4.46Å; Y1746-E1758 HydrophobicContact CE1-CB 3.98Å; Y1746-E1758 HydrophobicContact CE1-CG 4.16Å; V1756-E1758 VanDerWaalsContact C-N 3.3Å; V1756-E1758 HydrophobicContact CB-CG 4.45Å; V1756-E1758 HydrophobicContact CG1-CG 4.23Å; V1756-E1758 PolarHBondContact O-N 3.13Å; E1758-K1760 VanDerWaalsContact C-N 3.3Å; E1758-K1760 PolarHBondContact O-N 3Å; E1758-S1761 WeakPolarHBondContact CA-OG 3.39Å; E1758-F1762 VanDerWaalsContact O-CB 3.27Å; E1758-F1762 WeakPolarHBondContact O-CB 3.23Å; E1758-F1762 PolarHBondContact O-N 2.99Å; E1758-F1762 VanDerWaalsContact O-N 3.12Å |
| 1759 | K | 62.6 | Low | 71.3 | Confident | 153.6 Ų | 153.6 | 69.4 Ų | 69.4 | 67% | 0.668 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -81.4 | -19.6 | -177.1 | -64.9 | -176.7 | 178.6 | -177.1 | 0 | 113.6 | D1757 S2115 D2117 | D1757-K1759 PolarHBondContact O-N 3.31Å; D1757-K1759 VanDerWaalsContact O-N 3.08Å; D1757-K1759 PolarHBondContact OD1-N 2.77Å; K1759-S2115 WeakPolarHBondContact O-CB 3.46Å; K1759-D2117 VanDerWaalsContact CD-OD1 3.28Å; K1759-D2117 WeakPolarHBondContact CD-OD1 3.36Å; K1759-D2117 WeakPolarHBondContact CE-OD1 3.47Å; K1759-D2117 IonicContact NZ-OD1 3.59Å; K1759-D2117 PolarHBondContact NZ-OD1 3.39Å; K1759-D2117 IonicContact NZ-OD2 2.69Å; K1759-D2117 PolarHBondContact NZ-OD2 2.72Å |
| 1760 | K | 68.5 | Low | 72.2 | Confident | 98.2 Ų | 98.2 | 70.1 Ų | 70.1 | 43% | 0.427 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -95.2 | -20.5 | 178.8 | -62.2 | -175.5 | -169.7 | 156 | 0 | 112 | Y1746 L1748 V1756 D1757 E1758 F1811 L2113 L2116 | Y1746-K1760 HydrophobicContact CD1-CB 4.24Å; L1748-K1760 HydrophobicContact CD2-CB 4.39Å; L1748-K1760 HydrophobicContact CD2-CG 3.71Å; V1756-K1760 HydrophobicContact CG1-CD 4.14Å; V1756-K1760 WeakPolarHBondContact O-CE 3.41Å; V1756-K1760 VanDerWaalsContact O-CG 3.23Å; V1756-K1760 WeakPolarHBondContact O-CG 3.45Å; D1757-K1760 HydrophobicContact CB-CB 4.49Å; D1757-K1760 PolarHBondContact O-N 3.17Å; D1757-K1760 VanDerWaalsContact O-N 3.08Å; D1757-K1760 IonicContact OD1-NZ 3.89Å; D1757-K1760 PolarHBondContact OD1-NZ 3.22Å; D1757-K1760 VanDerWaalsContact OD2-CD 3.28Å; D1757-K1760 WeakPolarHBondContact OD2-CD 3.26Å; D1757-K1760 WeakPolarHBondContact OD2-CE 3.49Å; D1757-K1760 WeakPolarHBondContact OD2-CG 3.34Å; D1757-K1760 IonicContact OD2-NZ 3.08Å; D1757-K1760 PolarHBondContact OD2-NZ 3.35Å; E1758-K1760 VanDerWaalsContact C-N 3.3Å; E1758-K1760 PolarHBondContact O-N 3Å; K1760-F1811 WeakPolarHBondContact O-CD1 3.48Å; K1760-L2113 HydrophobicContact CD-CD2 4.24Å; K1760-L2116 HydrophobicContact CG-CD1 4.14Å |
| 1761 | S | 77.4 | Confident | 73.5 | Confident | 6.2 Ų | 6.2 | 67.5 Ų | 67.5 | 4% | 0.043 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -94.7 | -6.7 | -175.6 | 56.1 | 0 | 0 | 0 | 0 | 113.3 | Y1746 L1747 V1756 D1757 E1758 F1763 F1811 N1812 | Y1746-S1761 CarbonylContact C-O 3.53Å; Y1746-S1761 VanDerWaalsContact CA-O 3.27Å; Y1746-S1761 WeakPolarHBondContact CA-O 3.3Å; Y1746-S1761 WeakPolarHBondContact CB-O 3.34Å; L1747-S1761 PolarHBondContact N-O 3.23Å; L1747-S1761 WeakPolarHBondContact O-CB 3.29Å; L1747-S1761 PolarHBondContact O-N 2.88Å; L1747-S1761 PolarHBondContact O-OG 2.97Å; V1756-S1761 VanDerWaalsContact CG1-OG 3.28Å; V1756-S1761 WeakPolarHBondContact CG1-OG 3.3Å; D1757-S1761 VanDerWaalsContact C-OG 3.26Å; D1757-S1761 WeakPolarHBondContact O-CB 3.34Å; D1757-S1761 PolarHBondContact O-N 2.94Å; D1757-S1761 VanDerWaalsContact O-N 3.07Å; D1757-S1761 PolarHBondContact O-OG 3.28Å; E1758-S1761 WeakPolarHBondContact CA-OG 3.39Å; S1761-F1763 PolarHBondContact O-N 3.12Å; S1761-F1811 WeakPolarHBondContact OG-CE1 3.06Å; S1761-N1812 WeakPolarHBondContact CB-OD1 2.99Å; S1761-N1812 PolarHBondContact OG-OD1 2.97Å; S1761-N1812 VanDerWaalsContact OG-OD1 3.06Å |
| 1762 | F | 85 | Confident | 74.9 | Confident | 31.6 Ų | 31.6 | 67 Ų | 67 | 14% | 0.139 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 128.8 | 179.2 | -179.6 | -91.7 | 0 | 0 | 0 | 111.3 | D1744 Y1746 E1758 G1765 K1805 I1807 N1812 L2116 D2117 W2121 | D1744-F1762 HydrophobicContact CB-CE2 4.22Å; Y1746-F1762 HydrophobicContact CD1-CB 4.06Å; Y1746-F1762 HydrophobicContact CD1-CD2 4.35Å; Y1746-F1762 HydrophobicContact CE1-CB 4.07Å; Y1746-F1762 AromaticContact CE1-CD2 3.86Å; Y1746-F1762 HydrophobicContact CE1-CD2 3.86Å; Y1746-F1762 HydrophobicContact CE1-CG 4.42Å; E1758-F1762 VanDerWaalsContact O-CB 3.27Å; E1758-F1762 WeakPolarHBondContact O-CB 3.23Å; E1758-F1762 PolarHBondContact O-N 2.99Å; E1758-F1762 VanDerWaalsContact O-N 3.12Å; F1762-G1765 VanDerWaalsContact CZ-N 3.29Å; F1762-K1805 WeakPolarHBondContact CE1-O 3.09Å; F1762-I1807 HydrophobicContact CD1-CB 4.41Å; F1762-I1807 HydrophobicContact CD1-CD1 3.71Å; F1762-I1807 HydrophobicContact CD1-CG1 3.87Å; F1762-I1807 HydrophobicContact CE1-CD1 4.23Å; F1762-I1807 HydrophobicContact CE1-CG1 4.1Å; F1762-N1812 PolarHBondContact O-ND2 3.12Å; F1762-L2116 HydrophobicContact CB-CD1 3.77Å; F1762-L2116 HydrophobicContact CB-CG 4.33Å; F1762-L2116 HydrophobicContact CD1-CG 4.37Å; F1762-L2116 HydrophobicContact CD2-CD1 3.94Å; F1762-L2116 HydrophobicContact CD2-CG 4.49Å; F1762-L2116 HydrophobicContact CG-CD1 3.82Å; F1762-L2116 HydrophobicContact CG-CD2 4.47Å; F1762-L2116 HydrophobicContact CG-CG 4.14Å; F1762-D2117 PolarHBondContact N-OD2 3.26Å; F1762-W2121 HydrophobicContact CE1-CZ2 4.27Å |
| 1763 | F | 87.8 | Confident | 76.2 | Confident | 46.8 Ų | 46.8 | 64.8 Ų | 64.8 | 21% | 0.205 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | -54.8 | -176.4 | 173.8 | -125.8 | 0 | 0 | 0 | 112 | C1745 L1747 S1761 A1806 I1807 W1808 N1812 | C1745-F1763 WeakPolarHBondContact O-CA 3.45Å; C1745-F1763 WeakPolarHBondContact O-CB 3.36Å; C1745-F1763 PolarHBondContact O-N 3.04Å; L1747-F1763 HydrophobicContact CD1-CB 3.89Å; L1747-F1763 HydrophobicContact CD1-CD1 4.1Å; L1747-F1763 HydrophobicContact CD1-CD2 3.77Å; L1747-F1763 HydrophobicContact CD1-CE1 4.48Å; L1747-F1763 HydrophobicContact CD1-CE2 4.15Å; L1747-F1763 HydrophobicContact CD1-CG 3.65Å; L1747-F1763 HydrophobicContact CD2-CD1 4.23Å; L1747-F1763 HydrophobicContact CG-CB 3.78Å; L1747-F1763 HydrophobicContact CG-CD1 4.15Å; L1747-F1763 HydrophobicContact CG-CD2 4.38Å; L1747-F1763 HydrophobicContact CG-CG 3.91Å; S1761-F1763 PolarHBondContact O-N 3.12Å; F1763-A1806 CarbonylContact O-C 3.55Å; F1763-A1806 VanDerWaalsContact O-CA 3.28Å; F1763-A1806 WeakPolarHBondContact O-CA 3.34Å; F1763-I1807 PolarHBondContact O-N 3.07Å; F1763-W1808 HydrophobicContact CD2-CE3 4.27Å; F1763-W1808 HydrophobicContact CD2-CZ3 4.36Å; F1763-W1808 AromaticContact CE2-CE3 3.67Å; F1763-W1808 HydrophobicContact CE2-CE3 3.67Å; F1763-W1808 AromaticContact CE2-CZ3 3.54Å; F1763-W1808 HydrophobicContact CE2-CZ3 3.54Å; F1763-W1808 VanDerWaalsContact CE2-CZ3 3.45Å; F1763-W1808 HydrophobicContact CZ-CE3 4.38Å; F1763-W1808 AromaticContact CZ-CZ3 3.89Å; F1763-W1808 HydrophobicContact CZ-CZ3 4.02Å; F1763-N1812 HydrophobicContact CD2-CB 4.24Å |
| 1764 | V | 90.3 | Very high | 77 | Confident | 28.6 Ų | 28.6 | 63.2 Ų | 63.2 | 17% | 0.173 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 128.6 | -178.5 | 177.1 | 0 | 0 | 0 | 0 | 110.3 | D1744 C1745 I1766 V1804 K1805 A1806 | D1744-V1764 CarbonylContact C-O 3.54Å; C1745-V1764 HydrophobicContact CB-CB 4.31Å; C1745-V1764 WeakPolarHBondContact CB-O 3.29Å; C1745-V1764 PolarHBondContact N-O 3.26Å; C1745-V1764 PolarHBondContact O-N 2.99Å; C1745-V1764 VanDerWaalsContact O-N 3.14Å; V1764-I1766 HydrophobicContact CG1-CD1 4.17Å; V1764-I1766 HydrophobicContact CG1-CG1 3.96Å; V1764-V1804 HydrophobicContact CG1-CG1 4.29Å; V1764-K1805 CarbonylContact C-O 3.54Å; V1764-K1805 WeakPolarHBondContact CA-O 3.43Å; V1764-A1806 HydrophobicContact CG2-CB 3.94Å |
| 1765 | G | 90 | Very high | 77.3 | Confident | 4.8 Ų | 4.8 | 60 Ų | 60 | 5% | 0.049 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 140.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111 | V1743 D1744 F1762 K1805 | V1743-G1765 CarbonylContact O-C 3.54Å; V1743-G1765 VanDerWaalsContact O-CA 3.29Å; V1743-G1765 WeakPolarHBondContact O-CA 3.3Å; D1744-G1765 VanDerWaalsContact OD1-CA 3.24Å; D1744-G1765 WeakPolarHBondContact OD1-CA 3.19Å; F1762-G1765 VanDerWaalsContact CZ-N 3.29Å; G1765-K1805 PolarHBondContact N-O 3.07Å; G1765-K1805 PolarHBondContact O-N 2.92Å |
| 1766 | I | 91.1 | Very high | 77.2 | Confident | 27.6 Ų | 27.6 | 58.3 Ų | 58.3 | 14% | 0.142 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 120.3 | -177.4 | -63.1 | 166.4 | 0 | 0 | 0 | 108.5 | H1742 V1743 V1764 L1769 V1801 V1804 | H1742-I1766 CarbonylContact C-O 3.53Å; H1742-I1766 VanDerWaalsContact CA-O 3.28Å; H1742-I1766 WeakPolarHBondContact CA-O 3.29Å; H1742-I1766 PolarHBondContact N-O 3.48Å; V1743-I1766 HydrophobicContact CB-CB 4.24Å; V1743-I1766 PolarHBondContact N-O 3.05Å; V1743-I1766 PolarHBondContact O-N 3.08Å; V1764-I1766 HydrophobicContact CG1-CD1 4.17Å; V1764-I1766 HydrophobicContact CG1-CG1 3.96Å; I1766-L1769 HydrophobicContact CD1-CD1 4.26Å; I1766-L1769 HydrophobicContact CG2-CB 4.12Å; I1766-V1801 HydrophobicContact CB-CG1 4.33Å; I1766-V1801 HydrophobicContact CD1-CG1 3.83Å; I1766-V1801 HydrophobicContact CG1-CG1 3.91Å; I1766-V1801 HydrophobicContact CG2-CG1 3.48Å; I1766-V1801 VanDerWaalsContact CG2-CG1 3.44Å; I1766-V1804 HydrophobicContact CG1-CG2 4.45Å |
| 1767 | D | 89.7 | Confident | 76.7 | Confident | 56 Ų | 56 | 60.5 Ų | 60.5 | 30% | 0.299 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | -42.8 | 178.8 | -160.2 | 27.6 | 0 | 0 | 0 | 111.9 | S1741 H1742 R1802 N1803 | S1741-D1767 CarbonylContact C-O 3.51Å; S1741-D1767 WeakPolarHBondContact CA-O 3.33Å; H1742-D1767 IonicContact CE1-OD1 3.2Å; H1742-D1767 PolarHBondContact CE1-OD1 3.01Å; H1742-D1767 PolarHBondContact N-O 3.26Å; H1742-D1767 IonicContact ND1-OD1 3.05Å; H1742-D1767 PolarHBondContact ND1-OD1 3.17Å; H1742-D1767 VanDerWaalsContact ND1-OD1 3.12Å; H1742-D1767 IonicContact NE2-OD1 3.42Å; D1767-R1802 PolarHBondContact N-O 2.88Å; D1767-N1803 HydrophobicContact CB-CB 3.69Å; D1767-N1803 PolarHBondContact OD2-ND2 2.91Å |
| 1768 | R | 90.8 | Very high | 75.9 | Confident | 100.6 Ų | 100.6 | 62.7 Ų | 62.7 | 38% | 0.38 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 127.2 | 178 | -175.4 | 174.7 | 169.2 | 177.9 | -4 | 112 | M1740 T1770 R1802 | M1740-R1768 CarbonylContact O-C 3.46Å; M1740-R1768 WeakPolarHBondContact O-CA 3.41Å; R1768-T1770 HydrophobicContact CG-CG2 4.33Å; R1768-R1802 HydrophobicContact CB-CB 4.39Å; R1768-R1802 PolarHBondContact N-O 3.02Å; R1768-R1802 PolarHBondContact O-N 2.97Å |
| 1769 | L | 92.1 | Very high | 75.1 | Confident | 38 Ų | 38 | 63.2 Ų | 63.2 | 20% | 0.199 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 127.5 | 173.4 | 177.1 | 77 | 0 | 0 | 0 | 109 | R1739 M1740 I1766 V1799 V1801 | R1739-L1769 CarbonylContact C-O 3.51Å; R1739-L1769 WeakPolarHBondContact CA-O 3.39Å; M1740-L1769 HydrophobicContact CB-CB 4.21Å; M1740-L1769 HydrophobicContact CB-CD2 4.34Å; M1740-L1769 HydrophobicContact CG-CD2 4.34Å; M1740-L1769 PolarHBondContact N-O 3.07Å; M1740-L1769 PolarHBondContact O-N 3.02Å; M1740-L1769 HydrophobicContact SD-CD2 3.88Å; I1766-L1769 HydrophobicContact CD1-CD1 4.26Å; I1766-L1769 HydrophobicContact CG2-CB 4.12Å; L1769-V1799 HydrophobicContact CD1-CG1 3.87Å; L1769-V1801 HydrophobicContact CD1-CB 4.41Å; L1769-V1801 HydrophobicContact CD1-CG1 4.19Å; L1769-V1801 HydrophobicContact CD1-CG2 3.77Å |
| 1770 | T | 91 | Very high | 74.1 | Confident | 22 Ų | 22 | 57.9 Ų | 57.9 | 14% | 0.135 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 119.7 | 171.6 | 52.6 | 0 | 0 | 0 | 0 | 110.2 | A1738 R1739 R1768 V1799 V1800 | A1738-T1770 CarbonylContact O-C 3.56Å; A1738-T1770 WeakPolarHBondContact O-CA 3.34Å; R1739-T1770 HydrophobicContact CB-CG2 4.23Å; R1739-T1770 HydrophobicContact CG-CG2 3.91Å; R1768-T1770 HydrophobicContact CG-CG2 4.33Å; T1770-V1799 CarbonylContact O-C 3.55Å; T1770-V1799 WeakPolarHBondContact O-CA 3.29Å; T1770-V1800 PolarHBondContact N-O 3.03Å; T1770-V1800 PolarHBondContact O-N 2.99Å; T1770-V1800 WeakPolarHBondContact OG1-CB 3.23Å; T1770-V1800 PolarHBondContact OG1-O 3.3Å |
| 1771 | Y | 90.6 | Very high | 72.6 | Confident | 57.8 Ų | 57.8 | 57.4 Ų | 57.4 | 23% | 0.227 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 127.2 | 171.6 | 170.6 | -86 | 0 | 0 | 0 | 108.6 | L1736 N1737 A1738 R1773 H1797 H1798 V1799 | L1736-Y1771 HydrophobicContact CB-CE1 4.12Å; L1736-Y1771 HydrophobicContact CD2-CD1 4.37Å; L1736-Y1771 HydrophobicContact CD2-CE1 3.57Å; L1736-Y1771 VanDerWaalsContact CD2-CE1 3.49Å; L1736-Y1771 HydrophobicContact CG-CD1 4.27Å; L1736-Y1771 HydrophobicContact CG-CE1 3.72Å; L1736-Y1771 WeakPolarHBondContact O-CD1 3.32Å; L1736-Y1771 WeakPolarHBondContact O-CE1 3.43Å; N1737-Y1771 CarbonylContact C-O 3.57Å; N1737-Y1771 VanDerWaalsContact CA-O 3.27Å; N1737-Y1771 WeakPolarHBondContact CA-O 3.39Å; N1737-Y1771 PolarHBondContact OD1-O 2.85Å; A1738-Y1771 HydrophobicContact CB-CD1 4.23Å; A1738-Y1771 PolarHBondContact N-O 3.16Å; A1738-Y1771 PolarHBondContact O-N 2.96Å; Y1771-R1773 HydrophobicContact CE1-CB 3.92Å; Y1771-H1797 HydrophobicContact CE2-CB 4.21Å; Y1771-H1797 AromaticContact CE2-ND1 3.84Å; Y1771-H1797 AromaticContact CZ-ND1 3.68Å; Y1771-H1797 PolarHBondContact OH-CE1 2.92Å; Y1771-H1797 VanDerWaalsContact OH-CE1 3.29Å; Y1771-H1797 PolarHBondContact OH-ND1 2.91Å; Y1771-H1798 CarbonylContact C-O 3.57Å; Y1771-H1798 WeakPolarHBondContact CA-O 3.45Å; Y1771-V1799 HydrophobicContact CD2-CG2 3.71Å; Y1771-V1799 HydrophobicContact CE2-CG2 4.34Å |
| 1772 | C | 85.2 | Confident | 70.7 | Confident | 35.2 Ų | 35.2 | 60.1 Ų | 60.1 | 24% | 0.238 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 137.5 | 171.2 | -64.1 | 0 | 0 | 0 | 0 | 109.2 | L1736 H1798 | L1736-C1772 CarbonylContact O-C 3.53Å; L1736-C1772 WeakPolarHBondContact O-CA 3.27Å; C1772-H1798 PolarHBondContact N-O 2.98Å; C1772-H1798 PolarHBondContact O-N 3.06Å; C1772-H1798 VanDerWaalsContact O-O 3.08Å |
| 1773 | R | 79.4 | Confident | 68.7 | Low | 64 Ų | 64 | 62.7 Ų | 62.7 | 24% | 0.242 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 109 | 168.6 | 179.4 | -162.3 | -175 | 157.3 | 6.5 | 107.4 | F1735 L1736 Y1771 V1796 H1797 | F1735-R1773 CarbonylContact C-O 3.52Å; F1735-R1773 VanDerWaalsContact CA-O 3.28Å; F1735-R1773 WeakPolarHBondContact CA-O 3.35Å; L1736-R1773 HydrophobicContact CB-CB 4.15Å; L1736-R1773 PolarHBondContact N-O 3.01Å; L1736-R1773 VanDerWaalsContact N-O 3.11Å; L1736-R1773 PolarHBondContact O-N 3.06Å; Y1771-R1773 HydrophobicContact CE1-CB 3.92Å; R1773-V1796 VanDerWaalsContact CA-O 3.25Å; R1773-V1796 WeakPolarHBondContact CA-O 3.33Å; R1773-V1796 HydrophobicContact CG-CG1 4.45Å; R1773-V1796 VanDerWaalsContact CG-O 3.24Å; R1773-V1796 WeakPolarHBondContact CG-O 3.36Å; R1773-H1797 PolarHBondContact NE-CE1 3.1Å |
| 1774 | D | 65.7 | Low | 66.3 | Low | 98.6 Ų | 98.6 | 68.7 Ų | 68.7 | 53% | 0.527 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 145.4 | 174.6 | -67.1 | -38.4 | 0 | 0 | 0 | 110 | F1735 | F1735-D1774 WeakPolarHBondContact CB-OD1 3.25Å |
| 1775 | L | 58.4 | Low | 63.7 | Low | 49.2 Ų | 49.2 | 72.3 Ų | 72.3 | 26% | 0.258 | 38% | 0.384 | S | S | . | . | trans | -105.9 | 131.5 | 178.2 | -107.6 | 173.3 | 0 | 0 | 0 | 111.2 | R1732 T1733 T1734 D1777 V1796 W1922 | R1732-L1775 HydrophobicContact CG-CD1 4.04Å; T1733-L1775 VanDerWaalsContact O-CD1 3.3Å; T1733-L1775 WeakPolarHBondContact O-CD1 3.38Å; T1733-L1775 WeakPolarHBondContact O-CG 3.36Å; T1734-L1775 VanDerWaalsContact CA-CD1 3.44Å; T1734-L1775 HydrophobicContact CG2-CD1 4.07Å; T1734-L1775 WeakPolarHBondContact O-CB 3.26Å; T1734-L1775 WeakPolarHBondContact O-CD1 3.38Å; T1734-L1775 VanDerWaalsContact O-CG 3.27Å; T1734-L1775 WeakPolarHBondContact O-CG 3.22Å; T1734-L1775 PolarHBondContact O-N 2.99Å; T1734-L1775 VanDerWaalsContact O-N 3.13Å; L1775-D1777 HydrophobicContact CD2-CB 3.67Å; L1775-D1777 VanDerWaalsContact CD2-CG 3.46Å; L1775-D1777 PolarHBondContact O-N 3.33Å; L1775-V1796 HydrophobicContact CD2-CG1 4.09Å; L1775-W1922 HydrophobicContact CD1-CE3 4.07Å; L1775-W1922 HydrophobicContact CD1-CH2 3.38Å; L1775-W1922 HydrophobicContact CD1-CZ2 3.89Å; L1775-W1922 HydrophobicContact CD1-CZ3 3.5Å; L1775-W1922 HydrophobicContact CD2-CE3 4.43Å; L1775-W1922 HydrophobicContact CD2-CZ3 4.26Å; L1775-W1922 HydrophobicContact CG-CE3 4.16Å; L1775-W1922 HydrophobicContact CG-CH2 3.88Å; L1775-W1922 HydrophobicContact CG-CZ3 3.54Å | ||
| 1776 | I | 50.6 | Low | 61.2 | Low | 51.6 Ų | 51.6 | 79.3 Ų | 79.3 | 27% | 0.265 | 42% | 0.419 | S | S | . | . | trans | -76.6 | 125.8 | 171.7 | -52.9 | 164.6 | 0 | 0 | 0 | 108.5 | R1732 F1778 G1780 V1794 V1796 T1937 | R1732-I1776 PolarHBondContact NH2-O 2.88Å; I1776-F1778 HydrophobicContact CB-CE2 4.41Å; I1776-F1778 HydrophobicContact CG2-CD2 4.01Å; I1776-F1778 HydrophobicContact CG2-CE1 4.25Å; I1776-F1778 HydrophobicContact CG2-CE2 3.5Å; I1776-F1778 HydrophobicContact CG2-CZ 3.65Å; I1776-G1780 VanDerWaalsContact CG2-CA 3.45Å; I1776-G1780 WeakPolarHBondContact CG2-O 3.21Å; I1776-V1794 HydrophobicContact CD1-CB 3.87Å; I1776-V1794 HydrophobicContact CD1-CG1 3.86Å; I1776-V1794 HydrophobicContact CG1-CG1 3.96Å; I1776-V1796 HydrophobicContact CD1-CG2 3.82Å; I1776-V1796 VanDerWaalsContact CD1-CG2 3.44Å; I1776-V1796 HydrophobicContact CG1-CG2 4.13Å; I1776-T1937 HydrophobicContact CD1-CG2 3.9Å; I1776-T1937 VanDerWaalsContact CD1-OG1 3.29Å; I1776-T1937 WeakPolarHBondContact CD1-OG1 3.42Å | ||
| 1777 | D | 43.8 | Very low | 58.4 | Low | 83.4 Ų | 83.4 | 84.7 Ų | 84.7 | 45% | 0.446 | 45% | 0.448 | S | S | . | . | trans | -71.5 | 155 | 178.3 | -123.5 | -10.7 | 0 | 0 | 0 | 111.5 | R1732 L1775 N1779 G1780 V1781 V1783 | R1732-D1777 IonicContact CZ-OD1 3.55Å; R1732-D1777 IonicContact CZ-OD2 3.21Å; R1732-D1777 VanDerWaalsContact NH1-CG 3.28Å; R1732-D1777 IonicContact NH1-OD1 3.95Å; R1732-D1777 PolarHBondContact NH1-OD1 3Å; R1732-D1777 VanDerWaalsContact NH1-OD1 3.12Å; R1732-D1777 IonicContact NH1-OD2 2.72Å; R1732-D1777 PolarHBondContact NH1-OD2 3.27Å; R1732-D1777 IonicContact NH2-OD1 2.67Å; R1732-D1777 PolarHBondContact NH2-OD1 3.26Å; R1732-D1777 IonicContact NH2-OD2 2.65Å; L1775-D1777 HydrophobicContact CD2-CB 3.67Å; L1775-D1777 VanDerWaalsContact CD2-CG 3.46Å; L1775-D1777 PolarHBondContact O-N 3.33Å; D1777-N1779 VanDerWaalsContact CG-ND2 3.33Å; D1777-N1779 PolarHBondContact O-N 2.99Å; D1777-N1779 PolarHBondContact OD1-ND2 3.34Å; D1777-N1779 VanDerWaalsContact OD1-ND2 3.15Å; D1777-G1780 PolarHBondContact O-N 3.04Å; D1777-V1781 WeakPolarHBondContact CA-O 3.27Å; D1777-V1781 WeakPolarHBondContact CB-O 3.33Å; D1777-V1781 PolarHBondContact N-O 3.19Å; D1777-V1781 VanDerWaalsContact N-O 3.11Å; D1777-V1783 HydrophobicContact CB-CG2 3.92Å; D1777-V1783 VanDerWaalsContact CG-CG2 3.47Å; D1777-V1783 WeakPolarHBondContact OD1-CG2 3.45Å; D1777-V1783 WeakPolarHBondContact OD2-CG2 3.09Å | ||
| 1778 | F | 43.9 | Very low | 55.8 | Low | 132.8 Ų | 132.8 | 86.5 Ų | 86.5 | 58% | 0.582 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -14.2 | -178.8 | -75.4 | -82.1 | 0 | 0 | 0 | 114.6 | H1713 R1732 I1776 G1780 W1922 | H1713-F1778 AromaticContact CE1-CE2 3.92Å; H1713-F1778 AromaticContact CE1-CZ 3.52Å; H1713-F1778 AromaticContact NE2-CZ 3.83Å; R1732-F1778 VanDerWaalsContact NH1-CE2 3.29Å; I1776-F1778 HydrophobicContact CB-CE2 4.41Å; I1776-F1778 HydrophobicContact CG2-CD2 4.01Å; I1776-F1778 HydrophobicContact CG2-CE1 4.25Å; I1776-F1778 HydrophobicContact CG2-CE2 3.5Å; I1776-F1778 HydrophobicContact CG2-CZ 3.65Å; F1778-G1780 VanDerWaalsContact C-N 3.26Å; F1778-G1780 PolarHBondContact O-N 3.07Å; F1778-W1922 HydrophobicContact CE1-CB 4.43Å; F1778-W1922 HydrophobicContact CE1-CE3 4.25Å |
| 1779 | N | 42.6 | Very low | 53.3 | Low | 141.6 Ų | 141.6 | 90.1 Ų | 90.1 | 76% | 0.757 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 19.7 | 179.3 | -71 | -8.1 | 0 | 0 | 0 | 113.7 | D1777 V1781 | D1777-N1779 VanDerWaalsContact CG-ND2 3.33Å; D1777-N1779 PolarHBondContact O-N 2.99Å; D1777-N1779 PolarHBondContact OD1-ND2 3.34Å; D1777-N1779 VanDerWaalsContact OD1-ND2 3.15Å; N1779-V1781 VanDerWaalsContact C-N 3.32Å; N1779-V1781 HydrophobicContact CB-CG2 4.4Å; N1779-V1781 PolarHBondContact O-N 3.39Å; N1779-V1781 VanDerWaalsContact O-N 3.15Å |
| 1780 | G | 41.5 | Very low | 50.7 | Low | 40.8 Ų | 40.8 | 92.6 Ų | 92.6 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | S | Bend | trans | 91.1 | 3.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | I1776 D1777 F1778 | I1776-G1780 VanDerWaalsContact CG2-CA 3.45Å; I1776-G1780 WeakPolarHBondContact CG2-O 3.21Å; D1777-G1780 PolarHBondContact O-N 3.04Å; F1778-G1780 VanDerWaalsContact C-N 3.26Å; F1778-G1780 PolarHBondContact O-N 3.07Å |
| 1781 | V | 38.6 | Very low | 48.2 | Very low | 87.2 Ų | 87.2 | 96.6 Ų | 96.6 | 53% | 0.528 | 53% | 0.528 | S | S | . | . | trans | -103.5 | 127.8 | -178.3 | -175.5 | 0 | 0 | 0 | 0 | 110.1 | D1777 N1779 V1783 | D1777-V1781 WeakPolarHBondContact CA-O 3.27Å; D1777-V1781 WeakPolarHBondContact CB-O 3.33Å; D1777-V1781 PolarHBondContact N-O 3.19Å; D1777-V1781 VanDerWaalsContact N-O 3.11Å; N1779-V1781 VanDerWaalsContact C-N 3.32Å; N1779-V1781 HydrophobicContact CB-CG2 4.4Å; N1779-V1781 PolarHBondContact O-N 3.39Å; N1779-V1781 VanDerWaalsContact O-N 3.15Å; V1781-V1783 VanDerWaalsContact C-N 3.32Å; V1781-V1783 HydrophobicContact CG1-CG2 4.29Å; V1781-V1783 PolarHBondContact O-N 2.89Å | ||
| 1782 | P | 37.2 | Very low | 45.9 | Very low | 63.2 Ų | 63.2 | 102.7 Ų | 102.7 | 41% | 0.41 | 56% | 0.558 | S | S | . | * | trans | -68.7 | 129.7 | 171.5 | 26.4 | -30.8 | 0 | 0 | 0 | 110.6 | F1784 L1788 V1794 | P1782-F1784 PolarHBondContact O-N 3.19Å; P1782-L1788 HydrophobicContact CB-CD1 4.06Å; P1782-L1788 HydrophobicContact CG-CD1 3.48Å; P1782-L1788 VanDerWaalsContact CG-CD1 3.48Å; P1782-L1788 HydrophobicContact CG-CD2 3.54Å; P1782-L1788 HydrophobicContact CG-CG 4.08Å; P1782-V1794 HydrophobicContact CG-CG1 4.24Å; P1782-V1794 HydrophobicContact CG-CG2 4.39Å | ||
| 1783 | V | 41.7 | Very low | 44.3 | Very low | 87.4 Ų | 87.4 | 104.3 Ų | 104.3 | 53% | 0.53 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -71 | 16.6 | -173.7 | -175.6 | 0 | 0 | 0 | 0 | 112.6 | D1777 V1781 P1785 L1787 L1788 | D1777-V1783 HydrophobicContact CB-CG2 3.92Å; D1777-V1783 VanDerWaalsContact CG-CG2 3.47Å; D1777-V1783 WeakPolarHBondContact OD1-CG2 3.45Å; D1777-V1783 WeakPolarHBondContact OD2-CG2 3.09Å; V1781-V1783 VanDerWaalsContact C-N 3.32Å; V1781-V1783 HydrophobicContact CG1-CG2 4.29Å; V1781-V1783 PolarHBondContact O-N 2.89Å; V1783-P1785 WeakPolarHBondContact O-CD 3.36Å; V1783-L1787 HydrophobicContact CG1-CB 4.22Å; V1783-L1787 HydrophobicContact CG1-CD2 4.37Å; V1783-L1788 HydrophobicContact CG1-CD1 4.29Å |
| 1784 | F | 37.7 | Very low | 43 | Very low | 171.4 Ų | 171.4 | 104.2 Ų | 104.2 | 75% | 0.752 | 57% | 0.571 | S | S | * | * | trans | -107.9 | 100.4 | 173 | -78 | -83 | 0 | 0 | 0 | 110.9 | P1782 I1786 L1787 | P1782-F1784 PolarHBondContact O-N 3.19Å; F1784-I1786 VanDerWaalsContact C-N 3.33Å; F1784-I1786 PolarHBondContact O-N 3.01Å; F1784-L1787 PolarHBondContact O-N 2.67Å | ||
| 1785 | P | 35.7 | Very low | 42.7 | Very low | 105 Ų | 105 | 100.8 Ų | 100.8 | 68% | 0.682 | 55% | 0.554 | S | S | * | * | trans | -74.8 | -4.6 | -173.9 | -7.7 | 19 | 0 | 0 | 0 | 115.3 | V1783 L1787 L1788 | V1783-P1785 WeakPolarHBondContact O-CD 3.36Å; P1785-L1787 VanDerWaalsContact C-N 3.27Å; P1785-L1787 PolarHBondContact O-N 3.24Å; P1785-L1788 PolarHBondContact O-N 2.93Å; P1785-L1788 VanDerWaalsContact O-N 3.09Å | ||
| 1786 | I | 37.6 | Very low | 43.1 | Very low | 152.8 Ų | 152.8 | 99.4 Ų | 99.4 | 78% | 0.784 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -96.6 | -18.3 | -165.9 | -60.7 | 176.5 | 0 | 0 | 0 | 114.5 | F1784 L1788 | F1784-I1786 VanDerWaalsContact C-N 3.33Å; F1784-I1786 PolarHBondContact O-N 3.01Å; I1786-L1788 VanDerWaalsContact C-N 3.32Å |
| 1787 | L | 33.3 | Very low | 44.5 | Very low | 140.8 Ų | 140.8 | 98.4 Ų | 98.4 | 74% | 0.737 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -117 | 14.3 | 179.6 | -138.6 | 87.4 | 0 | 0 | 0 | 114.7 | V1783 F1784 P1785 L1789 A1790 I1791 | V1783-L1787 HydrophobicContact CG1-CB 4.22Å; V1783-L1787 HydrophobicContact CG1-CD2 4.37Å; F1784-L1787 PolarHBondContact O-N 2.67Å; P1785-L1787 VanDerWaalsContact C-N 3.27Å; P1785-L1787 PolarHBondContact O-N 3.24Å; L1787-L1789 VanDerWaalsContact C-N 3.35Å; L1787-L1789 PolarHBondContact O-N 3.01Å; L1787-A1790 WeakPolarHBondContact O-CB 3.47Å; L1787-A1790 PolarHBondContact O-N 2.68Å; L1787-I1791 HydrophobicContact CD2-CD1 3.75Å; L1787-I1791 HydrophobicContact CG-CD1 4.43Å; L1787-I1791 WeakPolarHBondContact O-CG1 3.47Å |
| 1788 | L | 35.3 | Very low | 46.4 | Very low | 92.8 Ų | 92.8 | 96.9 Ų | 96.9 | 49% | 0.486 | 53% | 0.532 | S | S | . | . | trans | -101.2 | 18.6 | -175.5 | -123.1 | 98.4 | 0 | 0 | 0 | 113.9 | P1782 V1783 P1785 I1786 A1790 I1791 V1794 L1935 | P1782-L1788 HydrophobicContact CB-CD1 4.06Å; P1782-L1788 HydrophobicContact CG-CD1 3.48Å; P1782-L1788 VanDerWaalsContact CG-CD1 3.48Å; P1782-L1788 HydrophobicContact CG-CD2 3.54Å; P1782-L1788 HydrophobicContact CG-CG 4.08Å; V1783-L1788 HydrophobicContact CG1-CD1 4.29Å; P1785-L1788 PolarHBondContact O-N 2.93Å; P1785-L1788 VanDerWaalsContact O-N 3.09Å; I1786-L1788 VanDerWaalsContact C-N 3.32Å; L1788-A1790 VanDerWaalsContact C-N 3.25Å; L1788-A1790 PolarHBondContact O-N 2.95Å; L1788-I1791 HydrophobicContact CD2-CB 4.35Å; L1788-I1791 HydrophobicContact CD2-CD1 3.91Å; L1788-I1791 HydrophobicContact CD2-CG1 4.28Å; L1788-I1791 HydrophobicContact CG-CD1 4.38Å; L1788-I1791 PolarHBondContact O-N 2.87Å; L1788-V1794 HydrophobicContact CD1-CG2 4.09Å; L1788-L1935 HydrophobicContact CD1-CD2 3.53Å; L1788-L1935 HydrophobicContact CD2-CD2 3.68Å; L1788-L1935 HydrophobicContact CD2-CG 4.23Å; L1788-L1935 HydrophobicContact CG-CD2 4.24Å | ||
| 1789 | L | 36.9 | Very low | 48.5 | Very low | 176.6 Ų | 176.6 | 91.7 Ų | 91.7 | 93% | 0.925 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | 1.1 | 172.4 | -81.1 | 170 | 0 | 0 | 0 | 113.9 | L1787 | L1787-L1789 VanDerWaalsContact C-N 3.35Å; L1787-L1789 PolarHBondContact O-N 3.01Å |
| 1790 | A | 37.5 | Very low | 50.8 | Low | 90 Ų | 90 | 85.6 Ų | 85.6 | 74% | 0.744 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -128.6 | 8.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | L1787 L1788 | L1787-A1790 WeakPolarHBondContact O-CB 3.47Å; L1787-A1790 PolarHBondContact O-N 2.68Å; L1788-A1790 VanDerWaalsContact C-N 3.25Å; L1788-A1790 PolarHBondContact O-N 2.95Å |
| 1791 | I | 39.3 | Very low | 53.2 | Low | 105.4 Ų | 105.4 | 84.2 Ų | 84.2 | 54% | 0.541 | 46% | 0.462 | S | S | . | . | trans | -127.9 | 94.1 | 178.6 | -47.6 | 177.7 | 0 | 0 | 0 | 109.2 | L1787 L1788 D1793 V1794 | L1787-I1791 HydrophobicContact CD2-CD1 3.75Å; L1787-I1791 HydrophobicContact CG-CD1 4.43Å; L1787-I1791 WeakPolarHBondContact O-CG1 3.47Å; L1788-I1791 HydrophobicContact CD2-CB 4.35Å; L1788-I1791 HydrophobicContact CD2-CD1 3.91Å; L1788-I1791 HydrophobicContact CD2-CG1 4.28Å; L1788-I1791 HydrophobicContact CG-CD1 4.38Å; L1788-I1791 PolarHBondContact O-N 2.87Å; I1791-D1793 VanDerWaalsContact CG2-O 3.25Å; I1791-D1793 WeakPolarHBondContact CG2-O 3.38Å; I1791-D1793 PolarHBondContact O-N 3.15Å; I1791-D1793 VanDerWaalsContact O-N 3.14Å; I1791-V1794 HydrophobicContact CB-CG2 4.24Å; I1791-V1794 HydrophobicContact CG2-CG2 3.59Å; I1791-V1794 WeakPolarHBondContact O-CG2 3.37Å | ||
| 1792 | E | 42.9 | Very low | 55.6 | Low | 186 Ų | 186 | 85.3 Ų | 85.3 | 87% | 0.869 | 46% | 0.457 | S | S | * | . | trans | -69.6 | -4 | -177.4 | -65.5 | -177.9 | 136.4 | 0 | 0 | 114.1 | ||||
| 1793 | D | 49.8 | Very low | 58.1 | Low | 70.2 Ų | 70.2 | 83.4 Ų | 83.4 | 38% | 0.375 | 44% | 0.443 | S | S | . | . | trans | -124.3 | 82.3 | -171.5 | -78.4 | -45.5 | 0 | 0 | 0 | 113.6 | I1791 T1795 L1939 I1940 R1969 | I1791-D1793 VanDerWaalsContact CG2-O 3.25Å; I1791-D1793 WeakPolarHBondContact CG2-O 3.38Å; I1791-D1793 PolarHBondContact O-N 3.15Å; I1791-D1793 VanDerWaalsContact O-N 3.14Å; D1793-T1795 HydrophobicContact CB-CG2 4.45Å; D1793-T1795 PolarHBondContact O-N 2.97Å; D1793-T1795 VanDerWaalsContact O-N 3.08Å; D1793-L1939 HydrophobicContact CB-CD2 3.9Å; D1793-I1940 HydrophobicContact CB-CD1 4.24Å; D1793-R1969 VanDerWaalsContact CB-NH2 3.32Å; D1793-R1969 VanDerWaalsContact CG-NH2 3.27Å; D1793-R1969 IonicContact OD1-CZ 2.8Å; D1793-R1969 IonicContact OD1-NH1 2.65Å; D1793-R1969 IonicContact OD1-NH2 2.73Å; D1793-R1969 PolarHBondContact OD1-NH2 3.41Å; D1793-R1969 IonicContact OD2-CZ 3.14Å; D1793-R1969 IonicContact OD2-NH1 2.91Å; D1793-R1969 PolarHBondContact OD2-NH1 3.12Å; D1793-R1969 IonicContact OD2-NH2 3.19Å; D1793-R1969 PolarHBondContact OD2-NH2 3.07Å | ||
| 1794 | V | 52.5 | Low | 60.4 | Low | 60.4 Ų | 60.4 | 80 Ų | 80 | 37% | 0.366 | 42% | 0.422 | S | S | . | . | trans | -79.5 | 97.6 | 172.9 | -170.4 | 0 | 0 | 0 | 0 | 110.3 | I1776 P1782 L1788 I1791 W1922 T1937 | I1776-V1794 HydrophobicContact CD1-CB 3.87Å; I1776-V1794 HydrophobicContact CD1-CG1 3.86Å; I1776-V1794 HydrophobicContact CG1-CG1 3.96Å; P1782-V1794 HydrophobicContact CG-CG1 4.24Å; P1782-V1794 HydrophobicContact CG-CG2 4.39Å; L1788-V1794 HydrophobicContact CD1-CG2 4.09Å; I1791-V1794 HydrophobicContact CB-CG2 4.24Å; I1791-V1794 HydrophobicContact CG2-CG2 3.59Å; I1791-V1794 WeakPolarHBondContact O-CG2 3.37Å; V1794-W1922 HydrophobicContact CG2-CH2 4.23Å; V1794-T1937 HydrophobicContact CB-CG2 3.86Å; V1794-T1937 HydrophobicContact CG1-CG2 4.42Å; V1794-T1937 HydrophobicContact CG2-CG2 4.11Å | ||
| 1795 | T | 59.2 | Low | 62.9 | Low | 28 Ų | 28 | 75.2 Ų | 75.2 | 17% | 0.172 | 40% | 0.401 | C | S | . | . | trans | -92.3 | 136.1 | 179.4 | 62 | 0 | 0 | 0 | 0 | 111.6 | D1793 L1939 I1940 A1942 | D1793-T1795 HydrophobicContact CB-CG2 4.45Å; D1793-T1795 PolarHBondContact O-N 2.97Å; D1793-T1795 VanDerWaalsContact O-N 3.08Å; T1795-L1939 HydrophobicContact CG2-CB 4.19Å; T1795-L1939 HydrophobicContact CG2-CD2 3.72Å; T1795-L1939 HydrophobicContact CG2-CG 4.02Å; T1795-I1940 WeakPolarHBondContact CA-O 3.41Å; T1795-I1940 WeakPolarHBondContact CB-O 3.39Å; T1795-I1940 HydrophobicContact CG2-CB 4.02Å; T1795-I1940 HydrophobicContact CG2-CG2 3.7Å; T1795-A1942 HydrophobicContact CG2-CB 3.57Å; T1795-A1942 VanDerWaalsContact CG2-CB 3.45Å | ||
| 1796 | V | 67.6 | Low | 65.5 | Low | 20.6 Ų | 20.6 | 70.8 Ų | 70.8 | 13% | 0.125 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -77.6 | -32.3 | 178.2 | 177.6 | 0 | 0 | 0 | 0 | 111.4 | R1773 L1775 I1776 P1938 L1939 I1940 | R1773-V1796 VanDerWaalsContact CA-O 3.25Å; R1773-V1796 WeakPolarHBondContact CA-O 3.33Å; R1773-V1796 HydrophobicContact CG-CG1 4.45Å; R1773-V1796 VanDerWaalsContact CG-O 3.24Å; R1773-V1796 WeakPolarHBondContact CG-O 3.36Å; L1775-V1796 HydrophobicContact CD2-CG1 4.09Å; I1776-V1796 HydrophobicContact CD1-CG2 3.82Å; I1776-V1796 VanDerWaalsContact CD1-CG2 3.44Å; I1776-V1796 HydrophobicContact CG1-CG2 4.13Å; V1796-P1938 HydrophobicContact CG2-CB 3.73Å; V1796-L1939 HydrophobicContact CB-CD1 3.69Å; V1796-L1939 HydrophobicContact CB-CG 4.23Å; V1796-L1939 HydrophobicContact CG1-CD1 3.81Å; V1796-L1939 HydrophobicContact CG2-CD1 3.7Å; V1796-L1939 VanDerWaalsContact CG2-CD1 3.47Å; V1796-L1939 PolarHBondContact N-O 3.14Å; V1796-I1940 PolarHBondContact N-O 3.07Å |
| 1797 | H | 79.2 | Confident | 67.9 | Low | 30.8 Ų | 30.8 | 64.5 Ų | 64.5 | 14% | 0.143 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 114.9 | 176.8 | -67 | -73.3 | 0 | 0 | 0 | 108.9 | Y1771 R1773 I1940 I1941 A1942 | Y1771-H1797 HydrophobicContact CE2-CB 4.21Å; Y1771-H1797 AromaticContact CE2-ND1 3.84Å; Y1771-H1797 AromaticContact CZ-ND1 3.68Å; Y1771-H1797 PolarHBondContact OH-CE1 2.92Å; Y1771-H1797 VanDerWaalsContact OH-CE1 3.29Å; Y1771-H1797 PolarHBondContact OH-ND1 2.91Å; R1773-H1797 PolarHBondContact NE-CE1 3.1Å; H1797-I1940 WeakPolarHBondContact CB-O 3.49Å; H1797-I1940 PolarHBondContact CD2-O 2.95Å; H1797-I1940 PolarHBondContact N-O 2.76Å; H1797-I1941 HydrophobicContact CB-CB 4.27Å; H1797-I1941 HydrophobicContact CB-CG1 4.05Å; H1797-I1941 HydrophobicContact CB-CG2 4.02Å; H1797-I1941 CarbonylContact O-C 3.56Å; H1797-I1941 WeakPolarHBondContact O-CA 3.3Å; H1797-A1942 PolarHBondContact O-N 3.23Å |
| 1798 | H | 83.7 | Confident | 70.6 | Confident | 50.8 Ų | 50.8 | 61.5 Ų | 61.5 | 24% | 0.235 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 122.7 | 178.9 | -169.8 | -124 | 0 | 0 | 0 | 109.9 | Y1771 C1772 V1800 A1942 E1944 | Y1771-H1798 CarbonylContact C-O 3.57Å; Y1771-H1798 WeakPolarHBondContact CA-O 3.45Å; C1772-H1798 PolarHBondContact N-O 2.98Å; C1772-H1798 PolarHBondContact O-N 3.06Å; C1772-H1798 VanDerWaalsContact O-O 3.08Å; H1798-V1800 WeakPolarHBondContact CE1-CG2 3.42Å; H1798-A1942 CarbonylContact C-O 3.58Å; H1798-A1942 WeakPolarHBondContact CA-O 3.3Å; H1798-E1944 IonicContact CD2-OE1 3.18Å; H1798-E1944 IonicContact CE1-OE1 3.67Å; H1798-E1944 IonicContact CE1-OE2 3.62Å; H1798-E1944 PolarHBondContact CE1-OE2 3.25Å; H1798-E1944 WeakPolarHBondContact NE2-CG 3.26Å; H1798-E1944 IonicContact NE2-OE1 3.43Å; H1798-E1944 PolarHBondContact NE2-OE1 2.81Å; H1798-E1944 IonicContact NE2-OE2 3.32Å; H1798-E1944 PolarHBondContact NE2-OE2 2.88Å |
| 1799 | V | 89.2 | Confident | 73 | Confident | 24.4 Ų | 24.4 | 58.1 Ų | 58.1 | 15% | 0.148 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 117.7 | 178.8 | -175 | 0 | 0 | 0 | 0 | 108.5 | L1769 T1770 Y1771 V1801 A1942 V1943 E1944 | L1769-V1799 HydrophobicContact CD1-CG1 3.87Å; T1770-V1799 CarbonylContact O-C 3.55Å; T1770-V1799 WeakPolarHBondContact O-CA 3.29Å; Y1771-V1799 HydrophobicContact CD2-CG2 3.71Å; Y1771-V1799 HydrophobicContact CE2-CG2 4.34Å; V1799-V1801 HydrophobicContact CG1-CG2 4.01Å; V1799-A1942 PolarHBondContact N-O 3.12Å; V1799-V1943 HydrophobicContact CB-CB 4.42Å; V1799-V1943 HydrophobicContact CB-CG1 4.17Å; V1799-V1943 HydrophobicContact CB-CG2 4.17Å; V1799-V1943 HydrophobicContact CG1-CG1 4.29Å; V1799-V1943 HydrophobicContact CG2-CG2 4.38Å; V1799-V1943 CarbonylContact O-C 3.58Å; V1799-V1943 VanDerWaalsContact O-CA 3.27Å; V1799-V1943 WeakPolarHBondContact O-CA 3.38Å; V1799-E1944 PolarHBondContact O-N 3.06Å |
| 1800 | V | 89.8 | Confident | 75.2 | Confident | 13.4 Ų | 13.4 | 51.8 Ų | 51.8 | 8% | 0.081 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 124.6 | 173.4 | -171.6 | 0 | 0 | 0 | 0 | 108.8 | T1770 H1798 R1802 E1944 I1946 | T1770-V1800 PolarHBondContact N-O 3.03Å; T1770-V1800 PolarHBondContact O-N 2.99Å; T1770-V1800 WeakPolarHBondContact OG1-CB 3.23Å; T1770-V1800 PolarHBondContact OG1-O 3.3Å; H1798-V1800 WeakPolarHBondContact CE1-CG2 3.42Å; V1800-R1802 HydrophobicContact CG1-CG 4.27Å; V1800-E1944 CarbonylContact C-O 3.55Å; V1800-E1944 WeakPolarHBondContact CA-O 3.29Å; V1800-E1944 HydrophobicContact CG1-CB 4.3Å; V1800-E1944 HydrophobicContact CG2-CB 4.32Å; V1800-E1944 WeakPolarHBondContact CG2-OE2 3.41Å; V1800-I1946 HydrophobicContact CG1-CD1 3.77Å; V1800-I1946 HydrophobicContact CG1-CG1 4.35Å |
| 1801 | V | 91.4 | Very high | 77.4 | Confident | 10.5 Ų | 10.5 | 51.4 Ų | 51.4 | 6% | 0.064 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 122.4 | 179.2 | -156.1 | 0 | 0 | 0 | 0 | 108 | I1766 L1769 V1799 V1804 V1943 E1944 L1945 I1946 | I1766-V1801 HydrophobicContact CB-CG1 4.33Å; I1766-V1801 HydrophobicContact CD1-CG1 3.83Å; I1766-V1801 HydrophobicContact CG1-CG1 3.91Å; I1766-V1801 HydrophobicContact CG2-CG1 3.48Å; I1766-V1801 VanDerWaalsContact CG2-CG1 3.44Å; L1769-V1801 HydrophobicContact CD1-CB 4.41Å; L1769-V1801 HydrophobicContact CD1-CG1 4.19Å; L1769-V1801 HydrophobicContact CD1-CG2 3.77Å; V1799-V1801 HydrophobicContact CG1-CG2 4.01Å; V1801-V1804 HydrophobicContact CB-CG2 3.95Å; V1801-V1804 HydrophobicContact CG1-CG2 3.43Å; V1801-V1804 VanDerWaalsContact CG1-CG2 3.48Å; V1801-V1943 HydrophobicContact CG2-CG1 4.15Å; V1801-E1944 PolarHBondContact N-O 3.13Å; V1801-L1945 HydrophobicContact CB-CD2 3.79Å; V1801-L1945 HydrophobicContact CG2-CD2 3.69Å; V1801-L1945 WeakPolarHBondContact O-CA 3.32Å; V1801-I1946 PolarHBondContact O-N 2.87Å |
| 1802 | R | 90 | Very high | 79.6 | Confident | 111.5 Ų | 111.5 | 46.4 Ų | 46.4 | 42% | 0.421 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 139.6 | -178.4 | -58.6 | -167.9 | 174.3 | -165.9 | -5.5 | 111.4 | D1767 R1768 V1800 I1946 | D1767-R1802 PolarHBondContact N-O 2.88Å; R1768-R1802 HydrophobicContact CB-CB 4.39Å; R1768-R1802 PolarHBondContact N-O 3.02Å; R1768-R1802 PolarHBondContact O-N 2.97Å; V1800-R1802 HydrophobicContact CG1-CG 4.27Å; R1802-I1946 CarbonylContact C-O 3.52Å; R1802-I1946 WeakPolarHBondContact CA-O 3.21Å; R1802-I1946 HydrophobicContact CG-CB 4.24Å; R1802-I1946 HydrophobicContact CG-CD1 4.21Å |
| 1803 | N | 89.6 | Confident | 81.7 | Confident | 22.5 Ų | 22.5 | 39.3 Ų | 39.3 | 12% | 0.12 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 53.6 | 57.8 | 177.7 | -46.7 | -47.1 | 0 | 0 | 0 | 111.7 | D1767 K1805 I1946 S1947 K2124 | D1767-N1803 HydrophobicContact CB-CB 3.69Å; D1767-N1803 PolarHBondContact OD2-ND2 2.91Å; N1803-K1805 PolarHBondContact O-N 3.1Å; N1803-I1946 PolarHBondContact N-O 3.13Å; N1803-S1947 VanDerWaalsContact CA-O 3.28Å; N1803-S1947 WeakPolarHBondContact CA-O 3.44Å; N1803-S1947 WeakPolarHBondContact OD1-CB 3.27Å; N1803-K2124 VanDerWaalsContact ND2-CE 3.33Å; N1803-K2124 WeakPolarHBondContact ND2-CE 3.3Å; N1803-K2124 PolarHBondContact ND2-NZ 3.08Å; N1803-K2124 VanDerWaalsContact ND2-NZ 3.15Å; N1803-K2124 VanDerWaalsContact OD1-CE 3.26Å; N1803-K2124 WeakPolarHBondContact OD1-CE 3.34Å |
| 1804 | V | 90.1 | Very high | 83.3 | Confident | 15.5 Ų | 15.5 | 39.4 Ų | 39.4 | 9% | 0.094 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 126.2 | 175.8 | -177.7 | 0 | 0 | 0 | 0 | 108.8 | V1764 I1766 V1801 L1945 S1947 M1948 Q1949 | V1764-V1804 HydrophobicContact CG1-CG1 4.29Å; I1766-V1804 HydrophobicContact CG1-CG2 4.45Å; V1801-V1804 HydrophobicContact CB-CG2 3.95Å; V1801-V1804 HydrophobicContact CG1-CG2 3.43Å; V1801-V1804 VanDerWaalsContact CG1-CG2 3.48Å; V1804-L1945 HydrophobicContact CG2-CD2 4.38Å; V1804-S1947 PolarHBondContact N-O 2.87Å; V1804-M1948 HydrophobicContact CB-CB 4.39Å; V1804-M1948 HydrophobicContact CB-CG 4.34Å; V1804-M1948 CarbonylContact O-C 3.52Å; V1804-Q1949 PolarHBondContact O-N 3.15Å |
| 1805 | K | 89.9 | Confident | 84.9 | Confident | 70.75 Ų | 70.75 | 36.7 Ų | 36.7 | 31% | 0.308 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 108.9 | 174.6 | -69.4 | -177.3 | 175.2 | -171.2 | 0 | 109 | F1762 V1764 G1765 N1803 Q1949 W2121 | F1762-K1805 WeakPolarHBondContact CE1-O 3.09Å; V1764-K1805 CarbonylContact C-O 3.54Å; V1764-K1805 WeakPolarHBondContact CA-O 3.43Å; G1765-K1805 PolarHBondContact N-O 3.07Å; G1765-K1805 PolarHBondContact O-N 2.92Å; N1803-K1805 PolarHBondContact O-N 3.1Å; K1805-Q1949 CarbonylContact C-O 3.53Å; K1805-Q1949 VanDerWaalsContact CA-O 3.31Å; K1805-Q1949 WeakPolarHBondContact CA-O 3.37Å; K1805-W2121 HydrophobicContact CB-CD2 4.34Å; K1805-W2121 HydrophobicContact CB-CE3 4.13Å; K1805-W2121 HydrophobicContact CB-CH2 3.8Å; K1805-W2121 HydrophobicContact CB-CZ2 4.02Å; K1805-W2121 HydrophobicContact CB-CZ3 3.86Å; K1805-W2121 HydrophobicContact CD-CB 4.44Å; K1805-W2121 HydrophobicContact CD-CD2 3.77Å; K1805-W2121 HydrophobicContact CD-CE3 4.1Å; K1805-W2121 HydrophobicContact CD-CG 3.95Å; K1805-W2121 HydrophobicContact CG-CD2 4.08Å; K1805-W2121 HydrophobicContact CG-CE3 3.89Å; K1805-W2121 HydrophobicContact CG-CH2 4.44Å; K1805-W2121 HydrophobicContact CG-CZ3 4.1Å |
| 1806 | A | 90.3 | Very high | 86.2 | Confident | 14 Ų | 14 | 36.6 Ų | 36.6 | 12% | 0.116 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 145.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1763 V1764 Q1949 V1950 A1951 W2121 | F1763-A1806 CarbonylContact O-C 3.55Å; F1763-A1806 VanDerWaalsContact O-CA 3.28Å; F1763-A1806 WeakPolarHBondContact O-CA 3.34Å; V1764-A1806 HydrophobicContact CG2-CB 3.94Å; A1806-Q1949 PolarHBondContact N-O 3.21Å; A1806-V1950 HydrophobicContact CB-CG1 4.25Å; A1806-V1950 HydrophobicContact CB-CG2 4.19Å; A1806-V1950 CarbonylContact O-C 3.53Å; A1806-V1950 WeakPolarHBondContact O-CA 3.35Å; A1806-A1951 PolarHBondContact O-N 3.22Å; A1806-W2121 WeakPolarHBondContact O-CH2 3.37Å |
| 1807 | I | 89 | Confident | 87.1 | Confident | 20 Ų | 20 | 38.5 Ų | 38.5 | 10% | 0.103 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 119.7 | 173.5 | -53.4 | -176.8 | 0 | 0 | 0 | 109 | F1762 F1763 T1809 N1812 A1951 V2119 W2121 | F1762-I1807 HydrophobicContact CD1-CB 4.41Å; F1762-I1807 HydrophobicContact CD1-CD1 3.71Å; F1762-I1807 HydrophobicContact CD1-CG1 3.87Å; F1762-I1807 HydrophobicContact CE1-CD1 4.23Å; F1762-I1807 HydrophobicContact CE1-CG1 4.1Å; F1763-I1807 PolarHBondContact O-N 3.07Å; I1807-T1809 HydrophobicContact CG2-CG2 3.74Å; I1807-N1812 PolarHBondContact O-ND2 3.02Å; I1807-A1951 CarbonylContact C-O 3.58Å; I1807-A1951 WeakPolarHBondContact CA-O 3.32Å; I1807-A1951 HydrophobicContact CG1-CB 4.44Å; I1807-A1951 HydrophobicContact CG2-CB 4.38Å; I1807-V2119 HydrophobicContact CD1-CG2 4.17Å; I1807-V2119 HydrophobicContact CG1-CG2 4.45Å; I1807-W2121 HydrophobicContact CD1-CZ2 4.04Å; I1807-W2121 HydrophobicContact CG1-CH2 3.89Å; I1807-W2121 HydrophobicContact CG1-CZ2 3.84Å |
| 1808 | W | 89.1 | Confident | 87.3 | Confident | 77 Ų | 77 | 40 Ų | 40 | 29% | 0.292 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 98.5 | 175.6 | -162.4 | -109.9 | 0 | 0 | 0 | 109.9 | F1763 N1812 R1813 A1816 A1951 L1952 K1953 | F1763-W1808 HydrophobicContact CD2-CE3 4.27Å; F1763-W1808 HydrophobicContact CD2-CZ3 4.36Å; F1763-W1808 AromaticContact CE2-CE3 3.67Å; F1763-W1808 HydrophobicContact CE2-CE3 3.67Å; F1763-W1808 AromaticContact CE2-CZ3 3.54Å; F1763-W1808 HydrophobicContact CE2-CZ3 3.54Å; F1763-W1808 VanDerWaalsContact CE2-CZ3 3.45Å; F1763-W1808 HydrophobicContact CZ-CE3 4.38Å; F1763-W1808 AromaticContact CZ-CZ3 3.89Å; F1763-W1808 HydrophobicContact CZ-CZ3 4.02Å; W1808-N1812 HydrophobicContact CE3-CB 4.39Å; W1808-R1813 HydrophobicContact CH2-CB 4.31Å; W1808-R1813 HydrophobicContact CH2-CG 4.49Å; W1808-R1813 HydrophobicContact CZ2-CB 3.85Å; W1808-R1813 HydrophobicContact CZ2-CG 3.82Å; W1808-A1816 HydrophobicContact CH2-CB 4.08Å; W1808-A1816 HydrophobicContact CZ3-CB 4.13Å; W1808-A1951 PolarHBondContact N-O 3.14Å; W1808-L1952 HydrophobicContact CB-CD2 3.69Å; W1808-L1952 HydrophobicContact CG-CD2 4.34Å; W1808-K1953 PolarHBondContact O-N 3.05Å |
| 1809 | T | 85.7 | Confident | 87.4 | Confident | 21.5 Ų | 21.5 | 38.4 Ų | 38.4 | 13% | 0.132 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 166.9 | 173 | 63 | 0 | 0 | 0 | 0 | 110.1 | I1807 F1811 N1812 R1813 K1953 | I1807-T1809 HydrophobicContact CG2-CG2 3.74Å; T1809-F1811 VanDerWaalsContact C-N 3.29Å; T1809-F1811 PolarHBondContact O-N 2.79Å; T1809-F1811 PolarHBondContact OG1-N 3.39Å; T1809-N1812 PolarHBondContact O-N 3.03Å; T1809-N1812 WeakPolarHBondContact OG1-CB 3.3Å; T1809-N1812 PolarHBondContact OG1-N 3.11Å; T1809-N1812 VanDerWaalsContact OG1-N 3.08Å; T1809-R1813 VanDerWaalsContact O-CB 3.27Å; T1809-R1813 WeakPolarHBondContact O-CB 3.38Å; T1809-R1813 PolarHBondContact O-N 3.04Å; T1809-K1953 HydrophobicContact CG2-CB 4.22Å |
| 1810 | T | 82.8 | Confident | 87.1 | Confident | 43.5 Ų | 43.5 | 43.5 Ų | 43.5 | 27% | 0.267 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -57.8 | -39.2 | 170.9 | 49.9 | 0 | 0 | 0 | 0 | 112.8 | R1813 D1814 C1955 L2237 | T1810-R1813 WeakPolarHBondContact O-CB 3.45Å; T1810-R1813 PolarHBondContact O-N 3.08Å; T1810-D1814 WeakPolarHBondContact O-CB 3.2Å; T1810-D1814 VanDerWaalsContact O-CG 3.23Å; T1810-D1814 PolarHBondContact O-N 3.13Å; T1810-C1955 HydrophobicContact CG2-CB 4.08Å; T1810-C1955 WeakPolarHBondContact CG2-SG 3.38Å; T1810-L2237 HydrophobicContact CG2-CD2 3.92Å |
| 1811 | F | 83.7 | Confident | 86.8 | Confident | 82.25 Ų | 82.25 | 44.3 Ų | 44.3 | 36% | 0.361 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.7 | -49.5 | 174.5 | -179.3 | -101.4 | 0 | 0 | 0 | 112.3 | K1760 S1761 T1809 R1813 D1814 I1815 | K1760-F1811 WeakPolarHBondContact O-CD1 3.48Å; S1761-F1811 WeakPolarHBondContact OG-CE1 3.06Å; T1809-F1811 VanDerWaalsContact C-N 3.29Å; T1809-F1811 PolarHBondContact O-N 2.79Å; T1809-F1811 PolarHBondContact OG1-N 3.39Å; F1811-R1813 VanDerWaalsContact C-N 3.34Å; F1811-R1813 PolarHBondContact O-N 3.28Å; F1811-D1814 PolarHBondContact O-N 2.96Å; F1811-I1815 HydrophobicContact CD1-CD1 3.88Å; F1811-I1815 HydrophobicContact CD2-CD1 4.25Å; F1811-I1815 HydrophobicContact CE1-CD1 3.41Å; F1811-I1815 VanDerWaalsContact CE1-CD1 3.44Å; F1811-I1815 HydrophobicContact CE2-CD1 3.83Å; F1811-I1815 HydrophobicContact CG-CD1 4.29Å; F1811-I1815 HydrophobicContact CZ-CD1 3.4Å; F1811-I1815 VanDerWaalsContact CZ-CD1 3.42Å; F1811-I1815 WeakPolarHBondContact O-CG1 3.23Å; F1811-I1815 PolarHBondContact O-N 2.94Å; F1811-I1815 VanDerWaalsContact O-N 3.15Å |
| 1812 | N | 86.5 | Confident | 86.3 | Confident | 1.25 Ų | 1.25 | 46.9 Ų | 46.9 | 1% | 0.007 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64 | -41.8 | 178.9 | -73.1 | -4.5 | 0 | 0 | 0 | 111.4 | L1747 S1761 F1762 F1763 I1807 W1808 T1809 D1814 I1815 A1816 | L1747-N1812 HydrophobicContact CD1-CB 3.87Å; L1747-N1812 WeakPolarHBondContact CD1-O 3.35Å; S1761-N1812 WeakPolarHBondContact CB-OD1 2.99Å; S1761-N1812 PolarHBondContact OG-OD1 2.97Å; S1761-N1812 VanDerWaalsContact OG-OD1 3.06Å; F1762-N1812 PolarHBondContact O-ND2 3.12Å; F1763-N1812 HydrophobicContact CD2-CB 4.24Å; I1807-N1812 PolarHBondContact O-ND2 3.02Å; W1808-N1812 HydrophobicContact CE3-CB 4.39Å; T1809-N1812 PolarHBondContact O-N 3.03Å; T1809-N1812 WeakPolarHBondContact OG1-CB 3.3Å; T1809-N1812 PolarHBondContact OG1-N 3.11Å; T1809-N1812 VanDerWaalsContact OG1-N 3.08Å; N1812-D1814 PolarHBondContact O-N 3.38Å; N1812-I1815 PolarHBondContact O-N 2.78Å; N1812-A1816 VanDerWaalsContact O-CB 3.22Å; N1812-A1816 WeakPolarHBondContact O-CB 3.38Å; N1812-A1816 PolarHBondContact O-N 3.3Å |
| 1813 | R | 86 | Confident | 85.8 | Confident | 35.75 Ų | 35.75 | 44.9 Ų | 44.9 | 14% | 0.135 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -55.4 | -52 | 174.9 | 179.6 | -159.5 | 70 | -162.7 | -4 | 111.2 | W1808 T1809 T1810 F1811 I1815 A1816 L1817 N2236 | W1808-R1813 HydrophobicContact CH2-CB 4.31Å; W1808-R1813 HydrophobicContact CH2-CG 4.49Å; W1808-R1813 HydrophobicContact CZ2-CB 3.85Å; W1808-R1813 HydrophobicContact CZ2-CG 3.82Å; T1809-R1813 VanDerWaalsContact O-CB 3.27Å; T1809-R1813 WeakPolarHBondContact O-CB 3.38Å; T1809-R1813 PolarHBondContact O-N 3.04Å; T1810-R1813 WeakPolarHBondContact O-CB 3.45Å; T1810-R1813 PolarHBondContact O-N 3.08Å; F1811-R1813 VanDerWaalsContact C-N 3.34Å; F1811-R1813 PolarHBondContact O-N 3.28Å; R1813-I1815 VanDerWaalsContact C-N 3.34Å; R1813-I1815 PolarHBondContact O-N 3.1Å; R1813-A1816 PolarHBondContact O-N 3.05Å; R1813-L1817 HydrophobicContact CG-CD1 3.85Å; R1813-L1817 HydrophobicContact CG-CG 4.38Å; R1813-L1817 WeakPolarHBondContact O-CB 3.33Å; R1813-L1817 VanDerWaalsContact O-CG 3.31Å; R1813-L1817 WeakPolarHBondContact O-CG 3.43Å; R1813-L1817 PolarHBondContact O-N 2.97Å; R1813-N2236 PolarHBondContact NH1-O 2.82Å |
| 1814 | D | 84.8 | Confident | 85.4 | Confident | 72 Ų | 72 | 47.3 Ų | 47.3 | 39% | 0.385 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -67.9 | -35.9 | -173.3 | -67.8 | -11.4 | 0 | 0 | 0 | 112.3 | T1810 F1811 N1812 H1818 | T1810-D1814 WeakPolarHBondContact O-CB 3.2Å; T1810-D1814 VanDerWaalsContact O-CG 3.23Å; T1810-D1814 PolarHBondContact O-N 3.13Å; F1811-D1814 PolarHBondContact O-N 2.96Å; N1812-D1814 PolarHBondContact O-N 3.38Å; D1814-H1818 VanDerWaalsContact O-CB 3.27Å; D1814-H1818 WeakPolarHBondContact O-CB 3.35Å; D1814-H1818 PolarHBondContact O-N 3.21Å; D1814-H1818 VanDerWaalsContact O-N 3.11Å |
| 1815 | I | 85.8 | Confident | 84.8 | Confident | 5.5 Ų | 5.5 | 50.3 Ų | 50.3 | 3% | 0.028 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.1 | -45.7 | 173.7 | -63.3 | 169.4 | 0 | 0 | 0 | 110.8 | R1695 L1747 F1811 N1812 R1813 L1817 H1818 I1819 | R1695-I1815 HydrophobicContact CB-CG2 4.39Å; R1695-I1815 HydrophobicContact CG-CG1 4.27Å; R1695-I1815 HydrophobicContact CG-CG2 4.22Å; L1747-I1815 HydrophobicContact CB-CB 4.33Å; L1747-I1815 HydrophobicContact CB-CD1 4.28Å; L1747-I1815 HydrophobicContact CB-CG2 4.03Å; L1747-I1815 HydrophobicContact CD1-CB 4.45Å; L1747-I1815 HydrophobicContact CD1-CG2 4.46Å; L1747-I1815 HydrophobicContact CD2-CG2 4.23Å; L1747-I1815 HydrophobicContact CG-CG2 4.48Å; F1811-I1815 HydrophobicContact CD1-CD1 3.88Å; F1811-I1815 HydrophobicContact CD2-CD1 4.25Å; F1811-I1815 HydrophobicContact CE1-CD1 3.41Å; F1811-I1815 VanDerWaalsContact CE1-CD1 3.44Å; F1811-I1815 HydrophobicContact CE2-CD1 3.83Å; F1811-I1815 HydrophobicContact CG-CD1 4.29Å; F1811-I1815 HydrophobicContact CZ-CD1 3.4Å; F1811-I1815 VanDerWaalsContact CZ-CD1 3.42Å; F1811-I1815 WeakPolarHBondContact O-CG1 3.23Å; F1811-I1815 PolarHBondContact O-N 2.94Å; F1811-I1815 VanDerWaalsContact O-N 3.15Å; N1812-I1815 PolarHBondContact O-N 2.78Å; R1813-I1815 VanDerWaalsContact C-N 3.34Å; R1813-I1815 PolarHBondContact O-N 3.1Å; I1815-L1817 PolarHBondContact O-N 2.8Å; I1815-H1818 PolarHBondContact O-N 3.04Å; I1815-I1819 HydrophobicContact CG2-CD1 3.73Å; I1815-I1819 HydrophobicContact CG2-CG1 4.42Å; I1815-I1819 VanDerWaalsContact O-CG1 3.3Å; I1815-I1819 WeakPolarHBondContact O-CG1 3.24Å; I1815-I1819 PolarHBondContact O-N 3.27Å |
| 1816 | A | 86.6 | Confident | 84.3 | Confident | 24.25 Ų | 24.25 | 47.8 Ų | 47.8 | 20% | 0.2 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.1 | -45.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | L1747 W1808 N1812 R1813 I1819 Y1820 | L1747-A1816 HydrophobicContact CD1-CB 4.31Å; W1808-A1816 HydrophobicContact CH2-CB 4.08Å; W1808-A1816 HydrophobicContact CZ3-CB 4.13Å; N1812-A1816 VanDerWaalsContact O-CB 3.22Å; N1812-A1816 WeakPolarHBondContact O-CB 3.38Å; N1812-A1816 PolarHBondContact O-N 3.3Å; R1813-A1816 PolarHBondContact O-N 3.05Å; A1816-I1819 PolarHBondContact O-N 3.19Å; A1816-Y1820 WeakPolarHBondContact O-CB 3.22Å; A1816-Y1820 PolarHBondContact O-N 3.33Å |
| 1817 | L | 85.7 | Confident | 83.7 | Confident | 61.75 Ų | 61.75 | 53.4 Ų | 53.4 | 32% | 0.323 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.3 | -44.2 | 175.1 | -70.9 | 177.3 | 0 | 0 | 0 | 111.4 | R1813 I1815 I1819 Y1820 D1821 Y2240 | R1813-L1817 HydrophobicContact CG-CD1 3.85Å; R1813-L1817 HydrophobicContact CG-CG 4.38Å; R1813-L1817 WeakPolarHBondContact O-CB 3.33Å; R1813-L1817 VanDerWaalsContact O-CG 3.31Å; R1813-L1817 WeakPolarHBondContact O-CG 3.43Å; R1813-L1817 PolarHBondContact O-N 2.97Å; I1815-L1817 PolarHBondContact O-N 2.8Å; L1817-I1819 VanDerWaalsContact C-N 3.33Å; L1817-I1819 PolarHBondContact O-N 3.05Å; L1817-Y1820 WeakPolarHBondContact O-CB 3.42Å; L1817-Y1820 PolarHBondContact O-N 3.18Å; L1817-D1821 VanDerWaalsContact O-CB 3.29Å; L1817-D1821 WeakPolarHBondContact O-CB 3.27Å; L1817-D1821 PolarHBondContact O-N 3.13Å; L1817-Y2240 HydrophobicContact CD1-CD1 4.18Å; L1817-Y2240 HydrophobicContact CD1-CE1 4.3Å |
| 1818 | H | 84 | Confident | 83.2 | Confident | 62.5 Ų | 62.5 | 54.9 Ų | 54.9 | 29% | 0.289 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.9 | -40.5 | 176.7 | 180 | -98.7 | 0 | 0 | 0 | 112.7 | R1695 D1814 I1815 N1822 | R1695-H1818 VanDerWaalsContact CD-CD2 3.48Å; R1695-H1818 WeakPolarHBondContact CD-CD2 3.45Å; R1695-H1818 WeakPolarHBondContact CD-ND1 3.36Å; D1814-H1818 VanDerWaalsContact O-CB 3.27Å; D1814-H1818 WeakPolarHBondContact O-CB 3.35Å; D1814-H1818 PolarHBondContact O-N 3.21Å; D1814-H1818 VanDerWaalsContact O-N 3.11Å; I1815-H1818 PolarHBondContact O-N 3.04Å; H1818-N1822 PolarHBondContact CD2-ND2 3.24Å; H1818-N1822 VanDerWaalsContact CD2-ND2 3.3Å; H1818-N1822 PolarHBondContact CE1-ND2 3.16Å; H1818-N1822 VanDerWaalsContact CE1-ND2 3.28Å; H1818-N1822 PolarHBondContact ND1-ND2 3Å; H1818-N1822 VanDerWaalsContact ND1-ND2 3.16Å; H1818-N1822 PolarHBondContact NE2-ND2 3.05Å; H1818-N1822 VanDerWaalsContact NE2-ND2 3.19Å; H1818-N1822 WeakPolarHBondContact O-CB 3.36Å; H1818-N1822 VanDerWaalsContact O-CG 3.3Å; H1818-N1822 PolarHBondContact O-N 3.23Å; H1818-N1822 VanDerWaalsContact O-N 3.11Å; H1818-N1822 PolarHBondContact O-ND2 2.93Å |
| 1819 | I | 84.2 | Confident | 82.8 | Confident | 16 Ų | 16 | 53.2 Ų | 53.2 | 8% | 0.082 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.6 | -43.9 | 176.8 | -67.6 | 167.8 | 0 | 0 | 0 | 110.6 | Y1687 P1689 V1697 L1747 I1815 A1816 L1817 N1822 I1823 | Y1687-I1819 HydrophobicContact CE1-CG2 4.34Å; P1689-I1819 HydrophobicContact CG-CG1 4.46Å; V1697-I1819 HydrophobicContact CG2-CD1 3.69Å; L1747-I1819 HydrophobicContact CD2-CD1 4.43Å; I1815-I1819 HydrophobicContact CG2-CD1 3.73Å; I1815-I1819 HydrophobicContact CG2-CG1 4.42Å; I1815-I1819 VanDerWaalsContact O-CG1 3.3Å; I1815-I1819 WeakPolarHBondContact O-CG1 3.24Å; I1815-I1819 PolarHBondContact O-N 3.27Å; A1816-I1819 PolarHBondContact O-N 3.19Å; L1817-I1819 VanDerWaalsContact C-N 3.33Å; L1817-I1819 PolarHBondContact O-N 3.05Å; I1819-N1822 PolarHBondContact O-N 2.95Å; I1819-I1823 HydrophobicContact CG2-CD1 4Å; I1819-I1823 VanDerWaalsContact O-CG1 3.3Å; I1819-I1823 WeakPolarHBondContact O-CG1 3.33Å; I1819-I1823 PolarHBondContact O-N 3.13Å; I1819-I1823 VanDerWaalsContact O-N 3.13Å |
| 1820 | Y | 84.5 | Confident | 82.2 | Confident | 132.25 Ų | 132.25 | 58.2 Ų | 58.2 | 52% | 0.519 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.1 | -50 | 176.4 | 178.6 | -90.2 | 0 | 0 | 0 | 111.5 | A1816 L1817 N1822 I1823 E1824 | A1816-Y1820 WeakPolarHBondContact O-CB 3.22Å; A1816-Y1820 PolarHBondContact O-N 3.33Å; L1817-Y1820 WeakPolarHBondContact O-CB 3.42Å; L1817-Y1820 PolarHBondContact O-N 3.18Å; Y1820-N1822 VanDerWaalsContact C-N 3.32Å; Y1820-N1822 PolarHBondContact O-N 3.16Å; Y1820-I1823 CarbonylContact O-C 3.58Å; Y1820-I1823 WeakPolarHBondContact O-CA 3.34Å; Y1820-I1823 WeakPolarHBondContact O-CB 3.27Å; Y1820-I1823 PolarHBondContact O-N 3.29Å; Y1820-I1823 VanDerWaalsContact O-N 3.08Å; Y1820-E1824 HydrophobicContact CE1-CB 4.34Å; Y1820-E1824 VanDerWaalsContact CE1-OE2 3.25Å; Y1820-E1824 WeakPolarHBondContact CE1-OE2 3.3Å; Y1820-E1824 PolarHBondContact O-N 3.06Å; Y1820-E1824 PolarHBondContact OH-OE1 3.37Å |
| 1821 | D | 82.5 | Confident | 81.7 | Confident | 30.5 Ų | 30.5 | 60.5 Ų | 60.5 | 16% | 0.163 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.2 | -41.5 | 179.5 | -84.4 | 17 | 0 | 0 | 0 | 112.2 | L1817 I1823 E1824 K1825 K2245 | L1817-D1821 VanDerWaalsContact O-CB 3.29Å; L1817-D1821 WeakPolarHBondContact O-CB 3.27Å; L1817-D1821 PolarHBondContact O-N 3.13Å; D1821-I1823 VanDerWaalsContact C-N 3.32Å; D1821-I1823 PolarHBondContact O-N 3.16Å; D1821-E1824 PolarHBondContact O-N 3.15Å; D1821-K1825 VanDerWaalsContact O-CB 3.29Å; D1821-K1825 WeakPolarHBondContact O-CB 3.28Å; D1821-K1825 WeakPolarHBondContact O-CD 3.08Å; D1821-K1825 VanDerWaalsContact O-CG 3.28Å; D1821-K1825 WeakPolarHBondContact O-CG 3.36Å; D1821-K1825 PolarHBondContact O-N 3.17Å; D1821-K1825 WeakPolarHBondContact OD2-CE 3.5Å; D1821-K1825 IonicContact OD2-NZ 2.72Å; D1821-K1825 PolarHBondContact OD2-NZ 3.49Å; D1821-K2245 WeakPolarHBondContact OD1-CE 3.32Å; D1821-K2245 IonicContact OD1-NZ 3.46Å; D1821-K2245 PolarHBondContact OD1-NZ 3.11Å; D1821-K2245 WeakPolarHBondContact OD2-CE 3.3Å; D1821-K2245 IonicContact OD2-NZ 3.25Å; D1821-K2245 PolarHBondContact OD2-NZ 3.1Å |
| 1822 | N | 81.2 | Confident | 81.4 | Confident | 64.75 Ų | 64.75 | 58 Ų | 58 | 35% | 0.346 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.3 | -36.1 | 176.4 | -79.5 | -51 | 0 | 0 | 0 | 112.4 | H1818 I1819 Y1820 G1826 | H1818-N1822 PolarHBondContact CD2-ND2 3.24Å; H1818-N1822 VanDerWaalsContact CD2-ND2 3.3Å; H1818-N1822 PolarHBondContact CE1-ND2 3.16Å; H1818-N1822 VanDerWaalsContact CE1-ND2 3.28Å; H1818-N1822 PolarHBondContact ND1-ND2 3Å; H1818-N1822 VanDerWaalsContact ND1-ND2 3.16Å; H1818-N1822 PolarHBondContact NE2-ND2 3.05Å; H1818-N1822 VanDerWaalsContact NE2-ND2 3.19Å; H1818-N1822 WeakPolarHBondContact O-CB 3.36Å; H1818-N1822 VanDerWaalsContact O-CG 3.3Å; H1818-N1822 PolarHBondContact O-N 3.23Å; H1818-N1822 VanDerWaalsContact O-N 3.11Å; H1818-N1822 PolarHBondContact O-ND2 2.93Å; I1819-N1822 PolarHBondContact O-N 2.95Å; Y1820-N1822 VanDerWaalsContact C-N 3.32Å; Y1820-N1822 PolarHBondContact O-N 3.16Å; N1822-G1826 WeakPolarHBondContact O-CA 3.36Å; N1822-G1826 PolarHBondContact O-N 3.1Å |
| 1823 | I | 80.4 | Confident | 80.9 | Confident | 70.25 Ų | 70.25 | 60.8 Ų | 60.8 | 36% | 0.36 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -69.4 | -42.5 | 175 | -67.6 | 166.9 | 0 | 0 | 0 | 110.4 | I1819 Y1820 D1821 G1826 K1827 | I1819-I1823 HydrophobicContact CG2-CD1 4Å; I1819-I1823 VanDerWaalsContact O-CG1 3.3Å; I1819-I1823 WeakPolarHBondContact O-CG1 3.33Å; I1819-I1823 PolarHBondContact O-N 3.13Å; I1819-I1823 VanDerWaalsContact O-N 3.13Å; Y1820-I1823 CarbonylContact O-C 3.58Å; Y1820-I1823 WeakPolarHBondContact O-CA 3.34Å; Y1820-I1823 WeakPolarHBondContact O-CB 3.27Å; Y1820-I1823 PolarHBondContact O-N 3.29Å; Y1820-I1823 VanDerWaalsContact O-N 3.08Å; D1821-I1823 VanDerWaalsContact C-N 3.32Å; D1821-I1823 PolarHBondContact O-N 3.16Å; I1823-G1826 CarbonylContact O-C 3.58Å; I1823-G1826 PolarHBondContact O-N 2.91Å; I1823-K1827 WeakPolarHBondContact O-CG 3.37Å; I1823-K1827 PolarHBondContact O-N 3.34Å |
| 1824 | E | 79.7 | Confident | 80.2 | Confident | 72.25 Ų | 72.25 | 60.7 Ų | 60.7 | 34% | 0.338 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66 | -52.7 | 178.8 | -175.5 | 168.1 | -142.4 | 0 | 0 | 111.8 | Y1820 D1821 G1826 K1827 I1828 K2245 | Y1820-E1824 HydrophobicContact CE1-CB 4.34Å; Y1820-E1824 VanDerWaalsContact CE1-OE2 3.25Å; Y1820-E1824 WeakPolarHBondContact CE1-OE2 3.3Å; Y1820-E1824 PolarHBondContact O-N 3.06Å; Y1820-E1824 PolarHBondContact OH-OE1 3.37Å; D1821-E1824 PolarHBondContact O-N 3.15Å; E1824-G1826 VanDerWaalsContact C-N 3.25Å; E1824-G1826 PolarHBondContact O-N 3Å; E1824-K1827 CarbonylContact O-C 3.54Å; E1824-K1827 WeakPolarHBondContact O-CA 3.41Å; E1824-K1827 WeakPolarHBondContact O-CB 3.34Å; E1824-K1827 PolarHBondContact O-N 3.1Å; E1824-I1828 HydrophobicContact CG-CD1 3.98Å; E1824-I1828 HydrophobicContact CG-CG1 4.49Å; E1824-I1828 WeakPolarHBondContact O-CG1 3.33Å; E1824-I1828 PolarHBondContact O-N 3.07Å; E1824-K2245 IonicContact OE2-NZ 3.62Å |
| 1825 | K | 79.1 | Confident | 79.3 | Confident | 77.75 Ų | 77.75 | 62.2 Ų | 62.2 | 34% | 0.338 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -55.3 | -41 | 172.1 | -69 | 177.5 | -175 | -169.8 | 0 | 110.8 | D1821 K1827 I1828 I1829 S2324 E2328 | D1821-K1825 VanDerWaalsContact O-CB 3.29Å; D1821-K1825 WeakPolarHBondContact O-CB 3.28Å; D1821-K1825 WeakPolarHBondContact O-CD 3.08Å; D1821-K1825 VanDerWaalsContact O-CG 3.28Å; D1821-K1825 WeakPolarHBondContact O-CG 3.36Å; D1821-K1825 PolarHBondContact O-N 3.17Å; D1821-K1825 WeakPolarHBondContact OD2-CE 3.5Å; D1821-K1825 IonicContact OD2-NZ 2.72Å; D1821-K1825 PolarHBondContact OD2-NZ 3.49Å; K1825-K1827 VanDerWaalsContact C-N 3.31Å; K1825-K1827 PolarHBondContact O-N 3.09Å; K1825-I1828 PolarHBondContact O-N 3.21Å; K1825-I1829 WeakPolarHBondContact O-CB 3.46Å; K1825-I1829 WeakPolarHBondContact O-CD1 3.39Å; K1825-I1829 VanDerWaalsContact O-CG1 3.25Å; K1825-I1829 WeakPolarHBondContact O-CG1 3.39Å; K1825-I1829 PolarHBondContact O-N 3.12Å; K1825-S2324 PolarHBondContact NZ-OG 3.07Å; K1825-E2328 IonicContact NZ-OE1 3.88Å; K1825-E2328 PolarHBondContact NZ-OE1 2.89Å |
| 1826 | G | 78.4 | Confident | 78.1 | Confident | 19 Ų | 19 | 66 Ų | 66 | 20% | 0.196 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.8 | -25.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | N1822 I1823 E1824 R1830 | N1822-G1826 WeakPolarHBondContact O-CA 3.36Å; N1822-G1826 PolarHBondContact O-N 3.1Å; I1823-G1826 CarbonylContact O-C 3.58Å; I1823-G1826 PolarHBondContact O-N 2.91Å; E1824-G1826 VanDerWaalsContact C-N 3.25Å; E1824-G1826 PolarHBondContact O-N 3Å; G1826-R1830 WeakPolarHBondContact O-CD 3.49Å; G1826-R1830 VanDerWaalsContact O-CG 3.24Å; G1826-R1830 WeakPolarHBondContact O-CG 3.4Å; G1826-R1830 PolarHBondContact O-NE 3.19Å |
| 1827 | K | 77.7 | Confident | 76.7 | Confident | 132.25 Ų | 132.25 | 65.7 Ų | 65.7 | 58% | 0.575 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -79 | -46.7 | 169.4 | -72.6 | 172.3 | -179.2 | 177.7 | 0 | 110.8 | I1823 E1824 K1825 I1829 R1830 R1831 | I1823-K1827 WeakPolarHBondContact O-CG 3.37Å; I1823-K1827 PolarHBondContact O-N 3.34Å; E1824-K1827 CarbonylContact O-C 3.54Å; E1824-K1827 WeakPolarHBondContact O-CA 3.41Å; E1824-K1827 WeakPolarHBondContact O-CB 3.34Å; E1824-K1827 PolarHBondContact O-N 3.1Å; K1825-K1827 VanDerWaalsContact C-N 3.31Å; K1825-K1827 PolarHBondContact O-N 3.09Å; K1827-I1829 PolarHBondContact O-N 2.87Å; K1827-R1830 WeakPolarHBondContact O-CA 3.2Å; K1827-R1830 WeakPolarHBondContact O-CB 3.39Å; K1827-R1830 PolarHBondContact O-N 3.09Å; K1827-R1831 PolarHBondContact O-N 3.06Å |
| 1828 | I | 78.3 | Confident | 75.4 | Confident | 51.25 Ų | 51.25 | 65.2 Ų | 65.2 | 26% | 0.263 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.9 | -48.9 | -179 | -66.7 | 167.2 | 0 | 0 | 0 | 111.1 | E1824 K1825 R1830 R1831 N1832 H2331 | E1824-I1828 HydrophobicContact CG-CD1 3.98Å; E1824-I1828 HydrophobicContact CG-CG1 4.49Å; E1824-I1828 WeakPolarHBondContact O-CG1 3.33Å; E1824-I1828 PolarHBondContact O-N 3.07Å; K1825-I1828 PolarHBondContact O-N 3.21Å; I1828-R1830 VanDerWaalsContact C-N 3.25Å; I1828-R1830 PolarHBondContact O-N 2.99Å; I1828-R1830 VanDerWaalsContact O-N 3.13Å; I1828-R1831 WeakPolarHBondContact O-CB 3.4Å; I1828-R1831 PolarHBondContact O-N 3.01Å; I1828-R1831 VanDerWaalsContact O-N 3.09Å; I1828-N1832 WeakPolarHBondContact CG2-ND2 3.34Å; I1828-N1832 VanDerWaalsContact O-CB 3.3Å; I1828-N1832 WeakPolarHBondContact O-CB 3.31Å; I1828-N1832 VanDerWaalsContact O-CG 3.28Å; I1828-N1832 PolarHBondContact O-N 2.96Å; I1828-N1832 PolarHBondContact O-OD1 2.9Å; I1828-H2331 HydrophobicContact CG2-CB 4.35Å |
| 1829 | I | 80.1 | Confident | 74.2 | Confident | 40.75 Ų | 40.75 | 67.4 Ų | 67.4 | 21% | 0.209 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -55.3 | -39.7 | 176.3 | -68 | 162.9 | 0 | 0 | 0 | 111.1 | K1825 K1827 N1832 L1833 L2323 N2327 | K1825-I1829 WeakPolarHBondContact O-CB 3.46Å; K1825-I1829 WeakPolarHBondContact O-CD1 3.39Å; K1825-I1829 VanDerWaalsContact O-CG1 3.25Å; K1825-I1829 WeakPolarHBondContact O-CG1 3.39Å; K1825-I1829 PolarHBondContact O-N 3.12Å; K1827-I1829 PolarHBondContact O-N 2.87Å; I1829-N1832 PolarHBondContact O-N 3.19Å; I1829-L1833 HydrophobicContact CG2-CD1 3.83Å; I1829-L1833 HydrophobicContact CG2-CG 4.47Å; I1829-L1833 VanDerWaalsContact O-CB 3.31Å; I1829-L1833 WeakPolarHBondContact O-CB 3.36Å; I1829-L1833 VanDerWaalsContact O-CG 3.28Å; I1829-L1833 WeakPolarHBondContact O-CG 3.46Å; I1829-L1833 PolarHBondContact O-N 3.23Å; I1829-L1833 VanDerWaalsContact O-N 3.09Å; I1829-L2323 HydrophobicContact CD1-CD2 3.99Å; I1829-N2327 WeakPolarHBondContact CA-OD1 3.39Å; I1829-N2327 HydrophobicContact CG1-CB 4.09Å; I1829-N2327 WeakPolarHBondContact CG1-ND2 3.36Å; I1829-N2327 WeakPolarHBondContact CG1-OD1 3.3Å |
| 1830 | R | 74.6 | Confident | 72.7 | Confident | 126 Ų | 126 | 71.2 Ų | 71.2 | 48% | 0.475 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -69.2 | -39.3 | 178.6 | -74 | 178.7 | -105.4 | -179.7 | 0.2 | 112.4 | G1826 K1827 I1828 S1834 | G1826-R1830 WeakPolarHBondContact O-CD 3.49Å; G1826-R1830 VanDerWaalsContact O-CG 3.24Å; G1826-R1830 WeakPolarHBondContact O-CG 3.4Å; G1826-R1830 PolarHBondContact O-NE 3.19Å; K1827-R1830 WeakPolarHBondContact O-CA 3.2Å; K1827-R1830 WeakPolarHBondContact O-CB 3.39Å; K1827-R1830 PolarHBondContact O-N 3.09Å; I1828-R1830 VanDerWaalsContact C-N 3.25Å; I1828-R1830 PolarHBondContact O-N 2.99Å; I1828-R1830 VanDerWaalsContact O-N 3.13Å; R1830-S1834 WeakPolarHBondContact O-CB 3.31Å; R1830-S1834 PolarHBondContact O-N 3.03Å; R1830-S1834 VanDerWaalsContact O-N 3.09Å |
| 1831 | R | 72.9 | Confident | 71.2 | Confident | 92.75 Ų | 92.75 | 66.5 Ų | 66.5 | 35% | 0.35 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.6 | -49.9 | 175 | -177.3 | 173.7 | 170 | 121.6 | -6.6 | 110.3 | K1827 I1828 L1833 S1834 A1837 E2182 N2183 F2184 | K1827-R1831 PolarHBondContact O-N 3.06Å; I1828-R1831 WeakPolarHBondContact O-CB 3.4Å; I1828-R1831 PolarHBondContact O-N 3.01Å; I1828-R1831 VanDerWaalsContact O-N 3.09Å; R1831-L1833 VanDerWaalsContact C-N 3.31Å; R1831-L1833 PolarHBondContact O-N 3.05Å; R1831-S1834 VanDerWaalsContact O-CB 3.32Å; R1831-S1834 WeakPolarHBondContact O-CB 3.41Å; R1831-S1834 PolarHBondContact O-N 3.01Å; R1831-S1834 VanDerWaalsContact O-N 3.16Å; R1831-S1834 PolarHBondContact O-OG 2.91Å; R1831-A1837 VanDerWaalsContact O-CB 3.28Å; R1831-A1837 WeakPolarHBondContact O-CB 3.37Å; R1831-E2182 IonicContact CZ-OE2 2.76Å; R1831-E2182 PolarHBondContact NH1-O 3.34Å; R1831-E2182 IonicContact NH1-OE2 2.8Å; R1831-E2182 PolarHBondContact NH2-O 3.01Å; R1831-E2182 IonicContact NH2-OE2 3.67Å; R1831-E2182 PolarHBondContact NH2-OE2 2.84Å; R1831-N2183 WeakPolarHBondContact CD-OD1 3.21Å; R1831-N2183 PolarHBondContact NE-OD1 2.82Å; R1831-N2183 PolarHBondContact NH1-OD1 3.18Å; R1831-F2184 PolarHBondContact NH1-O 3.13Å |
| 1832 | N | 76.3 | Confident | 69.8 | Low | 28.75 Ų | 28.75 | 70.1 Ų | 70.1 | 15% | 0.154 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.4 | -31.4 | -179.7 | -70 | -3.2 | 0 | 0 | 0 | 113.9 | I1828 I1829 Q2275 N2327 L2330 H2331 I2334 | I1828-N1832 WeakPolarHBondContact CG2-ND2 3.34Å; I1828-N1832 VanDerWaalsContact O-CB 3.3Å; I1828-N1832 WeakPolarHBondContact O-CB 3.31Å; I1828-N1832 VanDerWaalsContact O-CG 3.28Å; I1828-N1832 PolarHBondContact O-N 2.96Å; I1828-N1832 PolarHBondContact O-OD1 2.9Å; I1829-N1832 PolarHBondContact O-N 3.19Å; N1832-Q2275 PolarHBondContact O-NE2 3.07Å; N1832-Q2275 VanDerWaalsContact O-NE2 3.13Å; N1832-N2327 PolarHBondContact ND2-O 2.6Å; N1832-N2327 PolarHBondContact ND2-OD1 3.21Å; N1832-L2330 HydrophobicContact CB-CD2 3.9Å; N1832-L2330 HydrophobicContact CB-CG 4.27Å; N1832-H2331 WeakPolarHBondContact ND2-CB 3.31Å; N1832-H2331 PolarHBondContact OD1-ND1 3.13Å; N1832-I2334 HydrophobicContact CB-CD1 4.01Å |
| 1833 | L | 76.6 | Confident | 68.4 | Low | 60.25 Ų | 60.25 | 70.9 Ų | 70.9 | 32% | 0.315 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -3 | 176.2 | -65.8 | 177.6 | 0 | 0 | 0 | 113.9 | I1829 R1831 Q2275 V2278 R2279 L2330 | I1829-L1833 HydrophobicContact CG2-CD1 3.83Å; I1829-L1833 HydrophobicContact CG2-CG 4.47Å; I1829-L1833 VanDerWaalsContact O-CB 3.31Å; I1829-L1833 WeakPolarHBondContact O-CB 3.36Å; I1829-L1833 VanDerWaalsContact O-CG 3.28Å; I1829-L1833 WeakPolarHBondContact O-CG 3.46Å; I1829-L1833 PolarHBondContact O-N 3.23Å; I1829-L1833 VanDerWaalsContact O-N 3.09Å; R1831-L1833 VanDerWaalsContact C-N 3.31Å; R1831-L1833 PolarHBondContact O-N 3.05Å; L1833-Q2275 HydrophobicContact CD2-CB 4.4Å; L1833-Q2275 HydrophobicContact CD2-CG 4.42Å; L1833-V2278 HydrophobicContact CD1-CG1 4.18Å; L1833-V2278 HydrophobicContact CD2-CB 4.37Å; L1833-V2278 HydrophobicContact CD2-CG1 4.14Å; L1833-V2278 HydrophobicContact CG-CG1 4.25Å; L1833-R2279 HydrophobicContact CD1-CG 4.39Å; L1833-R2279 HydrophobicContact CD2-CG 3.91Å; L1833-L2330 HydrophobicContact CD2-CD2 4.49Å |
| 1834 | S | 71.3 | Confident | 66.8 | Low | 34 Ų | 34 | 71.8 Ų | 71.8 | 24% | 0.238 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -75.3 | 155.4 | 179 | 75 | 0 | 0 | 0 | 0 | 111.5 | R1830 R1831 D1836 A1837 L1838 | R1830-S1834 WeakPolarHBondContact O-CB 3.31Å; R1830-S1834 PolarHBondContact O-N 3.03Å; R1830-S1834 VanDerWaalsContact O-N 3.09Å; R1831-S1834 VanDerWaalsContact O-CB 3.32Å; R1831-S1834 WeakPolarHBondContact O-CB 3.41Å; R1831-S1834 PolarHBondContact O-N 3.01Å; R1831-S1834 VanDerWaalsContact O-N 3.16Å; R1831-S1834 PolarHBondContact O-OG 2.91Å; S1834-D1836 PolarHBondContact O-N 2.82Å; S1834-D1836 PolarHBondContact OG-N 2.93Å; S1834-A1837 PolarHBondContact O-N 3.17Å; S1834-A1837 PolarHBondContact OG-N 2.98Å; S1834-L1838 PolarHBondContact O-N 2.71Å |
| 1835 | T | 64.8 | Low | 65.2 | Low | 103.5 Ų | 103.5 | 74.9 Ų | 74.9 | 64% | 0.635 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63.6 | -26.1 | 172.2 | 45.4 | 0 | 0 | 0 | 0 | 112.6 | A1837 L1838 K1839 | T1835-A1837 VanDerWaalsContact C-N 3.32Å; T1835-A1837 PolarHBondContact O-N 3.18Å; T1835-L1838 CarbonylContact O-C 3.56Å; T1835-L1838 WeakPolarHBondContact O-CA 3.37Å; T1835-L1838 WeakPolarHBondContact O-CB 3.49Å; T1835-L1838 PolarHBondContact O-N 2.94Å; T1835-K1839 PolarHBondContact O-N 3.16Å; T1835-K1839 VanDerWaalsContact O-N 3.09Å |
| 1836 | D | 60.7 | Low | 63.6 | Low | 84.75 Ų | 84.75 | 74.2 Ų | 74.2 | 45% | 0.453 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -70.1 | -32.5 | -178.9 | -61.7 | -43.2 | 0 | 0 | 0 | 112 | S1834 L1838 K1839 | S1834-D1836 PolarHBondContact O-N 2.82Å; S1834-D1836 PolarHBondContact OG-N 2.93Å; D1836-L1838 VanDerWaalsContact C-N 3.3Å; D1836-L1838 PolarHBondContact O-N 3.16Å; D1836-K1839 PolarHBondContact O-N 3.04Å; D1836-K1839 WeakPolarHBondContact OD1-CD 3.27Å; D1836-K1839 WeakPolarHBondContact OD1-CE 3.25Å; D1836-K1839 IonicContact OD1-NZ 3.71Å; D1836-K1839 PolarHBondContact OD1-NZ 2.98Å; D1836-K1839 VanDerWaalsContact OD1-NZ 3.16Å |
| 1837 | A | 58.1 | Low | 62 | Low | 17.5 Ų | 17.5 | 77.3 Ų | 77.3 | 15% | 0.145 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -66.3 | -21.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R1831 S1834 T1835 I2334 | R1831-A1837 VanDerWaalsContact O-CB 3.28Å; R1831-A1837 WeakPolarHBondContact O-CB 3.37Å; S1834-A1837 PolarHBondContact O-N 3.17Å; S1834-A1837 PolarHBondContact OG-N 2.98Å; T1835-A1837 VanDerWaalsContact C-N 3.32Å; T1835-A1837 PolarHBondContact O-N 3.18Å; A1837-I2334 HydrophobicContact CB-CD1 4.4Å |
| 1838 | L | 58.1 | Low | 60.4 | Low | 52 Ų | 52 | 78.7 Ų | 78.7 | 27% | 0.272 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -94.9 | -18.7 | 176.2 | -70 | 174.8 | 0 | 0 | 0 | 113.6 | S1834 T1835 D1836 L1840 V1841 I1842 L2272 Q2275 | S1834-L1838 PolarHBondContact O-N 2.71Å; T1835-L1838 CarbonylContact O-C 3.56Å; T1835-L1838 WeakPolarHBondContact O-CA 3.37Å; T1835-L1838 WeakPolarHBondContact O-CB 3.49Å; T1835-L1838 PolarHBondContact O-N 2.94Å; D1836-L1838 VanDerWaalsContact C-N 3.3Å; D1836-L1838 PolarHBondContact O-N 3.16Å; L1838-L1840 VanDerWaalsContact C-N 3.32Å; L1838-L1840 PolarHBondContact O-N 3.04Å; L1838-V1841 HydrophobicContact CD2-CB 4.29Å; L1838-V1841 HydrophobicContact CD2-CG2 4.1Å; L1838-V1841 CarbonylContact O-C 3.59Å; L1838-V1841 VanDerWaalsContact O-CA 3.29Å; L1838-V1841 WeakPolarHBondContact O-CA 3.38Å; L1838-V1841 VanDerWaalsContact O-CB 3.28Å; L1838-V1841 WeakPolarHBondContact O-CB 3.38Å; L1838-V1841 PolarHBondContact O-N 3.05Å; L1838-I1842 HydrophobicContact CB-CD1 4.33Å; L1838-I1842 HydrophobicContact CB-CG1 4.49Å; L1838-I1842 WeakPolarHBondContact O-CG1 3.27Å; L1838-I1842 PolarHBondContact O-N 2.92Å; L1838-L2272 HydrophobicContact CD1-CD2 4.38Å; L1838-L2272 HydrophobicContact CD2-CD2 4.29Å; L1838-Q2275 VanDerWaalsContact CD2-OE1 3.23Å |
| 1839 | K | 58.3 | Low | 58.6 | Low | 108 Ų | 108 | 79.4 Ų | 79.4 | 47% | 0.47 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -56.5 | -43.9 | 179.8 | -97.6 | 177.5 | 179.7 | 169.6 | 0 | 111.8 | T1835 D1836 V1841 I1842 D1843 | T1835-K1839 PolarHBondContact O-N 3.16Å; T1835-K1839 VanDerWaalsContact O-N 3.09Å; D1836-K1839 PolarHBondContact O-N 3.04Å; D1836-K1839 WeakPolarHBondContact OD1-CD 3.27Å; D1836-K1839 WeakPolarHBondContact OD1-CE 3.25Å; D1836-K1839 IonicContact OD1-NZ 3.71Å; D1836-K1839 PolarHBondContact OD1-NZ 2.98Å; D1836-K1839 VanDerWaalsContact OD1-NZ 3.16Å; K1839-V1841 VanDerWaalsContact C-N 3.29Å; K1839-V1841 PolarHBondContact O-N 3.09Å; K1839-I1842 WeakPolarHBondContact O-CA 3.2Å; K1839-I1842 WeakPolarHBondContact O-CB 3.14Å; K1839-I1842 PolarHBondContact O-N 3.21Å; K1839-I1842 VanDerWaalsContact O-N 3.07Å; K1839-D1843 WeakPolarHBondContact O-CB 3.38Å; K1839-D1843 VanDerWaalsContact O-CG 3.27Å; K1839-D1843 PolarHBondContact O-N 3.01Å |
| 1840 | L | 53.2 | Low | 56.8 | Low | 97.25 Ų | 97.25 | 82.8 Ų | 82.8 | 51% | 0.509 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.2 | -22.8 | 176.2 | -62.7 | 171.8 | 0 | 0 | 0 | 113.6 | L1838 I1842 N1844 F2338 | L1838-L1840 VanDerWaalsContact C-N 3.32Å; L1838-L1840 PolarHBondContact O-N 3.04Å; L1840-I1842 VanDerWaalsContact C-N 3.29Å; L1840-N1844 WeakPolarHBondContact O-CB 3.4Å; L1840-N1844 PolarHBondContact O-ND2 2.93Å; L1840-N1844 PolarHBondContact O-OD1 3.39Å; L1840-F2338 HydrophobicContact CB-CE1 3.86Å; L1840-F2338 HydrophobicContact CB-CZ 4.29Å; L1840-F2338 HydrophobicContact CD1-CD1 4.24Å; L1840-F2338 HydrophobicContact CD1-CD2 4.23Å; L1840-F2338 HydrophobicContact CD1-CE1 3.77Å; L1840-F2338 VanDerWaalsContact CD1-CE1 3.47Å; L1840-F2338 HydrophobicContact CD1-CE2 3.44Å; L1840-F2338 VanDerWaalsContact CD1-CE2 3.44Å; L1840-F2338 HydrophobicContact CD1-CZ 3.7Å; L1840-F2338 HydrophobicContact CG-CZ 4.44Å |
| 1841 | V | 52.2 | Low | 55.1 | Low | 33.25 Ų | 33.25 | 81.8 Ų | 81.8 | 20% | 0.202 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -81 | -35.1 | 174.4 | -175 | 0 | 0 | 0 | 0 | 111.1 | L1838 K1839 E1845 R2268 I2271 L2272 L2337 F2338 | L1838-V1841 HydrophobicContact CD2-CB 4.29Å; L1838-V1841 HydrophobicContact CD2-CG2 4.1Å; L1838-V1841 CarbonylContact O-C 3.59Å; L1838-V1841 VanDerWaalsContact O-CA 3.29Å; L1838-V1841 WeakPolarHBondContact O-CA 3.38Å; L1838-V1841 VanDerWaalsContact O-CB 3.28Å; L1838-V1841 WeakPolarHBondContact O-CB 3.38Å; L1838-V1841 PolarHBondContact O-N 3.05Å; K1839-V1841 VanDerWaalsContact C-N 3.29Å; K1839-V1841 PolarHBondContact O-N 3.09Å; V1841-E1845 PolarHBondContact O-N 2.78Å; V1841-R2268 HydrophobicContact CG1-CG 3.63Å; V1841-R2268 WeakPolarHBondContact O-CD 3.23Å; V1841-R2268 PolarHBondContact O-NE 3.32Å; V1841-I2271 HydrophobicContact CG2-CG2 4.36Å; V1841-L2272 HydrophobicContact CG1-CD1 4.12Å; V1841-L2272 HydrophobicContact CG1-CD2 4.09Å; V1841-L2272 HydrophobicContact CG1-CG 4.05Å; V1841-L2337 HydrophobicContact CG2-CD2 3.94Å; V1841-F2338 HydrophobicContact CG2-CZ 4.43Å |
| 1842 | I | 54.2 | Low | 53.5 | Low | 106 Ų | 106 | 80.9 Ų | 80.9 | 54% | 0.544 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -80.8 | -45.6 | -177.7 | -61.5 | 167.2 | 0 | 0 | 0 | 111.1 | L1838 K1839 L1840 N1844 E1845 S1846 | L1838-I1842 HydrophobicContact CB-CD1 4.33Å; L1838-I1842 HydrophobicContact CB-CG1 4.49Å; L1838-I1842 WeakPolarHBondContact O-CG1 3.27Å; L1838-I1842 PolarHBondContact O-N 2.92Å; K1839-I1842 WeakPolarHBondContact O-CA 3.2Å; K1839-I1842 WeakPolarHBondContact O-CB 3.14Å; K1839-I1842 PolarHBondContact O-N 3.21Å; K1839-I1842 VanDerWaalsContact O-N 3.07Å; L1840-I1842 VanDerWaalsContact C-N 3.29Å; I1842-N1844 VanDerWaalsContact C-N 3.3Å; I1842-N1844 PolarHBondContact O-N 2.97Å; I1842-E1845 PolarHBondContact O-N 3.05Å; I1842-S1846 PolarHBondContact O-N 3.19Å |
| 1843 | D | 51.7 | Low | 51.9 | Low | 81.25 Ų | 81.25 | 84.5 Ų | 84.5 | 43% | 0.434 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.6 | -30.5 | -175.6 | -64.9 | -25.9 | 0 | 0 | 0 | 111.6 | K1839 E1845 S1846 D1847 | K1839-D1843 WeakPolarHBondContact O-CB 3.38Å; K1839-D1843 VanDerWaalsContact O-CG 3.27Å; K1839-D1843 PolarHBondContact O-N 3.01Å; D1843-E1845 VanDerWaalsContact C-N 3.26Å; D1843-E1845 PolarHBondContact O-N 2.82Å; D1843-S1846 WeakPolarHBondContact CA-OG 3.36Å; D1843-S1846 WeakPolarHBondContact O-CA 3.31Å; D1843-S1846 WeakPolarHBondContact O-CB 3.4Å; D1843-S1846 PolarHBondContact O-N 2.93Å; D1843-S1846 VanDerWaalsContact O-N 3.16Å; D1843-S1846 PolarHBondContact O-OG 2.92Å; D1843-D1847 PolarHBondContact O-N 3.19Å |
| 1844 | N | 47.4 | Very low | 50.1 | Low | 88.5 Ų | 88.5 | 88.5 Ų | 88.5 | 47% | 0.473 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.8 | -12.1 | 173.8 | -88.2 | -29.8 | 0 | 0 | 0 | 114.7 | L1840 I1842 S1846 D1847 K1848 | L1840-N1844 WeakPolarHBondContact O-CB 3.4Å; L1840-N1844 PolarHBondContact O-ND2 2.93Å; L1840-N1844 PolarHBondContact O-OD1 3.39Å; I1842-N1844 VanDerWaalsContact C-N 3.3Å; I1842-N1844 PolarHBondContact O-N 2.97Å; N1844-S1846 VanDerWaalsContact C-N 3.34Å; N1844-S1846 PolarHBondContact O-N 3.2Å; N1844-D1847 PolarHBondContact O-N 3.06Å; N1844-K1848 WeakPolarHBondContact O-CD 3.43Å; N1844-K1848 WeakPolarHBondContact O-CG 3.42Å; N1844-K1848 PolarHBondContact O-NZ 2.97Å |
| 1845 | E | 45.2 | Very low | 48.4 | Very low | 139 Ų | 139 | 94.8 Ų | 94.8 | 65% | 0.65 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -82.9 | -28.7 | 168.2 | -72.6 | -163.1 | 162.4 | 0 | 0 | 112 | V1841 I1842 D1843 D1847 K1848 A1849 R2268 | V1841-E1845 PolarHBondContact O-N 2.78Å; I1842-E1845 PolarHBondContact O-N 3.05Å; D1843-E1845 VanDerWaalsContact C-N 3.26Å; D1843-E1845 PolarHBondContact O-N 2.82Å; E1845-D1847 PolarHBondContact O-N 3.5Å; E1845-K1848 PolarHBondContact O-N 2.9Å; E1845-A1849 WeakPolarHBondContact O-CB 3.3Å; E1845-A1849 PolarHBondContact O-N 3.09Å; E1845-R2268 IonicContact OE1-CZ 2.72Å; E1845-R2268 IonicContact OE1-NH1 3.2Å; E1845-R2268 PolarHBondContact OE1-NH1 2.89Å; E1845-R2268 IonicContact OE1-NH2 3.57Å; E1845-R2268 PolarHBondContact OE1-NH2 3.31Å |
| 1846 | S | 44.6 | Very low | 47 | Very low | 62.25 Ų | 62.25 | 98.9 Ų | 98.9 | 44% | 0.435 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71.6 | -23.3 | 173.9 | 54.2 | 0 | 0 | 0 | 0 | 112.7 | I1842 D1843 N1844 K1848 A1849 L1850 | I1842-S1846 PolarHBondContact O-N 3.19Å; D1843-S1846 WeakPolarHBondContact CA-OG 3.36Å; D1843-S1846 WeakPolarHBondContact O-CA 3.31Å; D1843-S1846 WeakPolarHBondContact O-CB 3.4Å; D1843-S1846 PolarHBondContact O-N 2.93Å; D1843-S1846 VanDerWaalsContact O-N 3.16Å; D1843-S1846 PolarHBondContact O-OG 2.92Å; N1844-S1846 VanDerWaalsContact C-N 3.34Å; N1844-S1846 PolarHBondContact O-N 3.2Å; S1846-K1848 VanDerWaalsContact C-N 3.31Å; S1846-K1848 PolarHBondContact O-N 2.89Å; S1846-A1849 CarbonylContact O-C 3.56Å; S1846-A1849 WeakPolarHBondContact O-CA 3.42Å; S1846-A1849 WeakPolarHBondContact O-CB 3.41Å; S1846-A1849 PolarHBondContact O-N 3.02Å; S1846-A1849 VanDerWaalsContact O-N 3.1Å; S1846-L1850 WeakPolarHBondContact O-CB 3.42Å; S1846-L1850 WeakPolarHBondContact O-CG 3.4Å; S1846-L1850 PolarHBondContact O-N 3.02Å |
| 1847 | D | 44.8 | Very low | 45.6 | Very low | 85 Ų | 85 | 103.5 Ų | 103.5 | 46% | 0.455 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -12.1 | 177.7 | -74.6 | -13.6 | 0 | 0 | 0 | 112.8 | D1843 N1844 E1845 A1849 L1850 N1851 | D1843-D1847 PolarHBondContact O-N 3.19Å; N1844-D1847 PolarHBondContact O-N 3.06Å; E1845-D1847 PolarHBondContact O-N 3.5Å; D1847-A1849 VanDerWaalsContact C-N 3.3Å; D1847-A1849 PolarHBondContact O-N 2.99Å; D1847-L1850 PolarHBondContact O-N 3.44Å; D1847-L1850 WeakPolarHBondContact OD1-CD1 3.38Å; D1847-N1851 WeakPolarHBondContact O-CB 3.23Å; D1847-N1851 VanDerWaalsContact O-CG 3.26Å; D1847-N1851 PolarHBondContact O-N 2.83Å; D1847-N1851 PolarHBondContact O-ND2 3.12Å |
| 1848 | K | 44 | Very low | 44.4 | Very low | 160.25 Ų | 160.25 | 110.7 Ų | 110.7 | 70% | 0.697 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -78.2 | -21.4 | 166.2 | -73 | -174.7 | 179.8 | 164.4 | 0 | 112.5 | N1844 E1845 S1846 A1852 D2265 | N1844-K1848 WeakPolarHBondContact O-CD 3.43Å; N1844-K1848 WeakPolarHBondContact O-CG 3.42Å; N1844-K1848 PolarHBondContact O-NZ 2.97Å; E1845-K1848 PolarHBondContact O-N 2.9Å; S1846-K1848 VanDerWaalsContact C-N 3.31Å; S1846-K1848 PolarHBondContact O-N 2.89Å; K1848-A1852 VanDerWaalsContact O-CB 3.31Å; K1848-A1852 WeakPolarHBondContact O-CB 3.5Å; K1848-A1852 PolarHBondContact O-N 2.86Å; K1848-D2265 IonicContact NZ-OD1 2.74Å |
| 1849 | A | 41.4 | Very low | 43.2 | Very low | 67 Ų | 67 | 115.6 Ų | 115.6 | 55% | 0.554 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -82.9 | -31.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E1845 S1846 D1847 A1852 V1853 | E1845-A1849 WeakPolarHBondContact O-CB 3.3Å; E1845-A1849 PolarHBondContact O-N 3.09Å; S1846-A1849 CarbonylContact O-C 3.56Å; S1846-A1849 WeakPolarHBondContact O-CA 3.42Å; S1846-A1849 WeakPolarHBondContact O-CB 3.41Å; S1846-A1849 PolarHBondContact O-N 3.02Å; S1846-A1849 VanDerWaalsContact O-N 3.1Å; D1847-A1849 VanDerWaalsContact C-N 3.3Å; D1847-A1849 PolarHBondContact O-N 2.99Å; A1849-A1852 PolarHBondContact O-N 2.79Å; A1849-V1853 VanDerWaalsContact O-CG2 3.28Å; A1849-V1853 WeakPolarHBondContact O-CG2 3.38Å; A1849-V1853 PolarHBondContact O-N 3.39Å |
| 1850 | L | 42.7 | Very low | 41.9 | Very low | 110.75 Ų | 110.75 | 114.9 Ų | 114.9 | 58% | 0.58 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -37 | 179.9 | -75.6 | 165.8 | 0 | 0 | 0 | 112.8 | S1846 D1847 A1852 V1853 E1854 | S1846-L1850 WeakPolarHBondContact O-CB 3.42Å; S1846-L1850 WeakPolarHBondContact O-CG 3.4Å; S1846-L1850 PolarHBondContact O-N 3.02Å; D1847-L1850 PolarHBondContact O-N 3.44Å; D1847-L1850 WeakPolarHBondContact OD1-CD1 3.38Å; L1850-A1852 VanDerWaalsContact C-N 3.35Å; L1850-A1852 PolarHBondContact O-N 2.9Å; L1850-A1852 VanDerWaalsContact O-N 3.11Å; L1850-V1853 WeakPolarHBondContact O-CB 3.21Å; L1850-V1853 PolarHBondContact O-N 3.03Å; L1850-E1854 PolarHBondContact O-N 2.85Å |
| 1851 | N | 38.4 | Very low | 40.7 | Very low | 106.75 Ų | 106.75 | 116.8 Ų | 116.8 | 57% | 0.571 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -71.4 | -8 | 178.6 | -70.2 | -32.3 | 0 | 0 | 0 | 113.1 | D1847 V1853 E1854 Q1855 | D1847-N1851 WeakPolarHBondContact O-CB 3.23Å; D1847-N1851 VanDerWaalsContact O-CG 3.26Å; D1847-N1851 PolarHBondContact O-N 2.83Å; D1847-N1851 PolarHBondContact O-ND2 3.12Å; N1851-V1853 VanDerWaalsContact C-N 3.29Å; N1851-V1853 PolarHBondContact O-N 2.97Å; N1851-E1854 PolarHBondContact O-N 3.19Å; N1851-Q1855 WeakPolarHBondContact O-CG 3.4Å; N1851-Q1855 PolarHBondContact O-N 2.81Å |
| 1852 | A | 40 | Very low | 39.6 | Very low | 72.5 Ų | 72.5 | 119.6 Ų | 119.6 | 60% | 0.599 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -82.4 | -12.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | K1848 A1849 L1850 K1856 | K1848-A1852 VanDerWaalsContact O-CB 3.31Å; K1848-A1852 WeakPolarHBondContact O-CB 3.5Å; K1848-A1852 PolarHBondContact O-N 2.86Å; A1849-A1852 PolarHBondContact O-N 2.79Å; L1850-A1852 VanDerWaalsContact C-N 3.35Å; L1850-A1852 PolarHBondContact O-N 2.9Å; L1850-A1852 VanDerWaalsContact O-N 3.11Å; A1852-K1856 PolarHBondContact O-N 2.87Å |
| 1853 | V | 41.7 | Very low | 38.5 | Very low | 104 Ų | 104 | 123.6 Ų | 123.6 | 63% | 0.63 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -99.1 | -30.2 | 176.5 | -178.5 | 0 | 0 | 0 | 0 | 110.7 | A1849 L1850 N1851 | A1849-V1853 VanDerWaalsContact O-CG2 3.28Å; A1849-V1853 WeakPolarHBondContact O-CG2 3.38Å; A1849-V1853 PolarHBondContact O-N 3.39Å; L1850-V1853 WeakPolarHBondContact O-CB 3.21Å; L1850-V1853 PolarHBondContact O-N 3.03Å; N1851-V1853 VanDerWaalsContact C-N 3.29Å; N1851-V1853 PolarHBondContact O-N 2.97Å |
| 1854 | E | 38.6 | Very low | 37.4 | Very low | 145 Ų | 145 | 125.8 Ų | 125.8 | 68% | 0.678 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -59.1 | -5.1 | 179.7 | -68.9 | -170.8 | 168.9 | 0 | 0 | 114.2 | L1850 N1851 K1856 K1857 | L1850-E1854 PolarHBondContact O-N 2.85Å; N1851-E1854 PolarHBondContact O-N 3.19Å; E1854-K1856 VanDerWaalsContact C-N 3.32Å; E1854-K1856 PolarHBondContact O-N 3.06Å; E1854-K1857 PolarHBondContact O-N 2.84Å; E1854-K1857 VanDerWaalsContact O-N 3.09Å |
| 1855 | Q | 36.9 | Very low | 36.4 | Very low | 166 Ų | 166 | 130.5 Ų | 130.5 | 78% | 0.776 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | 23.5 | 158.2 | -72.9 | -165.4 | -2.8 | 0 | 0 | 115.3 | N1851 K1857 Q1858 | N1851-Q1855 WeakPolarHBondContact O-CG 3.4Å; N1851-Q1855 PolarHBondContact O-N 2.81Å; Q1855-K1857 PolarHBondContact O-N 2.82Å; Q1855-Q1858 PolarHBondContact O-N 3.44Å |
| 1856 | K | 34.8 | Very low | 35.6 | Very low | 190 Ų | 190 | 129.1 Ų | 129.1 | 83% | 0.826 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | 26.1 | 164.1 | -82.6 | -176.3 | 177.2 | 178.5 | 0 | 116.2 | A1852 E1854 | A1852-K1856 PolarHBondContact O-N 2.87Å; E1854-K1856 VanDerWaalsContact C-N 3.32Å; E1854-K1856 PolarHBondContact O-N 3.06Å |
| 1857 | K | 32.5 | Very low | 35 | Very low | 182.25 Ų | 182.25 | 133.4 Ų | 133.4 | 79% | 0.792 | 72% | 0.718 | S | S | * | * | trans | -134 | 55.7 | 158.3 | -84.3 | -175.8 | 177.3 | -179.1 | 0 | 113.5 | E1854 Q1855 D1859 | E1854-K1857 PolarHBondContact O-N 2.84Å; E1854-K1857 VanDerWaalsContact O-N 3.09Å; Q1855-K1857 PolarHBondContact O-N 2.82Å; K1857-D1859 PolarHBondContact O-N 2.95Å | ||
| 1858 | Q | 32 | Very low | 34.5 | Very low | 167.25 Ų | 167.25 | 135.7 Ų | 135.7 | 78% | 0.782 | 74% | 0.735 | S | S | * | * | trans | -119.5 | 81.4 | 157.5 | -79.6 | 177.8 | -17.3 | 0 | 0 | 112.9 | Q1855 A1860 | Q1855-Q1858 PolarHBondContact O-N 3.44Å; Q1858-A1860 PolarHBondContact O-N 2.86Å; Q1858-A1860 VanDerWaalsContact O-N 3.15Å | ||
| 1859 | D | 31.8 | Very low | 34.1 | Very low | 154.5 Ų | 154.5 | 135.5 Ų | 135.5 | 83% | 0.826 | 74% | 0.736 | S | S | * | * | trans | -119.4 | 141.1 | 153.9 | -86.7 | -36 | 0 | 0 | 0 | 111.1 | K1857 V1861 | K1857-D1859 PolarHBondContact O-N 2.95Å; D1859-V1861 PolarHBondContact O-N 2.78Å | ||
| 1860 | A | 31 | Very low | 34.1 | Very low | 94.5 Ų | 94.5 | 136.8 Ų | 136.8 | 78% | 0.781 | 73% | 0.734 | S | S | * | * | trans | 49.2 | 89.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q1858 A1862 | Q1858-A1860 PolarHBondContact O-N 2.86Å; Q1858-A1860 VanDerWaalsContact O-N 3.15Å; A1860-A1862 PolarHBondContact O-N 2.84Å | ||
| 1861 | V | 29.9 | Very low | 34.3 | Very low | 137.5 Ų | 137.5 | 134.3 Ų | 134.3 | 83% | 0.833 | 74% | 0.735 | S | S | * | * | trans | -106.1 | 106.2 | 141 | -179 | 0 | 0 | 0 | 0 | 109.6 | D1859 K1863 | D1859-V1861 PolarHBondContact O-N 2.78Å; V1861-K1863 PolarHBondContact O-N 3.28Å | ||
| 1862 | A | 28.8 | Very low | 34.7 | Very low | 92.25 Ų | 92.25 | 133.1 Ų | 133.1 | 76% | 0.762 | 74% | 0.735 | S | S | * | * | trans | -79 | 126.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | A1860 | A1860-A1862 PolarHBondContact O-N 2.84Š| ||
| 1863 | K | 30 | Very low | 35.3 | Very low | 188.5 Ų | 188.5 | 134 Ų | 134 | 82% | 0.82 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 141.1 | 167.3 | -75.6 | -179.5 | 177.9 | 176.5 | 0 | 109.4 | V1861 F1865 | V1861-K1863 PolarHBondContact O-N 3.28Å; K1863-F1865 PolarHBondContact O-N 2.82Å |
| 1864 | P | 28.7 | Very low | 36.1 | Very low | 128 Ų | 128 | 135.7 Ų | 135.7 | 83% | 0.831 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 126.7 | -175.7 | 31.8 | -31.4 | 0 | 0 | 0 | 111.3 | ||
| 1865 | F | 26.2 | Very low | 37 | Very low | 186.75 Ų | 186.75 | 134 Ų | 134 | 82% | 0.819 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 120.7 | 158.2 | -130.7 | -93.9 | 0 | 0 | 0 | 111.6 | K1863 Q1867 | K1863-F1865 PolarHBondContact O-N 2.82Å; F1865-Q1867 HydrophobicContact CD1-CG 3.99Å; F1865-Q1867 HydrophobicContact CE1-CG 3.8Å |
| 1866 | C | 29.3 | Very low | 38.1 | Very low | 111 Ų | 111 | 131 Ų | 131 | 75% | 0.75 | 71% | 0.711 | S | S | * | * | trans | -143.8 | 124.1 | 152.5 | -118.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1867 | Q | 31.4 | Very low | 39.4 | Very low | 151.25 Ų | 151.25 | 127.2 Ų | 127.2 | 71% | 0.707 | 70% | 0.697 | S | S | * | * | 68.2 | 93.2 | 121.9 | -64.3 | -177.8 | -19.7 | 0 | 0 | 115.6 | F1865 | F1865-Q1867 HydrophobicContact CD1-CG 3.99Å; F1865-Q1867 HydrophobicContact CE1-CG 3.8Å | |||
| 1868 | T | 33.6 | Very low | 40.8 | Very low | 132.75 Ų | 132.75 | 124.1 Ų | 124.1 | 81% | 0.814 | 68% | 0.683 | S | S | * | * | 136.3 | 85 | 121.3 | 19.6 | 0 | 0 | 0 | 0 | 114.4 | D1870 | T1868-D1870 VanDerWaalsContact C-N 3.29Å; T1868-D1870 PolarHBondContact O-N 2.84Å | |||
| 1869 | E | 35.7 | Very low | 42.1 | Very low | 156.25 Ų | 156.25 | 120.5 Ų | 120.5 | 73% | 0.73 | 67% | 0.669 | S | S | * | * | trans | -91.3 | 13.2 | 177.4 | -65.6 | -173.8 | 162.2 | 0 | 0 | 114.6 | G1871 S1872 I1873 | E1869-G1871 VanDerWaalsContact C-N 3.28Å; E1869-G1871 PolarHBondContact O-N 3.05Å; E1869-G1871 VanDerWaalsContact O-N 3.14Å; E1869-S1872 PolarHBondContact O-OG 3.16Å; E1869-I1873 HydrophobicContact CB-CD1 3.93Å; E1869-I1873 VanDerWaalsContact O-CB 3.28Å; E1869-I1873 WeakPolarHBondContact O-CB 3.4Å; E1869-I1873 WeakPolarHBondContact O-CD1 3.28Å; E1869-I1873 WeakPolarHBondContact O-CG1 3.09Å; E1869-I1873 PolarHBondContact O-N 3.02Å | ||
| 1870 | D | 41.2 | Very low | 43.7 | Very low | 94.5 Ų | 94.5 | 117.8 Ų | 117.8 | 51% | 0.505 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -86 | -2 | 173.8 | -83.6 | -3.6 | 0 | 0 | 0 | 115 | T1868 S1872 I1873 K1874 | T1868-D1870 VanDerWaalsContact C-N 3.29Å; T1868-D1870 PolarHBondContact O-N 2.84Å; D1870-S1872 VanDerWaalsContact C-N 3.26Å; D1870-S1872 PolarHBondContact O-N 3.07Å; D1870-I1873 HydrophobicContact CB-CB 4.19Å; D1870-I1873 PolarHBondContact O-N 3.03Å; D1870-I1873 WeakPolarHBondContact OD1-CB 3.3Å; D1870-I1873 VanDerWaalsContact OD1-CD1 3.23Å; D1870-I1873 WeakPolarHBondContact OD1-CD1 3.44Å; D1870-I1873 WeakPolarHBondContact OD1-CG1 3.38Å; D1870-K1874 HydrophobicContact CB-CD 4.25Å; D1870-K1874 VanDerWaalsContact O-CB 3.29Å; D1870-K1874 WeakPolarHBondContact O-CB 3.42Å; D1870-K1874 WeakPolarHBondContact O-CD 3.28Å; D1870-K1874 WeakPolarHBondContact O-CG 3.45Å; D1870-K1874 PolarHBondContact O-N 2.93Å; D1870-K1874 IonicContact OD2-NZ 2.64Å; D1870-K1874 PolarHBondContact OD2-NZ 2.97Å |
| 1871 | G | 48.1 | Very low | 45.2 | Very low | 59.25 Ų | 59.25 | 119.6 Ų | 119.6 | 61% | 0.611 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -69.7 | -38.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | E1869 K1874 L1875 | E1869-G1871 VanDerWaalsContact C-N 3.28Å; E1869-G1871 PolarHBondContact O-N 3.05Å; E1869-G1871 VanDerWaalsContact O-N 3.14Å; G1871-K1874 PolarHBondContact O-N 2.84Å; G1871-L1875 WeakPolarHBondContact O-CB 3.39Å; G1871-L1875 PolarHBondContact O-N 2.97Å; G1871-L1875 VanDerWaalsContact O-N 3.16Å |
| 1872 | S | 45.5 | Very low | 46.5 | Very low | 80.25 Ų | 80.25 | 118 Ų | 118 | 56% | 0.561 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -73.9 | -40.4 | 178.7 | 51.4 | 0 | 0 | 0 | 0 | 112.1 | E1869 D1870 K1874 L1875 L1876 | E1869-S1872 PolarHBondContact O-OG 3.16Å; D1870-S1872 VanDerWaalsContact C-N 3.26Å; D1870-S1872 PolarHBondContact O-N 3.07Å; S1872-K1874 PolarHBondContact O-N 2.93Å; S1872-L1875 PolarHBondContact O-N 2.95Å; S1872-L1876 VanDerWaalsContact O-CB 3.23Å; S1872-L1876 WeakPolarHBondContact O-CB 3.35Å; S1872-L1876 PolarHBondContact O-N 3.14Å |
| 1873 | I | 54.5 | Low | 47.8 | Very low | 91.25 Ų | 91.25 | 116.9 Ų | 116.9 | 47% | 0.468 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -69.1 | -38.6 | 179.9 | -62.5 | 177.4 | 0 | 0 | 0 | 111.1 | E1869 D1870 L1875 L1876 Q1877 | E1869-I1873 HydrophobicContact CB-CD1 3.93Å; E1869-I1873 VanDerWaalsContact O-CB 3.28Å; E1869-I1873 WeakPolarHBondContact O-CB 3.4Å; E1869-I1873 WeakPolarHBondContact O-CD1 3.28Å; E1869-I1873 WeakPolarHBondContact O-CG1 3.09Å; E1869-I1873 PolarHBondContact O-N 3.02Å; D1870-I1873 HydrophobicContact CB-CB 4.19Å; D1870-I1873 PolarHBondContact O-N 3.03Å; D1870-I1873 WeakPolarHBondContact OD1-CB 3.3Å; D1870-I1873 VanDerWaalsContact OD1-CD1 3.23Å; D1870-I1873 WeakPolarHBondContact OD1-CD1 3.44Å; D1870-I1873 WeakPolarHBondContact OD1-CG1 3.38Å; I1873-L1875 VanDerWaalsContact C-N 3.35Å; I1873-L1875 PolarHBondContact O-N 2.74Å; I1873-L1876 CarbonylContact O-C 3.59Å; I1873-L1876 PolarHBondContact O-N 3.06Å; I1873-Q1877 HydrophobicContact CG2-CG 4.28Å; I1873-Q1877 WeakPolarHBondContact O-CB 3.41Å; I1873-Q1877 WeakPolarHBondContact O-CG 3.15Å; I1873-Q1877 PolarHBondContact O-N 3.13Å |
| 1874 | K | 57.9 | Low | 48.7 | Very low | 140.75 Ų | 140.75 | 114.7 Ų | 114.7 | 61% | 0.612 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -66.8 | -36.6 | 173.9 | -76.4 | 177.4 | 179 | 170.6 | 0 | 112.8 | D1870 G1871 S1872 Q1877 K1878 | D1870-K1874 HydrophobicContact CB-CD 4.25Å; D1870-K1874 VanDerWaalsContact O-CB 3.29Å; D1870-K1874 WeakPolarHBondContact O-CB 3.42Å; D1870-K1874 WeakPolarHBondContact O-CD 3.28Å; D1870-K1874 WeakPolarHBondContact O-CG 3.45Å; D1870-K1874 PolarHBondContact O-N 2.93Å; D1870-K1874 IonicContact OD2-NZ 2.64Å; D1870-K1874 PolarHBondContact OD2-NZ 2.97Å; G1871-K1874 PolarHBondContact O-N 2.84Å; S1872-K1874 PolarHBondContact O-N 2.93Å; K1874-Q1877 PolarHBondContact O-N 3.42Å; K1874-K1878 VanDerWaalsContact O-CB 3.24Å; K1874-K1878 WeakPolarHBondContact O-CB 3.39Å; K1874-K1878 PolarHBondContact O-N 3.02Å; K1874-K1878 VanDerWaalsContact O-N 3.09Å |
| 1875 | L | 57.5 | Low | 49.6 | Very low | 109.25 Ų | 109.25 | 113.4 Ų | 113.4 | 57% | 0.572 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68 | -40.3 | 173.1 | -172.9 | 68.2 | 0 | 0 | 0 | 111.2 | G1871 S1872 I1873 K1878 L1879 | G1871-L1875 WeakPolarHBondContact O-CB 3.39Å; G1871-L1875 PolarHBondContact O-N 2.97Å; G1871-L1875 VanDerWaalsContact O-N 3.16Å; S1872-L1875 PolarHBondContact O-N 2.95Å; I1873-L1875 VanDerWaalsContact C-N 3.35Å; I1873-L1875 PolarHBondContact O-N 2.74Å; L1875-K1878 PolarHBondContact O-N 3.17Å; L1875-L1879 HydrophobicContact CG-CD1 4.12Å; L1875-L1879 WeakPolarHBondContact O-CB 3.29Å; L1875-L1879 VanDerWaalsContact O-CG 3.23Å; L1875-L1879 WeakPolarHBondContact O-CG 3.34Å; L1875-L1879 PolarHBondContact O-N 3.08Å |
| 1876 | L | 59.1 | Low | 50.1 | Low | 102.25 Ų | 102.25 | 111.8 Ų | 111.8 | 54% | 0.535 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.7 | -41.1 | 177.3 | -164.5 | 75.7 | 0 | 0 | 0 | 111.8 | S1872 I1873 K1878 L1879 I1880 | S1872-L1876 VanDerWaalsContact O-CB 3.23Å; S1872-L1876 WeakPolarHBondContact O-CB 3.35Å; S1872-L1876 PolarHBondContact O-N 3.14Å; I1873-L1876 CarbonylContact O-C 3.59Å; I1873-L1876 PolarHBondContact O-N 3.06Å; L1876-K1878 VanDerWaalsContact C-N 3.34Å; L1876-L1879 CarbonylContact O-C 3.52Å; L1876-L1879 PolarHBondContact O-N 2.96Å; L1876-I1880 HydrophobicContact CD2-CD1 4.22Å; L1876-I1880 HydrophobicContact CG-CD1 3.97Å; L1876-I1880 HydrophobicContact CG-CG1 4.47Å; L1876-I1880 WeakPolarHBondContact O-CB 3.36Å; L1876-I1880 WeakPolarHBondContact O-CD1 3.38Å; L1876-I1880 VanDerWaalsContact O-CG1 3.23Å; L1876-I1880 WeakPolarHBondContact O-CG1 3.38Å; L1876-I1880 PolarHBondContact O-N 3.16Å |
| 1877 | Q | 63.5 | Low | 50.7 | Low | 111 Ų | 111 | 112.4 Ų | 112.4 | 52% | 0.519 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -61.3 | -45.3 | 172.9 | -90.7 | -179.3 | -49.7 | 0 | 0 | 111 | I1873 K1874 L1879 I1880 E1881 | I1873-Q1877 HydrophobicContact CG2-CG 4.28Å; I1873-Q1877 WeakPolarHBondContact O-CB 3.41Å; I1873-Q1877 WeakPolarHBondContact O-CG 3.15Å; I1873-Q1877 PolarHBondContact O-N 3.13Å; K1874-Q1877 PolarHBondContact O-N 3.42Å; Q1877-L1879 VanDerWaalsContact C-N 3.32Å; Q1877-L1879 PolarHBondContact O-N 3.07Å; Q1877-I1880 PolarHBondContact O-N 2.96Å; Q1877-I1880 VanDerWaalsContact O-N 3.07Å; Q1877-E1881 WeakPolarHBondContact O-CB 3.43Å; Q1877-E1881 VanDerWaalsContact O-CG 3.29Å; Q1877-E1881 WeakPolarHBondContact O-CG 3.33Å; Q1877-E1881 PolarHBondContact O-N 3.12Å |
| 1878 | K | 60.4 | Low | 51 | Low | 117.75 Ų | 117.75 | 109.7 Ų | 109.7 | 51% | 0.512 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -61.2 | -40.5 | 174.1 | -123.9 | -179.1 | 174.2 | -128.6 | 0 | 112.5 | K1874 L1875 L1876 I1880 E1881 E1882 | K1874-K1878 VanDerWaalsContact O-CB 3.24Å; K1874-K1878 WeakPolarHBondContact O-CB 3.39Å; K1874-K1878 PolarHBondContact O-N 3.02Å; K1874-K1878 VanDerWaalsContact O-N 3.09Å; L1875-K1878 PolarHBondContact O-N 3.17Å; L1876-K1878 VanDerWaalsContact C-N 3.34Å; K1878-I1880 VanDerWaalsContact C-N 3.34Å; K1878-I1880 PolarHBondContact O-N 3.45Å; K1878-E1881 PolarHBondContact O-N 3.16Å; K1878-E1882 IonicContact NZ-OE1 2.67Å; K1878-E1882 PolarHBondContact NZ-OE1 2.77Å; K1878-E1882 VanDerWaalsContact O-CB 3.25Å; K1878-E1882 WeakPolarHBondContact O-CB 3.39Å; K1878-E1882 VanDerWaalsContact O-CG 3.26Å; K1878-E1882 WeakPolarHBondContact O-CG 3.4Å; K1878-E1882 PolarHBondContact O-N 2.93Å |
| 1879 | L | 59.8 | Low | 51.1 | Low | 91.5 Ų | 91.5 | 106.9 Ų | 106.9 | 48% | 0.479 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -69.3 | -29.4 | 175.4 | -75.8 | 168 | 0 | 0 | 0 | 112.8 | L1875 L1876 Q1877 A1883 | L1875-L1879 HydrophobicContact CG-CD1 4.12Å; L1875-L1879 WeakPolarHBondContact O-CB 3.29Å; L1875-L1879 VanDerWaalsContact O-CG 3.23Å; L1875-L1879 WeakPolarHBondContact O-CG 3.34Å; L1875-L1879 PolarHBondContact O-N 3.08Å; L1876-L1879 CarbonylContact O-C 3.52Å; L1876-L1879 PolarHBondContact O-N 2.96Å; Q1877-L1879 VanDerWaalsContact C-N 3.32Å; Q1877-L1879 PolarHBondContact O-N 3.07Å; L1879-A1883 WeakPolarHBondContact O-CA 3.44Å; L1879-A1883 WeakPolarHBondContact O-CB 3.34Å; L1879-A1883 PolarHBondContact O-N 2.84Å |
| 1880 | I | 65.7 | Low | 51.2 | Low | 98.25 Ų | 98.25 | 108.6 Ų | 108.6 | 50% | 0.504 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -76.5 | -38.6 | 174.8 | -71.3 | 164.4 | 0 | 0 | 0 | 110.6 | L1876 Q1877 K1878 A1883 N1884 | L1876-I1880 HydrophobicContact CD2-CD1 4.22Å; L1876-I1880 HydrophobicContact CG-CD1 3.97Å; L1876-I1880 HydrophobicContact CG-CG1 4.47Å; L1876-I1880 WeakPolarHBondContact O-CB 3.36Å; L1876-I1880 WeakPolarHBondContact O-CD1 3.38Å; L1876-I1880 VanDerWaalsContact O-CG1 3.23Å; L1876-I1880 WeakPolarHBondContact O-CG1 3.38Å; L1876-I1880 PolarHBondContact O-N 3.16Å; Q1877-I1880 PolarHBondContact O-N 2.96Å; Q1877-I1880 VanDerWaalsContact O-N 3.07Å; K1878-I1880 VanDerWaalsContact C-N 3.34Å; K1878-I1880 PolarHBondContact O-N 3.45Å; I1880-A1883 PolarHBondContact O-N 3.39Å; I1880-N1884 PolarHBondContact O-N 2.95Å; I1880-N1884 VanDerWaalsContact O-N 3.11Å; I1880-N1884 PolarHBondContact O-ND2 2.9Å |
| 1881 | E | 62.3 | Low | 51.1 | Low | 131.5 Ų | 131.5 | 109.1 Ų | 109.1 | 61% | 0.614 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.1 | -44.1 | 170.8 | -72.8 | 171.1 | 177.5 | 0 | 0 | 110.9 | Q1877 K1878 A1883 N1884 T1885 | Q1877-E1881 WeakPolarHBondContact O-CB 3.43Å; Q1877-E1881 VanDerWaalsContact O-CG 3.29Å; Q1877-E1881 WeakPolarHBondContact O-CG 3.33Å; Q1877-E1881 PolarHBondContact O-N 3.12Å; K1878-E1881 PolarHBondContact O-N 3.16Å; E1881-A1883 PolarHBondContact O-N 2.87Å; E1881-N1884 CarbonylContact O-C 3.58Å; E1881-N1884 PolarHBondContact O-N 3.13Å; E1881-N1884 VanDerWaalsContact O-N 3.14Å; E1881-T1885 PolarHBondContact O-N 2.81Å |
| 1882 | E | 57.9 | Low | 50.7 | Low | 103.25 Ų | 103.25 | 113.2 Ų | 113.2 | 48% | 0.482 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -74.2 | -28.3 | 177.6 | -75 | 174.9 | 179.6 | 0 | 0 | 113.2 | K1878 N1884 T1885 K1886 | K1878-E1882 IonicContact NZ-OE1 2.67Å; K1878-E1882 PolarHBondContact NZ-OE1 2.77Å; K1878-E1882 VanDerWaalsContact O-CB 3.25Å; K1878-E1882 WeakPolarHBondContact O-CB 3.39Å; K1878-E1882 VanDerWaalsContact O-CG 3.26Å; K1878-E1882 WeakPolarHBondContact O-CG 3.4Å; K1878-E1882 PolarHBondContact O-N 2.93Å; E1882-N1884 VanDerWaalsContact C-N 3.34Å; E1882-N1884 PolarHBondContact O-N 3.1Å; E1882-T1885 VanDerWaalsContact CA-OG1 3.26Å; E1882-T1885 WeakPolarHBondContact CA-OG1 3.44Å; E1882-T1885 CarbonylContact O-C 3.57Å; E1882-T1885 WeakPolarHBondContact O-CA 3.36Å; E1882-T1885 PolarHBondContact O-N 2.9Å; E1882-T1885 VanDerWaalsContact O-O 3.11Å; E1882-T1885 PolarHBondContact O-OG1 3.13Å; E1882-K1886 PolarHBondContact O-N 3.38Å; E1882-K1886 VanDerWaalsContact O-N 3.17Å |
| 1883 | A | 56.3 | Low | 50.2 | Low | 70 Ų | 70 | 116.8 Ų | 116.8 | 58% | 0.579 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63.2 | -30 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1879 I1880 E1881 T1885 K1886 | L1879-A1883 WeakPolarHBondContact O-CA 3.44Å; L1879-A1883 WeakPolarHBondContact O-CB 3.34Å; L1879-A1883 PolarHBondContact O-N 2.84Å; I1880-A1883 PolarHBondContact O-N 3.39Å; E1881-A1883 PolarHBondContact O-N 2.87Å; A1883-T1885 PolarHBondContact O-N 3.27Å; A1883-K1886 WeakPolarHBondContact O-CB 3.46Å; A1883-K1886 PolarHBondContact O-N 2.93Å |
| 1884 | N | 48.5 | Very low | 49.4 | Very low | 141.25 Ų | 141.25 | 116.1 Ų | 116.1 | 76% | 0.755 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -13.6 | 175.4 | -73.3 | -41.8 | 0 | 0 | 0 | 113.2 | I1880 E1881 E1882 K1886 | I1880-N1884 PolarHBondContact O-N 2.95Å; I1880-N1884 VanDerWaalsContact O-N 3.11Å; I1880-N1884 PolarHBondContact O-ND2 2.9Å; E1881-N1884 CarbonylContact O-C 3.58Å; E1881-N1884 PolarHBondContact O-N 3.13Å; E1881-N1884 VanDerWaalsContact O-N 3.14Å; E1882-N1884 VanDerWaalsContact C-N 3.34Å; E1882-N1884 PolarHBondContact O-N 3.1Å; N1884-K1886 PolarHBondContact O-N 2.91Å |
| 1885 | T | 46.3 | Very low | 48.2 | Very low | 101.25 Ų | 101.25 | 119.4 Ų | 119.4 | 62% | 0.621 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | 41.5 | 176.2 | 61.6 | 0 | 0 | 0 | 0 | 113.2 | E1881 E1882 A1883 S1887 | E1881-T1885 PolarHBondContact O-N 2.81Å; E1882-T1885 VanDerWaalsContact CA-OG1 3.26Å; E1882-T1885 WeakPolarHBondContact CA-OG1 3.44Å; E1882-T1885 CarbonylContact O-C 3.57Å; E1882-T1885 WeakPolarHBondContact O-CA 3.36Å; E1882-T1885 PolarHBondContact O-N 2.9Å; E1882-T1885 VanDerWaalsContact O-O 3.11Å; E1882-T1885 PolarHBondContact O-OG1 3.13Å; A1883-T1885 PolarHBondContact O-N 3.27Å; T1885-S1887 VanDerWaalsContact C-N 3.34Å; T1885-S1887 PolarHBondContact O-N 3.15Å |
| 1886 | K | 38.2 | Very low | 47.3 | Very low | 153.75 Ų | 153.75 | 118.8 Ų | 118.8 | 67% | 0.668 | 63% | 0.631 | S | S | * | * | trans | -37 | 106.1 | 171.5 | -70 | 180 | 179.7 | 174.7 | 0 | 112.3 | E1882 A1883 N1884 V1888 Y1890 E1893 | E1882-K1886 PolarHBondContact O-N 3.38Å; E1882-K1886 VanDerWaalsContact O-N 3.17Å; A1883-K1886 WeakPolarHBondContact O-CB 3.46Å; A1883-K1886 PolarHBondContact O-N 2.93Å; N1884-K1886 PolarHBondContact O-N 2.91Å; K1886-V1888 HydrophobicContact CB-CG2 3.58Å; K1886-V1888 HydrophobicContact CD-CG2 4.05Å; K1886-V1888 HydrophobicContact CG-CG2 4.48Å; K1886-V1888 PolarHBondContact O-N 3.11Å; K1886-V1888 VanDerWaalsContact O-N 3.16Å; K1886-Y1890 HydrophobicContact CD-CD2 4.03Å; K1886-Y1890 HydrophobicContact CD-CE2 3.98Å; K1886-E1893 IonicContact NZ-OE1 2.63Å; K1886-E1893 PolarHBondContact NZ-OE1 2.82Å; K1886-E1893 IonicContact NZ-OE2 3.98Å | ||
| 1887 | S | 41.5 | Very low | 46.5 | Very low | 123 Ų | 123 | 118.2 Ų | 118.2 | 86% | 0.86 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -66.2 | 54.1 | 163.9 | 58 | 0 | 0 | 0 | 0 | 111.4 | T1885 A1889 | T1885-S1887 VanDerWaalsContact C-N 3.34Å; T1885-S1887 PolarHBondContact O-N 3.15Å; S1887-A1889 PolarHBondContact O-N 3.36Å |
| 1888 | V | 38.4 | Very low | 45.6 | Very low | 95.5 Ų | 95.5 | 116 Ų | 116 | 58% | 0.579 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -104.9 | 108.3 | 171.2 | -177.6 | 0 | 0 | 0 | 0 | 106.6 | K1886 Y1890 E1892 | K1886-V1888 HydrophobicContact CB-CG2 3.58Å; K1886-V1888 HydrophobicContact CD-CG2 4.05Å; K1886-V1888 HydrophobicContact CG-CG2 4.48Å; K1886-V1888 PolarHBondContact O-N 3.11Å; K1886-V1888 VanDerWaalsContact O-N 3.16Å; V1888-Y1890 HydrophobicContact CG1-CD2 4.21Å; V1888-Y1890 HydrophobicContact CG1-CG 4.45Å; V1888-Y1890 PolarHBondContact O-N 2.9Å; V1888-E1892 HydrophobicContact CG1-CB 3.79Å; V1888-E1892 HydrophobicContact CG1-CG 4.37Å; V1888-E1892 WeakPolarHBondContact CG1-OE2 3.25Å |
| 1889 | A | 35.5 | Very low | 45 | Very low | 73.25 Ų | 73.25 | 113.3 Ų | 113.3 | 61% | 0.605 | 62% | 0.623 | S | S | * | * | trans | -58.9 | 122.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | S1887 C1891 E1892 | S1887-A1889 PolarHBondContact O-N 3.36Å; A1889-C1891 VanDerWaalsContact C-N 3.29Å; A1889-C1891 PolarHBondContact O-N 3.25Å; A1889-E1892 PolarHBondContact O-N 3.25Å; A1889-E1892 VanDerWaalsContact O-N 3.09Å | ||
| 1890 | Y | 36.5 | Very low | 44.4 | Very low | 191.5 Ų | 191.5 | 114.1 Ų | 114.1 | 75% | 0.751 | 63% | 0.628 | S | S | * | * | trans | -61.3 | 76.7 | 171.6 | -108.6 | -95.9 | 0 | 0 | 0 | 108.2 | K1886 V1888 E1892 | K1886-Y1890 HydrophobicContact CD-CD2 4.03Å; K1886-Y1890 HydrophobicContact CD-CE2 3.98Å; V1888-Y1890 HydrophobicContact CG1-CD2 4.21Å; V1888-Y1890 HydrophobicContact CG1-CG 4.45Å; V1888-Y1890 PolarHBondContact O-N 2.9Å; Y1890-E1892 PolarHBondContact O-N 3.07Å; Y1890-E1892 VanDerWaalsContact O-N 3.12Å | ||
| 1891 | C | 39.8 | Very low | 43.6 | Very low | 106.25 Ų | 106.25 | 117.5 Ų | 117.5 | 72% | 0.718 | 63% | 0.634 | S | S | * | * | trans | -66.8 | 92.4 | 168.3 | -66.1 | 0 | 0 | 0 | 0 | 108.4 | A1889 E1893 | A1889-C1891 VanDerWaalsContact C-N 3.29Å; A1889-C1891 PolarHBondContact O-N 3.25Å; C1891-E1893 PolarHBondContact O-N 3Å | ||
| 1892 | E | 39.1 | Very low | 43.2 | Very low | 143.5 Ų | 143.5 | 115.2 Ų | 115.2 | 67% | 0.671 | 62% | 0.622 | S | S | * | * | trans | -64.9 | 105.9 | 179.5 | -84.5 | 167.4 | 169.8 | 0 | 0 | 110.1 | V1888 A1889 Y1890 V1894 | V1888-E1892 HydrophobicContact CG1-CB 3.79Å; V1888-E1892 HydrophobicContact CG1-CG 4.37Å; V1888-E1892 WeakPolarHBondContact CG1-OE2 3.25Å; A1889-E1892 PolarHBondContact O-N 3.25Å; A1889-E1892 VanDerWaalsContact O-N 3.09Å; Y1890-E1892 PolarHBondContact O-N 3.07Å; Y1890-E1892 VanDerWaalsContact O-N 3.12Å; E1892-V1894 VanDerWaalsContact C-N 3.3Å; E1892-V1894 WeakPolarHBondContact O-CG2 3.35Å; E1892-V1894 PolarHBondContact O-N 2.99Å | ||
| 1893 | E | 36 | Very low | 43.1 | Very low | 155.75 Ų | 155.75 | 114.6 Ų | 114.6 | 73% | 0.728 | 62% | 0.615 | S | S | * | * | trans | -89 | 84.1 | 169.1 | -78.8 | -167.1 | 152.1 | 0 | 0 | 110.3 | K1886 C1891 R1895 | K1886-E1893 IonicContact NZ-OE1 2.63Å; K1886-E1893 PolarHBondContact NZ-OE1 2.82Å; K1886-E1893 IonicContact NZ-OE2 3.98Å; C1891-E1893 PolarHBondContact O-N 3Å; E1893-R1895 PolarHBondContact O-N 3.06Å | ||
| 1894 | V | 36.6 | Very low | 43.1 | Very low | 77.5 Ų | 77.5 | 116.7 Ų | 116.7 | 47% | 0.47 | 61% | 0.613 | S | S | . | * | trans | -96.7 | 112.1 | 170.7 | -175 | 0 | 0 | 0 | 0 | 108.7 | E1892 A1896 D1898 H2425 | E1892-V1894 VanDerWaalsContact C-N 3.3Å; E1892-V1894 WeakPolarHBondContact O-CG2 3.35Å; E1892-V1894 PolarHBondContact O-N 2.99Å; V1894-A1896 PolarHBondContact O-N 3.2Å; V1894-D1898 HydrophobicContact CG1-CB 4.19Å; V1894-D1898 WeakPolarHBondContact CG1-OD1 3.37Å; V1894-H2425 HydrophobicContact CB-CB 4.22Å; V1894-H2425 VanDerWaalsContact O-CB 3.23Å; V1894-H2425 WeakPolarHBondContact O-CB 3.41Å | ||
| 1895 | R | 33 | Very low | 43.9 | Very low | 210 Ų | 210 | 115.1 Ų | 115.1 | 79% | 0.792 | 61% | 0.605 | S | S | * | * | trans | -101.5 | 130 | 171.3 | -69.2 | -177.2 | 176.5 | 159.6 | 1.1 | 109.6 | E1893 S1897 D1898 | E1893-R1895 PolarHBondContact O-N 3.06Å; R1895-S1897 PolarHBondContact O-N 3.22Å; R1895-D1898 PolarHBondContact N-OD2 3.01Å; R1895-D1898 WeakPolarHBondContact O-CB 3.37Å; R1895-D1898 PolarHBondContact O-N 2.78Å; R1895-D1898 VanDerWaalsContact O-N 3.07Å | ||
| 1896 | A | 39.3 | Very low | 45.1 | Very low | 97.75 Ų | 97.75 | 112 Ų | 112 | 81% | 0.808 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | 1.8 | 16.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | V1894 D1898 | V1894-A1896 PolarHBondContact O-N 3.2Å; A1896-D1898 PolarHBondContact O-N 3.39Å |
| 1897 | S | 41.7 | Very low | 46.8 | Very low | 89 Ų | 89 | 107 Ų | 107 | 62% | 0.622 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -77.8 | 23.2 | 168 | 63.1 | 0 | 0 | 0 | 0 | 115.5 | R1895 | R1895-S1897 PolarHBondContact O-N 3.22Š|
| 1898 | D | 44 | Very low | 48.1 | Very low | 64.5 Ų | 64.5 | 101.5 Ų | 101.5 | 35% | 0.345 | 53% | 0.529 | S | S | . | . | G | 310 helix | trans | -112.3 | 17 | 177 | -77.6 | -37.7 | 0 | 0 | 0 | 113.5 | V1894 R1895 A1896 D1900 R1901 K1902 | V1894-D1898 HydrophobicContact CG1-CB 4.19Å; V1894-D1898 WeakPolarHBondContact CG1-OD1 3.37Å; R1895-D1898 PolarHBondContact N-OD2 3.01Å; R1895-D1898 WeakPolarHBondContact O-CB 3.37Å; R1895-D1898 PolarHBondContact O-N 2.78Å; R1895-D1898 VanDerWaalsContact O-N 3.07Å; A1896-D1898 PolarHBondContact O-N 3.39Å; D1898-D1900 VanDerWaalsContact C-N 3.29Å; D1898-D1900 PolarHBondContact O-N 3.15Å; D1898-R1901 HydrophobicContact CB-CB 4.25Å; D1898-R1901 PolarHBondContact O-N 2.85Å; D1898-R1901 VanDerWaalsContact O-N 3.1Å; D1898-R1901 VanDerWaalsContact OD1-CD 3.32Å; D1898-R1901 WeakPolarHBondContact OD1-CD 3.31Å; D1898-R1901 IonicContact OD1-CZ 3.25Å; D1898-R1901 IonicContact OD1-NE 3.41Å; D1898-R1901 IonicContact OD1-NH1 3.34Å; D1898-R1901 PolarHBondContact OD1-NH1 2.83Å; D1898-R1901 VanDerWaalsContact OD1-NH1 3.07Å; D1898-K1902 PolarHBondContact O-N 3.24Å; D1898-K1902 VanDerWaalsContact O-N 3.14Å |
| 1899 | S | 47.6 | Very low | 49.8 | Very low | 61.5 Ų | 61.5 | 98.2 Ų | 98.2 | 43% | 0.43 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 179.1 | 54.8 | 0 | 0 | 0 | 0 | 112.9 | R1901 K1902 R1903 | S1899-R1901 VanDerWaalsContact C-N 3.29Å; S1899-R1901 PolarHBondContact O-N 2.95Å; S1899-K1902 PolarHBondContact O-N 3.09Å; S1899-R1903 PolarHBondContact O-N 2.93Å |
| 1900 | D | 47.7 | Very low | 51.6 | Low | 108.25 Ų | 108.25 | 98.7 Ų | 98.7 | 58% | 0.579 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -75.1 | -29.8 | -175.4 | -70.9 | -12.8 | 0 | 0 | 0 | 112.3 | D1898 R1903 H1904 | D1898-D1900 VanDerWaalsContact C-N 3.29Å; D1898-D1900 PolarHBondContact O-N 3.15Å; D1900-R1903 WeakPolarHBondContact O-CB 3.39Å; D1900-R1903 PolarHBondContact O-N 2.91Å; D1900-R1903 IonicContact OD1-NH1 3.91Å; D1900-R1903 PolarHBondContact OD1-NH1 3.12Å; D1900-H1904 PolarHBondContact O-CD2 2.87Å; D1900-H1904 VanDerWaalsContact O-CD2 3.24Å; D1900-H1904 PolarHBondContact O-N 2.79Å |
| 1901 | R | 48.5 | Very low | 53.3 | Low | 169 Ų | 169 | 90.9 Ų | 90.9 | 64% | 0.638 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -72.8 | -41.9 | 179.3 | -71.2 | -173.5 | 174.5 | 170.1 | -7.3 | 112.6 | D1898 S1899 R1903 H1904 D1905 | D1898-R1901 HydrophobicContact CB-CB 4.25Å; D1898-R1901 PolarHBondContact O-N 2.85Å; D1898-R1901 VanDerWaalsContact O-N 3.1Å; D1898-R1901 VanDerWaalsContact OD1-CD 3.32Å; D1898-R1901 WeakPolarHBondContact OD1-CD 3.31Å; D1898-R1901 IonicContact OD1-CZ 3.25Å; D1898-R1901 IonicContact OD1-NE 3.41Å; D1898-R1901 IonicContact OD1-NH1 3.34Å; D1898-R1901 PolarHBondContact OD1-NH1 2.83Å; D1898-R1901 VanDerWaalsContact OD1-NH1 3.07Å; S1899-R1901 VanDerWaalsContact C-N 3.29Å; S1899-R1901 PolarHBondContact O-N 2.95Å; R1901-R1903 VanDerWaalsContact C-N 3.28Å; R1901-R1903 PolarHBondContact O-N 3.19Å; R1901-R1903 VanDerWaalsContact O-N 3.14Å; R1901-H1904 CarbonylContact O-C 3.55Å; R1901-H1904 WeakPolarHBondContact O-CA 3.31Å; R1901-H1904 WeakPolarHBondContact O-CB 3.04Å; R1901-H1904 PolarHBondContact O-N 3.11Å; R1901-D1905 PolarHBondContact O-N 3.18Å; R1901-D1905 VanDerWaalsContact O-N 3.14Å |
| 1902 | K | 54.2 | Low | 54.8 | Low | 83.25 Ų | 83.25 | 86.2 Ų | 86.2 | 36% | 0.362 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.8 | -25.1 | 178.8 | -73.9 | -167.5 | 175.4 | -167.6 | 0 | 113.4 | D1898 S1899 H1904 D1905 L1906 E2396 N2398 | D1898-K1902 PolarHBondContact O-N 3.24Å; D1898-K1902 VanDerWaalsContact O-N 3.14Å; S1899-K1902 PolarHBondContact O-N 3.09Å; K1902-H1904 VanDerWaalsContact C-N 3.31Å; K1902-H1904 PolarHBondContact O-N 3.25Å; K1902-D1905 PolarHBondContact O-N 3.04Å; K1902-L1906 PolarHBondContact O-N 3.03Å; K1902-E2396 IonicContact NZ-OE1 3.58Å; K1902-E2396 PolarHBondContact NZ-OE1 3.43Å; K1902-E2396 IonicContact NZ-OE2 3.15Å; K1902-E2396 PolarHBondContact NZ-OE2 2.9Å; K1902-N2398 PolarHBondContact NZ-OD1 2.93Å; K1902-N2398 VanDerWaalsContact NZ-OD1 3.08Å |
| 1903 | R | 56.2 | Low | 56.3 | Low | 90.5 Ų | 90.5 | 84.8 Ų | 84.8 | 34% | 0.342 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.5 | -36.3 | 174.7 | -114.8 | -179.2 | 172.6 | 164.1 | -7.5 | 112.1 | S1899 D1900 R1901 D1905 L1906 I1909 E2174 I2214 E2356 | S1899-R1903 PolarHBondContact O-N 2.93Å; D1900-R1903 WeakPolarHBondContact O-CB 3.39Å; D1900-R1903 PolarHBondContact O-N 2.91Å; D1900-R1903 IonicContact OD1-NH1 3.91Å; D1900-R1903 PolarHBondContact OD1-NH1 3.12Å; R1901-R1903 VanDerWaalsContact C-N 3.28Å; R1901-R1903 PolarHBondContact O-N 3.19Å; R1901-R1903 VanDerWaalsContact O-N 3.14Å; R1903-D1905 VanDerWaalsContact C-N 3.29Å; R1903-D1905 PolarHBondContact O-N 3.08Å; R1903-L1906 WeakPolarHBondContact O-CB 3.38Å; R1903-L1906 PolarHBondContact O-N 3.1Å; R1903-I1909 HydrophobicContact CG-CD1 3.95Å; R1903-I1909 WeakPolarHBondContact O-CD1 3.4Å; R1903-E2174 IonicContact CZ-OE2 3.52Å; R1903-E2174 IonicContact NE-OE2 3.96Å; R1903-E2174 IonicContact NH2-OE1 3.9Å; R1903-E2174 IonicContact NH2-OE2 3.23Å; R1903-E2174 PolarHBondContact NH2-OE2 2.92Å; R1903-I2214 HydrophobicContact CG-CD1 4.41Å; R1903-E2356 VanDerWaalsContact CD-OE1 3.31Å; R1903-E2356 WeakPolarHBondContact CD-OE1 3.22Å; R1903-E2356 IonicContact CZ-OE1 2.88Å; R1903-E2356 VanDerWaalsContact CZ-OE1 3.28Å; R1903-E2356 IonicContact CZ-OE2 3.81Å; R1903-E2356 IonicContact NE-OE1 2.73Å; R1903-E2356 PolarHBondContact NE-OE1 3.07Å; R1903-E2356 IonicContact NH1-OE1 2.71Å; R1903-E2356 PolarHBondContact NH1-OE1 3.01Å; R1903-E2356 IonicContact NH1-OE2 3.16Å; R1903-E2356 PolarHBondContact NH1-OE2 3.04Å; R1903-E2356 VanDerWaalsContact NH1-OE2 3.09Å |
| 1904 | H | 57.2 | Low | 57.7 | Low | 114 Ų | 114 | 81.6 Ų | 81.6 | 53% | 0.528 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -77.4 | -15.5 | 179.5 | -72.1 | -68.9 | 0 | 0 | 0 | 114.6 | D1900 R1901 K1902 L1906 Q1910 Q1913 | D1900-H1904 PolarHBondContact O-CD2 2.87Å; D1900-H1904 VanDerWaalsContact O-CD2 3.24Å; D1900-H1904 PolarHBondContact O-N 2.79Å; R1901-H1904 CarbonylContact O-C 3.55Å; R1901-H1904 WeakPolarHBondContact O-CA 3.31Å; R1901-H1904 WeakPolarHBondContact O-CB 3.04Å; R1901-H1904 PolarHBondContact O-N 3.11Å; K1902-H1904 VanDerWaalsContact C-N 3.31Å; K1902-H1904 PolarHBondContact O-N 3.25Å; H1904-L1906 VanDerWaalsContact C-N 3.29Å; H1904-L1906 PolarHBondContact O-N 2.87Å; H1904-Q1910 VanDerWaalsContact O-CG 3.28Å; H1904-Q1910 WeakPolarHBondContact O-CG 3.39Å; H1904-Q1910 PolarHBondContact O-NE2 3.29Å; H1904-Q1913 PolarHBondContact ND1-OE1 3.43Å |
| 1905 | D | 64.7 | Low | 59 | Low | 109 Ų | 109 | 84.1 Ų | 84.1 | 58% | 0.583 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -11.6 | 176.7 | -64.6 | -32.8 | 0 | 0 | 0 | 113.4 | R1901 K1902 R1903 T1907 | R1901-D1905 PolarHBondContact O-N 3.18Å; R1901-D1905 VanDerWaalsContact O-N 3.14Å; K1902-D1905 PolarHBondContact O-N 3.04Å; R1903-D1905 VanDerWaalsContact C-N 3.29Å; R1903-D1905 PolarHBondContact O-N 3.08Å; D1905-T1907 PolarHBondContact O-N 3.32Å |
| 1906 | L | 72.3 | Confident | 60.6 | Low | 35.75 Ų | 35.75 | 75.8 Ų | 75.8 | 19% | 0.187 | 40% | 0.398 | C | S | . | . | trans | -67.2 | 121.7 | 175.6 | -68.2 | 174 | 0 | 0 | 0 | 110.7 | K1902 R1903 H1904 G1908 I1909 Q1910 T2212 I2214 E2352 L2380 | K1902-L1906 PolarHBondContact O-N 3.03Å; R1903-L1906 WeakPolarHBondContact O-CB 3.38Å; R1903-L1906 PolarHBondContact O-N 3.1Å; H1904-L1906 VanDerWaalsContact C-N 3.29Å; H1904-L1906 PolarHBondContact O-N 2.87Å; L1906-G1908 VanDerWaalsContact C-N 3.28Å; L1906-G1908 PolarHBondContact O-N 3.04Å; L1906-G1908 VanDerWaalsContact O-N 3.12Å; L1906-I1909 HydrophobicContact CB-CB 4.35Å; L1906-I1909 HydrophobicContact CB-CD1 4.23Å; L1906-I1909 HydrophobicContact CB-CG1 4.19Å; L1906-I1909 HydrophobicContact CD1-CD1 4.09Å; L1906-I1909 HydrophobicContact CD1-CG1 4.41Å; L1906-I1909 HydrophobicContact CG-CD1 4.48Å; L1906-I1909 WeakPolarHBondContact O-CA 3.41Å; L1906-I1909 WeakPolarHBondContact O-CB 3.39Å; L1906-I1909 PolarHBondContact O-N 3.1Å; L1906-Q1910 PolarHBondContact O-N 3.23Å; L1906-Q1910 VanDerWaalsContact O-N 3.09Å; L1906-T2212 HydrophobicContact CB-CG2 4.36Å; L1906-T2212 HydrophobicContact CD1-CG2 4.02Å; L1906-I2214 HydrophobicContact CD1-CD1 3.81Å; L1906-I2214 HydrophobicContact CD1-CG1 4.28Å; L1906-E2352 HydrophobicContact CD2-CB 4.48Å; L1906-L2380 HydrophobicContact CD2-CD1 3.77Å; L1906-L2380 HydrophobicContact CD2-CD2 4.4Å | ||
| 1907 | T | 71.9 | Confident | 61.8 | Low | 47.75 Ų | 47.75 | 72.1 Ų | 72.1 | 29% | 0.293 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.3 | -32.9 | -174.5 | 39.2 | 0 | 0 | 0 | 0 | 112.8 | D1905 I1909 Q1910 L1911 R2350 E2352 | D1905-T1907 PolarHBondContact O-N 3.32Å; T1907-I1909 VanDerWaalsContact C-N 3.33Å; T1907-I1909 PolarHBondContact O-N 3.12Å; T1907-Q1910 PolarHBondContact O-N 3.1Å; T1907-L1911 HydrophobicContact CG2-CD1 4.29Å; T1907-L1911 WeakPolarHBondContact O-CB 3.3Å; T1907-L1911 VanDerWaalsContact O-CG 3.28Å; T1907-L1911 WeakPolarHBondContact O-CG 3.42Å; T1907-L1911 PolarHBondContact O-N 3.08Å; T1907-R2350 VanDerWaalsContact OG1-CD 3.3Å; T1907-R2350 WeakPolarHBondContact OG1-CD 3.19Å; T1907-R2350 PolarHBondContact OG1-NH1 2.8Å; T1907-E2352 WeakPolarHBondContact CB-OE1 3.2Å; T1907-E2352 PolarHBondContact N-OE1 3.08Å; T1907-E2352 PolarHBondContact N-OE2 2.86Å; T1907-E2352 PolarHBondContact OG1-OE1 3.24Å |
| 1908 | G | 69 | Low | 62.5 | Low | 8.25 Ų | 8.25 | 70.5 Ų | 70.5 | 9% | 0.085 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.3 | -30.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1906 C1912 C2210 T2212 E2352 | L1906-G1908 VanDerWaalsContact C-N 3.28Å; L1906-G1908 PolarHBondContact O-N 3.04Å; L1906-G1908 VanDerWaalsContact O-N 3.12Å; G1908-C1912 VanDerWaalsContact O-CB 3.27Å; G1908-C1912 WeakPolarHBondContact O-CB 3.25Å; G1908-C1912 PolarHBondContact O-N 3Å; G1908-C1912 VanDerWaalsContact O-N 3.08Å; G1908-C1912 PolarHBondContact O-SG 3.02Å; G1908-C1912 VanDerWaalsContact O-SG 3.34Å; G1908-C2210 WeakPolarHBondContact CA-SG 3Å; G1908-T2212 VanDerWaalsContact CA-OG1 3.3Å; G1908-T2212 WeakPolarHBondContact CA-OG1 3.15Å; G1908-E2352 PolarHBondContact N-OE2 2.89Å |
| 1909 | I | 74.7 | Confident | 62.6 | Low | 26.5 Ų | 26.5 | 71.9 Ų | 71.9 | 14% | 0.136 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -70.5 | -46.2 | 173.3 | -73.4 | 177.1 | 0 | 0 | 0 | 110 | R1903 L1906 T1907 L1911 C1912 Q1913 M2176 I2214 | R1903-I1909 HydrophobicContact CG-CD1 3.95Å; R1903-I1909 WeakPolarHBondContact O-CD1 3.4Å; L1906-I1909 HydrophobicContact CB-CB 4.35Å; L1906-I1909 HydrophobicContact CB-CD1 4.23Å; L1906-I1909 HydrophobicContact CB-CG1 4.19Å; L1906-I1909 HydrophobicContact CD1-CD1 4.09Å; L1906-I1909 HydrophobicContact CD1-CG1 4.41Å; L1906-I1909 HydrophobicContact CG-CD1 4.48Å; L1906-I1909 WeakPolarHBondContact O-CA 3.41Å; L1906-I1909 WeakPolarHBondContact O-CB 3.39Å; L1906-I1909 PolarHBondContact O-N 3.1Å; T1907-I1909 VanDerWaalsContact C-N 3.33Å; T1907-I1909 PolarHBondContact O-N 3.12Å; I1909-L1911 VanDerWaalsContact C-N 3.32Å; I1909-L1911 PolarHBondContact O-N 2.93Å; I1909-C1912 CarbonylContact O-C 3.57Å; I1909-C1912 WeakPolarHBondContact O-CA 3.25Å; I1909-C1912 PolarHBondContact O-N 3.14Å; I1909-C1912 VanDerWaalsContact O-N 3.13Å; I1909-Q1913 VanDerWaalsContact CG2-CD 3.43Å; I1909-Q1913 HydrophobicContact CG2-CG 4.22Å; I1909-Q1913 WeakPolarHBondContact O-CB 3.39Å; I1909-Q1913 WeakPolarHBondContact O-CG 3.35Å; I1909-Q1913 PolarHBondContact O-N 2.85Å; I1909-M2176 HydrophobicContact CD1-CE 3.95Å; I1909-M2176 HydrophobicContact CG1-CE 3.33Å; I1909-M2176 VanDerWaalsContact CG1-CE 3.44Å; I1909-M2176 HydrophobicContact CG1-SD 3.72Å; I1909-I2214 HydrophobicContact CD1-CD1 3.45Å; I1909-I2214 VanDerWaalsContact CD1-CD1 3.45Å; I1909-I2214 HydrophobicContact CG1-CD1 4.2Å |
| 1910 | Q | 73.9 | Confident | 61.9 | Low | 83.75 Ų | 83.75 | 72.1 Ų | 72.1 | 39% | 0.391 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.6 | -46.7 | 178.4 | -66 | 179.5 | -3.2 | 0 | 0 | 111.7 | H1904 L1906 T1907 C1912 Q1913 E1914 | H1904-Q1910 VanDerWaalsContact O-CG 3.28Å; H1904-Q1910 WeakPolarHBondContact O-CG 3.39Å; H1904-Q1910 PolarHBondContact O-NE2 3.29Å; L1906-Q1910 PolarHBondContact O-N 3.23Å; L1906-Q1910 VanDerWaalsContact O-N 3.09Å; T1907-Q1910 PolarHBondContact O-N 3.1Å; Q1910-C1912 VanDerWaalsContact C-N 3.27Å; Q1910-C1912 PolarHBondContact O-N 2.93Å; Q1910-C1912 VanDerWaalsContact O-N 3.11Å; Q1910-Q1913 WeakPolarHBondContact O-CB 3.44Å; Q1910-Q1913 VanDerWaalsContact O-CG 3.24Å; Q1910-Q1913 WeakPolarHBondContact O-CG 3.27Å; Q1910-Q1913 PolarHBondContact O-N 3.17Å; Q1910-Q1913 VanDerWaalsContact O-N 3.14Å; Q1910-E1914 WeakPolarHBondContact O-CG 3.46Å; Q1910-E1914 PolarHBondContact O-N 3.03Å |
| 1911 | L | 72 | Confident | 61.1 | Low | 27.75 Ų | 27.75 | 74.4 Ų | 74.4 | 15% | 0.145 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.2 | -26.2 | 177.7 | -70.1 | 171.7 | 0 | 0 | 0 | 113.4 | T1907 I1909 Q1913 K1987 C2178 F2180 C2210 | T1907-L1911 HydrophobicContact CG2-CD1 4.29Å; T1907-L1911 WeakPolarHBondContact O-CB 3.3Å; T1907-L1911 VanDerWaalsContact O-CG 3.28Å; T1907-L1911 WeakPolarHBondContact O-CG 3.42Å; T1907-L1911 PolarHBondContact O-N 3.08Å; I1909-L1911 VanDerWaalsContact C-N 3.32Å; I1909-L1911 PolarHBondContact O-N 2.93Å; L1911-Q1913 VanDerWaalsContact C-N 3.34Å; L1911-K1987 WeakPolarHBondContact O-CE 3.39Å; L1911-K1987 PolarHBondContact O-NZ 3.16Å; L1911-K1987 VanDerWaalsContact O-NZ 3.11Å; L1911-C2178 HydrophobicContact CB-CB 4.32Å; L1911-C2178 HydrophobicContact CD1-CB 4.28Å; L1911-F2180 HydrophobicContact CD1-CE2 4.23Å; L1911-F2180 HydrophobicContact CD1-CZ 4.29Å; L1911-F2180 HydrophobicContact CD2-CZ 4.25Å; L1911-C2210 HydrophobicContact CD1-CB 4.27Å |
| 1912 | C | 71.5 | Confident | 60.3 | Low | 7 Ų | 7 | 72.5 Ų | 72.5 | 5% | 0.047 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -90.2 | 0.5 | 178.1 | -68 | 0 | 0 | 0 | 0 | 114.2 | G1908 I1909 Q1910 K1973 T1989 V1991 M2176 | G1908-C1912 VanDerWaalsContact O-CB 3.27Å; G1908-C1912 WeakPolarHBondContact O-CB 3.25Å; G1908-C1912 PolarHBondContact O-N 3Å; G1908-C1912 VanDerWaalsContact O-N 3.08Å; G1908-C1912 PolarHBondContact O-SG 3.02Å; G1908-C1912 VanDerWaalsContact O-SG 3.34Å; I1909-C1912 CarbonylContact O-C 3.57Å; I1909-C1912 WeakPolarHBondContact O-CA 3.25Å; I1909-C1912 PolarHBondContact O-N 3.14Å; I1909-C1912 VanDerWaalsContact O-N 3.13Å; Q1910-C1912 VanDerWaalsContact C-N 3.27Å; Q1910-C1912 PolarHBondContact O-N 2.93Å; Q1910-C1912 VanDerWaalsContact O-N 3.11Å; C1912-K1973 PolarHBondContact O-NZ 3.08Å; C1912-T1989 HydrophobicContact CB-CG2 4.12Å; C1912-T1989 VanDerWaalsContact SG-CG2 3.55Å; C1912-V1991 HydrophobicContact CB-CG2 3.95Å; C1912-M2176 HydrophobicContact CB-CG 4.48Å; C1912-M2176 HydrophobicContact CB-SD 4.32Å |
| 1913 | Q | 69.4 | Low | 59.1 | Low | 115 Ų | 115 | 75.8 Ų | 75.8 | 54% | 0.537 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -75.6 | 69.7 | 174.6 | -73.8 | 176.9 | -4 | 0 | 0 | 112.7 | H1904 I1909 Q1910 L1911 H1975 | H1904-Q1913 PolarHBondContact ND1-OE1 3.43Å; I1909-Q1913 VanDerWaalsContact CG2-CD 3.43Å; I1909-Q1913 HydrophobicContact CG2-CG 4.22Å; I1909-Q1913 WeakPolarHBondContact O-CB 3.39Å; I1909-Q1913 WeakPolarHBondContact O-CG 3.35Å; I1909-Q1913 PolarHBondContact O-N 2.85Å; Q1910-Q1913 WeakPolarHBondContact O-CB 3.44Å; Q1910-Q1913 VanDerWaalsContact O-CG 3.24Å; Q1910-Q1913 WeakPolarHBondContact O-CG 3.27Å; Q1910-Q1913 PolarHBondContact O-N 3.17Å; Q1910-Q1913 VanDerWaalsContact O-N 3.14Å; L1911-Q1913 VanDerWaalsContact C-N 3.34Å; Q1913-H1975 PolarHBondContact O-CE1 2.91Å |
| 1914 | E | 67 | Low | 57.6 | Low | 88.5 Ų | 88.5 | 76.5 Ų | 76.5 | 41% | 0.414 | 39% | 0.387 | S | S | . | . | trans | -71.4 | 66.3 | 179.7 | -71.1 | -176.5 | 174.6 | 0 | 0 | 113.8 | Q1910 D1916 V1917 K1973 K1987 | Q1910-E1914 WeakPolarHBondContact O-CG 3.46Å; Q1910-E1914 PolarHBondContact O-N 3.03Å; E1914-D1916 VanDerWaalsContact CB-OD1 3.31Å; E1914-D1916 WeakPolarHBondContact CB-OD1 3.43Å; E1914-D1916 PolarHBondContact O-N 3.19Å; E1914-D1916 VanDerWaalsContact O-N 3.12Å; E1914-V1917 HydrophobicContact CB-CG2 4.47Å; E1914-V1917 VanDerWaalsContact O-CB 3.26Å; E1914-V1917 WeakPolarHBondContact O-CB 3.46Å; E1914-V1917 VanDerWaalsContact O-CG2 3.22Å; E1914-V1917 WeakPolarHBondContact O-CG2 3.31Å; E1914-V1917 PolarHBondContact O-N 2.89Å; E1914-K1973 IonicContact OE1-NZ 3.52Å; E1914-K1973 PolarHBondContact OE1-NZ 3.29Å; E1914-K1987 IonicContact OE2-NZ 2.83Å; E1914-K1987 PolarHBondContact OE2-NZ 3.24Å | ||
| 1915 | D | 62.7 | Low | 56 | Low | 128.25 Ų | 128.25 | 78.8 Ų | 78.8 | 69% | 0.686 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -7.7 | -172.2 | -81.4 | -34.3 | 0 | 0 | 0 | 113.7 | V1917 K1921 R1936 | D1915-V1917 VanDerWaalsContact C-N 3.3Å; D1915-V1917 PolarHBondContact O-N 3.17Å; D1915-K1921 IonicContact OD1-NZ 3.68Å; D1915-K1921 PolarHBondContact OD1-NZ 2.75Å; D1915-R1936 PolarHBondContact O-NE 2.8Å; D1915-R1936 VanDerWaalsContact O-NE 3.14Å; D1915-R1936 PolarHBondContact O-NH1 2.89Å; D1915-R1936 PolarHBondContact O-NH2 2.83Å; D1915-R1936 VanDerWaalsContact O-NH2 3.15Å; D1915-R1936 IonicContact OD1-CZ 2.95Å; D1915-R1936 IonicContact OD1-NH1 3.16Å; D1915-R1936 PolarHBondContact OD1-NH1 2.6Å; D1915-R1936 IonicContact OD2-NH1 3.51Å |
| 1916 | D | 67.5 | Low | 54.2 | Low | 36 Ų | 36 | 80.8 Ų | 80.8 | 19% | 0.193 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 7.9 | -177.3 | 55 | -27.4 | 0 | 0 | 0 | 114.1 | E1914 L1918 H1975 Q1976 I1978 K1987 | E1914-D1916 VanDerWaalsContact CB-OD1 3.31Å; E1914-D1916 WeakPolarHBondContact CB-OD1 3.43Å; E1914-D1916 PolarHBondContact O-N 3.19Å; E1914-D1916 VanDerWaalsContact O-N 3.12Å; D1916-L1918 PolarHBondContact O-N 3.13Å; D1916-H1975 HydrophobicContact CB-CB 4.49Å; D1916-H1975 CarbonylContact O-C 3.58Å; D1916-H1975 VanDerWaalsContact O-CA 3.24Å; D1916-H1975 WeakPolarHBondContact O-CA 3.24Å; D1916-H1975 VanDerWaalsContact O-CB 3.3Å; D1916-H1975 WeakPolarHBondContact O-CB 3.36Å; D1916-H1975 IonicContact OD1-CE1 3.12Å; D1916-H1975 IonicContact OD1-CG 3.03Å; D1916-H1975 IonicContact OD1-ND1 3.46Å; D1916-H1975 PolarHBondContact OD1-ND1 3.25Å; D1916-H1975 WeakPolarHBondContact OD2-CB 3.25Å; D1916-H1975 IonicContact OD2-CG 3.19Å; D1916-H1975 IonicContact OD2-ND1 3.87Å; D1916-Q1976 HydrophobicContact CB-CB 4.26Å; D1916-Q1976 WeakPolarHBondContact O-CG 3.29Å; D1916-Q1976 PolarHBondContact O-N 2.93Å; D1916-I1978 WeakPolarHBondContact OD2-CD1 3.39Å; D1916-K1987 IonicContact OD1-NZ 3.05Å; D1916-K1987 PolarHBondContact OD1-NZ 3.41Å; D1916-K1987 WeakPolarHBondContact OD2-CD 3.37Å; D1916-K1987 IonicContact OD2-NZ 3.23Å; D1916-K1987 PolarHBondContact OD2-NZ 3.24Å |
| 1917 | V | 63.5 | Low | 52 | Low | 21.25 Ų | 21.25 | 85.7 Ų | 85.7 | 13% | 0.129 | 44% | 0.436 | C | S | . | . | B | Isolated β-bridge | trans | -67 | 123.5 | 179.9 | -167.7 | 0 | 0 | 0 | 0 | 109.8 | E1914 D1915 F1919 P1938 K1973 I1974 H1975 | E1914-V1917 HydrophobicContact CB-CG2 4.47Å; E1914-V1917 VanDerWaalsContact O-CB 3.26Å; E1914-V1917 WeakPolarHBondContact O-CB 3.46Å; E1914-V1917 VanDerWaalsContact O-CG2 3.22Å; E1914-V1917 WeakPolarHBondContact O-CG2 3.31Å; E1914-V1917 PolarHBondContact O-N 2.89Å; D1915-V1917 VanDerWaalsContact C-N 3.3Å; D1915-V1917 PolarHBondContact O-N 3.17Å; V1917-F1919 WeakPolarHBondContact CG1-O 3.32Å; V1917-F1919 PolarHBondContact O-N 3.4Å; V1917-P1938 HydrophobicContact CB-CB 3.93Å; V1917-P1938 VanDerWaalsContact CB-CB 3.5Å; V1917-P1938 HydrophobicContact CB-CG 4.05Å; V1917-P1938 HydrophobicContact CG1-CB 3.31Å; V1917-P1938 VanDerWaalsContact CG1-CB 3.47Å; V1917-P1938 HydrophobicContact CG1-CG 4.21Å; V1917-P1938 HydrophobicContact CG2-CB 4.48Å; V1917-K1973 HydrophobicContact CG1-CB 4.14Å; V1917-K1973 HydrophobicContact CG1-CD 4.03Å; V1917-K1973 HydrophobicContact CG1-CG 4.38Å; V1917-K1973 HydrophobicContact CG2-CB 4.48Å; V1917-K1973 HydrophobicContact CG2-CD 4.13Å; V1917-I1974 VanDerWaalsContact CG1-O 3.23Å; V1917-I1974 WeakPolarHBondContact CG1-O 3.22Å; V1917-H1975 WeakPolarHBondContact CG2-CE1 3.32Å |
| 1918 | L | 56.9 | Low | 49.9 | Very low | 55 Ų | 55 | 90.1 Ų | 90.1 | 29% | 0.288 | 46% | 0.457 | S | S | . | . | trans | -69.6 | 50.7 | -170 | -98.4 | 175.6 | 0 | 0 | 0 | 113.1 | D1916 S1920 P1938 L1939 I1974 H1975 Q1976 L2192 | D1916-L1918 PolarHBondContact O-N 3.13Å; L1918-S1920 PolarHBondContact O-N 2.84Å; L1918-S1920 VanDerWaalsContact O-N 3.13Å; L1918-P1938 WeakPolarHBondContact O-CA 3.37Å; L1918-L1939 PolarHBondContact O-N 3.27Å; L1918-I1974 HydrophobicContact CD1-CG2 4.22Å; L1918-I1974 PolarHBondContact N-O 3.12Å; L1918-I1974 VanDerWaalsContact N-O 3.13Å; L1918-H1975 WeakPolarHBondContact CD1-O 3.4Å; L1918-Q1976 HydrophobicContact CD1-CB 4.32Å; L1918-Q1976 HydrophobicContact CD1-CG 4.25Å; L1918-Q1976 HydrophobicContact CD2-CB 4.42Å; L1918-Q1976 HydrophobicContact CD2-CG 3.74Å; L1918-Q1976 VanDerWaalsContact CD2-CG 3.45Å; L1918-Q1976 HydrophobicContact CG-CB 4.18Å; L1918-Q1976 HydrophobicContact CG-CG 3.86Å; L1918-Q1976 VanDerWaalsContact CG-CG 3.44Å; L1918-L2192 HydrophobicContact CD1-CD1 4.02Å; L1918-L2192 HydrophobicContact CD1-CD2 4.21Å; L1918-L2192 HydrophobicContact CD2-CD2 4.08Å | ||
| 1919 | F | 46.4 | Very low | 48 | Very low | 92.75 Ų | 92.75 | 97.9 Ų | 97.9 | 41% | 0.407 | 49% | 0.491 | S | S | . | . | trans | -97.3 | 112.1 | 177.3 | -139.8 | -87.9 | 0 | 0 | 0 | 111.3 | V1917 K1921 L1935 R1936 T1937 L1939 I1974 | V1917-F1919 WeakPolarHBondContact CG1-O 3.32Å; V1917-F1919 PolarHBondContact O-N 3.4Å; F1919-K1921 VanDerWaalsContact C-N 3.28Å; F1919-K1921 HydrophobicContact CD1-CB 3.75Å; F1919-K1921 HydrophobicContact CD1-CG 3.77Å; F1919-K1921 HydrophobicContact CE1-CB 4.18Å; F1919-K1921 HydrophobicContact CE1-CG 3.89Å; F1919-K1921 PolarHBondContact O-N 2.92Å; F1919-L1935 HydrophobicContact CE1-CB 4.34Å; F1919-L1935 HydrophobicContact CE1-CD2 3.95Å; F1919-L1935 HydrophobicContact CE1-CG 3.9Å; F1919-L1935 HydrophobicContact CZ-CG 4.2Å; F1919-R1936 WeakPolarHBondContact CE2-O 3.18Å; F1919-R1936 WeakPolarHBondContact CZ-O 3.23Å; F1919-T1937 HydrophobicContact CD1-CG2 3.94Å; F1919-T1937 WeakPolarHBondContact CD2-O 3.39Å; F1919-T1937 HydrophobicContact CE1-CG2 4.28Å; F1919-T1937 VanDerWaalsContact CE2-N 3.26Å; F1919-T1937 VanDerWaalsContact CE2-O 3.26Å; F1919-T1937 WeakPolarHBondContact CE2-O 3.38Å; F1919-T1937 VanDerWaalsContact CE2-OG1 3.3Å; F1919-T1937 WeakPolarHBondContact CE2-OG1 3.33Å; F1919-L1939 HydrophobicContact CB-CB 3.36Å; F1919-L1939 HydrophobicContact CD1-CB 3.71Å; F1919-L1939 HydrophobicContact CD1-CD1 3.83Å; F1919-L1939 HydrophobicContact CD1-CD2 4.41Å; F1919-L1939 HydrophobicContact CD1-CG 4.19Å; F1919-L1939 HydrophobicContact CD2-CB 3.75Å; F1919-L1939 HydrophobicContact CD2-CD2 3.87Å; F1919-L1939 HydrophobicContact CD2-CG 4.3Å; F1919-L1939 HydrophobicContact CE1-CB 4.48Å; F1919-L1939 HydrophobicContact CE1-CD1 3.92Å; F1919-L1939 HydrophobicContact CE1-CD2 4.39Å; F1919-L1939 HydrophobicContact CE2-CD2 3.84Å; F1919-L1939 HydrophobicContact CG-CB 3.28Å; F1919-L1939 HydrophobicContact CG-CD1 4.25Å; F1919-L1939 HydrophobicContact CG-CD2 4.16Å; F1919-L1939 HydrophobicContact CG-CG 4.08Å; F1919-L1939 HydrophobicContact CZ-CD1 4.41Å; F1919-L1939 HydrophobicContact CZ-CD2 4.11Å; F1919-I1974 HydrophobicContact CD2-CB 4.39Å; F1919-I1974 HydrophobicContact CD2-CD1 4.48Å; F1919-I1974 HydrophobicContact CE2-CD1 4.2Å | ||
| 1920 | S | 32.9 | Very low | 45.8 | Very low | 66 Ų | 66 | 105.6 Ų | 105.6 | 46% | 0.462 | 52% | 0.523 | S | S | . | . | trans | -97.9 | 97.6 | 170.5 | 62.7 | 0 | 0 | 0 | 0 | 111.7 | L1918 W1922 K1973 | L1918-S1920 PolarHBondContact O-N 2.84Å; L1918-S1920 VanDerWaalsContact O-N 3.13Å; S1920-W1922 PolarHBondContact O-N 2.83Å; S1920-K1973 PolarHBondContact OG-NZ 2.83Å | ||
| 1921 | K | 31.2 | Very low | 43.7 | Very low | 156.75 Ų | 156.75 | 107.8 Ų | 107.8 | 68% | 0.682 | 54% | 0.543 | S | S | * | . | trans | -57 | 112.3 | 156.5 | -115.5 | 170.5 | -174.4 | -179.5 | 0 | 111.9 | D1915 F1919 Q1923 | D1915-K1921 IonicContact OD1-NZ 3.68Å; D1915-K1921 PolarHBondContact OD1-NZ 2.75Å; F1919-K1921 VanDerWaalsContact C-N 3.28Å; F1919-K1921 HydrophobicContact CD1-CB 3.75Å; F1919-K1921 HydrophobicContact CD1-CG 3.77Å; F1919-K1921 HydrophobicContact CE1-CB 4.18Å; F1919-K1921 HydrophobicContact CE1-CG 3.89Å; F1919-K1921 PolarHBondContact O-N 2.92Å; K1921-Q1923 VanDerWaalsContact C-N 3.3Å; K1921-Q1923 HydrophobicContact CB-CB 3.97Å; K1921-Q1923 HydrophobicContact CD-CB 4.07Å; K1921-Q1923 HydrophobicContact CG-CB 4.11Å; K1921-Q1923 PolarHBondContact O-N 3.25Å | ||
| 1922 | W | 30.9 | Very low | 41.9 | Very low | 130 Ų | 130 | 115.6 Ų | 115.6 | 49% | 0.492 | 58% | 0.576 | S | S | . | * | trans | -88.1 | 104.6 | 150.3 | -82.6 | 7.1 | 0 | 0 | 0 | 108 | E1715 K1730 R1732 L1775 F1778 V1794 S1920 S1924 | E1715-W1922 HydrophobicContact CG-CZ3 4.43Å; E1715-W1922 VanDerWaalsContact OE1-CH2 3.28Å; E1715-W1922 WeakPolarHBondContact OE1-CH2 3.39Å; E1715-W1922 WeakPolarHBondContact OE1-CZ3 3.42Å; K1730-W1922 HydrophobicContact CD-CH2 3.6Å; K1730-W1922 HydrophobicContact CD-CZ2 3.84Å; K1730-W1922 HydrophobicContact CD-CZ3 4.14Å; K1730-W1922 HydrophobicContact CG-CH2 4.06Å; R1732-W1922 HydrophobicContact CG-CZ2 3.81Å; R1732-W1922 VanDerWaalsContact NH2-CE3 3.31Å; R1732-W1922 VanDerWaalsContact NH2-CH2 3.33Å; L1775-W1922 HydrophobicContact CD1-CE3 4.07Å; L1775-W1922 HydrophobicContact CD1-CH2 3.38Å; L1775-W1922 HydrophobicContact CD1-CZ2 3.89Å; L1775-W1922 HydrophobicContact CD1-CZ3 3.5Å; L1775-W1922 HydrophobicContact CD2-CE3 4.43Å; L1775-W1922 HydrophobicContact CD2-CZ3 4.26Å; L1775-W1922 HydrophobicContact CG-CE3 4.16Å; L1775-W1922 HydrophobicContact CG-CH2 3.88Å; L1775-W1922 HydrophobicContact CG-CZ3 3.54Å; F1778-W1922 HydrophobicContact CE1-CB 4.43Å; F1778-W1922 HydrophobicContact CE1-CE3 4.25Å; V1794-W1922 HydrophobicContact CG2-CH2 4.23Å; S1920-W1922 PolarHBondContact O-N 2.83Å; W1922-S1924 PolarHBondContact O-N 3.38Å | ||
| 1923 | Q | 28.5 | Very low | 39.9 | Very low | 151 Ų | 151 | 122.5 Ų | 122.5 | 71% | 0.706 | 61% | 0.612 | S | S | * | * | trans | -60 | 113.1 | 173.1 | -146.5 | 170.4 | 4.9 | 0 | 0 | 113.1 | K1921 M1925 | K1921-Q1923 VanDerWaalsContact C-N 3.3Å; K1921-Q1923 HydrophobicContact CB-CB 3.97Å; K1921-Q1923 HydrophobicContact CD-CB 4.07Å; K1921-Q1923 HydrophobicContact CG-CB 4.11Å; K1921-Q1923 PolarHBondContact O-N 3.25Å; Q1923-M1925 HydrophobicContact CG-CB 3.44Å; Q1923-M1925 VanDerWaalsContact CG-CB 3.44Å; Q1923-M1925 VanDerWaalsContact NE2-CB 3.3Å; Q1923-M1925 PolarHBondContact NE2-SD 2.83Å; Q1923-M1925 PolarHBondContact O-N 2.84Å | ||
| 1924 | S | 25.4 | Very low | 38.3 | Very low | 106.5 Ų | 106.5 | 122.6 Ų | 122.6 | 75% | 0.745 | 62% | 0.622 | S | S | * | * | trans | -100.3 | 101.1 | 147.9 | 155.5 | 0 | 0 | 0 | 0 | 108.8 | W1922 L1926 | W1922-S1924 PolarHBondContact O-N 3.38Å; S1924-L1926 PolarHBondContact O-N 3.19Å | ||
| 1925 | M | 24.4 | Very low | 36.8 | Very low | 161.75 Ų | 161.75 | 124.3 Ų | 124.3 | 80% | 0.797 | 63% | 0.633 | S | S | * | * | trans | -135.8 | 102.3 | 158.1 | -168.4 | 169.1 | 87.4 | 0 | 0 | 110.8 | Q1923 L1927 | Q1923-M1925 HydrophobicContact CG-CB 3.44Å; Q1923-M1925 VanDerWaalsContact CG-CB 3.44Å; Q1923-M1925 VanDerWaalsContact NE2-CB 3.3Å; Q1923-M1925 PolarHBondContact NE2-SD 2.83Å; Q1923-M1925 PolarHBondContact O-N 2.84Å; M1925-L1927 PolarHBondContact O-N 3.46Å | ||
| 1926 | L | 25.5 | Very low | 35.7 | Very low | 151.75 Ų | 151.75 | 127.2 Ų | 127.2 | 80% | 0.795 | 64% | 0.635 | S | S | * | * | trans | -144.9 | 123.6 | 159.2 | -143.8 | 149.3 | 0 | 0 | 0 | 108.9 | S1924 | S1924-L1926 PolarHBondContact O-N 3.19Š| ||
| 1927 | L | 27.2 | Very low | 34.4 | Very low | 138.75 Ų | 138.75 | 127.4 Ų | 127.4 | 73% | 0.726 | 64% | 0.637 | S | S | * | * | trans | 101.8 | 111.6 | 167.1 | -67 | 159.2 | 0 | 0 | 0 | 115.5 | M1925 | M1925-L1927 PolarHBondContact O-N 3.46Š| ||
| 1928 | L | 28.1 | Very low | 33.6 | Very low | 139.75 Ų | 139.75 | 128.3 Ų | 128.3 | 73% | 0.732 | 64% | 0.644 | S | S | * | * | 59.2 | 121.6 | 115 | -79.3 | 163.7 | 0 | 0 | 0 | 117.7 | |||||
| 1929 | H | 27.7 | Very low | 33.2 | Very low | 171.25 Ų | 171.25 | 127.6 Ų | 127.6 | 79% | 0.793 | 64% | 0.64 | S | S | * | * | trans | 18.4 | 118 | 138.1 | -86.2 | 87.1 | 0 | 0 | 0 | 115 | ||||
| 1930 | F | 29.7 | Very low | 33.8 | Very low | 188.5 Ų | 188.5 | 124 Ų | 124 | 83% | 0.827 | 63% | 0.625 | S | S | * | * | trans | -142.7 | 120.5 | 146.3 | -95.9 | -90.1 | 0 | 0 | 0 | 111.2 | F1932 | F1930-F1932 HydrophobicContact CD1-CD2 4.39Å; F1930-F1932 PolarHBondContact O-N 3.04Å; F1930-F1932 VanDerWaalsContact O-N 3.11Å | ||
| 1931 | T | 29.2 | Very low | 35.7 | Very low | 129.75 Ų | 129.75 | 123.3 Ų | 123.3 | 80% | 0.796 | 62% | 0.615 | S | S | * | * | trans | -68.2 | 121.9 | 150.2 | 40.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1932 | F | 33.5 | Very low | 38 | Very low | 191.25 Ų | 191.25 | 115.9 Ų | 115.9 | 84% | 0.839 | 58% | 0.583 | S | S | * | * | trans | -144.2 | 121.2 | 167.4 | -84.9 | -89.6 | 0 | 0 | 0 | 112.9 | F1930 | F1930-F1932 HydrophobicContact CD1-CD2 4.39Å; F1930-F1932 PolarHBondContact O-N 3.04Å; F1930-F1932 VanDerWaalsContact O-N 3.11Å | ||
| 1933 | L | 30.2 | Very low | 40.6 | Very low | 152.75 Ų | 152.75 | 111.1 Ų | 111.1 | 80% | 0.8 | 57% | 0.568 | S | S | * | * | trans | 9.1 | 119.2 | 166.6 | -87.5 | 128.4 | 0 | 0 | 0 | 115.8 | L1935 | L1933-L1935 PolarHBondContact O-N 3.07Š| ||
| 1934 | P | 36.8 | Very low | 43.5 | Very low | 117.75 Ų | 117.75 | 106.3 Ų | 106.3 | 77% | 0.765 | 55% | 0.546 | S | S | * | . | trans | -78.8 | 102.9 | 170.6 | 31.3 | -30.9 | 0 | 0 | 0 | 110.4 | R1936 | P1934-R1936 VanDerWaalsContact C-N 3.35Å; P1934-R1936 PolarHBondContact O-N 2.88Å | ||
| 1935 | L | 35 | Very low | 46.5 | Very low | 123.25 Ų | 123.25 | 102.3 Ų | 102.3 | 65% | 0.645 | 52% | 0.516 | S | S | * | . | trans | -67.2 | 103.8 | 173.2 | -141.7 | 70.5 | 0 | 0 | 0 | 109.6 | L1788 F1919 L1933 T1937 | L1788-L1935 HydrophobicContact CD1-CD2 3.53Å; L1788-L1935 HydrophobicContact CD2-CD2 3.68Å; L1788-L1935 HydrophobicContact CD2-CG 4.23Å; L1788-L1935 HydrophobicContact CG-CD2 4.24Å; F1919-L1935 HydrophobicContact CE1-CB 4.34Å; F1919-L1935 HydrophobicContact CE1-CD2 3.95Å; F1919-L1935 HydrophobicContact CE1-CG 3.9Å; F1919-L1935 HydrophobicContact CZ-CG 4.2Å; L1933-L1935 PolarHBondContact O-N 3.07Å; L1935-T1937 HydrophobicContact CD2-CG2 4.39Å; L1935-T1937 HydrophobicContact CG-CG2 4.38Å; L1935-T1937 PolarHBondContact O-N 2.88Å | ||
| 1936 | R | 38.9 | Very low | 49.6 | Very low | 190.25 Ų | 190.25 | 96.3 Ų | 96.3 | 72% | 0.718 | 49% | 0.487 | S | S | * | . | trans | -76.9 | 105.6 | 176.9 | -74.3 | 179.6 | 172.2 | 167.6 | -2.5 | 109.8 | D1915 F1919 P1934 P1938 | D1915-R1936 PolarHBondContact O-NE 2.8Å; D1915-R1936 VanDerWaalsContact O-NE 3.14Å; D1915-R1936 PolarHBondContact O-NH1 2.89Å; D1915-R1936 PolarHBondContact O-NH2 2.83Å; D1915-R1936 VanDerWaalsContact O-NH2 3.15Å; D1915-R1936 IonicContact OD1-CZ 2.95Å; D1915-R1936 IonicContact OD1-NH1 3.16Å; D1915-R1936 PolarHBondContact OD1-NH1 2.6Å; D1915-R1936 IonicContact OD2-NH1 3.51Å; F1919-R1936 WeakPolarHBondContact CE2-O 3.18Å; F1919-R1936 WeakPolarHBondContact CZ-O 3.23Å; P1934-R1936 VanDerWaalsContact C-N 3.35Å; P1934-R1936 PolarHBondContact O-N 2.88Å; R1936-P1938 WeakPolarHBondContact O-CD 3.32Å | ||
| 1937 | T | 40.5 | Very low | 52.6 | Low | 39.5 Ų | 39.5 | 89.1 Ų | 89.1 | 24% | 0.242 | 45% | 0.449 | C | S | . | . | trans | -96.9 | 118.1 | 167.8 | 55.4 | 0 | 0 | 0 | 0 | 110.6 | I1776 V1794 F1919 L1935 | I1776-T1937 HydrophobicContact CD1-CG2 3.9Å; I1776-T1937 VanDerWaalsContact CD1-OG1 3.29Å; I1776-T1937 WeakPolarHBondContact CD1-OG1 3.42Å; V1794-T1937 HydrophobicContact CB-CG2 3.86Å; V1794-T1937 HydrophobicContact CG1-CG2 4.42Å; V1794-T1937 HydrophobicContact CG2-CG2 4.11Å; F1919-T1937 HydrophobicContact CD1-CG2 3.94Å; F1919-T1937 WeakPolarHBondContact CD2-O 3.39Å; F1919-T1937 HydrophobicContact CE1-CG2 4.28Å; F1919-T1937 VanDerWaalsContact CE2-N 3.26Å; F1919-T1937 VanDerWaalsContact CE2-O 3.26Å; F1919-T1937 WeakPolarHBondContact CE2-O 3.38Å; F1919-T1937 VanDerWaalsContact CE2-OG1 3.3Å; F1919-T1937 WeakPolarHBondContact CE2-OG1 3.33Å; L1935-T1937 HydrophobicContact CD2-CG2 4.39Å; L1935-T1937 HydrophobicContact CG-CG2 4.38Å; L1935-T1937 PolarHBondContact O-N 2.88Å | ||
| 1938 | P | 46.2 | Very low | 55.6 | Low | 40.5 Ų | 40.5 | 84.2 Ų | 84.2 | 26% | 0.263 | 42% | 0.423 | S | S | . | . | trans | -86 | 141 | 172.8 | 20.8 | -15.2 | 0 | 0 | 0 | 112.1 | V1796 V1917 L1918 R1936 I1940 | V1796-P1938 HydrophobicContact CG2-CB 3.73Å; V1917-P1938 HydrophobicContact CB-CB 3.93Å; V1917-P1938 VanDerWaalsContact CB-CB 3.5Å; V1917-P1938 HydrophobicContact CB-CG 4.05Å; V1917-P1938 HydrophobicContact CG1-CB 3.31Å; V1917-P1938 VanDerWaalsContact CG1-CB 3.47Å; V1917-P1938 HydrophobicContact CG1-CG 4.21Å; V1917-P1938 HydrophobicContact CG2-CB 4.48Å; L1918-P1938 WeakPolarHBondContact O-CA 3.37Å; R1936-P1938 WeakPolarHBondContact O-CD 3.32Å; P1938-I1940 HydrophobicContact CB-CD1 4.31Å; P1938-I1940 HydrophobicContact CB-CG1 4.16Å; P1938-I1940 HydrophobicContact CG-CD1 3.75Å; P1938-I1940 HydrophobicContact CG-CG1 3.9Å; P1938-I1940 WeakPolarHBondContact O-CD1 3.33Å; P1938-I1940 WeakPolarHBondContact O-CG1 3.32Å; P1938-I1940 PolarHBondContact O-N 3.13Å | ||
| 1939 | L | 48.2 | Very low | 58.6 | Low | 40.5 Ų | 40.5 | 77.9 Ų | 77.9 | 21% | 0.212 | 39% | 0.39 | C | S | . | . | trans | -71.4 | 90.1 | 166.9 | -175.7 | 75.9 | 0 | 0 | 0 | 108.5 | D1793 T1795 V1796 L1918 F1919 V1971 I1974 | D1793-L1939 HydrophobicContact CB-CD2 3.9Å; T1795-L1939 HydrophobicContact CG2-CB 4.19Å; T1795-L1939 HydrophobicContact CG2-CD2 3.72Å; T1795-L1939 HydrophobicContact CG2-CG 4.02Å; V1796-L1939 HydrophobicContact CB-CD1 3.69Å; V1796-L1939 HydrophobicContact CB-CG 4.23Å; V1796-L1939 HydrophobicContact CG1-CD1 3.81Å; V1796-L1939 HydrophobicContact CG2-CD1 3.7Å; V1796-L1939 VanDerWaalsContact CG2-CD1 3.47Å; V1796-L1939 PolarHBondContact N-O 3.14Å; L1918-L1939 PolarHBondContact O-N 3.27Å; F1919-L1939 HydrophobicContact CB-CB 3.36Å; F1919-L1939 HydrophobicContact CD1-CB 3.71Å; F1919-L1939 HydrophobicContact CD1-CD1 3.83Å; F1919-L1939 HydrophobicContact CD1-CD2 4.41Å; F1919-L1939 HydrophobicContact CD1-CG 4.19Å; F1919-L1939 HydrophobicContact CD2-CB 3.75Å; F1919-L1939 HydrophobicContact CD2-CD2 3.87Å; F1919-L1939 HydrophobicContact CD2-CG 4.3Å; F1919-L1939 HydrophobicContact CE1-CB 4.48Å; F1919-L1939 HydrophobicContact CE1-CD1 3.92Å; F1919-L1939 HydrophobicContact CE1-CD2 4.39Å; F1919-L1939 HydrophobicContact CE2-CD2 3.84Å; F1919-L1939 HydrophobicContact CG-CB 3.28Å; F1919-L1939 HydrophobicContact CG-CD1 4.25Å; F1919-L1939 HydrophobicContact CG-CD2 4.16Å; F1919-L1939 HydrophobicContact CG-CG 4.08Å; F1919-L1939 HydrophobicContact CZ-CD1 4.41Å; F1919-L1939 HydrophobicContact CZ-CD2 4.11Å; L1939-V1971 HydrophobicContact CD1-CG1 3.7Å; L1939-V1971 HydrophobicContact CD2-CG1 4.34Å; L1939-V1971 HydrophobicContact CG-CG1 4.15Å; L1939-I1974 HydrophobicContact CD2-CD1 4.07Å; L1939-I1974 HydrophobicContact CG-CD1 4.48Å | ||
| 1940 | I | 60.5 | Low | 61.6 | Low | 17.5 Ų | 17.5 | 71 Ų | 71 | 9% | 0.09 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 124.4 | -174 | -60.9 | 147.8 | 0 | 0 | 0 | 110 | D1793 T1795 V1796 H1797 P1938 A1942 V1971 N1972 K1973 I1974 | D1793-I1940 HydrophobicContact CB-CD1 4.24Å; T1795-I1940 WeakPolarHBondContact CA-O 3.41Å; T1795-I1940 WeakPolarHBondContact CB-O 3.39Å; T1795-I1940 HydrophobicContact CG2-CB 4.02Å; T1795-I1940 HydrophobicContact CG2-CG2 3.7Å; V1796-I1940 PolarHBondContact N-O 3.07Å; H1797-I1940 WeakPolarHBondContact CB-O 3.49Å; H1797-I1940 PolarHBondContact CD2-O 2.95Å; H1797-I1940 PolarHBondContact N-O 2.76Å; P1938-I1940 HydrophobicContact CB-CD1 4.31Å; P1938-I1940 HydrophobicContact CB-CG1 4.16Å; P1938-I1940 HydrophobicContact CG-CD1 3.75Å; P1938-I1940 HydrophobicContact CG-CG1 3.9Å; P1938-I1940 WeakPolarHBondContact O-CD1 3.33Å; P1938-I1940 WeakPolarHBondContact O-CG1 3.32Å; P1938-I1940 PolarHBondContact O-N 3.13Å; I1940-A1942 HydrophobicContact CG2-CB 3.99Å; I1940-V1971 HydrophobicContact CG1-CG1 4.22Å; I1940-V1971 HydrophobicContact CG2-CB 4.38Å; I1940-V1971 HydrophobicContact CG2-CG1 3.53Å; I1940-V1971 VanDerWaalsContact CG2-CG1 3.43Å; I1940-V1971 HydrophobicContact CG2-CG2 4.12Å; I1940-N1972 WeakPolarHBondContact CA-O 3.46Å; I1940-K1973 HydrophobicContact CG1-CG 4.49Å; I1940-I1974 HydrophobicContact CD1-CB 3.87Å; I1940-I1974 HydrophobicContact CD1-CD1 4.21Å; I1940-I1974 HydrophobicContact CD1-CG1 3.87Å; I1940-I1974 HydrophobicContact CG1-CD1 3.99Å; I1940-I1974 HydrophobicContact CG1-CG1 4.19Å; I1940-I1974 HydrophobicContact CG2-CD1 4.22Å |
| 1941 | I | 71.9 | Confident | 64.4 | Low | 50.5 Ų | 50.5 | 62.1 Ų | 62.1 | 26% | 0.259 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 121.5 | 162.8 | -53 | 174.7 | 0 | 0 | 0 | 107.3 | H1797 V1943 V1971 N1972 | H1797-I1941 HydrophobicContact CB-CB 4.27Å; H1797-I1941 HydrophobicContact CB-CG1 4.05Å; H1797-I1941 HydrophobicContact CB-CG2 4.02Å; H1797-I1941 CarbonylContact O-C 3.56Å; H1797-I1941 WeakPolarHBondContact O-CA 3.3Å; I1941-V1943 HydrophobicContact CG2-CG2 4.02Å; I1941-V1971 CarbonylContact O-C 3.46Å; I1941-V1971 VanDerWaalsContact O-CA 3.29Å; I1941-V1971 WeakPolarHBondContact O-CA 3.42Å; I1941-N1972 HydrophobicContact CB-CB 4.22Å; I1941-N1972 PolarHBondContact N-O 3.2Å; I1941-N1972 PolarHBondContact O-N 3.16Å |
| 1942 | A | 79.7 | Confident | 67.3 | Low | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 132 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | T1795 H1797 H1798 V1799 I1940 I1970 V1971 | T1795-A1942 HydrophobicContact CG2-CB 3.57Å; T1795-A1942 VanDerWaalsContact CG2-CB 3.45Å; H1797-A1942 PolarHBondContact O-N 3.23Å; H1798-A1942 CarbonylContact C-O 3.58Å; H1798-A1942 WeakPolarHBondContact CA-O 3.3Å; V1799-A1942 PolarHBondContact N-O 3.12Å; I1940-A1942 HydrophobicContact CG2-CB 3.99Å; A1942-I1970 CarbonylContact C-O 3.5Å; A1942-I1970 WeakPolarHBondContact CA-O 3.4Å; A1942-V1971 HydrophobicContact CB-CG2 4.42Å |
| 1943 | V | 86.1 | Confident | 69.7 | Low | 29.75 Ų | 29.75 | 51.3 Ų | 51.3 | 18% | 0.18 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 115.6 | 172 | -173.5 | 0 | 0 | 0 | 0 | 108.2 | V1799 V1801 I1941 L1945 R1969 I1970 | V1799-V1943 HydrophobicContact CB-CB 4.42Å; V1799-V1943 HydrophobicContact CB-CG1 4.17Å; V1799-V1943 HydrophobicContact CB-CG2 4.17Å; V1799-V1943 HydrophobicContact CG1-CG1 4.29Å; V1799-V1943 HydrophobicContact CG2-CG2 4.38Å; V1799-V1943 CarbonylContact O-C 3.58Å; V1799-V1943 VanDerWaalsContact O-CA 3.27Å; V1799-V1943 WeakPolarHBondContact O-CA 3.38Å; V1801-V1943 HydrophobicContact CG2-CG1 4.15Å; I1941-V1943 HydrophobicContact CG2-CG2 4.02Å; V1943-L1945 HydrophobicContact CG1-CD2 3.99Å; V1943-L1945 HydrophobicContact CG1-CG 4.4Å; V1943-R1969 CarbonylContact O-C 3.58Å; V1943-R1969 WeakPolarHBondContact O-CA 3.29Å; V1943-I1970 HydrophobicContact CB-CB 4.17Å; V1943-I1970 HydrophobicContact CB-CG1 4.25Å; V1943-I1970 PolarHBondContact N-O 3.03Å; V1943-I1970 PolarHBondContact O-N 3.01Å |
| 1944 | E | 88.5 | Confident | 72.1 | Confident | 48.75 Ų | 48.75 | 44.8 Ų | 44.8 | 23% | 0.228 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 125 | 171.7 | -66.5 | -178.6 | 169.5 | 0 | 0 | 109.5 | H1798 V1799 V1800 V1801 G1968 | H1798-E1944 IonicContact CD2-OE1 3.18Å; H1798-E1944 IonicContact CE1-OE1 3.67Å; H1798-E1944 IonicContact CE1-OE2 3.62Å; H1798-E1944 PolarHBondContact CE1-OE2 3.25Å; H1798-E1944 WeakPolarHBondContact NE2-CG 3.26Å; H1798-E1944 IonicContact NE2-OE1 3.43Å; H1798-E1944 PolarHBondContact NE2-OE1 2.81Å; H1798-E1944 IonicContact NE2-OE2 3.32Å; H1798-E1944 PolarHBondContact NE2-OE2 2.88Å; V1799-E1944 PolarHBondContact O-N 3.06Å; V1800-E1944 CarbonylContact C-O 3.55Å; V1800-E1944 WeakPolarHBondContact CA-O 3.29Å; V1800-E1944 HydrophobicContact CG1-CB 4.3Å; V1800-E1944 HydrophobicContact CG2-CB 4.32Å; V1800-E1944 WeakPolarHBondContact CG2-OE2 3.41Å; V1801-E1944 PolarHBondContact N-O 3.13Å; E1944-G1968 CarbonylContact C-O 3.57Å; E1944-G1968 WeakPolarHBondContact CA-O 3.39Å |
| 1945 | L | 89.2 | Confident | 74 | Confident | 22.75 Ų | 22.75 | 42.4 Ų | 42.4 | 12% | 0.119 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 117.9 | 175 | -56.4 | 176.8 | 0 | 0 | 0 | 106.9 | V1801 V1804 V1943 M1948 H1967 G1968 I1970 F1994 | V1801-L1945 HydrophobicContact CB-CD2 3.79Å; V1801-L1945 HydrophobicContact CG2-CD2 3.69Å; V1801-L1945 WeakPolarHBondContact O-CA 3.32Å; V1804-L1945 HydrophobicContact CG2-CD2 4.38Å; V1943-L1945 HydrophobicContact CG1-CD2 3.99Å; V1943-L1945 HydrophobicContact CG1-CG 4.4Å; L1945-M1948 HydrophobicContact CB-SD 4.45Å; L1945-M1948 HydrophobicContact CD1-SD 3.85Å; L1945-H1967 CarbonylContact O-C 3.54Å; L1945-H1967 WeakPolarHBondContact O-CA 3.32Å; L1945-G1968 WeakPolarHBondContact CB-O 3.49Å; L1945-G1968 PolarHBondContact N-O 3.03Å; L1945-G1968 PolarHBondContact O-N 3.1Å; L1945-I1970 HydrophobicContact CD1-CD1 3.85Å; L1945-I1970 HydrophobicContact CD1-CG1 4.44Å; L1945-I1970 HydrophobicContact CG-CD1 4.47Å; L1945-F1994 HydrophobicContact CD1-CE1 4.25Å |
| 1946 | I | 88.7 | Confident | 76 | Confident | 35.5 Ų | 35.5 | 43.1 Ų | 43.1 | 18% | 0.182 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 127.6 | -179.7 | -58.4 | 171.4 | 0 | 0 | 0 | 108.1 | V1800 V1801 R1802 N1803 | V1800-I1946 HydrophobicContact CG1-CD1 3.77Å; V1800-I1946 HydrophobicContact CG1-CG1 4.35Å; V1801-I1946 PolarHBondContact O-N 2.87Å; R1802-I1946 CarbonylContact C-O 3.52Å; R1802-I1946 WeakPolarHBondContact CA-O 3.21Å; R1802-I1946 HydrophobicContact CG-CB 4.24Å; R1802-I1946 HydrophobicContact CG-CD1 4.21Å; N1803-I1946 PolarHBondContact N-O 3.13Å |
| 1947 | S | 88.7 | Confident | 77.7 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.007 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 55.9 | 56.7 | 177.5 | -51.9 | 0 | 0 | 0 | 0 | 112.3 | N1803 V1804 A1965 A1966 E2128 | N1803-S1947 VanDerWaalsContact CA-O 3.28Å; N1803-S1947 WeakPolarHBondContact CA-O 3.44Å; N1803-S1947 WeakPolarHBondContact OD1-CB 3.27Å; V1804-S1947 PolarHBondContact N-O 2.87Å; S1947-A1965 CarbonylContact C-O 3.57Å; S1947-A1965 WeakPolarHBondContact CA-O 3.3Å; S1947-A1965 PolarHBondContact N-O 3.08Å; S1947-A1966 PolarHBondContact N-O 3.19Å; S1947-E2128 WeakPolarHBondContact OG-CG 3.31Å; S1947-E2128 PolarHBondContact OG-OE1 3.12Å |
| 1948 | M | 90.1 | Very high | 79.2 | Confident | 35.75 Ų | 35.75 | 38.6 Ų | 38.6 | 18% | 0.176 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 140.6 | 179.3 | 156.4 | 175.2 | 176.4 | 0 | 0 | 111.1 | V1804 L1945 V1950 T1964 A1965 F1994 | V1804-M1948 HydrophobicContact CB-CB 4.39Å; V1804-M1948 HydrophobicContact CB-CG 4.34Å; V1804-M1948 CarbonylContact O-C 3.52Å; L1945-M1948 HydrophobicContact CB-SD 4.45Å; L1945-M1948 HydrophobicContact CD1-SD 3.85Å; M1948-V1950 HydrophobicContact CE-CG2 3.33Å; M1948-V1950 HydrophobicContact CG-CG2 4.13Å; M1948-V1950 HydrophobicContact SD-CG2 4.48Å; M1948-T1964 CarbonylContact O-C 3.51Å; M1948-T1964 WeakPolarHBondContact O-CA 3.35Å; M1948-T1964 WeakPolarHBondContact O-CB 3.34Å; M1948-A1965 HydrophobicContact CB-CB 4.47Å; M1948-A1965 HydrophobicContact CE-CB 3.38Å; M1948-A1965 HydrophobicContact CG-CB 3.74Å; M1948-A1965 PolarHBondContact N-O 3.14Å; M1948-A1965 PolarHBondContact O-N 2.94Å; M1948-A1965 HydrophobicContact SD-CB 4.14Å; M1948-F1994 HydrophobicContact CE-CD1 3.44Å; M1948-F1994 VanDerWaalsContact CE-CD1 3.44Å; M1948-F1994 HydrophobicContact CE-CE1 3.4Å; M1948-F1994 HydrophobicContact CE-CG 4.18Å; M1948-F1994 HydrophobicContact CE-CZ 4.1Å; M1948-F1994 HydrophobicContact SD-CD1 4.02Å; M1948-F1994 HydrophobicContact SD-CE1 3.92Å; M1948-F1994 VanDerWaalsContact SD-CE1 3.59Å; M1948-F1994 HydrophobicContact SD-CZ 4.48Å |
| 1949 | Q | 91.1 | Very high | 80.7 | Confident | 7.75 Ų | 7.75 | 37.4 Ų | 37.4 | 4% | 0.036 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 127.1 | 175.1 | -56.1 | -173.2 | 43.6 | 0 | 0 | 109.2 | V1804 K1805 A1806 L1962 C1963 T1964 W2121 L2122 I2127 | V1804-Q1949 PolarHBondContact O-N 3.15Å; K1805-Q1949 CarbonylContact C-O 3.53Å; K1805-Q1949 VanDerWaalsContact CA-O 3.31Å; K1805-Q1949 WeakPolarHBondContact CA-O 3.37Å; A1806-Q1949 PolarHBondContact N-O 3.21Å; Q1949-L1962 HydrophobicContact CB-CD1 4.3Å; Q1949-C1963 CarbonylContact C-O 3.56Å; Q1949-C1963 WeakPolarHBondContact CA-O 3.35Å; Q1949-T1964 HydrophobicContact CB-CG2 4.31Å; Q1949-T1964 HydrophobicContact CG-CG2 3.92Å; Q1949-W2121 HydrophobicContact CB-CE3 3.82Å; Q1949-W2121 HydrophobicContact CB-CZ3 3.78Å; Q1949-L2122 PolarHBondContact NE2-O 3.3Å; Q1949-I2127 VanDerWaalsContact CD-CD1 3.4Å; Q1949-I2127 HydrophobicContact CG-CD1 3.57Å |
| 1950 | V | 90.8 | Very high | 82.5 | Confident | 26.75 Ų | 26.75 | 36.7 Ų | 36.7 | 16% | 0.162 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 116.8 | -179.9 | -174.9 | 0 | 0 | 0 | 0 | 109.5 | A1806 M1948 L1952 L1962 C1963 | A1806-V1950 HydrophobicContact CB-CG1 4.25Å; A1806-V1950 HydrophobicContact CB-CG2 4.19Å; A1806-V1950 CarbonylContact O-C 3.53Å; A1806-V1950 WeakPolarHBondContact O-CA 3.35Å; M1948-V1950 HydrophobicContact CE-CG2 3.33Å; M1948-V1950 HydrophobicContact CG-CG2 4.13Å; M1948-V1950 HydrophobicContact SD-CG2 4.48Å; V1950-L1952 HydrophobicContact CG1-CD2 3.79Å; V1950-L1952 HydrophobicContact CG1-CG 4.43Å; V1950-L1962 CarbonylContact O-C 3.48Å; V1950-L1962 WeakPolarHBondContact O-CA 3.42Å; V1950-C1963 HydrophobicContact CB-CB 4.46Å; V1950-C1963 PolarHBondContact N-O 2.95Å; V1950-C1963 PolarHBondContact O-N 2.96Å |
| 1951 | A | 89.5 | Confident | 83.8 | Confident | 1.25 Ų | 1.25 | 37.3 Ų | 37.3 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 121.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | A1806 I1807 W1808 Y1960 I1961 L1962 V2119 W2121 | A1806-A1951 PolarHBondContact O-N 3.22Å; I1807-A1951 CarbonylContact C-O 3.58Å; I1807-A1951 WeakPolarHBondContact CA-O 3.32Å; I1807-A1951 HydrophobicContact CG1-CB 4.44Å; I1807-A1951 HydrophobicContact CG2-CB 4.38Å; W1808-A1951 PolarHBondContact N-O 3.14Å; A1951-Y1960 HydrophobicContact CB-CD2 4.36Å; A1951-I1961 CarbonylContact C-O 3.47Å; A1951-I1961 WeakPolarHBondContact CA-O 3.43Å; A1951-L1962 HydrophobicContact CB-CD1 4.07Å; A1951-V2119 HydrophobicContact CB-CG1 3.87Å; A1951-V2119 HydrophobicContact CB-CG2 4.06Å; A1951-W2121 HydrophobicContact CB-CH2 4.27Å; A1951-W2121 HydrophobicContact CB-CZ3 4.49Å |
| 1952 | L | 89.3 | Confident | 84.6 | Confident | 34.75 Ų | 34.75 | 34.9 Ų | 34.9 | 18% | 0.182 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 122.6 | 176.5 | -53.2 | 179.3 | 0 | 0 | 0 | 108.7 | W1808 V1950 Y1960 I1961 V2233 L2237 I2238 | W1808-L1952 HydrophobicContact CB-CD2 3.69Å; W1808-L1952 HydrophobicContact CG-CD2 4.34Å; V1950-L1952 HydrophobicContact CG1-CD2 3.79Å; V1950-L1952 HydrophobicContact CG1-CG 4.43Å; L1952-Y1960 WeakPolarHBondContact O-CA 3.38Å; L1952-Y1960 WeakPolarHBondContact O-CB 3.28Å; L1952-I1961 HydrophobicContact CB-CB 4.45Å; L1952-I1961 PolarHBondContact N-O 3.06Å; L1952-I1961 PolarHBondContact O-N 3.08Å; L1952-V2233 HydrophobicContact CB-CG1 3.86Å; L1952-V2233 HydrophobicContact CB-CG2 4.18Å; L1952-V2233 HydrophobicContact CD1-CG1 3.68Å; L1952-V2233 HydrophobicContact CG-CG1 4.39Å; L1952-L2237 HydrophobicContact CB-CD1 4.26Å; L1952-I2238 HydrophobicContact CD1-CD1 4.49Å |
| 1953 | K | 84.5 | Confident | 85.1 | Confident | 60.5 Ų | 60.5 | 35.7 Ų | 35.7 | 26% | 0.263 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 117.6 | 178.5 | -176.8 | 170.3 | -177.6 | -179.6 | 0 | 110.8 | W1808 T1809 S2115 L2237 | W1808-K1953 PolarHBondContact O-N 3.05Å; T1809-K1953 HydrophobicContact CG2-CB 4.22Å; K1953-S2115 PolarHBondContact NZ-O 2.94Å; K1953-S2115 PolarHBondContact NZ-OG 2.87Å; K1953-S2115 VanDerWaalsContact NZ-OG 3.08Å; K1953-L2237 WeakPolarHBondContact O-CD1 3.46Å |
| 1954 | G | 79.1 | Confident | 85.3 | Confident | 15 Ų | 15 | 34.4 Ų | 34.4 | 16% | 0.155 | 20% | 0.195 | C | C | . | . | trans | -70.6 | -179.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | D2232 | G1954-D2232 WeakPolarHBondContact CA-OD1 3.44Å; G1954-D2232 WeakPolarHBondContact CA-OD2 3.44Å | ||
| 1955 | C | 76.7 | Confident | 85.4 | Confident | 68.75 Ų | 68.75 | 32.2 Ų | 32.2 | 47% | 0.465 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -97.9 | -33.1 | 178.2 | -5.2 | 0 | 0 | 0 | 0 | 113.4 | T1810 D2232 N2236 | T1810-C1955 HydrophobicContact CG2-CB 4.08Å; T1810-C1955 WeakPolarHBondContact CG2-SG 3.38Å; C1955-D2232 PolarHBondContact N-OD1 2.96Å; C1955-D2232 VanDerWaalsContact N-OD1 3.08Å; C1955-D2232 PolarHBondContact N-OD2 3.32Å; C1955-N2236 PolarHBondContact SG-ND2 2.92Å |
| 1956 | D | 76.9 | Confident | 85.4 | Confident | 137 Ų | 137 | 31.9 Ų | 31.9 | 73% | 0.733 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -100.5 | -19.3 | -168.2 | -55.7 | -36.5 | 0 | 0 | 0 | 111.9 | D2232 N2236 | D1956-D2232 PolarHBondContact N-OD2 3.04Å; D1956-N2236 PolarHBondContact OD2-ND2 3.16Å |
| 1957 | T | 74.9 | Confident | 85.5 | Confident | 41.75 Ų | 41.75 | 33.2 Ų | 33.2 | 26% | 0.256 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -108.1 | 140.9 | -176.9 | 55.4 | 0 | 0 | 0 | 0 | 112.7 | G1959 M2229 D2232 | T1957-G1959 PolarHBondContact O-N 2.92Å; T1957-G1959 VanDerWaalsContact O-N 3.15Å; T1957-M2229 HydrophobicContact CG2-CG 4.19Å; T1957-D2232 WeakPolarHBondContact CB-OD2 3.37Å; T1957-D2232 HydrophobicContact CG2-CB 3.99Å; T1957-D2232 PolarHBondContact N-OD2 2.93Å; T1957-D2232 PolarHBondContact OG1-OD2 3.04Å |
| 1958 | T | 72.5 | Confident | 85.5 | Confident | 93.25 Ų | 93.25 | 33.1 Ų | 33.1 | 57% | 0.572 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -80 | 125.8 | 167.3 | 47.6 | 0 | 0 | 0 | 0 | 109.2 | P2005 M2229 | T1958-P2005 VanDerWaalsContact C-CG 3.4Å; T1958-P2005 WeakPolarHBondContact O-CB 3.05Å; T1958-P2005 WeakPolarHBondContact O-CG 3.4Å; T1958-P2005 WeakPolarHBondContact OG1-CG 3.5Å; T1958-M2229 VanDerWaalsContact O-SD 3.4Å |
| 1959 | G | 78.6 | Confident | 85.4 | Confident | 15.5 Ų | 15.5 | 34.6 Ų | 34.6 | 16% | 0.16 | 19% | 0.194 | C | C | . | . | S | Bend | trans | 131.4 | -173.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T1957 T2002 | T1957-G1959 PolarHBondContact O-N 2.92Å; T1957-G1959 VanDerWaalsContact O-N 3.15Å; G1959-T2002 WeakPolarHBondContact CA-OG1 3.37Å |
| 1960 | Y | 84.5 | Confident | 85.3 | Confident | 26.25 Ų | 26.25 | 35.9 Ų | 35.9 | 10% | 0.103 | 20% | 0.201 | C | C | . | . | trans | -152.6 | 157.4 | 171.8 | 61.5 | -89.6 | 0 | 0 | 0 | 111.2 | A1951 L1952 L1962 T2002 Q2118 V2119 Q2120 L2164 | A1951-Y1960 HydrophobicContact CB-CD2 4.36Å; L1952-Y1960 WeakPolarHBondContact O-CA 3.38Å; L1952-Y1960 WeakPolarHBondContact O-CB 3.28Å; Y1960-L1962 HydrophobicContact CD2-CB 4.43Å; Y1960-L1962 HydrophobicContact CE2-CB 4.38Å; Y1960-T2002 HydrophobicContact CD1-CG2 3.73Å; Y1960-T2002 HydrophobicContact CD2-CG2 4.46Å; Y1960-T2002 HydrophobicContact CE1-CG2 3.5Å; Y1960-T2002 VanDerWaalsContact CE1-CG2 3.47Å; Y1960-T2002 HydrophobicContact CE2-CG2 4.29Å; Y1960-T2002 HydrophobicContact CG-CG2 4.22Å; Y1960-T2002 PolarHBondContact N-OG1 3.34Å; Y1960-T2002 PolarHBondContact O-N 2.99Å; Y1960-Q2118 WeakPolarHBondContact CE1-O 3.48Å; Y1960-Q2118 PolarHBondContact OH-O 3.08Å; Y1960-V2119 HydrophobicContact CD2-CG1 4.29Å; Y1960-V2119 HydrophobicContact CE2-CG1 3.88Å; Y1960-Q2120 WeakPolarHBondContact OH-CB 3.32Å; Y1960-Q2120 PolarHBondContact OH-N 3.02Å; Y1960-L2164 HydrophobicContact CE2-CD2 3.97Å | ||
| 1961 | I | 88.5 | Confident | 85.1 | Confident | 30 Ų | 30 | 35.3 Ų | 35.3 | 15% | 0.154 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 125.3 | 172.6 | -59 | 176 | 0 | 0 | 0 | 108 | A1951 L1952 Y1999 F2000 A2001 M2229 I2230 V2233 | A1951-I1961 CarbonylContact C-O 3.47Å; A1951-I1961 WeakPolarHBondContact CA-O 3.43Å; L1952-I1961 HydrophobicContact CB-CB 4.45Å; L1952-I1961 PolarHBondContact N-O 3.06Å; L1952-I1961 PolarHBondContact O-N 3.08Å; I1961-Y1999 HydrophobicContact CG2-CD1 4.31Å; I1961-F2000 CarbonylContact C-O 3.53Å; I1961-F2000 VanDerWaalsContact CA-O 3.3Å; I1961-F2000 WeakPolarHBondContact CA-O 3.36Å; I1961-F2000 WeakPolarHBondContact CG2-O 3.48Å; I1961-A2001 HydrophobicContact CG1-CB 4.43Å; I1961-M2229 HydrophobicContact CD1-CB 4.37Å; I1961-M2229 HydrophobicContact CG1-CB 4.42Å; I1961-I2230 HydrophobicContact CD1-CB 4.27Å; I1961-I2230 HydrophobicContact CD1-CG1 3.57Å; I1961-V2233 HydrophobicContact CD1-CB 4.27Å; I1961-V2233 HydrophobicContact CD1-CG2 4.02Å; I1961-V2233 HydrophobicContact CG1-CG2 4.47Å |
| 1962 | L | 89.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 109.5 | 174.9 | -173.7 | 72.9 | 0 | 0 | 0 | 109.6 | Q1949 V1950 A1951 Y1960 T1964 Y1999 F2000 V2119 W2121 L2122 L2164 | Q1949-L1962 HydrophobicContact CB-CD1 4.3Å; V1950-L1962 CarbonylContact O-C 3.48Å; V1950-L1962 WeakPolarHBondContact O-CA 3.42Å; A1951-L1962 HydrophobicContact CB-CD1 4.07Å; Y1960-L1962 HydrophobicContact CD2-CB 4.43Å; Y1960-L1962 HydrophobicContact CE2-CB 4.38Å; L1962-T1964 HydrophobicContact CD2-CG2 4.1Å; L1962-T1964 HydrophobicContact CG-CG2 4.02Å; L1962-Y1999 WeakPolarHBondContact O-CA 3.39Å; L1962-F2000 HydrophobicContact CB-CB 4.31Å; L1962-F2000 PolarHBondContact N-O 2.83Å; L1962-F2000 PolarHBondContact O-N 3.07Å; L1962-V2119 HydrophobicContact CD1-CG1 4.46Å; L1962-W2121 HydrophobicContact CD1-CE3 4.11Å; L1962-W2121 HydrophobicContact CD1-CZ3 3.9Å; L1962-L2122 HydrophobicContact CD2-CD1 3.88Å; L1962-L2122 HydrophobicContact CD2-CD2 4.47Å; L1962-L2122 HydrophobicContact CD2-CG 3.71Å; L1962-L2164 HydrophobicContact CD2-CD1 4.44Å |
| 1963 | C | 90.2 | Very high | 84.4 | Confident | 18.5 Ų | 18.5 | 36 Ų | 36 | 13% | 0.125 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 125.7 | 171.5 | -70.6 | 0 | 0 | 0 | 0 | 108.9 | Q1949 V1950 M1997 Y1999 | Q1949-C1963 CarbonylContact C-O 3.56Å; Q1949-C1963 WeakPolarHBondContact CA-O 3.35Å; V1950-C1963 HydrophobicContact CB-CB 4.46Å; V1950-C1963 PolarHBondContact N-O 2.95Å; V1950-C1963 PolarHBondContact O-N 2.96Å; C1963-M1997 WeakPolarHBondContact SG-CE 3.33Å; C1963-Y1999 HydrophobicContact CB-CD1 4.14Å; C1963-Y1999 HydrophobicContact CB-CE1 4.18Å; C1963-Y1999 WeakPolarHBondContact SG-CD1 3.23Å; C1963-Y1999 VanDerWaalsContact SG-CE1 3.54Å; C1963-Y1999 WeakPolarHBondContact SG-CE1 3.39Å |
| 1964 | T | 90.4 | Very high | 84 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 153.7 | 176 | 67.2 | 0 | 0 | 0 | 0 | 111.3 | M1948 Q1949 L1962 M1997 Q1998 F2000 L2122 I2127 | M1948-T1964 CarbonylContact O-C 3.51Å; M1948-T1964 WeakPolarHBondContact O-CA 3.35Å; M1948-T1964 WeakPolarHBondContact O-CB 3.34Å; Q1949-T1964 HydrophobicContact CB-CG2 4.31Å; Q1949-T1964 HydrophobicContact CG-CG2 3.92Å; L1962-T1964 HydrophobicContact CD2-CG2 4.1Å; L1962-T1964 HydrophobicContact CG-CG2 4.02Å; T1964-M1997 CarbonylContact O-C 3.58Å; T1964-M1997 VanDerWaalsContact O-CA 3.24Å; T1964-M1997 WeakPolarHBondContact O-CA 3.41Å; T1964-M1997 VanDerWaalsContact O-CG 3.29Å; T1964-M1997 WeakPolarHBondContact O-CG 3.27Å; T1964-Q1998 PolarHBondContact N-O 2.94Å; T1964-Q1998 PolarHBondContact O-N 3.06Å; T1964-Q1998 WeakPolarHBondContact OG1-CB 3.36Å; T1964-Q1998 PolarHBondContact OG1-O 3.32Å; T1964-Q1998 PolarHBondContact OG1-OE1 3.1Å; T1964-Q1998 VanDerWaalsContact OG1-OE1 3.07Å; T1964-F2000 HydrophobicContact CG2-CD2 4.34Å; T1964-F2000 HydrophobicContact CG2-CE2 4.23Å; T1964-L2122 HydrophobicContact CG2-CD1 4.12Å; T1964-I2127 HydrophobicContact CG2-CD1 4.35Å; T1964-I2127 HydrophobicContact CG2-CG1 4.41Å |
| 1965 | A | 90.5 | Very high | 83.8 | Confident | 2.75 Ų | 2.75 | 35.5 Ų | 35.5 | 2% | 0.023 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 132.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | S1947 M1948 F1994 M1997 | S1947-A1965 CarbonylContact C-O 3.57Å; S1947-A1965 WeakPolarHBondContact CA-O 3.3Å; S1947-A1965 PolarHBondContact N-O 3.08Å; M1948-A1965 HydrophobicContact CB-CB 4.47Å; M1948-A1965 HydrophobicContact CE-CB 3.38Å; M1948-A1965 HydrophobicContact CG-CB 3.74Å; M1948-A1965 PolarHBondContact N-O 3.14Å; M1948-A1965 PolarHBondContact O-N 2.94Å; M1948-A1965 HydrophobicContact SD-CB 4.14Å; A1965-F1994 HydrophobicContact CB-CB 4.46Å; A1965-F1994 HydrophobicContact CB-CD1 4.11Å; A1965-M1997 HydrophobicContact CB-CB 4.36Å; A1965-M1997 HydrophobicContact CB-CG 4.23Å |
| 1966 | A | 88.7 | Confident | 83.6 | Confident | 15.5 Ų | 15.5 | 36.7 Ų | 36.7 | 13% | 0.128 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | -47 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S1947 T1995 G1996 I2127 | S1947-A1966 PolarHBondContact N-O 3.19Å; A1966-T1995 PolarHBondContact N-O 2.87Å; A1966-G1996 PolarHBondContact N-O 3.15Å; A1966-G1996 VanDerWaalsContact N-O 3.1Å; A1966-I2127 HydrophobicContact CB-CG2 4.43Å; A1966-I2127 WeakPolarHBondContact CB-O 3.42Å |
| 1967 | H | 90.1 | Very high | 83.3 | Confident | 62.25 Ų | 62.25 | 30.9 Ų | 30.9 | 29% | 0.288 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 140.2 | 177.4 | 178.6 | 164.5 | 0 | 0 | 0 | 110.8 | L1945 F1994 T1995 | L1945-H1967 CarbonylContact O-C 3.54Å; L1945-H1967 WeakPolarHBondContact O-CA 3.32Å; H1967-F1994 CarbonylContact O-C 3.36Å; H1967-F1994 WeakPolarHBondContact O-CA 3.32Å; H1967-T1995 WeakPolarHBondContact CB-OG1 3.42Å; H1967-T1995 PolarHBondContact N-O 3.06Å; H1967-T1995 VanDerWaalsContact N-O 3.13Å; H1967-T1995 PolarHBondContact O-N 3.18Å; H1967-T1995 PolarHBondContact O-OG1 3.14Å; H1967-T1995 VanDerWaalsContact O-OG1 3.13Å |
| 1968 | G | 88.7 | Confident | 83.1 | Confident | 0.5 Ų | 0.5 | 31.3 Ų | 31.3 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 125.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | E1944 L1945 R1993 F1994 | E1944-G1968 CarbonylContact C-O 3.57Å; E1944-G1968 WeakPolarHBondContact CA-O 3.39Å; L1945-G1968 WeakPolarHBondContact CB-O 3.49Å; L1945-G1968 PolarHBondContact N-O 3.03Å; L1945-G1968 PolarHBondContact O-N 3.1Å; G1968-R1993 CarbonylContact C-O 3.55Å; G1968-R1993 VanDerWaalsContact CA-O 3.29Å; G1968-R1993 WeakPolarHBondContact CA-O 3.37Å; G1968-F1994 VanDerWaalsContact CA-CD1 3.49Å |
| 1969 | R | 88.6 | Confident | 82.8 | Confident | 65.75 Ų | 65.75 | 33.5 Ų | 33.5 | 25% | 0.248 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 116.8 | 179.1 | -172.6 | 174.7 | 174.6 | -161.6 | -7.1 | 109.7 | D1793 V1943 V1971 T1992 R1993 | D1793-R1969 VanDerWaalsContact CB-NH2 3.32Å; D1793-R1969 VanDerWaalsContact CG-NH2 3.27Å; D1793-R1969 IonicContact OD1-CZ 2.8Å; D1793-R1969 IonicContact OD1-NH1 2.65Å; D1793-R1969 IonicContact OD1-NH2 2.73Å; D1793-R1969 PolarHBondContact OD1-NH2 3.41Å; D1793-R1969 IonicContact OD2-CZ 3.14Å; D1793-R1969 IonicContact OD2-NH1 2.91Å; D1793-R1969 PolarHBondContact OD2-NH1 3.12Å; D1793-R1969 IonicContact OD2-NH2 3.19Å; D1793-R1969 PolarHBondContact OD2-NH2 3.07Å; V1943-R1969 CarbonylContact O-C 3.58Å; V1943-R1969 WeakPolarHBondContact O-CA 3.29Å; R1969-V1971 HydrophobicContact CG-CG2 4.16Å; R1969-T1992 CarbonylContact O-C 3.56Å; R1969-T1992 VanDerWaalsContact O-CA 3.25Å; R1969-T1992 WeakPolarHBondContact O-CA 3.22Å; R1969-R1993 PolarHBondContact N-O 3.2Å; R1969-R1993 PolarHBondContact O-N 3.17Å |
| 1970 | I | 89.2 | Confident | 82 | Confident | 36.25 Ų | 36.25 | 36.2 Ų | 36.2 | 19% | 0.186 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 124 | 177.1 | -50.9 | 175.8 | 0 | 0 | 0 | 108.1 | A1942 V1943 L1945 W1990 V1991 T1992 | A1942-I1970 CarbonylContact C-O 3.5Å; A1942-I1970 WeakPolarHBondContact CA-O 3.4Å; V1943-I1970 HydrophobicContact CB-CB 4.17Å; V1943-I1970 HydrophobicContact CB-CG1 4.25Å; V1943-I1970 PolarHBondContact N-O 3.03Å; V1943-I1970 PolarHBondContact O-N 3.01Å; L1945-I1970 HydrophobicContact CD1-CD1 3.85Å; L1945-I1970 HydrophobicContact CD1-CG1 4.44Å; L1945-I1970 HydrophobicContact CG-CD1 4.47Å; I1970-W1990 HydrophobicContact CG2-CE3 3.84Å; I1970-W1990 HydrophobicContact CG2-CZ3 4.17Å; I1970-V1991 CarbonylContact C-O 3.52Å; I1970-V1991 WeakPolarHBondContact CA-O 3.37Å; I1970-T1992 HydrophobicContact CB-CG2 4.16Å; I1970-T1992 HydrophobicContact CD1-CG2 4.42Å; I1970-T1992 HydrophobicContact CG1-CG2 3.75Å; I1970-T1992 HydrophobicContact CG2-CG2 3.94Å |
| 1971 | V | 85.4 | Confident | 80.9 | Confident | 14.5 Ų | 14.5 | 38.1 Ų | 38.1 | 9% | 0.088 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 121.4 | -178.1 | 173.2 | 0 | 0 | 0 | 0 | 109.2 | L1939 I1940 I1941 A1942 R1969 K1973 W1990 V1991 | L1939-V1971 HydrophobicContact CD1-CG1 3.7Å; L1939-V1971 HydrophobicContact CD2-CG1 4.34Å; L1939-V1971 HydrophobicContact CG-CG1 4.15Å; I1940-V1971 HydrophobicContact CG1-CG1 4.22Å; I1940-V1971 HydrophobicContact CG2-CB 4.38Å; I1940-V1971 HydrophobicContact CG2-CG1 3.53Å; I1940-V1971 VanDerWaalsContact CG2-CG1 3.43Å; I1940-V1971 HydrophobicContact CG2-CG2 4.12Å; I1941-V1971 CarbonylContact O-C 3.46Å; I1941-V1971 VanDerWaalsContact O-CA 3.29Å; I1941-V1971 WeakPolarHBondContact O-CA 3.42Å; A1942-V1971 HydrophobicContact CB-CG2 4.42Å; R1969-V1971 HydrophobicContact CG-CG2 4.16Å; V1971-K1973 HydrophobicContact CG1-CD 4.44Å; V1971-K1973 HydrophobicContact CG1-CG 3.97Å; V1971-W1990 CarbonylContact O-C 3.48Å; V1971-W1990 WeakPolarHBondContact O-CA 3.29Å; V1971-V1991 PolarHBondContact N-O 3.16Å; V1971-V1991 PolarHBondContact O-N 3.01Å |
| 1972 | N | 85.1 | Confident | 79.6 | Confident | 17 Ų | 17 | 44 Ų | 44 | 9% | 0.091 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 124.6 | 169.8 | -177.2 | -9.2 | 0 | 0 | 0 | 109.8 | I1940 I1941 T1989 W1990 | I1940-N1972 WeakPolarHBondContact CA-O 3.46Å; I1941-N1972 HydrophobicContact CB-CB 4.22Å; I1941-N1972 PolarHBondContact N-O 3.2Å; I1941-N1972 PolarHBondContact O-N 3.16Å; N1972-T1989 CarbonylContact C-O 3.54Å; N1972-T1989 VanDerWaalsContact CA-O 3.27Å; N1972-T1989 WeakPolarHBondContact CA-O 3.41Å; N1972-T1989 PolarHBondContact OD1-O 2.9Å; N1972-W1990 HydrophobicContact CB-CD2 3.98Å; N1972-W1990 HydrophobicContact CB-CE3 3.78Å; N1972-W1990 HydrophobicContact CB-CH2 4.02Å; N1972-W1990 HydrophobicContact CB-CZ2 4.21Å; N1972-W1990 HydrophobicContact CB-CZ3 3.8Å; N1972-W1990 WeakPolarHBondContact ND2-CH2 3.38Å; N1972-W1990 WeakPolarHBondContact ND2-CZ2 3.23Å |
| 1973 | K | 78.8 | Confident | 78.3 | Confident | 33.5 Ų | 33.5 | 47.5 Ų | 47.5 | 15% | 0.146 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 134.6 | 173.7 | -56.2 | 180 | 178.3 | -174.6 | 0 | 109.6 | C1912 E1914 V1917 S1920 I1940 V1971 H1975 S1988 T1989 | C1912-K1973 PolarHBondContact O-NZ 3.08Å; E1914-K1973 IonicContact OE1-NZ 3.52Å; E1914-K1973 PolarHBondContact OE1-NZ 3.29Å; V1917-K1973 HydrophobicContact CG1-CB 4.14Å; V1917-K1973 HydrophobicContact CG1-CD 4.03Å; V1917-K1973 HydrophobicContact CG1-CG 4.38Å; V1917-K1973 HydrophobicContact CG2-CB 4.48Å; V1917-K1973 HydrophobicContact CG2-CD 4.13Å; S1920-K1973 PolarHBondContact OG-NZ 2.83Å; I1940-K1973 HydrophobicContact CG1-CG 4.49Å; V1971-K1973 HydrophobicContact CG1-CD 4.44Å; V1971-K1973 HydrophobicContact CG1-CG 3.97Å; K1973-H1975 WeakPolarHBondContact CB-NE2 3.48Å; K1973-H1975 PolarHBondContact O-CD2 3.4Å; K1973-S1988 CarbonylContact O-C 3.57Å; K1973-S1988 VanDerWaalsContact O-CA 3.24Å; K1973-S1988 WeakPolarHBondContact O-CA 3.37Å; K1973-T1989 WeakPolarHBondContact CB-OG1 3.41Å; K1973-T1989 PolarHBondContact N-O 3.15Å; K1973-T1989 PolarHBondContact O-N 2.99Å |
| 1974 | I | 76.3 | Confident | 77.2 | Confident | 62 Ų | 62 | 48.4 Ų | 48.4 | 32% | 0.318 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 127.3 | 173.6 | -60.9 | 174.1 | 0 | 0 | 0 | 108.5 | V1917 L1918 F1919 L1939 I1940 | V1917-I1974 VanDerWaalsContact CG1-O 3.23Å; V1917-I1974 WeakPolarHBondContact CG1-O 3.22Å; L1918-I1974 HydrophobicContact CD1-CG2 4.22Å; L1918-I1974 PolarHBondContact N-O 3.12Å; L1918-I1974 VanDerWaalsContact N-O 3.13Å; F1919-I1974 HydrophobicContact CD2-CB 4.39Å; F1919-I1974 HydrophobicContact CD2-CD1 4.48Å; F1919-I1974 HydrophobicContact CE2-CD1 4.2Å; L1939-I1974 HydrophobicContact CD2-CD1 4.07Å; L1939-I1974 HydrophobicContact CG-CD1 4.48Å; I1940-I1974 HydrophobicContact CD1-CB 3.87Å; I1940-I1974 HydrophobicContact CD1-CD1 4.21Å; I1940-I1974 HydrophobicContact CD1-CG1 3.87Å; I1940-I1974 HydrophobicContact CG1-CD1 3.99Å; I1940-I1974 HydrophobicContact CG1-CG1 4.19Å; I1940-I1974 HydrophobicContact CG2-CD1 4.22Å |
| 1975 | H | 76 | Confident | 76.4 | Confident | 3.25 Ų | 3.25 | 49 Ų | 49 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -105.7 | 171.1 | -173 | -62 | -106.2 | 0 | 0 | 0 | 111.6 | Q1913 D1916 V1917 L1918 K1973 K1987 T1989 | Q1913-H1975 PolarHBondContact O-CE1 2.91Å; D1916-H1975 HydrophobicContact CB-CB 4.49Å; D1916-H1975 CarbonylContact O-C 3.58Å; D1916-H1975 VanDerWaalsContact O-CA 3.24Å; D1916-H1975 WeakPolarHBondContact O-CA 3.24Å; D1916-H1975 VanDerWaalsContact O-CB 3.3Å; D1916-H1975 WeakPolarHBondContact O-CB 3.36Å; D1916-H1975 IonicContact OD1-CE1 3.12Å; D1916-H1975 IonicContact OD1-CG 3.03Å; D1916-H1975 IonicContact OD1-ND1 3.46Å; D1916-H1975 PolarHBondContact OD1-ND1 3.25Å; D1916-H1975 WeakPolarHBondContact OD2-CB 3.25Å; D1916-H1975 IonicContact OD2-CG 3.19Å; D1916-H1975 IonicContact OD2-ND1 3.87Å; V1917-H1975 WeakPolarHBondContact CG2-CE1 3.32Å; L1918-H1975 WeakPolarHBondContact CD1-O 3.4Å; K1973-H1975 WeakPolarHBondContact CB-NE2 3.48Å; K1973-H1975 PolarHBondContact O-CD2 3.4Å; H1975-K1987 HydrophobicContact CB-CB 3.9Å; H1975-K1987 HydrophobicContact CB-CD 3.75Å; H1975-K1987 HydrophobicContact CB-CG 3.77Å; H1975-K1987 PolarHBondContact N-O 3.26Å; H1975-K1987 VanDerWaalsContact N-O 3.11Å; H1975-K1987 VanDerWaalsContact ND1-CE 3.33Å; H1975-K1987 WeakPolarHBondContact ND1-CE 3.37Å; H1975-K1987 PolarHBondContact ND1-NZ 3.29Å; H1975-T1989 WeakPolarHBondContact NE2-CG2 3.38Å; H1975-T1989 PolarHBondContact NE2-OG1 3.17Å |
| 1976 | Q | 71.5 | Confident | 75.7 | Confident | 92.75 Ų | 92.75 | 49.3 Ų | 49.3 | 43% | 0.433 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -59.9 | 139.9 | 170.3 | -93.4 | 178.4 | -4.1 | 0 | 0 | 110.2 | D1916 L1918 I1978 | D1916-Q1976 HydrophobicContact CB-CB 4.26Å; D1916-Q1976 WeakPolarHBondContact O-CG 3.29Å; D1916-Q1976 PolarHBondContact O-N 2.93Å; L1918-Q1976 HydrophobicContact CD1-CB 4.32Å; L1918-Q1976 HydrophobicContact CD1-CG 4.25Å; L1918-Q1976 HydrophobicContact CD2-CB 4.42Å; L1918-Q1976 HydrophobicContact CD2-CG 3.74Å; L1918-Q1976 VanDerWaalsContact CD2-CG 3.45Å; L1918-Q1976 HydrophobicContact CG-CB 4.18Å; L1918-Q1976 HydrophobicContact CG-CG 3.86Å; L1918-Q1976 VanDerWaalsContact CG-CG 3.44Å; Q1976-I1978 PolarHBondContact O-N 3.1Å |
| 1977 | P | 71.7 | Confident | 75.3 | Confident | 15 Ų | 15 | 48.8 Ų | 48.8 | 10% | 0.097 | 24% | 0.242 | C | C | . | . | trans | -69.4 | 137.6 | 176.2 | 31 | -35.5 | 0 | 0 | 0 | 109.9 | L1984 L1985 F2184 L2192 V2194 | P1977-L1984 HydrophobicContact CB-CD1 3.77Å; P1977-L1984 HydrophobicContact CB-CD2 4.32Å; P1977-L1984 HydrophobicContact CB-CG 3.98Å; P1977-L1984 HydrophobicContact CG-CD1 4.13Å; P1977-L1984 HydrophobicContact CG-CD2 4.39Å; P1977-L1984 HydrophobicContact CG-CG 4.43Å; P1977-L1985 CarbonylContact C-O 3.41Å; P1977-L1985 WeakPolarHBondContact CA-O 3.39Å; P1977-L1985 VanDerWaalsContact CB-O 3.28Å; P1977-L1985 WeakPolarHBondContact CB-O 3.46Å; P1977-F2184 HydrophobicContact CB-CE1 4.07Å; P1977-F2184 HydrophobicContact CB-CE2 3.99Å; P1977-F2184 HydrophobicContact CB-CZ 3.79Å; P1977-F2184 HydrophobicContact CG-CE1 4.39Å; P1977-F2184 HydrophobicContact CG-CE2 4.32Å; P1977-F2184 HydrophobicContact CG-CZ 4.11Å; P1977-L2192 HydrophobicContact CG-CD1 3.83Å; P1977-L2192 HydrophobicContact CG-CD2 3.98Å; P1977-V2194 HydrophobicContact CG-CG2 4.37Å | ||
| 1978 | I | 70.8 | Confident | 74.9 | Confident | 50.25 Ų | 50.25 | 46.9 Ų | 46.9 | 26% | 0.258 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 139.8 | -173.2 | -61.7 | 174.5 | 0 | 0 | 0 | 109.1 | D1916 Q1976 R1980 L1985 K1987 F2180 | D1916-I1978 WeakPolarHBondContact OD2-CD1 3.39Å; Q1976-I1978 PolarHBondContact O-N 3.1Å; I1978-R1980 PolarHBondContact O-N 3.23Å; I1978-L1985 PolarHBondContact N-O 3.07Å; I1978-L1985 PolarHBondContact O-N 2.96Å; I1978-K1987 HydrophobicContact CD1-CB 4.39Å; I1978-K1987 HydrophobicContact CD1-CD 3.69Å; I1978-K1987 HydrophobicContact CG1-CB 4.45Å; I1978-K1987 HydrophobicContact CG1-CD 4.42Å; I1978-F2180 HydrophobicContact CD1-CE1 4.2Å |
| 1979 | W | 64.9 | Low | 74.8 | Confident | 140 Ų | 140 | 46.9 Ų | 46.9 | 53% | 0.53 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 126.4 | 171.2 | -74.2 | 97 | 0 | 0 | 0 | 110.6 | N1982 Q1983 L1984 | W1979-N1982 WeakPolarHBondContact CZ3-O 3.34Å; W1979-Q1983 CarbonylContact C-O 3.52Å; W1979-Q1983 WeakPolarHBondContact CA-O 3.29Å; W1979-Q1983 VanDerWaalsContact CE3-C 3.43Å; W1979-L1984 HydrophobicContact CD2-CB 4.29Å; W1979-L1984 HydrophobicContact CD2-CD1 4.09Å; W1979-L1984 HydrophobicContact CE3-CB 4.23Å; W1979-L1984 HydrophobicContact CG-CD1 4.16Å; W1979-L1984 HydrophobicContact CH2-CB 4.25Å; W1979-L1984 HydrophobicContact CZ2-CB 4.23Å; W1979-L1984 HydrophobicContact CZ2-CD1 4.31Å; W1979-L1984 HydrophobicContact CZ2-CD2 4.44Å; W1979-L1984 HydrophobicContact CZ3-CB 4.21Å |
| 1980 | R | 63.2 | Low | 74.6 | Confident | 72 Ų | 72 | 48.5 Ų | 48.5 | 27% | 0.272 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 124.9 | 171.7 | -169.8 | -171.9 | -132.2 | 179.5 | -3.4 | 108.8 | I1978 N1982 Q1983 L1985 D2206 P2207 D2208 | I1978-R1980 PolarHBondContact O-N 3.23Å; R1980-N1982 VanDerWaalsContact C-N 3.31Å; R1980-N1982 PolarHBondContact O-N 3.28Å; R1980-Q1983 PolarHBondContact N-O 2.87Å; R1980-Q1983 WeakPolarHBondContact O-CA 3.25Å; R1980-Q1983 VanDerWaalsContact O-CB 3.29Å; R1980-Q1983 WeakPolarHBondContact O-CB 3.39Å; R1980-Q1983 PolarHBondContact O-N 3.15Å; R1980-Q1983 VanDerWaalsContact O-O 3.1Å; R1980-L1985 HydrophobicContact CB-CD1 3.91Å; R1980-L1985 HydrophobicContact CB-CG 4.44Å; R1980-L1985 HydrophobicContact CG-CD1 4.48Å; R1980-D2206 IonicContact CZ-OD1 3.52Å; R1980-D2206 IonicContact NE-OD1 3.02Å; R1980-D2206 IonicContact NH2-OD1 3.45Å; R1980-D2206 PolarHBondContact NH2-OD1 2.6Å; R1980-P2207 HydrophobicContact CB-CG 4.36Å; R1980-P2207 HydrophobicContact CG-CG 4Å; R1980-P2207 VanDerWaalsContact CZ-CD 3.4Å; R1980-P2207 PolarHBondContact NH1-O 3.34Å; R1980-P2207 PolarHBondContact NH2-O 2.95Å; R1980-D2208 IonicContact NH2-OD1 3.63Å; R1980-D2208 PolarHBondContact NH2-OD1 3.31Å; R1980-D2208 VanDerWaalsContact NH2-OD1 3.16Å |
| 1981 | A | 60.3 | Low | 74.5 | Confident | 67 Ų | 67 | 48.1 Ų | 48.1 | 55% | 0.554 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.8 | 49.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | Q1983 L2343 | A1981-Q1983 VanDerWaalsContact C-N 3.25Å; A1981-Q1983 PolarHBondContact O-N 3.35Å; A1981-Q1983 VanDerWaalsContact O-N 3.16Å; A1981-L2343 HydrophobicContact CB-CD1 4.2Å; A1981-L2343 HydrophobicContact CB-CD2 3.84Å; A1981-L2343 HydrophobicContact CB-CG 4.1Å |
| 1982 | N | 62.3 | Low | 74.6 | Confident | 152.25 Ų | 152.25 | 48 Ų | 48 | 81% | 0.814 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 17 | -175.6 | -64.2 | -9.9 | 0 | 0 | 0 | 116 | W1979 R1980 | W1979-N1982 WeakPolarHBondContact CZ3-O 3.34Å; R1980-N1982 VanDerWaalsContact C-N 3.31Å; R1980-N1982 PolarHBondContact O-N 3.28Å |
| 1983 | Q | 61.6 | Low | 74.8 | Confident | 74.25 Ų | 74.25 | 53.6 Ų | 53.6 | 35% | 0.347 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 138.4 | 171.5 | -114.6 | 179.9 | 10.5 | 0 | 0 | 110.7 | W1979 R1980 A1981 L1985 E2182 | W1979-Q1983 CarbonylContact C-O 3.52Å; W1979-Q1983 WeakPolarHBondContact CA-O 3.29Å; W1979-Q1983 VanDerWaalsContact CE3-C 3.43Å; R1980-Q1983 PolarHBondContact N-O 2.87Å; R1980-Q1983 WeakPolarHBondContact O-CA 3.25Å; R1980-Q1983 VanDerWaalsContact O-CB 3.29Å; R1980-Q1983 WeakPolarHBondContact O-CB 3.39Å; R1980-Q1983 PolarHBondContact O-N 3.15Å; R1980-Q1983 VanDerWaalsContact O-O 3.1Å; A1981-Q1983 VanDerWaalsContact C-N 3.25Å; A1981-Q1983 PolarHBondContact O-N 3.35Å; A1981-Q1983 VanDerWaalsContact O-N 3.16Å; Q1983-L1985 HydrophobicContact CB-CD2 4.19Å; Q1983-L1985 HydrophobicContact CB-CG 4.46Å; Q1983-L1985 HydrophobicContact CG-CD2 4.27Å; Q1983-E2182 PolarHBondContact NE2-OE1 3.48Å; Q1983-E2182 PolarHBondContact NE2-OE2 3.06Å |
| 1984 | L | 67.6 | Low | 75.4 | Confident | 37.75 Ų | 37.75 | 53.5 Ų | 53.5 | 20% | 0.198 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 122.8 | 174.7 | -173.7 | 66.3 | 0 | 0 | 0 | 109.5 | P1977 W1979 F2184 L2189 L2192 | P1977-L1984 HydrophobicContact CB-CD1 3.77Å; P1977-L1984 HydrophobicContact CB-CD2 4.32Å; P1977-L1984 HydrophobicContact CB-CG 3.98Å; P1977-L1984 HydrophobicContact CG-CD1 4.13Å; P1977-L1984 HydrophobicContact CG-CD2 4.39Å; P1977-L1984 HydrophobicContact CG-CG 4.43Å; W1979-L1984 HydrophobicContact CD2-CB 4.29Å; W1979-L1984 HydrophobicContact CD2-CD1 4.09Å; W1979-L1984 HydrophobicContact CE3-CB 4.23Å; W1979-L1984 HydrophobicContact CG-CD1 4.16Å; W1979-L1984 HydrophobicContact CH2-CB 4.25Å; W1979-L1984 HydrophobicContact CZ2-CB 4.23Å; W1979-L1984 HydrophobicContact CZ2-CD1 4.31Å; W1979-L1984 HydrophobicContact CZ2-CD2 4.44Å; W1979-L1984 HydrophobicContact CZ3-CB 4.21Å; L1984-F2184 HydrophobicContact CB-CE2 4.01Å; L1984-F2184 HydrophobicContact CB-CZ 4.45Å; L1984-F2184 HydrophobicContact CD2-CD2 4.29Å; L1984-F2184 HydrophobicContact CD2-CE1 4.4Å; L1984-F2184 HydrophobicContact CD2-CE2 3.66Å; L1984-F2184 HydrophobicContact CD2-CZ 3.71Å; L1984-F2184 HydrophobicContact CG-CE1 4.15Å; L1984-F2184 HydrophobicContact CG-CE2 3.64Å; L1984-F2184 HydrophobicContact CG-CZ 3.73Å; L1984-F2184 WeakPolarHBondContact O-CE2 2.81Å; L1984-L2189 HydrophobicContact CD2-CD2 4.14Å; L1984-L2192 HydrophobicContact CD2-CD1 4.19Å |
| 1985 | L | 72.3 | Confident | 76 | Confident | 14.25 Ų | 14.25 | 53.3 Ų | 53.3 | 8% | 0.075 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 136.2 | -177.5 | -60 | 179 | 0 | 0 | 0 | 111 | P1977 I1978 R1980 Q1983 K1987 F2180 E2182 P2207 | P1977-L1985 CarbonylContact C-O 3.41Å; P1977-L1985 WeakPolarHBondContact CA-O 3.39Å; P1977-L1985 VanDerWaalsContact CB-O 3.28Å; P1977-L1985 WeakPolarHBondContact CB-O 3.46Å; I1978-L1985 PolarHBondContact N-O 3.07Å; I1978-L1985 PolarHBondContact O-N 2.96Å; R1980-L1985 HydrophobicContact CB-CD1 3.91Å; R1980-L1985 HydrophobicContact CB-CG 4.44Å; R1980-L1985 HydrophobicContact CG-CD1 4.48Å; Q1983-L1985 HydrophobicContact CB-CD2 4.19Å; Q1983-L1985 HydrophobicContact CB-CG 4.46Å; Q1983-L1985 HydrophobicContact CG-CD2 4.27Å; L1985-K1987 PolarHBondContact O-N 3.42Å; L1985-F2180 HydrophobicContact CD1-CB 4.48Å; L1985-E2182 HydrophobicContact CD2-CB 4.39Å; L1985-E2182 HydrophobicContact CD2-CG 3.6Å; L1985-P2207 HydrophobicContact CD1-CG 4.49Å |
| 1986 | G | 75.8 | Confident | 76.5 | Confident | 8.5 Ų | 8.5 | 53.5 Ų | 53.5 | 9% | 0.088 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 123.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | F2180 T2181 F2184 | G1986-F2180 CarbonylContact O-C 3.54Å; G1986-F2180 WeakPolarHBondContact O-CA 3.42Å; G1986-T2181 WeakPolarHBondContact CA-O 3.47Å; G1986-T2181 PolarHBondContact N-O 3.25Å; G1986-T2181 PolarHBondContact O-N 3.05Å; G1986-T2181 PolarHBondContact O-OG1 3.02Å; G1986-F2184 VanDerWaalsContact N-CZ 3.33Å |
| 1987 | K | 81 | Confident | 77.3 | Confident | 5.5 Ų | 5.5 | 50.1 Ų | 50.1 | 2% | 0.024 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 131 | 176.6 | 175 | -175.5 | 167.7 | -166.7 | 0 | 110.7 | L1911 E1914 D1916 H1975 I1978 L1985 F2180 | L1911-K1987 WeakPolarHBondContact O-CE 3.39Å; L1911-K1987 PolarHBondContact O-NZ 3.16Å; L1911-K1987 VanDerWaalsContact O-NZ 3.11Å; E1914-K1987 IonicContact OE2-NZ 2.83Å; E1914-K1987 PolarHBondContact OE2-NZ 3.24Å; D1916-K1987 IonicContact OD1-NZ 3.05Å; D1916-K1987 PolarHBondContact OD1-NZ 3.41Å; D1916-K1987 WeakPolarHBondContact OD2-CD 3.37Å; D1916-K1987 IonicContact OD2-NZ 3.23Å; D1916-K1987 PolarHBondContact OD2-NZ 3.24Å; H1975-K1987 HydrophobicContact CB-CB 3.9Å; H1975-K1987 HydrophobicContact CB-CD 3.75Å; H1975-K1987 HydrophobicContact CB-CG 3.77Å; H1975-K1987 PolarHBondContact N-O 3.26Å; H1975-K1987 VanDerWaalsContact N-O 3.11Å; H1975-K1987 VanDerWaalsContact ND1-CE 3.33Å; H1975-K1987 WeakPolarHBondContact ND1-CE 3.37Å; H1975-K1987 PolarHBondContact ND1-NZ 3.29Å; I1978-K1987 HydrophobicContact CD1-CB 4.39Å; I1978-K1987 HydrophobicContact CD1-CD 3.69Å; I1978-K1987 HydrophobicContact CG1-CB 4.45Å; I1978-K1987 HydrophobicContact CG1-CD 4.42Å; L1985-K1987 PolarHBondContact O-N 3.42Å; K1987-F2180 HydrophobicContact CB-CD1 3.93Å; K1987-F2180 HydrophobicContact CB-CE1 3.71Å; K1987-F2180 HydrophobicContact CB-CZ 4.5Å; K1987-F2180 HydrophobicContact CD-CE1 3.91Å; K1987-F2180 HydrophobicContact CD-CZ 4.26Å; K1987-F2180 HydrophobicContact CG-CD1 4.28Å; K1987-F2180 HydrophobicContact CG-CE1 3.67Å; K1987-F2180 HydrophobicContact CG-CZ 4.16Å |
| 1988 | S | 82.5 | Confident | 78.1 | Confident | 23 Ų | 23 | 49.3 Ų | 49.3 | 16% | 0.161 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 138.1 | 173.2 | 60.3 | 0 | 0 | 0 | 0 | 110.1 | K1973 C2179 | K1973-S1988 CarbonylContact O-C 3.57Å; K1973-S1988 VanDerWaalsContact O-CA 3.24Å; K1973-S1988 WeakPolarHBondContact O-CA 3.37Å; S1988-C2179 PolarHBondContact N-O 3.4Å; S1988-C2179 PolarHBondContact O-N 2.99Å; S1988-C2179 PolarHBondContact OG-O 3.37Å |
| 1989 | T | 84.9 | Confident | 79 | Confident | 0.5 Ų | 0.5 | 49.7 Ų | 49.7 | 0% | 0.003 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 139.3 | 177.1 | 64.4 | 0 | 0 | 0 | 0 | 111.5 | C1912 N1972 K1973 H1975 V2177 C2178 | C1912-T1989 HydrophobicContact CB-CG2 4.12Å; C1912-T1989 VanDerWaalsContact SG-CG2 3.55Å; N1972-T1989 CarbonylContact C-O 3.54Å; N1972-T1989 VanDerWaalsContact CA-O 3.27Å; N1972-T1989 WeakPolarHBondContact CA-O 3.41Å; N1972-T1989 PolarHBondContact OD1-O 2.9Å; K1973-T1989 WeakPolarHBondContact CB-OG1 3.41Å; K1973-T1989 PolarHBondContact N-O 3.15Å; K1973-T1989 PolarHBondContact O-N 2.99Å; H1975-T1989 WeakPolarHBondContact NE2-CG2 3.38Å; H1975-T1989 PolarHBondContact NE2-OG1 3.17Å; T1989-V2177 CarbonylContact C-O 3.51Å; T1989-V2177 VanDerWaalsContact CA-O 3.28Å; T1989-V2177 WeakPolarHBondContact CA-O 3.07Å; T1989-C2178 HydrophobicContact CG2-CB 4.06Å |
| 1990 | W | 86.2 | Confident | 80.1 | Confident | 99 Ų | 99 | 43 Ų | 43 | 38% | 0.375 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 115.8 | 171.5 | -63 | 80.1 | 0 | 0 | 0 | 108.6 | I1970 V1971 N1972 M2176 V2177 | I1970-W1990 HydrophobicContact CG2-CE3 3.84Å; I1970-W1990 HydrophobicContact CG2-CZ3 4.17Å; V1971-W1990 CarbonylContact O-C 3.48Å; V1971-W1990 WeakPolarHBondContact O-CA 3.29Å; N1972-W1990 HydrophobicContact CB-CD2 3.98Å; N1972-W1990 HydrophobicContact CB-CE3 3.78Å; N1972-W1990 HydrophobicContact CB-CH2 4.02Å; N1972-W1990 HydrophobicContact CB-CZ2 4.21Å; N1972-W1990 HydrophobicContact CB-CZ3 3.8Å; N1972-W1990 WeakPolarHBondContact ND2-CH2 3.38Å; N1972-W1990 WeakPolarHBondContact ND2-CZ2 3.23Å; W1990-M2176 CarbonylContact O-C 3.52Å; W1990-M2176 VanDerWaalsContact O-CA 3.31Å; W1990-M2176 WeakPolarHBondContact O-CA 3.4Å; W1990-V2177 HydrophobicContact CB-CB 4.26Å; W1990-V2177 PolarHBondContact N-O 3.43Å; W1990-V2177 PolarHBondContact O-N 3.28Å |
| 1991 | V | 86.5 | Confident | 81.3 | Confident | 27 Ų | 27 | 39.6 Ų | 39.6 | 16% | 0.164 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 119.2 | 175.7 | -177.1 | 0 | 0 | 0 | 0 | 107.9 | C1912 I1970 V1971 L2175 M2176 | C1912-V1991 HydrophobicContact CB-CG2 3.95Å; I1970-V1991 CarbonylContact C-O 3.52Å; I1970-V1991 WeakPolarHBondContact CA-O 3.37Å; V1971-V1991 PolarHBondContact N-O 3.16Å; V1971-V1991 PolarHBondContact O-N 3.01Å; V1991-L2175 CarbonylContact C-O 3.59Å; V1991-M2176 HydrophobicContact CB-CG 4.44Å; V1991-M2176 HydrophobicContact CG1-CG 4.1Å; V1991-M2176 HydrophobicContact CG2-CG 4.24Å |
| 1992 | T | 88.3 | Confident | 82.4 | Confident | 13.5 Ų | 13.5 | 36.7 Ų | 36.7 | 8% | 0.083 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 128 | -179 | 12.1 | 0 | 0 | 0 | 0 | 109.5 | R1969 I1970 F1994 E2174 L2175 | R1969-T1992 CarbonylContact O-C 3.56Å; R1969-T1992 VanDerWaalsContact O-CA 3.25Å; R1969-T1992 WeakPolarHBondContact O-CA 3.22Å; I1970-T1992 HydrophobicContact CB-CG2 4.16Å; I1970-T1992 HydrophobicContact CD1-CG2 4.42Å; I1970-T1992 HydrophobicContact CG1-CG2 3.75Å; I1970-T1992 HydrophobicContact CG2-CG2 3.94Å; T1992-F1994 HydrophobicContact CG2-CD2 4.03Å; T1992-F1994 HydrophobicContact CG2-CE1 4.34Å; T1992-F1994 HydrophobicContact CG2-CE2 3.38Å; T1992-F1994 HydrophobicContact CG2-CZ 3.67Å; T1992-E2174 CarbonylContact O-C 3.55Å; T1992-E2174 VanDerWaalsContact O-CA 3.31Å; T1992-E2174 WeakPolarHBondContact O-CA 3.34Å; T1992-L2175 WeakPolarHBondContact CB-O 3.39Å; T1992-L2175 PolarHBondContact N-O 3.18Å; T1992-L2175 PolarHBondContact O-N 3.17Å; T1992-L2175 WeakPolarHBondContact OG1-CB 3.39Å; T1992-L2175 PolarHBondContact OG1-O 3.18Å |
| 1993 | R | 89.1 | Confident | 83 | Confident | 134.75 Ų | 134.75 | 30.5 Ų | 30.5 | 51% | 0.508 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 117.9 | 176.4 | -123 | -179.7 | 176.5 | 131 | -0.8 | 109.8 | G1968 R1969 T1995 C2173 E2174 | G1968-R1993 CarbonylContact C-O 3.55Å; G1968-R1993 VanDerWaalsContact CA-O 3.29Å; G1968-R1993 WeakPolarHBondContact CA-O 3.37Å; R1969-R1993 PolarHBondContact N-O 3.2Å; R1969-R1993 PolarHBondContact O-N 3.17Å; R1993-T1995 HydrophobicContact CG-CG2 4.38Å; R1993-C2173 WeakPolarHBondContact CA-O 3.39Å; R1993-E2174 HydrophobicContact CB-CG 4.41Å; R1993-E2174 WeakPolarHBondContact CD-OE1 3.39Å; R1993-E2174 HydrophobicContact CG-CG 4.15Å; R1993-E2174 IonicContact CZ-OE1 3.13Å; R1993-E2174 IonicContact NE-OE1 3.29Å; R1993-E2174 PolarHBondContact NE-OE1 2.94Å; R1993-E2174 IonicContact NH1-OE1 2.81Å; R1993-E2174 PolarHBondContact NH1-OE1 3.16Å; R1993-E2174 IonicContact NH2-OE1 3Å |
| 1994 | F | 90.2 | Very high | 83.2 | Confident | 31.25 Ų | 31.25 | 30.6 Ų | 30.6 | 14% | 0.137 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 136.2 | 172.5 | -61.9 | -77 | 0 | 0 | 0 | 110.2 | L1945 M1948 A1965 H1967 G1968 T1992 M1997 S2172 C2173 | L1945-F1994 HydrophobicContact CD1-CE1 4.25Å; M1948-F1994 HydrophobicContact CE-CD1 3.44Å; M1948-F1994 VanDerWaalsContact CE-CD1 3.44Å; M1948-F1994 HydrophobicContact CE-CE1 3.4Å; M1948-F1994 HydrophobicContact CE-CG 4.18Å; M1948-F1994 HydrophobicContact CE-CZ 4.1Å; M1948-F1994 HydrophobicContact SD-CD1 4.02Å; M1948-F1994 HydrophobicContact SD-CE1 3.92Å; M1948-F1994 VanDerWaalsContact SD-CE1 3.59Å; M1948-F1994 HydrophobicContact SD-CZ 4.48Å; A1965-F1994 HydrophobicContact CB-CB 4.46Å; A1965-F1994 HydrophobicContact CB-CD1 4.11Å; H1967-F1994 CarbonylContact O-C 3.36Å; H1967-F1994 WeakPolarHBondContact O-CA 3.32Å; G1968-F1994 VanDerWaalsContact CA-CD1 3.49Å; T1992-F1994 HydrophobicContact CG2-CD2 4.03Å; T1992-F1994 HydrophobicContact CG2-CE1 4.34Å; T1992-F1994 HydrophobicContact CG2-CE2 3.38Å; T1992-F1994 HydrophobicContact CG2-CZ 3.67Å; F1994-M1997 HydrophobicContact CB-CB 4.41Å; F1994-M1997 HydrophobicContact CB-CG 4.48Å; F1994-M1997 HydrophobicContact CB-SD 4Å; F1994-M1997 HydrophobicContact CD2-SD 4.23Å; F1994-M1997 HydrophobicContact CG-SD 4.05Å; F1994-S2172 VanDerWaalsContact O-CA 3.3Å; F1994-S2172 WeakPolarHBondContact O-CA 3.38Å; F1994-C2173 HydrophobicContact CB-CB 4.28Å; F1994-C2173 HydrophobicContact CD2-CB 4.44Å; F1994-C2173 PolarHBondContact N-O 2.99Å; F1994-C2173 PolarHBondContact O-N 3.13Å |
| 1995 | T | 88.8 | Confident | 82.5 | Confident | 57 Ų | 57 | 31.2 Ų | 31.2 | 35% | 0.35 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 140.6 | 179.5 | 52.7 | 0 | 0 | 0 | 0 | 109.6 | A1966 H1967 R1993 M1997 | A1966-T1995 PolarHBondContact N-O 2.87Å; H1967-T1995 WeakPolarHBondContact CB-OG1 3.42Å; H1967-T1995 PolarHBondContact N-O 3.06Å; H1967-T1995 VanDerWaalsContact N-O 3.13Å; H1967-T1995 PolarHBondContact O-N 3.18Å; H1967-T1995 PolarHBondContact O-OG1 3.14Å; H1967-T1995 VanDerWaalsContact O-OG1 3.13Å; R1993-T1995 HydrophobicContact CG-CG2 4.38Å; T1995-M1997 VanDerWaalsContact C-N 3.33Å; T1995-M1997 PolarHBondContact O-N 2.97Å |
| 1996 | G | 86.3 | Confident | 81.4 | Confident | 9 Ų | 9 | 33.1 Ų | 33.1 | 9% | 0.093 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 65 | 38.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1966 C2171 | A1966-G1996 PolarHBondContact N-O 3.15Å; A1966-G1996 VanDerWaalsContact N-O 3.1Å; G1996-C2171 PolarHBondContact N-O 3.18Å |
| 1997 | M | 88.6 | Confident | 79.8 | Confident | 19.5 Ų | 19.5 | 39.1 Ų | 39.1 | 10% | 0.096 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 132.2 | 179.5 | -164.2 | 173.7 | 136.1 | 0 | 0 | 110.3 | C1963 T1964 A1965 F1994 T1995 Y1999 S2169 R2170 C2171 C2173 | C1963-M1997 WeakPolarHBondContact SG-CE 3.33Å; T1964-M1997 CarbonylContact O-C 3.58Å; T1964-M1997 VanDerWaalsContact O-CA 3.24Å; T1964-M1997 WeakPolarHBondContact O-CA 3.41Å; T1964-M1997 VanDerWaalsContact O-CG 3.29Å; T1964-M1997 WeakPolarHBondContact O-CG 3.27Å; A1965-M1997 HydrophobicContact CB-CB 4.36Å; A1965-M1997 HydrophobicContact CB-CG 4.23Å; F1994-M1997 HydrophobicContact CB-CB 4.41Å; F1994-M1997 HydrophobicContact CB-CG 4.48Å; F1994-M1997 HydrophobicContact CB-SD 4Å; F1994-M1997 HydrophobicContact CD2-SD 4.23Å; F1994-M1997 HydrophobicContact CG-SD 4.05Å; T1995-M1997 VanDerWaalsContact C-N 3.33Å; T1995-M1997 PolarHBondContact O-N 2.97Å; M1997-Y1999 HydrophobicContact CE-CE1 3.99Å; M1997-Y1999 HydrophobicContact CE-CE2 3.84Å; M1997-Y1999 VanDerWaalsContact CE-CZ 3.42Å; M1997-Y1999 WeakPolarHBondContact CE-OH 3.32Å; M1997-Y1999 HydrophobicContact CG-CE2 4.1Å; M1997-Y1999 HydrophobicContact SD-CE2 3.95Å; M1997-Y1999 PolarHBondContact SD-OH 3.25Å; M1997-S2169 VanDerWaalsContact O-O 3.06Å; M1997-R2170 CarbonylContact O-C 3.46Å; M1997-R2170 WeakPolarHBondContact O-CA 3.3Å; M1997-C2171 WeakPolarHBondContact CB-O 3.29Å; M1997-C2171 PolarHBondContact N-O 3.2Å; M1997-C2171 PolarHBondContact O-N 2.9Å; M1997-C2171 PolarHBondContact O-SG 3.13Å; M1997-C2171 VanDerWaalsContact O-SG 3.36Å; M1997-C2173 HydrophobicContact CE-CB 3.35Å; M1997-C2173 HydrophobicContact SD-CB 4Å |
| 1998 | Q | 88.7 | Confident | 77.6 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 155.8 | -178.7 | -48.8 | 170.4 | 4.2 | 0 | 0 | 109.9 | T1964 F2000 L2126 R2166 R2170 | T1964-Q1998 PolarHBondContact N-O 2.94Å; T1964-Q1998 PolarHBondContact O-N 3.06Å; T1964-Q1998 WeakPolarHBondContact OG1-CB 3.36Å; T1964-Q1998 PolarHBondContact OG1-O 3.32Å; T1964-Q1998 PolarHBondContact OG1-OE1 3.1Å; T1964-Q1998 VanDerWaalsContact OG1-OE1 3.07Å; Q1998-F2000 HydrophobicContact CB-CE2 3.74Å; Q1998-F2000 HydrophobicContact CB-CZ 4.16Å; Q1998-F2000 HydrophobicContact CG-CE2 4.5Å; Q1998-F2000 VanDerWaalsContact OE1-CE2 3.29Å; Q1998-F2000 VanDerWaalsContact OE1-CZ 3.24Å; Q1998-L2126 PolarHBondContact NE2-O 3.11Å; Q1998-L2126 VanDerWaalsContact NE2-O 3.08Å; Q1998-R2166 VanDerWaalsContact NE2-NH1 3.13Å; Q1998-R2170 HydrophobicContact CG-CB 4.4Å; Q1998-R2170 HydrophobicContact CG-CG 3.65Å; Q1998-R2170 VanDerWaalsContact NE2-NE 3.16Å |
| 1999 | Y | 90 | Very high | 75 | Confident | 57.25 Ų | 57.25 | 53.2 Ų | 53.2 | 23% | 0.225 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 132.3 | 176.1 | -62.7 | -106.9 | 0 | 0 | 0 | 110.2 | I1961 L1962 C1963 M1997 R2166 V2167 I2168 | I1961-Y1999 HydrophobicContact CG2-CD1 4.31Å; L1962-Y1999 WeakPolarHBondContact O-CA 3.39Å; C1963-Y1999 HydrophobicContact CB-CD1 4.14Å; C1963-Y1999 HydrophobicContact CB-CE1 4.18Å; C1963-Y1999 WeakPolarHBondContact SG-CD1 3.23Å; C1963-Y1999 VanDerWaalsContact SG-CE1 3.54Å; C1963-Y1999 WeakPolarHBondContact SG-CE1 3.39Å; M1997-Y1999 HydrophobicContact CE-CE1 3.99Å; M1997-Y1999 HydrophobicContact CE-CE2 3.84Å; M1997-Y1999 VanDerWaalsContact CE-CZ 3.42Å; M1997-Y1999 WeakPolarHBondContact CE-OH 3.32Å; M1997-Y1999 HydrophobicContact CG-CE2 4.1Å; M1997-Y1999 HydrophobicContact SD-CE2 3.95Å; M1997-Y1999 PolarHBondContact SD-OH 3.25Å; Y1999-R2166 CarbonylContact O-C 3.55Å; Y1999-V2167 PolarHBondContact O-N 3.45Å; Y1999-I2168 HydrophobicContact CD1-CD1 4.43Å; Y1999-I2168 HydrophobicContact CD2-CB 3.67Å; Y1999-I2168 HydrophobicContact CD2-CD1 3.64Å; Y1999-I2168 HydrophobicContact CD2-CG1 4.04Å; Y1999-I2168 HydrophobicContact CD2-CG2 4Å; Y1999-I2168 HydrophobicContact CE2-CD1 4.02Å; Y1999-I2168 HydrophobicContact CE2-CG2 4.4Å; Y1999-I2168 HydrophobicContact CG-CB 4.18Å; Y1999-I2168 HydrophobicContact CG-CD1 3.88Å; Y1999-I2168 HydrophobicContact CG-CG1 4.22Å; Y1999-I2168 PolarHBondContact N-O 3.38Å; Y1999-I2168 PolarHBondContact O-N 3.02Å; Y1999-I2168 VanDerWaalsContact O-N 3.15Å |
| 2000 | F | 88.4 | Confident | 72.4 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 144.9 | 176.1 | -55.8 | -94 | 0 | 0 | 0 | 110.1 | I1961 L1962 T1964 Q1998 L2122 I2154 L2164 Q2165 R2166 | I1961-F2000 CarbonylContact C-O 3.53Å; I1961-F2000 VanDerWaalsContact CA-O 3.3Å; I1961-F2000 WeakPolarHBondContact CA-O 3.36Å; I1961-F2000 WeakPolarHBondContact CG2-O 3.48Å; L1962-F2000 HydrophobicContact CB-CB 4.31Å; L1962-F2000 PolarHBondContact N-O 2.83Å; L1962-F2000 PolarHBondContact O-N 3.07Å; T1964-F2000 HydrophobicContact CG2-CD2 4.34Å; T1964-F2000 HydrophobicContact CG2-CE2 4.23Å; Q1998-F2000 HydrophobicContact CB-CE2 3.74Å; Q1998-F2000 HydrophobicContact CB-CZ 4.16Å; Q1998-F2000 HydrophobicContact CG-CE2 4.5Å; Q1998-F2000 VanDerWaalsContact OE1-CE2 3.29Å; Q1998-F2000 VanDerWaalsContact OE1-CZ 3.24Å; F2000-L2122 HydrophobicContact CD1-CD1 4.41Å; F2000-L2122 HydrophobicContact CD2-CD1 3.6Å; F2000-L2122 VanDerWaalsContact CD2-CD1 3.46Å; F2000-L2122 HydrophobicContact CE1-CD1 4.23Å; F2000-L2122 HydrophobicContact CE2-CD1 3.33Å; F2000-L2122 VanDerWaalsContact CE2-CD1 3.44Å; F2000-L2122 HydrophobicContact CG-CD1 4.16Å; F2000-L2122 HydrophobicContact CZ-CD1 3.68Å; F2000-I2154 HydrophobicContact CD1-CD1 3.62Å; F2000-I2154 VanDerWaalsContact CD1-CD1 3.49Å; F2000-I2154 HydrophobicContact CD1-CG1 4.4Å; F2000-I2154 HydrophobicContact CE1-CD1 3.5Å; F2000-I2154 VanDerWaalsContact CE1-CD1 3.44Å; F2000-I2154 HydrophobicContact CE1-CG1 4.27Å; F2000-I2154 HydrophobicContact CG-CD1 4.4Å; F2000-I2154 HydrophobicContact CZ-CD1 4.32Å; F2000-L2164 HydrophobicContact CB-CB 4.46Å; F2000-L2164 HydrophobicContact CB-CD2 4.48Å; F2000-Q2165 CarbonylContact C-O 3.54Å; F2000-Q2165 VanDerWaalsContact CA-O 3.26Å; F2000-Q2165 WeakPolarHBondContact CA-O 3.35Å; F2000-R2166 HydrophobicContact CD1-CB 3.84Å; F2000-R2166 HydrophobicContact CD1-CG 4.23Å; F2000-R2166 HydrophobicContact CE1-CB 3.66Å; F2000-R2166 HydrophobicContact CE1-CG 3.81Å; F2000-R2166 HydrophobicContact CZ-CG 4.27Å |
| 2001 | A | 87 | Confident | 69.7 | Low | 1.33333 Ų | 1.33333 | 62 Ų | 62 | 1% | 0.011 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 150.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | I1961 Q2165 V2167 Q2226 M2229 | I1961-A2001 HydrophobicContact CG1-CB 4.43Å; A2001-Q2165 PolarHBondContact N-O 2.93Å; A2001-Q2165 PolarHBondContact O-N 3.17Å; A2001-V2167 HydrophobicContact CB-CG2 3.53Å; A2001-Q2226 HydrophobicContact CB-CG 3.98Å; A2001-M2229 HydrophobicContact CB-CE 4.2Å |
| 2002 | T | 84.7 | Confident | 66.8 | Low | 4.33333 Ų | 4.33333 | 67.1 Ų | 67.1 | 3% | 0.027 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 137.1 | 175.4 | 49.9 | 0 | 0 | 0 | 0 | 111.6 | G1959 Y1960 L2164 M2229 | G1959-T2002 WeakPolarHBondContact CA-OG1 3.37Å; Y1960-T2002 HydrophobicContact CD1-CG2 3.73Å; Y1960-T2002 HydrophobicContact CD2-CG2 4.46Å; Y1960-T2002 HydrophobicContact CE1-CG2 3.5Å; Y1960-T2002 VanDerWaalsContact CE1-CG2 3.47Å; Y1960-T2002 HydrophobicContact CE2-CG2 4.29Å; Y1960-T2002 HydrophobicContact CG-CG2 4.22Å; Y1960-T2002 PolarHBondContact N-OG1 3.34Å; Y1960-T2002 PolarHBondContact O-N 2.99Å; T2002-L2164 HydrophobicContact CG2-CD2 3.81Å; T2002-M2229 VanDerWaalsContact O-CE 3.3Å; T2002-M2229 WeakPolarHBondContact O-CE 3.47Å |
| 2003 | V | 74.5 | Confident | 63.9 | Low | 22.3333 Ų | 22.3333 | 71.4 Ų | 71.4 | 14% | 0.135 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -96.5 | 136.9 | 173.1 | -174.2 | 0 | 0 | 0 | 0 | 109.6 | P2005 S2163 Q2165 | V2003-P2005 VanDerWaalsContact C-CD 3.49Å; V2003-S2163 PolarHBondContact N-O 2.89Å; V2003-Q2165 HydrophobicContact CG2-CB 3.53Å; V2003-Q2165 HydrophobicContact CG2-CG 4.43Å |
| 2004 | N | 65.3 | Low | 60.9 | Low | 77 Ų | 77 | 70.3 Ų | 70.3 | 41% | 0.412 | 40% | 0.401 | S | S | . | . | trans | 43.9 | 58.2 | 176.4 | -63.2 | -14.4 | 0 | 0 | 0 | 116.1 | G2006 | N2004-G2006 PolarHBondContact O-N 3.11Š| ||
| 2005 | P | 53.9 | Low | 57.9 | Low | 51 Ų | 51 | 74.8 Ų | 74.8 | 33% | 0.331 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | 9.2 | -174.6 | 28 | -34.6 | 0 | 0 | 0 | 115.5 | T1958 V2003 | T1958-P2005 VanDerWaalsContact C-CG 3.4Å; T1958-P2005 WeakPolarHBondContact O-CB 3.05Å; T1958-P2005 WeakPolarHBondContact O-CG 3.4Å; T1958-P2005 WeakPolarHBondContact OG1-CG 3.5Å; V2003-P2005 VanDerWaalsContact C-CD 3.49Å |
| 2006 | G | 47.9 | Very low | 54.8 | Low | 53.6667 Ų | 53.6667 | 77.4 Ų | 77.4 | 55% | 0.553 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.2 | -10.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | N2004 K2008 | N2004-G2006 PolarHBondContact O-N 3.11Å; G2006-K2008 VanDerWaalsContact C-N 3.26Å; G2006-K2008 PolarHBondContact O-N 3.03Å |
| 2007 | D | 42.6 | Very low | 51.9 | Low | 133.667 Ų | 133.667 | 82.3 Ų | 82.3 | 72% | 0.715 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 43.5 | -161.7 | -115 | -0.2 | 0 | 0 | 0 | 115 | ||
| 2008 | K | 34.8 | Very low | 48.9 | Very low | 153 Ų | 153 | 89.8 Ų | 89.8 | 67% | 0.665 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -147.7 | 15.8 | 165.2 | -82.1 | -177.3 | -174.7 | 179.7 | 0 | 115 | G2006 S2010 K2011 D2161 | G2006-K2008 VanDerWaalsContact C-N 3.26Å; G2006-K2008 PolarHBondContact O-N 3.03Å; K2008-S2010 VanDerWaalsContact C-N 3.26Å; K2008-S2010 PolarHBondContact O-N 3.13Å; K2008-S2010 VanDerWaalsContact O-N 3.07Å; K2008-K2011 PolarHBondContact O-N 2.76Å; K2008-D2161 IonicContact NZ-OD1 3.47Å; K2008-D2161 PolarHBondContact NZ-OD1 3.29Å; K2008-D2161 IonicContact NZ-OD2 3.29Å; K2008-D2161 PolarHBondContact NZ-OD2 2.92Å |
| 2009 | M | 28.9 | Very low | 45.8 | Very low | 171.667 Ų | 171.667 | 94.5 Ų | 94.5 | 85% | 0.846 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 6.3 | 172.5 | -154 | 93.7 | -173.9 | 0 | 0 | 114.2 | ||
| 2010 | S | 30.3 | Very low | 42.7 | Very low | 97 Ų | 97 | 100.9 Ų | 100.9 | 68% | 0.678 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.7 | 31.2 | 173.9 | 71.1 | 0 | 0 | 0 | 0 | 114.6 | K2008 | K2008-S2010 VanDerWaalsContact C-N 3.26Å; K2008-S2010 PolarHBondContact O-N 3.13Å; K2008-S2010 VanDerWaalsContact O-N 3.07Å |
| 2011 | K | 29.7 | Very low | 39.6 | Very low | 187 Ų | 187 | 111.8 Ų | 111.8 | 81% | 0.813 | 62% | 0.618 | S | S | * | * | trans | -126.2 | 43.6 | 177.8 | -68.5 | -177.5 | -178.4 | 172.6 | 0 | 116.4 | K2008 | K2008-K2011 PolarHBondContact O-N 2.76Š| ||
| 2012 | T | 25.7 | Very low | 36.5 | Very low | 134.667 Ų | 134.667 | 115.8 Ų | 115.8 | 83% | 0.826 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -126.2 | 57.5 | 159.4 | 53.5 | 0 | 0 | 0 | 0 | 111.2 | ||
| 2013 | S | 26 | Very low | 33.7 | Very low | 104.667 Ų | 104.667 | 123 Ų | 123 | 73% | 0.732 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -166.3 | 83.5 | 163.3 | 51.4 | 0 | 0 | 0 | 0 | 111.4 | ||
| 2014 | S | 27 | Very low | 31.2 | Very low | 111.667 Ų | 111.667 | 126.5 Ų | 126.5 | 78% | 0.781 | 72% | 0.715 | S | S | * | * | trans | 137.7 | 109.4 | 162.7 | 65.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 2015 | T | 27.2 | Very low | 29.3 | Very low | 124.333 Ų | 124.333 | 130.2 Ų | 130.2 | 76% | 0.763 | 74% | 0.735 | S | S | * | * | 51.1 | 114.5 | 109.1 | -36.2 | 0 | 0 | 0 | 0 | 114.8 | T2017 | T2015-T2017 WeakPolarHBondContact CG2-OG1 3.49Š| |||
| 2016 | S | 24.1 | Very low | 27.9 | Very low | 112.333 Ų | 112.333 | 134 Ų | 134 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | trans | -70 | 105.6 | 155.1 | 55.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 2017 | T | 25.1 | Very low | 26.7 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | trans | -163.6 | 120.1 | 158.8 | 2.5 | 0 | 0 | 0 | 0 | 112.8 | T2015 | T2015-T2017 WeakPolarHBondContact CG2-OG1 3.49Š| ||
| 2018 | E | 25.9 | Very low | 25.8 | Very low | 176.667 Ų | 176.667 | 138.1 Ų | 138.1 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | trans | 104.5 | 115 | 133.2 | -70.9 | 178.9 | 177.3 | 0 | 0 | 117.4 | ||||
| 2019 | S | 22.6 | Very low | 25.4 | Very low | 98.3333 Ų | 98.3333 | 140.4 Ų | 140.4 | 69% | 0.688 | 78% | 0.779 | S | S | * | * | trans | 23.4 | 113.9 | 142.4 | 61.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 2020 | F | 25.1 | Very low | 25.1 | Very low | 192.333 Ų | 192.333 | 141.2 Ų | 141.2 | 84% | 0.844 | 78% | 0.778 | S | S | * | * | -156.8 | 138.6 | 124.4 | -104.4 | -87.2 | 0 | 0 | 0 | 112.3 | |||||
| 2021 | R | 23.4 | Very low | 24.8 | Very low | 228 Ų | 228 | 146.1 Ų | 146.1 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | -39.3 | 134.5 | 175.7 | -77.7 | 172.8 | 171.4 | 151.5 | -3 | 117.1 | ||||
| 2022 | A | 22.7 | Very low | 24.7 | Very low | 86.6667 Ų | 86.6667 | 144.6 Ų | 144.6 | 72% | 0.716 | 79% | 0.787 | S | S | * | * | trans | 47.9 | 114.2 | 131.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 2023 | N | 24.8 | Very low | 24.6 | Very low | 154.667 Ų | 154.667 | 144.9 Ų | 144.9 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | 166.1 | 135 | 123.6 | -84.4 | -3.9 | 0 | 0 | 0 | 115.5 | |||||
| 2024 | S | 23.3 | Very low | 24.5 | Very low | 95.6667 Ų | 95.6667 | 147.5 Ų | 147.5 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | trans | 15.9 | 130.8 | 153 | 53.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 2025 | D | 24.8 | Very low | 24.4 | Very low | 155.667 Ų | 155.667 | 146.4 Ų | 146.4 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | 178.5 | 143.9 | 86.1 | -89.6 | -21.5 | 0 | 0 | 0 | 112.1 | |||||
| 2026 | V | 23.5 | Very low | 24.3 | Very low | 130.667 Ų | 130.667 | 147.8 Ų | 147.8 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | trans | -52.4 | 135.7 | 168.3 | 173.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 2027 | S | 23.8 | Very low | 24.4 | Very low | 104 Ų | 104 | 149.6 Ų | 149.6 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | 168.8 | 128 | 139.1 | 26.9 | 0 | 0 | 0 | 0 | 112.3 | F2029 | S2027-F2029 PolarHBondContact O-N 3.05Š| ||
| 2028 | E | 22.7 | Very low | 24.6 | Very low | 168.333 Ų | 168.333 | 151.2 Ų | 151.2 | 79% | 0.787 | 79% | 0.792 | S | S | * | * | -77.6 | 119.6 | 126.6 | -156.2 | 173.5 | -156.4 | 0 | 0 | 114.2 | K2030 | E2028-K2030 PolarHBondContact O-N 2.88Š| |||
| 2029 | F | 26.3 | Very low | 24.6 | Very low | 201.667 Ų | 201.667 | 147.4 Ų | 147.4 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | trans | -106.9 | 130.8 | 156.6 | -95.1 | -88.6 | 0 | 0 | 0 | 111.1 | S2027 | S2027-F2029 PolarHBondContact O-N 3.05Š| ||
| 2030 | K | 23.8 | Very low | 24.7 | Very low | 188.333 Ų | 188.333 | 150 Ų | 150 | 82% | 0.819 | 79% | 0.791 | S | S | * | * | trans | -101.6 | 134.5 | 176.6 | -105.1 | 178.9 | 178.3 | 175.9 | 0 | 111.5 | E2028 | E2028-K2030 PolarHBondContact O-N 2.88Š| ||
| 2031 | F | 23.9 | Very low | 24.8 | Very low | 200.333 Ų | 200.333 | 145.2 Ų | 145.2 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | trans | -48 | 145.9 | 169.2 | -113.9 | -91.6 | 0 | 0 | 0 | 113.3 | ||||
| 2032 | L | 26.4 | Very low | 24.9 | Very low | 154.667 Ų | 154.667 | 143.1 Ų | 143.1 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -112.1 | 139.7 | -170.5 | -161.9 | 78.6 | 0 | 0 | 0 | 110 | ||||
| 2033 | D | 23.4 | Very low | 25 | Very low | 142.667 Ų | 142.667 | 144.3 Ų | 144.3 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | trans | -86.5 | 138.9 | 158.5 | -85 | -41.6 | 0 | 0 | 0 | 114.8 | ||||
| 2034 | I | 25.4 | Very low | 25.4 | Very low | 159 Ų | 159 | 143.1 Ų | 143.1 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | trans | -113.4 | 110.1 | 154.1 | -65.8 | 171.6 | 0 | 0 | 0 | 111.7 | ||||
| 2035 | A | 24.1 | Very low | 25.5 | Very low | 88 Ų | 88 | 142 Ų | 142 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -103.7 | 138.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 2036 | L | 25.7 | Very low | 25.5 | Very low | 153 Ų | 153 | 145.7 Ų | 145.7 | 80% | 0.801 | 80% | 0.797 | S | S | * | * | trans | 148 | 117 | 157 | -86.6 | 160.8 | 0 | 0 | 0 | 113.9 | ||||
| 2037 | L | 26.6 | Very low | 25.5 | Very low | 150.667 Ų | 150.667 | 146.3 Ų | 146.3 | 79% | 0.789 | 80% | 0.795 | S | S | * | * | trans | -163.8 | 123 | 152.8 | -82.2 | 163.4 | 0 | 0 | 0 | 111.4 | ||||
| 2038 | N | 28.7 | Very low | 25.6 | Very low | 145.667 Ų | 145.667 | 146.2 Ų | 146.2 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | -165.9 | 143 | 146.2 | -64.2 | -35.5 | 0 | 0 | 0 | 113.8 | ||||
| 2039 | S | 25.3 | Very low | 25.7 | Very low | 96.3333 Ų | 96.3333 | 145.4 Ų | 145.4 | 67% | 0.674 | 79% | 0.791 | S | S | * | * | -77.2 | 138.9 | 80.9 | 63.1 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 2040 | D | 24.4 | Very low | 25.5 | Very low | 153 Ų | 153 | 141 Ų | 141 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | 173.7 | 147.2 | 89 | -94.7 | -45.7 | 0 | 0 | 0 | 114.5 | |||||
| 2041 | A | 27.3 | Very low | 25.6 | Very low | 91.3333 Ų | 91.3333 | 136.3 Ų | 136.3 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | -171.1 | 124.7 | 123.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 2042 | E | 26 | Very low | 25.5 | Very low | 184.333 Ų | 184.333 | 137.8 Ų | 137.8 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | trans | 60.9 | 117.6 | 152.7 | -61.2 | -167.2 | 163.5 | 0 | 0 | 120.3 | ||||
| 2043 | S | 25 | Very low | 25.4 | Very low | 111.667 Ų | 111.667 | 138.8 Ų | 138.8 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | trans | -154.5 | 167.6 | 153.4 | -29.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 2044 | P | 32.7 | Very low | 25.5 | Very low | 129.667 Ų | 129.667 | 136.5 Ų | 136.5 | 84% | 0.842 | 78% | 0.783 | S | S | * | * | -126 | 154.2 | -128.3 | 37.9 | -21.6 | 0 | 0 | 0 | 116.2 | |||||
| 2045 | G | 26 | Very low | 25.5 | Very low | 73 Ų | 73 | 138.6 Ų | 138.6 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | trans | -177.7 | 113 | 154.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L2047 | G2045-L2047 PolarHBondContact O-N 2.75Š| ||
| 2046 | R | 24.1 | Very low | 25.5 | Very low | 233 Ų | 233 | 145.3 Ų | 145.3 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | 130.3 | 118.9 | 111.6 | -113.1 | -171.1 | 168.4 | -174.6 | -1.4 | 110.6 | |||||
| 2047 | L | 24.6 | Very low | 25.3 | Very low | 142.667 Ų | 142.667 | 146 Ų | 146 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | -151.1 | 135.1 | 81.6 | -88.4 | 164.1 | 0 | 0 | 0 | 110.7 | G2045 | G2045-L2047 PolarHBondContact O-N 2.75Š| |||
| 2048 | T | 24.7 | Very low | 25.2 | Very low | 102.667 Ų | 102.667 | 144 Ų | 144 | 63% | 0.63 | 79% | 0.791 | S | S | * | * | trans | 150.1 | 150.5 | 139.3 | 38.3 | 0 | 0 | 0 | 0 | 113.3 | S2050 | T2048-S2050 PolarHBondContact O-N 2.77Š| ||
| 2049 | N | 24.2 | Very low | 25 | Very low | 152.333 Ų | 152.333 | 145.8 Ų | 145.8 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | 68.6 | 133.1 | 113.5 | -82.4 | -14.4 | 0 | 0 | 0 | 117 | |||||
| 2050 | S | 23.8 | Very low | 24.9 | Very low | 107.667 Ų | 107.667 | 148.6 Ų | 148.6 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | 161.6 | 115.4 | 124.7 | 84.1 | 0 | 0 | 0 | 0 | 114.6 | T2048 | T2048-S2050 PolarHBondContact O-N 2.77Š| |||
| 2051 | A | 24.4 | Very low | 24.9 | Very low | 89.6667 Ų | 89.6667 | 146.6 Ų | 146.6 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | 87.6 | 105.3 | 136.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | Q2053 | A2051-Q2053 PolarHBondContact O-N 3.33Š| ||
| 2052 | R | 23.2 | Very low | 24.6 | Very low | 232.333 Ų | 232.333 | 147.7 Ų | 147.7 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | -169.7 | 132.5 | 125.6 | -87.9 | 178.7 | 173.8 | 174 | -1.2 | 114.6 | |||||
| 2053 | Q | 23.5 | Very low | 24.4 | Very low | 175.667 Ų | 175.667 | 148.3 Ų | 148.3 | 82% | 0.821 | 79% | 0.791 | S | S | * | * | trans | 87.8 | 127 | 146.7 | -88.3 | 167 | -49 | 0 | 0 | 118.6 | A2051 | A2051-Q2053 PolarHBondContact O-N 3.33Š| ||
| 2054 | A | 24.7 | Very low | 24.4 | Very low | 94.3333 Ų | 94.3333 | 147.3 Ų | 147.3 | 78% | 0.78 | 79% | 0.791 | S | S | * | * | 75.7 | 117.7 | 123.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 2055 | K | 25.6 | Very low | 23.9 | Very low | 204 Ų | 204 | 149.5 Ų | 149.5 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | -163.6 | 128.3 | 129.8 | -125.7 | 173.5 | -179.2 | -178.7 | 0 | 108 | |||||
| 2056 | R | 24.1 | Very low | 23.8 | Very low | 229 Ų | 229 | 157.2 Ų | 157.2 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | 31.3 | 141.3 | 153.9 | -83 | -176.8 | 164 | 158.8 | -1.8 | 113 | ||||
| 2057 | E | 22.9 | Very low | 23.9 | Very low | 167 Ų | 167 | 151.4 Ų | 151.4 | 78% | 0.78 | 79% | 0.791 | S | S | * | * | trans | -153.2 | 142.4 | 148.1 | -88.6 | 168.9 | 165.4 | 0 | 0 | 111.2 | ||||
| 2058 | S | 24.3 | Very low | 23.9 | Very low | 109.667 Ų | 109.667 | 149.9 Ų | 149.9 | 77% | 0.767 | 79% | 0.792 | S | S | * | * | trans | 98.6 | 116.6 | 148.1 | 25.5 | 0 | 0 | 0 | 0 | 115.3 | L2060 | S2058-L2060 PolarHBondContact O-N 2.87Š| ||
| 2059 | K | 23.8 | Very low | 23.8 | Very low | 181.667 Ų | 181.667 | 152.8 Ų | 152.8 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | 175 | 124 | 118.7 | -101.3 | -179.8 | 172.3 | 175.7 | 0 | 111.2 | V2061 | K2059-V2061 HydrophobicContact CB-CG2 4.36Š| |||
| 2060 | L | 22.6 | Very low | 24 | Very low | 155.333 Ų | 155.333 | 151.1 Ų | 151.1 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | trans | 58 | 142.5 | 157.2 | -87.8 | 113.2 | 0 | 0 | 0 | 112.6 | S2058 | S2058-L2060 PolarHBondContact O-N 2.87Š| ||
| 2061 | V | 24.4 | Very low | 23.9 | Very low | 112.333 Ų | 112.333 | 151 Ų | 151 | 68% | 0.681 | 80% | 0.8 | S | S | * | * | cis | -134.6 | 127.1 | 7.4 | 158.1 | 0 | 0 | 0 | 0 | 108.5 | K2059 K2063 | K2059-V2061 HydrophobicContact CB-CG2 4.36Å; V2061-K2063 HydrophobicContact CG1-CG 4.12Å; V2061-K2063 PolarHBondContact O-N 2.83Å | ||
| 2062 | C | 21.7 | Very low | 23.9 | Very low | 112.667 Ų | 112.667 | 153.5 Ų | 153.5 | 76% | 0.761 | 81% | 0.805 | S | S | * | * | trans | 10.9 | 123.4 | 134.3 | -63.4 | 0 | 0 | 0 | 0 | 116.8 | A2064 | C2062-A2064 PolarHBondContact O-N 3.3Š| ||
| 2063 | K | 22.5 | Very low | 24.1 | Very low | 197.333 Ų | 197.333 | 147.3 Ų | 147.3 | 86% | 0.858 | 80% | 0.797 | S | S | * | * | trans | 133.7 | 129 | 149.2 | -79.7 | 176.7 | 175.8 | 179.6 | 0 | 110.7 | V2061 | V2061-K2063 HydrophobicContact CG1-CG 4.12Å; V2061-K2063 PolarHBondContact O-N 2.83Å | ||
| 2064 | A | 23.4 | Very low | 24.3 | Very low | 92.3333 Ų | 92.3333 | 144.3 Ų | 144.3 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | -171.9 | 119.4 | 62.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | C2062 R2066 | C2062-A2064 PolarHBondContact O-N 3.3Å; A2064-R2066 PolarHBondContact O-N 2.81Å | |||
| 2065 | E | 24.1 | Very low | 24.2 | Very low | 175.333 Ų | 175.333 | 145.3 Ų | 145.3 | 82% | 0.819 | 79% | 0.79 | S | S | * | * | trans | -120 | 136.9 | 133.1 | -70.4 | -176 | 144.7 | 0 | 0 | 111.3 | ||||
| 2066 | R | 23.8 | Very low | 24.1 | Very low | 235 Ų | 235 | 142.6 Ų | 142.6 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | trans | -73.2 | 129.3 | 161.2 | -74 | 174.1 | 177.6 | 168.5 | 0.8 | 112.9 | A2064 S2068 | A2064-R2066 PolarHBondContact O-N 2.81Å; R2066-S2068 PolarHBondContact O-N 2.84Å | ||
| 2067 | S | 25.1 | Very low | 24.2 | Very low | 111.333 Ų | 111.333 | 143 Ų | 143 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | -139.9 | 137.1 | 129.8 | 43.1 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 2068 | S | 25.9 | Very low | 24.4 | Very low | 111 Ų | 111 | 141.8 Ų | 141.8 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | -143 | 137.5 | 95.2 | 26.1 | 0 | 0 | 0 | 0 | 112.4 | R2066 | R2066-S2068 PolarHBondContact O-N 2.84Š| |||
| 2069 | L | 21.8 | Very low | 24.4 | Very low | 163.333 Ų | 163.333 | 140.9 Ų | 140.9 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | trans | -102.2 | 157 | 167.6 | -83.9 | 141.5 | 0 | 0 | 0 | 110.3 | ||||
| 2070 | P | 27.4 | Very low | 24.4 | Very low | 116.333 Ų | 116.333 | 136.1 Ų | 136.1 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | -117.8 | 153 | 129.2 | 34.9 | -24.4 | 0 | 0 | 0 | 113.9 | V2072 | P2070-V2072 PolarHBondContact O-N 3.09Š| |||
| 2071 | S | 21.9 | Very low | 24.6 | Very low | 105.333 Ų | 105.333 | 139 Ų | 139 | 74% | 0.737 | 79% | 0.79 | S | S | * | * | trans | -51.6 | 133.5 | 164 | 55.1 | 0 | 0 | 0 | 0 | 115.5 | S2073 | S2071-S2073 PolarHBondContact O-N 3.19Š| ||
| 2072 | V | 25.8 | Very low | 24.6 | Very low | 142.667 Ų | 142.667 | 138.3 Ų | 138.3 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | trans | -133.8 | 124.7 | 144.6 | 166.4 | 0 | 0 | 0 | 0 | 109.6 | P2070 | P2070-V2072 PolarHBondContact O-N 3.09Š| ||
| 2073 | S | 25.7 | Very low | 24.8 | Very low | 101 Ų | 101 | 136.1 Ų | 136.1 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | -92.8 | 151.7 | 166.7 | 53.6 | 0 | 0 | 0 | 0 | 110.1 | S2071 T2075 | S2071-S2073 PolarHBondContact O-N 3.19Å; S2073-T2075 PolarHBondContact O-N 2.88Å | ||
| 2074 | P | 28.6 | Very low | 25 | Very low | 112.667 Ų | 112.667 | 133.9 Ų | 133.9 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | -135.1 | 140.5 | 119.1 | 38.3 | -23.7 | 0 | 0 | 0 | 115.4 | |||||
| 2075 | T | 23.2 | Very low | 25 | Very low | 116.333 Ų | 116.333 | 138 Ų | 138 | 71% | 0.714 | 79% | 0.794 | S | S | * | * | trans | 27.2 | 126.1 | 148.1 | 48.2 | 0 | 0 | 0 | 0 | 120.7 | S2073 R2077 | S2073-T2075 PolarHBondContact O-N 2.88Å; T2075-R2077 PolarHBondContact O-N 2.9Å | ||
| 2076 | D | 23.8 | Very low | 25 | Very low | 146 Ų | 146 | 135.2 Ų | 135.2 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | trans | 68.7 | 109.9 | 130.9 | -65.5 | -20.4 | 0 | 0 | 0 | 117 | ||||
| 2077 | R | 25.2 | Very low | 25.3 | Very low | 237.333 Ų | 237.333 | 129.2 Ų | 129.2 | 90% | 0.896 | 78% | 0.784 | S | S | * | * | 153.3 | 108.7 | 110.2 | -78.3 | -167 | 177.8 | -179.8 | -0.8 | 114.1 | T2075 | T2075-R2077 PolarHBondContact O-N 2.9Š| |||
| 2078 | V | 27.4 | Very low | 25.2 | Very low | 143 Ų | 143 | 130.6 Ų | 130.6 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | trans | -167.7 | 111.5 | 135.2 | -177 | 0 | 0 | 0 | 0 | 111 | ||||
| 2079 | A | 24 | Very low | 25.3 | Very low | 91.3333 Ų | 91.3333 | 134.1 Ų | 134.1 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | -78.4 | 154.7 | 148.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 2080 | A | 24.9 | Very low | 25.3 | Very low | 79.3333 Ų | 79.3333 | 134 Ų | 134 | 66% | 0.656 | 78% | 0.781 | S | S | * | * | 97.5 | 123.1 | 118.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 2081 | F | 26.4 | Very low | 25.2 | Very low | 216 Ų | 216 | 139.7 Ų | 139.7 | 95% | 0.947 | 79% | 0.788 | S | S | * | * | trans | -152.3 | 122.5 | 141 | -85.9 | -80.9 | 0 | 0 | 0 | 110.9 | ||||
| 2082 | A | 25 | Very low | 25.2 | Very low | 97.6667 Ų | 97.6667 | 142.1 Ų | 142.1 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | trans | -118.6 | 156.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 2083 | G | 25.7 | Very low | 25.3 | Very low | 67.3333 Ų | 67.3333 | 140.6 Ų | 140.6 | 69% | 0.694 | 78% | 0.779 | S | S | * | * | trans | 151.4 | 108.7 | 158.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 2084 | N | 26.3 | Very low | 25.3 | Very low | 150.333 Ų | 150.333 | 143.2 Ų | 143.2 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | 93.7 | 110.8 | 130 | -92.1 | 26.1 | 0 | 0 | 0 | 114.9 | ||||
| 2085 | E | 24.1 | Very low | 25.3 | Very low | 178.333 Ų | 178.333 | 145.8 Ų | 145.8 | 83% | 0.833 | 79% | 0.792 | S | S | * | * | trans | 66.5 | 111.4 | 146.7 | -67.2 | 166.1 | -159.8 | 0 | 0 | 116.8 | ||||
| 2086 | C | 23.5 | Very low | 25.3 | Very low | 118 Ų | 118 | 143.1 Ų | 143.1 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -93.6 | 162.1 | 152.4 | -64.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 2087 | P | 29.5 | Very low | 25.6 | Very low | 108 Ų | 108 | 143.8 Ų | 143.8 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | -128.5 | 153.7 | 73.7 | 31.9 | -13.3 | 0 | 0 | 0 | 116.4 | H2089 | P2087-H2089 PolarHBondContact O-N 3.31Š| |||
| 2088 | D | 23.2 | Very low | 25.6 | Very low | 140.333 Ų | 140.333 | 142 Ų | 142 | 75% | 0.75 | 79% | 0.79 | S | S | * | * | trans | 11.1 | 114.1 | 145.5 | -56.3 | -37.8 | 0 | 0 | 0 | 118.6 | Q2090 | D2088-Q2090 PolarHBondContact O-N 3.07Š| ||
| 2089 | H | 28.1 | Very low | 25.4 | Very low | 185.333 Ų | 185.333 | 140.7 Ų | 140.7 | 86% | 0.858 | 79% | 0.786 | S | S | * | * | trans | -124.5 | 108.9 | 133.2 | -94.6 | -62 | 0 | 0 | 0 | 109.7 | P2087 W2091 | P2087-H2089 PolarHBondContact O-N 3.31Å; H2089-W2091 VanDerWaalsContact C-N 3.31Å; H2089-W2091 PolarHBondContact O-N 2.87Å | ||
| 2090 | Q | 21.6 | Very low | 25.6 | Very low | 161 Ų | 161 | 146.6 Ų | 146.6 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | -63.8 | 126.2 | 170.7 | -72.7 | 167.9 | -41.9 | 0 | 0 | 110.8 | D2088 E2092 | D2088-Q2090 PolarHBondContact O-N 3.07Å; Q2090-E2092 VanDerWaalsContact C-N 3.31Å; Q2090-E2092 PolarHBondContact O-N 3.03Å | ||
| 2091 | W | 25.2 | Very low | 25.6 | Very low | 235.667 Ų | 235.667 | 149.3 Ų | 149.3 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | trans | -114.6 | 102.9 | 148.9 | -105.4 | -51.7 | 0 | 0 | 0 | 107.5 | H2089 T2093 | H2089-W2091 VanDerWaalsContact C-N 3.31Å; H2089-W2091 PolarHBondContact O-N 2.87Å; W2091-T2093 PolarHBondContact O-N 3.02Å | ||
| 2092 | E | 22.8 | Very low | 25.5 | Very low | 156.333 Ų | 156.333 | 148.5 Ų | 148.5 | 73% | 0.731 | 79% | 0.789 | S | S | * | * | trans | -70 | 124.8 | 167 | -69.6 | -179.2 | 153 | 0 | 0 | 109.2 | Q2090 N2094 | Q2090-E2092 VanDerWaalsContact C-N 3.31Å; Q2090-E2092 PolarHBondContact O-N 3.03Å; E2092-N2094 PolarHBondContact O-N 3.25Å | ||
| 2093 | T | 27.4 | Very low | 25.5 | Very low | 110.333 Ų | 110.333 | 149.2 Ų | 149.2 | 68% | 0.677 | 78% | 0.783 | S | S | * | * | trans | -83.5 | 108.1 | 155.7 | 34.6 | 0 | 0 | 0 | 0 | 111.7 | W2091 D2095 | W2091-T2093 PolarHBondContact O-N 3.02Å; T2093-D2095 VanDerWaalsContact C-N 3.35Å; T2093-D2095 PolarHBondContact O-N 3.16Å | ||
| 2094 | N | 25.5 | Very low | 25.4 | Very low | 155.667 Ų | 155.667 | 153.1 Ų | 153.1 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | -97.5 | 113 | 150.2 | -80.8 | -43.6 | 0 | 0 | 0 | 109.4 | E2092 G2096 | E2092-N2094 PolarHBondContact O-N 3.25Å; N2094-G2096 PolarHBondContact O-N 3.29Å | ||
| 2095 | D | 27.7 | Very low | 25.4 | Very low | 167.333 Ų | 167.333 | 151.6 Ų | 151.6 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | trans | -82.6 | 114.4 | 162.5 | -78.7 | -48.2 | 0 | 0 | 0 | 109.6 | T2093 | T2093-D2095 VanDerWaalsContact C-N 3.35Å; T2093-D2095 PolarHBondContact O-N 3.16Å | ||
| 2096 | G | 24.9 | Very low | 25.5 | Very low | 59.6667 Ų | 59.6667 | 150.3 Ų | 150.3 | 62% | 0.615 | 79% | 0.788 | S | S | * | * | trans | -141.9 | 72.3 | 180 | 0 | 0 | 0 | 0 | 0 | 112.2 | N2094 F2098 | N2094-G2096 PolarHBondContact O-N 3.29Å; G2096-F2098 PolarHBondContact O-N 3.1Å | ||
| 2097 | D | 28.4 | Very low | 25.6 | Very low | 161 Ų | 161 | 150.3 Ų | 150.3 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | trans | -68.2 | 83.7 | 173.2 | -74.5 | -22 | 0 | 0 | 0 | 113.7 | C2099 | D2097-C2099 VanDerWaalsContact C-N 3.29Å; D2097-C2099 PolarHBondContact O-N 2.99Å; D2097-C2099 VanDerWaalsContact O-N 3.13Å | ||
| 2098 | F | 26.1 | Very low | 25.5 | Very low | 199.333 Ų | 199.333 | 154.1 Ų | 154.1 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | -89.4 | 83.2 | 162.6 | -98.1 | -87.8 | 0 | 0 | 0 | 111.1 | G2096 Y2100 | G2096-F2098 PolarHBondContact O-N 3.1Å; F2098-Y2100 PolarHBondContact O-N 3.05Å; F2098-Y2100 VanDerWaalsContact O-N 3.12Å | ||
| 2099 | C | 23.9 | Very low | 25.6 | Very low | 115.667 Ų | 115.667 | 153.3 Ų | 153.3 | 78% | 0.782 | 79% | 0.788 | S | S | * | * | trans | -71.5 | 110.9 | 172.3 | -141.2 | 0 | 0 | 0 | 0 | 110.5 | D2097 I2101 | D2097-C2099 VanDerWaalsContact C-N 3.29Å; D2097-C2099 PolarHBondContact O-N 2.99Å; D2097-C2099 VanDerWaalsContact O-N 3.13Å; C2099-I2101 PolarHBondContact O-N 3.08Å | ||
| 2100 | Y | 27.3 | Very low | 25.7 | Very low | 216.667 Ų | 216.667 | 149.4 Ų | 149.4 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | trans | -81.2 | 118.6 | 164.9 | -97.7 | -86.4 | 0 | 0 | 0 | 110 | F2098 K2102 | F2098-Y2100 PolarHBondContact O-N 3.05Å; F2098-Y2100 VanDerWaalsContact O-N 3.12Å; Y2100-K2102 PolarHBondContact O-N 3.4Å | ||
| 2101 | I | 24.9 | Very low | 26 | Very low | 134.667 Ų | 134.667 | 149.1 Ų | 149.1 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | trans | -45.2 | 110.2 | 171.6 | -58.1 | 171.1 | 0 | 0 | 0 | 111.4 | C2099 T2103 | C2099-I2101 PolarHBondContact O-N 3.08Å; I2101-T2103 VanDerWaalsContact C-N 3.31Å; I2101-T2103 HydrophobicContact CG2-CG2 3.9Å; I2101-T2103 PolarHBondContact O-N 3.25Å | ||
| 2102 | K | 24.2 | Very low | 26.3 | Very low | 200.667 Ų | 200.667 | 146.8 Ų | 146.8 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | trans | -87.8 | 90.7 | 154.7 | -87.3 | 168.3 | 179.2 | 173.6 | 0 | 109.2 | Y2100 N2104 | Y2100-K2102 PolarHBondContact O-N 3.4Å; K2102-N2104 PolarHBondContact O-N 3.25Å; K2102-N2104 VanDerWaalsContact O-N 3.07Å | ||
| 2103 | T | 24.6 | Very low | 26.6 | Very low | 112 Ų | 112 | 144.3 Ų | 144.3 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | trans | -43.9 | 106.6 | 136.9 | 55 | 0 | 0 | 0 | 0 | 110.1 | I2101 S2105 | I2101-T2103 VanDerWaalsContact C-N 3.31Å; I2101-T2103 HydrophobicContact CG2-CG2 3.9Å; I2101-T2103 PolarHBondContact O-N 3.25Å; T2103-S2105 PolarHBondContact O-N 3.09Å | ||
| 2104 | N | 24.7 | Very low | 27.2 | Very low | 148.333 Ų | 148.333 | 141.5 Ų | 141.5 | 79% | 0.793 | 75% | 0.747 | S | S | * | * | trans | 1.1 | 93.8 | 154.6 | -75.5 | -21.3 | 0 | 0 | 0 | 113.6 | K2102 L2106 | K2102-N2104 PolarHBondContact O-N 3.25Å; K2102-N2104 VanDerWaalsContact O-N 3.07Å; N2104-L2106 VanDerWaalsContact C-N 3.32Å; N2104-L2106 PolarHBondContact O-N 3.21Å | ||
| 2105 | S | 25.8 | Very low | 28 | Very low | 119.667 Ų | 119.667 | 136.9 Ų | 136.9 | 84% | 0.837 | 73% | 0.727 | S | S | * | * | trans | -53.9 | 104.5 | 157.4 | 51.5 | 0 | 0 | 0 | 0 | 110.6 | T2103 | T2103-S2105 PolarHBondContact O-N 3.09Š| ||
| 2106 | L | 25.5 | Very low | 28.8 | Very low | 151 Ų | 151 | 132.7 Ų | 132.7 | 79% | 0.791 | 70% | 0.704 | S | S | * | * | trans | -74.5 | 137.1 | 161.2 | -77.7 | 161.9 | 0 | 0 | 0 | 107.9 | N2104 F2108 | N2104-L2106 VanDerWaalsContact C-N 3.32Å; N2104-L2106 PolarHBondContact O-N 3.21Å; L2106-F2108 VanDerWaalsContact C-N 3.31Å; L2106-F2108 PolarHBondContact O-N 2.81Å | ||
| 2107 | P | 25.7 | Very low | 30 | Very low | 117.667 Ų | 117.667 | 132.9 Ų | 132.9 | 76% | 0.764 | 69% | 0.691 | S | S | * | * | trans | -66.7 | 117.5 | 176.5 | 29.5 | -33 | 0 | 0 | 0 | 108.7 | D2109 | P2107-D2109 PolarHBondContact O-N 3.14Å; P2107-D2109 VanDerWaalsContact O-N 3.15Å | ||
| 2108 | F | 27.1 | Very low | 31.6 | Very low | 188.667 Ų | 188.667 | 129.5 Ų | 129.5 | 83% | 0.827 | 67% | 0.67 | S | S | * | * | trans | -79.8 | 102.7 | 175.2 | -149 | -91.1 | 0 | 0 | 0 | 108.7 | L2106 S2110 | L2106-F2108 VanDerWaalsContact C-N 3.31Å; L2106-F2108 PolarHBondContact O-N 2.81Å; F2108-S2110 PolarHBondContact O-N 3.13Å; F2108-S2110 VanDerWaalsContact O-N 3.08Å | ||
| 2109 | D | 26 | Very low | 33.8 | Very low | 122.667 Ų | 122.667 | 121.1 Ų | 121.1 | 66% | 0.656 | 64% | 0.635 | S | S | * | * | trans | -72 | 118.7 | -178.9 | -81.6 | -46.5 | 0 | 0 | 0 | 110.7 | P2107 Q2111 W2112 | P2107-D2109 PolarHBondContact O-N 3.14Å; P2107-D2109 VanDerWaalsContact O-N 3.15Å; D2109-Q2111 PolarHBondContact O-N 2.92Å; D2109-W2112 PolarHBondContact O-N 3.11Å; D2109-W2112 VanDerWaalsContact O-N 3.09Å | ||
| 2110 | S | 29.8 | Very low | 36.3 | Very low | 103.667 Ų | 103.667 | 117.4 Ų | 117.4 | 73% | 0.725 | 61% | 0.607 | S | S | * | * | trans | -63.7 | 20.6 | -179.1 | 44.6 | 0 | 0 | 0 | 0 | 113.5 | F2108 W2112 L2113 | F2108-S2110 PolarHBondContact O-N 3.13Å; F2108-S2110 VanDerWaalsContact O-N 3.08Å; S2110-W2112 VanDerWaalsContact C-N 3.32Å; S2110-W2112 PolarHBondContact O-N 3.12Å; S2110-L2113 PolarHBondContact O-N 2.93Å | ||
| 2111 | Q | 28.7 | Very low | 38.9 | Very low | 155.333 Ų | 155.333 | 110 Ų | 110 | 73% | 0.726 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -80.9 | -8.2 | -179.2 | -120.3 | 178.3 | 7.4 | 0 | 0 | 114.6 | D2109 S2114 | D2109-Q2111 PolarHBondContact O-N 2.92Å; Q2111-S2114 PolarHBondContact O-OG 2.75Å |
| 2112 | W | 30.9 | Very low | 41.6 | Very low | 186 Ų | 186 | 104.1 Ų | 104.1 | 71% | 0.705 | 55% | 0.547 | S | S | * | . | trans | -102.1 | 8.2 | -178.6 | -82.3 | 92.9 | 0 | 0 | 0 | 114.2 | D2109 S2110 S2114 S2115 | D2109-W2112 PolarHBondContact O-N 3.11Å; D2109-W2112 VanDerWaalsContact O-N 3.09Å; S2110-W2112 VanDerWaalsContact C-N 3.32Å; S2110-W2112 PolarHBondContact O-N 3.12Å; W2112-S2114 PolarHBondContact O-N 3.13Å; W2112-S2115 WeakPolarHBondContact O-CB 3.39Å; W2112-S2115 PolarHBondContact O-N 3.21Å; W2112-S2115 PolarHBondContact O-OG 2.83Å | ||
| 2113 | L | 28.9 | Very low | 44 | Very low | 103.667 Ų | 103.667 | 96.5 Ų | 96.5 | 54% | 0.543 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -71.1 | 90.1 | 172.4 | -88.1 | 128.8 | 0 | 0 | 0 | 110.9 | K1760 S2110 S2115 D2117 | K1760-L2113 HydrophobicContact CD-CD2 4.24Å; S2110-L2113 PolarHBondContact O-N 2.93Å; L2113-S2115 VanDerWaalsContact C-N 3.31Å; L2113-S2115 PolarHBondContact O-N 3.36Å; L2113-D2117 HydrophobicContact CD2-CB 4.43Å |
| 2114 | S | 39.9 | Very low | 46.3 | Very low | 52 Ų | 52 | 95.8 Ų | 95.8 | 36% | 0.364 | 51% | 0.513 | S | S | . | . | trans | -28.7 | 64.1 | 163 | 20.3 | 0 | 0 | 0 | 0 | 115.1 | Q2111 W2112 L2116 D2117 Q2118 | Q2111-S2114 PolarHBondContact O-OG 2.75Å; W2112-S2114 PolarHBondContact O-N 3.13Å; S2114-L2116 PolarHBondContact O-N 3.13Å; S2114-L2116 VanDerWaalsContact O-N 3.11Å; S2114-D2117 CarbonylContact O-C 3.58Å; S2114-D2117 PolarHBondContact O-N 3.43Å; S2114-D2117 VanDerWaalsContact O-N 3.08Å; S2114-Q2118 WeakPolarHBondContact O-CB 3.36Å; S2114-Q2118 PolarHBondContact O-N 3.26Å | ||
| 2115 | S | 43 | Very low | 48.7 | Very low | 59.3333 Ų | 59.3333 | 95.5 Ų | 95.5 | 42% | 0.415 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | -66.5 | -13.8 | 179.3 | 84.4 | 0 | 0 | 0 | 0 | 115.6 | K1759 K1953 W2112 L2113 D2117 Q2118 | K1759-S2115 WeakPolarHBondContact O-CB 3.46Å; K1953-S2115 PolarHBondContact NZ-O 2.94Å; K1953-S2115 PolarHBondContact NZ-OG 2.87Å; K1953-S2115 VanDerWaalsContact NZ-OG 3.08Å; W2112-S2115 WeakPolarHBondContact O-CB 3.39Å; W2112-S2115 PolarHBondContact O-N 3.21Å; W2112-S2115 PolarHBondContact O-OG 2.83Å; L2113-S2115 VanDerWaalsContact C-N 3.31Å; L2113-S2115 PolarHBondContact O-N 3.36Å; S2115-D2117 VanDerWaalsContact C-N 3.27Å; S2115-D2117 PolarHBondContact O-N 2.84Å; S2115-Q2118 VanDerWaalsContact O-CB 3.32Å; S2115-Q2118 WeakPolarHBondContact O-CB 3.48Å; S2115-Q2118 PolarHBondContact O-N 2.96Å; S2115-Q2118 VanDerWaalsContact O-N 3.08Å |
| 2116 | L | 45 | Very low | 51 | Low | 78.3333 Ų | 78.3333 | 92 Ų | 92 | 41% | 0.41 | 48% | 0.483 | S | S | . | . | G | 310 helix | trans | -78.6 | -25.1 | 177.8 | -86.4 | 151.3 | 0 | 0 | 0 | 113.2 | K1760 F1762 S2114 Q2118 | K1760-L2116 HydrophobicContact CG-CD1 4.14Å; F1762-L2116 HydrophobicContact CB-CD1 3.77Å; F1762-L2116 HydrophobicContact CB-CG 4.33Å; F1762-L2116 HydrophobicContact CD1-CG 4.37Å; F1762-L2116 HydrophobicContact CD2-CD1 3.94Å; F1762-L2116 HydrophobicContact CD2-CG 4.49Å; F1762-L2116 HydrophobicContact CG-CD1 3.82Å; F1762-L2116 HydrophobicContact CG-CD2 4.47Å; F1762-L2116 HydrophobicContact CG-CG 4.14Å; S2114-L2116 PolarHBondContact O-N 3.13Å; S2114-L2116 VanDerWaalsContact O-N 3.11Å; L2116-Q2118 VanDerWaalsContact C-N 3.31Å; L2116-Q2118 PolarHBondContact O-N 3.23Å |
| 2117 | D | 49.9 | Very low | 53.3 | Low | 64.6667 Ų | 64.6667 | 84.8 Ų | 84.8 | 35% | 0.346 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 12.5 | -176.3 | -84.5 | -3.4 | 0 | 0 | 0 | 113.9 | K1759 F1762 L2113 S2114 S2115 V2119 R2160 | K1759-D2117 VanDerWaalsContact CD-OD1 3.28Å; K1759-D2117 WeakPolarHBondContact CD-OD1 3.36Å; K1759-D2117 WeakPolarHBondContact CE-OD1 3.47Å; K1759-D2117 IonicContact NZ-OD1 3.59Å; K1759-D2117 PolarHBondContact NZ-OD1 3.39Å; K1759-D2117 IonicContact NZ-OD2 2.69Å; K1759-D2117 PolarHBondContact NZ-OD2 2.72Å; F1762-D2117 PolarHBondContact N-OD2 3.26Å; L2113-D2117 HydrophobicContact CD2-CB 4.43Å; S2114-D2117 CarbonylContact O-C 3.58Å; S2114-D2117 PolarHBondContact O-N 3.43Å; S2114-D2117 VanDerWaalsContact O-N 3.08Å; S2115-D2117 VanDerWaalsContact C-N 3.27Å; S2115-D2117 PolarHBondContact O-N 2.84Å; D2117-V2119 PolarHBondContact O-N 3.07Å; D2117-R2160 PolarHBondContact O-NE 2.9Å; D2117-R2160 PolarHBondContact O-NH1 3.32Å; D2117-R2160 PolarHBondContact O-NH2 2.98Å |
| 2118 | Q | 61.5 | Low | 55.5 | Low | 89 Ų | 89 | 83.1 Ų | 83.1 | 42% | 0.416 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 24.8 | -170.9 | -119.5 | 173.4 | 5.9 | 0 | 0 | 113.6 | Y1960 S2114 S2115 L2116 Q2120 | Y1960-Q2118 WeakPolarHBondContact CE1-O 3.48Å; Y1960-Q2118 PolarHBondContact OH-O 3.08Å; S2114-Q2118 WeakPolarHBondContact O-CB 3.36Å; S2114-Q2118 PolarHBondContact O-N 3.26Å; S2115-Q2118 VanDerWaalsContact O-CB 3.32Å; S2115-Q2118 WeakPolarHBondContact O-CB 3.48Å; S2115-Q2118 PolarHBondContact O-N 2.96Å; S2115-Q2118 VanDerWaalsContact O-N 3.08Å; L2116-Q2118 VanDerWaalsContact C-N 3.31Å; L2116-Q2118 PolarHBondContact O-N 3.23Å; Q2118-Q2120 PolarHBondContact O-N 3.38Å |
| 2119 | V | 72.5 | Confident | 57.2 | Low | 23 Ų | 23 | 79.2 Ų | 79.2 | 14% | 0.139 | 41% | 0.411 | C | S | . | . | trans | -89.8 | 121.9 | 172.9 | 177.8 | 0 | 0 | 0 | 0 | 109.8 | I1807 A1951 Y1960 L1962 D2117 W2121 | I1807-V2119 HydrophobicContact CD1-CG2 4.17Å; I1807-V2119 HydrophobicContact CG1-CG2 4.45Å; A1951-V2119 HydrophobicContact CB-CG1 3.87Å; A1951-V2119 HydrophobicContact CB-CG2 4.06Å; Y1960-V2119 HydrophobicContact CD2-CG1 4.29Å; Y1960-V2119 HydrophobicContact CE2-CG1 3.88Å; L1962-V2119 HydrophobicContact CD1-CG1 4.46Å; D2117-V2119 PolarHBondContact O-N 3.07Å; V2119-W2121 HydrophobicContact CB-CZ2 4.25Å; V2119-W2121 HydrophobicContact CG1-CD2 4.14Å; V2119-W2121 HydrophobicContact CG1-CE3 4.32Å; V2119-W2121 HydrophobicContact CG1-CH2 4.27Å; V2119-W2121 HydrophobicContact CG1-CZ2 4.07Å; V2119-W2121 HydrophobicContact CG1-CZ3 4.39Å; V2119-W2121 PolarHBondContact O-N 3.18Å | ||
| 2120 | Q | 75.5 | Confident | 58.4 | Low | 39.3333 Ų | 39.3333 | 77.9 Ų | 77.9 | 18% | 0.184 | 41% | 0.412 | C | S | . | . | trans | -79.1 | 105.1 | 170.5 | -172.7 | -174.6 | 9.6 | 0 | 0 | 108.9 | Y1960 Q2118 S2157 L2164 | Y1960-Q2120 WeakPolarHBondContact OH-CB 3.32Å; Y1960-Q2120 PolarHBondContact OH-N 3.02Å; Q2118-Q2120 PolarHBondContact O-N 3.38Å; Q2120-S2157 PolarHBondContact NE2-OG 3.2Å; Q2120-L2164 HydrophobicContact CB-CD1 4.12Å; Q2120-L2164 HydrophobicContact CG-CD1 4.39Å | ||
| 2121 | W | 82.5 | Confident | 59 | Low | 60.6667 Ų | 60.6667 | 81.8 Ų | 81.8 | 23% | 0.23 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -78.5 | 141.1 | 174.4 | -59.4 | 102.9 | 0 | 0 | 0 | 110.8 | F1762 K1805 A1806 I1807 Q1949 A1951 L1962 V2119 | F1762-W2121 HydrophobicContact CE1-CZ2 4.27Å; K1805-W2121 HydrophobicContact CB-CD2 4.34Å; K1805-W2121 HydrophobicContact CB-CE3 4.13Å; K1805-W2121 HydrophobicContact CB-CH2 3.8Å; K1805-W2121 HydrophobicContact CB-CZ2 4.02Å; K1805-W2121 HydrophobicContact CB-CZ3 3.86Å; K1805-W2121 HydrophobicContact CD-CB 4.44Å; K1805-W2121 HydrophobicContact CD-CD2 3.77Å; K1805-W2121 HydrophobicContact CD-CE3 4.1Å; K1805-W2121 HydrophobicContact CD-CG 3.95Å; K1805-W2121 HydrophobicContact CG-CD2 4.08Å; K1805-W2121 HydrophobicContact CG-CE3 3.89Å; K1805-W2121 HydrophobicContact CG-CH2 4.44Å; K1805-W2121 HydrophobicContact CG-CZ3 4.1Å; A1806-W2121 WeakPolarHBondContact O-CH2 3.37Å; I1807-W2121 HydrophobicContact CD1-CZ2 4.04Å; I1807-W2121 HydrophobicContact CG1-CH2 3.89Å; I1807-W2121 HydrophobicContact CG1-CZ2 3.84Å; Q1949-W2121 HydrophobicContact CB-CE3 3.82Å; Q1949-W2121 HydrophobicContact CB-CZ3 3.78Å; A1951-W2121 HydrophobicContact CB-CH2 4.27Å; A1951-W2121 HydrophobicContact CB-CZ3 4.49Å; L1962-W2121 HydrophobicContact CD1-CE3 4.11Å; L1962-W2121 HydrophobicContact CD1-CZ3 3.9Å; V2119-W2121 HydrophobicContact CB-CZ2 4.25Å; V2119-W2121 HydrophobicContact CG1-CD2 4.14Å; V2119-W2121 HydrophobicContact CG1-CE3 4.32Å; V2119-W2121 HydrophobicContact CG1-CH2 4.27Å; V2119-W2121 HydrophobicContact CG1-CZ2 4.07Å; V2119-W2121 HydrophobicContact CG1-CZ3 4.39Å; V2119-W2121 PolarHBondContact O-N 3.18Å |
| 2122 | L | 81.5 | Confident | 59.7 | Low | 11.3333 Ų | 11.3333 | 77.8 Ų | 77.8 | 6% | 0.059 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -80.7 | 148.6 | 180 | -59.4 | -179.8 | 0 | 0 | 0 | 111.7 | Q1949 L1962 T1964 F2000 L2126 I2127 I2154 L2164 | Q1949-L2122 PolarHBondContact NE2-O 3.3Å; L1962-L2122 HydrophobicContact CD2-CD1 3.88Å; L1962-L2122 HydrophobicContact CD2-CD2 4.47Å; L1962-L2122 HydrophobicContact CD2-CG 3.71Å; T1964-L2122 HydrophobicContact CG2-CD1 4.12Å; F2000-L2122 HydrophobicContact CD1-CD1 4.41Å; F2000-L2122 HydrophobicContact CD2-CD1 3.6Å; F2000-L2122 VanDerWaalsContact CD2-CD1 3.46Å; F2000-L2122 HydrophobicContact CE1-CD1 4.23Å; F2000-L2122 HydrophobicContact CE2-CD1 3.33Å; F2000-L2122 VanDerWaalsContact CE2-CD1 3.44Å; F2000-L2122 HydrophobicContact CG-CD1 4.16Å; F2000-L2122 HydrophobicContact CZ-CD1 3.68Å; L2122-L2126 HydrophobicContact CB-CD1 4.36Å; L2122-L2126 HydrophobicContact CD2-CD1 4.16Å; L2122-I2127 HydrophobicContact CB-CD1 4.17Å; L2122-I2127 HydrophobicContact CB-CG1 4.37Å; L2122-I2154 HydrophobicContact CD1-CD1 4.26Å; L2122-I2154 HydrophobicContact CD2-CD1 3.5Å; L2122-I2154 VanDerWaalsContact CD2-CD1 3.49Å; L2122-I2154 HydrophobicContact CG-CD1 4.41Å; L2122-L2164 HydrophobicContact CD2-CD1 4.07Å |
| 2123 | G | 75.8 | Confident | 60.1 | Low | 40.3333 Ų | 40.3333 | 73.6 Ų | 73.6 | 42% | 0.416 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 156.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D2125 L2126 | G2123-D2125 PolarHBondContact O-N 3.34Å; G2123-L2126 PolarHBondContact O-N 3.22Å |
| 2124 | K | 73.2 | Confident | 60.7 | Low | 97.6667 Ų | 97.6667 | 75.3 Ų | 75.3 | 43% | 0.425 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61 | -35.4 | -179 | -66.7 | -179.5 | -179.2 | 177.7 | 0 | 112 | N1803 L2126 I2127 E2128 | N1803-K2124 VanDerWaalsContact ND2-CE 3.33Å; N1803-K2124 WeakPolarHBondContact ND2-CE 3.3Å; N1803-K2124 PolarHBondContact ND2-NZ 3.08Å; N1803-K2124 VanDerWaalsContact ND2-NZ 3.15Å; N1803-K2124 VanDerWaalsContact OD1-CE 3.26Å; N1803-K2124 WeakPolarHBondContact OD1-CE 3.34Å; K2124-L2126 VanDerWaalsContact C-N 3.26Å; K2124-L2126 PolarHBondContact O-N 2.92Å; K2124-L2126 VanDerWaalsContact O-N 3.1Å; K2124-I2127 WeakPolarHBondContact O-CA 3.26Å; K2124-I2127 PolarHBondContact O-N 3.11Å; K2124-I2127 VanDerWaalsContact O-N 3.1Å; K2124-E2128 PolarHBondContact O-N 3.05Å |
| 2125 | D | 73.1 | Confident | 60.8 | Low | 142.333 Ų | 142.333 | 82.2 Ų | 82.2 | 76% | 0.761 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -62.7 | -23.5 | -176.1 | -40.1 | -36.7 | 0 | 0 | 0 | 113.5 | G2123 | G2123-D2125 PolarHBondContact O-N 3.34Å |
| 2126 | L | 74.5 | Confident | 61 | Low | 45 Ų | 45 | 86.8 Ų | 86.8 | 24% | 0.236 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -84.3 | -25.8 | 175.6 | -71.1 | 165.5 | 0 | 0 | 0 | 112.7 | Q1998 L2122 G2123 K2124 E2146 I2154 R2170 | Q1998-L2126 PolarHBondContact NE2-O 3.11Å; Q1998-L2126 VanDerWaalsContact NE2-O 3.08Å; L2122-L2126 HydrophobicContact CB-CD1 4.36Å; L2122-L2126 HydrophobicContact CD2-CD1 4.16Å; G2123-L2126 PolarHBondContact O-N 3.22Å; K2124-L2126 VanDerWaalsContact C-N 3.26Å; K2124-L2126 PolarHBondContact O-N 2.92Å; K2124-L2126 VanDerWaalsContact O-N 3.1Å; L2126-E2146 HydrophobicContact CD2-CB 4.43Å; L2126-I2154 HydrophobicContact CD1-CD1 4.29Å; L2126-I2154 HydrophobicContact CD1-CG2 4.36Å; L2126-R2170 PolarHBondContact O-NH2 3.09Å; L2126-R2170 VanDerWaalsContact O-NH2 3.1Å |
| 2127 | I | 74.5 | Confident | 61.1 | Low | 0.666667 Ų | 0.666667 | 86.9 Ų | 86.9 | 0% | 0.003 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -94.8 | -50.7 | -172.7 | -60.1 | 168.5 | 0 | 0 | 0 | 110.5 | Q1949 T1964 A1966 L2122 K2124 | Q1949-I2127 VanDerWaalsContact CD-CD1 3.4Å; Q1949-I2127 HydrophobicContact CG-CD1 3.57Å; T1964-I2127 HydrophobicContact CG2-CD1 4.35Å; T1964-I2127 HydrophobicContact CG2-CG1 4.41Å; A1966-I2127 HydrophobicContact CB-CG2 4.43Å; A1966-I2127 WeakPolarHBondContact CB-O 3.42Å; L2122-I2127 HydrophobicContact CB-CD1 4.17Å; L2122-I2127 HydrophobicContact CB-CG1 4.37Å; K2124-I2127 WeakPolarHBondContact O-CA 3.26Å; K2124-I2127 PolarHBondContact O-N 3.11Å; K2124-I2127 VanDerWaalsContact O-N 3.1Å |
| 2128 | E | 71.2 | Confident | 61 | Low | 81.6667 Ų | 81.6667 | 87.2 Ų | 87.2 | 38% | 0.382 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -75.1 | 140 | -179.8 | -66.4 | 177.2 | -159 | 0 | 0 | 110.1 | S1947 K2124 S2130 | S1947-E2128 WeakPolarHBondContact OG-CG 3.31Å; S1947-E2128 PolarHBondContact OG-OE1 3.12Å; K2124-E2128 PolarHBondContact O-N 3.05Å; E2128-S2130 PolarHBondContact O-N 3.03Å |
| 2129 | E | 64.4 | Low | 60.4 | Low | 106.667 Ų | 106.667 | 87.3 Ų | 87.3 | 50% | 0.498 | 47% | 0.466 | S | S | . | . | trans | -71.1 | 115.6 | 171.7 | -71.3 | 177.2 | 175.5 | 0 | 0 | 108.7 | F2131 R2170 | E2129-F2131 VanDerWaalsContact C-N 3.31Å; E2129-F2131 HydrophobicContact CB-CD2 4.17Å; E2129-F2131 HydrophobicContact CB-CE2 3.92Å; E2129-F2131 VanDerWaalsContact O-CD2 3.31Å; E2129-F2131 WeakPolarHBondContact O-CD2 3.33Å; E2129-F2131 PolarHBondContact O-N 2.97Å; E2129-F2131 WeakPolarHBondContact OE2-CE2 3.33Å; E2129-F2131 VanDerWaalsContact OE2-CZ 3.24Å; E2129-F2131 WeakPolarHBondContact OE2-CZ 3.36Å; E2129-R2170 VanDerWaalsContact OE1-CD 3.23Å; E2129-R2170 WeakPolarHBondContact OE1-CD 3.38Å | ||
| 2130 | S | 50.3 | Low | 59.2 | Low | 96 Ų | 96 | 90.4 Ų | 90.4 | 67% | 0.671 | 49% | 0.485 | S | S | * | . | trans | -70.3 | 93 | 170.7 | 53.7 | 0 | 0 | 0 | 0 | 109 | E2128 S2132 | E2128-S2130 PolarHBondContact O-N 3.03Å; S2130-S2132 VanDerWaalsContact C-N 3.3Å; S2130-S2132 PolarHBondContact O-N 3.21Å; S2130-S2132 PolarHBondContact O-OG 3.26Å | ||
| 2131 | F | 43.3 | Very low | 57.8 | Low | 185 Ų | 185 | 91.6 Ų | 91.6 | 81% | 0.811 | 50% | 0.495 | S | S | * | . | trans | -66.6 | 72.7 | 164.8 | -75.6 | -82.4 | 0 | 0 | 0 | 109.6 | E2129 S2133 | E2129-F2131 VanDerWaalsContact C-N 3.31Å; E2129-F2131 HydrophobicContact CB-CD2 4.17Å; E2129-F2131 HydrophobicContact CB-CE2 3.92Å; E2129-F2131 VanDerWaalsContact O-CD2 3.31Å; E2129-F2131 WeakPolarHBondContact O-CD2 3.33Å; E2129-F2131 PolarHBondContact O-N 2.97Å; E2129-F2131 WeakPolarHBondContact OE2-CE2 3.33Å; E2129-F2131 VanDerWaalsContact OE2-CZ 3.24Å; E2129-F2131 WeakPolarHBondContact OE2-CZ 3.36Å; F2131-S2133 PolarHBondContact O-N 3.29Å | ||
| 2132 | S | 42.4 | Very low | 56.1 | Low | 71.6667 Ų | 71.6667 | 91 Ų | 91 | 50% | 0.501 | 50% | 0.5 | S | S | . | . | trans | -62.2 | 112.5 | 168.8 | 38.4 | 0 | 0 | 0 | 0 | 109.4 | S2130 D2134 D2138 | S2130-S2132 VanDerWaalsContact C-N 3.3Å; S2130-S2132 PolarHBondContact O-N 3.21Å; S2130-S2132 PolarHBondContact O-OG 3.26Å; S2132-D2134 PolarHBondContact O-N 3.19Å; S2132-D2138 PolarHBondContact OG-OD2 3.16Å | ||
| 2133 | S | 39.8 | Very low | 54.6 | Low | 96.3333 Ų | 96.3333 | 95.3 Ų | 95.3 | 67% | 0.674 | 53% | 0.527 | S | S | * | . | trans | -58.6 | 36.8 | 168.1 | 147.4 | 0 | 0 | 0 | 0 | 112.3 | F2131 R2135 D2138 | F2131-S2133 PolarHBondContact O-N 3.29Å; S2133-R2135 PolarHBondContact O-N 3.45Å; S2133-D2138 VanDerWaalsContact CB-OD2 3.23Å; S2133-D2138 WeakPolarHBondContact CB-OD2 3.26Å; S2133-D2138 PolarHBondContact OG-OD2 3.41Å | ||
| 2134 | D | 40.5 | Very low | 53.2 | Low | 140 Ų | 140 | 99 Ų | 99 | 75% | 0.749 | 54% | 0.536 | S | S | * | . | trans | -91.2 | 63.7 | -179.9 | -79.5 | -26.6 | 0 | 0 | 0 | 111.7 | S2132 L2136 | S2132-D2134 PolarHBondContact O-N 3.19Å; D2134-L2136 PolarHBondContact O-N 3.36Å | ||
| 2135 | R | 42.2 | Very low | 52.1 | Low | 197.333 Ų | 197.333 | 98.9 Ų | 98.9 | 75% | 0.745 | 54% | 0.54 | S | S | * | . | trans | -103.1 | 115.6 | 163.3 | -72.9 | 168.3 | -171.3 | -159.5 | -1.7 | 111.4 | S2133 S2137 D2138 | S2133-R2135 PolarHBondContact O-N 3.45Å; R2135-S2137 PolarHBondContact O-N 2.91Å; R2135-D2138 WeakPolarHBondContact CB-OD1 3.38Å; R2135-D2138 WeakPolarHBondContact O-CB 3.07Å; R2135-D2138 PolarHBondContact O-N 3.12Å | ||
| 2136 | L | 47.7 | Very low | 51.1 | Low | 156.333 Ų | 156.333 | 98.5 Ų | 98.5 | 82% | 0.818 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -22.4 | 161 | -73.8 | 164.1 | 0 | 0 | 0 | 113.4 | D2134 D2138 V2139 V2140 | D2134-L2136 PolarHBondContact O-N 3.36Å; L2136-D2138 VanDerWaalsContact C-N 3.31Å; L2136-D2138 PolarHBondContact O-N 3.36Å; L2136-V2139 PolarHBondContact O-N 3.44Å; L2136-V2140 WeakPolarHBondContact O-CG2 3.28Å; L2136-V2140 PolarHBondContact O-N 3.49Å; L2136-V2140 VanDerWaalsContact O-N 3.11Å |
| 2137 | S | 47.3 | Very low | 50 | Low | 80.6667 Ų | 80.6667 | 97 Ų | 97 | 56% | 0.564 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.5 | -35.2 | 177.2 | -44.5 | 0 | 0 | 0 | 0 | 112.6 | R2135 V2139 V2140 T2141 | R2135-S2137 PolarHBondContact O-N 2.91Å; S2137-V2139 PolarHBondContact O-N 3.18Å; S2137-V2139 VanDerWaalsContact O-N 3.13Å; S2137-V2140 PolarHBondContact O-N 3.03Å; S2137-T2141 PolarHBondContact O-N 2.96Å; S2137-T2141 PolarHBondContact O-OG1 3.32Å |
| 2138 | D | 47.3 | Very low | 49.4 | Very low | 70.3333 Ų | 70.3333 | 99.7 Ų | 99.7 | 38% | 0.376 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69.9 | -28.4 | -170.3 | -72 | -12.2 | 0 | 0 | 0 | 113 | S2132 S2133 R2135 L2136 V2140 T2141 S2142 | S2132-D2138 PolarHBondContact OG-OD2 3.16Å; S2133-D2138 VanDerWaalsContact CB-OD2 3.23Å; S2133-D2138 WeakPolarHBondContact CB-OD2 3.26Å; S2133-D2138 PolarHBondContact OG-OD2 3.41Å; R2135-D2138 WeakPolarHBondContact CB-OD1 3.38Å; R2135-D2138 WeakPolarHBondContact O-CB 3.07Å; R2135-D2138 PolarHBondContact O-N 3.12Å; L2136-D2138 VanDerWaalsContact C-N 3.31Å; L2136-D2138 PolarHBondContact O-N 3.36Å; D2138-V2140 VanDerWaalsContact C-N 3.29Å; D2138-V2140 PolarHBondContact O-N 3.14Å; D2138-T2141 VanDerWaalsContact CA-OG1 3.23Å; D2138-T2141 WeakPolarHBondContact CA-OG1 3.32Å; D2138-T2141 CarbonylContact O-C 3.47Å; D2138-T2141 PolarHBondContact O-N 3.27Å; D2138-T2141 PolarHBondContact O-OG1 2.94Å; D2138-S2142 VanDerWaalsContact O-CB 3.23Å; D2138-S2142 WeakPolarHBondContact O-CB 3.3Å; D2138-S2142 PolarHBondContact O-N 3.16Å; D2138-S2142 PolarHBondContact O-OG 3.04Å; D2138-S2142 VanDerWaalsContact O-OG 3.11Å |
| 2139 | V | 50.1 | Low | 49.1 | Very low | 90.6667 Ų | 90.6667 | 99.5 Ų | 99.5 | 55% | 0.549 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.8 | -39 | 175.4 | -178.3 | 0 | 0 | 0 | 0 | 111.3 | L2136 S2137 S2142 V2143 | L2136-V2139 PolarHBondContact O-N 3.44Å; S2137-V2139 PolarHBondContact O-N 3.18Å; S2137-V2139 VanDerWaalsContact O-N 3.13Å; V2139-S2142 PolarHBondContact O-N 2.9Å; V2139-S2142 PolarHBondContact O-OG 3.11Å; V2139-V2143 HydrophobicContact CG1-CG2 4.38Å; V2139-V2143 WeakPolarHBondContact O-CB 3.43Å; V2139-V2143 VanDerWaalsContact O-CG2 3.25Å; V2139-V2143 WeakPolarHBondContact O-CG2 3.23Å; V2139-V2143 PolarHBondContact O-N 2.87Å; V2139-V2143 VanDerWaalsContact O-N 3.13Å |
| 2140 | V | 47.3 | Very low | 49.2 | Very low | 89 Ų | 89 | 95.1 Ų | 95.1 | 54% | 0.539 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -72.5 | -40.5 | 176.9 | 178.9 | 0 | 0 | 0 | 0 | 110.4 | L2136 S2137 D2138 S2142 V2143 I2144 | L2136-V2140 WeakPolarHBondContact O-CG2 3.28Å; L2136-V2140 PolarHBondContact O-N 3.49Å; L2136-V2140 VanDerWaalsContact O-N 3.11Å; S2137-V2140 PolarHBondContact O-N 3.03Å; D2138-V2140 VanDerWaalsContact C-N 3.29Å; D2138-V2140 PolarHBondContact O-N 3.14Å; V2140-S2142 PolarHBondContact O-N 2.9Å; V2140-V2143 PolarHBondContact O-N 3.28Å; V2140-I2144 HydrophobicContact CG1-CD1 3.61Å; V2140-I2144 VanDerWaalsContact CG1-CD1 3.46Å; V2140-I2144 HydrophobicContact CG1-CG1 4.3Å; V2140-I2144 VanDerWaalsContact O-CB 3.3Å; V2140-I2144 WeakPolarHBondContact O-CB 3.29Å; V2140-I2144 WeakPolarHBondContact O-CD1 3.29Å; V2140-I2144 VanDerWaalsContact O-CG1 3.32Å; V2140-I2144 WeakPolarHBondContact O-CG1 3.34Å; V2140-I2144 PolarHBondContact O-N 2.89Å |
| 2141 | T | 44.9 | Very low | 49.9 | Very low | 63.3333 Ų | 63.3333 | 91.4 Ų | 91.4 | 39% | 0.389 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.6 | -34.9 | 177.4 | -17.1 | 0 | 0 | 0 | 0 | 113 | S2137 D2138 V2143 I2144 N2145 | S2137-T2141 PolarHBondContact O-N 2.96Å; S2137-T2141 PolarHBondContact O-OG1 3.32Å; D2138-T2141 VanDerWaalsContact CA-OG1 3.23Å; D2138-T2141 WeakPolarHBondContact CA-OG1 3.32Å; D2138-T2141 CarbonylContact O-C 3.47Å; D2138-T2141 PolarHBondContact O-N 3.27Å; D2138-T2141 PolarHBondContact O-OG1 2.94Å; T2141-V2143 VanDerWaalsContact C-N 3.31Å; T2141-I2144 PolarHBondContact O-N 2.94Å; T2141-N2145 WeakPolarHBondContact O-CA 3.29Å; T2141-N2145 VanDerWaalsContact O-CB 3.31Å; T2141-N2145 WeakPolarHBondContact O-CB 3.35Å; T2141-N2145 VanDerWaalsContact O-CG 3.23Å; T2141-N2145 PolarHBondContact O-N 2.98Å; T2141-N2145 PolarHBondContact O-ND2 2.82Å |
| 2142 | S | 47.3 | Very low | 51.1 | Low | 48.3333 Ų | 48.3333 | 83.1 Ų | 83.1 | 34% | 0.338 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -71.4 | -31.3 | 175.4 | 67.1 | 0 | 0 | 0 | 0 | 112.6 | D2138 V2139 V2140 E2146 G2147 | D2138-S2142 VanDerWaalsContact O-CB 3.23Å; D2138-S2142 WeakPolarHBondContact O-CB 3.3Å; D2138-S2142 PolarHBondContact O-N 3.16Å; D2138-S2142 PolarHBondContact O-OG 3.04Å; D2138-S2142 VanDerWaalsContact O-OG 3.11Å; V2139-S2142 PolarHBondContact O-N 2.9Å; V2139-S2142 PolarHBondContact O-OG 3.11Å; V2140-S2142 PolarHBondContact O-N 2.9Å; S2142-E2146 WeakPolarHBondContact CB-OE2 3.46Å; S2142-E2146 CarbonylContact O-C 3.48Å; S2142-E2146 VanDerWaalsContact O-CA 3.27Å; S2142-E2146 WeakPolarHBondContact O-CA 3.43Å; S2142-E2146 VanDerWaalsContact O-CB 3.24Å; S2142-E2146 WeakPolarHBondContact O-CB 3.34Å; S2142-E2146 PolarHBondContact O-N 3.02Å; S2142-G2147 PolarHBondContact O-N 3.18Å |
| 2143 | V | 48.7 | Very low | 52.5 | Low | 101.333 Ų | 101.333 | 82.6 Ų | 82.6 | 61% | 0.614 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -75.2 | -35.7 | 173.6 | 172.1 | 0 | 0 | 0 | 0 | 111.5 | V2139 V2140 T2141 | V2139-V2143 HydrophobicContact CG1-CG2 4.38Å; V2139-V2143 WeakPolarHBondContact O-CB 3.43Å; V2139-V2143 VanDerWaalsContact O-CG2 3.25Å; V2139-V2143 WeakPolarHBondContact O-CG2 3.23Å; V2139-V2143 PolarHBondContact O-N 2.87Å; V2139-V2143 VanDerWaalsContact O-N 3.13Å; V2140-V2143 PolarHBondContact O-N 3.28Å; T2141-V2143 VanDerWaalsContact C-N 3.31Å |
| 2144 | I | 48.1 | Very low | 53.9 | Low | 119.333 Ų | 119.333 | 78.8 Ų | 78.8 | 61% | 0.612 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -78.8 | -36.7 | 178.4 | -67.2 | 170.9 | 0 | 0 | 0 | 112 | V2140 T2141 E2146 | V2140-I2144 HydrophobicContact CG1-CD1 3.61Å; V2140-I2144 VanDerWaalsContact CG1-CD1 3.46Å; V2140-I2144 HydrophobicContact CG1-CG1 4.3Å; V2140-I2144 VanDerWaalsContact O-CB 3.3Å; V2140-I2144 WeakPolarHBondContact O-CB 3.29Å; V2140-I2144 WeakPolarHBondContact O-CD1 3.29Å; V2140-I2144 VanDerWaalsContact O-CG1 3.32Å; V2140-I2144 WeakPolarHBondContact O-CG1 3.34Å; V2140-I2144 PolarHBondContact O-N 2.89Å; T2141-I2144 PolarHBondContact O-N 2.94Å; I2144-E2146 VanDerWaalsContact C-N 3.29Å; I2144-E2146 PolarHBondContact O-N 2.79Å |
| 2145 | N | 50 | Low | 54.7 | Low | 95.3333 Ų | 95.3333 | 77.1 Ų | 77.1 | 51% | 0.51 | 44% | 0.439 | S | S | . | . | trans | -85.4 | 48.3 | 179 | -67 | -19.9 | 0 | 0 | 0 | 111.4 | T2141 G2147 D2148 | T2141-N2145 WeakPolarHBondContact O-CA 3.29Å; T2141-N2145 VanDerWaalsContact O-CB 3.31Å; T2141-N2145 WeakPolarHBondContact O-CB 3.35Å; T2141-N2145 VanDerWaalsContact O-CG 3.23Å; T2141-N2145 PolarHBondContact O-N 2.98Å; T2141-N2145 PolarHBondContact O-ND2 2.82Å; N2145-G2147 PolarHBondContact O-N 3.19Å; N2145-D2148 PolarHBondContact O-N 3.15Å; N2145-D2148 VanDerWaalsContact O-N 3.13Å | ||
| 2146 | E | 50.5 | Low | 55.3 | Low | 132.667 Ų | 132.667 | 73.9 Ų | 73.9 | 62% | 0.62 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -62.3 | -18.6 | 177 | -62.1 | -179 | 159.8 | 0 | 0 | 113.4 | L2126 S2142 I2144 D2148 G2152 | L2126-E2146 HydrophobicContact CD2-CB 4.43Å; S2142-E2146 WeakPolarHBondContact CB-OE2 3.46Å; S2142-E2146 CarbonylContact O-C 3.48Å; S2142-E2146 VanDerWaalsContact O-CA 3.27Å; S2142-E2146 WeakPolarHBondContact O-CA 3.43Å; S2142-E2146 VanDerWaalsContact O-CB 3.24Å; S2142-E2146 WeakPolarHBondContact O-CB 3.34Å; S2142-E2146 PolarHBondContact O-N 3.02Å; I2144-E2146 VanDerWaalsContact C-N 3.29Å; I2144-E2146 PolarHBondContact O-N 2.79Å; E2146-D2148 VanDerWaalsContact C-N 3.28Å; E2146-D2148 PolarHBondContact O-N 2.92Å; E2146-G2152 VanDerWaalsContact O-CA 3.24Å; E2146-G2152 WeakPolarHBondContact O-CA 3.41Å |
| 2147 | G | 53.4 | Low | 55.1 | Low | 14.6667 Ų | 14.6667 | 70.2 Ų | 70.2 | 15% | 0.151 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -40.5 | 13.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | S2142 N2145 S2149 R2166 | S2142-G2147 PolarHBondContact O-N 3.18Å; N2145-G2147 PolarHBondContact O-N 3.19Å; G2147-S2149 PolarHBondContact O-N 2.85Å; G2147-S2149 VanDerWaalsContact O-N 3.09Å; G2147-R2166 VanDerWaalsContact O-CZ 3.22Å; G2147-R2166 PolarHBondContact O-NE 3.02Å; G2147-R2166 VanDerWaalsContact O-NE 3.13Å; G2147-R2166 PolarHBondContact O-NH2 2.82Å |
| 2148 | D | 60.3 | Low | 54.9 | Low | 56 Ų | 56 | 71.6 Ų | 71.6 | 30% | 0.299 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -83.9 | -16.8 | -175.9 | -132.8 | 13 | 0 | 0 | 0 | 114.6 | N2145 E2146 R2166 R2170 | N2145-D2148 PolarHBondContact O-N 3.15Å; N2145-D2148 VanDerWaalsContact O-N 3.13Å; E2146-D2148 VanDerWaalsContact C-N 3.28Å; E2146-D2148 PolarHBondContact O-N 2.92Å; D2148-R2166 VanDerWaalsContact CA-NH1 3.26Å; D2148-R2166 PolarHBondContact O-NH1 3Å; D2148-R2166 IonicContact OD1-CZ 3.47Å; D2148-R2166 IonicContact OD1-NH1 3Å; D2148-R2166 PolarHBondContact OD1-NH1 2.82Å; D2148-R2166 IonicContact OD1-NH2 3.12Å; D2148-R2166 PolarHBondContact OD1-NH2 3.1Å; D2148-R2166 VanDerWaalsContact OD1-NH2 3.15Å; D2148-R2170 VanDerWaalsContact CG-NH1 3.31Å; D2148-R2170 IonicContact OD1-CZ 3.18Å; D2148-R2170 IonicContact OD1-NH1 3.46Å; D2148-R2170 PolarHBondContact OD1-NH1 2.9Å; D2148-R2170 IonicContact OD1-NH2 3.17Å; D2148-R2170 PolarHBondContact OD1-NH2 3.02Å; D2148-R2170 VanDerWaalsContact OD1-NH2 3.14Å; D2148-R2170 IonicContact OD2-CZ 2.71Å; D2148-R2170 IonicContact OD2-NH1 3.27Å; D2148-R2170 PolarHBondContact OD2-NH1 3.02Å; D2148-R2170 IonicContact OD2-NH2 3.81Å |
| 2149 | S | 65.5 | Low | 54.7 | Low | 78.6667 Ų | 78.6667 | 75.4 Ų | 75.4 | 55% | 0.55 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -86.1 | 157.7 | 172.9 | -93.6 | 0 | 0 | 0 | 0 | 112.4 | G2147 G2151 G2152 | G2147-S2149 PolarHBondContact O-N 2.85Å; G2147-S2149 VanDerWaalsContact O-N 3.09Å; S2149-G2151 PolarHBondContact O-N 2.77Å; S2149-G2152 PolarHBondContact O-N 2.91Å |
| 2150 | A | 65.6 | Low | 54.5 | Low | 14.6667 Ų | 14.6667 | 77.5 Ų | 77.5 | 12% | 0.121 | 45% | 0.447 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 135.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | G2152 H2221 | A2150-G2152 VanDerWaalsContact C-N 3.29Å; A2150-H2221 HydrophobicContact CB-CB 4.15Å; A2150-H2221 VanDerWaalsContact CB-CD2 3.47Å; A2150-H2221 WeakPolarHBondContact CB-CD2 3.35Å |
| 2151 | G | 65.8 | Low | 54.7 | Low | 18 Ų | 18 | 79.5 Ų | 79.5 | 19% | 0.186 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94 | -13.6 | -169 | 0 | 0 | 0 | 0 | 0 | 114.7 | S2149 V2153 Q2165 R2166 | S2149-G2151 PolarHBondContact O-N 2.77Å; G2151-V2153 PolarHBondContact O-N 3.4Å; G2151-Q2165 WeakPolarHBondContact O-CG 3.37Å; G2151-Q2165 PolarHBondContact O-NE2 3.23Å; G2151-R2166 WeakPolarHBondContact CA-O 3.37Å; G2151-R2166 PolarHBondContact N-O 2.92Å |
| 2152 | G | 69.2 | Low | 55.4 | Low | 9.66667 Ų | 9.66667 | 78 Ų | 78 | 10% | 0.1 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 132 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | E2146 S2149 A2150 Q2165 R2166 | E2146-G2152 VanDerWaalsContact O-CA 3.24Å; E2146-G2152 WeakPolarHBondContact O-CA 3.41Å; S2149-G2152 PolarHBondContact O-N 2.91Å; A2150-G2152 VanDerWaalsContact C-N 3.29Å; G2152-Q2165 CarbonylContact O-C 3.58Å; G2152-Q2165 WeakPolarHBondContact O-CA 3.29Å; G2152-R2166 PolarHBondContact O-N 3.27Å |
| 2153 | V | 70.3 | Confident | 56.7 | Low | 62.6667 Ų | 62.6667 | 77.4 Ų | 77.4 | 38% | 0.38 | 45% | 0.445 | S | S | . | . | B | Isolated β-bridge | trans | -93.9 | 130.3 | 175.3 | -178.3 | 0 | 0 | 0 | 0 | 109.1 | G2151 P2155 Q2165 | G2151-V2153 PolarHBondContact O-N 3.4Å; V2153-P2155 WeakPolarHBondContact O-CD 3.3Å; V2153-Q2165 HydrophobicContact CG2-CB 4.31Å; V2153-Q2165 HydrophobicContact CG2-CG 4.1Å |
| 2154 | I | 69.3 | Low | 58.2 | Low | 15.3333 Ų | 15.3333 | 72.6 Ų | 72.6 | 8% | 0.079 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -78.9 | 122.1 | 176 | -59.9 | 169.2 | 0 | 0 | 0 | 108.5 | F2000 L2122 L2126 L2164 | F2000-I2154 HydrophobicContact CD1-CD1 3.62Å; F2000-I2154 VanDerWaalsContact CD1-CD1 3.49Å; F2000-I2154 HydrophobicContact CD1-CG1 4.4Å; F2000-I2154 HydrophobicContact CE1-CD1 3.5Å; F2000-I2154 VanDerWaalsContact CE1-CD1 3.44Å; F2000-I2154 HydrophobicContact CE1-CG1 4.27Å; F2000-I2154 HydrophobicContact CG-CD1 4.4Å; F2000-I2154 HydrophobicContact CZ-CD1 4.32Å; L2122-I2154 HydrophobicContact CD1-CD1 4.26Å; L2122-I2154 HydrophobicContact CD2-CD1 3.5Å; L2122-I2154 VanDerWaalsContact CD2-CD1 3.49Å; L2122-I2154 HydrophobicContact CG-CD1 4.41Å; L2126-I2154 HydrophobicContact CD1-CD1 4.29Å; L2126-I2154 HydrophobicContact CD1-CG2 4.36Å; I2154-L2164 HydrophobicContact CD1-CB 4.24Å; I2154-L2164 PolarHBondContact N-O 3.02Å |
| 2155 | P | 58.8 | Low | 59.9 | Low | 105 Ų | 105 | 67.1 Ų | 67.1 | 68% | 0.682 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 145.2 | 177.3 | 24.7 | -31.5 | 0 | 0 | 0 | 111.8 | V2153 S2157 | V2153-P2155 WeakPolarHBondContact O-CD 3.3Å; P2155-S2157 PolarHBondContact O-N 3.15Å |
| 2156 | E | 53.3 | Low | 61.5 | Low | 130 Ų | 130 | 62.6 Ų | 62.6 | 61% | 0.607 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -54.3 | 128.6 | -172.4 | -67.4 | -179 | 161.9 | 0 | 0 | 113.5 | S2158 | E2156-S2158 PolarHBondContact O-N 3.26Å; E2156-S2158 VanDerWaalsContact O-N 3.09Å |
| 2157 | S | 44.7 | Very low | 63.3 | Low | 78 Ų | 78 | 56.5 Ų | 56.5 | 55% | 0.545 | 34% | 0.335 | S | S | . | . | trans | -79.1 | 69.4 | 156.8 | 62.3 | 0 | 0 | 0 | 0 | 109.4 | Q2120 P2155 L2159 | Q2120-S2157 PolarHBondContact NE2-OG 3.2Å; P2155-S2157 PolarHBondContact O-N 3.15Å; S2157-L2159 VanDerWaalsContact C-N 3.29Å; S2157-L2159 PolarHBondContact O-N 3.33Å | ||
| 2158 | S | 42.8 | Very low | 64.9 | Low | 109.667 Ų | 109.667 | 56.7 Ų | 56.7 | 77% | 0.767 | 33% | 0.332 | S | S | * | . | S | Bend | trans | 41.8 | 15.3 | 158.8 | 26.3 | 0 | 0 | 0 | 0 | 121.5 | E2156 | E2156-S2158 PolarHBondContact O-N 3.26Å; E2156-S2158 VanDerWaalsContact O-N 3.09Å |
| 2159 | L | 42 | Very low | 66.1 | Low | 150.667 Ų | 150.667 | 54.8 Ų | 54.8 | 79% | 0.789 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -142.6 | -10.1 | -175.7 | -107.9 | 137.6 | 0 | 0 | 0 | 119.4 | S2157 | S2157-L2159 VanDerWaalsContact C-N 3.29Å; S2157-L2159 PolarHBondContact O-N 3.33Å |
| 2160 | R | 47.7 | Very low | 67.1 | Low | 136 Ų | 136 | 54.6 Ų | 54.6 | 51% | 0.513 | 31% | 0.31 | S | S | . | . | trans | -153.3 | 150.2 | -179.5 | -67.2 | -161.2 | -144.6 | -114.6 | 7.2 | 114.9 | D2117 A2162 | D2117-R2160 PolarHBondContact O-NE 2.9Å; D2117-R2160 PolarHBondContact O-NH1 3.32Å; D2117-R2160 PolarHBondContact O-NH2 2.98Å; R2160-A2162 VanDerWaalsContact C-N 3.3Å; R2160-A2162 PolarHBondContact O-N 3.09Å; R2160-A2162 VanDerWaalsContact O-N 3.1Å | ||
| 2161 | D | 50.8 | Low | 68.2 | Low | 130 Ų | 130 | 54.3 Ų | 54.3 | 70% | 0.695 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -72.8 | 15.8 | -166.9 | -55.5 | -68.5 | 0 | 0 | 0 | 118 | K2008 | K2008-D2161 IonicContact NZ-OD1 3.47Å; K2008-D2161 PolarHBondContact NZ-OD1 3.29Å; K2008-D2161 IonicContact NZ-OD2 3.29Å; K2008-D2161 PolarHBondContact NZ-OD2 2.92Å |
| 2162 | A | 59.7 | Low | 69.3 | Low | 32.3333 Ų | 32.3333 | 55.4 Ų | 55.4 | 27% | 0.267 | 31% | 0.312 | S | S | . | . | trans | -127.7 | 113 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111 | R2160 | R2160-A2162 VanDerWaalsContact C-N 3.3Å; R2160-A2162 PolarHBondContact O-N 3.09Å; R2160-A2162 VanDerWaalsContact O-N 3.1Å | ||
| 2163 | S | 74.7 | Confident | 70.3 | Confident | 36 Ų | 36 | 55.3 Ų | 55.3 | 25% | 0.252 | 31% | 0.31 | S | S | . | . | trans | -83.1 | 146.5 | 175.2 | 59.2 | 0 | 0 | 0 | 0 | 111.5 | V2003 | V2003-S2163 PolarHBondContact N-O 2.89Š| ||
| 2164 | L | 80.2 | Confident | 71.3 | Confident | 0.333333 Ų | 0.333333 | 54.3 Ų | 54.3 | 0% | 0.002 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 131.5 | 173.5 | -72.5 | 172.4 | 0 | 0 | 0 | 109.6 | Y1960 L1962 F2000 T2002 Q2120 L2122 I2154 | Y1960-L2164 HydrophobicContact CE2-CD2 3.97Å; L1962-L2164 HydrophobicContact CD2-CD1 4.44Å; F2000-L2164 HydrophobicContact CB-CB 4.46Å; F2000-L2164 HydrophobicContact CB-CD2 4.48Å; T2002-L2164 HydrophobicContact CG2-CD2 3.81Å; Q2120-L2164 HydrophobicContact CB-CD1 4.12Å; Q2120-L2164 HydrophobicContact CG-CD1 4.39Å; L2122-L2164 HydrophobicContact CD2-CD1 4.07Å; I2154-L2164 HydrophobicContact CD1-CB 4.24Å; I2154-L2164 PolarHBondContact N-O 3.02Å |
| 2165 | Q | 83.2 | Confident | 72.3 | Confident | 3.33333 Ų | 3.33333 | 56 Ų | 56 | 2% | 0.016 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 137.8 | 171.6 | -173 | 178.9 | 17 | 0 | 0 | 109.9 | F2000 A2001 V2003 G2151 G2152 V2153 V2167 G2367 | F2000-Q2165 CarbonylContact C-O 3.54Å; F2000-Q2165 VanDerWaalsContact CA-O 3.26Å; F2000-Q2165 WeakPolarHBondContact CA-O 3.35Å; A2001-Q2165 PolarHBondContact N-O 2.93Å; A2001-Q2165 PolarHBondContact O-N 3.17Å; V2003-Q2165 HydrophobicContact CG2-CB 3.53Å; V2003-Q2165 HydrophobicContact CG2-CG 4.43Å; G2151-Q2165 WeakPolarHBondContact O-CG 3.37Å; G2151-Q2165 PolarHBondContact O-NE2 3.23Å; G2152-Q2165 CarbonylContact O-C 3.58Å; G2152-Q2165 WeakPolarHBondContact O-CA 3.29Å; V2153-Q2165 HydrophobicContact CG2-CB 4.31Å; V2153-Q2165 HydrophobicContact CG2-CG 4.1Å; Q2165-V2167 PolarHBondContact O-N 3.14Å; Q2165-G2367 PolarHBondContact NE2-O 2.86Å |
| 2166 | R | 84.4 | Confident | 73.7 | Confident | 0.666667 Ų | 0.666667 | 51.7 Ų | 51.7 | 0% | 0.003 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 109.1 | 172.7 | -169.5 | 178.3 | -61 | -159.8 | -1.6 | 109.1 | Q1998 Y1999 F2000 G2147 D2148 G2151 G2152 I2168 | Q1998-R2166 VanDerWaalsContact NE2-NH1 3.13Å; Y1999-R2166 CarbonylContact O-C 3.55Å; F2000-R2166 HydrophobicContact CD1-CB 3.84Å; F2000-R2166 HydrophobicContact CD1-CG 4.23Å; F2000-R2166 HydrophobicContact CE1-CB 3.66Å; F2000-R2166 HydrophobicContact CE1-CG 3.81Å; F2000-R2166 HydrophobicContact CZ-CG 4.27Å; G2147-R2166 VanDerWaalsContact O-CZ 3.22Å; G2147-R2166 PolarHBondContact O-NE 3.02Å; G2147-R2166 VanDerWaalsContact O-NE 3.13Å; G2147-R2166 PolarHBondContact O-NH2 2.82Å; D2148-R2166 VanDerWaalsContact CA-NH1 3.26Å; D2148-R2166 PolarHBondContact O-NH1 3Å; D2148-R2166 IonicContact OD1-CZ 3.47Å; D2148-R2166 IonicContact OD1-NH1 3Å; D2148-R2166 PolarHBondContact OD1-NH1 2.82Å; D2148-R2166 IonicContact OD1-NH2 3.12Å; D2148-R2166 PolarHBondContact OD1-NH2 3.1Å; D2148-R2166 VanDerWaalsContact OD1-NH2 3.15Å; G2151-R2166 WeakPolarHBondContact CA-O 3.37Å; G2151-R2166 PolarHBondContact N-O 2.92Å; G2152-R2166 PolarHBondContact O-N 3.27Å; R2166-I2168 VanDerWaalsContact CG-O 3.22Å; R2166-I2168 WeakPolarHBondContact CG-O 3.38Å |
| 2167 | V | 87.4 | Confident | 75.3 | Confident | 4.33333 Ų | 4.33333 | 47.1 Ų | 47.1 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | -37.4 | 179.4 | 174.8 | 0 | 0 | 0 | 0 | 111 | Y1999 A2001 Q2165 I2220 H2221 T2222 Q2226 I2230 | Y1999-V2167 PolarHBondContact O-N 3.45Å; A2001-V2167 HydrophobicContact CB-CG2 3.53Å; Q2165-V2167 PolarHBondContact O-N 3.14Å; V2167-I2220 HydrophobicContact CG1-CG2 4.41Å; V2167-I2220 CarbonylContact O-C 3.57Å; V2167-I2220 WeakPolarHBondContact O-CA 3.3Å; V2167-H2221 WeakPolarHBondContact CA-O 3.37Å; V2167-H2221 WeakPolarHBondContact CG1-O 3.46Å; V2167-H2221 PolarHBondContact O-N 3.25Å; V2167-T2222 HydrophobicContact CG1-CG2 3.57Å; V2167-T2222 VanDerWaalsContact CG1-CG2 3.49Å; V2167-Q2226 HydrophobicContact CG2-CG 4.42Å; V2167-I2230 HydrophobicContact CG1-CD1 4.15Å |
| 2168 | I | 87.9 | Confident | 77.3 | Confident | 20 Ų | 20 | 43.4 Ų | 43.4 | 10% | 0.103 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 133.7 | 179.8 | -54.2 | -176.6 | 0 | 0 | 0 | 109.1 | Y1999 R2166 L2218 D2219 I2220 | Y1999-I2168 HydrophobicContact CD1-CD1 4.43Å; Y1999-I2168 HydrophobicContact CD2-CB 3.67Å; Y1999-I2168 HydrophobicContact CD2-CD1 3.64Å; Y1999-I2168 HydrophobicContact CD2-CG1 4.04Å; Y1999-I2168 HydrophobicContact CD2-CG2 4Å; Y1999-I2168 HydrophobicContact CE2-CD1 4.02Å; Y1999-I2168 HydrophobicContact CE2-CG2 4.4Å; Y1999-I2168 HydrophobicContact CG-CB 4.18Å; Y1999-I2168 HydrophobicContact CG-CD1 3.88Å; Y1999-I2168 HydrophobicContact CG-CG1 4.22Å; Y1999-I2168 PolarHBondContact N-O 3.38Å; Y1999-I2168 PolarHBondContact O-N 3.02Å; Y1999-I2168 VanDerWaalsContact O-N 3.15Å; R2166-I2168 VanDerWaalsContact CG-O 3.22Å; R2166-I2168 WeakPolarHBondContact CG-O 3.38Å; I2168-L2218 HydrophobicContact CD1-CD2 4.23Å; I2168-L2218 HydrophobicContact CG2-CD1 4.33Å; I2168-L2218 HydrophobicContact CG2-CD2 3.69Å; I2168-D2219 VanDerWaalsContact CA-O 3.32Å; I2168-D2219 WeakPolarHBondContact CA-O 3.38Å; I2168-D2219 WeakPolarHBondContact CG2-O 3.49Å; I2168-I2220 HydrophobicContact CD1-CD1 4.47Å; I2168-I2220 HydrophobicContact CD1-CG1 4.19Å; I2168-I2220 HydrophobicContact CG1-CG1 4.15Å; I2168-I2220 HydrophobicContact CG1-CG2 4.38Å |
| 2169 | S | 85.7 | Confident | 79.2 | Confident | 14.6667 Ų | 14.6667 | 40 Ų | 40 | 10% | 0.103 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 175.8 | 176.9 | 64.6 | 0 | 0 | 0 | 0 | 112.2 | M1997 C2171 D2219 | M1997-S2169 VanDerWaalsContact O-O 3.06Å; S2169-C2171 PolarHBondContact O-N 2.85Å; S2169-C2171 VanDerWaalsContact O-N 3.1Å; S2169-D2219 PolarHBondContact N-O 3.45Å; S2169-D2219 VanDerWaalsContact N-O 3.17Å; S2169-D2219 WeakPolarHBondContact OG-CB 3.41Å; S2169-D2219 PolarHBondContact OG-OD2 3.22Å |
| 2170 | R | 85.7 | Confident | 80.8 | Confident | 75 Ų | 75 | 34 Ų | 34 | 28% | 0.283 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 110.9 | 172.3 | -74.9 | -169.2 | -173.8 | 88.2 | 7 | 109.4 | M1997 Q1998 L2126 E2129 D2148 | M1997-R2170 CarbonylContact O-C 3.46Å; M1997-R2170 WeakPolarHBondContact O-CA 3.3Å; Q1998-R2170 HydrophobicContact CG-CB 4.4Å; Q1998-R2170 HydrophobicContact CG-CG 3.65Å; Q1998-R2170 VanDerWaalsContact NE2-NE 3.16Å; L2126-R2170 PolarHBondContact O-NH2 3.09Å; L2126-R2170 VanDerWaalsContact O-NH2 3.1Å; E2129-R2170 VanDerWaalsContact OE1-CD 3.23Å; E2129-R2170 WeakPolarHBondContact OE1-CD 3.38Å; D2148-R2170 VanDerWaalsContact CG-NH1 3.31Å; D2148-R2170 IonicContact OD1-CZ 3.18Å; D2148-R2170 IonicContact OD1-NH1 3.46Å; D2148-R2170 PolarHBondContact OD1-NH1 2.9Å; D2148-R2170 IonicContact OD1-NH2 3.17Å; D2148-R2170 PolarHBondContact OD1-NH2 3.02Å; D2148-R2170 VanDerWaalsContact OD1-NH2 3.14Å; D2148-R2170 IonicContact OD2-CZ 2.71Å; D2148-R2170 IonicContact OD2-NH1 3.27Å; D2148-R2170 PolarHBondContact OD2-NH1 3.02Å; D2148-R2170 IonicContact OD2-NH2 3.81Å |
| 2171 | C | 88.4 | Confident | 81.9 | Confident | 8.66667 Ų | 8.66667 | 30.5 Ų | 30.5 | 6% | 0.059 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 168.4 | 178.1 | 63.5 | 0 | 0 | 0 | 0 | 111.6 | G1996 M1997 S2169 K2217 L2218 | G1996-C2171 PolarHBondContact N-O 3.18Å; M1997-C2171 WeakPolarHBondContact CB-O 3.29Å; M1997-C2171 PolarHBondContact N-O 3.2Å; M1997-C2171 PolarHBondContact O-N 2.9Å; M1997-C2171 PolarHBondContact O-SG 3.13Å; M1997-C2171 VanDerWaalsContact O-SG 3.36Å; S2169-C2171 PolarHBondContact O-N 2.85Å; S2169-C2171 VanDerWaalsContact O-N 3.1Å; C2171-K2217 WeakPolarHBondContact CB-O 3.09Å; C2171-L2218 HydrophobicContact CB-CD2 4.45Å |
| 2172 | S | 89.8 | Confident | 82.4 | Confident | 41.6667 Ų | 41.6667 | 27.7 Ų | 27.7 | 29% | 0.291 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 153.4 | 166.9 | 58 | 0 | 0 | 0 | 0 | 110 | F1994 H2215 P2216 | F1994-S2172 VanDerWaalsContact O-CA 3.3Å; F1994-S2172 WeakPolarHBondContact O-CA 3.38Å; S2172-H2215 PolarHBondContact O-ND1 2.81Å; S2172-H2215 VanDerWaalsContact O-ND1 3.11Å; S2172-P2216 WeakPolarHBondContact OG-CD 3.34Å; S2172-P2216 WeakPolarHBondContact OG-CG 3.31Å |
| 2173 | C | 90.7 | Very high | 82.2 | Confident | 7.33333 Ų | 7.33333 | 30.9 Ų | 30.9 | 5% | 0.05 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 130.7 | 179.9 | -178.1 | 0 | 0 | 0 | 0 | 109.7 | R1993 F1994 M1997 L2213 I2214 H2215 | R1993-C2173 WeakPolarHBondContact CA-O 3.39Å; F1994-C2173 HydrophobicContact CB-CB 4.28Å; F1994-C2173 HydrophobicContact CD2-CB 4.44Å; F1994-C2173 PolarHBondContact N-O 2.99Å; F1994-C2173 PolarHBondContact O-N 3.13Å; M1997-C2173 HydrophobicContact CE-CB 3.35Å; M1997-C2173 HydrophobicContact SD-CB 4Å; C2173-L2213 VanDerWaalsContact SG-CD1 3.59Å; C2173-L2213 WeakPolarHBondContact SG-CD1 3.32Å; C2173-I2214 WeakPolarHBondContact CA-O 3.38Å; C2173-H2215 VanDerWaalsContact CB-CE1 3.46Å; C2173-H2215 WeakPolarHBondContact CB-CE1 2.85Å; C2173-H2215 PolarHBondContact SG-CE1 2.95Å; C2173-H2215 VanDerWaalsContact SG-CE1 3.54Å; C2173-H2215 PolarHBondContact SG-NE2 3.1Å; C2173-H2215 VanDerWaalsContact SG-NE2 3.4Å |
| 2174 | E | 90.8 | Very high | 81.3 | Confident | 40.3333 Ų | 40.3333 | 31 Ų | 31 | 19% | 0.188 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 127 | 172.5 | -60.7 | -175.4 | 147.7 | 0 | 0 | 109.1 | R1903 T1992 R1993 M2176 L2213 I2214 | R1903-E2174 IonicContact CZ-OE2 3.52Å; R1903-E2174 IonicContact NE-OE2 3.96Å; R1903-E2174 IonicContact NH2-OE1 3.9Å; R1903-E2174 IonicContact NH2-OE2 3.23Å; R1903-E2174 PolarHBondContact NH2-OE2 2.92Å; T1992-E2174 CarbonylContact O-C 3.55Å; T1992-E2174 VanDerWaalsContact O-CA 3.31Å; T1992-E2174 WeakPolarHBondContact O-CA 3.34Å; R1993-E2174 HydrophobicContact CB-CG 4.41Å; R1993-E2174 WeakPolarHBondContact CD-OE1 3.39Å; R1993-E2174 HydrophobicContact CG-CG 4.15Å; R1993-E2174 IonicContact CZ-OE1 3.13Å; R1993-E2174 IonicContact NE-OE1 3.29Å; R1993-E2174 PolarHBondContact NE-OE1 2.94Å; R1993-E2174 IonicContact NH1-OE1 2.81Å; R1993-E2174 PolarHBondContact NH1-OE1 3.16Å; R1993-E2174 IonicContact NH2-OE1 3Å; E2174-M2176 HydrophobicContact CB-CE 4.47Å; E2174-L2213 CarbonylContact O-C 3.53Å; E2174-L2213 WeakPolarHBondContact O-CA 3.31Å; E2174-I2214 HydrophobicContact CB-CB 4.32Å; E2174-I2214 PolarHBondContact N-O 3.09Å; E2174-I2214 PolarHBondContact O-N 2.78Å |
| 2175 | L | 90.2 | Very high | 79.8 | Confident | 52.6667 Ų | 52.6667 | 36.6 Ų | 36.6 | 28% | 0.276 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 121.7 | 176.7 | 164 | 73 | 0 | 0 | 0 | 108.9 | V1991 T1992 V2177 V2211 T2212 L2213 | V1991-L2175 CarbonylContact C-O 3.59Å; T1992-L2175 WeakPolarHBondContact CB-O 3.39Å; T1992-L2175 PolarHBondContact N-O 3.18Å; T1992-L2175 PolarHBondContact O-N 3.17Å; T1992-L2175 WeakPolarHBondContact OG1-CB 3.39Å; T1992-L2175 PolarHBondContact OG1-O 3.18Å; L2175-V2177 HydrophobicContact CD1-CG2 4.13Å; L2175-V2177 HydrophobicContact CG-CG2 4.26Å; L2175-V2211 HydrophobicContact CD1-CG1 3.95Å; L2175-T2212 WeakPolarHBondContact CA-O 3.29Å; L2175-L2213 HydrophobicContact CB-CD1 4.18Å; L2175-L2213 HydrophobicContact CD1-CB 4.49Å; L2175-L2213 HydrophobicContact CD1-CD1 4.25Å |
| 2176 | M | 88.3 | Confident | 77.9 | Confident | 13 Ų | 13 | 40.9 Ų | 40.9 | 6% | 0.064 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 127.3 | 179.6 | -73.7 | 167.9 | -72.8 | 0 | 0 | 109.6 | I1909 C1912 W1990 V1991 E2174 V2211 T2212 I2214 | I1909-M2176 HydrophobicContact CD1-CE 3.95Å; I1909-M2176 HydrophobicContact CG1-CE 3.33Å; I1909-M2176 VanDerWaalsContact CG1-CE 3.44Å; I1909-M2176 HydrophobicContact CG1-SD 3.72Å; C1912-M2176 HydrophobicContact CB-CG 4.48Å; C1912-M2176 HydrophobicContact CB-SD 4.32Å; W1990-M2176 CarbonylContact O-C 3.52Å; W1990-M2176 VanDerWaalsContact O-CA 3.31Å; W1990-M2176 WeakPolarHBondContact O-CA 3.4Å; V1991-M2176 HydrophobicContact CB-CG 4.44Å; V1991-M2176 HydrophobicContact CG1-CG 4.1Å; V1991-M2176 HydrophobicContact CG2-CG 4.24Å; E2174-M2176 HydrophobicContact CB-CE 4.47Å; M2176-V2211 CarbonylContact O-C 3.59Å; M2176-V2211 WeakPolarHBondContact O-CA 3.32Å; M2176-T2212 HydrophobicContact CE-CG2 4.09Å; M2176-T2212 PolarHBondContact N-O 3.14Å; M2176-T2212 PolarHBondContact O-N 3.1Å; M2176-I2214 HydrophobicContact CE-CD1 3.62Å; M2176-I2214 HydrophobicContact CE-CG1 4.32Å |
| 2177 | V | 87.5 | Confident | 76.1 | Confident | 33.6667 Ų | 33.6667 | 45 Ų | 45 | 20% | 0.204 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 113.9 | 178.9 | -179.4 | 0 | 0 | 0 | 0 | 109 | T1989 W1990 L2175 C2210 V2211 | T1989-V2177 CarbonylContact C-O 3.51Å; T1989-V2177 VanDerWaalsContact CA-O 3.28Å; T1989-V2177 WeakPolarHBondContact CA-O 3.07Å; W1990-V2177 HydrophobicContact CB-CB 4.26Å; W1990-V2177 PolarHBondContact N-O 3.43Å; W1990-V2177 PolarHBondContact O-N 3.28Å; L2175-V2177 HydrophobicContact CD1-CG2 4.13Å; L2175-V2177 HydrophobicContact CG-CG2 4.26Å; V2177-C2210 CarbonylContact C-O 3.55Å; V2177-C2210 VanDerWaalsContact CA-O 3.31Å; V2177-C2210 WeakPolarHBondContact CA-O 3.41Å; V2177-V2211 HydrophobicContact CG1-CG2 4.19Å; V2177-V2211 HydrophobicContact CG2-CG1 4.26Å; V2177-V2211 HydrophobicContact CG2-CG2 4.28Å |
| 2178 | C | 85.9 | Confident | 74 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 128.1 | 170.2 | -169 | 0 | 0 | 0 | 0 | 109.4 | L1911 T1989 F2180 D2209 C2210 | L1911-C2178 HydrophobicContact CB-CB 4.32Å; L1911-C2178 HydrophobicContact CD1-CB 4.28Å; T1989-C2178 HydrophobicContact CG2-CB 4.06Å; C2178-F2180 WeakPolarHBondContact SG-CE2 3.48Å; C2178-D2209 CarbonylContact O-C 3.46Å; C2178-D2209 WeakPolarHBondContact O-CA 3.31Å; C2178-C2210 HydrophobicContact CB-CB 4.29Å; C2178-C2210 WeakPolarHBondContact CB-SG 3.46Å; C2178-C2210 PolarHBondContact N-O 3.12Å; C2178-C2210 PolarHBondContact O-N 2.86Å; C2178-C2210 VanDerWaalsContact O-N 3.1Å |
| 2179 | C | 82.4 | Confident | 72 | Confident | 39.3333 Ų | 39.3333 | 52.1 Ų | 52.1 | 27% | 0.266 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 130.4 | 178.2 | -65.2 | 0 | 0 | 0 | 0 | 110.5 | S1988 D2209 | S1988-C2179 PolarHBondContact N-O 3.4Å; S1988-C2179 PolarHBondContact O-N 2.99Å; S1988-C2179 PolarHBondContact OG-O 3.37Å; C2179-D2209 WeakPolarHBondContact CA-OD1 3.29Å |
| 2180 | F | 76.4 | Confident | 69.9 | Low | 24.6667 Ų | 24.6667 | 54.7 Ų | 54.7 | 11% | 0.108 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 125.9 | 173.8 | -63.9 | -84.4 | 0 | 0 | 0 | 110.4 | L1911 I1978 L1985 G1986 K1987 C2178 P2207 D2208 D2209 | L1911-F2180 HydrophobicContact CD1-CE2 4.23Å; L1911-F2180 HydrophobicContact CD1-CZ 4.29Å; L1911-F2180 HydrophobicContact CD2-CZ 4.25Å; I1978-F2180 HydrophobicContact CD1-CE1 4.2Å; L1985-F2180 HydrophobicContact CD1-CB 4.48Å; G1986-F2180 CarbonylContact O-C 3.54Å; G1986-F2180 WeakPolarHBondContact O-CA 3.42Å; K1987-F2180 HydrophobicContact CB-CD1 3.93Å; K1987-F2180 HydrophobicContact CB-CE1 3.71Å; K1987-F2180 HydrophobicContact CB-CZ 4.5Å; K1987-F2180 HydrophobicContact CD-CE1 3.91Å; K1987-F2180 HydrophobicContact CD-CZ 4.26Å; K1987-F2180 HydrophobicContact CG-CD1 4.28Å; K1987-F2180 HydrophobicContact CG-CE1 3.67Å; K1987-F2180 HydrophobicContact CG-CZ 4.16Å; C2178-F2180 WeakPolarHBondContact SG-CE2 3.48Å; F2180-P2207 HydrophobicContact CD1-CB 3.77Å; F2180-P2207 VanDerWaalsContact CD1-CB 3.46Å; F2180-P2207 HydrophobicContact CD2-CB 4.08Å; F2180-P2207 HydrophobicContact CE1-CB 3.42Å; F2180-P2207 HydrophobicContact CE1-CG 4.49Å; F2180-P2207 VanDerWaalsContact CE2-C 3.46Å; F2180-P2207 HydrophobicContact CE2-CB 3.76Å; F2180-P2207 HydrophobicContact CG-CB 4.08Å; F2180-P2207 HydrophobicContact CZ-CB 3.42Å; F2180-D2208 WeakPolarHBondContact CE2-O 3.41Å; F2180-D2209 PolarHBondContact N-OD1 3.36Å |
| 2181 | T | 69.7 | Low | 67.7 | Low | 60.6667 Ų | 60.6667 | 57.8 Ų | 57.8 | 37% | 0.372 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 131.9 | -174 | 60.4 | 0 | 0 | 0 | 0 | 112.3 | G1986 N2183 | G1986-T2181 WeakPolarHBondContact CA-O 3.47Å; G1986-T2181 PolarHBondContact N-O 3.25Å; G1986-T2181 PolarHBondContact O-N 3.05Å; G1986-T2181 PolarHBondContact O-OG1 3.02Å; T2181-N2183 VanDerWaalsContact C-N 3.31Å; T2181-N2183 PolarHBondContact O-N 3.11Å |
| 2182 | E | 61.5 | Low | 65.3 | Low | 72.6667 Ų | 72.6667 | 60 Ų | 60 | 34% | 0.34 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -76.6 | -6.1 | 175.9 | -64.5 | 173.1 | -157.2 | 0 | 0 | 113.2 | R1831 Q1983 L1985 F2184 R2335 | R1831-E2182 IonicContact CZ-OE2 2.76Å; R1831-E2182 PolarHBondContact NH1-O 3.34Å; R1831-E2182 IonicContact NH1-OE2 2.8Å; R1831-E2182 PolarHBondContact NH2-O 3.01Å; R1831-E2182 IonicContact NH2-OE2 3.67Å; R1831-E2182 PolarHBondContact NH2-OE2 2.84Å; Q1983-E2182 PolarHBondContact NE2-OE1 3.48Å; Q1983-E2182 PolarHBondContact NE2-OE2 3.06Å; L1985-E2182 HydrophobicContact CD2-CB 4.39Å; L1985-E2182 HydrophobicContact CD2-CG 3.6Å; E2182-F2184 PolarHBondContact O-N 3.27Å; E2182-R2335 IonicContact OE1-CZ 3.46Å; E2182-R2335 IonicContact OE1-NE 3.48Å; E2182-R2335 IonicContact OE1-NH2 2.67Å; E2182-R2335 PolarHBondContact OE1-NH2 2.94Å |
| 2183 | N | 56 | Low | 62.9 | Low | 98 Ų | 98 | 66.7 Ų | 66.7 | 52% | 0.524 | 37% | 0.369 | S | S | . | . | trans | -107.5 | 72.9 | -168.2 | -71 | -31.5 | 0 | 0 | 0 | 112.3 | R1831 T2181 | R1831-N2183 WeakPolarHBondContact CD-OD1 3.21Å; R1831-N2183 PolarHBondContact NE-OD1 2.82Å; R1831-N2183 PolarHBondContact NH1-OD1 3.18Å; T2181-N2183 VanDerWaalsContact C-N 3.31Å; T2181-N2183 PolarHBondContact O-N 3.11Å | ||
| 2184 | F | 55.4 | Low | 60.5 | Low | 39 Ų | 39 | 69.3 Ų | 69.3 | 17% | 0.171 | 39% | 0.385 | C | S | . | . | trans | -85.7 | 141.8 | 170.6 | -63.6 | -84.5 | 0 | 0 | 0 | 111.3 | R1831 P1977 L1984 G1986 E2182 E2188 L2189 L2192 | R1831-F2184 PolarHBondContact NH1-O 3.13Å; P1977-F2184 HydrophobicContact CB-CE1 4.07Å; P1977-F2184 HydrophobicContact CB-CE2 3.99Å; P1977-F2184 HydrophobicContact CB-CZ 3.79Å; P1977-F2184 HydrophobicContact CG-CE1 4.39Å; P1977-F2184 HydrophobicContact CG-CE2 4.32Å; P1977-F2184 HydrophobicContact CG-CZ 4.11Å; L1984-F2184 HydrophobicContact CB-CE2 4.01Å; L1984-F2184 HydrophobicContact CB-CZ 4.45Å; L1984-F2184 HydrophobicContact CD2-CD2 4.29Å; L1984-F2184 HydrophobicContact CD2-CE1 4.4Å; L1984-F2184 HydrophobicContact CD2-CE2 3.66Å; L1984-F2184 HydrophobicContact CD2-CZ 3.71Å; L1984-F2184 HydrophobicContact CG-CE1 4.15Å; L1984-F2184 HydrophobicContact CG-CE2 3.64Å; L1984-F2184 HydrophobicContact CG-CZ 3.73Å; L1984-F2184 WeakPolarHBondContact O-CE2 2.81Å; G1986-F2184 VanDerWaalsContact N-CZ 3.33Å; E2182-F2184 PolarHBondContact O-N 3.27Å; F2184-E2188 HydrophobicContact CD2-CB 4.48Å; F2184-E2188 HydrophobicContact CE1-CB 4.39Å; F2184-L2189 HydrophobicContact CB-CD1 3.45Å; F2184-L2189 VanDerWaalsContact CB-CD1 3.45Å; F2184-L2189 HydrophobicContact CB-CG 3.76Å; F2184-L2189 HydrophobicContact CD1-CD1 4.11Å; F2184-L2189 HydrophobicContact CD1-CG 3.94Å; F2184-L2189 HydrophobicContact CD2-CD1 3.9Å; F2184-L2189 HydrophobicContact CD2-CG 4.44Å; F2184-L2189 HydrophobicContact CE1-CG 4.39Å; F2184-L2189 HydrophobicContact CE2-CB 4.47Å; F2184-L2189 HydrophobicContact CE2-CD1 3.16Å; F2184-L2189 HydrophobicContact CE2-CG 3.5Å; F2184-L2189 VanDerWaalsContact CE2-CG 3.5Å; F2184-L2189 HydrophobicContact CG-CD1 4.24Å; F2184-L2189 HydrophobicContact CG-CG 4.16Å; F2184-L2189 HydrophobicContact CZ-CD1 3.51Å; F2184-L2189 HydrophobicContact CZ-CG 4.01Å; F2184-L2192 HydrophobicContact CD1-CD1 4.35Å; F2184-L2192 HydrophobicContact CE1-CD1 4.41Å | ||
| 2185 | E | 47.7 | Very low | 58 | Low | 118.667 Ų | 118.667 | 70.5 Ų | 70.5 | 56% | 0.555 | 40% | 0.397 | S | S | * | . | trans | -73 | 135 | 170.5 | -89.8 | -160.7 | -174.7 | 0 | 0 | 109.8 | S2187 E2188 L2189 | E2185-S2187 PolarHBondContact O-N 3.01Å; E2185-S2187 VanDerWaalsContact O-N 3.09Å; E2185-S2187 VanDerWaalsContact OE2-CB 3.25Å; E2185-S2187 WeakPolarHBondContact OE2-CB 3.28Å; E2185-S2187 PolarHBondContact OE2-OG 2.93Å; E2185-S2187 VanDerWaalsContact OE2-OG 3.05Å; E2185-E2188 HydrophobicContact CB-CG 4.25Å; E2185-E2188 PolarHBondContact N-OE2 2.7Å; E2185-E2188 WeakPolarHBondContact O-CA 3.39Å; E2185-E2188 WeakPolarHBondContact O-CB 3.3Å; E2185-E2188 PolarHBondContact O-N 3.22Å; E2185-L2189 PolarHBondContact O-N 3.21Å | ||
| 2186 | P | 44.6 | Very low | 55.6 | Low | 92 Ų | 92 | 72.1 Ų | 72.1 | 60% | 0.597 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -59.8 | -20.4 | 175 | 7.1 | -10.8 | 0 | 0 | 0 | 113 | E2188 L2189 G2190 | P2186-E2188 PolarHBondContact O-N 3.1Å; P2186-L2189 WeakPolarHBondContact O-CB 3.36Å; P2186-L2189 PolarHBondContact O-N 3.18Å; P2186-G2190 PolarHBondContact O-N 2.95Å |
| 2187 | S | 45.7 | Very low | 53.1 | Low | 88.3333 Ų | 88.3333 | 82.3 Ų | 82.3 | 62% | 0.618 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -58.6 | -30 | 170.4 | -53 | 0 | 0 | 0 | 0 | 113.2 | E2185 | E2185-S2187 PolarHBondContact O-N 3.01Å; E2185-S2187 VanDerWaalsContact O-N 3.09Å; E2185-S2187 VanDerWaalsContact OE2-CB 3.25Å; E2185-S2187 WeakPolarHBondContact OE2-CB 3.28Å; E2185-S2187 PolarHBondContact OE2-OG 2.93Å; E2185-S2187 VanDerWaalsContact OE2-OG 3.05Å |
| 2188 | E | 44.5 | Very low | 50.6 | Low | 103.333 Ų | 103.333 | 88.2 Ų | 88.2 | 48% | 0.483 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -89.8 | -29 | -177.8 | -59 | 177.6 | 154.9 | 0 | 0 | 111.4 | F2184 E2185 P2186 G2190 I2191 L2192 | F2184-E2188 HydrophobicContact CD2-CB 4.48Å; F2184-E2188 HydrophobicContact CE1-CB 4.39Å; E2185-E2188 HydrophobicContact CB-CG 4.25Å; E2185-E2188 PolarHBondContact N-OE2 2.7Å; E2185-E2188 WeakPolarHBondContact O-CA 3.39Å; E2185-E2188 WeakPolarHBondContact O-CB 3.3Å; E2185-E2188 PolarHBondContact O-N 3.22Å; P2186-E2188 PolarHBondContact O-N 3.1Å; E2188-G2190 VanDerWaalsContact C-N 3.32Å; E2188-G2190 PolarHBondContact O-N 3.09Å; E2188-I2191 PolarHBondContact O-N 2.87Å; E2188-L2192 WeakPolarHBondContact O-CD1 3.11Å; E2188-L2192 WeakPolarHBondContact O-CG 3.33Å; E2188-L2192 PolarHBondContact O-N 3.38Å |
| 2189 | L | 44.4 | Very low | 48.4 | Very low | 68.6667 Ų | 68.6667 | 92.4 Ų | 92.4 | 36% | 0.36 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.7 | -15.8 | 179.7 | -100.5 | 146.4 | 0 | 0 | 0 | 114.5 | L1984 F2184 E2185 P2186 I2191 L2192 | L1984-L2189 HydrophobicContact CD2-CD2 4.14Å; F2184-L2189 HydrophobicContact CB-CD1 3.45Å; F2184-L2189 VanDerWaalsContact CB-CD1 3.45Å; F2184-L2189 HydrophobicContact CB-CG 3.76Å; F2184-L2189 HydrophobicContact CD1-CD1 4.11Å; F2184-L2189 HydrophobicContact CD1-CG 3.94Å; F2184-L2189 HydrophobicContact CD2-CD1 3.9Å; F2184-L2189 HydrophobicContact CD2-CG 4.44Å; F2184-L2189 HydrophobicContact CE1-CG 4.39Å; F2184-L2189 HydrophobicContact CE2-CB 4.47Å; F2184-L2189 HydrophobicContact CE2-CD1 3.16Å; F2184-L2189 HydrophobicContact CE2-CG 3.5Å; F2184-L2189 VanDerWaalsContact CE2-CG 3.5Å; F2184-L2189 HydrophobicContact CG-CD1 4.24Å; F2184-L2189 HydrophobicContact CG-CG 4.16Å; F2184-L2189 HydrophobicContact CZ-CD1 3.51Å; F2184-L2189 HydrophobicContact CZ-CG 4.01Å; E2185-L2189 PolarHBondContact O-N 3.21Å; P2186-L2189 WeakPolarHBondContact O-CB 3.36Å; P2186-L2189 PolarHBondContact O-N 3.18Å; L2189-I2191 VanDerWaalsContact C-N 3.28Å; L2189-I2191 PolarHBondContact O-N 3.17Å; L2189-I2191 VanDerWaalsContact O-N 3.1Å; L2189-L2192 HydrophobicContact CD2-CD1 4.07Å; L2189-L2192 PolarHBondContact O-N 3.02Å |
| 2190 | G | 42.8 | Very low | 46.1 | Very low | 69 Ų | 69 | 98.6 Ų | 98.6 | 71% | 0.711 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 24.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | P2186 E2188 | P2186-G2190 PolarHBondContact O-N 2.95Å; E2188-G2190 VanDerWaalsContact C-N 3.32Å; E2188-G2190 PolarHBondContact O-N 3.09Å |
| 2191 | I | 39.3 | Very low | 44.2 | Very low | 140.667 Ų | 140.667 | 100.9 Ų | 100.9 | 72% | 0.721 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | 10.9 | 179.3 | -51.7 | 173.8 | 0 | 0 | 0 | 111.6 | E2188 L2189 H2193 | E2188-I2191 PolarHBondContact O-N 2.87Å; L2189-I2191 VanDerWaalsContact C-N 3.28Å; L2189-I2191 PolarHBondContact O-N 3.17Å; L2189-I2191 VanDerWaalsContact O-N 3.1Å; I2191-H2193 VanDerWaalsContact C-N 3.31Å; I2191-H2193 HydrophobicContact CG2-CB 4.13Å; I2191-H2193 PolarHBondContact O-N 3Å; I2191-H2193 VanDerWaalsContact O-N 3.1Å |
| 2192 | L | 38.2 | Very low | 42.8 | Very low | 56.3333 Ų | 56.3333 | 104.4 Ų | 104.4 | 30% | 0.295 | 59% | 0.586 | S | S | . | * | trans | -76.4 | 82.8 | 170.8 | -74.6 | 166.3 | 0 | 0 | 0 | 110.1 | L1918 P1977 L1984 F2184 E2188 L2189 V2194 | L1918-L2192 HydrophobicContact CD1-CD1 4.02Å; L1918-L2192 HydrophobicContact CD1-CD2 4.21Å; L1918-L2192 HydrophobicContact CD2-CD2 4.08Å; P1977-L2192 HydrophobicContact CG-CD1 3.83Å; P1977-L2192 HydrophobicContact CG-CD2 3.98Å; L1984-L2192 HydrophobicContact CD2-CD1 4.19Å; F2184-L2192 HydrophobicContact CD1-CD1 4.35Å; F2184-L2192 HydrophobicContact CE1-CD1 4.41Å; E2188-L2192 WeakPolarHBondContact O-CD1 3.11Å; E2188-L2192 WeakPolarHBondContact O-CG 3.33Å; E2188-L2192 PolarHBondContact O-N 3.38Å; L2189-L2192 HydrophobicContact CD2-CD1 4.07Å; L2189-L2192 PolarHBondContact O-N 3.02Å; L2192-V2194 HydrophobicContact CB-CG2 4.29Å; L2192-V2194 HydrophobicContact CD2-CB 3.72Å; L2192-V2194 HydrophobicContact CD2-CG2 3.52Å; L2192-V2194 PolarHBondContact O-N 2.98Å | ||
| 2193 | H | 39.1 | Very low | 41.7 | Very low | 181.667 Ų | 181.667 | 106.5 Ų | 106.5 | 84% | 0.841 | 60% | 0.604 | S | S | * | * | trans | -76.6 | 58.5 | 158.3 | -119.1 | -80 | 0 | 0 | 0 | 109 | I2191 S2195 | I2191-H2193 VanDerWaalsContact C-N 3.31Å; I2191-H2193 HydrophobicContact CG2-CB 4.13Å; I2191-H2193 PolarHBondContact O-N 3Å; I2191-H2193 VanDerWaalsContact O-N 3.1Å; H2193-S2195 VanDerWaalsContact C-N 3.29Å; H2193-S2195 PolarHBondContact O-N 3.06Å; H2193-S2195 VanDerWaalsContact O-N 3.11Å | ||
| 2194 | V | 41 | Very low | 41 | Very low | 62 Ų | 62 | 110.5 Ų | 110.5 | 38% | 0.376 | 62% | 0.619 | S | S | . | * | trans | -78.8 | 91.4 | 167.2 | -176 | 0 | 0 | 0 | 0 | 106.2 | P1977 L2192 A2196 | P1977-V2194 HydrophobicContact CG-CG2 4.37Å; L2192-V2194 HydrophobicContact CB-CG2 4.29Å; L2192-V2194 HydrophobicContact CD2-CB 3.72Å; L2192-V2194 HydrophobicContact CD2-CG2 3.52Å; L2192-V2194 PolarHBondContact O-N 2.98Å; V2194-A2196 PolarHBondContact O-N 2.98Å; V2194-A2196 VanDerWaalsContact O-N 3.11Å | ||
| 2195 | S | 36.5 | Very low | 40.6 | Very low | 64.6667 Ų | 64.6667 | 112.2 Ų | 112.2 | 45% | 0.452 | 64% | 0.635 | S | S | . | * | trans | -37.2 | 99.7 | 161.4 | 37.4 | 0 | 0 | 0 | 0 | 110.9 | H2193 R2197 E2198 | H2193-S2195 VanDerWaalsContact C-N 3.29Å; H2193-S2195 PolarHBondContact O-N 3.06Å; H2193-S2195 VanDerWaalsContact O-N 3.11Å; S2195-R2197 PolarHBondContact O-N 3.07Å; S2195-E2198 PolarHBondContact OG-OE2 3.09Å | ||
| 2196 | A | 40.9 | Very low | 40.9 | Very low | 86 Ų | 86 | 110.7 Ų | 110.7 | 71% | 0.711 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | 19.8 | 171 | 0 | 0 | 0 | 0 | 0 | 113.5 | V2194 | V2194-A2196 PolarHBondContact O-N 2.98Å; V2194-A2196 VanDerWaalsContact O-N 3.11Å |
| 2197 | R | 36.2 | Very low | 41.6 | Very low | 228.333 Ų | 228.333 | 106.8 Ų | 106.8 | 86% | 0.862 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.3 | 0.2 | -171.8 | -75.8 | -170.2 | 173.8 | -179.2 | -1.7 | 115 | S2195 | S2195-R2197 PolarHBondContact O-N 3.07Š|
| 2198 | E | 34.9 | Very low | 42.6 | Very low | 157 Ų | 157 | 102.7 Ų | 102.7 | 73% | 0.734 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -130.9 | 37.7 | -178.8 | -68.4 | 179.9 | 163.2 | 0 | 0 | 111.9 | S2195 D2200 | S2195-E2198 PolarHBondContact OG-OE2 3.09Å; E2198-D2200 VanDerWaalsContact C-N 3.26Å; E2198-D2200 PolarHBondContact O-N 3Å |
| 2199 | C | 38.6 | Very low | 44.3 | Very low | 90 Ų | 90 | 99.5 Ų | 99.5 | 61% | 0.608 | 56% | 0.563 | S | S | * | * | trans | -115.4 | 39.4 | 167.6 | -72.4 | 0 | 0 | 0 | 0 | 111.7 | G2201 I2202 | C2199-G2201 PolarHBondContact O-N 2.87Å; C2199-G2201 VanDerWaalsContact O-N 3.09Å; C2199-I2202 HydrophobicContact CB-CD1 3.97Å; C2199-I2202 HydrophobicContact CB-CG1 3.83Å | ||
| 2200 | D | 34.9 | Very low | 46.4 | Very low | 169.667 Ų | 169.667 | 96.3 Ų | 96.3 | 91% | 0.907 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -78.2 | 92.4 | 163.6 | -73 | -29.8 | 0 | 0 | 0 | 108.2 | E2198 | E2198-D2200 VanDerWaalsContact C-N 3.26Å; E2198-D2200 PolarHBondContact O-N 3Å |
| 2201 | G | 37.3 | Very low | 48.6 | Very low | 73 Ų | 73 | 94.9 Ų | 94.9 | 75% | 0.753 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 140.4 | -2.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | C2199 T2203 | C2199-G2201 PolarHBondContact O-N 2.87Å; C2199-G2201 VanDerWaalsContact O-N 3.09Å; G2201-T2203 PolarHBondContact O-N 2.87Å |
| 2202 | I | 39 | Very low | 51.1 | Low | 134 Ų | 134 | 88.2 Ų | 88.2 | 69% | 0.687 | 49% | 0.489 | S | S | * | . | trans | -72.9 | 118.1 | 165.7 | -52.2 | 178.1 | 0 | 0 | 0 | 106.4 | C2199 E2204 | C2199-I2202 HydrophobicContact CB-CD1 3.97Å; C2199-I2202 HydrophobicContact CB-CG1 3.83Å; I2202-E2204 PolarHBondContact O-N 3.04Å | ||
| 2203 | T | 38.8 | Very low | 53.7 | Low | 117 Ų | 117 | 88 Ų | 88 | 72% | 0.718 | 49% | 0.488 | S | S | * | . | trans | -45.7 | 124.4 | 168.4 | 37.1 | 0 | 0 | 0 | 0 | 109 | G2201 C2205 | G2201-T2203 PolarHBondContact O-N 2.87Å; T2203-C2205 VanDerWaalsContact C-N 3.26Å; T2203-C2205 PolarHBondContact O-N 3.04Å | ||
| 2204 | E | 41.9 | Very low | 56.2 | Low | 181.5 Ų | 181.5 | 79.3 Ų | 79.3 | 85% | 0.848 | 45% | 0.448 | S | S | * | . | trans | -60.9 | 85.4 | 175.2 | -72.7 | -176.4 | 136.6 | 0 | 0 | 108.9 | I2202 D2206 | I2202-E2204 PolarHBondContact O-N 3.04Å; E2204-D2206 PolarHBondContact O-N 3.18Å | ||
| 2205 | C | 45.9 | Very low | 58.6 | Low | 75 Ų | 75 | 77.2 Ų | 77.2 | 51% | 0.507 | 43% | 0.434 | S | S | . | . | trans | -62.3 | 112.6 | 159.9 | -84.5 | 0 | 0 | 0 | 0 | 106.3 | T2203 P2207 | T2203-C2205 VanDerWaalsContact C-N 3.26Å; T2203-C2205 PolarHBondContact O-N 3.04Å; C2205-P2207 VanDerWaalsContact O-CD 3.27Å; C2205-P2207 WeakPolarHBondContact O-CD 3.41Å; C2205-P2207 VanDerWaalsContact O-N 3.08Å | ||
| 2206 | D | 55.1 | Low | 61.1 | Low | 86.5 Ų | 86.5 | 75.5 Ų | 75.5 | 46% | 0.463 | 42% | 0.421 | S | S | . | . | trans | -66.6 | 105.3 | 169.5 | -108.9 | -27.4 | 0 | 0 | 0 | 107.4 | R1980 E2204 D2208 | R1980-D2206 IonicContact CZ-OD1 3.52Å; R1980-D2206 IonicContact NE-OD1 3.02Å; R1980-D2206 IonicContact NH2-OD1 3.45Å; R1980-D2206 PolarHBondContact NH2-OD1 2.6Å; E2204-D2206 PolarHBondContact O-N 3.18Å; D2206-D2208 VanDerWaalsContact C-N 3.33Å; D2206-D2208 VanDerWaalsContact O-CG 3.25Å; D2206-D2208 PolarHBondContact O-N 3.25Å | ||
| 2207 | P | 58.2 | Low | 63.4 | Low | 9.5 Ų | 9.5 | 75.7 Ų | 75.7 | 6% | 0.062 | 41% | 0.406 | C | S | . | . | trans | -73.3 | 95 | -174.3 | 22.6 | -29.4 | 0 | 0 | 0 | 110.5 | R1980 L1985 F2180 C2205 | R1980-P2207 HydrophobicContact CB-CG 4.36Å; R1980-P2207 HydrophobicContact CG-CG 4Å; R1980-P2207 VanDerWaalsContact CZ-CD 3.4Å; R1980-P2207 PolarHBondContact NH1-O 3.34Å; R1980-P2207 PolarHBondContact NH2-O 2.95Å; L1985-P2207 HydrophobicContact CD1-CG 4.49Å; F2180-P2207 HydrophobicContact CD1-CB 3.77Å; F2180-P2207 VanDerWaalsContact CD1-CB 3.46Å; F2180-P2207 HydrophobicContact CD2-CB 4.08Å; F2180-P2207 HydrophobicContact CE1-CB 3.42Å; F2180-P2207 HydrophobicContact CE1-CG 4.49Å; F2180-P2207 VanDerWaalsContact CE2-C 3.46Å; F2180-P2207 HydrophobicContact CE2-CB 3.76Å; F2180-P2207 HydrophobicContact CG-CB 4.08Å; F2180-P2207 HydrophobicContact CZ-CB 3.42Å; C2205-P2207 VanDerWaalsContact O-CD 3.27Å; C2205-P2207 WeakPolarHBondContact O-CD 3.41Å; C2205-P2207 VanDerWaalsContact O-N 3.08Å | ||
| 2208 | D | 67.4 | Low | 66 | Low | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.011 | 37% | 0.369 | C | S | . | . | trans | -101 | 129.6 | -173.8 | -64.6 | -11.1 | 0 | 0 | 0 | 110.6 | R1980 F2180 D2206 C2210 V2347 R2350 | R1980-D2208 IonicContact NH2-OD1 3.63Å; R1980-D2208 PolarHBondContact NH2-OD1 3.31Å; R1980-D2208 VanDerWaalsContact NH2-OD1 3.16Å; F2180-D2208 WeakPolarHBondContact CE2-O 3.41Å; D2206-D2208 VanDerWaalsContact C-N 3.33Å; D2206-D2208 VanDerWaalsContact O-CG 3.25Å; D2206-D2208 PolarHBondContact O-N 3.25Å; D2208-C2210 PolarHBondContact O-N 3.22Å; D2208-V2347 HydrophobicContact CB-CB 4.41Å; D2208-V2347 HydrophobicContact CB-CG1 4.03Å; D2208-V2347 VanDerWaalsContact CG-CB 3.44Å; D2208-V2347 VanDerWaalsContact CG-CG1 3.46Å; D2208-V2347 VanDerWaalsContact OD1-CB 3.3Å; D2208-V2347 WeakPolarHBondContact OD1-CB 3.35Å; D2208-V2347 VanDerWaalsContact OD2-CB 3.26Å; D2208-V2347 WeakPolarHBondContact OD2-CB 3.27Å; D2208-V2347 VanDerWaalsContact OD2-CG1 3.3Å; D2208-V2347 WeakPolarHBondContact OD2-CG1 3.09Å; D2208-R2350 HydrophobicContact CB-CB 4.5Å; D2208-R2350 IonicContact OD2-CZ 2.94Å; D2208-R2350 IonicContact OD2-NE 3.75Å; D2208-R2350 PolarHBondContact OD2-NE 3.43Å; D2208-R2350 IonicContact OD2-NH1 3.68Å; D2208-R2350 IonicContact OD2-NH2 2.78Å; D2208-R2350 PolarHBondContact OD2-NH2 2.8Å | ||
| 2209 | D | 80.2 | Confident | 68.6 | Low | 37.5 Ų | 37.5 | 59.6 Ų | 59.6 | 20% | 0.201 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55 | 112.7 | 165.9 | -86.8 | 1.9 | 0 | 0 | 0 | 107.9 | C2178 C2179 F2180 R2349 R2350 | C2178-D2209 CarbonylContact O-C 3.46Å; C2178-D2209 WeakPolarHBondContact O-CA 3.31Å; C2179-D2209 WeakPolarHBondContact CA-OD1 3.29Å; F2180-D2209 PolarHBondContact N-OD1 3.36Å; D2209-R2349 HydrophobicContact CB-CB 4.44Å; D2209-R2349 HydrophobicContact CB-CG 4.12Å; D2209-R2349 CarbonylContact O-C 3.55Å; D2209-R2349 VanDerWaalsContact O-CA 3.27Å; D2209-R2349 WeakPolarHBondContact O-CA 3.21Å; D2209-R2349 WeakPolarHBondContact O-CG 2.96Å; D2209-R2349 IonicContact OD2-CZ 3.87Å; D2209-R2349 IonicContact OD2-NE 3.93Å; D2209-R2349 PolarHBondContact OD2-NE 3.47Å; D2209-R2349 IonicContact OD2-NH2 2.62Å; D2209-R2349 PolarHBondContact OD2-NH2 2.8Å; D2209-R2350 PolarHBondContact O-N 3.16Å |
| 2210 | C | 87.6 | Confident | 71.1 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.007 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 137.3 | -171.6 | 134.8 | 0 | 0 | 0 | 0 | 111.2 | G1908 L1911 V2177 C2178 D2208 R2350 | G1908-C2210 WeakPolarHBondContact CA-SG 3Å; L1911-C2210 HydrophobicContact CD1-CB 4.27Å; V2177-C2210 CarbonylContact C-O 3.55Å; V2177-C2210 VanDerWaalsContact CA-O 3.31Å; V2177-C2210 WeakPolarHBondContact CA-O 3.41Å; C2178-C2210 HydrophobicContact CB-CB 4.29Å; C2178-C2210 WeakPolarHBondContact CB-SG 3.46Å; C2178-C2210 PolarHBondContact N-O 3.12Å; C2178-C2210 PolarHBondContact O-N 2.86Å; C2178-C2210 VanDerWaalsContact O-N 3.1Å; D2208-C2210 PolarHBondContact O-N 3.22Å; C2210-R2350 CarbonylContact C-O 3.58Å; C2210-R2350 VanDerWaalsContact CA-O 3.29Å; C2210-R2350 WeakPolarHBondContact CA-O 3.23Å; C2210-R2350 HydrophobicContact CB-CB 4.39Å |
| 2211 | V | 90.5 | Very high | 73.7 | Confident | 39.5 Ų | 39.5 | 50.8 Ų | 50.8 | 24% | 0.239 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 111.4 | 174.3 | 178.4 | 0 | 0 | 0 | 0 | 108.3 | L2175 M2176 V2177 R2350 F2351 E2352 | L2175-V2211 HydrophobicContact CD1-CG1 3.95Å; M2176-V2211 CarbonylContact O-C 3.59Å; M2176-V2211 WeakPolarHBondContact O-CA 3.32Å; V2177-V2211 HydrophobicContact CG1-CG2 4.19Å; V2177-V2211 HydrophobicContact CG2-CG1 4.26Å; V2177-V2211 HydrophobicContact CG2-CG2 4.28Å; V2211-R2350 PolarHBondContact N-O 2.95Å; V2211-F2351 HydrophobicContact CB-CD1 3.72Å; V2211-F2351 HydrophobicContact CB-CE1 3.98Å; V2211-F2351 HydrophobicContact CG1-CD1 4.14Å; V2211-F2351 HydrophobicContact CG1-CE1 4.22Å; V2211-F2351 HydrophobicContact CG2-CD1 4.22Å; V2211-F2351 HydrophobicContact CG2-CE1 3.97Å; V2211-F2351 CarbonylContact O-C 3.55Å; V2211-F2351 WeakPolarHBondContact O-CA 3.47Å; V2211-E2352 PolarHBondContact O-N 2.74Å |
| 2212 | T | 91.3 | Very high | 76.2 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 119.4 | -176.6 | -53.2 | 0 | 0 | 0 | 0 | 109.4 | L1906 G1908 L2175 M2176 I2214 E2352 | L1906-T2212 HydrophobicContact CB-CG2 4.36Å; L1906-T2212 HydrophobicContact CD1-CG2 4.02Å; G1908-T2212 VanDerWaalsContact CA-OG1 3.3Å; G1908-T2212 WeakPolarHBondContact CA-OG1 3.15Å; L2175-T2212 WeakPolarHBondContact CA-O 3.29Å; M2176-T2212 HydrophobicContact CE-CG2 4.09Å; M2176-T2212 PolarHBondContact N-O 3.14Å; M2176-T2212 PolarHBondContact O-N 3.1Å; T2212-I2214 HydrophobicContact CG2-CD1 4.16Å; T2212-I2214 HydrophobicContact CG2-CG1 4.01Å; T2212-E2352 CarbonylContact C-O 3.53Å; T2212-E2352 VanDerWaalsContact CA-O 3.31Å; T2212-E2352 WeakPolarHBondContact CA-O 3.18Å; T2212-E2352 HydrophobicContact CG2-CB 3.91Å; T2212-E2352 WeakPolarHBondContact CG2-OE2 2.84Å; T2212-E2352 PolarHBondContact OG1-OE2 3.17Å |
| 2213 | L | 92.4 | Very high | 78.4 | Confident | 52 Ų | 52 | 41.3 Ų | 41.3 | 27% | 0.272 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 129.1 | 176.6 | 179.4 | 67.8 | 0 | 0 | 0 | 109.5 | C2173 E2174 L2175 E2352 V2353 S2354 | C2173-L2213 VanDerWaalsContact SG-CD1 3.59Å; C2173-L2213 WeakPolarHBondContact SG-CD1 3.32Å; E2174-L2213 CarbonylContact O-C 3.53Å; E2174-L2213 WeakPolarHBondContact O-CA 3.31Å; L2175-L2213 HydrophobicContact CB-CD1 4.18Å; L2175-L2213 HydrophobicContact CD1-CB 4.49Å; L2175-L2213 HydrophobicContact CD1-CD1 4.25Å; L2213-E2352 PolarHBondContact N-O 2.72Å; L2213-V2353 HydrophobicContact CB-CG2 4.43Å; L2213-V2353 HydrophobicContact CD2-CG1 4.27Å; L2213-V2353 CarbonylContact O-C 3.49Å; L2213-V2353 WeakPolarHBondContact O-CA 3.39Å; L2213-S2354 PolarHBondContact O-N 2.88Å |
| 2214 | I | 91.7 | Very high | 80.7 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 128.8 | -177.2 | -50.1 | -179.6 | 0 | 0 | 0 | 110.3 | R1903 L1906 I1909 C2173 E2174 M2176 T2212 S2354 | R1903-I2214 HydrophobicContact CG-CD1 4.41Å; L1906-I2214 HydrophobicContact CD1-CD1 3.81Å; L1906-I2214 HydrophobicContact CD1-CG1 4.28Å; I1909-I2214 HydrophobicContact CD1-CD1 3.45Å; I1909-I2214 VanDerWaalsContact CD1-CD1 3.45Å; I1909-I2214 HydrophobicContact CG1-CD1 4.2Å; C2173-I2214 WeakPolarHBondContact CA-O 3.38Å; E2174-I2214 HydrophobicContact CB-CB 4.32Å; E2174-I2214 PolarHBondContact N-O 3.09Å; E2174-I2214 PolarHBondContact O-N 2.78Å; M2176-I2214 HydrophobicContact CE-CD1 3.62Å; M2176-I2214 HydrophobicContact CE-CG1 4.32Å; T2212-I2214 HydrophobicContact CG2-CD1 4.16Å; T2212-I2214 HydrophobicContact CG2-CG1 4.01Å; I2214-S2354 WeakPolarHBondContact CA-O 3.41Å |
| 2215 | H | 90.7 | Very high | 82.7 | Confident | 17.5 Ų | 17.5 | 34.1 Ų | 34.1 | 8% | 0.081 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 113 | 168 | -79.8 | -79.1 | 0 | 0 | 0 | 109.8 | S2172 C2173 L2218 S2354 I2355 E2356 | S2172-H2215 PolarHBondContact O-ND1 2.81Å; S2172-H2215 VanDerWaalsContact O-ND1 3.11Å; C2173-H2215 VanDerWaalsContact CB-CE1 3.46Å; C2173-H2215 WeakPolarHBondContact CB-CE1 2.85Å; C2173-H2215 PolarHBondContact SG-CE1 2.95Å; C2173-H2215 VanDerWaalsContact SG-CE1 3.54Å; C2173-H2215 PolarHBondContact SG-NE2 3.1Å; C2173-H2215 VanDerWaalsContact SG-NE2 3.4Å; H2215-L2218 HydrophobicContact CB-CD1 4.02Å; H2215-L2218 HydrophobicContact CB-CG 3.86Å; H2215-S2354 PolarHBondContact N-O 3.18Å; H2215-I2355 HydrophobicContact CB-CG1 4.36Å; H2215-I2355 HydrophobicContact CB-CG2 4.24Å; H2215-I2355 VanDerWaalsContact O-CA 3.3Å; H2215-I2355 WeakPolarHBondContact O-CA 3.24Å; H2215-E2356 PolarHBondContact O-N 3.1Å; H2215-E2356 VanDerWaalsContact O-N 3.1Å |
| 2216 | P | 89.2 | Confident | 84.7 | Confident | 27.5 Ų | 27.5 | 30.5 Ų | 30.5 | 18% | 0.179 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | -49.6 | 178.2 | -25.1 | 36.4 | 0 | 0 | 0 | 112.6 | S2172 E2356 E2357 | S2172-P2216 WeakPolarHBondContact OG-CD 3.34Å; S2172-P2216 WeakPolarHBondContact OG-CG 3.31Å; P2216-E2356 WeakPolarHBondContact CA-OE2 3.39Å; P2216-E2356 VanDerWaalsContact CB-OE2 3.3Å; P2216-E2356 WeakPolarHBondContact CB-OE2 3.35Å; P2216-E2356 WeakPolarHBondContact O-CB 3.4Å; P2216-E2357 PolarHBondContact O-N 2.81Å |
| 2217 | K | 90 | Very high | 86.3 | Confident | 90.5 Ų | 90.5 | 28.9 Ų | 28.9 | 39% | 0.393 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 135.9 | 178 | -168.1 | 178.3 | -176.9 | 119.1 | 0 | 111 | C2171 D2219 E2357 | C2171-K2217 WeakPolarHBondContact CB-O 3.09Å; K2217-D2219 VanDerWaalsContact CE-OD1 3.32Å; K2217-D2219 WeakPolarHBondContact CE-OD1 3.13Å; K2217-E2357 CarbonylContact C-O 3.56Å; K2217-E2357 WeakPolarHBondContact CA-O 3.32Å; K2217-E2357 HydrophobicContact CG-CB 4.44Å; K2217-E2357 IonicContact NZ-OE1 3.52Å; K2217-E2357 PolarHBondContact NZ-OE1 3.47Å; K2217-E2357 IonicContact NZ-OE2 3.37Å; K2217-E2357 PolarHBondContact NZ-OE2 3.43Å |
| 2218 | L | 90.3 | Very high | 87.7 | Confident | 14.5 Ų | 14.5 | 30.3 Ų | 30.3 | 8% | 0.076 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 106.3 | 179.8 | -124.4 | 127.7 | 0 | 0 | 0 | 111.2 | I2168 C2171 H2215 I2220 I2355 E2357 A2358 Q2359 | I2168-L2218 HydrophobicContact CD1-CD2 4.23Å; I2168-L2218 HydrophobicContact CG2-CD1 4.33Å; I2168-L2218 HydrophobicContact CG2-CD2 3.69Å; C2171-L2218 HydrophobicContact CB-CD2 4.45Å; H2215-L2218 HydrophobicContact CB-CD1 4.02Å; H2215-L2218 HydrophobicContact CB-CG 3.86Å; L2218-I2220 HydrophobicContact CB-CD1 4.37Å; L2218-I2220 HydrophobicContact CB-CG1 4.29Å; L2218-I2220 HydrophobicContact CD2-CD1 3.47Å; L2218-I2220 VanDerWaalsContact CD2-CD1 3.47Å; L2218-I2220 HydrophobicContact CD2-CG1 3.88Å; L2218-I2220 HydrophobicContact CG-CD1 4.2Å; L2218-I2220 HydrophobicContact CG-CG1 4.03Å; L2218-I2355 HydrophobicContact CB-CG2 4.41Å; L2218-I2355 HydrophobicContact CD1-CD1 3.99Å; L2218-I2355 HydrophobicContact CD1-CG1 4.28Å; L2218-I2355 HydrophobicContact CD1-CG2 3.96Å; L2218-E2357 PolarHBondContact N-O 3.11Å; L2218-A2358 HydrophobicContact CB-CB 4.13Å; L2218-A2358 CarbonylContact O-C 3.55Å; L2218-A2358 VanDerWaalsContact O-CA 3.29Å; L2218-A2358 WeakPolarHBondContact O-CA 3.42Å; L2218-Q2359 PolarHBondContact O-N 3.11Å |
| 2219 | D | 90 | Very high | 88.6 | Confident | 34 Ų | 34 | 30.4 Ų | 30.4 | 18% | 0.182 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 116.1 | 169.7 | -43.6 | -58.8 | 0 | 0 | 0 | 109.5 | I2168 S2169 K2217 Q2359 | I2168-D2219 VanDerWaalsContact CA-O 3.32Å; I2168-D2219 WeakPolarHBondContact CA-O 3.38Å; I2168-D2219 WeakPolarHBondContact CG2-O 3.49Å; S2169-D2219 PolarHBondContact N-O 3.45Å; S2169-D2219 VanDerWaalsContact N-O 3.17Å; S2169-D2219 WeakPolarHBondContact OG-CB 3.41Å; S2169-D2219 PolarHBondContact OG-OD2 3.22Å; K2217-D2219 VanDerWaalsContact CE-OD1 3.32Å; K2217-D2219 WeakPolarHBondContact CE-OD1 3.13Å; D2219-Q2359 CarbonylContact C-O 3.38Å; D2219-Q2359 WeakPolarHBondContact CA-O 3.3Å |
| 2220 | I | 90.9 | Very high | 89 | Confident | 32.5 Ų | 32.5 | 31.1 Ų | 31.1 | 17% | 0.167 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 128.9 | -173.6 | -54.1 | 173 | 0 | 0 | 0 | 109.3 | V2167 I2168 L2218 T2222 Q2359 W2360 C2361 | V2167-I2220 HydrophobicContact CG1-CG2 4.41Å; V2167-I2220 CarbonylContact O-C 3.57Å; V2167-I2220 WeakPolarHBondContact O-CA 3.3Å; I2168-I2220 HydrophobicContact CD1-CD1 4.47Å; I2168-I2220 HydrophobicContact CD1-CG1 4.19Å; I2168-I2220 HydrophobicContact CG1-CG1 4.15Å; I2168-I2220 HydrophobicContact CG1-CG2 4.38Å; L2218-I2220 HydrophobicContact CB-CD1 4.37Å; L2218-I2220 HydrophobicContact CB-CG1 4.29Å; L2218-I2220 HydrophobicContact CD2-CD1 3.47Å; L2218-I2220 VanDerWaalsContact CD2-CD1 3.47Å; L2218-I2220 HydrophobicContact CD2-CG1 3.88Å; L2218-I2220 HydrophobicContact CG-CD1 4.2Å; L2218-I2220 HydrophobicContact CG-CG1 4.03Å; I2220-T2222 HydrophobicContact CG2-CG2 3.79Å; I2220-Q2359 PolarHBondContact N-O 3.22Å; I2220-W2360 HydrophobicContact CB-CB 4.35Å; I2220-W2360 HydrophobicContact CB-CG 4.2Å; I2220-W2360 HydrophobicContact CD1-CG 4.5Å; I2220-W2360 VanDerWaalsContact CG2-CD1 3.42Å; I2220-W2360 HydrophobicContact CG2-CG 4.27Å; I2220-W2360 CarbonylContact O-C 3.53Å; I2220-W2360 WeakPolarHBondContact O-CA 3.36Å; I2220-C2361 PolarHBondContact O-N 3.13Å |
| 2221 | H | 88.7 | Confident | 88.9 | Confident | 42 Ų | 42 | 33.8 Ų | 33.8 | 19% | 0.194 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 111.5 | 173.2 | -76.9 | -121.2 | 0 | 0 | 0 | 109.2 | A2150 V2167 C2361 | A2150-H2221 HydrophobicContact CB-CB 4.15Å; A2150-H2221 VanDerWaalsContact CB-CD2 3.47Å; A2150-H2221 WeakPolarHBondContact CB-CD2 3.35Å; V2167-H2221 WeakPolarHBondContact CA-O 3.37Å; V2167-H2221 WeakPolarHBondContact CG1-O 3.46Å; V2167-H2221 PolarHBondContact O-N 3.25Å; H2221-C2361 WeakPolarHBondContact CA-O 3.37Å; H2221-C2361 PolarHBondContact CE1-SG 2.9Å; H2221-C2361 WeakPolarHBondContact ND1-CB 3.41Å; H2221-C2361 PolarHBondContact NE2-SG 3.3Å; H2221-C2361 VanDerWaalsContact NE2-SG 3.37Å |
| 2222 | T | 89.3 | Confident | 88.7 | Confident | 1.5 Ų | 1.5 | 32.3 Ų | 32.3 | 1% | 0.009 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 131.8 | -176.4 | 54.7 | 0 | 0 | 0 | 0 | 112.6 | V2167 I2220 I2230 W2360 C2361 T2363 | V2167-T2222 HydrophobicContact CG1-CG2 3.57Å; V2167-T2222 VanDerWaalsContact CG1-CG2 3.49Å; I2220-T2222 HydrophobicContact CG2-CG2 3.79Å; T2222-I2230 HydrophobicContact CG2-CD1 3.73Å; T2222-W2360 PolarHBondContact OG1-NE1 2.88Å; T2222-C2361 PolarHBondContact N-O 3.22Å; T2222-C2361 VanDerWaalsContact N-O 3.07Å; T2222-T2363 PolarHBondContact O-N 3.23Å; T2222-T2363 PolarHBondContact O-OG1 2.92Å |
| 2223 | S | 87.3 | Confident | 88.5 | Confident | 5.5 Ų | 5.5 | 32.6 Ų | 32.6 | 4% | 0.038 | 16% | 0.162 | C | C | . | . | trans | -75.8 | 169.9 | 158.5 | 77.9 | 0 | 0 | 0 | 0 | 111.4 | D2225 Q2226 Y2227 T2363 E2364 | S2223-D2225 PolarHBondContact O-N 3.24Å; S2223-Q2226 PolarHBondContact O-N 3.26Å; S2223-Q2226 VanDerWaalsContact OG-CG 3.28Å; S2223-Q2226 WeakPolarHBondContact OG-CG 3.38Å; S2223-Q2226 PolarHBondContact OG-N 2.97Å; S2223-Q2226 PolarHBondContact OG-OE1 3.04Å; S2223-Y2227 WeakPolarHBondContact O-CB 3.41Å; S2223-Y2227 PolarHBondContact O-N 3.23Å; S2223-T2363 WeakPolarHBondContact CA-OG1 3.35Å; S2223-T2363 PolarHBondContact N-OG1 2.96Å; S2223-E2364 WeakPolarHBondContact CB-O 3.39Å | ||
| 2224 | Y | 85.4 | Confident | 88.2 | Confident | 79.5 Ų | 79.5 | 32.4 Ų | 32.4 | 31% | 0.312 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -56.7 | -49 | 176.5 | 163.6 | -104.6 | 0 | 0 | 0 | 112.4 | Q2226 Y2227 S2228 F2487 P2490 | Y2224-Q2226 VanDerWaalsContact C-N 3.3Å; Y2224-Q2226 PolarHBondContact O-N 3.04Å; Y2224-Y2227 WeakPolarHBondContact O-CB 3.46Å; Y2224-Y2227 PolarHBondContact O-N 3.16Å; Y2224-S2228 PolarHBondContact O-N 2.92Å; Y2224-F2487 WeakPolarHBondContact CD2-O 3.33Å; Y2224-P2490 HydrophobicContact CD2-CG 4.41Å; Y2224-P2490 HydrophobicContact CE1-CG 4.41Å; Y2224-P2490 HydrophobicContact CE2-CB 4.4Å; Y2224-P2490 HydrophobicContact CE2-CG 3.47Å; Y2224-P2490 VanDerWaalsContact CE2-CG 3.47Å; Y2224-P2490 VanDerWaalsContact CZ-CG 3.47Å; Y2224-P2490 VanDerWaalsContact OH-CG 3.24Å; Y2224-P2490 WeakPolarHBondContact OH-CG 3.32Å |
| 2225 | D | 85.4 | Confident | 87.9 | Confident | 67.5 Ų | 67.5 | 34.9 Ų | 34.9 | 36% | 0.361 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -66.5 | -35.1 | -177.5 | -59.5 | -59.2 | 0 | 0 | 0 | 111.5 | S2223 S2228 M2229 | S2223-D2225 PolarHBondContact O-N 3.24Å; D2225-S2228 WeakPolarHBondContact O-CB 3.31Å; D2225-S2228 PolarHBondContact O-N 2.97Å; D2225-M2229 WeakPolarHBondContact O-CG 3.3Å; D2225-M2229 PolarHBondContact O-N 3.14Å |
| 2226 | Q | 87 | Confident | 87.5 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.1 | -43 | 174.2 | -68.3 | 167 | -10.1 | 0 | 0 | 112.2 | A2001 V2167 S2223 Y2224 S2228 M2229 I2230 | A2001-Q2226 HydrophobicContact CB-CG 3.98Å; V2167-Q2226 HydrophobicContact CG2-CG 4.42Å; S2223-Q2226 PolarHBondContact O-N 3.26Å; S2223-Q2226 VanDerWaalsContact OG-CG 3.28Å; S2223-Q2226 WeakPolarHBondContact OG-CG 3.38Å; S2223-Q2226 PolarHBondContact OG-N 2.97Å; S2223-Q2226 PolarHBondContact OG-OE1 3.04Å; Y2224-Q2226 VanDerWaalsContact C-N 3.3Å; Y2224-Q2226 PolarHBondContact O-N 3.04Å; Q2226-S2228 VanDerWaalsContact C-N 3.3Å; Q2226-S2228 PolarHBondContact O-N 3.03Å; Q2226-M2229 HydrophobicContact CB-CE 4.23Å; Q2226-M2229 HydrophobicContact CG-CE 3.97Å; Q2226-M2229 PolarHBondContact O-N 3.36Å; Q2226-I2230 WeakPolarHBondContact O-CD1 3.43Å; Q2226-I2230 VanDerWaalsContact O-CG1 3.26Å; Q2226-I2230 WeakPolarHBondContact O-CG1 3.34Å; Q2226-I2230 PolarHBondContact O-N 3.05Å |
| 2227 | Y | 88.6 | Confident | 87.2 | Confident | 52.5 Ų | 52.5 | 34.9 Ų | 34.9 | 21% | 0.206 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.3 | -41.3 | 173 | 173.4 | -107.2 | 0 | 0 | 0 | 111.6 | S2223 Y2224 I2230 L2231 W2360 F2487 F2488 | S2223-Y2227 WeakPolarHBondContact O-CB 3.41Å; S2223-Y2227 PolarHBondContact O-N 3.23Å; Y2224-Y2227 WeakPolarHBondContact O-CB 3.46Å; Y2224-Y2227 PolarHBondContact O-N 3.16Å; Y2227-I2230 PolarHBondContact O-N 3.27Å; Y2227-L2231 HydrophobicContact CD1-CD1 4.06Å; Y2227-L2231 HydrophobicContact CE1-CD1 3.44Å; Y2227-L2231 HydrophobicContact CE1-CG 4.26Å; Y2227-L2231 HydrophobicContact CE2-CD1 4.22Å; Y2227-L2231 HydrophobicContact CE2-CD2 4.45Å; Y2227-L2231 HydrophobicContact CE2-CG 4.22Å; Y2227-L2231 VanDerWaalsContact CZ-CD1 3.46Å; Y2227-L2231 WeakPolarHBondContact O-CG 3.34Å; Y2227-L2231 PolarHBondContact O-N 2.99Å; Y2227-W2360 HydrophobicContact CD2-CH2 4.08Å; Y2227-W2360 AromaticContact CD2-CZ2 3.73Å; Y2227-W2360 HydrophobicContact CD2-CZ2 3.73Å; Y2227-W2360 AromaticContact CE2-CH2 3.74Å; Y2227-W2360 HydrophobicContact CE2-CH2 3.74Å; Y2227-W2360 AromaticContact CE2-CZ2 3.9Å; Y2227-W2360 HydrophobicContact CE2-CZ2 3.9Å; Y2227-F2487 HydrophobicContact CD1-CE1 4.22Å; Y2227-F2487 HydrophobicContact CG-CE1 4.18Å; Y2227-F2488 AromaticContact CE1-CD1 3.88Å; Y2227-F2488 HydrophobicContact CE1-CD1 3.88Å; Y2227-F2488 HydrophobicContact CE1-CE1 4.24Å; Y2227-F2488 HydrophobicContact CE2-CE1 4.43Å; Y2227-F2488 AromaticContact CZ-CD1 3.96Å; Y2227-F2488 AromaticContact CZ-CE1 3.99Å |
| 2228 | S | 86.8 | Confident | 86.8 | Confident | 37.5 Ų | 37.5 | 35.6 Ų | 35.6 | 26% | 0.262 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.9 | -45 | 174.6 | -166.6 | 0 | 0 | 0 | 0 | 112.2 | Y2224 D2225 Q2226 I2230 L2231 D2232 | Y2224-S2228 PolarHBondContact O-N 2.92Å; D2225-S2228 WeakPolarHBondContact O-CB 3.31Å; D2225-S2228 PolarHBondContact O-N 2.97Å; Q2226-S2228 VanDerWaalsContact C-N 3.3Å; Q2226-S2228 PolarHBondContact O-N 3.03Å; S2228-I2230 VanDerWaalsContact C-N 3.34Å; S2228-I2230 PolarHBondContact O-N 3.25Å; S2228-L2231 PolarHBondContact O-N 3.09Å; S2228-D2232 PolarHBondContact O-N 3.23Å |
| 2229 | M | 87.5 | Confident | 86.2 | Confident | 5 Ų | 5 | 40.3 Ų | 40.3 | 3% | 0.025 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.8 | -41.8 | 173.6 | -77.3 | -172.9 | -72.3 | 0 | 0 | 112.4 | T1957 T1958 I1961 A2001 T2002 D2225 Q2226 D2232 V2233 | T1957-M2229 HydrophobicContact CG2-CG 4.19Å; T1958-M2229 VanDerWaalsContact O-SD 3.4Å; I1961-M2229 HydrophobicContact CD1-CB 4.37Å; I1961-M2229 HydrophobicContact CG1-CB 4.42Å; A2001-M2229 HydrophobicContact CB-CE 4.2Å; T2002-M2229 VanDerWaalsContact O-CE 3.3Å; T2002-M2229 WeakPolarHBondContact O-CE 3.47Å; D2225-M2229 WeakPolarHBondContact O-CG 3.3Å; D2225-M2229 PolarHBondContact O-N 3.14Å; Q2226-M2229 HydrophobicContact CB-CE 4.23Å; Q2226-M2229 HydrophobicContact CG-CE 3.97Å; Q2226-M2229 PolarHBondContact O-N 3.36Å; M2229-D2232 PolarHBondContact O-N 3.06Å; M2229-V2233 WeakPolarHBondContact O-CB 3.35Å; M2229-V2233 WeakPolarHBondContact O-CG2 3.34Å; M2229-V2233 PolarHBondContact O-N 3.1Å |
| 2230 | I | 89 | Confident | 85.8 | Confident | 51.5 Ų | 51.5 | 41.9 Ų | 41.9 | 26% | 0.264 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.9 | -44.8 | 176.4 | -68.6 | 161.9 | 0 | 0 | 0 | 110.1 | I1961 V2167 T2222 Q2226 Y2227 S2228 D2232 V2233 V2234 | I1961-I2230 HydrophobicContact CD1-CB 4.27Å; I1961-I2230 HydrophobicContact CD1-CG1 3.57Å; V2167-I2230 HydrophobicContact CG1-CD1 4.15Å; T2222-I2230 HydrophobicContact CG2-CD1 3.73Å; Q2226-I2230 WeakPolarHBondContact O-CD1 3.43Å; Q2226-I2230 VanDerWaalsContact O-CG1 3.26Å; Q2226-I2230 WeakPolarHBondContact O-CG1 3.34Å; Q2226-I2230 PolarHBondContact O-N 3.05Å; Y2227-I2230 PolarHBondContact O-N 3.27Å; S2228-I2230 VanDerWaalsContact C-N 3.34Å; S2228-I2230 PolarHBondContact O-N 3.25Å; I2230-D2232 PolarHBondContact O-N 2.78Å; I2230-V2233 PolarHBondContact O-N 3.32Å; I2230-V2234 HydrophobicContact CG2-CG2 4.17Å; I2230-V2234 WeakPolarHBondContact O-CB 3.39Å; I2230-V2234 VanDerWaalsContact O-CG2 3.24Å; I2230-V2234 WeakPolarHBondContact O-CG2 3.44Å; I2230-V2234 PolarHBondContact O-N 3.44Å |
| 2231 | L | 85.3 | Confident | 85 | Confident | 58.5 Ų | 58.5 | 45.1 Ų | 45.1 | 31% | 0.306 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.8 | -41.4 | 176.9 | -76 | 177.9 | 0 | 0 | 0 | 112.7 | Y2227 S2228 N2235 | Y2227-L2231 HydrophobicContact CD1-CD1 4.06Å; Y2227-L2231 HydrophobicContact CE1-CD1 3.44Å; Y2227-L2231 HydrophobicContact CE1-CG 4.26Å; Y2227-L2231 HydrophobicContact CE2-CD1 4.22Å; Y2227-L2231 HydrophobicContact CE2-CD2 4.45Å; Y2227-L2231 HydrophobicContact CE2-CG 4.22Å; Y2227-L2231 VanDerWaalsContact CZ-CD1 3.46Å; Y2227-L2231 WeakPolarHBondContact O-CG 3.34Å; Y2227-L2231 PolarHBondContact O-N 2.99Å; S2228-L2231 PolarHBondContact O-N 3.09Å; L2231-N2235 VanDerWaalsContact O-CB 3.31Å; L2231-N2235 WeakPolarHBondContact O-CB 3.29Å; L2231-N2235 VanDerWaalsContact O-CG 3.31Å; L2231-N2235 PolarHBondContact O-N 2.93Å; L2231-N2235 PolarHBondContact O-ND2 3.15Å |
| 2232 | D | 86.1 | Confident | 84.4 | Confident | 8 Ų | 8 | 44.7 Ų | 44.7 | 4% | 0.043 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.5 | -53.2 | 174.3 | 179.5 | 6.6 | 0 | 0 | 0 | 110.2 | G1954 C1955 D1956 T1957 S2228 M2229 I2230 V2234 N2235 N2236 | G1954-D2232 WeakPolarHBondContact CA-OD1 3.44Å; G1954-D2232 WeakPolarHBondContact CA-OD2 3.44Å; C1955-D2232 PolarHBondContact N-OD1 2.96Å; C1955-D2232 VanDerWaalsContact N-OD1 3.08Å; C1955-D2232 PolarHBondContact N-OD2 3.32Å; D1956-D2232 PolarHBondContact N-OD2 3.04Å; T1957-D2232 WeakPolarHBondContact CB-OD2 3.37Å; T1957-D2232 HydrophobicContact CG2-CB 3.99Å; T1957-D2232 PolarHBondContact N-OD2 2.93Å; T1957-D2232 PolarHBondContact OG1-OD2 3.04Å; S2228-D2232 PolarHBondContact O-N 3.23Å; M2229-D2232 PolarHBondContact O-N 3.06Å; I2230-D2232 PolarHBondContact O-N 2.78Å; D2232-V2234 PolarHBondContact O-N 3.11Å; D2232-N2235 PolarHBondContact O-N 2.98Å; D2232-N2236 WeakPolarHBondContact O-CA 3.37Å; D2232-N2236 VanDerWaalsContact O-CB 3.26Å; D2232-N2236 WeakPolarHBondContact O-CB 3.26Å; D2232-N2236 PolarHBondContact O-N 3.24Å; D2232-N2236 PolarHBondContact OD1-ND2 2.89Å |
| 2233 | V | 87.5 | Confident | 83.7 | Confident | 5.5 Ų | 5.5 | 47.7 Ų | 47.7 | 3% | 0.033 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.2 | -45.9 | 178 | 166 | 0 | 0 | 0 | 0 | 112.2 | L1952 I1961 M2229 I2230 L2237 I2238 | L1952-V2233 HydrophobicContact CB-CG1 3.86Å; L1952-V2233 HydrophobicContact CB-CG2 4.18Å; L1952-V2233 HydrophobicContact CD1-CG1 3.68Å; L1952-V2233 HydrophobicContact CG-CG1 4.39Å; I1961-V2233 HydrophobicContact CD1-CB 4.27Å; I1961-V2233 HydrophobicContact CD1-CG2 4.02Å; I1961-V2233 HydrophobicContact CG1-CG2 4.47Å; M2229-V2233 WeakPolarHBondContact O-CB 3.35Å; M2229-V2233 WeakPolarHBondContact O-CG2 3.34Å; M2229-V2233 PolarHBondContact O-N 3.1Å; I2230-V2233 PolarHBondContact O-N 3.32Å; V2233-L2237 HydrophobicContact CB-CD1 4.42Å; V2233-L2237 HydrophobicContact CG1-CD1 4.24Å; V2233-L2237 HydrophobicContact CG2-CD1 4.17Å; V2233-L2237 WeakPolarHBondContact O-CA 3.38Å; V2233-L2237 VanDerWaalsContact O-CB 3.29Å; V2233-L2237 WeakPolarHBondContact O-CB 3.4Å; V2233-L2237 PolarHBondContact O-N 3.46Å; V2233-I2238 HydrophobicContact CG1-CD1 4.12Å; V2233-I2238 HydrophobicContact CG1-CG1 4.43Å; V2233-I2238 PolarHBondContact O-N 3.12Å; V2233-I2238 VanDerWaalsContact O-N 3.1Å |
| 2234 | V | 86.3 | Confident | 83 | Confident | 48 Ų | 48 | 52 Ų | 52 | 29% | 0.291 | 27% | 0.273 | S | S | . | . | I | π-helix | trans | -65.4 | -46.3 | -179.2 | 169.7 | 0 | 0 | 0 | 0 | 111.4 | I2230 D2232 I2238 L2239 | I2230-V2234 HydrophobicContact CG2-CG2 4.17Å; I2230-V2234 WeakPolarHBondContact O-CB 3.39Å; I2230-V2234 VanDerWaalsContact O-CG2 3.24Å; I2230-V2234 WeakPolarHBondContact O-CG2 3.44Å; I2230-V2234 PolarHBondContact O-N 3.44Å; D2232-V2234 PolarHBondContact O-N 3.11Å; V2234-I2238 HydrophobicContact CG2-CD1 4.36Å; V2234-I2238 PolarHBondContact O-N 3.31Å; V2234-L2239 HydrophobicContact CG1-CD1 3.74Å; V2234-L2239 HydrophobicContact CG1-CG 4.15Å; V2234-L2239 WeakPolarHBondContact O-CB 3.45Å; V2234-L2239 WeakPolarHBondContact O-CG 3.34Å; V2234-L2239 PolarHBondContact O-N 2.82Å |
| 2235 | N | 83.9 | Confident | 82.3 | Confident | 53 Ų | 53 | 52 Ų | 52 | 28% | 0.283 | 28% | 0.275 | S | S | . | . | I | π-helix | trans | -77.9 | -41.7 | -176.7 | -70 | -63.9 | 0 | 0 | 0 | 113 | L2231 D2232 Q2538 | L2231-N2235 VanDerWaalsContact O-CB 3.31Å; L2231-N2235 WeakPolarHBondContact O-CB 3.29Å; L2231-N2235 VanDerWaalsContact O-CG 3.31Å; L2231-N2235 PolarHBondContact O-N 2.93Å; L2231-N2235 PolarHBondContact O-ND2 3.15Å; D2232-N2235 PolarHBondContact O-N 2.98Å; N2235-Q2538 PolarHBondContact ND2-NE2 3.5Å |
| 2236 | N | 83.7 | Confident | 81.6 | Confident | 38 Ų | 38 | 52.8 Ų | 52.8 | 20% | 0.203 | 28% | 0.275 | C | S | . | . | I | π-helix | trans | -96 | -18.4 | -171.5 | -65.4 | -37.4 | 0 | 0 | 0 | 113.5 | R1813 C1955 D1956 D2232 Y2240 | R1813-N2236 PolarHBondContact NH1-O 2.82Å; C1955-N2236 PolarHBondContact SG-ND2 2.92Å; D1956-N2236 PolarHBondContact OD2-ND2 3.16Å; D2232-N2236 WeakPolarHBondContact O-CA 3.37Å; D2232-N2236 VanDerWaalsContact O-CB 3.26Å; D2232-N2236 WeakPolarHBondContact O-CB 3.26Å; D2232-N2236 PolarHBondContact O-N 3.24Å; D2232-N2236 PolarHBondContact OD1-ND2 2.89Å; N2236-Y2240 VanDerWaalsContact O-CB 3.31Å; N2236-Y2240 WeakPolarHBondContact O-CB 3.43Å; N2236-Y2240 WeakPolarHBondContact O-CD2 3.45Å |
| 2237 | L | 82.8 | Confident | 80.7 | Confident | 7.5 Ų | 7.5 | 58.6 Ų | 58.6 | 4% | 0.039 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -112.8 | -48.8 | 175.5 | -59.9 | 176.1 | 0 | 0 | 0 | 113.8 | T1810 L1952 K1953 V2233 | T1810-L2237 HydrophobicContact CG2-CD2 3.92Å; L1952-L2237 HydrophobicContact CB-CD1 4.26Å; K1953-L2237 WeakPolarHBondContact O-CD1 3.46Å; V2233-L2237 HydrophobicContact CB-CD1 4.42Å; V2233-L2237 HydrophobicContact CG1-CD1 4.24Å; V2233-L2237 HydrophobicContact CG2-CD1 4.17Å; V2233-L2237 WeakPolarHBondContact O-CA 3.38Å; V2233-L2237 VanDerWaalsContact O-CB 3.29Å; V2233-L2237 WeakPolarHBondContact O-CB 3.4Å; V2233-L2237 PolarHBondContact O-N 3.46Å |
| 2238 | I | 80.6 | Confident | 79.5 | Confident | 105 Ų | 105 | 57.4 Ų | 57.4 | 54% | 0.538 | 30% | 0.3 | S | S | . | . | I | π-helix | trans | -84.6 | -53.4 | -169.7 | -59.7 | 174.8 | 0 | 0 | 0 | 111.6 | L1952 V2233 V2234 Y2240 | L1952-I2238 HydrophobicContact CD1-CD1 4.49Å; V2233-I2238 HydrophobicContact CG1-CD1 4.12Å; V2233-I2238 HydrophobicContact CG1-CG1 4.43Å; V2233-I2238 PolarHBondContact O-N 3.12Å; V2233-I2238 VanDerWaalsContact O-N 3.1Å; V2234-I2238 HydrophobicContact CG2-CD1 4.36Å; V2234-I2238 PolarHBondContact O-N 3.31Å; I2238-Y2240 PolarHBondContact O-N 3.35Å |
| 2239 | L | 78.4 | Confident | 78.5 | Confident | 113 Ų | 113 | 57.9 Ų | 57.9 | 59% | 0.592 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -90.2 | 15.6 | 179.1 | -57.8 | 178.7 | 0 | 0 | 0 | 112.5 | V2234 V2241 | V2234-L2239 HydrophobicContact CG1-CD1 3.74Å; V2234-L2239 HydrophobicContact CG1-CG 4.15Å; V2234-L2239 WeakPolarHBondContact O-CB 3.45Å; V2234-L2239 WeakPolarHBondContact O-CG 3.34Å; V2234-L2239 PolarHBondContact O-N 2.82Å; L2239-V2241 PolarHBondContact O-N 3.26Å |
| 2240 | Y | 80.7 | Confident | 77.5 | Confident | 67.5 Ų | 67.5 | 60.5 Ų | 60.5 | 27% | 0.265 | 32% | 0.318 | S | S | . | . | trans | -67.2 | 122.9 | -178.9 | -179.7 | -98.1 | 0 | 0 | 0 | 111.4 | L1817 N2236 I2238 D2242 P2243 | L1817-Y2240 HydrophobicContact CD1-CD1 4.18Å; L1817-Y2240 HydrophobicContact CD1-CE1 4.3Å; N2236-Y2240 VanDerWaalsContact O-CB 3.31Å; N2236-Y2240 WeakPolarHBondContact O-CB 3.43Å; N2236-Y2240 WeakPolarHBondContact O-CD2 3.45Å; I2238-Y2240 PolarHBondContact O-N 3.35Å; Y2240-D2242 HydrophobicContact CE1-CB 4.21Å; Y2240-P2243 VanDerWaalsContact OH-CD 3.31Å; Y2240-P2243 WeakPolarHBondContact OH-CD 3.35Å | ||
| 2241 | V | 74.2 | Confident | 76.5 | Confident | 100.5 Ų | 100.5 | 61.6 Ų | 61.6 | 61% | 0.609 | 33% | 0.325 | S | S | * | . | trans | -109.3 | 120.3 | 170.3 | -178.4 | 0 | 0 | 0 | 0 | 108.1 | L2239 K2246 | L2239-V2241 PolarHBondContact O-N 3.26Å; V2241-K2246 HydrophobicContact CG1-CB 4.49Å | ||
| 2242 | D | 75.8 | Confident | 75.5 | Confident | 33 Ų | 33 | 61.7 Ų | 61.7 | 18% | 0.176 | 33% | 0.325 | C | S | . | . | trans | -53.9 | 124.9 | 177.1 | 174 | 5 | 0 | 0 | 0 | 110.2 | Y2240 N2244 K2245 K2246 | Y2240-D2242 HydrophobicContact CE1-CB 4.21Å; D2242-N2244 PolarHBondContact O-N 3.12Å; D2242-N2244 VanDerWaalsContact O-N 3.12Å; D2242-N2244 WeakPolarHBondContact OD1-CB 3.37Å; D2242-N2244 PolarHBondContact OD1-N 3.17Å; D2242-N2244 PolarHBondContact OD1-ND2 2.87Å; D2242-N2244 WeakPolarHBondContact OD2-CB 3.47Å; D2242-K2245 HydrophobicContact CB-CB 4.19Å; D2242-K2245 HydrophobicContact CB-CD 4.42Å; D2242-K2245 HydrophobicContact CB-CG 4.14Å; D2242-K2245 WeakPolarHBondContact O-CB 3.32Å; D2242-K2245 PolarHBondContact O-N 2.99Å; D2242-K2245 VanDerWaalsContact O-N 3.1Å; D2242-K2245 PolarHBondContact OD2-N 3.36Å; D2242-K2245 VanDerWaalsContact OD2-N 3.07Å; D2242-K2246 PolarHBondContact O-N 3.2Å | ||
| 2243 | P | 75.2 | Confident | 74.5 | Confident | 64.5 Ų | 64.5 | 65.3 Ų | 65.3 | 42% | 0.419 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59 | -25.2 | 178.1 | 25.1 | -35.8 | 0 | 0 | 0 | 112.9 | Y2240 K2246 K2247 | Y2240-P2243 VanDerWaalsContact OH-CD 3.31Å; Y2240-P2243 WeakPolarHBondContact OH-CD 3.35Å; P2243-K2246 PolarHBondContact O-N 2.69Å; P2243-K2247 WeakPolarHBondContact O-CB 3.45Å; P2243-K2247 WeakPolarHBondContact O-CG 3.33Å; P2243-K2247 PolarHBondContact O-N 3.04Å |
| 2244 | N | 71.8 | Confident | 73.5 | Confident | 95 Ų | 95 | 69.6 Ų | 69.6 | 51% | 0.508 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -72.9 | -45.1 | 173.6 | -57.8 | -45.5 | 0 | 0 | 0 | 111 | D2242 K2246 K2247 S2248 | D2242-N2244 PolarHBondContact O-N 3.12Å; D2242-N2244 VanDerWaalsContact O-N 3.12Å; D2242-N2244 WeakPolarHBondContact OD1-CB 3.37Å; D2242-N2244 PolarHBondContact OD1-N 3.17Å; D2242-N2244 PolarHBondContact OD1-ND2 2.87Å; D2242-N2244 WeakPolarHBondContact OD2-CB 3.47Å; N2244-K2246 VanDerWaalsContact C-N 3.29Å; N2244-K2246 PolarHBondContact O-N 3.06Å; N2244-K2247 PolarHBondContact O-N 2.94Å; N2244-K2247 VanDerWaalsContact O-N 3.13Å; N2244-S2248 WeakPolarHBondContact O-CB 3.48Å; N2244-S2248 PolarHBondContact O-N 3.28Å; N2244-S2248 PolarHBondContact O-OG 3.36Å |
| 2245 | K | 71.8 | Confident | 72.5 | Confident | 79.5 Ų | 79.5 | 68.3 Ų | 68.3 | 35% | 0.346 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -57.5 | -39.2 | 169.7 | -72.9 | -163.6 | -178.1 | -169.1 | 0 | 112.5 | D1821 E1824 D2242 S2248 A2249 | D1821-K2245 WeakPolarHBondContact OD1-CE 3.32Å; D1821-K2245 IonicContact OD1-NZ 3.46Å; D1821-K2245 PolarHBondContact OD1-NZ 3.11Å; D1821-K2245 WeakPolarHBondContact OD2-CE 3.3Å; D1821-K2245 IonicContact OD2-NZ 3.25Å; D1821-K2245 PolarHBondContact OD2-NZ 3.1Å; E1824-K2245 IonicContact OE2-NZ 3.62Å; D2242-K2245 HydrophobicContact CB-CB 4.19Å; D2242-K2245 HydrophobicContact CB-CD 4.42Å; D2242-K2245 HydrophobicContact CB-CG 4.14Å; D2242-K2245 WeakPolarHBondContact O-CB 3.32Å; D2242-K2245 PolarHBondContact O-N 2.99Å; D2242-K2245 VanDerWaalsContact O-N 3.1Å; D2242-K2245 PolarHBondContact OD2-N 3.36Å; D2242-K2245 VanDerWaalsContact OD2-N 3.07Å; K2245-S2248 PolarHBondContact O-N 2.94Å; K2245-A2249 VanDerWaalsContact O-CB 3.29Å; K2245-A2249 WeakPolarHBondContact O-CB 3.38Å; K2245-A2249 PolarHBondContact O-N 2.83Å |
| 2246 | K | 70 | Confident | 71.6 | Confident | 85.5 Ų | 85.5 | 68.6 Ų | 68.6 | 37% | 0.372 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 175.4 | -175.1 | 171.2 | 179.2 | 152.6 | 0 | 112.3 | V2241 D2242 P2243 N2244 A2249 E2250 | V2241-K2246 HydrophobicContact CG1-CB 4.49Å; D2242-K2246 PolarHBondContact O-N 3.2Å; P2243-K2246 PolarHBondContact O-N 2.69Å; N2244-K2246 VanDerWaalsContact C-N 3.29Å; N2244-K2246 PolarHBondContact O-N 3.06Å; K2246-A2249 PolarHBondContact O-N 3.13Å; K2246-E2250 WeakPolarHBondContact CE-OE1 3.3Å; K2246-E2250 WeakPolarHBondContact O-CB 3.16Å; K2246-E2250 VanDerWaalsContact O-CG 3.29Å; K2246-E2250 WeakPolarHBondContact O-CG 3.49Å; K2246-E2250 PolarHBondContact O-N 2.83Å |
| 2247 | K | 68.4 | Low | 70.7 | Confident | 123 Ų | 123 | 70.7 Ų | 70.7 | 54% | 0.535 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63 | -42.4 | 173.9 | -74.7 | 169.8 | -172.7 | 168.8 | 0 | 112.1 | P2243 N2244 E2250 N2251 | P2243-K2247 WeakPolarHBondContact O-CB 3.45Å; P2243-K2247 WeakPolarHBondContact O-CG 3.33Å; P2243-K2247 PolarHBondContact O-N 3.04Å; N2244-K2247 PolarHBondContact O-N 2.94Å; N2244-K2247 VanDerWaalsContact O-N 3.13Å; K2247-E2250 PolarHBondContact O-N 2.99Å; K2247-N2251 WeakPolarHBondContact O-CB 3.48Å; K2247-N2251 VanDerWaalsContact O-CG 3.27Å; K2247-N2251 PolarHBondContact O-N 3.07Å; K2247-N2251 PolarHBondContact O-ND2 3.16Å |
| 2248 | S | 64.1 | Low | 70 | Confident | 27 Ų | 27 | 75.6 Ų | 75.6 | 19% | 0.189 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -56.5 | -56.3 | 171.6 | -80.8 | 0 | 0 | 0 | 0 | 109 | N2244 K2245 E2250 N2251 L2252 E2328 | N2244-S2248 WeakPolarHBondContact O-CB 3.48Å; N2244-S2248 PolarHBondContact O-N 3.28Å; N2244-S2248 PolarHBondContact O-OG 3.36Å; K2245-S2248 PolarHBondContact O-N 2.94Å; S2248-E2250 VanDerWaalsContact C-N 3.27Å; S2248-E2250 PolarHBondContact O-N 3.11Å; S2248-N2251 CarbonylContact O-C 3.58Å; S2248-N2251 WeakPolarHBondContact O-CA 3.4Å; S2248-N2251 WeakPolarHBondContact O-CB 3.4Å; S2248-N2251 PolarHBondContact O-N 3.2Å; S2248-L2252 VanDerWaalsContact O-CG 3.28Å; S2248-L2252 WeakPolarHBondContact O-CG 3.47Å; S2248-L2252 PolarHBondContact O-N 3.2Å; S2248-E2328 WeakPolarHBondContact CB-OE2 3.34Å; S2248-E2328 PolarHBondContact OG-OE2 3.37Å |
| 2249 | A | 65.8 | Low | 69.3 | Low | 46.5 Ų | 46.5 | 70.9 Ų | 70.9 | 38% | 0.384 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -54 | -43 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | K2245 K2246 N2251 L2252 L2253 | K2245-A2249 VanDerWaalsContact O-CB 3.29Å; K2245-A2249 WeakPolarHBondContact O-CB 3.38Å; K2245-A2249 PolarHBondContact O-N 2.83Å; K2246-A2249 PolarHBondContact O-N 3.13Å; A2249-N2251 VanDerWaalsContact C-N 3.27Å; A2249-N2251 PolarHBondContact O-N 3.44Å; A2249-L2252 WeakPolarHBondContact O-CB 3.36Å; A2249-L2252 PolarHBondContact O-N 3.27Å; A2249-L2253 WeakPolarHBondContact O-CG 3.32Å; A2249-L2253 PolarHBondContact O-N 3.4Å |
| 2250 | E | 65.8 | Low | 68.6 | Low | 59.5 Ų | 59.5 | 69.8 Ų | 69.8 | 28% | 0.278 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.4 | -38.7 | 173.6 | -75.9 | -176.9 | -151.2 | 0 | 0 | 112.5 | K2246 K2247 S2248 L2252 L2253 K2254 M2569 | K2246-E2250 WeakPolarHBondContact CE-OE1 3.3Å; K2246-E2250 WeakPolarHBondContact O-CB 3.16Å; K2246-E2250 VanDerWaalsContact O-CG 3.29Å; K2246-E2250 WeakPolarHBondContact O-CG 3.49Å; K2246-E2250 PolarHBondContact O-N 2.83Å; K2247-E2250 PolarHBondContact O-N 2.99Å; S2248-E2250 VanDerWaalsContact C-N 3.27Å; S2248-E2250 PolarHBondContact O-N 3.11Å; E2250-L2252 VanDerWaalsContact C-N 3.31Å; E2250-L2252 PolarHBondContact O-N 2.62Å; E2250-L2253 WeakPolarHBondContact O-CB 3.16Å; E2250-L2253 PolarHBondContact O-N 3.38Å; E2250-K2254 VanDerWaalsContact O-CG 3.26Å; E2250-K2254 WeakPolarHBondContact O-CG 3.35Å; E2250-K2254 PolarHBondContact O-N 2.91Å; E2250-M2569 HydrophobicContact CG-CE 3.95Å |
| 2251 | N | 67.5 | Low | 67.9 | Low | 76 Ų | 76 | 72.8 Ų | 72.8 | 41% | 0.406 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -69.4 | -37.6 | 173.2 | -70.7 | -20.9 | 0 | 0 | 0 | 112 | K2247 S2248 A2249 L2253 K2254 F2255 | K2247-N2251 WeakPolarHBondContact O-CB 3.48Å; K2247-N2251 VanDerWaalsContact O-CG 3.27Å; K2247-N2251 PolarHBondContact O-N 3.07Å; K2247-N2251 PolarHBondContact O-ND2 3.16Å; S2248-N2251 CarbonylContact O-C 3.58Å; S2248-N2251 WeakPolarHBondContact O-CA 3.4Å; S2248-N2251 WeakPolarHBondContact O-CB 3.4Å; S2248-N2251 PolarHBondContact O-N 3.2Å; A2249-N2251 VanDerWaalsContact C-N 3.27Å; A2249-N2251 PolarHBondContact O-N 3.44Å; N2251-L2253 VanDerWaalsContact C-N 3.32Å; N2251-L2253 PolarHBondContact O-N 3.03Å; N2251-K2254 WeakPolarHBondContact O-CB 3.39Å; N2251-K2254 PolarHBondContact O-N 2.89Å; N2251-K2254 VanDerWaalsContact O-N 3.13Å; N2251-K2254 PolarHBondContact OD1-NZ 2.9Å; N2251-F2255 WeakPolarHBondContact O-CB 3.41Å; N2251-F2255 PolarHBondContact O-N 3.07Å |
| 2252 | L | 65.4 | Low | 67.7 | Low | 61 Ų | 61 | 71.5 Ų | 71.5 | 32% | 0.319 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.8 | -43 | 174.5 | -59.2 | -175.8 | 0 | 0 | 0 | 110.1 | S2248 A2249 E2250 F2255 R2256 E2328 I2332 | S2248-L2252 VanDerWaalsContact O-CG 3.28Å; S2248-L2252 WeakPolarHBondContact O-CG 3.47Å; S2248-L2252 PolarHBondContact O-N 3.2Å; A2249-L2252 WeakPolarHBondContact O-CB 3.36Å; A2249-L2252 PolarHBondContact O-N 3.27Å; E2250-L2252 VanDerWaalsContact C-N 3.31Å; E2250-L2252 PolarHBondContact O-N 2.62Å; L2252-F2255 PolarHBondContact O-N 2.97Å; L2252-R2256 WeakPolarHBondContact O-CB 3.38Å; L2252-R2256 PolarHBondContact O-N 3.15Å; L2252-E2328 HydrophobicContact CD2-CB 3.9Å; L2252-E2328 HydrophobicContact CD2-CG 4.37Å; L2252-I2332 HydrophobicContact CB-CD1 3.73Å; L2252-I2332 HydrophobicContact CB-CG1 4.45Å; L2252-I2332 HydrophobicContact CD2-CD1 3.41Å; L2252-I2332 HydrophobicContact CD2-CG1 4.03Å; L2252-I2332 HydrophobicContact CG-CD1 4.06Å |
| 2253 | L | 64 | Low | 67.4 | Low | 82.5 Ų | 82.5 | 72.9 Ų | 72.9 | 43% | 0.432 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 174.6 | -69.7 | 170.2 | 0 | 0 | 0 | 112 | A2249 E2250 N2251 F2255 R2256 F2257 D2389 | A2249-L2253 WeakPolarHBondContact O-CG 3.32Å; A2249-L2253 PolarHBondContact O-N 3.4Å; E2250-L2253 WeakPolarHBondContact O-CB 3.16Å; E2250-L2253 PolarHBondContact O-N 3.38Å; N2251-L2253 VanDerWaalsContact C-N 3.32Å; N2251-L2253 PolarHBondContact O-N 3.03Å; L2253-F2255 VanDerWaalsContact C-N 3.31Å; L2253-F2255 PolarHBondContact O-N 3.08Å; L2253-R2256 PolarHBondContact O-N 2.82Å; L2253-F2257 HydrophobicContact CB-CE2 4.49Å; L2253-F2257 WeakPolarHBondContact O-CB 3.38Å; L2253-F2257 WeakPolarHBondContact O-CD2 3.2Å; L2253-F2257 PolarHBondContact O-N 2.88Å; L2253-D2389 VanDerWaalsContact CD1-OD2 3.25Å; L2253-D2389 WeakPolarHBondContact CD1-OD2 3.15Å; L2253-D2389 WeakPolarHBondContact CD2-OD2 3.45Å |
| 2254 | K | 66.5 | Low | 66.9 | Low | 96 Ų | 96 | 73.9 Ų | 73.9 | 42% | 0.417 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.1 | -43.8 | 174.3 | -60.3 | -178.8 | 177.8 | -175.1 | 0 | 111.5 | E2250 N2251 F2257 K2258 D2562 K2565 | E2250-K2254 VanDerWaalsContact O-CG 3.26Å; E2250-K2254 WeakPolarHBondContact O-CG 3.35Å; E2250-K2254 PolarHBondContact O-N 2.91Å; N2251-K2254 WeakPolarHBondContact O-CB 3.39Å; N2251-K2254 PolarHBondContact O-N 2.89Å; N2251-K2254 VanDerWaalsContact O-N 3.13Å; N2251-K2254 PolarHBondContact OD1-NZ 2.9Å; K2254-F2257 PolarHBondContact O-N 2.78Å; K2254-K2258 PolarHBondContact O-N 2.94Å; K2254-K2258 VanDerWaalsContact O-N 3.11Å; K2254-D2562 IonicContact NZ-OD1 3.67Å; K2254-D2562 PolarHBondContact NZ-OD1 2.74Å; K2254-D2562 IonicContact NZ-OD2 2.67Å; K2254-K2565 HydrophobicContact CD-CD 4.38Å; K2254-K2565 HydrophobicContact CG-CD 4.14Å; K2254-K2565 VanDerWaalsContact CG-CE 3.42Å |
| 2255 | F | 66.2 | Low | 66.8 | Low | 20.5 Ų | 20.5 | 75.5 Ų | 75.5 | 9% | 0.09 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -68.5 | -45.9 | -179.2 | -169.5 | -93.3 | 0 | 0 | 0 | 110.6 | N2251 L2252 L2253 F2257 K2258 M2259 Y2270 D2329 I2332 | N2251-F2255 WeakPolarHBondContact O-CB 3.41Å; N2251-F2255 PolarHBondContact O-N 3.07Å; L2252-F2255 PolarHBondContact O-N 2.97Å; L2253-F2255 VanDerWaalsContact C-N 3.31Å; L2253-F2255 PolarHBondContact O-N 3.08Å; F2255-F2257 VanDerWaalsContact C-N 3.33Å; F2255-F2257 PolarHBondContact O-N 3.25Å; F2255-K2258 CarbonylContact O-C 3.46Å; F2255-K2258 WeakPolarHBondContact O-CA 3.25Å; F2255-K2258 VanDerWaalsContact O-CB 3.3Å; F2255-K2258 WeakPolarHBondContact O-CB 3.43Å; F2255-K2258 PolarHBondContact O-N 2.93Å; F2255-M2259 HydrophobicContact CD1-CG 3.62Å; F2255-M2259 HydrophobicContact CD1-SD 4.2Å; F2255-M2259 HydrophobicContact CE1-CE 4.26Å; F2255-M2259 HydrophobicContact CE1-CG 3.5Å; F2255-M2259 VanDerWaalsContact CE1-CG 3.43Å; F2255-M2259 HydrophobicContact CE1-SD 3.58Å; F2255-M2259 WeakPolarHBondContact CE1-SD 3.42Å; F2255-M2259 HydrophobicContact CE2-SD 4.34Å; F2255-M2259 HydrophobicContact CG-CG 4.45Å; F2255-M2259 HydrophobicContact CZ-CG 4.24Å; F2255-M2259 HydrophobicContact CZ-SD 3.75Å; F2255-M2259 VanDerWaalsContact O-CG 3.29Å; F2255-M2259 WeakPolarHBondContact O-CG 3.26Å; F2255-M2259 PolarHBondContact O-N 3.29Å; F2255-Y2270 AromaticContact CZ-CE1 3.84Å; F2255-Y2270 HydrophobicContact CZ-CE1 3.84Å; F2255-Y2270 WeakPolarHBondContact CZ-OH 3.43Å; F2255-D2329 HydrophobicContact CD2-CB 4.34Å; F2255-D2329 VanDerWaalsContact CD2-OD1 3.3Å; F2255-D2329 WeakPolarHBondContact CD2-OD1 3.34Å; F2255-D2329 HydrophobicContact CE1-CB 4.18Å; F2255-D2329 VanDerWaalsContact CE1-O 3.3Å; F2255-D2329 WeakPolarHBondContact CE1-O 3.26Å; F2255-D2329 HydrophobicContact CE2-CB 3.91Å; F2255-D2329 WeakPolarHBondContact CE2-OD1 3.48Å; F2255-D2329 HydrophobicContact CZ-CB 3.68Å; F2255-I2332 HydrophobicContact CB-CD1 3.96Å; F2255-I2332 HydrophobicContact CD1-CB 3.97Å; F2255-I2332 HydrophobicContact CD1-CD1 3.65Å; F2255-I2332 HydrophobicContact CD1-CG1 4.35Å; F2255-I2332 HydrophobicContact CD1-CG2 3.96Å; F2255-I2332 HydrophobicContact CE1-CB 4.25Å; F2255-I2332 HydrophobicContact CE1-CD1 4.33Å; F2255-I2332 HydrophobicContact CE1-CG2 4.38Å; F2255-I2332 HydrophobicContact CG-CD1 4.13Å |
| 2256 | R | 65.5 | Low | 66.9 | Low | 59.5 Ų | 59.5 | 75.9 Ų | 75.9 | 23% | 0.225 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -52.6 | -48.3 | 173 | -169.6 | 178.6 | -167.9 | -168.4 | 0 | 112 | L2252 L2253 K2258 M2259 Q2260 I2332 E2336 D2389 | L2252-R2256 WeakPolarHBondContact O-CB 3.38Å; L2252-R2256 PolarHBondContact O-N 3.15Å; L2253-R2256 PolarHBondContact O-N 2.82Å; R2256-K2258 VanDerWaalsContact C-N 3.3Å; R2256-K2258 PolarHBondContact O-N 3.2Å; R2256-M2259 PolarHBondContact O-N 3.17Å; R2256-M2259 VanDerWaalsContact O-N 3.09Å; R2256-Q2260 WeakPolarHBondContact O-CG 3.37Å; R2256-Q2260 PolarHBondContact O-N 3.17Å; R2256-I2332 HydrophobicContact CB-CG2 4.21Å; R2256-I2332 HydrophobicContact CG-CG2 4.47Å; R2256-E2336 WeakPolarHBondContact CD-OE1 3.23Å; R2256-E2336 HydrophobicContact CG-CG 4.13Å; R2256-E2336 WeakPolarHBondContact CG-OE1 3.38Å; R2256-E2336 VanDerWaalsContact CG-OE2 3.26Å; R2256-E2336 WeakPolarHBondContact CG-OE2 3.29Å; R2256-E2336 IonicContact CZ-OE1 3.23Å; R2256-E2336 VanDerWaalsContact CZ-OE1 3.24Å; R2256-E2336 IonicContact CZ-OE2 2.73Å; R2256-E2336 IonicContact NE-OE1 2.85Å; R2256-E2336 PolarHBondContact NE-OE1 2.89Å; R2256-E2336 IonicContact NE-OE2 2.75Å; R2256-E2336 PolarHBondContact NE-OE2 2.88Å; R2256-E2336 VanDerWaalsContact NE-OE2 3.11Å; R2256-E2336 IonicContact NH2-OE1 3.95Å; R2256-E2336 PolarHBondContact NH2-OE1 3.49Å; R2256-E2336 IonicContact NH2-OE2 3.14Å; R2256-D2389 IonicContact CZ-OD2 3.97Å; R2256-D2389 IonicContact NH1-OD1 2.66Å; R2256-D2389 IonicContact NH1-OD2 3.81Å; R2256-D2389 PolarHBondContact NH1-OD2 2.79Å; R2256-D2389 IonicContact NH2-OD2 2.91Å; R2256-D2389 PolarHBondContact NH2-OD2 2.77Å |
| 2257 | F | 63.9 | Low | 67.1 | Low | 81.5 Ų | 81.5 | 72 Ų | 72 | 36% | 0.357 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.9 | -38.8 | 174.9 | -126.8 | -81.6 | 0 | 0 | 0 | 112.8 | L2253 K2254 F2255 L2261 | L2253-F2257 HydrophobicContact CB-CE2 4.49Å; L2253-F2257 WeakPolarHBondContact O-CB 3.38Å; L2253-F2257 WeakPolarHBondContact O-CD2 3.2Å; L2253-F2257 PolarHBondContact O-N 2.88Å; K2254-F2257 PolarHBondContact O-N 2.78Å; F2255-F2257 VanDerWaalsContact C-N 3.33Å; F2255-F2257 PolarHBondContact O-N 3.25Å; F2257-L2261 HydrophobicContact CD1-CD1 4.26Å; F2257-L2261 HydrophobicContact CE1-CD1 3.79Å; F2257-L2261 HydrophobicContact CZ-CD1 4.07Å; F2257-L2261 WeakPolarHBondContact O-CG 3.4Å; F2257-L2261 PolarHBondContact O-N 3.26Å |
| 2258 | K | 68 | Low | 67.5 | Low | 111 Ų | 111 | 69.9 Ų | 69.9 | 48% | 0.483 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.7 | -40.9 | 174.7 | -174.3 | -169.4 | 173 | -164.5 | 0 | 111.7 | K2254 F2255 R2256 L2261 | K2254-K2258 PolarHBondContact O-N 2.94Å; K2254-K2258 VanDerWaalsContact O-N 3.11Å; F2255-K2258 CarbonylContact O-C 3.46Å; F2255-K2258 WeakPolarHBondContact O-CA 3.25Å; F2255-K2258 VanDerWaalsContact O-CB 3.3Å; F2255-K2258 WeakPolarHBondContact O-CB 3.43Å; F2255-K2258 PolarHBondContact O-N 2.93Å; R2256-K2258 VanDerWaalsContact C-N 3.3Å; R2256-K2258 PolarHBondContact O-N 3.2Å; K2258-L2261 WeakPolarHBondContact O-CB 3.44Å; K2258-L2261 PolarHBondContact O-N 3.04Å |
| 2259 | M | 65.2 | Low | 68.4 | Low | 5.5 Ų | 5.5 | 72.3 Ų | 72.3 | 3% | 0.027 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68.4 | -37.8 | 179.4 | -61.7 | -53 | -76.7 | 0 | 0 | 112 | F2255 R2256 L2261 Q2262 L2267 Y2270 A2333 | F2255-M2259 HydrophobicContact CD1-CG 3.62Å; F2255-M2259 HydrophobicContact CD1-SD 4.2Å; F2255-M2259 HydrophobicContact CE1-CE 4.26Å; F2255-M2259 HydrophobicContact CE1-CG 3.5Å; F2255-M2259 VanDerWaalsContact CE1-CG 3.43Å; F2255-M2259 HydrophobicContact CE1-SD 3.58Å; F2255-M2259 WeakPolarHBondContact CE1-SD 3.42Å; F2255-M2259 HydrophobicContact CE2-SD 4.34Å; F2255-M2259 HydrophobicContact CG-CG 4.45Å; F2255-M2259 HydrophobicContact CZ-CG 4.24Å; F2255-M2259 HydrophobicContact CZ-SD 3.75Å; F2255-M2259 VanDerWaalsContact O-CG 3.29Å; F2255-M2259 WeakPolarHBondContact O-CG 3.26Å; F2255-M2259 PolarHBondContact O-N 3.29Å; R2256-M2259 PolarHBondContact O-N 3.17Å; R2256-M2259 VanDerWaalsContact O-N 3.09Å; M2259-L2261 PolarHBondContact O-N 3.12Å; M2259-L2261 VanDerWaalsContact O-N 3.14Å; M2259-Q2262 PolarHBondContact O-N 3.26Å; M2259-Q2262 PolarHBondContact SD-OE1 3.14Å; M2259-Q2262 VanDerWaalsContact SD-OE1 3.41Å; M2259-L2267 HydrophobicContact CE-CD2 3.36Å; M2259-L2267 VanDerWaalsContact CE-CD2 3.46Å; M2259-L2267 HydrophobicContact SD-CD2 4.25Å; M2259-Y2270 HydrophobicContact CE-CD1 3.73Å; M2259-Y2270 VanDerWaalsContact CE-CD1 3.49Å; M2259-Y2270 HydrophobicContact CE-CE1 3.72Å; M2259-Y2270 VanDerWaalsContact CE-CE1 3.46Å; M2259-Y2270 HydrophobicContact SD-CD1 4.47Å; M2259-Y2270 HydrophobicContact SD-CE1 3.97Å; M2259-A2333 HydrophobicContact CE-CB 4.03Å |
| 2260 | Q | 64 | Low | 69.3 | Low | 91 Ų | 91 | 73 Ų | 73 | 43% | 0.425 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -13.9 | 174.7 | -73.2 | 175.8 | -9.8 | 0 | 0 | 113.8 | R2256 E2336 | R2256-Q2260 WeakPolarHBondContact O-CG 3.37Å; R2256-Q2260 PolarHBondContact O-N 3.17Å; Q2260-E2336 WeakPolarHBondContact CG-OE2 3.33Å; Q2260-E2336 PolarHBondContact NE2-OE2 3.33Å |
| 2261 | L | 67.1 | Low | 70.2 | Confident | 130 Ų | 130 | 70.3 Ų | 70.3 | 68% | 0.681 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -4.3 | 173.7 | -64 | 170.2 | 0 | 0 | 0 | 113.2 | F2257 K2258 M2259 | F2257-L2261 HydrophobicContact CD1-CD1 4.26Å; F2257-L2261 HydrophobicContact CE1-CD1 3.79Å; F2257-L2261 HydrophobicContact CZ-CD1 4.07Å; F2257-L2261 WeakPolarHBondContact O-CG 3.4Å; F2257-L2261 PolarHBondContact O-N 3.26Å; K2258-L2261 WeakPolarHBondContact O-CB 3.44Å; K2258-L2261 PolarHBondContact O-N 3.04Å; M2259-L2261 PolarHBondContact O-N 3.12Å; M2259-L2261 VanDerWaalsContact O-N 3.14Å |
| 2262 | Q | 69 | Low | 71 | Confident | 74.5 Ų | 74.5 | 70.4 Ų | 70.4 | 35% | 0.348 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -99.6 | 154 | 179.6 | -63.6 | -172.4 | -49.6 | 0 | 0 | 111.6 | M2259 L2267 | M2259-Q2262 PolarHBondContact O-N 3.26Å; M2259-Q2262 PolarHBondContact SD-OE1 3.14Å; M2259-Q2262 VanDerWaalsContact SD-OE1 3.41Å; Q2262-L2267 HydrophobicContact CB-CD2 4.2Å |
| 2263 | S | 69.7 | Low | 72.1 | Confident | 62 Ų | 62 | 70.1 Ų | 70.1 | 43% | 0.434 | 35% | 0.352 | S | S | . | . | trans | -75.3 | 150.2 | 174 | 47.3 | 0 | 0 | 0 | 0 | 111.7 | D2265 D2266 L2267 | S2263-D2265 VanDerWaalsContact C-N 3.29Å; S2263-D2265 PolarHBondContact O-N 3.12Å; S2263-D2266 WeakPolarHBondContact CB-OD2 3.42Å; S2263-D2266 PolarHBondContact N-OD2 3Å; S2263-D2266 WeakPolarHBondContact O-CB 3.47Å; S2263-D2266 PolarHBondContact O-N 3.06Å; S2263-D2266 VanDerWaalsContact O-N 3.13Å; S2263-D2266 PolarHBondContact OG-N 2.84Å; S2263-D2266 PolarHBondContact OG-OD2 2.96Å; S2263-L2267 WeakPolarHBondContact O-CG 3.49Å; S2263-L2267 PolarHBondContact O-N 3.12Å | ||
| 2264 | L | 64.3 | Low | 73.3 | Confident | 84 Ų | 84 | 66.2 Ų | 66.2 | 44% | 0.44 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -56.1 | -36.3 | 177.4 | -84.1 | 170.3 | 0 | 0 | 0 | 113.3 | D2266 L2267 L2337 F2340 | L2264-D2266 PolarHBondContact O-N 2.83Å; L2264-L2267 HydrophobicContact CD2-CD1 4.05Å; L2264-L2267 WeakPolarHBondContact O-CB 3.01Å; L2264-L2267 PolarHBondContact O-N 3.1Å; L2264-L2267 VanDerWaalsContact O-N 3.08Å; L2264-L2337 HydrophobicContact CD2-CD1 4.2Å; L2264-F2340 HydrophobicContact CD1-CD1 4.1Å; L2264-F2340 HydrophobicContact CD1-CE1 4.08Å; L2264-F2340 HydrophobicContact CD1-CE2 4.46Å; L2264-F2340 HydrophobicContact CD1-CZ 4.2Å; L2264-F2340 HydrophobicContact CD2-CB 4.29Å; L2264-F2340 HydrophobicContact CD2-CD1 3.97Å; L2264-F2340 HydrophobicContact CD2-CD2 3.9Å; L2264-F2340 HydrophobicContact CD2-CE1 4.36Å; L2264-F2340 HydrophobicContact CD2-CE2 3.82Å; L2264-F2340 VanDerWaalsContact CD2-CE2 3.46Å; L2264-F2340 HydrophobicContact CD2-CG 3.78Å; L2264-F2340 HydrophobicContact CD2-CZ 4.07Å; L2264-F2340 HydrophobicContact CG-CD1 4.37Å; L2264-F2340 HydrophobicContact CG-CE1 4.25Å; L2264-F2340 HydrophobicContact CG-CE2 3.97Å; L2264-F2340 HydrophobicContact CG-CZ 3.76Å |
| 2265 | D | 69.7 | Low | 74.3 | Confident | 130 Ų | 130 | 61.7 Ų | 61.7 | 70% | 0.695 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -68.9 | -25.8 | -179.4 | -66.1 | -44.1 | 0 | 0 | 0 | 112.3 | K1848 S2263 P2269 | K1848-D2265 IonicContact NZ-OD1 2.74Å; S2263-D2265 VanDerWaalsContact C-N 3.29Å; S2263-D2265 PolarHBondContact O-N 3.12Å; D2265-P2269 VanDerWaalsContact O-CD 3.31Å; D2265-P2269 WeakPolarHBondContact O-CD 3.34Å |
| 2266 | D | 75.4 | Confident | 75.4 | Confident | 87 Ų | 87 | 64.8 Ų | 64.8 | 47% | 0.465 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -78.6 | -26 | 174.1 | -59.3 | -52.1 | 0 | 0 | 0 | 112.7 | S2263 L2264 R2268 P2269 Y2270 | S2263-D2266 WeakPolarHBondContact CB-OD2 3.42Å; S2263-D2266 PolarHBondContact N-OD2 3Å; S2263-D2266 WeakPolarHBondContact O-CB 3.47Å; S2263-D2266 PolarHBondContact O-N 3.06Å; S2263-D2266 VanDerWaalsContact O-N 3.13Å; S2263-D2266 PolarHBondContact OG-N 2.84Å; S2263-D2266 PolarHBondContact OG-OD2 2.96Å; L2264-D2266 PolarHBondContact O-N 2.83Å; D2266-R2268 PolarHBondContact O-N 3.16Å; D2266-P2269 VanDerWaalsContact O-CD 3.32Å; D2266-P2269 WeakPolarHBondContact O-CD 3.23Å; D2266-P2269 WeakPolarHBondContact O-CG 3.43Å; D2266-Y2270 VanDerWaalsContact O-CB 3.3Å; D2266-Y2270 WeakPolarHBondContact O-CB 3.35Å; D2266-Y2270 PolarHBondContact O-N 3.18Å |
| 2267 | L | 73.8 | Confident | 76.7 | Confident | 4 Ų | 4 | 65.3 Ų | 65.3 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.8 | -39.6 | -175.6 | -63.5 | -171.8 | 0 | 0 | 0 | 112.4 | M2259 Q2262 S2263 L2264 Y2270 I2271 L2337 F2340 | M2259-L2267 HydrophobicContact CE-CD2 3.36Å; M2259-L2267 VanDerWaalsContact CE-CD2 3.46Å; M2259-L2267 HydrophobicContact SD-CD2 4.25Å; Q2262-L2267 HydrophobicContact CB-CD2 4.2Å; S2263-L2267 WeakPolarHBondContact O-CG 3.49Å; S2263-L2267 PolarHBondContact O-N 3.12Å; L2264-L2267 HydrophobicContact CD2-CD1 4.05Å; L2264-L2267 WeakPolarHBondContact O-CB 3.01Å; L2264-L2267 PolarHBondContact O-N 3.1Å; L2264-L2267 VanDerWaalsContact O-N 3.08Å; L2267-Y2270 WeakPolarHBondContact O-CB 3.42Å; L2267-Y2270 PolarHBondContact O-N 3.01Å; L2267-I2271 VanDerWaalsContact O-CG1 3.28Å; L2267-I2271 WeakPolarHBondContact O-CG1 3.35Å; L2267-I2271 PolarHBondContact O-N 3.19Å; L2267-L2337 HydrophobicContact CB-CD1 4.02Å; L2267-L2337 HydrophobicContact CD1-CD1 4.32Å; L2267-F2340 HydrophobicContact CD1-CE2 4.34Å |
| 2268 | R | 76.7 | Confident | 77.9 | Confident | 78.5 Ų | 78.5 | 61.4 Ų | 61.4 | 30% | 0.296 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.2 | -53.8 | -175.8 | -170.8 | -172.5 | -75.6 | 172.6 | -8.7 | 113.8 | V1841 E1845 D2266 Y2270 I2271 L2272 | V1841-R2268 HydrophobicContact CG1-CG 3.63Å; V1841-R2268 WeakPolarHBondContact O-CD 3.23Å; V1841-R2268 PolarHBondContact O-NE 3.32Å; E1845-R2268 IonicContact OE1-CZ 2.72Å; E1845-R2268 IonicContact OE1-NH1 3.2Å; E1845-R2268 PolarHBondContact OE1-NH1 2.89Å; E1845-R2268 IonicContact OE1-NH2 3.57Å; E1845-R2268 PolarHBondContact OE1-NH2 3.31Å; D2266-R2268 PolarHBondContact O-N 3.16Å; R2268-Y2270 VanDerWaalsContact C-N 3.26Å; R2268-Y2270 PolarHBondContact O-N 2.84Å; R2268-I2271 PolarHBondContact O-N 3.17Å; R2268-L2272 PolarHBondContact O-N 3.17Å; R2268-L2272 VanDerWaalsContact O-N 3.16Å |
| 2269 | P | 83.2 | Confident | 78.9 | Confident | 77.5 Ų | 77.5 | 60.6 Ų | 60.6 | 50% | 0.503 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.8 | -31.4 | 175.9 | 25 | -33.7 | 0 | 0 | 0 | 111.9 | D2265 D2266 L2272 S2273 | D2265-P2269 VanDerWaalsContact O-CD 3.31Å; D2265-P2269 WeakPolarHBondContact O-CD 3.34Å; D2266-P2269 VanDerWaalsContact O-CD 3.32Å; D2266-P2269 WeakPolarHBondContact O-CD 3.23Å; D2266-P2269 WeakPolarHBondContact O-CG 3.43Å; P2269-L2272 PolarHBondContact O-N 3.02Å; P2269-S2273 WeakPolarHBondContact O-CB 3.47Å; P2269-S2273 PolarHBondContact O-N 2.98Å |
| 2270 | Y | 84.8 | Confident | 80.1 | Confident | 61.5 Ų | 61.5 | 64.7 Ų | 64.7 | 24% | 0.241 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.9 | -41.5 | 175.7 | -177.7 | -115.3 | 0 | 0 | 0 | 113.1 | F2255 M2259 D2266 L2267 R2268 L2272 S2273 L2274 | F2255-Y2270 AromaticContact CZ-CE1 3.84Å; F2255-Y2270 HydrophobicContact CZ-CE1 3.84Å; F2255-Y2270 WeakPolarHBondContact CZ-OH 3.43Å; M2259-Y2270 HydrophobicContact CE-CD1 3.73Å; M2259-Y2270 VanDerWaalsContact CE-CD1 3.49Å; M2259-Y2270 HydrophobicContact CE-CE1 3.72Å; M2259-Y2270 VanDerWaalsContact CE-CE1 3.46Å; M2259-Y2270 HydrophobicContact SD-CD1 4.47Å; M2259-Y2270 HydrophobicContact SD-CE1 3.97Å; D2266-Y2270 VanDerWaalsContact O-CB 3.3Å; D2266-Y2270 WeakPolarHBondContact O-CB 3.35Å; D2266-Y2270 PolarHBondContact O-N 3.18Å; L2267-Y2270 WeakPolarHBondContact O-CB 3.42Å; L2267-Y2270 PolarHBondContact O-N 3.01Å; R2268-Y2270 VanDerWaalsContact C-N 3.26Å; R2268-Y2270 PolarHBondContact O-N 2.84Å; Y2270-L2272 VanDerWaalsContact C-N 3.33Å; Y2270-L2272 PolarHBondContact O-N 3.35Å; Y2270-S2273 WeakPolarHBondContact O-CB 3.49Å; Y2270-S2273 PolarHBondContact O-N 3.23Å; Y2270-S2273 PolarHBondContact O-OG 2.9Å; Y2270-L2274 HydrophobicContact CD1-CD1 4Å; Y2270-L2274 HydrophobicContact CE1-CD1 3.51Å; Y2270-L2274 VanDerWaalsContact CE1-CD1 3.45Å; Y2270-L2274 HydrophobicContact CE1-CG 4.28Å; Y2270-L2274 HydrophobicContact CE2-CD1 4.28Å; Y2270-L2274 HydrophobicContact CE2-CD2 4.34Å; Y2270-L2274 HydrophobicContact CE2-CG 4.19Å; Y2270-L2274 WeakPolarHBondContact O-CB 3.12Å; Y2270-L2274 WeakPolarHBondContact O-CG 3.48Å; Y2270-L2274 PolarHBondContact O-N 2.99Å |
| 2271 | I | 83.4 | Confident | 81.3 | Confident | 3 Ų | 3 | 61.7 Ų | 61.7 | 2% | 0.015 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.1 | -43.1 | 172.3 | -70.7 | 163.2 | 0 | 0 | 0 | 110.7 | V1841 L2267 R2268 L2274 Q2275 L2330 A2333 I2334 L2337 | V1841-I2271 HydrophobicContact CG2-CG2 4.36Å; L2267-I2271 VanDerWaalsContact O-CG1 3.28Å; L2267-I2271 WeakPolarHBondContact O-CG1 3.35Å; L2267-I2271 PolarHBondContact O-N 3.19Å; R2268-I2271 PolarHBondContact O-N 3.17Å; I2271-L2274 PolarHBondContact O-N 3.2Å; I2271-Q2275 HydrophobicContact CG2-CG 4.49Å; I2271-Q2275 WeakPolarHBondContact O-CB 3.19Å; I2271-Q2275 WeakPolarHBondContact O-CG 3.38Å; I2271-Q2275 PolarHBondContact O-N 3.28Å; I2271-L2330 HydrophobicContact CG2-CD1 4.02Å; I2271-A2333 HydrophobicContact CD1-CB 4.35Å; I2271-A2333 WeakPolarHBondContact CD1-O 3.34Å; I2271-A2333 HydrophobicContact CG1-CB 3.69Å; I2271-I2334 HydrophobicContact CG2-CG1 4.13Å; I2271-L2337 HydrophobicContact CD1-CB 4.29Å; I2271-L2337 HydrophobicContact CD1-CD1 4.19Å; I2271-L2337 HydrophobicContact CD1-CD2 4Å; I2271-L2337 HydrophobicContact CD1-CG 4.38Å |
| 2272 | L | 84.3 | Confident | 82.2 | Confident | 78 Ų | 78 | 59.7 Ų | 59.7 | 41% | 0.408 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66 | -39.7 | 178.3 | -71.2 | 172.3 | 0 | 0 | 0 | 112.4 | L1838 V1841 R2268 P2269 Y2270 Q2275 N2276 | L1838-L2272 HydrophobicContact CD1-CD2 4.38Å; L1838-L2272 HydrophobicContact CD2-CD2 4.29Å; V1841-L2272 HydrophobicContact CG1-CD1 4.12Å; V1841-L2272 HydrophobicContact CG1-CD2 4.09Å; V1841-L2272 HydrophobicContact CG1-CG 4.05Å; R2268-L2272 PolarHBondContact O-N 3.17Å; R2268-L2272 VanDerWaalsContact O-N 3.16Å; P2269-L2272 PolarHBondContact O-N 3.02Å; Y2270-L2272 VanDerWaalsContact C-N 3.33Å; Y2270-L2272 PolarHBondContact O-N 3.35Å; L2272-Q2275 PolarHBondContact O-N 2.96Å; L2272-N2276 PolarHBondContact O-N 2.93Å; L2272-N2276 VanDerWaalsContact O-N 3.15Å; L2272-N2276 PolarHBondContact O-ND2 2.97Å |
| 2273 | S | 89.2 | Confident | 82.9 | Confident | 54.5 Ų | 54.5 | 58.1 Ų | 58.1 | 38% | 0.381 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.6 | -46.5 | 173.6 | 127.6 | 0 | 0 | 0 | 0 | 111.4 | P2269 Y2270 Q2275 N2276 E2277 | P2269-S2273 WeakPolarHBondContact O-CB 3.47Å; P2269-S2273 PolarHBondContact O-N 2.98Å; Y2270-S2273 WeakPolarHBondContact O-CB 3.49Å; Y2270-S2273 PolarHBondContact O-N 3.23Å; Y2270-S2273 PolarHBondContact O-OG 2.9Å; S2273-Q2275 PolarHBondContact O-N 2.82Å; S2273-N2276 PolarHBondContact O-N 2.9Å; S2273-N2276 VanDerWaalsContact O-N 3.14Å; S2273-E2277 WeakPolarHBondContact O-CG 3.42Å; S2273-E2277 PolarHBondContact O-N 3.03Å |
| 2274 | L | 88.6 | Confident | 83.8 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.2 | -41.8 | 175.9 | -76.5 | 177.3 | 0 | 0 | 0 | 112.4 | Y2270 I2271 N2276 E2277 V2278 K2326 D2329 L2330 A2333 | Y2270-L2274 HydrophobicContact CD1-CD1 4Å; Y2270-L2274 HydrophobicContact CE1-CD1 3.51Å; Y2270-L2274 VanDerWaalsContact CE1-CD1 3.45Å; Y2270-L2274 HydrophobicContact CE1-CG 4.28Å; Y2270-L2274 HydrophobicContact CE2-CD1 4.28Å; Y2270-L2274 HydrophobicContact CE2-CD2 4.34Å; Y2270-L2274 HydrophobicContact CE2-CG 4.19Å; Y2270-L2274 WeakPolarHBondContact O-CB 3.12Å; Y2270-L2274 WeakPolarHBondContact O-CG 3.48Å; Y2270-L2274 PolarHBondContact O-N 2.99Å; I2271-L2274 PolarHBondContact O-N 3.2Å; L2274-N2276 VanDerWaalsContact C-N 3.28Å; L2274-N2276 PolarHBondContact O-N 3.25Å; L2274-E2277 PolarHBondContact O-N 3.19Å; L2274-V2278 WeakPolarHBondContact O-CB 3.38Å; L2274-V2278 VanDerWaalsContact O-CG2 3.29Å; L2274-V2278 WeakPolarHBondContact O-CG2 3.4Å; L2274-V2278 PolarHBondContact O-N 3.33Å; L2274-K2326 HydrophobicContact CD2-CD 4.09Å; L2274-D2329 HydrophobicContact CD1-CB 4.3Å; L2274-D2329 HydrophobicContact CD2-CB 4.49Å; L2274-L2330 HydrophobicContact CB-CB 4.26Å; L2274-L2330 HydrophobicContact CB-CD1 3.93Å; L2274-L2330 HydrophobicContact CD1-CB 4.43Å; L2274-A2333 HydrophobicContact CD1-CB 4.44Å |
| 2275 | Q | 87.9 | Confident | 84.8 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.5 | -39.7 | 174.2 | -78.8 | -172 | -13.4 | 0 | 0 | 111.9 | N1832 L1833 L1838 I2271 L2272 S2273 R2279 L2330 | N1832-Q2275 PolarHBondContact O-NE2 3.07Å; N1832-Q2275 VanDerWaalsContact O-NE2 3.13Å; L1833-Q2275 HydrophobicContact CD2-CB 4.4Å; L1833-Q2275 HydrophobicContact CD2-CG 4.42Å; L1838-Q2275 VanDerWaalsContact CD2-OE1 3.23Å; I2271-Q2275 HydrophobicContact CG2-CG 4.49Å; I2271-Q2275 WeakPolarHBondContact O-CB 3.19Å; I2271-Q2275 WeakPolarHBondContact O-CG 3.38Å; I2271-Q2275 PolarHBondContact O-N 3.28Å; L2272-Q2275 PolarHBondContact O-N 2.96Å; S2273-Q2275 PolarHBondContact O-N 2.82Å; Q2275-R2279 WeakPolarHBondContact O-CB 3.44Å; Q2275-R2279 WeakPolarHBondContact O-CD 3.32Å; Q2275-R2279 VanDerWaalsContact O-CG 3.29Å; Q2275-R2279 WeakPolarHBondContact O-CG 3.41Å; Q2275-R2279 PolarHBondContact O-N 2.97Å; Q2275-L2330 HydrophobicContact CG-CD1 3.78Å; Q2275-L2330 HydrophobicContact CG-CD2 3.95Å; Q2275-L2330 HydrophobicContact CG-CG 4.46Å |
| 2276 | N | 89.2 | Confident | 85.2 | Confident | 85.5 Ų | 85.5 | 52.4 Ų | 52.4 | 46% | 0.457 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -70.9 | -42 | 178.4 | -117.6 | 6.2 | 0 | 0 | 0 | 112 | L2272 S2273 L2274 V2278 R2279 I2280 | L2272-N2276 PolarHBondContact O-N 2.93Å; L2272-N2276 VanDerWaalsContact O-N 3.15Å; L2272-N2276 PolarHBondContact O-ND2 2.97Å; S2273-N2276 PolarHBondContact O-N 2.9Å; S2273-N2276 VanDerWaalsContact O-N 3.14Å; L2274-N2276 VanDerWaalsContact C-N 3.28Å; L2274-N2276 PolarHBondContact O-N 3.25Å; N2276-V2278 PolarHBondContact O-N 3.46Å; N2276-R2279 PolarHBondContact O-N 3.27Å; N2276-R2279 PolarHBondContact OD1-NH1 3.4Å; N2276-I2280 WeakPolarHBondContact O-CD1 3.45Å; N2276-I2280 VanDerWaalsContact O-CG1 3.3Å; N2276-I2280 WeakPolarHBondContact O-CG1 3.39Å; N2276-I2280 PolarHBondContact O-N 2.99Å |
| 2277 | E | 92.4 | Very high | 85.5 | Confident | 70 Ų | 70 | 52.5 Ų | 52.5 | 33% | 0.327 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -57.5 | -47.4 | 172.1 | -72.7 | 180 | -168.7 | 0 | 0 | 111.7 | S2273 L2274 R2279 I2280 L2281 K2326 | S2273-E2277 WeakPolarHBondContact O-CG 3.42Å; S2273-E2277 PolarHBondContact O-N 3.03Å; L2274-E2277 PolarHBondContact O-N 3.19Å; E2277-R2279 VanDerWaalsContact C-N 3.33Å; E2277-R2279 PolarHBondContact O-N 3.26Å; E2277-I2280 PolarHBondContact O-N 3.21Å; E2277-L2281 WeakPolarHBondContact O-CB 3.47Å; E2277-L2281 WeakPolarHBondContact O-CG 3.25Å; E2277-L2281 PolarHBondContact O-N 3.05Å; E2277-K2326 IonicContact OE1-NZ 3.16Å; E2277-K2326 WeakPolarHBondContact OE2-CD 3.47Å; E2277-K2326 WeakPolarHBondContact OE2-CE 3.38Å; E2277-K2326 IonicContact OE2-NZ 2.78Å; E2277-K2326 PolarHBondContact OE2-NZ 3.03Å |
| 2278 | V | 91 | Very high | 85.9 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.5 | -38.5 | 177.5 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | L1833 L2274 N2276 W2282 L2323 K2326 N2327 L2330 | L1833-V2278 HydrophobicContact CD1-CG1 4.18Å; L1833-V2278 HydrophobicContact CD2-CB 4.37Å; L1833-V2278 HydrophobicContact CD2-CG1 4.14Å; L1833-V2278 HydrophobicContact CG-CG1 4.25Å; L2274-V2278 WeakPolarHBondContact O-CB 3.38Å; L2274-V2278 VanDerWaalsContact O-CG2 3.29Å; L2274-V2278 WeakPolarHBondContact O-CG2 3.4Å; L2274-V2278 PolarHBondContact O-N 3.33Å; N2276-V2278 PolarHBondContact O-N 3.46Å; V2278-W2282 WeakPolarHBondContact O-CB 3.45Å; V2278-W2282 PolarHBondContact O-N 3.46Å; V2278-L2323 HydrophobicContact CB-CD1 4.47Å; V2278-L2323 HydrophobicContact CG1-CD1 4.02Å; V2278-K2326 HydrophobicContact CG2-CB 3.98Å; V2278-N2327 HydrophobicContact CG2-CB 4.46Å; V2278-L2330 HydrophobicContact CB-CD2 4.41Å; V2278-L2330 HydrophobicContact CG2-CD2 4.13Å |
| 2279 | R | 88.3 | Confident | 86 | Confident | 95 Ų | 95 | 51.7 Ų | 51.7 | 36% | 0.358 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 174.2 | -74.5 | 170.1 | -171.1 | 131.1 | 7.5 | 112.1 | L1833 Q2275 N2276 E2277 W2282 A2283 | L1833-R2279 HydrophobicContact CD1-CG 4.39Å; L1833-R2279 HydrophobicContact CD2-CG 3.91Å; Q2275-R2279 WeakPolarHBondContact O-CB 3.44Å; Q2275-R2279 WeakPolarHBondContact O-CD 3.32Å; Q2275-R2279 VanDerWaalsContact O-CG 3.29Å; Q2275-R2279 WeakPolarHBondContact O-CG 3.41Å; Q2275-R2279 PolarHBondContact O-N 2.97Å; N2276-R2279 PolarHBondContact O-N 3.27Å; N2276-R2279 PolarHBondContact OD1-NH1 3.4Å; E2277-R2279 VanDerWaalsContact C-N 3.33Å; E2277-R2279 PolarHBondContact O-N 3.26Å; R2279-W2282 PolarHBondContact O-N 2.91Å; R2279-A2283 WeakPolarHBondContact O-CB 3.39Å; R2279-A2283 PolarHBondContact O-N 2.95Å |
| 2280 | I | 90.4 | Very high | 85.6 | Confident | 91 Ų | 91 | 49.5 Ų | 49.5 | 47% | 0.467 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.6 | -50.7 | 179 | -67.8 | 163.4 | 0 | 0 | 0 | 110.5 | N2276 E2277 W2282 A2283 Q2284 | N2276-I2280 WeakPolarHBondContact O-CD1 3.45Å; N2276-I2280 VanDerWaalsContact O-CG1 3.3Å; N2276-I2280 WeakPolarHBondContact O-CG1 3.39Å; N2276-I2280 PolarHBondContact O-N 2.99Å; E2277-I2280 PolarHBondContact O-N 3.21Å; I2280-W2282 VanDerWaalsContact C-N 3.26Å; I2280-W2282 PolarHBondContact O-N 2.88Å; I2280-A2283 WeakPolarHBondContact O-CB 3.37Å; I2280-A2283 PolarHBondContact O-N 3.34Å; I2280-A2283 VanDerWaalsContact O-N 3.11Å; I2280-Q2284 HydrophobicContact CG2-CG 4.47Å; I2280-Q2284 WeakPolarHBondContact O-CG 3.41Å; I2280-Q2284 PolarHBondContact O-N 3.27Å |
| 2281 | L | 89.5 | Confident | 85.4 | Confident | 28.5 Ų | 28.5 | 48.3 Ų | 48.3 | 15% | 0.149 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.5 | -36.7 | 176.6 | -73.3 | 169.9 | 0 | 0 | 0 | 111.9 | E2277 Q2284 N2285 N2322 L2323 K2326 | E2277-L2281 WeakPolarHBondContact O-CB 3.47Å; E2277-L2281 WeakPolarHBondContact O-CG 3.25Å; E2277-L2281 PolarHBondContact O-N 3.05Å; L2281-Q2284 PolarHBondContact O-N 2.64Å; L2281-N2285 VanDerWaalsContact O-CB 3.29Å; L2281-N2285 WeakPolarHBondContact O-CB 3.48Å; L2281-N2285 PolarHBondContact O-N 3.19Å; L2281-N2285 PolarHBondContact O-ND2 2.99Å; L2281-N2322 HydrophobicContact CD1-CB 4.49Å; L2281-N2322 HydrophobicContact CD2-CB 4.48Å; L2281-L2323 HydrophobicContact CB-CB 4.38Å; L2281-L2323 HydrophobicContact CB-CD1 3.79Å; L2281-K2326 HydrophobicContact CD1-CB 4.26Å; L2281-K2326 HydrophobicContact CD1-CG 4.03Å |
| 2282 | W | 85.5 | Confident | 85.1 | Confident | 87 Ų | 87 | 48.1 Ų | 48.1 | 33% | 0.33 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -70.8 | -32.2 | 176.7 | -169.2 | 59.1 | 0 | 0 | 0 | 113 | V2278 R2279 I2280 R2286 L2323 | V2278-W2282 WeakPolarHBondContact O-CB 3.45Å; V2278-W2282 PolarHBondContact O-N 3.46Å; R2279-W2282 PolarHBondContact O-N 2.91Å; I2280-W2282 VanDerWaalsContact C-N 3.26Å; I2280-W2282 PolarHBondContact O-N 2.88Å; W2282-R2286 VanDerWaalsContact CE3-CZ 3.5Å; W2282-R2286 VanDerWaalsContact CH2-CZ 3.41Å; W2282-R2286 VanDerWaalsContact CZ2-CZ 3.44Å; W2282-R2286 VanDerWaalsContact CZ3-NH2 3.25Å; W2282-R2286 VanDerWaalsContact O-CB 3.31Å; W2282-R2286 WeakPolarHBondContact O-CB 3.41Å; W2282-R2286 VanDerWaalsContact O-CD 3.31Å; W2282-R2286 WeakPolarHBondContact O-CD 3.32Å; W2282-R2286 VanDerWaalsContact O-CG 3.26Å; W2282-R2286 WeakPolarHBondContact O-CG 3.34Å; W2282-R2286 PolarHBondContact O-N 3.03Å; W2282-L2323 HydrophobicContact CB-CD1 4.12Å; W2282-L2323 HydrophobicContact CB-CD2 4.41Å |
| 2283 | A | 84.4 | Confident | 84.4 | Confident | 41.5 Ų | 41.5 | 47 Ų | 47 | 34% | 0.343 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -69.3 | -45.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | R2279 I2280 N2285 R2286 D2287 | R2279-A2283 WeakPolarHBondContact O-CB 3.39Å; R2279-A2283 PolarHBondContact O-N 2.95Å; I2280-A2283 WeakPolarHBondContact O-CB 3.37Å; I2280-A2283 PolarHBondContact O-N 3.34Å; I2280-A2283 VanDerWaalsContact O-N 3.11Å; A2283-N2285 PolarHBondContact O-N 3.21Å; A2283-R2286 WeakPolarHBondContact O-CA 3.33Å; A2283-R2286 VanDerWaalsContact O-CB 3.3Å; A2283-R2286 WeakPolarHBondContact O-CB 3.4Å; A2283-R2286 PolarHBondContact O-N 2.74Å; A2283-D2287 VanDerWaalsContact O-CG 3.27Å; A2283-D2287 PolarHBondContact O-N 3.09Å |
| 2284 | Q | 87.6 | Confident | 83.7 | Confident | 91 Ų | 91 | 48.7 Ų | 48.7 | 43% | 0.425 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.5 | -47.2 | 177.2 | -71.2 | 171.7 | -23.5 | 0 | 0 | 112.6 | I2280 L2281 R2286 D2287 I2288 | I2280-Q2284 HydrophobicContact CG2-CG 4.47Å; I2280-Q2284 WeakPolarHBondContact O-CG 3.41Å; I2280-Q2284 PolarHBondContact O-N 3.27Å; L2281-Q2284 PolarHBondContact O-N 2.64Å; Q2284-R2286 PolarHBondContact O-N 3.22Å; Q2284-R2286 VanDerWaalsContact O-N 3.16Å; Q2284-D2287 PolarHBondContact O-N 2.73Å; Q2284-D2287 VanDerWaalsContact O-N 3.08Å; Q2284-I2288 WeakPolarHBondContact O-CG1 3.24Å; Q2284-I2288 PolarHBondContact O-N 3.46Å |
| 2285 | N | 86.3 | Confident | 83 | Confident | 7 Ų | 7 | 50.6 Ų | 50.6 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.1 | -35.5 | 175.1 | -83.2 | -44.3 | 0 | 0 | 0 | 112.5 | L2281 A2283 E2289 L2316 S2319 K2320 | L2281-N2285 VanDerWaalsContact O-CB 3.29Å; L2281-N2285 WeakPolarHBondContact O-CB 3.48Å; L2281-N2285 PolarHBondContact O-N 3.19Å; L2281-N2285 PolarHBondContact O-ND2 2.99Å; A2283-N2285 PolarHBondContact O-N 3.21Å; N2285-E2289 VanDerWaalsContact O-CB 3.32Å; N2285-E2289 WeakPolarHBondContact O-CB 3.35Å; N2285-E2289 VanDerWaalsContact O-CG 3.32Å; N2285-E2289 WeakPolarHBondContact O-CG 3.36Å; N2285-E2289 PolarHBondContact O-N 3.11Å; N2285-L2316 HydrophobicContact CB-CD1 4.24Å; N2285-L2316 WeakPolarHBondContact O-CD1 3.45Å; N2285-S2319 VanDerWaalsContact CG-OG 3.29Å; N2285-S2319 PolarHBondContact ND2-O 3.17Å; N2285-S2319 PolarHBondContact ND2-OG 3.46Å; N2285-S2319 VanDerWaalsContact OD1-C 3.25Å; N2285-S2319 WeakPolarHBondContact OD1-CB 3.4Å; N2285-S2319 PolarHBondContact OD1-OG 2.72Å; N2285-K2320 PolarHBondContact OD1-N 3.09Å |
| 2286 | R | 77.6 | Confident | 82.4 | Confident | 57 Ų | 57 | 54 Ų | 54 | 22% | 0.215 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.8 | -49.2 | 175.3 | -82.1 | 170.8 | 169.4 | -168.5 | -6 | 111.5 | V1545 W2282 A2283 Q2284 I2288 E2289 L2290 | V1545-R2286 PolarHBondContact O-NH1 2.86Å; W2282-R2286 VanDerWaalsContact CE3-CZ 3.5Å; W2282-R2286 VanDerWaalsContact CH2-CZ 3.41Å; W2282-R2286 VanDerWaalsContact CZ2-CZ 3.44Å; W2282-R2286 VanDerWaalsContact CZ3-NH2 3.25Å; W2282-R2286 VanDerWaalsContact O-CB 3.31Å; W2282-R2286 WeakPolarHBondContact O-CB 3.41Å; W2282-R2286 VanDerWaalsContact O-CD 3.31Å; W2282-R2286 WeakPolarHBondContact O-CD 3.32Å; W2282-R2286 VanDerWaalsContact O-CG 3.26Å; W2282-R2286 WeakPolarHBondContact O-CG 3.34Å; W2282-R2286 PolarHBondContact O-N 3.03Å; A2283-R2286 WeakPolarHBondContact O-CA 3.33Å; A2283-R2286 VanDerWaalsContact O-CB 3.3Å; A2283-R2286 WeakPolarHBondContact O-CB 3.4Å; A2283-R2286 PolarHBondContact O-N 2.74Å; Q2284-R2286 PolarHBondContact O-N 3.22Å; Q2284-R2286 VanDerWaalsContact O-N 3.16Å; R2286-I2288 VanDerWaalsContact C-N 3.34Å; R2286-I2288 PolarHBondContact O-N 3.37Å; R2286-E2289 CarbonylContact O-C 3.53Å; R2286-E2289 WeakPolarHBondContact O-CA 3.29Å; R2286-E2289 WeakPolarHBondContact O-CB 3.39Å; R2286-E2289 PolarHBondContact O-N 2.93Å; R2286-L2290 VanDerWaalsContact O-CD2 3.26Å; R2286-L2290 WeakPolarHBondContact O-CD2 3.42Å; R2286-L2290 WeakPolarHBondContact O-CG 3.36Å; R2286-L2290 PolarHBondContact O-N 2.86Å |
| 2287 | D | 81 | Confident | 81.5 | Confident | 91 Ų | 91 | 53.3 Ų | 53.3 | 49% | 0.487 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.5 | -39.2 | -178.6 | -64.4 | -26.1 | 0 | 0 | 0 | 111.6 | A2283 Q2284 L2290 A2291 | A2283-D2287 VanDerWaalsContact O-CG 3.27Å; A2283-D2287 PolarHBondContact O-N 3.09Å; Q2284-D2287 PolarHBondContact O-N 2.73Å; Q2284-D2287 VanDerWaalsContact O-N 3.08Å; D2287-L2290 WeakPolarHBondContact O-CB 3.19Å; D2287-L2290 PolarHBondContact O-N 2.85Å; D2287-A2291 PolarHBondContact O-N 2.84Å; D2287-A2291 VanDerWaalsContact O-N 3.14Å |
| 2288 | I | 83.2 | Confident | 80.7 | Confident | 32 Ų | 32 | 53.6 Ų | 53.6 | 16% | 0.164 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.9 | -46.3 | 173.4 | -60.4 | 164 | 0 | 0 | 0 | 111.5 | Q2284 R2286 L2290 A2291 M2292 L2312 D2315 L2316 | Q2284-I2288 WeakPolarHBondContact O-CG1 3.24Å; Q2284-I2288 PolarHBondContact O-N 3.46Å; R2286-I2288 VanDerWaalsContact C-N 3.34Å; R2286-I2288 PolarHBondContact O-N 3.37Å; I2288-L2290 VanDerWaalsContact C-N 3.27Å; I2288-L2290 PolarHBondContact O-N 3.1Å; I2288-A2291 PolarHBondContact O-N 3.19Å; I2288-A2291 VanDerWaalsContact O-N 3.14Å; I2288-M2292 HydrophobicContact CG2-CG 4.44Å; I2288-M2292 HydrophobicContact CG2-SD 4.31Å; I2288-M2292 WeakPolarHBondContact O-CG 3.41Å; I2288-M2292 PolarHBondContact O-N 2.96Å; I2288-L2312 HydrophobicContact CG2-CB 4.3Å; I2288-L2312 HydrophobicContact CG2-CD2 4.3Å; I2288-L2312 WeakPolarHBondContact CG2-O 3.12Å; I2288-D2315 HydrophobicContact CD1-CB 4.38Å; I2288-L2316 HydrophobicContact CB-CD1 4.25Å; I2288-L2316 HydrophobicContact CG2-CB 3.81Å; I2288-L2316 HydrophobicContact CG2-CD1 4.24Å; I2288-L2316 HydrophobicContact CG2-CG 4.44Å |
| 2289 | E | 79.3 | Confident | 79.9 | Confident | 32 Ų | 32 | 55.1 Ų | 55.1 | 15% | 0.15 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.6 | -34.4 | 174.6 | -82.1 | -174.1 | 171.3 | 0 | 0 | 112.3 | S1690 T1692 N2285 R2286 Y2293 L2316 K2320 | S1690-E2289 WeakPolarHBondContact CB-OE1 3.35Å; S1690-E2289 PolarHBondContact OG-OE1 3.15Å; T1692-E2289 HydrophobicContact CG2-CG 4.13Å; T1692-E2289 PolarHBondContact OG1-OE1 3.37Å; N2285-E2289 VanDerWaalsContact O-CB 3.32Å; N2285-E2289 WeakPolarHBondContact O-CB 3.35Å; N2285-E2289 VanDerWaalsContact O-CG 3.32Å; N2285-E2289 WeakPolarHBondContact O-CG 3.36Å; N2285-E2289 PolarHBondContact O-N 3.11Å; R2286-E2289 CarbonylContact O-C 3.53Å; R2286-E2289 WeakPolarHBondContact O-CA 3.29Å; R2286-E2289 WeakPolarHBondContact O-CB 3.39Å; R2286-E2289 PolarHBondContact O-N 2.93Å; E2289-Y2293 WeakPolarHBondContact O-CB 3.13Å; E2289-Y2293 PolarHBondContact O-N 2.83Å; E2289-Y2293 VanDerWaalsContact O-N 3.08Å; E2289-L2316 HydrophobicContact CG-CD1 3.94Å; E2289-L2316 HydrophobicContact CG-CD2 3.63Å; E2289-L2316 HydrophobicContact CG-CG 4.46Å; E2289-K2320 VanDerWaalsContact OE1-CE 3.26Å; E2289-K2320 WeakPolarHBondContact OE1-CE 3.4Å; E2289-K2320 IonicContact OE1-NZ 3.52Å; E2289-K2320 PolarHBondContact OE1-NZ 3.17Å |
| 2290 | L | 74.3 | Confident | 79 | Confident | 31 Ų | 31 | 59.5 Ų | 59.5 | 16% | 0.162 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.2 | -45.5 | 175.4 | -58.3 | -178.1 | 0 | 0 | 0 | 111.6 | V1545 F1547 R2286 D2287 I2288 M2292 Y2293 H2294 | V1545-L2290 HydrophobicContact CG2-CD1 4.13Å; F1547-L2290 HydrophobicContact CB-CD2 3.65Å; F1547-L2290 HydrophobicContact CD1-CD2 4.27Å; F1547-L2290 HydrophobicContact CD2-CD1 3.98Å; F1547-L2290 HydrophobicContact CD2-CD2 3.27Å; F1547-L2290 HydrophobicContact CD2-CG 4.12Å; F1547-L2290 HydrophobicContact CE2-CB 4.42Å; F1547-L2290 HydrophobicContact CE2-CD1 3.96Å; F1547-L2290 HydrophobicContact CE2-CD2 3.84Å; F1547-L2290 HydrophobicContact CE2-CG 4.26Å; F1547-L2290 HydrophobicContact CG-CD2 3.5Å; F1547-L2290 VanDerWaalsContact CG-CD2 3.5Å; R2286-L2290 VanDerWaalsContact O-CD2 3.26Å; R2286-L2290 WeakPolarHBondContact O-CD2 3.42Å; R2286-L2290 WeakPolarHBondContact O-CG 3.36Å; R2286-L2290 PolarHBondContact O-N 2.86Å; D2287-L2290 WeakPolarHBondContact O-CB 3.19Å; D2287-L2290 PolarHBondContact O-N 2.85Å; I2288-L2290 VanDerWaalsContact C-N 3.27Å; I2288-L2290 PolarHBondContact O-N 3.1Å; L2290-M2292 VanDerWaalsContact C-N 3.34Å; L2290-M2292 PolarHBondContact O-N 3.43Å; L2290-Y2293 WeakPolarHBondContact O-CB 3.45Å; L2290-Y2293 PolarHBondContact O-N 3.13Å; L2290-H2294 PolarHBondContact O-CD2 3Å; L2290-H2294 VanDerWaalsContact O-CD2 3.26Å; L2290-H2294 PolarHBondContact O-N 3.25Å; L2290-H2294 VanDerWaalsContact O-N 3.07Å |
| 2291 | A | 80.6 | Confident | 78.4 | Confident | 36.5 Ų | 36.5 | 60.7 Ų | 60.7 | 30% | 0.302 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.7 | -47.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | D2287 I2288 Y2293 H2294 M2295 L2312 | D2287-A2291 PolarHBondContact O-N 2.84Å; D2287-A2291 VanDerWaalsContact O-N 3.14Å; I2288-A2291 PolarHBondContact O-N 3.19Å; I2288-A2291 VanDerWaalsContact O-N 3.14Å; A2291-Y2293 VanDerWaalsContact C-N 3.3Å; A2291-Y2293 PolarHBondContact O-N 3.08Å; A2291-H2294 PolarHBondContact O-N 3.16Å; A2291-M2295 WeakPolarHBondContact O-CB 3.37Å; A2291-M2295 VanDerWaalsContact O-CG 3.23Å; A2291-M2295 WeakPolarHBondContact O-CG 3.38Å; A2291-M2295 PolarHBondContact O-N 3.17Å; A2291-M2295 VanDerWaalsContact O-N 3.1Å; A2291-L2312 HydrophobicContact CB-CD1 4.11Å |
| 2292 | M | 77.3 | Confident | 77.8 | Confident | 0.5 Ų | 0.5 | 64.4 Ų | 64.4 | 0% | 0.002 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.1 | -42.9 | 175.6 | -69.1 | -177.3 | 74.5 | 0 | 0 | 112.4 | T1692 I2288 L2290 H2294 M2295 H2296 Y2309 L2312 L2316 | T1692-M2292 HydrophobicContact CG2-CB 4.38Å; T1692-M2292 HydrophobicContact CG2-CE 3.92Å; T1692-M2292 HydrophobicContact CG2-SD 3.8Å; I2288-M2292 HydrophobicContact CG2-CG 4.44Å; I2288-M2292 HydrophobicContact CG2-SD 4.31Å; I2288-M2292 WeakPolarHBondContact O-CG 3.41Å; I2288-M2292 PolarHBondContact O-N 2.96Å; L2290-M2292 VanDerWaalsContact C-N 3.34Å; L2290-M2292 PolarHBondContact O-N 3.43Å; M2292-H2294 PolarHBondContact O-N 3.32Å; M2292-M2295 PolarHBondContact O-N 3.15Å; M2292-H2296 WeakPolarHBondContact O-CB 3.36Å; M2292-H2296 PolarHBondContact O-N 3.31Å; M2292-Y2309 HydrophobicContact CB-CD2 4.36Å; M2292-Y2309 HydrophobicContact CB-CE2 3.89Å; M2292-Y2309 HydrophobicContact CE-CD1 4.4Å; M2292-Y2309 HydrophobicContact CE-CD2 4.33Å; M2292-Y2309 HydrophobicContact CE-CE1 3.95Å; M2292-Y2309 HydrophobicContact CE-CE2 3.79Å; M2292-Y2309 HydrophobicContact CG-CD2 4.45Å; M2292-Y2309 HydrophobicContact CG-CE2 4.29Å; M2292-L2312 HydrophobicContact CG-CB 3.78Å; M2292-L2312 HydrophobicContact CG-CD1 4.35Å; M2292-L2312 HydrophobicContact SD-CB 4.29Å; M2292-L2316 HydrophobicContact SD-CB 4.42Å; M2292-L2316 HydrophobicContact SD-CD2 3.72Å |
| 2293 | Y | 69.9 | Low | 77.5 | Confident | 54 Ų | 54 | 64.6 Ų | 64.6 | 21% | 0.212 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 177.3 | -178.4 | -95.8 | 0 | 0 | 0 | 113.1 | F1547 V1549 F1691 E2289 L2290 A2291 M2295 P2297 | F1547-Y2293 HydrophobicContact CD1-CD1 4.26Å; F1547-Y2293 HydrophobicContact CD1-CG 4.49Å; F1547-Y2293 AromaticContact CE1-CD1 3.52Å; F1547-Y2293 HydrophobicContact CE1-CD1 3.52Å; F1547-Y2293 HydrophobicContact CE1-CE1 4.02Å; F1547-Y2293 HydrophobicContact CE1-CG 4.14Å; F1547-Y2293 HydrophobicContact CZ-CD1 4.41Å; V1549-Y2293 HydrophobicContact CB-CE1 4.46Å; V1549-Y2293 VanDerWaalsContact CB-OH 3.25Å; V1549-Y2293 WeakPolarHBondContact CB-OH 3.45Å; V1549-Y2293 WeakPolarHBondContact CG1-OH 3.2Å; V1549-Y2293 HydrophobicContact CG2-CE1 4.02Å; F1691-Y2293 HydrophobicContact CD1-CD2 4.14Å; F1691-Y2293 AromaticContact CD2-CD2 3.89Å; F1691-Y2293 HydrophobicContact CD2-CD2 3.89Å; F1691-Y2293 HydrophobicContact CD2-CE2 4.34Å; F1691-Y2293 HydrophobicContact CE1-CD2 4.09Å; F1691-Y2293 AromaticContact CE2-CD2 3.83Å; F1691-Y2293 HydrophobicContact CE2-CD2 3.83Å; F1691-Y2293 HydrophobicContact CE2-CE2 4.17Å; F1691-Y2293 AromaticContact CG-CD2 3.98Å; F1691-Y2293 HydrophobicContact CG-CD2 4.04Å; F1691-Y2293 AromaticContact CZ-CD2 3.85Å; F1691-Y2293 HydrophobicContact CZ-CD2 3.93Å; E2289-Y2293 WeakPolarHBondContact O-CB 3.13Å; E2289-Y2293 PolarHBondContact O-N 2.83Å; E2289-Y2293 VanDerWaalsContact O-N 3.08Å; L2290-Y2293 WeakPolarHBondContact O-CB 3.45Å; L2290-Y2293 PolarHBondContact O-N 3.13Å; A2291-Y2293 VanDerWaalsContact C-N 3.3Å; A2291-Y2293 PolarHBondContact O-N 3.08Å; Y2293-M2295 VanDerWaalsContact C-N 3.3Å; Y2293-P2297 WeakPolarHBondContact O-CD 3.28Å |
| 2294 | H | 73.3 | Confident | 77.4 | Confident | 91 Ų | 91 | 70.9 Ų | 70.9 | 42% | 0.421 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.1 | -33.9 | 177.4 | -81.7 | -62.4 | 0 | 0 | 0 | 112.9 | A1524 F1547 L2290 A2291 M2292 L2298 | A1524-H2294 VanDerWaalsContact CB-NE2 3.31Å; A1524-H2294 WeakPolarHBondContact CB-NE2 3.23Å; F1547-H2294 AromaticContact CZ-NE2 3.73Å; L2290-H2294 PolarHBondContact O-CD2 3Å; L2290-H2294 VanDerWaalsContact O-CD2 3.26Å; L2290-H2294 PolarHBondContact O-N 3.25Å; L2290-H2294 VanDerWaalsContact O-N 3.07Å; A2291-H2294 PolarHBondContact O-N 3.16Å; M2292-H2294 PolarHBondContact O-N 3.32Å; H2294-L2298 WeakPolarHBondContact O-CD1 3.37Å |
| 2295 | M | 74 | Confident | 77 | Confident | 40 Ų | 40 | 69 Ų | 69 | 20% | 0.197 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -76.2 | -33.7 | 178.6 | -64.4 | -68.3 | -84.1 | 0 | 0 | 112.3 | A2291 M2292 Y2293 L2298 L2299 L2305 Y2309 | A2291-M2295 WeakPolarHBondContact O-CB 3.37Å; A2291-M2295 VanDerWaalsContact O-CG 3.23Å; A2291-M2295 WeakPolarHBondContact O-CG 3.38Å; A2291-M2295 PolarHBondContact O-N 3.17Å; A2291-M2295 VanDerWaalsContact O-N 3.1Å; M2292-M2295 PolarHBondContact O-N 3.15Å; Y2293-M2295 VanDerWaalsContact C-N 3.3Å; M2295-L2298 CarbonylContact O-C 3.5Å; M2295-L2298 WeakPolarHBondContact O-CA 3.29Å; M2295-L2298 WeakPolarHBondContact O-CB 3.37Å; M2295-L2298 PolarHBondContact O-N 3.14Å; M2295-L2299 WeakPolarHBondContact O-CG 3.49Å; M2295-L2299 PolarHBondContact O-N 2.76Å; M2295-L2305 HydrophobicContact CE-CB 3.91Å; M2295-L2305 HydrophobicContact CE-CD1 3.86Å; M2295-L2305 HydrophobicContact CE-CD2 3.91Å; M2295-L2305 HydrophobicContact CE-CG 4.09Å; M2295-L2305 HydrophobicContact SD-CD1 4.26Å; M2295-Y2309 HydrophobicContact CB-CD2 4.34Å |
| 2296 | H | 75.1 | Confident | 76.8 | Confident | 73 Ų | 73 | 71.5 Ų | 71.5 | 34% | 0.338 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.1 | -42.7 | -170.6 | -174.2 | 16.4 | 0 | 0 | 0 | 115.5 | F1691 M2292 L2298 L2299 Y2309 | F1691-H2296 HydrophobicContact CE1-CB 4.07Å; F1691-H2296 AromaticContact CE1-CD2 3.96Å; F1691-H2296 HydrophobicContact CZ-CB 3.64Å; F1691-H2296 AromaticContact CZ-CD2 3.42Å; F1691-H2296 VanDerWaalsContact CZ-CD2 3.42Å; F1691-H2296 WeakPolarHBondContact CZ-CD2 3.43Å; F1691-H2296 AromaticContact CZ-CG 3.56Å; F1691-H2296 VanDerWaalsContact CZ-CG 3.47Å; F1691-H2296 AromaticContact CZ-ND1 3.94Å; M2292-H2296 WeakPolarHBondContact O-CB 3.36Å; M2292-H2296 PolarHBondContact O-N 3.31Å; H2296-L2298 VanDerWaalsContact C-N 3.31Å; H2296-L2298 PolarHBondContact O-N 3.14Å; H2296-L2299 WeakPolarHBondContact O-CB 3.34Å; H2296-L2299 PolarHBondContact O-N 3.11Å; H2296-Y2309 HydrophobicContact CB-CE2 4.23Å; H2296-Y2309 AromaticContact ND1-CZ 3.94Å; H2296-Y2309 PolarHBondContact ND1-OH 2.92Å |
| 2297 | P | 70.3 | Confident | 77.2 | Confident | 70.5 Ų | 70.5 | 72.9 Ų | 72.9 | 46% | 0.458 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62 | -39.2 | 171.9 | -22.8 | 33.5 | 0 | 0 | 0 | 112.4 | Y2293 L2299 K2300 | Y2293-P2297 WeakPolarHBondContact O-CD 3.28Å; P2297-L2299 VanDerWaalsContact C-N 3.27Å; P2297-L2299 PolarHBondContact O-N 2.91Å; P2297-K2300 PolarHBondContact O-N 2.87Å |
| 2298 | L | 76.9 | Confident | 77.5 | Confident | 76 Ų | 76 | 71 Ų | 71 | 40% | 0.398 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -70.5 | -20.8 | -178.5 | -58.5 | 173.1 | 0 | 0 | 0 | 112.7 | H2294 M2295 H2296 K2300 D2301 H2302 L2305 | H2294-L2298 WeakPolarHBondContact O-CD1 3.37Å; M2295-L2298 CarbonylContact O-C 3.5Å; M2295-L2298 WeakPolarHBondContact O-CA 3.29Å; M2295-L2298 WeakPolarHBondContact O-CB 3.37Å; M2295-L2298 PolarHBondContact O-N 3.14Å; H2296-L2298 VanDerWaalsContact C-N 3.31Å; H2296-L2298 PolarHBondContact O-N 3.14Å; L2298-K2300 PolarHBondContact O-N 2.82Å; L2298-D2301 PolarHBondContact O-N 2.92Å; L2298-D2301 VanDerWaalsContact O-N 3.13Å; L2298-H2302 WeakPolarHBondContact O-CB 3.32Å; L2298-H2302 PolarHBondContact O-N 3.11Å; L2298-L2305 HydrophobicContact CB-CD1 4.24Å |
| 2299 | L | 72.5 | Confident | 77.5 | Confident | 32.5 Ų | 32.5 | 71.3 Ų | 71.3 | 17% | 0.17 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -27.7 | 175.8 | -68.9 | 176.6 | 0 | 0 | 0 | 113 | M2295 H2296 P2297 L2305 V2306 Y2309 | M2295-L2299 WeakPolarHBondContact O-CG 3.49Å; M2295-L2299 PolarHBondContact O-N 2.76Å; H2296-L2299 WeakPolarHBondContact O-CB 3.34Å; H2296-L2299 PolarHBondContact O-N 3.11Å; P2297-L2299 VanDerWaalsContact C-N 3.27Å; P2297-L2299 PolarHBondContact O-N 2.91Å; L2299-L2305 HydrophobicContact CD2-CB 3.89Å; L2299-V2306 HydrophobicContact CD2-CB 4.47Å; L2299-V2306 HydrophobicContact CD2-CG2 3.94Å; L2299-Y2309 HydrophobicContact CD1-CD1 4.09Å; L2299-Y2309 HydrophobicContact CD1-CD2 3.84Å; L2299-Y2309 HydrophobicContact CD1-CE1 4.41Å; L2299-Y2309 HydrophobicContact CD1-CE2 4.16Å; L2299-Y2309 HydrophobicContact CD1-CG 3.79Å |
| 2300 | K | 69 | Low | 77.8 | Confident | 185.5 Ų | 185.5 | 74.2 Ų | 74.2 | 81% | 0.807 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -36.9 | 176.3 | -68 | -167.8 | 174.9 | -167.9 | 0 | 112.2 | P2297 L2298 | P2297-K2300 PolarHBondContact O-N 2.87Å; L2298-K2300 PolarHBondContact O-N 2.82Å |
| 2301 | D | 78.1 | Confident | 78.5 | Confident | 117 Ų | 117 | 78.6 Ų | 78.6 | 63% | 0.626 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -28.3 | -177.9 | -57.3 | -34.5 | 0 | 0 | 0 | 111.8 | L2298 | L2298-D2301 PolarHBondContact O-N 2.92Å; L2298-D2301 VanDerWaalsContact O-N 3.13Å |
| 2302 | H | 78.6 | Confident | 78.9 | Confident | 106 Ų | 106 | 78.7 Ų | 78.7 | 49% | 0.491 | 40% | 0.404 | S | S | . | . | trans | -134.2 | 83.4 | -173.3 | -62.3 | -44.6 | 0 | 0 | 0 | 111.8 | L2298 E2304 L2305 | L2298-H2302 WeakPolarHBondContact O-CB 3.32Å; L2298-H2302 PolarHBondContact O-N 3.11Å; H2302-E2304 PolarHBondContact O-N 3.11Å; H2302-E2304 VanDerWaalsContact O-N 3.14Å; H2302-L2305 HydrophobicContact CB-CD1 3.87Å; H2302-L2305 HydrophobicContact CB-CG 4.05Å; H2302-L2305 WeakPolarHBondContact O-CB 3.48Å; H2302-L2305 PolarHBondContact O-N 3.06Å; H2302-L2305 VanDerWaalsContact O-N 3.13Å | ||
| 2303 | P | 78.5 | Confident | 79.3 | Confident | 92.5 Ų | 92.5 | 80 Ų | 80 | 60% | 0.601 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -65.4 | -15.9 | -180 | 26.3 | -34.9 | 0 | 0 | 0 | 113.8 | L2305 V2306 | P2303-L2305 PolarHBondContact O-N 2.93Å; P2303-V2306 WeakPolarHBondContact O-CB 3.48Å; P2303-V2306 VanDerWaalsContact O-CG2 3.24Å; P2303-V2306 WeakPolarHBondContact O-CG2 3.32Å; P2303-V2306 PolarHBondContact O-N 3.22Å; P2303-V2306 VanDerWaalsContact O-N 3.16Å |
| 2304 | E | 81.1 | Confident | 80.1 | Confident | 172 Ų | 172 | 84.1 Ų | 84.1 | 80% | 0.804 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -62.5 | -19.7 | 173.6 | -61.7 | -179 | -174.9 | 0 | 0 | 113.3 | H2302 V2306 P2307 | H2302-E2304 PolarHBondContact O-N 3.11Å; H2302-E2304 VanDerWaalsContact O-N 3.14Å; E2304-V2306 VanDerWaalsContact C-N 3.33Å; E2304-P2307 VanDerWaalsContact O-CD 3.27Å; E2304-P2307 WeakPolarHBondContact O-CD 3.39Å; E2304-P2307 WeakPolarHBondContact O-CG 3.12Å |
| 2305 | L | 80.9 | Confident | 80.9 | Confident | 52.5 Ų | 52.5 | 83.3 Ų | 83.3 | 28% | 0.275 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -83.3 | -11 | 179.3 | -60.3 | 179.6 | 0 | 0 | 0 | 113.3 | M2295 L2298 L2299 H2302 P2303 S2308 Y2309 | M2295-L2305 HydrophobicContact CE-CB 3.91Å; M2295-L2305 HydrophobicContact CE-CD1 3.86Å; M2295-L2305 HydrophobicContact CE-CD2 3.91Å; M2295-L2305 HydrophobicContact CE-CG 4.09Å; M2295-L2305 HydrophobicContact SD-CD1 4.26Å; L2298-L2305 HydrophobicContact CB-CD1 4.24Å; L2299-L2305 HydrophobicContact CD2-CB 3.89Å; H2302-L2305 HydrophobicContact CB-CD1 3.87Å; H2302-L2305 HydrophobicContact CB-CG 4.05Å; H2302-L2305 WeakPolarHBondContact O-CB 3.48Å; H2302-L2305 PolarHBondContact O-N 3.06Å; H2302-L2305 VanDerWaalsContact O-N 3.13Å; P2303-L2305 PolarHBondContact O-N 2.93Å; L2305-S2308 PolarHBondContact O-N 3.28Å; L2305-S2308 VanDerWaalsContact O-N 3.16Å; L2305-Y2309 PolarHBondContact O-N 3.18Å |
| 2306 | V | 82.3 | Confident | 81.6 | Confident | 60 Ų | 60 | 81.5 Ų | 81.5 | 36% | 0.364 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -53.9 | -46.3 | 178.7 | 173.6 | 0 | 0 | 0 | 0 | 113.3 | L2299 P2303 E2304 S2308 Y2309 L2310 | L2299-V2306 HydrophobicContact CD2-CB 4.47Å; L2299-V2306 HydrophobicContact CD2-CG2 3.94Å; P2303-V2306 WeakPolarHBondContact O-CB 3.48Å; P2303-V2306 VanDerWaalsContact O-CG2 3.24Å; P2303-V2306 WeakPolarHBondContact O-CG2 3.32Å; P2303-V2306 PolarHBondContact O-N 3.22Å; P2303-V2306 VanDerWaalsContact O-N 3.16Å; E2304-V2306 VanDerWaalsContact C-N 3.33Å; V2306-S2308 VanDerWaalsContact C-N 3.33Å; V2306-S2308 PolarHBondContact O-N 2.83Å; V2306-Y2309 PolarHBondContact O-N 3.31Å; V2306-L2310 HydrophobicContact CG1-CD1 3.96Å; V2306-L2310 HydrophobicContact CG1-CG 4.34Å; V2306-L2310 WeakPolarHBondContact O-CG 3.33Å; V2306-L2310 PolarHBondContact O-N 3.07Å |
| 2307 | P | 86 | Confident | 82.1 | Confident | 85.5 Ų | 85.5 | 84.3 Ų | 84.3 | 56% | 0.555 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -59.3 | -41.5 | 176.7 | -1.3 | 0.3 | 0 | 0 | 0 | 113.3 | E2304 Y2309 L2310 E2311 | E2304-P2307 VanDerWaalsContact O-CD 3.27Å; E2304-P2307 WeakPolarHBondContact O-CD 3.39Å; E2304-P2307 WeakPolarHBondContact O-CG 3.12Å; P2307-Y2309 VanDerWaalsContact C-N 3.34Å; P2307-Y2309 PolarHBondContact O-N 3.19Å; P2307-L2310 PolarHBondContact O-N 2.82Å; P2307-E2311 PolarHBondContact O-N 2.92Å |
| 2308 | S | 85.8 | Confident | 83 | Confident | 50.5 Ų | 50.5 | 87.2 Ų | 87.2 | 35% | 0.353 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67.8 | -37.1 | 177.6 | -179.5 | 0 | 0 | 0 | 0 | 111.8 | L2305 V2306 E2311 L2312 | L2305-S2308 PolarHBondContact O-N 3.28Å; L2305-S2308 VanDerWaalsContact O-N 3.16Å; V2306-S2308 VanDerWaalsContact C-N 3.33Å; V2306-S2308 PolarHBondContact O-N 2.83Å; S2308-E2311 PolarHBondContact O-N 3.08Å; S2308-L2312 WeakPolarHBondContact O-CG 3.41Å; S2308-L2312 PolarHBondContact O-N 3.3Å |
| 2309 | Y | 84.2 | Confident | 83.6 | Confident | 39 Ų | 39 | 84.1 Ų | 84.1 | 15% | 0.153 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -64 | -40.5 | 172.9 | -177.8 | -91.6 | 0 | 0 | 0 | 112.4 | M2292 M2295 H2296 L2299 L2305 V2306 P2307 E2311 L2312 S2313 | M2292-Y2309 HydrophobicContact CB-CD2 4.36Å; M2292-Y2309 HydrophobicContact CB-CE2 3.89Å; M2292-Y2309 HydrophobicContact CE-CD1 4.4Å; M2292-Y2309 HydrophobicContact CE-CD2 4.33Å; M2292-Y2309 HydrophobicContact CE-CE1 3.95Å; M2292-Y2309 HydrophobicContact CE-CE2 3.79Å; M2292-Y2309 HydrophobicContact CG-CD2 4.45Å; M2292-Y2309 HydrophobicContact CG-CE2 4.29Å; M2295-Y2309 HydrophobicContact CB-CD2 4.34Å; H2296-Y2309 HydrophobicContact CB-CE2 4.23Å; H2296-Y2309 AromaticContact ND1-CZ 3.94Å; H2296-Y2309 PolarHBondContact ND1-OH 2.92Å; L2299-Y2309 HydrophobicContact CD1-CD1 4.09Å; L2299-Y2309 HydrophobicContact CD1-CD2 3.84Å; L2299-Y2309 HydrophobicContact CD1-CE1 4.41Å; L2299-Y2309 HydrophobicContact CD1-CE2 4.16Å; L2299-Y2309 HydrophobicContact CD1-CG 3.79Å; L2305-Y2309 PolarHBondContact O-N 3.18Å; V2306-Y2309 PolarHBondContact O-N 3.31Å; P2307-Y2309 VanDerWaalsContact C-N 3.34Å; P2307-Y2309 PolarHBondContact O-N 3.19Å; Y2309-E2311 VanDerWaalsContact C-N 3.3Å; Y2309-E2311 PolarHBondContact O-N 2.94Å; Y2309-L2312 PolarHBondContact O-N 2.95Å; Y2309-S2313 WeakPolarHBondContact O-CB 3.44Å; Y2309-S2313 PolarHBondContact O-N 3.06Å |
| 2310 | L | 85.5 | Confident | 84.2 | Confident | 93.5 Ų | 93.5 | 85.9 Ų | 85.9 | 49% | 0.49 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -70.2 | -26.9 | 176 | -70.4 | 173.8 | 0 | 0 | 0 | 113.2 | V2306 P2307 S2313 K2314 | V2306-L2310 HydrophobicContact CG1-CD1 3.96Å; V2306-L2310 HydrophobicContact CG1-CG 4.34Å; V2306-L2310 WeakPolarHBondContact O-CG 3.33Å; V2306-L2310 PolarHBondContact O-N 3.07Å; P2307-L2310 PolarHBondContact O-N 2.82Å; L2310-S2313 PolarHBondContact O-N 2.91Å; L2310-K2314 WeakPolarHBondContact O-CD 3.27Å; L2310-K2314 WeakPolarHBondContact O-CG 3.43Å; L2310-K2314 PolarHBondContact O-N 2.92Å; L2310-K2314 VanDerWaalsContact O-N 3.12Å |
| 2311 | E | 89.5 | Confident | 85 | Confident | 122.5 Ų | 122.5 | 79.6 Ų | 79.6 | 57% | 0.572 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -70.6 | -53.1 | 172 | -170 | 167.3 | -148.3 | 0 | 0 | 110.3 | P2307 S2308 Y2309 S2313 K2314 D2315 | P2307-E2311 PolarHBondContact O-N 2.92Å; S2308-E2311 PolarHBondContact O-N 3.08Å; Y2309-E2311 VanDerWaalsContact C-N 3.3Å; Y2309-E2311 PolarHBondContact O-N 2.94Å; E2311-S2313 PolarHBondContact O-N 3.09Å; E2311-S2313 VanDerWaalsContact O-N 3.15Å; E2311-K2314 WeakPolarHBondContact O-CB 3.4Å; E2311-K2314 PolarHBondContact O-N 3.12Å; E2311-D2315 PolarHBondContact O-N 3.17Å; E2311-D2315 VanDerWaalsContact O-N 3.13Å |
| 2312 | L | 87.5 | Confident | 85.5 | Confident | 38 Ų | 38 | 77.3 Ų | 77.3 | 20% | 0.199 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -56 | -36.2 | 174.1 | -70.7 | 171.2 | 0 | 0 | 0 | 112.9 | I2288 A2291 M2292 S2308 Y2309 K2314 D2315 L2316 | I2288-L2312 HydrophobicContact CG2-CB 4.3Å; I2288-L2312 HydrophobicContact CG2-CD2 4.3Å; I2288-L2312 WeakPolarHBondContact CG2-O 3.12Å; A2291-L2312 HydrophobicContact CB-CD1 4.11Å; M2292-L2312 HydrophobicContact CG-CB 3.78Å; M2292-L2312 HydrophobicContact CG-CD1 4.35Å; M2292-L2312 HydrophobicContact SD-CB 4.29Å; S2308-L2312 WeakPolarHBondContact O-CG 3.41Å; S2308-L2312 PolarHBondContact O-N 3.3Å; Y2309-L2312 PolarHBondContact O-N 2.95Å; L2312-K2314 VanDerWaalsContact C-N 3.31Å; L2312-K2314 PolarHBondContact O-N 3.44Å; L2312-D2315 PolarHBondContact O-N 3.02Å; L2312-L2316 VanDerWaalsContact O-CB 3.3Å; L2312-L2316 WeakPolarHBondContact O-CB 3.36Å; L2312-L2316 PolarHBondContact O-N 2.85Å |
| 2313 | S | 85.8 | Confident | 86 | Confident | 28.5 Ų | 28.5 | 72.9 Ų | 72.9 | 20% | 0.199 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.8 | -36.9 | 176.1 | -164.6 | 0 | 0 | 0 | 0 | 112.7 | Y2309 L2310 E2311 L2316 E2317 | Y2309-S2313 WeakPolarHBondContact O-CB 3.44Å; Y2309-S2313 PolarHBondContact O-N 3.06Å; L2310-S2313 PolarHBondContact O-N 2.91Å; E2311-S2313 PolarHBondContact O-N 3.09Å; E2311-S2313 VanDerWaalsContact O-N 3.15Å; S2313-L2316 PolarHBondContact O-N 2.8Å; S2313-E2317 WeakPolarHBondContact O-CG 3.35Å; S2313-E2317 PolarHBondContact O-N 2.89Å; S2313-E2317 VanDerWaalsContact O-N 3.08Å |
| 2314 | K | 88 | Confident | 86.3 | Confident | 140 Ų | 140 | 69.7 Ų | 69.7 | 61% | 0.609 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -73.4 | -44 | 177.3 | -70.1 | 168.9 | -175.5 | 170.2 | 0 | 111.3 | L2310 E2311 L2312 L2316 E2317 E2318 | L2310-K2314 WeakPolarHBondContact O-CD 3.27Å; L2310-K2314 WeakPolarHBondContact O-CG 3.43Å; L2310-K2314 PolarHBondContact O-N 2.92Å; L2310-K2314 VanDerWaalsContact O-N 3.12Å; E2311-K2314 WeakPolarHBondContact O-CB 3.4Å; E2311-K2314 PolarHBondContact O-N 3.12Å; L2312-K2314 VanDerWaalsContact C-N 3.31Å; L2312-K2314 PolarHBondContact O-N 3.44Å; K2314-L2316 PolarHBondContact O-N 2.87Å; K2314-E2317 PolarHBondContact O-N 3.42Å; K2314-E2317 VanDerWaalsContact O-N 3.16Å; K2314-E2318 PolarHBondContact O-N 2.85Å |
| 2315 | D | 89.9 | Confident | 86.5 | Confident | 75 Ų | 75 | 65.6 Ų | 65.6 | 40% | 0.401 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -57.8 | -38.4 | 175.5 | -65.6 | -9.7 | 0 | 0 | 0 | 110.8 | I2288 E2311 L2312 S2319 | I2288-D2315 HydrophobicContact CD1-CB 4.38Å; E2311-D2315 PolarHBondContact O-N 3.17Å; E2311-D2315 VanDerWaalsContact O-N 3.13Å; L2312-D2315 PolarHBondContact O-N 3.02Å; D2315-S2319 VanDerWaalsContact O-CB 3.23Å; D2315-S2319 WeakPolarHBondContact O-CB 3.42Å; D2315-S2319 PolarHBondContact O-N 3.24Å |
| 2316 | L | 87.5 | Confident | 86.8 | Confident | 2.5 Ų | 2.5 | 66.3 Ų | 66.3 | 1% | 0.013 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67 | -42.4 | 175.1 | -174.3 | 59.2 | 0 | 0 | 0 | 112.9 | T1692 N2285 I2288 E2289 M2292 L2312 S2313 K2314 S2319 K2320 | T1692-L2316 HydrophobicContact CG2-CD2 3.71Å; T1692-L2316 WeakPolarHBondContact OG1-CD2 3.42Å; N2285-L2316 HydrophobicContact CB-CD1 4.24Å; N2285-L2316 WeakPolarHBondContact O-CD1 3.45Å; I2288-L2316 HydrophobicContact CB-CD1 4.25Å; I2288-L2316 HydrophobicContact CG2-CB 3.81Å; I2288-L2316 HydrophobicContact CG2-CD1 4.24Å; I2288-L2316 HydrophobicContact CG2-CG 4.44Å; E2289-L2316 HydrophobicContact CG-CD1 3.94Å; E2289-L2316 HydrophobicContact CG-CD2 3.63Å; E2289-L2316 HydrophobicContact CG-CG 4.46Å; M2292-L2316 HydrophobicContact SD-CB 4.42Å; M2292-L2316 HydrophobicContact SD-CD2 3.72Å; L2312-L2316 VanDerWaalsContact O-CB 3.3Å; L2312-L2316 WeakPolarHBondContact O-CB 3.36Å; L2312-L2316 PolarHBondContact O-N 2.85Å; S2313-L2316 PolarHBondContact O-N 2.8Å; K2314-L2316 PolarHBondContact O-N 2.87Å; L2316-S2319 PolarHBondContact O-N 3.04Å; L2316-K2320 HydrophobicContact CD1-CD 4.23Å; L2316-K2320 HydrophobicContact CD1-CG 4.31Å; L2316-K2320 HydrophobicContact CG-CD 4.06Å; L2316-K2320 VanDerWaalsContact O-CB 3.25Å; L2316-K2320 WeakPolarHBondContact O-CB 3.46Å; L2316-K2320 VanDerWaalsContact O-CG 3.26Å; L2316-K2320 WeakPolarHBondContact O-CG 3.4Å; L2316-K2320 PolarHBondContact O-N 3.26Å |
| 2317 | E | 85.6 | Confident | 87.1 | Confident | 131.5 Ų | 131.5 | 63.7 Ų | 63.7 | 61% | 0.614 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.5 | -44.5 | 176.4 | -77.8 | 176 | -164.9 | 0 | 0 | 111.6 | S2313 K2314 K2320 A2321 | S2313-E2317 WeakPolarHBondContact O-CG 3.35Å; S2313-E2317 PolarHBondContact O-N 2.89Å; S2313-E2317 VanDerWaalsContact O-N 3.08Å; K2314-E2317 PolarHBondContact O-N 3.42Å; K2314-E2317 VanDerWaalsContact O-N 3.16Å; E2317-K2320 PolarHBondContact O-N 3.02Å; E2317-A2321 PolarHBondContact O-N 3.02Å |
| 2318 | E | 89.6 | Confident | 86.9 | Confident | 130 Ų | 130 | 61 Ų | 61 | 61% | 0.607 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -64.8 | -45.8 | 177 | -175.4 | 171.4 | 173.2 | 0 | 0 | 111.6 | K2314 K2320 A2321 N2322 | K2314-E2318 PolarHBondContact O-N 2.85Å; E2318-K2320 VanDerWaalsContact C-N 3.33Å; E2318-K2320 PolarHBondContact O-N 3.29Å; E2318-A2321 WeakPolarHBondContact O-CB 3.42Å; E2318-A2321 PolarHBondContact O-N 3.27Å; E2318-N2322 WeakPolarHBondContact O-CB 3.43Å; E2318-N2322 PolarHBondContact O-N 3.29Å; E2318-N2322 PolarHBondContact O-ND2 3.24Å; E2318-N2322 VanDerWaalsContact O-ND2 3.17Å |
| 2319 | S | 88.9 | Confident | 86.8 | Confident | 12.5 Ų | 12.5 | 60.5 Ų | 60.5 | 9% | 0.087 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67 | -31.6 | 177.4 | -177.3 | 0 | 0 | 0 | 0 | 112.7 | N2285 D2315 L2316 L2323 | N2285-S2319 VanDerWaalsContact CG-OG 3.29Å; N2285-S2319 PolarHBondContact ND2-O 3.17Å; N2285-S2319 PolarHBondContact ND2-OG 3.46Å; N2285-S2319 VanDerWaalsContact OD1-C 3.25Å; N2285-S2319 WeakPolarHBondContact OD1-CB 3.4Å; N2285-S2319 PolarHBondContact OD1-OG 2.72Å; D2315-S2319 VanDerWaalsContact O-CB 3.23Å; D2315-S2319 WeakPolarHBondContact O-CB 3.42Å; D2315-S2319 PolarHBondContact O-N 3.24Å; L2316-S2319 PolarHBondContact O-N 3.04Å; S2319-L2323 VanDerWaalsContact O-CB 3.3Å; S2319-L2323 WeakPolarHBondContact O-CB 3.41Å; S2319-L2323 PolarHBondContact O-N 3.2Å |
| 2320 | K | 86.7 | Confident | 86.9 | Confident | 70 Ų | 70 | 58.7 Ų | 58.7 | 30% | 0.304 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.9 | -41.3 | 170.6 | -80.5 | 174.2 | 177.1 | 169.6 | 0 | 112.1 | T1692 N2285 E2289 L2316 E2317 E2318 L2323 S2324 | T1692-K2320 PolarHBondContact OG1-NZ 3.19Å; N2285-K2320 PolarHBondContact OD1-N 3.09Å; E2289-K2320 VanDerWaalsContact OE1-CE 3.26Å; E2289-K2320 WeakPolarHBondContact OE1-CE 3.4Å; E2289-K2320 IonicContact OE1-NZ 3.52Å; E2289-K2320 PolarHBondContact OE1-NZ 3.17Å; L2316-K2320 HydrophobicContact CD1-CD 4.23Å; L2316-K2320 HydrophobicContact CD1-CG 4.31Å; L2316-K2320 HydrophobicContact CG-CD 4.06Å; L2316-K2320 VanDerWaalsContact O-CB 3.25Å; L2316-K2320 WeakPolarHBondContact O-CB 3.46Å; L2316-K2320 VanDerWaalsContact O-CG 3.26Å; L2316-K2320 WeakPolarHBondContact O-CG 3.4Å; L2316-K2320 PolarHBondContact O-N 3.26Å; E2317-K2320 PolarHBondContact O-N 3.02Å; E2318-K2320 VanDerWaalsContact C-N 3.33Å; E2318-K2320 PolarHBondContact O-N 3.29Å; K2320-L2323 PolarHBondContact O-N 3.13Å; K2320-S2324 PolarHBondContact O-N 2.92Å |
| 2321 | A | 85.1 | Confident | 86.6 | Confident | 52 Ų | 52 | 57.3 Ų | 57.3 | 43% | 0.43 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.8 | -46.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | E2317 E2318 L2323 S2324 L2325 | E2317-A2321 PolarHBondContact O-N 3.02Å; E2318-A2321 WeakPolarHBondContact O-CB 3.42Å; E2318-A2321 PolarHBondContact O-N 3.27Å; A2321-L2323 PolarHBondContact O-N 3.04Å; A2321-S2324 WeakPolarHBondContact O-CB 3.09Å; A2321-S2324 PolarHBondContact O-N 3Å; A2321-L2325 WeakPolarHBondContact O-CG 3.1Å; A2321-L2325 PolarHBondContact O-N 3.02Å; A2321-L2325 VanDerWaalsContact O-N 3.1Å |
| 2322 | N | 89.5 | Confident | 85.9 | Confident | 68.5 Ų | 68.5 | 52.3 Ų | 52.3 | 37% | 0.366 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 176.2 | -73.9 | -32.5 | 0 | 0 | 0 | 112.3 | L2281 E2318 S2324 L2325 K2326 | L2281-N2322 HydrophobicContact CD1-CB 4.49Å; L2281-N2322 HydrophobicContact CD2-CB 4.48Å; E2318-N2322 WeakPolarHBondContact O-CB 3.43Å; E2318-N2322 PolarHBondContact O-N 3.29Å; E2318-N2322 PolarHBondContact O-ND2 3.24Å; E2318-N2322 VanDerWaalsContact O-ND2 3.17Å; N2322-S2324 VanDerWaalsContact C-N 3.34Å; N2322-S2324 PolarHBondContact O-N 3.34Å; N2322-L2325 PolarHBondContact O-N 3.15Å; N2322-K2326 WeakPolarHBondContact O-CB 3.28Å; N2322-K2326 WeakPolarHBondContact O-CG 3.39Å; N2322-K2326 PolarHBondContact O-N 2.91Å |
| 2323 | L | 88.7 | Confident | 85.4 | Confident | 15 Ų | 15 | 50.5 Ų | 50.5 | 8% | 0.079 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 173.9 | -179 | 76.5 | 0 | 0 | 0 | 112 | I1829 V2278 L2281 W2282 S2319 K2320 A2321 N2327 | I1829-L2323 HydrophobicContact CD1-CD2 3.99Å; V2278-L2323 HydrophobicContact CB-CD1 4.47Å; V2278-L2323 HydrophobicContact CG1-CD1 4.02Å; L2281-L2323 HydrophobicContact CB-CB 4.38Å; L2281-L2323 HydrophobicContact CB-CD1 3.79Å; W2282-L2323 HydrophobicContact CB-CD1 4.12Å; W2282-L2323 HydrophobicContact CB-CD2 4.41Å; S2319-L2323 VanDerWaalsContact O-CB 3.3Å; S2319-L2323 WeakPolarHBondContact O-CB 3.41Å; S2319-L2323 PolarHBondContact O-N 3.2Å; K2320-L2323 PolarHBondContact O-N 3.13Å; A2321-L2323 PolarHBondContact O-N 3.04Å; L2323-N2327 VanDerWaalsContact O-CB 3.3Å; L2323-N2327 WeakPolarHBondContact O-CB 3.32Å; L2323-N2327 PolarHBondContact O-N 3.17Å |
| 2324 | S | 84.6 | Confident | 84.9 | Confident | 25 Ų | 25 | 49.8 Ų | 49.8 | 18% | 0.175 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.6 | -48.6 | 178.5 | -166.5 | 0 | 0 | 0 | 0 | 111.2 | K1825 K2320 A2321 N2322 N2327 E2328 | K1825-S2324 PolarHBondContact NZ-OG 3.07Å; K2320-S2324 PolarHBondContact O-N 2.92Å; A2321-S2324 WeakPolarHBondContact O-CB 3.09Å; A2321-S2324 PolarHBondContact O-N 3Å; N2322-S2324 VanDerWaalsContact C-N 3.34Å; N2322-S2324 PolarHBondContact O-N 3.34Å; S2324-N2327 PolarHBondContact O-N 2.99Å; S2324-E2328 WeakPolarHBondContact O-CB 3.45Å; S2324-E2328 WeakPolarHBondContact O-CG 3.36Å; S2324-E2328 PolarHBondContact O-N 3.28Å; S2324-E2328 PolarHBondContact OG-OE1 3.06Å |
| 2325 | L | 85.1 | Confident | 84 | Confident | 86 Ų | 86 | 49 Ų | 49 | 45% | 0.45 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.3 | -49.2 | 179.5 | -68.3 | 171.7 | 0 | 0 | 0 | 111.7 | A2321 N2322 N2327 E2328 D2329 | A2321-L2325 WeakPolarHBondContact O-CG 3.1Å; A2321-L2325 PolarHBondContact O-N 3.02Å; A2321-L2325 VanDerWaalsContact O-N 3.1Å; N2322-L2325 PolarHBondContact O-N 3.15Å; L2325-N2327 VanDerWaalsContact C-N 3.32Å; L2325-N2327 PolarHBondContact O-N 2.95Å; L2325-E2328 WeakPolarHBondContact O-CB 3.23Å; L2325-E2328 PolarHBondContact O-N 3.27Å; L2325-E2328 VanDerWaalsContact O-N 3.11Å; L2325-D2329 PolarHBondContact O-N 2.78Å |
| 2326 | K | 87.2 | Confident | 82.9 | Confident | 67 Ų | 67 | 46.2 Ų | 46.2 | 29% | 0.291 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.9 | -32.4 | 179.9 | -70.6 | -68.4 | -171.6 | 156.7 | 0 | 113.3 | L2274 E2277 V2278 L2281 N2322 L2330 | L2274-K2326 HydrophobicContact CD2-CD 4.09Å; E2277-K2326 IonicContact OE1-NZ 3.16Å; E2277-K2326 WeakPolarHBondContact OE2-CD 3.47Å; E2277-K2326 WeakPolarHBondContact OE2-CE 3.38Å; E2277-K2326 IonicContact OE2-NZ 2.78Å; E2277-K2326 PolarHBondContact OE2-NZ 3.03Å; V2278-K2326 HydrophobicContact CG2-CB 3.98Å; L2281-K2326 HydrophobicContact CD1-CB 4.26Å; L2281-K2326 HydrophobicContact CD1-CG 4.03Å; N2322-K2326 WeakPolarHBondContact O-CB 3.28Å; N2322-K2326 WeakPolarHBondContact O-CG 3.39Å; N2322-K2326 PolarHBondContact O-N 2.91Å; K2326-L2330 VanDerWaalsContact O-CB 3.28Å; K2326-L2330 WeakPolarHBondContact O-CB 3.2Å; K2326-L2330 PolarHBondContact O-N 3.12Å; K2326-L2330 VanDerWaalsContact O-N 3.08Å |
| 2327 | N | 87.8 | Confident | 81.8 | Confident | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.027 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -73.9 | -32.7 | 173.5 | 177.6 | 70 | 0 | 0 | 0 | 112.7 | I1829 N1832 V2278 L2323 S2324 L2325 L2330 H2331 | I1829-N2327 WeakPolarHBondContact CA-OD1 3.39Å; I1829-N2327 HydrophobicContact CG1-CB 4.09Å; I1829-N2327 WeakPolarHBondContact CG1-ND2 3.36Å; I1829-N2327 WeakPolarHBondContact CG1-OD1 3.3Å; N1832-N2327 PolarHBondContact ND2-O 2.6Å; N1832-N2327 PolarHBondContact ND2-OD1 3.21Å; V2278-N2327 HydrophobicContact CG2-CB 4.46Å; L2323-N2327 VanDerWaalsContact O-CB 3.3Å; L2323-N2327 WeakPolarHBondContact O-CB 3.32Å; L2323-N2327 PolarHBondContact O-N 3.17Å; S2324-N2327 PolarHBondContact O-N 2.99Å; L2325-N2327 VanDerWaalsContact C-N 3.32Å; L2325-N2327 PolarHBondContact O-N 2.95Å; N2327-L2330 PolarHBondContact O-N 2.76Å; N2327-H2331 WeakPolarHBondContact O-CB 3.36Å; N2327-H2331 PolarHBondContact O-N 2.81Å |
| 2328 | E | 82 | Confident | 80.5 | Confident | 29.5 Ų | 29.5 | 45.2 Ų | 45.2 | 14% | 0.138 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.4 | -47 | 172.1 | -81.1 | 166.5 | -134.6 | 0 | 0 | 110.8 | K1825 S2248 L2252 S2324 L2325 L2330 H2331 I2332 | K1825-E2328 IonicContact NZ-OE1 3.88Å; K1825-E2328 PolarHBondContact NZ-OE1 2.89Å; S2248-E2328 WeakPolarHBondContact CB-OE2 3.34Å; S2248-E2328 PolarHBondContact OG-OE2 3.37Å; L2252-E2328 HydrophobicContact CD2-CB 3.9Å; L2252-E2328 HydrophobicContact CD2-CG 4.37Å; S2324-E2328 WeakPolarHBondContact O-CB 3.45Å; S2324-E2328 WeakPolarHBondContact O-CG 3.36Å; S2324-E2328 PolarHBondContact O-N 3.28Å; S2324-E2328 PolarHBondContact OG-OE1 3.06Å; L2325-E2328 WeakPolarHBondContact O-CB 3.23Å; L2325-E2328 PolarHBondContact O-N 3.27Å; L2325-E2328 VanDerWaalsContact O-N 3.11Å; E2328-L2330 VanDerWaalsContact C-N 3.34Å; E2328-L2330 PolarHBondContact O-N 3.14Å; E2328-H2331 PolarHBondContact O-N 3.13Å; E2328-I2332 PolarHBondContact O-N 3.08Å; E2328-I2332 VanDerWaalsContact O-N 3.13Å |
| 2329 | D | 83.8 | Confident | 78.9 | Confident | 40.5 Ų | 40.5 | 40.9 Ų | 40.9 | 22% | 0.217 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.6 | -48.1 | 172.3 | -72.1 | -10 | 0 | 0 | 0 | 111.7 | F2255 L2274 L2325 H2331 I2332 A2333 | F2255-D2329 HydrophobicContact CD2-CB 4.34Å; F2255-D2329 VanDerWaalsContact CD2-OD1 3.3Å; F2255-D2329 WeakPolarHBondContact CD2-OD1 3.34Å; F2255-D2329 HydrophobicContact CE1-CB 4.18Å; F2255-D2329 VanDerWaalsContact CE1-O 3.3Å; F2255-D2329 WeakPolarHBondContact CE1-O 3.26Å; F2255-D2329 HydrophobicContact CE2-CB 3.91Å; F2255-D2329 WeakPolarHBondContact CE2-OD1 3.48Å; F2255-D2329 HydrophobicContact CZ-CB 3.68Å; L2274-D2329 HydrophobicContact CD1-CB 4.3Å; L2274-D2329 HydrophobicContact CD2-CB 4.49Å; L2325-D2329 PolarHBondContact O-N 2.78Å; D2329-H2331 VanDerWaalsContact C-N 3.31Å; D2329-H2331 PolarHBondContact O-N 2.86Å; D2329-I2332 PolarHBondContact O-N 3.11Å; D2329-A2333 WeakPolarHBondContact O-CB 3.39Å; D2329-A2333 PolarHBondContact O-N 3.27Å |
| 2330 | L | 86.1 | Confident | 76.9 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.8 | -40.8 | 177.3 | 176.2 | 61.6 | 0 | 0 | 0 | 112.1 | N1832 L1833 I2271 L2274 Q2275 V2278 K2326 N2327 E2328 I2332 A2333 I2334 | N1832-L2330 HydrophobicContact CB-CD2 3.9Å; N1832-L2330 HydrophobicContact CB-CG 4.27Å; L1833-L2330 HydrophobicContact CD2-CD2 4.49Å; I2271-L2330 HydrophobicContact CG2-CD1 4.02Å; L2274-L2330 HydrophobicContact CB-CB 4.26Å; L2274-L2330 HydrophobicContact CB-CD1 3.93Å; L2274-L2330 HydrophobicContact CD1-CB 4.43Å; Q2275-L2330 HydrophobicContact CG-CD1 3.78Å; Q2275-L2330 HydrophobicContact CG-CD2 3.95Å; Q2275-L2330 HydrophobicContact CG-CG 4.46Å; V2278-L2330 HydrophobicContact CB-CD2 4.41Å; V2278-L2330 HydrophobicContact CG2-CD2 4.13Å; K2326-L2330 VanDerWaalsContact O-CB 3.28Å; K2326-L2330 WeakPolarHBondContact O-CB 3.2Å; K2326-L2330 PolarHBondContact O-N 3.12Å; K2326-L2330 VanDerWaalsContact O-N 3.08Å; N2327-L2330 PolarHBondContact O-N 2.76Å; E2328-L2330 VanDerWaalsContact C-N 3.34Å; E2328-L2330 PolarHBondContact O-N 3.14Å; L2330-I2332 VanDerWaalsContact C-N 3.33Å; L2330-I2332 PolarHBondContact O-N 3.35Å; L2330-A2333 PolarHBondContact O-N 2.82Å; L2330-I2334 HydrophobicContact CD1-CD1 3.84Å; L2330-I2334 HydrophobicContact CD1-CG1 4.15Å; L2330-I2334 HydrophobicContact CG-CD1 3.92Å; L2330-I2334 WeakPolarHBondContact O-CB 3.1Å; L2330-I2334 VanDerWaalsContact O-CG1 3.29Å; L2330-I2334 WeakPolarHBondContact O-CG1 3.48Å; L2330-I2334 PolarHBondContact O-N 2.77Å |
| 2331 | H | 80.5 | Confident | 75 | Confident | 65 Ų | 65 | 46.1 Ų | 46.1 | 30% | 0.301 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.6 | -40.5 | -179.8 | -167.1 | 56.1 | 0 | 0 | 0 | 111.8 | I1828 N1832 N2327 E2328 D2329 R2335 | I1828-H2331 HydrophobicContact CG2-CB 4.35Å; N1832-H2331 WeakPolarHBondContact ND2-CB 3.31Å; N1832-H2331 PolarHBondContact OD1-ND1 3.13Å; N2327-H2331 WeakPolarHBondContact O-CB 3.36Å; N2327-H2331 PolarHBondContact O-N 2.81Å; E2328-H2331 PolarHBondContact O-N 3.13Å; D2329-H2331 VanDerWaalsContact C-N 3.31Å; D2329-H2331 PolarHBondContact O-N 2.86Å; H2331-R2335 WeakPolarHBondContact O-CB 3.37Å; H2331-R2335 PolarHBondContact O-N 3.18Å |
| 2332 | I | 73.6 | Confident | 73.2 | Confident | 17 Ų | 17 | 48.5 Ų | 48.5 | 9% | 0.087 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.4 | -46.5 | 174.2 | -59.5 | 161.4 | 0 | 0 | 0 | 110.7 | L2252 F2255 R2256 E2328 D2329 L2330 I2334 R2335 E2336 | L2252-I2332 HydrophobicContact CB-CD1 3.73Å; L2252-I2332 HydrophobicContact CB-CG1 4.45Å; L2252-I2332 HydrophobicContact CD2-CD1 3.41Å; L2252-I2332 HydrophobicContact CD2-CG1 4.03Å; L2252-I2332 HydrophobicContact CG-CD1 4.06Å; F2255-I2332 HydrophobicContact CB-CD1 3.96Å; F2255-I2332 HydrophobicContact CD1-CB 3.97Å; F2255-I2332 HydrophobicContact CD1-CD1 3.65Å; F2255-I2332 HydrophobicContact CD1-CG1 4.35Å; F2255-I2332 HydrophobicContact CD1-CG2 3.96Å; F2255-I2332 HydrophobicContact CE1-CB 4.25Å; F2255-I2332 HydrophobicContact CE1-CD1 4.33Å; F2255-I2332 HydrophobicContact CE1-CG2 4.38Å; F2255-I2332 HydrophobicContact CG-CD1 4.13Å; R2256-I2332 HydrophobicContact CB-CG2 4.21Å; R2256-I2332 HydrophobicContact CG-CG2 4.47Å; E2328-I2332 PolarHBondContact O-N 3.08Å; E2328-I2332 VanDerWaalsContact O-N 3.13Å; D2329-I2332 PolarHBondContact O-N 3.11Å; L2330-I2332 VanDerWaalsContact C-N 3.33Å; L2330-I2332 PolarHBondContact O-N 3.35Å; I2332-I2334 VanDerWaalsContact C-N 3.27Å; I2332-I2334 PolarHBondContact O-N 3.19Å; I2332-R2335 CarbonylContact O-C 3.44Å; I2332-R2335 WeakPolarHBondContact O-CA 3.19Å; I2332-R2335 PolarHBondContact O-N 2.8Å; I2332-E2336 HydrophobicContact CG2-CG 3.87Å; I2332-E2336 PolarHBondContact O-N 2.92Å |
| 2333 | A | 76.8 | Confident | 71.1 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.5 | -40.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | M2259 I2271 L2274 D2329 L2330 L2337 | M2259-A2333 HydrophobicContact CE-CB 4.03Å; I2271-A2333 HydrophobicContact CD1-CB 4.35Å; I2271-A2333 WeakPolarHBondContact CD1-O 3.34Å; I2271-A2333 HydrophobicContact CG1-CB 3.69Å; L2274-A2333 HydrophobicContact CD1-CB 4.44Å; D2329-A2333 WeakPolarHBondContact O-CB 3.39Å; D2329-A2333 PolarHBondContact O-N 3.27Å; L2330-A2333 PolarHBondContact O-N 2.82Å; A2333-L2337 WeakPolarHBondContact O-CB 3.37Å; A2333-L2337 PolarHBondContact O-N 3.1Å |
| 2334 | I | 75.4 | Confident | 69.1 | Low | 14.5 Ų | 14.5 | 57.1 Ų | 57.1 | 7% | 0.074 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.6 | -45.2 | 172.1 | -67.3 | 168.9 | 0 | 0 | 0 | 111.1 | N1832 A1837 I2271 L2330 I2332 L2337 F2338 | N1832-I2334 HydrophobicContact CB-CD1 4.01Å; A1837-I2334 HydrophobicContact CB-CD1 4.4Å; I2271-I2334 HydrophobicContact CG2-CG1 4.13Å; L2330-I2334 HydrophobicContact CD1-CD1 3.84Å; L2330-I2334 HydrophobicContact CD1-CG1 4.15Å; L2330-I2334 HydrophobicContact CG-CD1 3.92Å; L2330-I2334 WeakPolarHBondContact O-CB 3.1Å; L2330-I2334 VanDerWaalsContact O-CG1 3.29Å; L2330-I2334 WeakPolarHBondContact O-CG1 3.48Å; L2330-I2334 PolarHBondContact O-N 2.77Å; I2332-I2334 VanDerWaalsContact C-N 3.27Å; I2332-I2334 PolarHBondContact O-N 3.19Å; I2334-L2337 WeakPolarHBondContact O-CB 3.32Å; I2334-L2337 PolarHBondContact O-N 3.08Å; I2334-F2338 HydrophobicContact CG2-CD2 3.98Å; I2334-F2338 HydrophobicContact CG2-CE2 3.71Å; I2334-F2338 VanDerWaalsContact O-CD2 3.27Å; I2334-F2338 WeakPolarHBondContact O-CD2 3.49Å; I2334-F2338 PolarHBondContact O-N 2.88Å |
| 2335 | R | 69.7 | Low | 67.3 | Low | 122 Ų | 122 | 59.1 Ų | 59.1 | 46% | 0.46 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.3 | -43.3 | -178.1 | -169.6 | 173.2 | -171.1 | -178.1 | 2 | 113.1 | E2182 H2331 I2332 L2337 F2338 C2339 | E2182-R2335 IonicContact OE1-CZ 3.46Å; E2182-R2335 IonicContact OE1-NE 3.48Å; E2182-R2335 IonicContact OE1-NH2 2.67Å; E2182-R2335 PolarHBondContact OE1-NH2 2.94Å; H2331-R2335 WeakPolarHBondContact O-CB 3.37Å; H2331-R2335 PolarHBondContact O-N 3.18Å; I2332-R2335 CarbonylContact O-C 3.44Å; I2332-R2335 WeakPolarHBondContact O-CA 3.19Å; I2332-R2335 PolarHBondContact O-N 2.8Å; R2335-L2337 VanDerWaalsContact C-N 3.29Å; R2335-L2337 PolarHBondContact O-N 3.42Å; R2335-F2338 WeakPolarHBondContact O-CA 3.1Å; R2335-F2338 WeakPolarHBondContact O-CB 3.18Å; R2335-F2338 PolarHBondContact O-N 2.91Å; R2335-F2338 VanDerWaalsContact O-N 3.14Å; R2335-C2339 WeakPolarHBondContact O-CB 3.12Å; R2335-C2339 PolarHBondContact O-N 2.98Å; R2335-C2339 PolarHBondContact O-SG 3.24Å; R2335-C2339 VanDerWaalsContact O-SG 3.36Å |
| 2336 | E | 65.8 | Low | 65.9 | Low | 16.5 Ų | 16.5 | 55.6 Ų | 55.6 | 8% | 0.077 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.6 | -35.1 | 176.8 | -68.8 | -65.2 | 115.6 | 0 | 0 | 111.4 | R2256 Q2260 I2332 F2338 C2339 F2340 | R2256-E2336 WeakPolarHBondContact CD-OE1 3.23Å; R2256-E2336 HydrophobicContact CG-CG 4.13Å; R2256-E2336 WeakPolarHBondContact CG-OE1 3.38Å; R2256-E2336 VanDerWaalsContact CG-OE2 3.26Å; R2256-E2336 WeakPolarHBondContact CG-OE2 3.29Å; R2256-E2336 IonicContact CZ-OE1 3.23Å; R2256-E2336 VanDerWaalsContact CZ-OE1 3.24Å; R2256-E2336 IonicContact CZ-OE2 2.73Å; R2256-E2336 IonicContact NE-OE1 2.85Å; R2256-E2336 PolarHBondContact NE-OE1 2.89Å; R2256-E2336 IonicContact NE-OE2 2.75Å; R2256-E2336 PolarHBondContact NE-OE2 2.88Å; R2256-E2336 VanDerWaalsContact NE-OE2 3.11Å; R2256-E2336 IonicContact NH2-OE1 3.95Å; R2256-E2336 PolarHBondContact NH2-OE1 3.49Å; R2256-E2336 IonicContact NH2-OE2 3.14Å; Q2260-E2336 WeakPolarHBondContact CG-OE2 3.33Å; Q2260-E2336 PolarHBondContact NE2-OE2 3.33Å; I2332-E2336 HydrophobicContact CG2-CG 3.87Å; I2332-E2336 PolarHBondContact O-N 2.92Å; E2336-F2338 VanDerWaalsContact C-N 3.29Å; E2336-F2338 PolarHBondContact O-N 3.05Å; E2336-F2338 VanDerWaalsContact O-N 3.17Å; E2336-C2339 PolarHBondContact O-N 3.05Å; E2336-F2340 WeakPolarHBondContact O-CD2 3.48Å; E2336-F2340 WeakPolarHBondContact O-CE2 3.42Å; E2336-F2340 PolarHBondContact O-N 3.34Å |
| 2337 | L | 65.4 | Low | 64.4 | Low | 34 Ų | 34 | 52.9 Ų | 52.9 | 18% | 0.178 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59 | -34.6 | 172.1 | -168.9 | 77.4 | 0 | 0 | 0 | 112.1 | V1841 L2264 L2267 I2271 A2333 I2334 R2335 | V1841-L2337 HydrophobicContact CG2-CD2 3.94Å; L2264-L2337 HydrophobicContact CD2-CD1 4.2Å; L2267-L2337 HydrophobicContact CB-CD1 4.02Å; L2267-L2337 HydrophobicContact CD1-CD1 4.32Å; I2271-L2337 HydrophobicContact CD1-CB 4.29Å; I2271-L2337 HydrophobicContact CD1-CD1 4.19Å; I2271-L2337 HydrophobicContact CD1-CD2 4Å; I2271-L2337 HydrophobicContact CD1-CG 4.38Å; A2333-L2337 WeakPolarHBondContact O-CB 3.37Å; A2333-L2337 PolarHBondContact O-N 3.1Å; I2334-L2337 WeakPolarHBondContact O-CB 3.32Å; I2334-L2337 PolarHBondContact O-N 3.08Å; R2335-L2337 VanDerWaalsContact C-N 3.29Å; R2335-L2337 PolarHBondContact O-N 3.42Å |
| 2338 | F | 59.2 | Low | 63.3 | Low | 78.5 Ų | 78.5 | 54.5 Ų | 54.5 | 34% | 0.344 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -81.7 | -37.2 | 175.7 | -75.4 | -67.6 | 0 | 0 | 0 | 113.3 | L1840 V1841 I2334 R2335 E2336 F2340 A2341 D2342 | L1840-F2338 HydrophobicContact CB-CE1 3.86Å; L1840-F2338 HydrophobicContact CB-CZ 4.29Å; L1840-F2338 HydrophobicContact CD1-CD1 4.24Å; L1840-F2338 HydrophobicContact CD1-CD2 4.23Å; L1840-F2338 HydrophobicContact CD1-CE1 3.77Å; L1840-F2338 VanDerWaalsContact CD1-CE1 3.47Å; L1840-F2338 HydrophobicContact CD1-CE2 3.44Å; L1840-F2338 VanDerWaalsContact CD1-CE2 3.44Å; L1840-F2338 HydrophobicContact CD1-CZ 3.7Å; L1840-F2338 HydrophobicContact CG-CZ 4.44Å; V1841-F2338 HydrophobicContact CG2-CZ 4.43Å; I2334-F2338 HydrophobicContact CG2-CD2 3.98Å; I2334-F2338 HydrophobicContact CG2-CE2 3.71Å; I2334-F2338 VanDerWaalsContact O-CD2 3.27Å; I2334-F2338 WeakPolarHBondContact O-CD2 3.49Å; I2334-F2338 PolarHBondContact O-N 2.88Å; R2335-F2338 WeakPolarHBondContact O-CA 3.1Å; R2335-F2338 WeakPolarHBondContact O-CB 3.18Å; R2335-F2338 PolarHBondContact O-N 2.91Å; R2335-F2338 VanDerWaalsContact O-N 3.14Å; E2336-F2338 VanDerWaalsContact C-N 3.29Å; E2336-F2338 PolarHBondContact O-N 3.05Å; E2336-F2338 VanDerWaalsContact O-N 3.17Å; F2338-F2340 VanDerWaalsContact C-N 3.27Å; F2338-F2340 PolarHBondContact O-N 3.48Å; F2338-F2340 VanDerWaalsContact O-N 3.17Å; F2338-A2341 WeakPolarHBondContact O-CB 3.43Å; F2338-A2341 PolarHBondContact O-N 3.07Å; F2338-D2342 PolarHBondContact O-N 3.24Å |
| 2339 | C | 54.6 | Low | 63.1 | Low | 41 Ų | 41 | 59.3 Ų | 59.3 | 28% | 0.277 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -73.8 | -0.2 | -177.1 | -70.2 | 0 | 0 | 0 | 0 | 114.1 | R2335 E2336 A2341 | R2335-C2339 WeakPolarHBondContact O-CB 3.12Å; R2335-C2339 PolarHBondContact O-N 2.98Å; R2335-C2339 PolarHBondContact O-SG 3.24Å; R2335-C2339 VanDerWaalsContact O-SG 3.36Å; E2336-C2339 PolarHBondContact O-N 3.05Å; C2339-A2341 VanDerWaalsContact C-N 3.26Å; C2339-A2341 PolarHBondContact O-N 2.9Å |
| 2340 | F | 48 | Very low | 63.2 | Low | 124.5 Ų | 124.5 | 59.9 Ų | 59.9 | 55% | 0.546 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -74.4 | -15.2 | 176.6 | -99.8 | -85.7 | 0 | 0 | 0 | 114.3 | L2264 L2267 E2336 F2338 | L2264-F2340 HydrophobicContact CD1-CD1 4.1Å; L2264-F2340 HydrophobicContact CD1-CE1 4.08Å; L2264-F2340 HydrophobicContact CD1-CE2 4.46Å; L2264-F2340 HydrophobicContact CD1-CZ 4.2Å; L2264-F2340 HydrophobicContact CD2-CB 4.29Å; L2264-F2340 HydrophobicContact CD2-CD1 3.97Å; L2264-F2340 HydrophobicContact CD2-CD2 3.9Å; L2264-F2340 HydrophobicContact CD2-CE1 4.36Å; L2264-F2340 HydrophobicContact CD2-CE2 3.82Å; L2264-F2340 VanDerWaalsContact CD2-CE2 3.46Å; L2264-F2340 HydrophobicContact CD2-CG 3.78Å; L2264-F2340 HydrophobicContact CD2-CZ 4.07Å; L2264-F2340 HydrophobicContact CG-CD1 4.37Å; L2264-F2340 HydrophobicContact CG-CE1 4.25Å; L2264-F2340 HydrophobicContact CG-CE2 3.97Å; L2264-F2340 HydrophobicContact CG-CZ 3.76Å; L2267-F2340 HydrophobicContact CD1-CE2 4.34Å; E2336-F2340 WeakPolarHBondContact O-CD2 3.48Å; E2336-F2340 WeakPolarHBondContact O-CE2 3.42Å; E2336-F2340 PolarHBondContact O-N 3.34Å; F2338-F2340 VanDerWaalsContact C-N 3.27Å; F2338-F2340 PolarHBondContact O-N 3.48Å; F2338-F2340 VanDerWaalsContact O-N 3.17Å |
| 2341 | A | 46.6 | Very low | 63.3 | Low | 66 Ų | 66 | 63.7 Ų | 63.7 | 55% | 0.545 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -79.2 | -122.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F2338 C2339 L2343 | F2338-A2341 WeakPolarHBondContact O-CB 3.43Å; F2338-A2341 PolarHBondContact O-N 3.07Å; C2339-A2341 VanDerWaalsContact C-N 3.26Å; C2339-A2341 PolarHBondContact O-N 2.9Å; A2341-L2343 VanDerWaalsContact C-N 3.27Å; A2341-L2343 PolarHBondContact O-N 2.82Å |
| 2342 | D | 46.1 | Very low | 63.8 | Low | 103 Ų | 103 | 61 Ų | 61 | 55% | 0.551 | 31% | 0.306 | S | S | * | . | trans | -90.7 | 77 | -171 | -101.2 | -48.5 | 0 | 0 | 0 | 115.2 | F2338 K2344 | F2338-D2342 PolarHBondContact O-N 3.24Å; D2342-K2344 PolarHBondContact O-N 3Å; D2342-K2344 WeakPolarHBondContact OD1-CE 3.42Å; D2342-K2344 IonicContact OD1-NZ 2.66Å; D2342-K2344 PolarHBondContact OD1-NZ 2.77Å | ||
| 2343 | L | 45.9 | Very low | 64.6 | Low | 112.5 Ų | 112.5 | 62.2 Ų | 62.2 | 59% | 0.589 | 31% | 0.314 | S | S | * | . | trans | -81.5 | 50.1 | 179.5 | -93 | 154 | 0 | 0 | 0 | 112.6 | A1981 A2341 S2345 A2346 | A1981-L2343 HydrophobicContact CB-CD1 4.2Å; A1981-L2343 HydrophobicContact CB-CD2 3.84Å; A1981-L2343 HydrophobicContact CB-CG 4.1Å; A2341-L2343 VanDerWaalsContact C-N 3.27Å; A2341-L2343 PolarHBondContact O-N 2.82Å; L2343-S2345 VanDerWaalsContact C-N 3.26Å; L2343-S2345 PolarHBondContact O-N 3.36Å; L2343-A2346 HydrophobicContact CB-CB 4.41Å; L2343-A2346 HydrophobicContact CD2-CB 3.87Å | ||
| 2344 | K | 45.8 | Very low | 65.3 | Low | 151.5 Ų | 151.5 | 62.9 Ų | 62.9 | 66% | 0.659 | 32% | 0.319 | S | S | * | . | trans | -103.3 | 60.5 | -179.5 | -70.2 | -175 | 177.9 | 152.1 | 0 | 114.1 | D2342 A2346 N2388 | D2342-K2344 PolarHBondContact O-N 3Å; D2342-K2344 WeakPolarHBondContact OD1-CE 3.42Å; D2342-K2344 IonicContact OD1-NZ 2.66Å; D2342-K2344 PolarHBondContact OD1-NZ 2.77Å; K2344-A2346 PolarHBondContact O-N 3.3Å; K2344-N2388 PolarHBondContact O-ND2 3.23Å | ||
| 2345 | S | 47.8 | Very low | 66.1 | Low | 68 Ų | 68 | 63.7 Ų | 63.7 | 48% | 0.476 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -92 | 17.3 | -179.8 | -170.3 | 0 | 0 | 0 | 0 | 113.7 | L2343 V2347 R2386 | L2343-S2345 VanDerWaalsContact C-N 3.26Å; L2343-S2345 PolarHBondContact O-N 3.36Å; S2345-V2347 PolarHBondContact O-N 3.07Å; S2345-R2386 WeakPolarHBondContact O-CD 3.48Å; S2345-R2386 PolarHBondContact OG-NH1 3.1Å |
| 2346 | A | 55.5 | Low | 67 | Low | 11.5 Ų | 11.5 | 59.8 Ų | 59.8 | 10% | 0.095 | 31% | 0.31 | C | S | . | . | trans | -64.1 | 134.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L2343 K2344 I2387 | L2343-A2346 HydrophobicContact CB-CB 4.41Å; L2343-A2346 HydrophobicContact CD2-CB 3.87Å; K2344-A2346 PolarHBondContact O-N 3.3Å; A2346-I2387 HydrophobicContact CB-CD1 3.91Å; A2346-I2387 HydrophobicContact CB-CG1 4.49Å; A2346-I2387 WeakPolarHBondContact O-CG1 3.11Å; A2346-I2387 PolarHBondContact O-N 3.11Å | ||
| 2347 | V | 55.2 | Low | 68.2 | Low | 10.5 Ų | 10.5 | 62.8 Ų | 62.8 | 6% | 0.064 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 135.7 | 173.8 | 170.7 | 0 | 0 | 0 | 0 | 108.7 | D2208 S2345 V2384 R2386 | D2208-V2347 HydrophobicContact CB-CB 4.41Å; D2208-V2347 HydrophobicContact CB-CG1 4.03Å; D2208-V2347 VanDerWaalsContact CG-CB 3.44Å; D2208-V2347 VanDerWaalsContact CG-CG1 3.46Å; D2208-V2347 VanDerWaalsContact OD1-CB 3.3Å; D2208-V2347 WeakPolarHBondContact OD1-CB 3.35Å; D2208-V2347 VanDerWaalsContact OD2-CB 3.26Å; D2208-V2347 WeakPolarHBondContact OD2-CB 3.27Å; D2208-V2347 VanDerWaalsContact OD2-CG1 3.3Å; D2208-V2347 WeakPolarHBondContact OD2-CG1 3.09Å; S2345-V2347 PolarHBondContact O-N 3.07Å; V2347-V2384 HydrophobicContact CB-CG1 4.22Å; V2347-V2384 HydrophobicContact CG1-CG1 3.6Å; V2347-V2384 HydrophobicContact CG2-CG1 3.56Å; V2347-R2386 HydrophobicContact CG2-CG 3.99Å |
| 2348 | A | 65.5 | Low | 69.5 | Low | 38 Ų | 38 | 61.6 Ų | 61.6 | 31% | 0.314 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -41.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | S2385 I2387 | A2348-S2385 WeakPolarHBondContact CA-O 3.4Å; A2348-S2385 WeakPolarHBondContact CB-O 2.99Å; A2348-S2385 PolarHBondContact N-O 2.96Å; A2348-I2387 HydrophobicContact CB-CG1 3.68Å |
| 2349 | R | 77.7 | Confident | 71 | Confident | 130 Ų | 130 | 60.1 Ų | 60.1 | 49% | 0.491 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 143.7 | 179.1 | -113.3 | 170.5 | -124.9 | 163.5 | -0.5 | 112 | D2209 F2351 S2385 | D2209-R2349 HydrophobicContact CB-CB 4.44Å; D2209-R2349 HydrophobicContact CB-CG 4.12Å; D2209-R2349 CarbonylContact O-C 3.55Å; D2209-R2349 VanDerWaalsContact O-CA 3.27Å; D2209-R2349 WeakPolarHBondContact O-CA 3.21Å; D2209-R2349 WeakPolarHBondContact O-CG 2.96Å; D2209-R2349 IonicContact OD2-CZ 3.87Å; D2209-R2349 IonicContact OD2-NE 3.93Å; D2209-R2349 PolarHBondContact OD2-NE 3.47Å; D2209-R2349 IonicContact OD2-NH2 2.62Å; D2209-R2349 PolarHBondContact OD2-NH2 2.8Å; R2349-F2351 HydrophobicContact CB-CE2 4.2Å; R2349-F2351 HydrophobicContact CG-CD2 4.12Å; R2349-F2351 HydrophobicContact CG-CE2 3.61Å; R2349-F2351 HydrophobicContact CG-CZ 4.08Å; R2349-S2385 PolarHBondContact N-O 2.66Å; R2349-S2385 PolarHBondContact O-N 2.88Å |
| 2350 | R | 85 | Confident | 72.8 | Confident | 53.5 Ų | 53.5 | 60.7 Ų | 60.7 | 20% | 0.202 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 133.8 | 173.3 | -172.5 | 174.6 | -59.9 | -177.9 | 3.2 | 109.8 | T1907 D2208 D2209 C2210 V2211 E2352 K2383 V2384 | T1907-R2350 VanDerWaalsContact OG1-CD 3.3Å; T1907-R2350 WeakPolarHBondContact OG1-CD 3.19Å; T1907-R2350 PolarHBondContact OG1-NH1 2.8Å; D2208-R2350 HydrophobicContact CB-CB 4.5Å; D2208-R2350 IonicContact OD2-CZ 2.94Å; D2208-R2350 IonicContact OD2-NE 3.75Å; D2208-R2350 PolarHBondContact OD2-NE 3.43Å; D2208-R2350 IonicContact OD2-NH1 3.68Å; D2208-R2350 IonicContact OD2-NH2 2.78Å; D2208-R2350 PolarHBondContact OD2-NH2 2.8Å; D2209-R2350 PolarHBondContact O-N 3.16Å; C2210-R2350 CarbonylContact C-O 3.58Å; C2210-R2350 VanDerWaalsContact CA-O 3.29Å; C2210-R2350 WeakPolarHBondContact CA-O 3.23Å; C2210-R2350 HydrophobicContact CB-CB 4.39Å; V2211-R2350 PolarHBondContact N-O 2.95Å; R2350-E2352 VanDerWaalsContact CD-OE1 3.32Å; R2350-E2352 WeakPolarHBondContact CD-OE1 3.15Å; R2350-E2352 HydrophobicContact CG-CG 4.28Å; R2350-K2383 CarbonylContact C-O 3.54Å; R2350-K2383 WeakPolarHBondContact CA-O 3.3Å; R2350-V2384 HydrophobicContact CG-CG2 4.17Å |
| 2351 | F | 88.6 | Confident | 74.9 | Confident | 80.5 Ų | 80.5 | 55.1 Ų | 55.1 | 35% | 0.353 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 131.8 | 172.8 | -67.2 | -89.9 | 0 | 0 | 0 | 108.9 | V2211 R2349 T2382 K2383 | V2211-F2351 HydrophobicContact CB-CD1 3.72Å; V2211-F2351 HydrophobicContact CB-CE1 3.98Å; V2211-F2351 HydrophobicContact CG1-CD1 4.14Å; V2211-F2351 HydrophobicContact CG1-CE1 4.22Å; V2211-F2351 HydrophobicContact CG2-CD1 4.22Å; V2211-F2351 HydrophobicContact CG2-CE1 3.97Å; V2211-F2351 CarbonylContact O-C 3.55Å; V2211-F2351 WeakPolarHBondContact O-CA 3.47Å; R2349-F2351 HydrophobicContact CB-CE2 4.2Å; R2349-F2351 HydrophobicContact CG-CD2 4.12Å; R2349-F2351 HydrophobicContact CG-CE2 3.61Å; R2349-F2351 HydrophobicContact CG-CZ 4.08Å; F2351-T2382 CarbonylContact O-C 3.54Å; F2351-T2382 VanDerWaalsContact O-CA 3.27Å; F2351-T2382 WeakPolarHBondContact O-CA 3.16Å; F2351-K2383 HydrophobicContact CB-CB 4.35Å; F2351-K2383 PolarHBondContact N-O 3.02Å; F2351-K2383 PolarHBondContact O-N 2.94Å |
| 2352 | E | 90.9 | Very high | 77 | Confident | 8.5 Ų | 8.5 | 52 Ų | 52 | 4% | 0.04 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 130.3 | -180 | -66.6 | 167.9 | 174.9 | 0 | 0 | 108.2 | L1906 T1907 G1908 V2211 T2212 L2213 R2350 Y2381 T2382 | L1906-E2352 HydrophobicContact CD2-CB 4.48Å; T1907-E2352 WeakPolarHBondContact CB-OE1 3.2Å; T1907-E2352 PolarHBondContact N-OE1 3.08Å; T1907-E2352 PolarHBondContact N-OE2 2.86Å; T1907-E2352 PolarHBondContact OG1-OE1 3.24Å; G1908-E2352 PolarHBondContact N-OE2 2.89Å; V2211-E2352 PolarHBondContact O-N 2.74Å; T2212-E2352 CarbonylContact C-O 3.53Å; T2212-E2352 VanDerWaalsContact CA-O 3.31Å; T2212-E2352 WeakPolarHBondContact CA-O 3.18Å; T2212-E2352 HydrophobicContact CG2-CB 3.91Å; T2212-E2352 WeakPolarHBondContact CG2-OE2 2.84Å; T2212-E2352 PolarHBondContact OG1-OE2 3.17Å; L2213-E2352 PolarHBondContact N-O 2.72Å; R2350-E2352 VanDerWaalsContact CD-OE1 3.32Å; R2350-E2352 WeakPolarHBondContact CD-OE1 3.15Å; R2350-E2352 HydrophobicContact CG-CG 4.28Å; E2352-Y2381 CarbonylContact C-O 3.53Å; E2352-Y2381 WeakPolarHBondContact CA-O 3.1Å; E2352-T2382 HydrophobicContact CG-CG2 4.11Å |
| 2353 | V | 91.2 | Very high | 78.9 | Confident | 41.5 Ų | 41.5 | 47.4 Ų | 47.4 | 25% | 0.252 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 114.9 | 173.2 | -176.1 | 0 | 0 | 0 | 0 | 107.9 | L2213 F2379 L2380 Y2381 | L2213-V2353 HydrophobicContact CB-CG2 4.43Å; L2213-V2353 HydrophobicContact CD2-CG1 4.27Å; L2213-V2353 CarbonylContact O-C 3.49Å; L2213-V2353 WeakPolarHBondContact O-CA 3.39Å; V2353-F2379 HydrophobicContact CB-CE1 4.34Å; V2353-F2379 HydrophobicContact CG1-CE1 4.04Å; V2353-L2380 WeakPolarHBondContact O-CA 3.23Å; V2353-Y2381 PolarHBondContact N-O 3.36Å; V2353-Y2381 PolarHBondContact O-N 3.32Å |
| 2354 | S | 91.2 | Very high | 80.6 | Confident | 15 Ų | 15 | 45.8 Ų | 45.8 | 11% | 0.105 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 131.2 | -180 | -174.5 | 0 | 0 | 0 | 0 | 110.5 | L2213 I2214 H2215 F2379 | L2213-S2354 PolarHBondContact O-N 2.88Å; I2214-S2354 WeakPolarHBondContact CA-O 3.41Å; H2215-S2354 PolarHBondContact N-O 3.18Å; S2354-F2379 CarbonylContact C-O 3.54Å; S2354-F2379 VanDerWaalsContact CA-O 3.31Å; S2354-F2379 WeakPolarHBondContact CA-O 3.43Å |
| 2355 | I | 91.5 | Very high | 81.9 | Confident | 31.5 Ų | 31.5 | 41.1 Ų | 41.1 | 16% | 0.162 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 115 | 172.5 | -49.6 | 171.3 | 0 | 0 | 0 | 107.8 | H2215 L2218 A2358 N2378 F2379 | H2215-I2355 HydrophobicContact CB-CG1 4.36Å; H2215-I2355 HydrophobicContact CB-CG2 4.24Å; H2215-I2355 VanDerWaalsContact O-CA 3.3Å; H2215-I2355 WeakPolarHBondContact O-CA 3.24Å; L2218-I2355 HydrophobicContact CB-CG2 4.41Å; L2218-I2355 HydrophobicContact CD1-CD1 3.99Å; L2218-I2355 HydrophobicContact CD1-CG1 4.28Å; L2218-I2355 HydrophobicContact CD1-CG2 3.96Å; I2355-A2358 HydrophobicContact CG2-CB 3.82Å; I2355-N2378 CarbonylContact O-C 3.53Å; I2355-N2378 WeakPolarHBondContact O-CA 3.32Å; I2355-F2379 HydrophobicContact CB-CB 4.15Å; I2355-F2379 HydrophobicContact CB-CD1 4.19Å; I2355-F2379 HydrophobicContact CD1-CD1 3.85Å; I2355-F2379 HydrophobicContact CD1-CE1 4.23Å; I2355-F2379 HydrophobicContact CD1-CG 4.34Å; I2355-F2379 HydrophobicContact CG1-CB 4.5Å; I2355-F2379 HydrophobicContact CG1-CD1 3.86Å; I2355-F2379 HydrophobicContact CG1-CE1 4.42Å; I2355-F2379 HydrophobicContact CG1-CG 4.45Å; I2355-F2379 PolarHBondContact N-O 2.9Å; I2355-F2379 PolarHBondContact O-N 3.01Å |
| 2356 | E | 89.2 | Confident | 82.9 | Confident | 39 Ų | 39 | 42.4 Ų | 42.4 | 18% | 0.182 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | -47.4 | -171.7 | -55.1 | 174.1 | 149.1 | 0 | 0 | 110.9 | R1903 H2215 P2216 E2377 N2378 | R1903-E2356 VanDerWaalsContact CD-OE1 3.31Å; R1903-E2356 WeakPolarHBondContact CD-OE1 3.22Å; R1903-E2356 IonicContact CZ-OE1 2.88Å; R1903-E2356 VanDerWaalsContact CZ-OE1 3.28Å; R1903-E2356 IonicContact CZ-OE2 3.81Å; R1903-E2356 IonicContact NE-OE1 2.73Å; R1903-E2356 PolarHBondContact NE-OE1 3.07Å; R1903-E2356 IonicContact NH1-OE1 2.71Å; R1903-E2356 PolarHBondContact NH1-OE1 3.01Å; R1903-E2356 IonicContact NH1-OE2 3.16Å; R1903-E2356 PolarHBondContact NH1-OE2 3.04Å; R1903-E2356 VanDerWaalsContact NH1-OE2 3.09Å; H2215-E2356 PolarHBondContact O-N 3.1Å; H2215-E2356 VanDerWaalsContact O-N 3.1Å; P2216-E2356 WeakPolarHBondContact CA-OE2 3.39Å; P2216-E2356 VanDerWaalsContact CB-OE2 3.3Å; P2216-E2356 WeakPolarHBondContact CB-OE2 3.35Å; P2216-E2356 WeakPolarHBondContact O-CB 3.4Å; E2356-E2377 CarbonylContact O-C 3.49Å; E2356-E2377 WeakPolarHBondContact O-CA 3.26Å; E2356-N2378 PolarHBondContact O-N 2.87Å |
| 2357 | E | 91.3 | Very high | 83.6 | Confident | 80 Ų | 80 | 42.3 Ų | 42.3 | 37% | 0.374 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 128 | 172.9 | -169.3 | -168.8 | 172 | 0 | 0 | 110.3 | P2216 K2217 L2218 | P2216-E2357 PolarHBondContact O-N 2.81Å; K2217-E2357 CarbonylContact C-O 3.56Å; K2217-E2357 WeakPolarHBondContact CA-O 3.32Å; K2217-E2357 HydrophobicContact CG-CB 4.44Å; K2217-E2357 IonicContact NZ-OE1 3.52Å; K2217-E2357 PolarHBondContact NZ-OE1 3.47Å; K2217-E2357 IonicContact NZ-OE2 3.37Å; K2217-E2357 PolarHBondContact NZ-OE2 3.43Å; L2218-E2357 PolarHBondContact N-O 3.11Å |
| 2358 | A | 92.4 | Very high | 84.3 | Confident | 8.5 Ų | 8.5 | 50 Ų | 50 | 7% | 0.07 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 131.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L2218 I2355 Q2375 L2376 | L2218-A2358 HydrophobicContact CB-CB 4.13Å; L2218-A2358 CarbonylContact O-C 3.55Å; L2218-A2358 VanDerWaalsContact O-CA 3.29Å; L2218-A2358 WeakPolarHBondContact O-CA 3.42Å; I2355-A2358 HydrophobicContact CG2-CB 3.82Å; A2358-Q2375 WeakPolarHBondContact O-CA 2.93Å; A2358-L2376 HydrophobicContact CB-CB 4.27Å; A2358-L2376 HydrophobicContact CB-CD1 4.46Å; A2358-L2376 PolarHBondContact N-O 3.02Å; A2358-L2376 PolarHBondContact O-N 3.09Å |
| 2359 | Q | 92.1 | Very high | 84.8 | Confident | 47.5 Ų | 47.5 | 53.2 Ų | 53.2 | 22% | 0.222 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 117.3 | 174.2 | -179.6 | 168.9 | -70.2 | 0 | 0 | 109.2 | L2218 D2219 I2220 Q2373 L2374 Q2375 | L2218-Q2359 PolarHBondContact O-N 3.11Å; D2219-Q2359 CarbonylContact C-O 3.38Å; D2219-Q2359 WeakPolarHBondContact CA-O 3.3Å; I2220-Q2359 PolarHBondContact N-O 3.22Å; Q2359-Q2373 HydrophobicContact CG-CG 4.07Å; Q2359-Q2373 VanDerWaalsContact OE1-NE2 3.15Å; Q2359-L2374 CarbonylContact C-O 3.57Å; Q2359-L2374 WeakPolarHBondContact CA-O 3.4Å; Q2359-Q2375 HydrophobicContact CG-CG 4.4Å |
| 2360 | W | 92.3 | Very high | 84.9 | Confident | 53.5 Ų | 53.5 | 48.2 Ų | 48.2 | 20% | 0.203 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 106.2 | -179.2 | -174.9 | 18.3 | 0 | 0 | 0 | 111.6 | I2220 T2222 Y2227 L2362 Q2373 L2374 F2488 | I2220-W2360 HydrophobicContact CB-CB 4.35Å; I2220-W2360 HydrophobicContact CB-CG 4.2Å; I2220-W2360 HydrophobicContact CD1-CG 4.5Å; I2220-W2360 VanDerWaalsContact CG2-CD1 3.42Å; I2220-W2360 HydrophobicContact CG2-CG 4.27Å; I2220-W2360 CarbonylContact O-C 3.53Å; I2220-W2360 WeakPolarHBondContact O-CA 3.36Å; T2222-W2360 PolarHBondContact OG1-NE1 2.88Å; Y2227-W2360 HydrophobicContact CD2-CH2 4.08Å; Y2227-W2360 AromaticContact CD2-CZ2 3.73Å; Y2227-W2360 HydrophobicContact CD2-CZ2 3.73Å; Y2227-W2360 AromaticContact CE2-CH2 3.74Å; Y2227-W2360 HydrophobicContact CE2-CH2 3.74Å; Y2227-W2360 AromaticContact CE2-CZ2 3.9Å; Y2227-W2360 HydrophobicContact CE2-CZ2 3.9Å; W2360-L2362 HydrophobicContact CD2-CD2 4.06Å; W2360-L2362 VanDerWaalsContact CE2-CD2 3.43Å; W2360-L2362 HydrophobicContact CG-CD2 4.43Å; W2360-L2362 HydrophobicContact CH2-CD2 4.38Å; W2360-L2362 HydrophobicContact CZ2-CD2 3.62Å; W2360-Q2373 CarbonylContact O-C 3.57Å; W2360-Q2373 WeakPolarHBondContact O-CA 3.2Å; W2360-L2374 HydrophobicContact CB-CB 4.41Å; W2360-L2374 HydrophobicContact CB-CD1 4.5Å; W2360-L2374 HydrophobicContact CD2-CD1 4.21Å; W2360-L2374 HydrophobicContact CE3-CD1 4.15Å; W2360-L2374 HydrophobicContact CG-CD1 4.49Å; W2360-L2374 PolarHBondContact N-O 2.81Å; W2360-L2374 PolarHBondContact O-N 3.48Å; W2360-F2488 HydrophobicContact CH2-CE1 4.08Å; W2360-F2488 HydrophobicContact CH2-CZ 4.38Å |
| 2361 | C | 91.1 | Very high | 85 | Confident | 8 Ų | 8 | 46.4 Ų | 46.4 | 5% | 0.054 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 122.2 | 174.7 | -61.1 | 0 | 0 | 0 | 0 | 110.3 | I2220 H2221 T2222 A2372 | I2220-C2361 PolarHBondContact O-N 3.13Å; H2221-C2361 WeakPolarHBondContact CA-O 3.37Å; H2221-C2361 PolarHBondContact CE1-SG 2.9Å; H2221-C2361 WeakPolarHBondContact ND1-CB 3.41Å; H2221-C2361 PolarHBondContact NE2-SG 3.3Å; H2221-C2361 VanDerWaalsContact NE2-SG 3.37Å; T2222-C2361 PolarHBondContact N-O 3.22Å; T2222-C2361 VanDerWaalsContact N-O 3.07Å; C2361-A2372 CarbonylContact C-O 3.57Å; C2361-A2372 WeakPolarHBondContact CA-O 3.42Å |
| 2362 | L | 90.9 | Very high | 85.1 | Confident | 0.5 Ų | 0.5 | 42.6 Ų | 42.6 | 0% | 0.003 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 129.6 | 170.9 | -54.3 | -176.5 | 0 | 0 | 0 | 108.8 | W2360 G2370 L2371 A2372 L2374 M2484 F2487 F2488 | W2360-L2362 HydrophobicContact CD2-CD2 4.06Å; W2360-L2362 VanDerWaalsContact CE2-CD2 3.43Å; W2360-L2362 HydrophobicContact CG-CD2 4.43Å; W2360-L2362 HydrophobicContact CH2-CD2 4.38Å; W2360-L2362 HydrophobicContact CZ2-CD2 3.62Å; L2362-G2370 CarbonylContact O-C 3.56Å; L2362-G2370 WeakPolarHBondContact O-CA 3.41Å; L2362-L2371 HydrophobicContact CB-CB 4.43Å; L2362-L2371 PolarHBondContact O-N 3Å; L2362-A2372 HydrophobicContact CD1-CB 4.36Å; L2362-A2372 PolarHBondContact N-O 3.28Å; L2362-L2374 HydrophobicContact CD1-CD1 4.25Å; L2362-L2374 HydrophobicContact CG-CD1 4.22Å; L2362-M2484 HydrophobicContact CD1-CE 3.73Å; L2362-M2484 HydrophobicContact CD1-SD 3.84Å; L2362-F2487 HydrophobicContact CB-CE2 4.3Å; L2362-F2487 HydrophobicContact CB-CZ 4.3Å; L2362-F2487 HydrophobicContact CD1-CD1 4.19Å; L2362-F2487 HydrophobicContact CD1-CE1 4.23Å; L2362-F2487 HydrophobicContact CD2-CE1 3.75Å; L2362-F2487 HydrophobicContact CD2-CZ 3.81Å; L2362-F2487 HydrophobicContact CG-CE1 4.44Å; L2362-F2487 HydrophobicContact CG-CZ 4.47Å; L2362-F2488 HydrophobicContact CD1-CE2 4.15Å; L2362-F2488 HydrophobicContact CD1-CZ 3.9Å |
| 2363 | T | 86.7 | Confident | 85.2 | Confident | 6.5 Ų | 6.5 | 43.7 Ų | 43.7 | 4% | 0.04 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 161.8 | 179.5 | 63.5 | 0 | 0 | 0 | 0 | 112.2 | T2222 S2223 L2369 | T2222-T2363 PolarHBondContact O-N 3.23Å; T2222-T2363 PolarHBondContact O-OG1 2.92Å; S2223-T2363 WeakPolarHBondContact CA-OG1 3.35Å; S2223-T2363 PolarHBondContact N-OG1 2.96Å; T2363-L2369 CarbonylContact C-O 3.57Å; T2363-L2369 VanDerWaalsContact CA-O 3.24Å; T2363-L2369 WeakPolarHBondContact CA-O 3.32Å; T2363-L2369 WeakPolarHBondContact CB-O 3.44Å |
| 2364 | E | 81.8 | Confident | 85.2 | Confident | 78.5 Ų | 78.5 | 42.9 Ų | 42.9 | 37% | 0.367 | 23% | 0.228 | S | C | . | . | trans | -64.7 | 171.7 | 165.7 | -71.7 | -166.5 | 159.3 | 0 | 0 | 112.2 | S2223 N2366 G2367 L2369 L2371 | S2223-E2364 WeakPolarHBondContact CB-O 3.39Å; E2364-N2366 WeakPolarHBondContact CB-OD1 3.4Å; E2364-N2366 PolarHBondContact O-N 2.97Å; E2364-N2366 VanDerWaalsContact O-N 3.15Å; E2364-N2366 PolarHBondContact OE2-ND2 2.75Å; E2364-G2367 PolarHBondContact O-N 2.86Å; E2364-L2369 HydrophobicContact CB-CB 4.48Å; E2364-L2369 HydrophobicContact CG-CB 4.25Å; E2364-L2369 PolarHBondContact N-O 3.12Å; E2364-L2371 HydrophobicContact CG-CD1 4.25Å; E2364-L2371 HydrophobicContact CG-CD2 3.54Å; E2364-L2371 VanDerWaalsContact CG-CD2 3.47Å; E2364-L2371 HydrophobicContact CG-CG 3.98Å | ||
| 2365 | A | 72.9 | Confident | 85.3 | Confident | 52 Ų | 52 | 45 Ų | 45 | 43% | 0.43 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -28.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | G2367 | A2365-G2367 PolarHBondContact O-N 2.96Š|
| 2366 | N | 69 | Low | 85.3 | Confident | 96.5 Ų | 96.5 | 45.5 Ų | 45.5 | 52% | 0.516 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -8.5 | 175.1 | -1.1 | 16.4 | 0 | 0 | 0 | 113.5 | E2364 Q2368 L2369 | E2364-N2366 WeakPolarHBondContact CB-OD1 3.4Å; E2364-N2366 PolarHBondContact O-N 2.97Å; E2364-N2366 VanDerWaalsContact O-N 3.15Å; E2364-N2366 PolarHBondContact OE2-ND2 2.75Å; N2366-Q2368 PolarHBondContact O-N 2.93Å; N2366-Q2368 VanDerWaalsContact O-N 3.11Å; N2366-Q2368 PolarHBondContact OD1-N 3.47Å; N2366-L2369 PolarHBondContact OD1-N 2.87Å |
| 2367 | G | 68.9 | Low | 85.3 | Confident | 9 Ų | 9 | 48.2 Ų | 48.2 | 9% | 0.093 | 25% | 0.252 | C | S | . | . | S | Bend | trans | 71.4 | -8.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q2165 E2364 A2365 | Q2165-G2367 PolarHBondContact NE2-O 2.86Å; E2364-G2367 PolarHBondContact O-N 2.86Å; A2365-G2367 PolarHBondContact O-N 2.96Å |
| 2368 | Q | 70.6 | Confident | 85.2 | Confident | 172.5 Ų | 172.5 | 46.4 Ų | 46.4 | 81% | 0.806 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -94 | -37.7 | -172.2 | -69.8 | -179.5 | -18.7 | 0 | 0 | 113.8 | N2366 | N2366-Q2368 PolarHBondContact O-N 2.93Å; N2366-Q2368 VanDerWaalsContact O-N 3.11Å; N2366-Q2368 PolarHBondContact OD1-N 3.47Å |
| 2369 | L | 74.8 | Confident | 85.1 | Confident | 104.5 Ų | 104.5 | 48 Ų | 48 | 55% | 0.547 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -95 | 123.9 | -178 | -66.9 | 176.7 | 0 | 0 | 0 | 110.7 | T2363 E2364 N2366 | T2363-L2369 CarbonylContact C-O 3.57Å; T2363-L2369 VanDerWaalsContact CA-O 3.24Å; T2363-L2369 WeakPolarHBondContact CA-O 3.32Å; T2363-L2369 WeakPolarHBondContact CB-O 3.44Å; E2364-L2369 HydrophobicContact CB-CB 4.48Å; E2364-L2369 HydrophobicContact CG-CB 4.25Å; E2364-L2369 PolarHBondContact N-O 3.12Å; N2366-L2369 PolarHBondContact OD1-N 2.87Å |
| 2370 | G | 81.5 | Confident | 85.1 | Confident | 25.5 Ų | 25.5 | 47 Ų | 47 | 26% | 0.263 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 134.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L2362 L2405 | L2362-G2370 CarbonylContact O-C 3.56Å; L2362-G2370 WeakPolarHBondContact O-CA 3.41Å; G2370-L2405 CarbonylContact O-C 3.54Å; G2370-L2405 VanDerWaalsContact O-CB 3.22Å; G2370-L2405 WeakPolarHBondContact O-CB 3.25Å |
| 2371 | L | 86.9 | Confident | 85.1 | Confident | 16 Ų | 16 | 47.1 Ų | 47.1 | 8% | 0.084 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | -47.9 | 175.4 | -62.7 | 177.1 | 0 | 0 | 0 | 111 | L2362 E2364 L2405 L2406 T2483 F2487 | L2362-L2371 HydrophobicContact CB-CB 4.43Å; L2362-L2371 PolarHBondContact O-N 3Å; E2364-L2371 HydrophobicContact CG-CD1 4.25Å; E2364-L2371 HydrophobicContact CG-CD2 3.54Å; E2364-L2371 VanDerWaalsContact CG-CD2 3.47Å; E2364-L2371 HydrophobicContact CG-CG 3.98Å; L2371-L2405 PolarHBondContact O-N 3.49Å; L2371-L2405 VanDerWaalsContact O-N 3.08Å; L2371-L2406 HydrophobicContact CD2-CD2 3.72Å; L2371-T2483 HydrophobicContact CB-CG2 4.48Å; L2371-T2483 HydrophobicContact CD1-CG2 4.08Å; L2371-T2483 HydrophobicContact CD2-CG2 3.86Å; L2371-T2483 HydrophobicContact CG-CG2 4.38Å; L2371-F2487 HydrophobicContact CD1-CD2 4.02Å |
| 2372 | A | 90.1 | Very high | 85 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 156 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | C2361 L2362 I2403 F2480 M2484 | C2361-A2372 CarbonylContact C-O 3.57Å; C2361-A2372 WeakPolarHBondContact CA-O 3.42Å; L2362-A2372 HydrophobicContact CD1-CB 4.36Å; L2362-A2372 PolarHBondContact N-O 3.28Å; A2372-I2403 CarbonylContact C-O 3.58Å; A2372-I2403 VanDerWaalsContact CA-O 3.31Å; A2372-I2403 WeakPolarHBondContact CA-O 3.38Å; A2372-F2480 HydrophobicContact CB-CE2 3.71Å; A2372-F2480 HydrophobicContact CB-CZ 3.88Å; A2372-M2484 HydrophobicContact CB-CE 4.27Å; A2372-M2484 HydrophobicContact CB-SD 3.75Å |
| 2373 | Q | 92.2 | Very high | 84.9 | Confident | 31.5 Ų | 31.5 | 51 Ų | 51 | 15% | 0.147 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 124.1 | 174 | 172.2 | -177.2 | -5.5 | 0 | 0 | 109 | Q2359 W2360 Q2375 I2402 I2403 L2405 | Q2359-Q2373 HydrophobicContact CG-CG 4.07Å; Q2359-Q2373 VanDerWaalsContact OE1-NE2 3.15Å; W2360-Q2373 CarbonylContact O-C 3.57Å; W2360-Q2373 WeakPolarHBondContact O-CA 3.2Å; Q2373-Q2375 HydrophobicContact CG-CG 4.43Å; Q2373-I2402 CarbonylContact O-C 3.55Å; Q2373-I2402 WeakPolarHBondContact O-CA 3.39Å; Q2373-I2403 HydrophobicContact CB-CB 4.34Å; Q2373-I2403 PolarHBondContact N-O 3.38Å; Q2373-I2403 PolarHBondContact O-N 2.87Å; Q2373-L2405 HydrophobicContact CB-CD1 4.02Å; Q2373-L2405 HydrophobicContact CB-CG 4.44Å |
| 2374 | L | 92.3 | Very high | 84.8 | Confident | 24.5 Ų | 24.5 | 51.4 Ų | 51.4 | 13% | 0.128 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 129.5 | 173.6 | -61.2 | 103.9 | 0 | 0 | 0 | 108.7 | Q2359 W2360 L2362 I2402 | Q2359-L2374 CarbonylContact C-O 3.57Å; Q2359-L2374 WeakPolarHBondContact CA-O 3.4Å; W2360-L2374 HydrophobicContact CB-CB 4.41Å; W2360-L2374 HydrophobicContact CB-CD1 4.5Å; W2360-L2374 HydrophobicContact CD2-CD1 4.21Å; W2360-L2374 HydrophobicContact CE3-CD1 4.15Å; W2360-L2374 HydrophobicContact CG-CD1 4.49Å; W2360-L2374 PolarHBondContact N-O 2.81Å; W2360-L2374 PolarHBondContact O-N 3.48Å; L2362-L2374 HydrophobicContact CD1-CD1 4.25Å; L2362-L2374 HydrophobicContact CG-CD1 4.22Å; L2374-I2402 HydrophobicContact CD2-CD1 3.82Å; L2374-I2402 HydrophobicContact CD2-CG1 3.83Å; L2374-I2402 HydrophobicContact CG-CG1 4.36Å |
| 2375 | Q | 93.2 | Very high | 84.7 | Confident | 59 Ų | 59 | 49.4 Ų | 49.4 | 28% | 0.276 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 126.1 | 171.5 | -67.6 | 175.8 | -41.8 | 0 | 0 | 108.2 | A2358 Q2359 Q2373 L2400 K2401 | A2358-Q2375 WeakPolarHBondContact O-CA 2.93Å; Q2359-Q2375 HydrophobicContact CG-CG 4.4Å; Q2373-Q2375 HydrophobicContact CG-CG 4.43Å; Q2375-L2400 WeakPolarHBondContact O-CA 3.29Å; Q2375-K2401 HydrophobicContact CB-CB 4.31Å; Q2375-K2401 PolarHBondContact N-O 2.93Å; Q2375-K2401 PolarHBondContact O-N 3.28Å |
| 2376 | L | 91.6 | Very high | 84.6 | Confident | 42.5 Ų | 42.5 | 49.9 Ų | 49.9 | 22% | 0.223 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 128.9 | -176.2 | -57.5 | 170.8 | 0 | 0 | 0 | 108.1 | A2358 L2397 L2400 | A2358-L2376 HydrophobicContact CB-CB 4.27Å; A2358-L2376 HydrophobicContact CB-CD1 4.46Å; A2358-L2376 PolarHBondContact N-O 3.02Å; A2358-L2376 PolarHBondContact O-N 3.09Å; L2376-L2397 HydrophobicContact CB-CD1 4.17Å; L2376-L2397 HydrophobicContact CD2-CD1 3.91Å; L2376-L2397 HydrophobicContact CD2-CD2 4.18Å; L2376-L2400 HydrophobicContact CD2-CD1 3.41Å |
| 2377 | E | 89.9 | Confident | 84.3 | Confident | 95 Ų | 95 | 48.3 Ų | 48.3 | 44% | 0.444 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 137.3 | 176.2 | -52.6 | 172.7 | 154.5 | 0 | 0 | 110.5 | E2356 F2379 N2398 S2399 | E2356-E2377 CarbonylContact O-C 3.49Å; E2356-E2377 WeakPolarHBondContact O-CA 3.26Å; E2377-F2379 PolarHBondContact O-N 2.95Å; E2377-N2398 WeakPolarHBondContact O-CB 3.18Å; E2377-N2398 PolarHBondContact O-N 3.11Å; E2377-N2398 VanDerWaalsContact O-N 3.07Å; E2377-S2399 PolarHBondContact N-O 2.87Å; E2377-S2399 VanDerWaalsContact N-O 3.12Å; E2377-S2399 PolarHBondContact O-N 2.86Å; E2377-S2399 WeakPolarHBondContact OE2-CB 3.28Å; E2377-S2399 PolarHBondContact OE2-OG 2.93Å |
| 2378 | N | 87.9 | Confident | 83.8 | Confident | 43 Ų | 43 | 50.3 Ų | 50.3 | 23% | 0.23 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 45.5 | 64 | -178 | -53.3 | -80.1 | 0 | 0 | 0 | 112.1 | I2355 E2356 N2398 | I2355-N2378 CarbonylContact O-C 3.53Å; I2355-N2378 WeakPolarHBondContact O-CA 3.32Å; E2356-N2378 PolarHBondContact O-N 2.87Å; N2378-N2398 HydrophobicContact CB-CB 3.89Å; N2378-N2398 WeakPolarHBondContact CB-ND2 3.32Å; N2378-N2398 PolarHBondContact ND2-ND2 3.01Å; N2378-N2398 PolarHBondContact O-N 3.06Å |
| 2379 | F | 91.1 | Very high | 83.5 | Confident | 43 Ų | 43 | 45.8 Ų | 45.8 | 19% | 0.189 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 128.2 | 165.8 | 167.6 | -87.8 | 0 | 0 | 0 | 109.2 | V2353 S2354 I2355 E2377 F2395 E2396 L2397 | V2353-F2379 HydrophobicContact CB-CE1 4.34Å; V2353-F2379 HydrophobicContact CG1-CE1 4.04Å; S2354-F2379 CarbonylContact C-O 3.54Å; S2354-F2379 VanDerWaalsContact CA-O 3.31Å; S2354-F2379 WeakPolarHBondContact CA-O 3.43Å; I2355-F2379 HydrophobicContact CB-CB 4.15Å; I2355-F2379 HydrophobicContact CB-CD1 4.19Å; I2355-F2379 HydrophobicContact CD1-CD1 3.85Å; I2355-F2379 HydrophobicContact CD1-CE1 4.23Å; I2355-F2379 HydrophobicContact CD1-CG 4.34Å; I2355-F2379 HydrophobicContact CG1-CB 4.5Å; I2355-F2379 HydrophobicContact CG1-CD1 3.86Å; I2355-F2379 HydrophobicContact CG1-CE1 4.42Å; I2355-F2379 HydrophobicContact CG1-CG 4.45Å; I2355-F2379 PolarHBondContact N-O 2.9Å; I2355-F2379 PolarHBondContact O-N 3.01Å; E2377-F2379 PolarHBondContact O-N 2.95Å; F2379-F2395 HydrophobicContact CD2-CE2 4.19Å; F2379-F2395 HydrophobicContact CD2-CZ 4.46Å; F2379-F2395 AromaticContact CE2-CD2 3.97Å; F2379-F2395 HydrophobicContact CE2-CD2 4.07Å; F2379-F2395 AromaticContact CE2-CE2 3.56Å; F2379-F2395 HydrophobicContact CE2-CE2 3.56Å; F2379-F2395 VanDerWaalsContact CE2-CE2 3.48Å; F2379-F2395 HydrophobicContact CE2-CZ 4.26Å; F2379-F2395 HydrophobicContact CZ-CE2 4.22Å; F2379-E2396 WeakPolarHBondContact CA-O 3.1Å; F2379-L2397 HydrophobicContact CB-CD1 3.91Å; F2379-L2397 HydrophobicContact CB-CD2 3.8Å; F2379-L2397 HydrophobicContact CD2-CD2 3.69Å; F2379-L2397 HydrophobicContact CD2-CG 4.38Å; F2379-L2397 HydrophobicContact CG-CD2 4.22Å |
| 2380 | L | 91.4 | Very high | 83.3 | Confident | 26 Ų | 26 | 41.5 Ų | 41.5 | 14% | 0.136 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 121.1 | 172.6 | 177 | 60.9 | 0 | 0 | 0 | 109.7 | L1906 V2353 T2382 M2394 E2396 | L1906-L2380 HydrophobicContact CD2-CD1 3.77Å; L1906-L2380 HydrophobicContact CD2-CD2 4.4Å; V2353-L2380 WeakPolarHBondContact O-CA 3.23Å; L2380-T2382 HydrophobicContact CD1-CG2 3.96Å; L2380-T2382 HydrophobicContact CD2-CG2 4.38Å; L2380-T2382 HydrophobicContact CG-CG2 4.02Å; L2380-M2394 HydrophobicContact CD2-CE 4.25Å; L2380-E2396 HydrophobicContact CB-CB 4.32Å; L2380-E2396 PolarHBondContact N-O 2.67Å; L2380-E2396 PolarHBondContact O-N 2.98Å |
| 2381 | Y | 92.2 | Very high | 83.1 | Confident | 56 Ų | 56 | 40.6 Ų | 40.6 | 22% | 0.22 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 120.7 | 169.9 | 176.1 | -112.5 | 0 | 0 | 0 | 109.9 | E2352 V2353 K2383 H2393 M2394 F2395 | E2352-Y2381 CarbonylContact C-O 3.53Å; E2352-Y2381 WeakPolarHBondContact CA-O 3.1Å; V2353-Y2381 PolarHBondContact N-O 3.36Å; V2353-Y2381 PolarHBondContact O-N 3.32Å; Y2381-K2383 HydrophobicContact CE1-CB 4.22Å; Y2381-H2393 AromaticContact CE2-ND1 3.99Å; Y2381-H2393 AromaticContact CZ-ND1 3.86Å; Y2381-H2393 PolarHBondContact OH-CE1 2.59Å; Y2381-H2393 PolarHBondContact OH-ND1 2.97Å; Y2381-M2394 WeakPolarHBondContact CA-O 3.34Å; Y2381-M2394 VanDerWaalsContact CD2-O 3.3Å; Y2381-M2394 WeakPolarHBondContact CD2-O 3.33Å; Y2381-F2395 HydrophobicContact CD2-CB 4.38Å; Y2381-F2395 HydrophobicContact CD2-CD2 4.43Å |
| 2382 | T | 89.7 | Confident | 83 | Confident | 19 Ų | 19 | 41.8 Ų | 41.8 | 12% | 0.117 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 133.9 | 174.5 | 10.5 | 0 | 0 | 0 | 0 | 110.2 | F2351 E2352 L2380 V2384 H2393 M2394 | F2351-T2382 CarbonylContact O-C 3.54Å; F2351-T2382 VanDerWaalsContact O-CA 3.27Å; F2351-T2382 WeakPolarHBondContact O-CA 3.16Å; E2352-T2382 HydrophobicContact CG-CG2 4.11Å; L2380-T2382 HydrophobicContact CD1-CG2 3.96Å; L2380-T2382 HydrophobicContact CD2-CG2 4.38Å; L2380-T2382 HydrophobicContact CG-CG2 4.02Å; T2382-V2384 HydrophobicContact CG2-CG2 4.35Å; T2382-H2393 WeakPolarHBondContact O-CA 3.31Å; T2382-M2394 HydrophobicContact CG2-CE 4.06Å; T2382-M2394 PolarHBondContact N-O 2.93Å; T2382-M2394 PolarHBondContact O-N 2.81Å; T2382-M2394 WeakPolarHBondContact OG1-CB 3.39Å |
| 2383 | K | 89.3 | Confident | 83 | Confident | 71.5 Ų | 71.5 | 43.3 Ų | 43.3 | 31% | 0.311 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 115.4 | 172.9 | 178.6 | -175.9 | 179.7 | 179.7 | 0 | 109.5 | R2350 F2351 Y2381 S2385 E2392 H2393 | R2350-K2383 CarbonylContact C-O 3.54Å; R2350-K2383 WeakPolarHBondContact CA-O 3.3Å; F2351-K2383 HydrophobicContact CB-CB 4.35Å; F2351-K2383 PolarHBondContact N-O 3.02Å; F2351-K2383 PolarHBondContact O-N 2.94Å; Y2381-K2383 HydrophobicContact CE1-CB 4.22Å; K2383-S2385 WeakPolarHBondContact CE-OG 3.43Å; K2383-E2392 CarbonylContact C-O 3.57Å; K2383-E2392 WeakPolarHBondContact CA-O 3.34Å; K2383-H2393 VanDerWaalsContact CD-CE1 3.47Å; K2383-H2393 WeakPolarHBondContact CD-CE1 3.44Å; K2383-H2393 VanDerWaalsContact CE-CE1 3.5Å; K2383-H2393 WeakPolarHBondContact CE-CE1 3.35Å; K2383-H2393 WeakPolarHBondContact CE-NE2 3.48Å |
| 2384 | V | 83.9 | Confident | 82.9 | Confident | 14.5 Ų | 14.5 | 44.4 Ų | 44.4 | 9% | 0.088 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 131.7 | 173.6 | -176.6 | 0 | 0 | 0 | 0 | 108.3 | V2347 R2350 T2382 R2386 G2391 E2392 | V2347-V2384 HydrophobicContact CB-CG1 4.22Å; V2347-V2384 HydrophobicContact CG1-CG1 3.6Å; V2347-V2384 HydrophobicContact CG2-CG1 3.56Å; R2350-V2384 HydrophobicContact CG-CG2 4.17Å; T2382-V2384 HydrophobicContact CG2-CG2 4.35Å; V2384-R2386 HydrophobicContact CG1-CG 4.34Å; V2384-G2391 CarbonylContact O-C 3.59Å; V2384-G2391 VanDerWaalsContact O-CA 3.3Å; V2384-G2391 WeakPolarHBondContact O-CA 3.3Å; V2384-E2392 HydrophobicContact CB-CB 4.26Å; V2384-E2392 PolarHBondContact N-O 2.91Å; V2384-E2392 PolarHBondContact O-N 2.85Å |
| 2385 | S | 79.3 | Confident | 82.9 | Confident | 35 Ų | 35 | 45.7 Ų | 45.7 | 25% | 0.245 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 125.1 | 175.3 | -60.4 | 0 | 0 | 0 | 0 | 108.7 | A2348 R2349 K2383 | A2348-S2385 WeakPolarHBondContact CA-O 3.4Å; A2348-S2385 WeakPolarHBondContact CB-O 2.99Å; A2348-S2385 PolarHBondContact N-O 2.96Å; R2349-S2385 PolarHBondContact N-O 2.66Å; R2349-S2385 PolarHBondContact O-N 2.88Å; K2383-S2385 WeakPolarHBondContact CE-OG 3.43Å |
| 2386 | R | 71.6 | Confident | 82.8 | Confident | 63 Ų | 63 | 44.2 Ų | 44.2 | 24% | 0.238 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 159.1 | -173.4 | -55.4 | -168.1 | -175.3 | 141.8 | -2.5 | 112.4 | S2345 V2347 V2384 N2388 D2389 S2390 E2392 | S2345-R2386 WeakPolarHBondContact O-CD 3.48Å; S2345-R2386 PolarHBondContact OG-NH1 3.1Å; V2347-R2386 HydrophobicContact CG2-CG 3.99Å; V2384-R2386 HydrophobicContact CG1-CG 4.34Å; R2386-N2388 VanDerWaalsContact CB-OD1 3.3Å; R2386-N2388 WeakPolarHBondContact CB-OD1 3.5Å; R2386-N2388 PolarHBondContact O-N 3.07Å; R2386-N2388 VanDerWaalsContact O-N 3.09Å; R2386-D2389 WeakPolarHBondContact O-CA 3.44Å; R2386-D2389 PolarHBondContact O-N 3.11Å; R2386-D2389 VanDerWaalsContact O-N 3.1Å; R2386-S2390 WeakPolarHBondContact CB-OG 3.42Å; R2386-S2390 WeakPolarHBondContact CD-OG 3.45Å; R2386-S2390 PolarHBondContact N-O 3.06Å; R2386-E2392 IonicContact CZ-OE1 3.76Å; R2386-E2392 IonicContact CZ-OE2 2.87Å; R2386-E2392 IonicContact NE-OE1 3.17Å; R2386-E2392 IonicContact NH1-OE2 3.45Å; R2386-E2392 IonicContact NH2-OE1 3.99Å; R2386-E2392 PolarHBondContact NH2-OE1 2.77Å; R2386-E2392 IonicContact NH2-OE2 3.57Å; R2386-E2392 PolarHBondContact NH2-OE2 2.88Å |
| 2387 | I | 62 | Low | 82.7 | Confident | 63 Ų | 63 | 42.7 Ų | 42.7 | 32% | 0.323 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -22 | -176.7 | -64.5 | 177.6 | 0 | 0 | 0 | 112.3 | A2346 A2348 D2389 | A2346-I2387 HydrophobicContact CB-CD1 3.91Å; A2346-I2387 HydrophobicContact CB-CG1 4.49Å; A2346-I2387 WeakPolarHBondContact O-CG1 3.11Å; A2346-I2387 PolarHBondContact O-N 3.11Å; A2348-I2387 HydrophobicContact CB-CG1 3.68Å; I2387-D2389 PolarHBondContact O-N 2.85Å |
| 2388 | N | 59.5 | Low | 82.6 | Confident | 50.5 Ų | 50.5 | 39.1 Ų | 39.1 | 27% | 0.27 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 11.7 | 175.2 | 65.9 | 2.5 | 0 | 0 | 0 | 113.6 | K2344 R2386 S2390 A2437 | K2344-N2388 PolarHBondContact O-ND2 3.23Å; R2386-N2388 VanDerWaalsContact CB-OD1 3.3Å; R2386-N2388 WeakPolarHBondContact CB-OD1 3.5Å; R2386-N2388 PolarHBondContact O-N 3.07Å; R2386-N2388 VanDerWaalsContact O-N 3.09Å; N2388-S2390 PolarHBondContact ND2-OG 3.28Å; N2388-S2390 PolarHBondContact O-N 3.2Å; N2388-S2390 VanDerWaalsContact OD1-CB 3.27Å; N2388-S2390 WeakPolarHBondContact OD1-CB 3.46Å; N2388-S2390 PolarHBondContact OD1-N 2.88Å; N2388-S2390 PolarHBondContact OD1-OG 3.24Å; N2388-A2437 HydrophobicContact CB-CB 4.31Å; N2388-A2437 WeakPolarHBondContact O-CB 3.3Å |
| 2389 | D | 63 | Low | 82.5 | Confident | 79 Ų | 79 | 38.4 Ų | 38.4 | 42% | 0.422 | 19% | 0.192 | S | C | . | . | S | Bend | trans | 61.7 | 13 | -174.1 | -59.5 | -49.4 | 0 | 0 | 0 | 115.4 | L2253 R2256 R2386 I2387 P2438 | L2253-D2389 VanDerWaalsContact CD1-OD2 3.25Å; L2253-D2389 WeakPolarHBondContact CD1-OD2 3.15Å; L2253-D2389 WeakPolarHBondContact CD2-OD2 3.45Å; R2256-D2389 IonicContact CZ-OD2 3.97Å; R2256-D2389 IonicContact NH1-OD1 2.66Å; R2256-D2389 IonicContact NH1-OD2 3.81Å; R2256-D2389 PolarHBondContact NH1-OD2 2.79Å; R2256-D2389 IonicContact NH2-OD2 2.91Å; R2256-D2389 PolarHBondContact NH2-OD2 2.77Å; R2386-D2389 WeakPolarHBondContact O-CA 3.44Å; R2386-D2389 PolarHBondContact O-N 3.11Å; R2386-D2389 VanDerWaalsContact O-N 3.1Å; I2387-D2389 PolarHBondContact O-N 2.85Å; D2389-P2438 HydrophobicContact CB-CG 4.44Å |
| 2390 | S | 70.8 | Confident | 82.4 | Confident | 15 Ų | 15 | 37.6 Ų | 37.6 | 11% | 0.105 | 19% | 0.19 | C | C | . | . | trans | -74.3 | 148.1 | 163.2 | 65.4 | 0 | 0 | 0 | 0 | 110.7 | R2386 N2388 E2435 | R2386-S2390 WeakPolarHBondContact CB-OG 3.42Å; R2386-S2390 WeakPolarHBondContact CD-OG 3.45Å; R2386-S2390 PolarHBondContact N-O 3.06Å; N2388-S2390 PolarHBondContact ND2-OG 3.28Å; N2388-S2390 PolarHBondContact O-N 3.2Å; N2388-S2390 VanDerWaalsContact OD1-CB 3.27Å; N2388-S2390 WeakPolarHBondContact OD1-CB 3.46Å; N2388-S2390 PolarHBondContact OD1-N 2.88Å; N2388-S2390 PolarHBondContact OD1-OG 3.24Å; S2390-E2435 WeakPolarHBondContact CA-O 3.34Å; S2390-E2435 VanDerWaalsContact CB-O 3.29Å; S2390-E2435 WeakPolarHBondContact CB-O 3.43Å | ||
| 2391 | G | 78.3 | Confident | 82.4 | Confident | 5 Ų | 5 | 38.7 Ų | 38.7 | 5% | 0.052 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 149.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V2384 E2435 | V2384-G2391 CarbonylContact O-C 3.59Å; V2384-G2391 VanDerWaalsContact O-CA 3.3Å; V2384-G2391 WeakPolarHBondContact O-CA 3.3Å; G2391-E2435 PolarHBondContact N-O 2.79Å; G2391-E2435 PolarHBondContact O-N 3.45Å |
| 2392 | E | 84.6 | Confident | 82.4 | Confident | 41 Ų | 41 | 37.4 Ų | 37.4 | 19% | 0.192 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 131.2 | 172.4 | -121.3 | 174.8 | -163.6 | 0 | 0 | 109.3 | K2383 V2384 R2386 C2433 R2434 | K2383-E2392 CarbonylContact C-O 3.57Å; K2383-E2392 WeakPolarHBondContact CA-O 3.34Å; V2384-E2392 HydrophobicContact CB-CB 4.26Å; V2384-E2392 PolarHBondContact N-O 2.91Å; V2384-E2392 PolarHBondContact O-N 2.85Å; R2386-E2392 IonicContact CZ-OE1 3.76Å; R2386-E2392 IonicContact CZ-OE2 2.87Å; R2386-E2392 IonicContact NE-OE1 3.17Å; R2386-E2392 IonicContact NH1-OE2 3.45Å; R2386-E2392 IonicContact NH2-OE1 3.99Å; R2386-E2392 PolarHBondContact NH2-OE1 2.77Å; R2386-E2392 IonicContact NH2-OE2 3.57Å; R2386-E2392 PolarHBondContact NH2-OE2 2.88Å; E2392-C2433 CarbonylContact C-O 3.48Å; E2392-C2433 WeakPolarHBondContact CA-O 3.3Å; E2392-R2434 HydrophobicContact CG-CG 4.13Å; E2392-R2434 IonicContact OE2-NE 2.89Å |
| 2393 | H | 89 | Confident | 82.4 | Confident | 31.5 Ų | 31.5 | 37.1 Ų | 37.1 | 15% | 0.146 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 129.9 | 178.3 | -68.9 | -107.9 | 0 | 0 | 0 | 108.7 | Y2381 T2382 K2383 V2432 C2433 | Y2381-H2393 AromaticContact CE2-ND1 3.99Å; Y2381-H2393 AromaticContact CZ-ND1 3.86Å; Y2381-H2393 PolarHBondContact OH-CE1 2.59Å; Y2381-H2393 PolarHBondContact OH-ND1 2.97Å; T2382-H2393 WeakPolarHBondContact O-CA 3.31Å; K2383-H2393 VanDerWaalsContact CD-CE1 3.47Å; K2383-H2393 WeakPolarHBondContact CD-CE1 3.44Å; K2383-H2393 VanDerWaalsContact CE-CE1 3.5Å; K2383-H2393 WeakPolarHBondContact CE-CE1 3.35Å; K2383-H2393 WeakPolarHBondContact CE-NE2 3.48Å; H2393-V2432 WeakPolarHBondContact O-CA 3.4Å; H2393-C2433 HydrophobicContact CB-CB 4.2Å; H2393-C2433 PolarHBondContact N-O 3.32Å; H2393-C2433 PolarHBondContact O-N 3.04Å |
| 2394 | M | 90.5 | Very high | 82.5 | Confident | 55 Ų | 55 | 34 Ų | 34 | 27% | 0.271 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 131.8 | 173.6 | -172.1 | 173.4 | 77.3 | 0 | 0 | 108.8 | L2380 Y2381 T2382 E2396 L2430 V2431 V2432 | L2380-M2394 HydrophobicContact CD2-CE 4.25Å; Y2381-M2394 WeakPolarHBondContact CA-O 3.34Å; Y2381-M2394 VanDerWaalsContact CD2-O 3.3Å; Y2381-M2394 WeakPolarHBondContact CD2-O 3.33Å; T2382-M2394 HydrophobicContact CG2-CE 4.06Å; T2382-M2394 PolarHBondContact N-O 2.93Å; T2382-M2394 PolarHBondContact O-N 2.81Å; T2382-M2394 WeakPolarHBondContact OG1-CB 3.39Å; M2394-E2396 HydrophobicContact CE-CG 4.1Å; M2394-E2396 HydrophobicContact CG-CG 4.03Å; M2394-E2396 HydrophobicContact SD-CG 4.38Å; M2394-L2430 HydrophobicContact CG-CD1 4.17Å; M2394-V2431 CarbonylContact C-O 3.6Å; M2394-V2431 WeakPolarHBondContact CA-O 3.44Å; M2394-V2432 HydrophobicContact CG-CG2 4.36Å |
| 2395 | F | 92.3 | Very high | 82.6 | Confident | 52 Ų | 52 | 36.6 Ų | 36.6 | 23% | 0.228 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 119.9 | 173.9 | 172.2 | -81 | 0 | 0 | 0 | 107.4 | F2379 Y2381 L2397 V2429 L2430 V2431 | F2379-F2395 HydrophobicContact CD2-CE2 4.19Å; F2379-F2395 HydrophobicContact CD2-CZ 4.46Å; F2379-F2395 AromaticContact CE2-CD2 3.97Å; F2379-F2395 HydrophobicContact CE2-CD2 4.07Å; F2379-F2395 AromaticContact CE2-CE2 3.56Å; F2379-F2395 HydrophobicContact CE2-CE2 3.56Å; F2379-F2395 VanDerWaalsContact CE2-CE2 3.48Å; F2379-F2395 HydrophobicContact CE2-CZ 4.26Å; F2379-F2395 HydrophobicContact CZ-CE2 4.22Å; Y2381-F2395 HydrophobicContact CD2-CB 4.38Å; Y2381-F2395 HydrophobicContact CD2-CD2 4.43Å; F2395-L2397 HydrophobicContact CE1-CB 4.25Å; F2395-L2397 HydrophobicContact CE1-CD1 3.7Å; F2395-L2397 HydrophobicContact CE1-CG 3.82Å; F2395-L2397 HydrophobicContact CZ-CD1 3.5Å; F2395-L2397 VanDerWaalsContact CZ-CD1 3.5Å; F2395-L2397 HydrophobicContact CZ-CG 3.71Å; F2395-V2429 HydrophobicContact CD1-CG1 4.23Å; F2395-V2429 HydrophobicContact CE1-CB 4.36Å; F2395-V2429 HydrophobicContact CE1-CG1 3.94Å; F2395-L2430 CarbonylContact O-C 3.53Å; F2395-L2430 VanDerWaalsContact O-CA 3.3Å; F2395-L2430 WeakPolarHBondContact O-CA 3.27Å; F2395-V2431 HydrophobicContact CB-CB 4.17Å; F2395-V2431 HydrophobicContact CD1-CG2 4.25Å; F2395-V2431 PolarHBondContact N-O 3.31Å; F2395-V2431 PolarHBondContact O-N 2.92Å |
| 2396 | E | 89.9 | Confident | 82.9 | Confident | 28 Ų | 28 | 36.1 Ų | 36.1 | 13% | 0.131 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 138.9 | 178.4 | -107.1 | -169 | 162.1 | 0 | 0 | 109.8 | K1902 F2379 L2380 M2394 V2429 L2430 | K1902-E2396 IonicContact NZ-OE1 3.58Å; K1902-E2396 PolarHBondContact NZ-OE1 3.43Å; K1902-E2396 IonicContact NZ-OE2 3.15Å; K1902-E2396 PolarHBondContact NZ-OE2 2.9Å; F2379-E2396 WeakPolarHBondContact CA-O 3.1Å; L2380-E2396 HydrophobicContact CB-CB 4.32Å; L2380-E2396 PolarHBondContact N-O 2.67Å; L2380-E2396 PolarHBondContact O-N 2.98Å; M2394-E2396 HydrophobicContact CE-CG 4.1Å; M2394-E2396 HydrophobicContact CG-CG 4.03Å; M2394-E2396 HydrophobicContact SD-CG 4.38Å; E2396-V2429 WeakPolarHBondContact CA-O 3.36Å; E2396-L2430 HydrophobicContact CG-CD1 3.73Å |
| 2397 | L | 89.9 | Confident | 83.2 | Confident | 10.5 Ų | 10.5 | 38.5 Ų | 38.5 | 6% | 0.055 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 118.8 | 172 | -130.2 | 122.3 | 0 | 0 | 0 | 107.9 | L2376 F2379 F2395 S2399 L2400 P2427 A2428 V2429 | L2376-L2397 HydrophobicContact CB-CD1 4.17Å; L2376-L2397 HydrophobicContact CD2-CD1 3.91Å; L2376-L2397 HydrophobicContact CD2-CD2 4.18Å; F2379-L2397 HydrophobicContact CB-CD1 3.91Å; F2379-L2397 HydrophobicContact CB-CD2 3.8Å; F2379-L2397 HydrophobicContact CD2-CD2 3.69Å; F2379-L2397 HydrophobicContact CD2-CG 4.38Å; F2379-L2397 HydrophobicContact CG-CD2 4.22Å; F2395-L2397 HydrophobicContact CE1-CB 4.25Å; F2395-L2397 HydrophobicContact CE1-CD1 3.7Å; F2395-L2397 HydrophobicContact CE1-CG 3.82Å; F2395-L2397 HydrophobicContact CZ-CD1 3.5Å; F2395-L2397 VanDerWaalsContact CZ-CD1 3.5Å; F2395-L2397 HydrophobicContact CZ-CG 3.71Å; L2397-S2399 WeakPolarHBondContact CG-O 3.42Å; L2397-L2400 HydrophobicContact CD2-CB 3.94Å; L2397-L2400 HydrophobicContact CD2-CD1 4.49Å; L2397-P2427 CarbonylContact O-C 3.51Å; L2397-P2427 WeakPolarHBondContact O-CB 3.26Å; L2397-A2428 WeakPolarHBondContact O-CA 3.3Å; L2397-A2428 WeakPolarHBondContact O-CB 3.29Å; L2397-A2428 PolarHBondContact O-N 2.69Å; L2397-V2429 HydrophobicContact CB-CB 4.28Å; L2397-V2429 PolarHBondContact N-O 2.89Å; L2397-V2429 PolarHBondContact O-N 3.39Å; L2397-V2429 VanDerWaalsContact O-N 3.14Å |
| 2398 | N | 87.5 | Confident | 83.8 | Confident | 19.5 Ų | 19.5 | 43.7 Ų | 43.7 | 10% | 0.104 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | -44.4 | -179.3 | -78.8 | 1.5 | 0 | 0 | 0 | 112.1 | K1902 E2377 N2378 A2428 | K1902-N2398 PolarHBondContact NZ-OD1 2.93Å; K1902-N2398 VanDerWaalsContact NZ-OD1 3.08Å; E2377-N2398 WeakPolarHBondContact O-CB 3.18Å; E2377-N2398 PolarHBondContact O-N 3.11Å; E2377-N2398 VanDerWaalsContact O-N 3.07Å; N2378-N2398 HydrophobicContact CB-CB 3.89Å; N2378-N2398 WeakPolarHBondContact CB-ND2 3.32Å; N2378-N2398 PolarHBondContact ND2-ND2 3.01Å; N2378-N2398 PolarHBondContact O-N 3.06Å; N2398-A2428 WeakPolarHBondContact O-CB 3.36Å; N2398-A2428 PolarHBondContact O-N 2.63Å |
| 2399 | S | 87 | Confident | 84.8 | Confident | 28 Ų | 28 | 43 Ų | 43 | 20% | 0.196 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 143.2 | -175.9 | -166.9 | 0 | 0 | 0 | 0 | 111.3 | E2377 L2397 M2417 | E2377-S2399 PolarHBondContact N-O 2.87Å; E2377-S2399 VanDerWaalsContact N-O 3.12Å; E2377-S2399 PolarHBondContact O-N 2.86Å; E2377-S2399 WeakPolarHBondContact OE2-CB 3.28Å; E2377-S2399 PolarHBondContact OE2-OG 2.93Å; L2397-S2399 WeakPolarHBondContact CG-O 3.42Å; S2399-M2417 WeakPolarHBondContact OG-CE 3.44Å |
| 2400 | L | 88.9 | Confident | 85.5 | Confident | 26 Ų | 26 | 42.7 Ų | 42.7 | 14% | 0.136 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 122.7 | 175.6 | 173.1 | 64.6 | 0 | 0 | 0 | 108.9 | Q2375 L2376 L2397 I2402 L2415 | Q2375-L2400 WeakPolarHBondContact O-CA 3.29Å; L2376-L2400 HydrophobicContact CD2-CD1 3.41Å; L2397-L2400 HydrophobicContact CD2-CB 3.94Å; L2397-L2400 HydrophobicContact CD2-CD1 4.49Å; L2400-I2402 HydrophobicContact CD1-CG1 4.26Å; L2400-L2415 HydrophobicContact CD2-CD2 3.55Å; L2400-L2415 HydrophobicContact CG-CD2 3.97Å |
| 2401 | K | 90.3 | Very high | 85.9 | Confident | 50 Ų | 50 | 43.5 Ų | 43.5 | 22% | 0.217 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 134.9 | 173.3 | -173 | 176.4 | -178.3 | 175.2 | 0 | 110.1 | Q2375 I2403 E2413 L2415 | Q2375-K2401 HydrophobicContact CB-CB 4.31Å; Q2375-K2401 PolarHBondContact N-O 2.93Å; Q2375-K2401 PolarHBondContact O-N 3.28Å; K2401-I2403 HydrophobicContact CD-CD1 4.42Å; K2401-I2403 HydrophobicContact CD-CG1 4.4Å; K2401-I2403 HydrophobicContact CG-CG1 4.21Å; K2401-E2413 WeakPolarHBondContact CE-OE1 3.27Å; K2401-E2413 IonicContact NZ-OE1 3.54Å; K2401-E2413 PolarHBondContact NZ-OE1 3.31Å; K2401-L2415 WeakPolarHBondContact CA-O 3.46Å |
| 2402 | I | 92.4 | Very high | 86.2 | Confident | 28 Ų | 28 | 49.3 Ų | 49.3 | 14% | 0.144 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 124.2 | 175.6 | -56 | 179.8 | 0 | 0 | 0 | 108.5 | Q2373 L2374 L2400 V2414 L2415 F2480 | Q2373-I2402 CarbonylContact O-C 3.55Å; Q2373-I2402 WeakPolarHBondContact O-CA 3.39Å; L2374-I2402 HydrophobicContact CD2-CD1 3.82Å; L2374-I2402 HydrophobicContact CD2-CG1 3.83Å; L2374-I2402 HydrophobicContact CG-CG1 4.36Å; L2400-I2402 HydrophobicContact CD1-CG1 4.26Å; I2402-V2414 HydrophobicContact CB-CB 4.36Å; I2402-V2414 HydrophobicContact CG2-CB 4.15Å; I2402-V2414 HydrophobicContact CG2-CG1 4.38Å; I2402-V2414 PolarHBondContact O-N 3.05Å; I2402-L2415 HydrophobicContact CB-CB 3.84Å; I2402-L2415 HydrophobicContact CD1-CB 3.89Å; I2402-L2415 HydrophobicContact CD1-CD2 3.72Å; I2402-L2415 HydrophobicContact CD1-CG 4.48Å; I2402-L2415 HydrophobicContact CG1-CB 3.87Å; I2402-L2415 HydrophobicContact CG1-CD2 4.2Å; I2402-L2415 PolarHBondContact N-O 2.93Å; I2402-L2415 PolarHBondContact O-N 2.9Å; I2402-F2480 HydrophobicContact CG2-CZ 4.19Å |
| 2403 | I | 91.4 | Very high | 86.1 | Confident | 13 Ų | 13 | 50.3 Ų | 50.3 | 7% | 0.067 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 133.8 | -178.4 | -51.6 | 174.1 | 0 | 0 | 0 | 108.5 | A2372 Q2373 K2401 L2405 M2412 | A2372-I2403 CarbonylContact C-O 3.58Å; A2372-I2403 VanDerWaalsContact CA-O 3.31Å; A2372-I2403 WeakPolarHBondContact CA-O 3.38Å; Q2373-I2403 HydrophobicContact CB-CB 4.34Å; Q2373-I2403 PolarHBondContact N-O 3.38Å; Q2373-I2403 PolarHBondContact O-N 2.87Å; K2401-I2403 HydrophobicContact CD-CD1 4.42Å; K2401-I2403 HydrophobicContact CD-CG1 4.4Å; K2401-I2403 HydrophobicContact CG-CG1 4.21Å; I2403-L2405 HydrophobicContact CG2-CD2 4.3Å; I2403-M2412 CarbonylContact C-O 3.54Å; I2403-M2412 WeakPolarHBondContact CA-O 3.48Å; I2403-M2412 HydrophobicContact CG2-CE 4Å; I2403-M2412 HydrophobicContact CG2-CG 3.93Å; I2403-M2412 WeakPolarHBondContact CG2-O 3.28Å |
| 2404 | N | 89.4 | Confident | 86 | Confident | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.037 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 123 | 173.9 | -178.2 | 8.9 | 0 | 0 | 0 | 110 | L2406 S2409 F2411 M2412 V2414 F2480 | N2404-L2406 WeakPolarHBondContact OD1-CB 3.42Å; N2404-L2406 VanDerWaalsContact OD1-CG 3.26Å; N2404-L2406 WeakPolarHBondContact OD1-CG 3.24Å; N2404-L2406 PolarHBondContact OD1-N 3.05Å; N2404-S2409 WeakPolarHBondContact ND2-CB 3.42Å; N2404-S2409 PolarHBondContact ND2-OG 3.42Å; N2404-F2411 PolarHBondContact ND2-O 3.2Å; N2404-M2412 PolarHBondContact N-O 2.87Å; N2404-V2414 HydrophobicContact CB-CG2 3.64Å; N2404-F2480 HydrophobicContact CB-CD2 3.94Å; N2404-F2480 HydrophobicContact CB-CE2 3.93Å; N2404-F2480 VanDerWaalsContact CG-CD2 3.41Å; N2404-F2480 VanDerWaalsContact OD1-CD2 3.25Å; N2404-F2480 WeakPolarHBondContact OD1-CD2 3.47Å |
| 2405 | L | 87.3 | Confident | 85.8 | Confident | 68 Ų | 68 | 47.8 Ų | 47.8 | 36% | 0.356 | 26% | 0.258 | S | S | . | . | trans | -103.5 | 3.2 | 179.7 | -62.2 | 178.3 | 0 | 0 | 0 | 112.5 | G2370 L2371 Q2373 I2403 | G2370-L2405 CarbonylContact O-C 3.54Å; G2370-L2405 VanDerWaalsContact O-CB 3.22Å; G2370-L2405 WeakPolarHBondContact O-CB 3.25Å; L2371-L2405 PolarHBondContact O-N 3.49Å; L2371-L2405 VanDerWaalsContact O-N 3.08Å; Q2373-L2405 HydrophobicContact CB-CD1 4.02Å; Q2373-L2405 HydrophobicContact CB-CG 4.44Å; I2403-L2405 HydrophobicContact CG2-CD2 4.3Å | ||
| 2406 | L | 85.8 | Confident | 85.4 | Confident | 26 Ų | 26 | 48.3 Ų | 48.3 | 14% | 0.136 | 26% | 0.261 | C | S | . | . | trans | -65.7 | 139.6 | 177.5 | -64.3 | 174.2 | 0 | 0 | 0 | 111.8 | L2371 N2404 S2409 I2479 F2480 T2483 | L2371-L2406 HydrophobicContact CD2-CD2 3.72Å; N2404-L2406 WeakPolarHBondContact OD1-CB 3.42Å; N2404-L2406 VanDerWaalsContact OD1-CG 3.26Å; N2404-L2406 WeakPolarHBondContact OD1-CG 3.24Å; N2404-L2406 PolarHBondContact OD1-N 3.05Å; L2406-S2409 WeakPolarHBondContact O-CB 3.44Å; L2406-S2409 PolarHBondContact O-OG 3Å; L2406-S2409 VanDerWaalsContact O-OG 3.07Å; L2406-I2479 HydrophobicContact CD1-CG2 4.35Å; L2406-F2480 HydrophobicContact CD1-CB 4.23Å; L2406-F2480 HydrophobicContact CD1-CD2 4.03Å; L2406-T2483 HydrophobicContact CD2-CG2 4.45Å | ||
| 2407 | P | 76.9 | Confident | 85 | Confident | 113 Ų | 113 | 49.1 Ų | 49.1 | 73% | 0.734 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 146.6 | 179.9 | 27.5 | -34.8 | 0 | 0 | 0 | 111.7 | S2409 | P2407-S2409 PolarHBondContact O-N 2.84Å; P2407-S2409 VanDerWaalsContact O-N 3.15Å |
| 2408 | N | 76 | Confident | 84.3 | Confident | 171 Ų | 171 | 52.2 Ų | 52.2 | 91% | 0.914 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 24 | 178.6 | -58.9 | -34.9 | 0 | 0 | 0 | 115 | ||
| 2409 | S | 79.7 | Confident | 83.3 | Confident | 36 Ų | 36 | 59.5 Ų | 59.5 | 25% | 0.252 | 31% | 0.313 | S | S | . | . | trans | -76.8 | 134 | 176.9 | 65.1 | 0 | 0 | 0 | 0 | 111.3 | N2404 L2406 P2407 F2411 | N2404-S2409 WeakPolarHBondContact ND2-CB 3.42Å; N2404-S2409 PolarHBondContact ND2-OG 3.42Å; L2406-S2409 WeakPolarHBondContact O-CB 3.44Å; L2406-S2409 PolarHBondContact O-OG 3Å; L2406-S2409 VanDerWaalsContact O-OG 3.07Å; P2407-S2409 PolarHBondContact O-N 2.84Å; P2407-S2409 VanDerWaalsContact O-N 3.15Å; S2409-F2411 VanDerWaalsContact C-N 3.3Å; S2409-F2411 PolarHBondContact O-N 3.37Å | ||
| 2410 | P | 76.8 | Confident | 81.9 | Confident | 74 Ų | 74 | 60.9 Ų | 60.9 | 48% | 0.481 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -75.5 | -20.1 | -178.8 | 30.5 | -36 | 0 | 0 | 0 | 113.4 | T2477 K2589 | P2410-T2477 HydrophobicContact CG-CG2 3.72Å; P2410-K2589 HydrophobicContact CG-CD 4.13Å |
| 2411 | F | 80.8 | Confident | 80.2 | Confident | 32 Ų | 32 | 69 Ų | 69 | 14% | 0.14 | 36% | 0.359 | C | S | . | . | trans | -123.5 | 108 | -178.5 | -53.4 | -59.7 | 0 | 0 | 0 | 107.5 | N2404 S2409 Q2475 T2477 K2589 | N2404-F2411 PolarHBondContact ND2-O 3.2Å; S2409-F2411 VanDerWaalsContact C-N 3.3Å; S2409-F2411 PolarHBondContact O-N 3.37Å; F2411-Q2475 HydrophobicContact CB-CB 3.84Å; F2411-Q2475 HydrophobicContact CD1-CB 4.1Å; F2411-Q2475 HydrophobicContact CD2-CB 4.32Å; F2411-Q2475 HydrophobicContact CG-CB 3.85Å; F2411-T2477 HydrophobicContact CD2-CG2 3.93Å; F2411-T2477 HydrophobicContact CE2-CG2 4.47Å; F2411-K2589 HydrophobicContact CE2-CB 4.23Å | ||
| 2412 | M | 83.5 | Confident | 78.4 | Confident | 125 Ų | 125 | 69.5 Ų | 69.5 | 62% | 0.616 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -77 | -42.6 | 176.8 | -179.6 | 178.2 | 171.5 | 0 | 0 | 110.5 | I2403 N2404 | I2403-M2412 CarbonylContact C-O 3.54Å; I2403-M2412 WeakPolarHBondContact CA-O 3.48Å; I2403-M2412 HydrophobicContact CG2-CE 4Å; I2403-M2412 HydrophobicContact CG2-CG 3.93Å; I2403-M2412 WeakPolarHBondContact CG2-O 3.28Å; N2404-M2412 PolarHBondContact N-O 2.87Å |
| 2413 | E | 83.5 | Confident | 76.5 | Confident | 63 Ų | 63 | 73.3 Ų | 73.3 | 29% | 0.294 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 112.7 | 178.7 | -61.1 | -174.6 | 162.6 | 0 | 0 | 109.4 | K2401 Q2416 Q2475 | K2401-E2413 WeakPolarHBondContact CE-OE1 3.27Å; K2401-E2413 IonicContact NZ-OE1 3.54Å; K2401-E2413 PolarHBondContact NZ-OE1 3.31Å; E2413-Q2416 PolarHBondContact OE2-OE1 3.35Å; E2413-Q2475 WeakPolarHBondContact O-CB 3.49Å |
| 2414 | V | 86.2 | Confident | 74.9 | Confident | 5 Ų | 5 | 75.4 Ų | 75.4 | 3% | 0.03 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | -45.2 | -174.9 | 166.1 | 0 | 0 | 0 | 0 | 112.1 | I2402 N2404 V2474 Q2475 M2476 F2480 | I2402-V2414 HydrophobicContact CB-CB 4.36Å; I2402-V2414 HydrophobicContact CG2-CB 4.15Å; I2402-V2414 HydrophobicContact CG2-CG1 4.38Å; I2402-V2414 PolarHBondContact O-N 3.05Å; N2404-V2414 HydrophobicContact CB-CG2 3.64Å; V2414-V2474 CarbonylContact O-C 3.59Å; V2414-V2474 WeakPolarHBondContact O-CA 3.19Å; V2414-Q2475 WeakPolarHBondContact CA-O 3.5Å; V2414-Q2475 PolarHBondContact O-N 3.23Å; V2414-M2476 HydrophobicContact CG1-CG 3.37Å; V2414-M2476 HydrophobicContact CG1-SD 3.93Å; V2414-F2480 HydrophobicContact CB-CE1 4.21Å; V2414-F2480 HydrophobicContact CB-CZ 4.45Å; V2414-F2480 HydrophobicContact CG1-CD1 4.19Å; V2414-F2480 HydrophobicContact CG1-CE1 3.7Å; V2414-F2480 HydrophobicContact CG1-CZ 4.37Å; V2414-F2480 HydrophobicContact CG2-CD1 4Å; V2414-F2480 HydrophobicContact CG2-CD2 4.48Å; V2414-F2480 HydrophobicContact CG2-CE1 3.82Å; V2414-F2480 HydrophobicContact CG2-CE2 4.29Å; V2414-F2480 HydrophobicContact CG2-CG 4.33Å; V2414-F2480 HydrophobicContact CG2-CZ 3.96Å |
| 2415 | L | 86 | Confident | 73.5 | Confident | 28 Ų | 28 | 78.5 Ų | 78.5 | 15% | 0.147 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 123.9 | 178.1 | -172.3 | 70.7 | 0 | 0 | 0 | 107.5 | L2400 K2401 I2402 M2472 I2473 V2474 | L2400-L2415 HydrophobicContact CD2-CD2 3.55Å; L2400-L2415 HydrophobicContact CG-CD2 3.97Å; K2401-L2415 WeakPolarHBondContact CA-O 3.46Å; I2402-L2415 HydrophobicContact CB-CB 3.84Å; I2402-L2415 HydrophobicContact CD1-CB 3.89Å; I2402-L2415 HydrophobicContact CD1-CD2 3.72Å; I2402-L2415 HydrophobicContact CD1-CG 4.48Å; I2402-L2415 HydrophobicContact CG1-CB 3.87Å; I2402-L2415 HydrophobicContact CG1-CD2 4.2Å; I2402-L2415 PolarHBondContact N-O 2.93Å; I2402-L2415 PolarHBondContact O-N 2.9Å; L2415-M2472 HydrophobicContact CD1-CB 4.01Å; L2415-M2472 HydrophobicContact CD1-CG 4.45Å; L2415-M2472 HydrophobicContact CD1-SD 3.9Å; L2415-M2472 HydrophobicContact CD2-SD 4.12Å; L2415-M2472 HydrophobicContact CG-SD 4.14Å; L2415-I2473 WeakPolarHBondContact CA-O 3.02Å; L2415-V2474 HydrophobicContact CD1-CG2 3.68Å |
| 2416 | Q | 83.7 | Confident | 72.8 | Confident | 64 Ų | 64 | 80.3 Ų | 80.3 | 30% | 0.299 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 149.5 | 175.5 | -167.4 | -172.7 | 16.4 | 0 | 0 | 108.8 | E2413 M2472 I2473 | E2413-Q2416 PolarHBondContact OE2-OE1 3.35Å; Q2416-M2472 CarbonylContact O-C 3.54Å; Q2416-M2472 WeakPolarHBondContact O-CA 3.39Å; Q2416-I2473 PolarHBondContact N-O 3.33Å; Q2416-I2473 VanDerWaalsContact N-O 3.11Å; Q2416-I2473 PolarHBondContact O-N 3.47Å |
| 2417 | M | 82 | Confident | 72.6 | Confident | 45 Ų | 45 | 80.4 Ų | 80.4 | 22% | 0.222 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 140.2 | 169.4 | -64.8 | -174.6 | -69.4 | 0 | 0 | 110.6 | S2399 A2428 | S2399-M2417 WeakPolarHBondContact OG-CE 3.44Å; M2417-A2428 HydrophobicContact CG-CB 4.38Å; M2417-A2428 HydrophobicContact SD-CB 3.59Å; M2417-A2428 VanDerWaalsContact SD-CB 3.59Å |
| 2418 | Q | 75.6 | Confident | 72.9 | Confident | 74 Ų | 74 | 75 Ų | 75 | 35% | 0.346 | 41% | 0.405 | S | S | . | . | trans | -74.9 | 127.6 | 171 | -169.9 | 172.6 | 23.3 | 0 | 0 | 108.9 | S2420 P2471 I2473 | Q2418-S2420 PolarHBondContact O-N 2.74Å; Q2418-P2471 HydrophobicContact CB-CB 4.1Å; Q2418-P2471 PolarHBondContact N-O 3.08Å; Q2418-I2473 HydrophobicContact CB-CD1 4.42Å; Q2418-I2473 HydrophobicContact CB-CG1 4.13Å; Q2418-I2473 HydrophobicContact CG-CD1 4.35Å; Q2418-I2473 HydrophobicContact CG-CG1 4.36Å | ||
| 2419 | E | 66.2 | Low | 73.5 | Confident | 174 Ų | 174 | 68 Ų | 68 | 81% | 0.813 | 37% | 0.368 | S | S | * | . | trans | -64.6 | 105.7 | 173.7 | -67.4 | -178.4 | 179.7 | 0 | 0 | 109.5 | ||||
| 2420 | S | 56.9 | Low | 74 | Confident | 56 Ų | 56 | 68.1 Ų | 68.1 | 39% | 0.392 | 37% | 0.366 | S | S | . | . | trans | -100.8 | 125.5 | 171.2 | 58.9 | 0 | 0 | 0 | 0 | 109.4 | Q2418 S2422 | Q2418-S2420 PolarHBondContact O-N 2.74Å; S2420-S2422 PolarHBondContact O-N 3.09Å; S2420-S2422 PolarHBondContact OG-OG 3.3Å | ||
| 2421 | H | 53.1 | Low | 74.6 | Confident | 196 Ų | 196 | 66.5 Ų | 66.5 | 91% | 0.907 | 36% | 0.355 | S | S | * | . | trans | -65.9 | 7.2 | 174.1 | -65.1 | -64.2 | 0 | 0 | 0 | 114.6 | A2423 | H2421-A2423 PolarHBondContact O-N 2.99Š| ||
| 2422 | S | 54.1 | Low | 75 | Confident | 62 Ų | 62 | 66.5 Ų | 66.5 | 43% | 0.434 | 36% | 0.357 | S | S | . | . | trans | -70.5 | 124.5 | 175.1 | 58.3 | 0 | 0 | 0 | 0 | 110.4 | S2420 T2424 | S2420-S2422 PolarHBondContact O-N 3.09Å; S2420-S2422 PolarHBondContact OG-OG 3.3Å; S2422-T2424 PolarHBondContact O-N 3.28Å; S2422-T2424 VanDerWaalsContact O-N 3.08Å | ||
| 2423 | A | 52.8 | Low | 75.3 | Confident | 108 Ų | 108 | 61 Ų | 61 | 89% | 0.893 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -60 | -16.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | H2421 H2425 | H2421-A2423 PolarHBondContact O-N 2.99Å; A2423-H2425 PolarHBondContact O-N 2.81Å |
| 2424 | T | 56.1 | Low | 75.4 | Confident | 57 Ų | 57 | 63.3 Ų | 63.3 | 35% | 0.35 | 34% | 0.337 | S | S | . | . | trans | -80.5 | 108.1 | 179 | 58.9 | 0 | 0 | 0 | 0 | 110.7 | S2422 K2426 R2470 | S2422-T2424 PolarHBondContact O-N 3.28Å; S2422-T2424 VanDerWaalsContact O-N 3.08Å; T2424-K2426 PolarHBondContact O-N 2.82Å; T2424-R2470 PolarHBondContact O-NH2 2.66Å | ||
| 2425 | H | 61.6 | Low | 75.2 | Confident | 71 Ų | 71 | 65.9 Ų | 65.9 | 33% | 0.329 | 35% | 0.348 | S | S | . | . | trans | -77.2 | 83.4 | 174 | -170.1 | -84.3 | 0 | 0 | 0 | 110.6 | V1894 A2423 | V1894-H2425 HydrophobicContact CB-CB 4.22Å; V1894-H2425 VanDerWaalsContact O-CB 3.23Å; V1894-H2425 WeakPolarHBondContact O-CB 3.41Å; A2423-H2425 PolarHBondContact O-N 2.81Å | ||
| 2426 | K | 71.9 | Confident | 74.6 | Confident | 106 Ų | 106 | 67.9 Ų | 67.9 | 46% | 0.461 | 36% | 0.359 | S | S | . | . | trans | -77 | 147.8 | 170.3 | -64.7 | -173.7 | 178.3 | -173.5 | 0 | 110.3 | T2424 R2470 | T2424-K2426 PolarHBondContact O-N 2.82Å; K2426-R2470 HydrophobicContact CB-CG 4.46Å; K2426-R2470 WeakPolarHBondContact O-CD 3.16Å; K2426-R2470 PolarHBondContact O-NE 2.82Å; K2426-R2470 VanDerWaalsContact O-NE 3.16Å; K2426-R2470 PolarHBondContact O-NH1 2.83Å | ||
| 2427 | P | 80.5 | Confident | 73.6 | Confident | 28 Ų | 28 | 65.5 Ų | 65.5 | 18% | 0.182 | 35% | 0.35 | C | S | . | . | trans | -61.9 | 152.1 | 172.6 | 27 | -35.6 | 0 | 0 | 0 | 111.3 | L2397 V2429 L2430 R2470 | L2397-P2427 CarbonylContact O-C 3.51Å; L2397-P2427 WeakPolarHBondContact O-CB 3.26Å; P2427-V2429 VanDerWaalsContact C-N 3.32Å; P2427-V2429 PolarHBondContact O-N 2.53Å; P2427-L2430 HydrophobicContact CG-CB 3.79Å; P2427-L2430 HydrophobicContact CG-CD2 4.46Å; P2427-R2470 WeakPolarHBondContact O-CD 3.31Å; P2427-R2470 WeakPolarHBondContact O-CG 3.37Å | ||
| 2428 | A | 84.2 | Confident | 72.3 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -58.9 | -44.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L2397 N2398 M2417 V2469 R2470 M2472 | L2397-A2428 WeakPolarHBondContact O-CA 3.3Å; L2397-A2428 WeakPolarHBondContact O-CB 3.29Å; L2397-A2428 PolarHBondContact O-N 2.69Å; N2398-A2428 WeakPolarHBondContact O-CB 3.36Å; N2398-A2428 PolarHBondContact O-N 2.63Å; M2417-A2428 HydrophobicContact CG-CB 4.38Å; M2417-A2428 HydrophobicContact SD-CB 3.59Å; M2417-A2428 VanDerWaalsContact SD-CB 3.59Å; A2428-V2469 WeakPolarHBondContact O-CA 3.44Å; A2428-R2470 PolarHBondContact O-N 3.16Å; A2428-M2472 HydrophobicContact CB-CE 4.06Å |
| 2429 | V | 87.8 | Confident | 71.1 | Confident | 24 Ų | 24 | 64.1 Ų | 64.1 | 15% | 0.145 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 127.1 | 175.9 | -177.7 | 0 | 0 | 0 | 0 | 108.3 | F2395 E2396 L2397 P2427 V2431 V2469 M2472 | F2395-V2429 HydrophobicContact CD1-CG1 4.23Å; F2395-V2429 HydrophobicContact CE1-CB 4.36Å; F2395-V2429 HydrophobicContact CE1-CG1 3.94Å; E2396-V2429 WeakPolarHBondContact CA-O 3.36Å; L2397-V2429 HydrophobicContact CB-CB 4.28Å; L2397-V2429 PolarHBondContact N-O 2.89Å; L2397-V2429 PolarHBondContact O-N 3.39Å; L2397-V2429 VanDerWaalsContact O-N 3.14Å; P2427-V2429 VanDerWaalsContact C-N 3.32Å; P2427-V2429 PolarHBondContact O-N 2.53Å; V2429-V2431 HydrophobicContact CG1-CG2 4.23Å; V2429-V2469 HydrophobicContact CG1-CG2 4.45Å; V2429-V2469 HydrophobicContact CG2-CG1 4.37Å; V2429-M2472 HydrophobicContact CG2-CE 4.18Å |
| 2430 | L | 90.8 | Very high | 70 | Confident | 38 Ų | 38 | 61 Ų | 61 | 20% | 0.199 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 125.5 | 171 | 173.2 | 66.4 | 0 | 0 | 0 | 108.4 | M2394 F2395 E2396 P2427 V2432 S2468 | M2394-L2430 HydrophobicContact CG-CD1 4.17Å; F2395-L2430 CarbonylContact O-C 3.53Å; F2395-L2430 VanDerWaalsContact O-CA 3.3Å; F2395-L2430 WeakPolarHBondContact O-CA 3.27Å; E2396-L2430 HydrophobicContact CG-CD1 3.73Å; P2427-L2430 HydrophobicContact CG-CB 3.79Å; P2427-L2430 HydrophobicContact CG-CD2 4.46Å; L2430-V2432 HydrophobicContact CD1-CG2 3.88Å; L2430-V2432 HydrophobicContact CD2-CG2 4.34Å; L2430-V2432 HydrophobicContact CG-CG2 4Å; L2430-S2468 PolarHBondContact N-O 2.92Å; L2430-S2468 PolarHBondContact O-N 3.19Å |
| 2431 | V | 89.5 | Confident | 69.1 | Low | 41 Ų | 41 | 64.6 Ų | 64.6 | 25% | 0.248 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 122.5 | 171.1 | -178 | 0 | 0 | 0 | 0 | 108.2 | M2394 F2395 V2429 L2465 E2466 V2467 | M2394-V2431 CarbonylContact C-O 3.6Å; M2394-V2431 WeakPolarHBondContact CA-O 3.44Å; F2395-V2431 HydrophobicContact CB-CB 4.17Å; F2395-V2431 HydrophobicContact CD1-CG2 4.25Å; F2395-V2431 PolarHBondContact N-O 3.31Å; F2395-V2431 PolarHBondContact O-N 2.92Å; V2429-V2431 HydrophobicContact CG1-CG2 4.23Å; V2431-L2465 HydrophobicContact CG1-CD1 4.19Å; V2431-E2466 WeakPolarHBondContact CA-O 3.11Å; V2431-V2467 HydrophobicContact CG1-CG2 4.18Å; V2431-V2467 HydrophobicContact CG2-CG1 4.25Å; V2431-V2467 HydrophobicContact CG2-CG2 4.25Å |
| 2432 | V | 89.5 | Confident | 68.3 | Low | 31 Ų | 31 | 60.6 Ų | 60.6 | 19% | 0.188 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 128.2 | 176.2 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | H2393 M2394 L2430 L2465 E2466 | H2393-V2432 WeakPolarHBondContact O-CA 3.4Å; M2394-V2432 HydrophobicContact CG-CG2 4.36Å; L2430-V2432 HydrophobicContact CD1-CG2 3.88Å; L2430-V2432 HydrophobicContact CD2-CG2 4.34Å; L2430-V2432 HydrophobicContact CG-CG2 4Å; V2432-L2465 CarbonylContact O-C 3.51Å; V2432-L2465 WeakPolarHBondContact O-CA 3.48Å; V2432-E2466 PolarHBondContact N-O 3.27Å; V2432-E2466 PolarHBondContact O-N 2.74Å |
| 2433 | C | 89.3 | Confident | 67.4 | Low | 9 Ų | 9 | 63.4 Ų | 63.4 | 6% | 0.061 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 125.6 | 179.1 | -176.7 | 0 | 0 | 0 | 0 | 109.9 | E2392 H2393 L2462 H2464 L2465 | E2392-C2433 CarbonylContact C-O 3.48Å; E2392-C2433 WeakPolarHBondContact CA-O 3.3Å; H2393-C2433 HydrophobicContact CB-CB 4.2Å; H2393-C2433 PolarHBondContact N-O 3.32Å; H2393-C2433 PolarHBondContact O-N 3.04Å; C2433-L2462 VanDerWaalsContact SG-CD2 3.57Å; C2433-H2464 CarbonylContact C-O 3.55Å; C2433-H2464 WeakPolarHBondContact CA-O 3.44Å; C2433-L2465 HydrophobicContact CB-CD1 3.95Å |
| 2434 | R | 85.9 | Confident | 66.5 | Low | 113 Ų | 113 | 61.6 Ų | 61.6 | 43% | 0.426 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 121.5 | 176.5 | -64.3 | -170.7 | 173.3 | 165.3 | 0 | 110.4 | E2392 L2462 E2463 H2464 | E2392-R2434 HydrophobicContact CG-CG 4.13Å; E2392-R2434 IonicContact OE2-NE 2.89Å; R2434-L2462 CarbonylContact O-C 3.51Å; R2434-L2462 WeakPolarHBondContact O-CA 3.41Å; R2434-E2463 PolarHBondContact O-N 2.85Å; R2434-H2464 HydrophobicContact CB-CB 4.42Å; R2434-H2464 PolarHBondContact N-O 3.06Å |
| 2435 | E | 81.9 | Confident | 65.4 | Low | 59 Ų | 59 | 65.8 Ų | 65.8 | 28% | 0.276 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 130.4 | 176.7 | -31.3 | -156.8 | 139.1 | 0 | 0 | 109.8 | S2390 G2391 V2461 L2462 | S2390-E2435 WeakPolarHBondContact CA-O 3.34Å; S2390-E2435 VanDerWaalsContact CB-O 3.29Å; S2390-E2435 WeakPolarHBondContact CB-O 3.43Å; G2391-E2435 PolarHBondContact N-O 2.79Å; G2391-E2435 PolarHBondContact O-N 3.45Å; E2435-V2461 CarbonylContact C-O 3.46Å; E2435-V2461 WeakPolarHBondContact CA-O 3.31Å; E2435-L2462 HydrophobicContact CB-CD2 3.79Å; E2435-L2462 HydrophobicContact CG-CD2 3.36Å; E2435-L2462 WeakPolarHBondContact OE1-CD2 3.36Å |
| 2436 | L | 72.5 | Confident | 64.3 | Low | 69 Ų | 69 | 69.6 Ų | 69.6 | 36% | 0.361 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 152 | 174.6 | -79 | 163.7 | 0 | 0 | 0 | 111.5 | V2461 E2463 | L2436-V2461 HydrophobicContact CB-CB 4.21Å; L2436-V2461 HydrophobicContact CB-CG1 4.47Å; L2436-V2461 HydrophobicContact CD1-CG1 3.94Å; L2436-V2461 PolarHBondContact N-O 2.8Å; L2436-E2463 HydrophobicContact CD1-CB 3.86Å; L2436-E2463 HydrophobicContact CD1-CG 4.23Å; L2436-E2463 HydrophobicContact CG-CB 3.92Å |
| 2437 | A | 63.8 | Low | 62.4 | Low | 15 Ų | 15 | 73.4 Ų | 73.4 | 12% | 0.124 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -55.5 | 128.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | N2388 G2439 | N2388-A2437 HydrophobicContact CB-CB 4.31Å; N2388-A2437 WeakPolarHBondContact O-CB 3.3Å; A2437-G2439 VanDerWaalsContact C-N 3.31Å; A2437-G2439 PolarHBondContact O-N 2.79Å |
| 2438 | P | 54.9 | Low | 60.2 | Low | 46 Ų | 46 | 75.5 Ų | 75.5 | 30% | 0.299 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -71.8 | 87.1 | 172 | 27.4 | -30.4 | 0 | 0 | 0 | 110.1 | D2389 A2455 | D2389-P2438 HydrophobicContact CB-CG 4.44Å; P2438-A2455 HydrophobicContact CB-CB 4.28Å |
| 2439 | G | 49.2 | Very low | 57.7 | Low | 43 Ų | 43 | 83.3 Ų | 83.3 | 44% | 0.443 | 48% | 0.478 | S | S | . | . | trans | 98.2 | 103.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115 | A2437 | A2437-G2439 VanDerWaalsContact C-N 3.31Å; A2437-G2439 PolarHBondContact O-N 2.79Å | ||
| 2440 | I | 44.1 | Very low | 55 | Low | 110 Ų | 110 | 86.4 Ų | 86.4 | 56% | 0.564 | 51% | 0.505 | S | S | * | . | trans | -109.1 | 112.3 | 155.4 | -66.4 | 174.7 | 0 | 0 | 0 | 107.6 | L2442 | I2440-L2442 HydrophobicContact CG2-CD1 4.11Å; I2440-L2442 HydrophobicContact CG2-CG 3.97Å; I2440-L2442 PolarHBondContact O-N 2.87Å | ||
| 2441 | I | 37.6 | Very low | 52.4 | Low | 130 Ų | 130 | 88.3 Ų | 88.3 | 67% | 0.667 | 52% | 0.519 | S | S | * | . | trans | -78.9 | 91.6 | 164.4 | -59.3 | 171.2 | 0 | 0 | 0 | 106.1 | C2443 | I2441-C2443 HydrophobicContact CG2-CB 3.85Å; I2441-C2443 PolarHBondContact O-N 3.38Å | ||
| 2442 | L | 35.7 | Very low | 49.7 | Very low | 112 Ų | 112 | 93.1 Ų | 93.1 | 59% | 0.586 | 54% | 0.542 | S | S | * | . | trans | -73 | 71.4 | 163.5 | -92.6 | 143.4 | 0 | 0 | 0 | 108.6 | I2440 V2451 | I2440-L2442 HydrophobicContact CG2-CD1 4.11Å; I2440-L2442 HydrophobicContact CG2-CG 3.97Å; I2440-L2442 PolarHBondContact O-N 2.87Å; L2442-V2451 HydrophobicContact CD1-CG1 4.2Å | ||
| 2443 | C | 35.1 | Very low | 47.1 | Very low | 121 Ų | 121 | 101.3 Ų | 101.3 | 82% | 0.818 | 57% | 0.57 | S | S | * | * | trans | -90.2 | 97.1 | 164.4 | -94.5 | 0 | 0 | 0 | 0 | 107.9 | I2441 | I2441-C2443 HydrophobicContact CG2-CB 3.85Å; I2441-C2443 PolarHBondContact O-N 3.38Å | ||
| 2444 | G | 33.9 | Very low | 44.9 | Very low | 71 Ų | 71 | 105.7 Ų | 105.7 | 73% | 0.732 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -179.6 | -20.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 2445 | L | 34.7 | Very low | 43 | Very low | 145 Ų | 145 | 101.5 Ų | 101.5 | 76% | 0.759 | 58% | 0.577 | S | S | * | * | trans | -127.7 | 120.7 | 173.7 | -81.9 | 112.4 | 0 | 0 | 0 | 110.6 | H2447 | L2445-H2447 PolarHBondContact O-N 2.84Š| ||
| 2446 | T | 37 | Very low | 41.3 | Very low | 151 Ų | 151 | 104 Ų | 104 | 93% | 0.926 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | 19.1 | -175 | 18.3 | 0 | 0 | 0 | 0 | 115.8 | ||
| 2447 | H | 32.5 | Very low | 40.4 | Very low | 185 Ų | 185 | 101.4 Ų | 101.4 | 86% | 0.856 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143 | 22.4 | -179.1 | -126 | -109.5 | 0 | 0 | 0 | 116 | L2445 | L2445-H2447 PolarHBondContact O-N 2.84Š|
| 2448 | C | 35.7 | Very low | 40.2 | Very low | 72 Ų | 72 | 101.5 Ų | 101.5 | 49% | 0.486 | 59% | 0.588 | S | S | . | * | trans | -116 | 65.6 | 173.6 | -80 | 0 | 0 | 0 | 0 | 112.7 | A2450 | C2448-A2450 PolarHBondContact O-N 3.42Š| ||
| 2449 | L | 30.8 | Very low | 40.7 | Very low | 165 Ų | 165 | 100.7 Ų | 100.7 | 86% | 0.864 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -0.3 | 167.9 | -91.9 | 162.7 | 0 | 0 | 0 | 113.6 | ||
| 2450 | A | 31.8 | Very low | 42 | Very low | 88 Ų | 88 | 101.4 Ų | 101.4 | 73% | 0.727 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -10.9 | -174 | 0 | 0 | 0 | 0 | 0 | 116.1 | C2448 | C2448-A2450 PolarHBondContact O-N 3.42Š|
| 2451 | V | 35.4 | Very low | 43.6 | Very low | 79 Ų | 79 | 96.3 Ų | 96.3 | 48% | 0.479 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -104.1 | 1.1 | -173.7 | -171.6 | 0 | 0 | 0 | 0 | 113.4 | L2442 R2453 | L2442-V2451 HydrophobicContact CD1-CG1 4.2Å; V2451-R2453 PolarHBondContact O-N 3.05Å |
| 2452 | L | 32.6 | Very low | 45.7 | Very low | 141 Ų | 141 | 90.1 Ų | 90.1 | 74% | 0.738 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | 7.7 | -175.6 | -106.5 | 157.5 | 0 | 0 | 0 | 116.1 | ||
| 2453 | R | 35.3 | Very low | 48 | Very low | 204 Ų | 204 | 89.4 Ų | 89.4 | 77% | 0.77 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | -8.7 | -163.9 | -82.2 | -170.1 | 170.6 | 169.8 | 0 | 118.5 | V2451 | V2451-R2453 PolarHBondContact O-N 3.05Š|
| 2454 | F | 42.7 | Very low | 50.4 | Low | 101 Ų | 101 | 85.9 Ų | 85.9 | 44% | 0.443 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -128.6 | 75.3 | -165.2 | -54.9 | -71.7 | 0 | 0 | 0 | 113.9 | L2573 M2575 | F2454-L2573 HydrophobicContact CD1-CD2 4.09Å; F2454-M2575 HydrophobicContact CD1-CE 4.46Å; F2454-M2575 HydrophobicContact CD1-SD 4.08Å; F2454-M2575 HydrophobicContact CE1-CE 3.98Å; F2454-M2575 HydrophobicContact CE1-SD 3.96Å; F2454-M2575 HydrophobicContact CZ-CE 4.16Å |
| 2455 | A | 45.4 | Very low | 53.1 | Low | 25 Ų | 25 | 82.9 Ų | 82.9 | 21% | 0.207 | 45% | 0.452 | C | S | . | . | trans | 159.6 | 55.6 | 146.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | P2438 G2457 | P2438-A2455 HydrophobicContact CB-CB 4.28Å; A2455-G2457 VanDerWaalsContact C-N 3.3Å; A2455-G2457 PolarHBondContact O-N 3.46Å | ||
| 2456 | V | 47.8 | Very low | 55.7 | Low | 112 Ų | 112 | 77.4 Ų | 77.4 | 68% | 0.679 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | 92.7 | 173.4 | -174.3 | 0 | 0 | 0 | 0 | 108 | ||
| 2457 | G | 52.6 | Low | 58.2 | Low | 14 Ų | 14 | 71.9 Ų | 71.9 | 14% | 0.144 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 100.2 | 28.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | A2455 A2568 | A2455-G2457 VanDerWaalsContact C-N 3.3Å; A2455-G2457 PolarHBondContact O-N 3.46Å; G2457-A2568 WeakPolarHBondContact O-CB 3.38Å |
| 2458 | G | 59.2 | Low | 60.9 | Low | 16 Ų | 16 | 64.5 Ų | 64.5 | 17% | 0.165 | 36% | 0.357 | C | S | . | . | S | Bend | trans | 82.8 | 9.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | T2460 A2568 | G2458-T2460 PolarHBondContact O-N 3.37Å; G2458-A2568 VanDerWaalsContact C-CB 3.42Å; G2458-A2568 WeakPolarHBondContact O-CB 3.39Å |
| 2459 | I | 66.7 | Low | 63.4 | Low | 30 Ų | 30 | 63.1 Ų | 63.1 | 15% | 0.154 | 35% | 0.347 | C | S | . | . | trans | -61.3 | 128.9 | 169.9 | -67.5 | 164.9 | 0 | 0 | 0 | 108.4 | V2461 A2568 N2571 L2573 | I2459-V2461 PolarHBondContact O-N 3.36Å; I2459-A2568 HydrophobicContact CG1-CB 4.25Å; I2459-N2571 WeakPolarHBondContact CG2-O 3.41Å; I2459-L2573 HydrophobicContact CG2-CB 4.04Å | ||
| 2460 | T | 75.1 | Confident | 66 | Low | 57 Ų | 57 | 57.2 Ų | 57.2 | 35% | 0.35 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 131.8 | 173.2 | 50 | 0 | 0 | 0 | 0 | 109.6 | G2458 L2573 | G2458-T2460 PolarHBondContact O-N 3.37Å; T2460-L2573 PolarHBondContact O-N 3.08Å |
| 2461 | V | 78.5 | Confident | 68.6 | Low | 3 Ų | 3 | 54.7 Ų | 54.7 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 112.6 | -179.9 | -176.2 | 0 | 0 | 0 | 0 | 107.7 | E2435 L2436 I2459 L2573 M2575 | E2435-V2461 CarbonylContact C-O 3.46Å; E2435-V2461 WeakPolarHBondContact CA-O 3.31Å; L2436-V2461 HydrophobicContact CB-CB 4.21Å; L2436-V2461 HydrophobicContact CB-CG1 4.47Å; L2436-V2461 HydrophobicContact CD1-CG1 3.94Å; L2436-V2461 PolarHBondContact N-O 2.8Å; I2459-V2461 PolarHBondContact O-N 3.36Å; V2461-L2573 CarbonylContact C-O 3.6Å; V2461-L2573 WeakPolarHBondContact CA-O 3.37Å; V2461-L2573 HydrophobicContact CG1-CB 4.48Å; V2461-L2573 HydrophobicContact CG1-CD2 4.14Å; V2461-L2573 HydrophobicContact CG1-CG 4.42Å; V2461-L2573 HydrophobicContact CG2-CB 4.28Å; V2461-L2573 HydrophobicContact CG2-CD2 4.14Å; V2461-M2575 HydrophobicContact CG1-CG 3.71Å; V2461-M2575 HydrophobicContact CG1-SD 4.38Å |
| 2462 | L | 82.2 | Confident | 71 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 107.7 | 171.3 | -65.8 | -176.8 | 0 | 0 | 0 | 108.2 | C2433 R2434 E2435 I2572 L2573 F2574 M2575 W2618 | C2433-L2462 VanDerWaalsContact SG-CD2 3.57Å; R2434-L2462 CarbonylContact O-C 3.51Å; R2434-L2462 WeakPolarHBondContact O-CA 3.41Å; E2435-L2462 HydrophobicContact CB-CD2 3.79Å; E2435-L2462 HydrophobicContact CG-CD2 3.36Å; E2435-L2462 WeakPolarHBondContact OE1-CD2 3.36Å; L2462-I2572 HydrophobicContact CB-CG2 4.33Å; L2462-I2572 HydrophobicContact CD1-CG2 3.64Å; L2462-I2572 HydrophobicContact CG-CG2 3.59Å; L2462-L2573 PolarHBondContact N-O 3.11Å; L2462-F2574 HydrophobicContact CB-CD1 4.25Å; L2462-F2574 HydrophobicContact CD1-CD1 3.78Å; L2462-F2574 HydrophobicContact CD1-CE1 3.46Å; L2462-F2574 VanDerWaalsContact CD1-CE1 3.46Å; L2462-F2574 HydrophobicContact CD1-CZ 4.28Å; L2462-M2575 WeakPolarHBondContact O-CB 3.4Å; L2462-M2575 PolarHBondContact O-N 3.43Å; L2462-W2618 HydrophobicContact CD1-CH2 3.98Å; L2462-W2618 HydrophobicContact CD1-CZ2 3.79Å |
| 2463 | E | 84 | Confident | 73.7 | Confident | 97 Ų | 97 | 47 Ų | 47 | 45% | 0.453 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | -47.2 | 178.9 | -175.6 | 177.8 | -173.7 | 0 | 0 | 110.8 | R2434 L2436 M2575 N2576 | R2434-E2463 PolarHBondContact O-N 2.85Å; L2436-E2463 HydrophobicContact CD1-CB 3.86Å; L2436-E2463 HydrophobicContact CD1-CG 4.23Å; L2436-E2463 HydrophobicContact CG-CB 3.92Å; E2463-M2575 WeakPolarHBondContact O-CB 3.33Å; E2463-N2576 WeakPolarHBondContact O-CB 3.34Å; E2463-N2576 PolarHBondContact O-N 3.07Å |
| 2464 | H | 83.8 | Confident | 76.1 | Confident | 46 Ų | 46 | 38.6 Ų | 38.6 | 21% | 0.213 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 123.2 | -173.6 | -169.2 | 61.4 | 0 | 0 | 0 | 111.1 | C2433 R2434 E2466 N2576 | C2433-H2464 CarbonylContact C-O 3.55Å; C2433-H2464 WeakPolarHBondContact CA-O 3.44Å; R2434-H2464 HydrophobicContact CB-CB 4.42Å; R2434-H2464 PolarHBondContact N-O 3.06Å; H2464-E2466 IonicContact NE2-OE2 3.99Å; H2464-N2576 WeakPolarHBondContact CA-O 3.34Å; H2464-N2576 PolarHBondContact ND1-ND2 2.96Å |
| 2465 | L | 91 | Very high | 78.3 | Confident | 9 Ų | 9 | 36.1 Ų | 36.1 | 5% | 0.047 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 107.7 | 170.2 | 173.2 | 65.4 | 0 | 0 | 0 | 108.2 | V2431 V2432 C2433 F2574 N2576 V2577 R2578 W2618 L2621 | V2431-L2465 HydrophobicContact CG1-CD1 4.19Å; V2432-L2465 CarbonylContact O-C 3.51Å; V2432-L2465 WeakPolarHBondContact O-CA 3.48Å; C2433-L2465 HydrophobicContact CB-CD1 3.95Å; L2465-F2574 HydrophobicContact CD2-CD1 4.35Å; L2465-F2574 HydrophobicContact CD2-CE1 4.13Å; L2465-N2576 PolarHBondContact N-O 2.91Å; L2465-V2577 HydrophobicContact CB-CG1 4.41Å; L2465-V2577 HydrophobicContact CB-CG2 4.32Å; L2465-V2577 HydrophobicContact CD2-CG1 3.85Å; L2465-V2577 HydrophobicContact CD2-CG2 4.18Å; L2465-V2577 HydrophobicContact CG-CG1 4.18Å; L2465-V2577 CarbonylContact O-C 3.55Å; L2465-V2577 WeakPolarHBondContact O-CA 3.24Å; L2465-R2578 PolarHBondContact O-N 3.44Å; L2465-W2618 HydrophobicContact CD1-CH2 4.44Å; L2465-W2618 HydrophobicContact CD2-CH2 4.04Å; L2465-W2618 HydrophobicContact CD2-CZ3 3.83Å; L2465-L2621 HydrophobicContact CD2-CD2 3.82Å |
| 2466 | E | 89.8 | Confident | 80.2 | Confident | 30 Ų | 30 | 37.7 Ų | 37.7 | 14% | 0.14 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 125.6 | 175.9 | -174.3 | 165.1 | -139.2 | 0 | 0 | 110 | V2431 V2432 H2464 R2578 | V2431-E2466 WeakPolarHBondContact CA-O 3.11Å; V2432-E2466 PolarHBondContact N-O 3.27Å; V2432-E2466 PolarHBondContact O-N 2.74Å; H2464-E2466 IonicContact NE2-OE2 3.99Å; E2466-R2578 CarbonylContact C-O 3.59Å; E2466-R2578 VanDerWaalsContact CA-O 3.31Å; E2466-R2578 WeakPolarHBondContact CA-O 3.34Å; E2466-R2578 IonicContact OE1-CZ 3.81Å; E2466-R2578 IonicContact OE1-NE 3.8Å; E2466-R2578 IonicContact OE1-NH1 3.69Å; E2466-R2578 PolarHBondContact OE1-NH1 2.79Å |
| 2467 | V | 89.9 | Confident | 82 | Confident | 35 Ų | 35 | 32.9 Ų | 32.9 | 21% | 0.212 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 110.8 | 173.3 | 178.7 | 0 | 0 | 0 | 0 | 107.2 | V2431 V2469 R2578 V2579 N2580 | V2431-V2467 HydrophobicContact CG1-CG2 4.18Å; V2431-V2467 HydrophobicContact CG2-CG1 4.25Å; V2431-V2467 HydrophobicContact CG2-CG2 4.25Å; V2467-V2469 HydrophobicContact CG1-CG2 4.08Å; V2467-R2578 PolarHBondContact N-O 3Å; V2467-V2579 HydrophobicContact CB-CG1 4.19Å; V2467-V2579 HydrophobicContact CB-CG2 4.21Å; V2467-V2579 HydrophobicContact CG1-CG1 4.29Å; V2467-V2579 WeakPolarHBondContact O-CA 3.33Å; V2467-N2580 PolarHBondContact O-N 2.82Å; V2467-N2580 VanDerWaalsContact O-N 3.13Å; V2467-N2580 PolarHBondContact O-OD1 2.71Å |
| 2468 | S | 89.3 | Confident | 83.4 | Confident | 30 Ų | 30 | 35.4 Ų | 35.4 | 21% | 0.21 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 116.1 | 177.2 | -72.2 | 0 | 0 | 0 | 0 | 109.7 | L2430 N2580 | L2430-S2468 PolarHBondContact N-O 2.92Å; L2430-S2468 PolarHBondContact O-N 3.19Å; S2468-N2580 WeakPolarHBondContact CA-OD1 3.43Å |
| 2469 | V | 86.9 | Confident | 84.7 | Confident | 43 Ų | 43 | 40.2 Ų | 40.2 | 26% | 0.261 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 142.3 | 175.6 | -175.5 | 0 | 0 | 0 | 0 | 109.2 | A2428 V2429 V2467 M2472 N2580 V2582 | A2428-V2469 WeakPolarHBondContact O-CA 3.44Å; V2429-V2469 HydrophobicContact CG1-CG2 4.45Å; V2429-V2469 HydrophobicContact CG2-CG1 4.37Å; V2467-V2469 HydrophobicContact CG1-CG2 4.08Å; V2469-M2472 HydrophobicContact CG1-CE 4.03Å; V2469-M2472 HydrophobicContact CG1-SD 4.38Å; V2469-N2580 PolarHBondContact N-ND2 2.79Å; V2469-N2580 PolarHBondContact N-OD1 3.01Å; V2469-N2580 PolarHBondContact O-ND2 3.49Å; V2469-V2582 HydrophobicContact CB-CG2 4.28Å; V2469-V2582 WeakPolarHBondContact O-CG2 3.43Å |
| 2470 | R | 86.7 | Confident | 85.8 | Confident | 40 Ų | 40 | 39.1 Ų | 39.1 | 15% | 0.151 | 20% | 0.201 | C | C | . | . | trans | -79.8 | 156.4 | 173 | -85.5 | -174.9 | 133.5 | -179.2 | -7.7 | 112.1 | T2424 K2426 P2427 A2428 M2472 V2582 | T2424-R2470 PolarHBondContact O-NH2 2.66Å; K2426-R2470 HydrophobicContact CB-CG 4.46Å; K2426-R2470 WeakPolarHBondContact O-CD 3.16Å; K2426-R2470 PolarHBondContact O-NE 2.82Å; K2426-R2470 VanDerWaalsContact O-NE 3.16Å; K2426-R2470 PolarHBondContact O-NH1 2.83Å; P2427-R2470 WeakPolarHBondContact O-CD 3.31Å; P2427-R2470 WeakPolarHBondContact O-CG 3.37Å; A2428-R2470 PolarHBondContact O-N 3.16Å; R2470-M2472 WeakPolarHBondContact O-CG 3.33Å; R2470-M2472 PolarHBondContact O-N 3.32Å; R2470-V2582 WeakPolarHBondContact O-CG1 3.4Å | ||
| 2471 | P | 86.3 | Confident | 86.3 | Confident | 36 Ų | 36 | 40.5 Ų | 40.5 | 23% | 0.234 | 20% | 0.202 | C | C | . | . | trans | -53.4 | 128.6 | 170.9 | -26.3 | 36.1 | 0 | 0 | 0 | 111.9 | Q2418 V2582 P2583 | Q2418-P2471 HydrophobicContact CB-CB 4.1Å; Q2418-P2471 PolarHBondContact N-O 3.08Å; P2471-V2582 HydrophobicContact CG-CG1 4.46Å; P2471-P2583 VanDerWaalsContact CA-O 3.31Å; P2471-P2583 WeakPolarHBondContact CA-O 3.4Å; P2471-P2583 HydrophobicContact CB-CG 4.12Å; P2471-P2583 VanDerWaalsContact CB-O 3.32Å; P2471-P2583 WeakPolarHBondContact CB-O 3.45Å; P2471-P2583 HydrophobicContact CG-CG 3.88Å | ||
| 2472 | M | 85.5 | Confident | 86.6 | Confident | 16 Ų | 16 | 42.4 Ų | 42.4 | 8% | 0.079 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 148.7 | -178.5 | -71.4 | 178 | -175.5 | 0 | 0 | 110.6 | L2415 Q2416 A2428 V2429 V2469 R2470 I2584 V2585 | L2415-M2472 HydrophobicContact CD1-CB 4.01Å; L2415-M2472 HydrophobicContact CD1-CG 4.45Å; L2415-M2472 HydrophobicContact CD1-SD 3.9Å; L2415-M2472 HydrophobicContact CD2-SD 4.12Å; L2415-M2472 HydrophobicContact CG-SD 4.14Å; Q2416-M2472 CarbonylContact O-C 3.54Å; Q2416-M2472 WeakPolarHBondContact O-CA 3.39Å; A2428-M2472 HydrophobicContact CB-CE 4.06Å; V2429-M2472 HydrophobicContact CG2-CE 4.18Å; V2469-M2472 HydrophobicContact CG1-CE 4.03Å; V2469-M2472 HydrophobicContact CG1-SD 4.38Å; R2470-M2472 WeakPolarHBondContact O-CG 3.33Å; R2470-M2472 PolarHBondContact O-N 3.32Å; M2472-I2584 WeakPolarHBondContact O-CA 3.45Å; M2472-I2584 WeakPolarHBondContact O-CG2 3.31Å; M2472-V2585 PolarHBondContact O-N 3.19Å; M2472-V2585 VanDerWaalsContact O-N 3.16Å |
| 2473 | I | 88.1 | Confident | 86.7 | Confident | 43 Ų | 43 | 43.9 Ų | 43.9 | 22% | 0.221 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 123.3 | 170.7 | -56.3 | 173.5 | 0 | 0 | 0 | 106.9 | L2415 Q2416 Q2418 Q2475 V2585 | L2415-I2473 WeakPolarHBondContact CA-O 3.02Å; Q2416-I2473 PolarHBondContact N-O 3.33Å; Q2416-I2473 VanDerWaalsContact N-O 3.11Å; Q2416-I2473 PolarHBondContact O-N 3.47Å; Q2418-I2473 HydrophobicContact CB-CD1 4.42Å; Q2418-I2473 HydrophobicContact CB-CG1 4.13Å; Q2418-I2473 HydrophobicContact CG-CD1 4.35Å; Q2418-I2473 HydrophobicContact CG-CG1 4.36Å; I2473-Q2475 HydrophobicContact CG2-CG 3.9Å; I2473-V2585 WeakPolarHBondContact CA-O 3.41Å; I2473-V2585 HydrophobicContact CG1-CB 4.39Å |
| 2474 | V | 87.3 | Confident | 86.8 | Confident | 26 Ų | 26 | 40.7 Ų | 40.7 | 16% | 0.158 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 112 | 179.7 | -176.6 | 0 | 0 | 0 | 0 | 108.6 | V2414 L2415 M2476 I2584 V2585 V2586 T2587 | V2414-V2474 CarbonylContact O-C 3.59Å; V2414-V2474 WeakPolarHBondContact O-CA 3.19Å; L2415-V2474 HydrophobicContact CD1-CG2 3.68Å; V2474-M2476 HydrophobicContact CG1-CE 3.82Å; V2474-M2476 HydrophobicContact CG1-CG 4.03Å; V2474-M2476 HydrophobicContact CG1-SD 4.45Å; V2474-I2584 HydrophobicContact CG2-CG2 3.77Å; V2474-V2585 PolarHBondContact N-O 3.13Å; V2474-V2586 HydrophobicContact CB-CG2 4.31Å; V2474-V2586 CarbonylContact O-C 3.56Å; V2474-V2586 WeakPolarHBondContact O-CA 3.32Å; V2474-T2587 PolarHBondContact O-N 3.08Å |
| 2475 | Q | 87.5 | Confident | 86.8 | Confident | 50 Ų | 50 | 40.6 Ų | 40.6 | 23% | 0.234 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 95.5 | 176.6 | -48.7 | -166 | -23.2 | 0 | 0 | 110.5 | F2411 E2413 V2414 I2473 T2587 | F2411-Q2475 HydrophobicContact CB-CB 3.84Å; F2411-Q2475 HydrophobicContact CD1-CB 4.1Å; F2411-Q2475 HydrophobicContact CD2-CB 4.32Å; F2411-Q2475 HydrophobicContact CG-CB 3.85Å; E2413-Q2475 WeakPolarHBondContact O-CB 3.49Å; V2414-Q2475 WeakPolarHBondContact CA-O 3.5Å; V2414-Q2475 PolarHBondContact O-N 3.23Å; I2473-Q2475 HydrophobicContact CG2-CG 3.9Å; Q2475-T2587 WeakPolarHBondContact CA-O 3.46Å; Q2475-T2587 VanDerWaalsContact CA-OG1 3.25Å; Q2475-T2587 WeakPolarHBondContact CA-OG1 2.93Å; Q2475-T2587 WeakPolarHBondContact CB-OG1 3.44Å; Q2475-T2587 HydrophobicContact CG-CG2 4.31Å; Q2475-T2587 VanDerWaalsContact CG-OG1 3.24Å; Q2475-T2587 WeakPolarHBondContact CG-OG1 3.18Å |
| 2476 | M | 85.3 | Confident | 86.3 | Confident | 58 Ų | 58 | 46.7 Ų | 46.7 | 29% | 0.286 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 144.8 | -174.9 | -74.8 | -162 | -61.3 | 0 | 0 | 112.9 | V2414 V2474 F2480 T2587 Y2588 K2589 | V2414-M2476 HydrophobicContact CG1-CG 3.37Å; V2414-M2476 HydrophobicContact CG1-SD 3.93Å; V2474-M2476 HydrophobicContact CG1-CE 3.82Å; V2474-M2476 HydrophobicContact CG1-CG 4.03Å; V2474-M2476 HydrophobicContact CG1-SD 4.45Å; M2476-F2480 HydrophobicContact CG-CD1 4.43Å; M2476-F2480 HydrophobicContact SD-CD1 4.4Å; M2476-T2587 PolarHBondContact N-O 2.75Å; M2476-Y2588 HydrophobicContact CB-CD2 4.39Å; M2476-Y2588 VanDerWaalsContact O-CA 3.31Å; M2476-Y2588 WeakPolarHBondContact O-CA 3.47Å; M2476-Y2588 WeakPolarHBondContact O-CD2 3.38Å; M2476-K2589 PolarHBondContact O-N 3.07Å |
| 2477 | T | 85.8 | Confident | 86.1 | Confident | 10 Ų | 10 | 45.8 Ų | 45.8 | 6% | 0.061 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 151.9 | 165.4 | 64.6 | 0 | 0 | 0 | 0 | 109.9 | P2410 F2411 I2479 F2480 F2481 K2589 | P2410-T2477 HydrophobicContact CG-CG2 3.72Å; F2411-T2477 HydrophobicContact CD2-CG2 3.93Å; F2411-T2477 HydrophobicContact CE2-CG2 4.47Å; T2477-I2479 PolarHBondContact O-N 3.23Å; T2477-F2480 PolarHBondContact O-N 2.86Å; T2477-F2480 WeakPolarHBondContact OG1-CB 3.46Å; T2477-F2480 PolarHBondContact OG1-N 3.12Å; T2477-F2480 VanDerWaalsContact OG1-N 3.15Å; T2477-F2481 PolarHBondContact O-N 3.37Å; T2477-K2589 CarbonylContact C-O 3.53Å; T2477-K2589 HydrophobicContact CG2-CB 4.26Å |
| 2478 | Y | 83.1 | Confident | 85.8 | Confident | 67 Ų | 67 | 47 Ų | 47 | 26% | 0.263 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -55.3 | -40 | 173.5 | 178.2 | -105.2 | 0 | 0 | 0 | 112 | F2481 H2482 Y2588 K2589 A2591 | Y2478-F2481 PolarHBondContact O-N 2.88Å; Y2478-H2482 WeakPolarHBondContact O-CB 3.45Å; Y2478-H2482 PolarHBondContact O-N 3.14Å; Y2478-Y2588 WeakPolarHBondContact CB-OH 3.33Å; Y2478-Y2588 VanDerWaalsContact CD2-OH 3.3Å; Y2478-Y2588 WeakPolarHBondContact CD2-OH 3.46Å; Y2478-K2589 PolarHBondContact N-O 2.82Å; Y2478-A2591 HydrophobicContact CD1-CB 3.69Å; Y2478-A2591 HydrophobicContact CE1-CB 4.08Å; Y2478-A2591 HydrophobicContact CG-CB 4.22Å |
| 2479 | I | 86.4 | Confident | 85.5 | Confident | 117 Ų | 117 | 49.6 Ų | 49.6 | 60% | 0.6 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -60.8 | -50.9 | 178.7 | -57.7 | 173.7 | 0 | 0 | 0 | 109.8 | L2406 T2477 F2481 H2482 T2483 | L2406-I2479 HydrophobicContact CD1-CG2 4.35Å; T2477-I2479 PolarHBondContact O-N 3.23Å; I2479-F2481 PolarHBondContact O-N 2.95Å; I2479-H2482 PolarHBondContact O-N 3.24Å; I2479-T2483 PolarHBondContact O-N 2.85Å; I2479-T2483 PolarHBondContact O-OG1 3.46Å |
| 2480 | F | 88.9 | Confident | 84.6 | Confident | 7 Ų | 7 | 49.6 Ų | 49.6 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59 | -47.9 | 177.8 | -179.6 | -97.6 | 0 | 0 | 0 | 112.4 | A2372 I2402 N2404 L2406 V2414 M2476 T2477 H2482 T2483 M2484 | A2372-F2480 HydrophobicContact CB-CE2 3.71Å; A2372-F2480 HydrophobicContact CB-CZ 3.88Å; I2402-F2480 HydrophobicContact CG2-CZ 4.19Å; N2404-F2480 HydrophobicContact CB-CD2 3.94Å; N2404-F2480 HydrophobicContact CB-CE2 3.93Å; N2404-F2480 VanDerWaalsContact CG-CD2 3.41Å; N2404-F2480 VanDerWaalsContact OD1-CD2 3.25Å; N2404-F2480 WeakPolarHBondContact OD1-CD2 3.47Å; L2406-F2480 HydrophobicContact CD1-CB 4.23Å; L2406-F2480 HydrophobicContact CD1-CD2 4.03Å; V2414-F2480 HydrophobicContact CB-CE1 4.21Å; V2414-F2480 HydrophobicContact CB-CZ 4.45Å; V2414-F2480 HydrophobicContact CG1-CD1 4.19Å; V2414-F2480 HydrophobicContact CG1-CE1 3.7Å; V2414-F2480 HydrophobicContact CG1-CZ 4.37Å; V2414-F2480 HydrophobicContact CG2-CD1 4Å; V2414-F2480 HydrophobicContact CG2-CD2 4.48Å; V2414-F2480 HydrophobicContact CG2-CE1 3.82Å; V2414-F2480 HydrophobicContact CG2-CE2 4.29Å; V2414-F2480 HydrophobicContact CG2-CG 4.33Å; V2414-F2480 HydrophobicContact CG2-CZ 3.96Å; M2476-F2480 HydrophobicContact CG-CD1 4.43Å; M2476-F2480 HydrophobicContact SD-CD1 4.4Å; T2477-F2480 PolarHBondContact O-N 2.86Å; T2477-F2480 WeakPolarHBondContact OG1-CB 3.46Å; T2477-F2480 PolarHBondContact OG1-N 3.12Å; T2477-F2480 VanDerWaalsContact OG1-N 3.15Å; F2480-H2482 VanDerWaalsContact C-N 3.33Å; F2480-H2482 PolarHBondContact O-N 2.93Å; F2480-T2483 PolarHBondContact O-N 3.34Å; F2480-M2484 HydrophobicContact CD1-CG 4.09Å; F2480-M2484 HydrophobicContact CD2-CG 4.45Å; F2480-M2484 HydrophobicContact CE1-CG 3.63Å; F2480-M2484 HydrophobicContact CE2-CG 4.08Å; F2480-M2484 HydrophobicContact CE2-SD 4.31Å; F2480-M2484 HydrophobicContact CG-CG 4.48Å; F2480-M2484 HydrophobicContact CZ-CE 4.41Å; F2480-M2484 HydrophobicContact CZ-CG 3.65Å; F2480-M2484 HydrophobicContact CZ-SD 3.99Å; F2480-M2484 WeakPolarHBondContact O-CG 3.4Å; F2480-M2484 PolarHBondContact O-N 2.63Å |
| 2481 | F | 86.2 | Confident | 83.6 | Confident | 86 Ų | 86 | 54.4 Ų | 54.4 | 38% | 0.377 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57.7 | -45.5 | 177 | 168.6 | -99.6 | 0 | 0 | 0 | 111.9 | T2477 Y2478 I2479 M2484 M2485 | T2477-F2481 PolarHBondContact O-N 3.37Å; Y2478-F2481 PolarHBondContact O-N 2.88Å; I2479-F2481 PolarHBondContact O-N 2.95Å; F2481-M2484 PolarHBondContact O-N 2.82Å; F2481-M2485 HydrophobicContact CD1-CG 4.39Å; F2481-M2485 HydrophobicContact CD2-CG 4.1Å; F2481-M2485 HydrophobicContact CE1-CG 3.94Å; F2481-M2485 HydrophobicContact CE2-CG 3.6Å; F2481-M2485 HydrophobicContact CE2-SD 4.05Å; F2481-M2485 HydrophobicContact CG-CG 4.47Å; F2481-M2485 HydrophobicContact CZ-CG 3.51Å; F2481-M2485 HydrophobicContact CZ-SD 4.13Å; F2481-M2485 WeakPolarHBondContact O-CB 3.33Å; F2481-M2485 VanDerWaalsContact O-CG 3.3Å; F2481-M2485 WeakPolarHBondContact O-CG 3.35Å; F2481-M2485 PolarHBondContact O-N 3.08Å |
| 2482 | H | 83.6 | Confident | 82.6 | Confident | 43 Ų | 43 | 57.1 Ų | 57.1 | 20% | 0.199 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 178.8 | -173.5 | 86.4 | 0 | 0 | 0 | 111.7 | Y2478 I2479 F2480 M2485 K2486 | Y2478-H2482 WeakPolarHBondContact O-CB 3.45Å; Y2478-H2482 PolarHBondContact O-N 3.14Å; I2479-H2482 PolarHBondContact O-N 3.24Å; F2480-H2482 VanDerWaalsContact C-N 3.33Å; F2480-H2482 PolarHBondContact O-N 2.93Å; H2482-M2485 PolarHBondContact O-N 3.45Å; H2482-K2486 WeakPolarHBondContact O-CB 3.37Å; H2482-K2486 PolarHBondContact O-N 2.76Å |
| 2483 | T | 86.1 | Confident | 80.8 | Confident | 33 Ų | 33 | 61.6 Ų | 61.6 | 20% | 0.202 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.8 | -46.1 | 175.3 | -60 | 0 | 0 | 0 | 0 | 111.8 | L2371 L2406 I2479 F2480 K2486 F2487 | L2371-T2483 HydrophobicContact CB-CG2 4.48Å; L2371-T2483 HydrophobicContact CD1-CG2 4.08Å; L2371-T2483 HydrophobicContact CD2-CG2 3.86Å; L2371-T2483 HydrophobicContact CG-CG2 4.38Å; L2406-T2483 HydrophobicContact CD2-CG2 4.45Å; I2479-T2483 PolarHBondContact O-N 2.85Å; I2479-T2483 PolarHBondContact O-OG1 3.46Å; F2480-T2483 PolarHBondContact O-N 3.34Å; T2483-K2486 PolarHBondContact O-N 3.09Å; T2483-F2487 PolarHBondContact O-N 3.45Å |
| 2484 | M | 85.6 | Confident | 79.2 | Confident | 30 Ų | 30 | 61.6 Ų | 61.6 | 15% | 0.148 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 177.6 | -70.1 | -62.1 | -78.9 | 0 | 0 | 112.2 | L2362 A2372 F2480 F2481 K2486 F2487 F2488 | L2362-M2484 HydrophobicContact CD1-CE 3.73Å; L2362-M2484 HydrophobicContact CD1-SD 3.84Å; A2372-M2484 HydrophobicContact CB-CE 4.27Å; A2372-M2484 HydrophobicContact CB-SD 3.75Å; F2480-M2484 HydrophobicContact CD1-CG 4.09Å; F2480-M2484 HydrophobicContact CD2-CG 4.45Å; F2480-M2484 HydrophobicContact CE1-CG 3.63Å; F2480-M2484 HydrophobicContact CE2-CG 4.08Å; F2480-M2484 HydrophobicContact CE2-SD 4.31Å; F2480-M2484 HydrophobicContact CG-CG 4.48Å; F2480-M2484 HydrophobicContact CZ-CE 4.41Å; F2480-M2484 HydrophobicContact CZ-CG 3.65Å; F2480-M2484 HydrophobicContact CZ-SD 3.99Å; F2480-M2484 WeakPolarHBondContact O-CG 3.4Å; F2480-M2484 PolarHBondContact O-N 2.63Å; F2481-M2484 PolarHBondContact O-N 2.82Å; M2484-K2486 VanDerWaalsContact C-N 3.33Å; M2484-K2486 PolarHBondContact O-N 3.31Å; M2484-F2487 PolarHBondContact O-N 3.2Å; M2484-F2488 HydrophobicContact CE-CE2 3.66Å; M2484-F2488 HydrophobicContact CE-CZ 4.46Å; M2484-F2488 VanDerWaalsContact O-CD2 3.32Å; M2484-F2488 WeakPolarHBondContact O-CD2 3.34Å; M2484-F2488 PolarHBondContact O-N 2.93Å; M2484-F2488 VanDerWaalsContact O-N 3.1Å |
| 2485 | M | 82.6 | Confident | 77.4 | Confident | 44 Ų | 44 | 66.9 Ų | 66.9 | 22% | 0.217 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.8 | -37.3 | 175.6 | -74.1 | -63.7 | -58.1 | 0 | 0 | 112.2 | F2481 H2482 F2489 I2494 | F2481-M2485 HydrophobicContact CD1-CG 4.39Å; F2481-M2485 HydrophobicContact CD2-CG 4.1Å; F2481-M2485 HydrophobicContact CE1-CG 3.94Å; F2481-M2485 HydrophobicContact CE2-CG 3.6Å; F2481-M2485 HydrophobicContact CE2-SD 4.05Å; F2481-M2485 HydrophobicContact CG-CG 4.47Å; F2481-M2485 HydrophobicContact CZ-CG 3.51Å; F2481-M2485 HydrophobicContact CZ-SD 4.13Å; F2481-M2485 WeakPolarHBondContact O-CB 3.33Å; F2481-M2485 VanDerWaalsContact O-CG 3.3Å; F2481-M2485 WeakPolarHBondContact O-CG 3.35Å; F2481-M2485 PolarHBondContact O-N 3.08Å; H2482-M2485 PolarHBondContact O-N 3.45Å; M2485-F2489 HydrophobicContact CE-CD2 3.73Å; M2485-F2489 HydrophobicContact CE-CE2 4.26Å; M2485-F2489 CarbonylContact O-C 3.52Å; M2485-F2489 WeakPolarHBondContact O-CA 3.41Å; M2485-F2489 WeakPolarHBondContact O-CB 3.44Å; M2485-F2489 PolarHBondContact O-N 3.33Å; M2485-F2489 HydrophobicContact SD-CD2 4.16Å; M2485-F2489 HydrophobicContact SD-CE2 4.38Å; M2485-I2494 HydrophobicContact CB-CD1 3.64Å; M2485-I2494 HydrophobicContact CG-CD1 4.45Å |
| 2486 | K | 82 | Confident | 75.6 | Confident | 137 Ų | 137 | 67.9 Ų | 67.9 | 60% | 0.596 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -67.6 | -35.8 | 175.1 | -173.1 | 178.4 | 179.3 | -179.1 | 0 | 111.9 | H2482 T2483 M2484 P2490 | H2482-K2486 WeakPolarHBondContact O-CB 3.37Å; H2482-K2486 PolarHBondContact O-N 2.76Å; T2483-K2486 PolarHBondContact O-N 3.09Å; M2484-K2486 VanDerWaalsContact C-N 3.33Å; M2484-K2486 PolarHBondContact O-N 3.31Å; K2486-P2490 VanDerWaalsContact O-CA 3.27Å; K2486-P2490 WeakPolarHBondContact O-CA 3.41Å; K2486-P2490 WeakPolarHBondContact O-CB 3.37Å; K2486-P2490 WeakPolarHBondContact O-CD 3.46Å |
| 2487 | F | 85.1 | Confident | 73.6 | Confident | 10 Ų | 10 | 68 Ų | 68 | 4% | 0.044 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.4 | -51.8 | 176.8 | -172.7 | -85.2 | 0 | 0 | 0 | 112 | Y2224 Y2227 L2362 L2371 T2483 M2484 | Y2224-F2487 WeakPolarHBondContact CD2-O 3.33Å; Y2227-F2487 HydrophobicContact CD1-CE1 4.22Å; Y2227-F2487 HydrophobicContact CG-CE1 4.18Å; L2362-F2487 HydrophobicContact CB-CE2 4.3Å; L2362-F2487 HydrophobicContact CB-CZ 4.3Å; L2362-F2487 HydrophobicContact CD1-CD1 4.19Å; L2362-F2487 HydrophobicContact CD1-CE1 4.23Å; L2362-F2487 HydrophobicContact CD2-CE1 3.75Å; L2362-F2487 HydrophobicContact CD2-CZ 3.81Å; L2362-F2487 HydrophobicContact CG-CE1 4.44Å; L2362-F2487 HydrophobicContact CG-CZ 4.47Å; L2371-F2487 HydrophobicContact CD1-CD2 4.02Å; T2483-F2487 PolarHBondContact O-N 3.45Å; M2484-F2487 PolarHBondContact O-N 3.2Å |
| 2488 | F | 84.3 | Confident | 71.5 | Confident | 61 Ų | 61 | 71.8 Ų | 71.8 | 27% | 0.268 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -82.1 | -22.2 | -177.7 | -66.9 | -67.4 | 0 | 0 | 0 | 114.1 | Y2227 W2360 L2362 M2484 | Y2227-F2488 AromaticContact CE1-CD1 3.88Å; Y2227-F2488 HydrophobicContact CE1-CD1 3.88Å; Y2227-F2488 HydrophobicContact CE1-CE1 4.24Å; Y2227-F2488 HydrophobicContact CE2-CE1 4.43Å; Y2227-F2488 AromaticContact CZ-CD1 3.96Å; Y2227-F2488 AromaticContact CZ-CE1 3.99Å; W2360-F2488 HydrophobicContact CH2-CE1 4.08Å; W2360-F2488 HydrophobicContact CH2-CZ 4.38Å; L2362-F2488 HydrophobicContact CD1-CE2 4.15Å; L2362-F2488 HydrophobicContact CD1-CZ 3.9Å; M2484-F2488 HydrophobicContact CE-CE2 3.66Å; M2484-F2488 HydrophobicContact CE-CZ 4.46Å; M2484-F2488 VanDerWaalsContact O-CD2 3.32Å; M2484-F2488 WeakPolarHBondContact O-CD2 3.34Å; M2484-F2488 PolarHBondContact O-N 2.93Å; M2484-F2488 VanDerWaalsContact O-N 3.1Å |
| 2489 | F | 81.7 | Confident | 69.4 | Low | 84 Ų | 84 | 74 Ų | 74 | 37% | 0.368 | 37% | 0.37 | S | S | . | . | trans | -140.7 | 61.7 | -175.8 | -51 | -78.6 | 0 | 0 | 0 | 112.7 | M2485 D2491 R2492 | M2485-F2489 HydrophobicContact CE-CD2 3.73Å; M2485-F2489 HydrophobicContact CE-CE2 4.26Å; M2485-F2489 CarbonylContact O-C 3.52Å; M2485-F2489 WeakPolarHBondContact O-CA 3.41Å; M2485-F2489 WeakPolarHBondContact O-CB 3.44Å; M2485-F2489 PolarHBondContact O-N 3.33Å; M2485-F2489 HydrophobicContact SD-CD2 4.16Å; M2485-F2489 HydrophobicContact SD-CE2 4.38Å; F2489-D2491 VanDerWaalsContact C-N 3.32Å; F2489-D2491 PolarHBondContact O-N 2.84Å; F2489-R2492 HydrophobicContact CB-CB 4.34Å; F2489-R2492 HydrophobicContact CB-CG 4.03Å; F2489-R2492 WeakPolarHBondContact O-CB 3.27Å; F2489-R2492 PolarHBondContact O-N 3.47Å; F2489-R2492 VanDerWaalsContact O-N 3.09Å | ||
| 2490 | P | 68.6 | Low | 67.3 | Low | 43 Ų | 43 | 71.8 Ų | 71.8 | 28% | 0.279 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -34.6 | -174.6 | 26.3 | -36.5 | 0 | 0 | 0 | 113.7 | Y2224 K2486 R2492 | Y2224-P2490 HydrophobicContact CD2-CG 4.41Å; Y2224-P2490 HydrophobicContact CE1-CG 4.41Å; Y2224-P2490 HydrophobicContact CE2-CB 4.4Å; Y2224-P2490 HydrophobicContact CE2-CG 3.47Å; Y2224-P2490 VanDerWaalsContact CE2-CG 3.47Å; Y2224-P2490 VanDerWaalsContact CZ-CG 3.47Å; Y2224-P2490 VanDerWaalsContact OH-CG 3.24Å; Y2224-P2490 WeakPolarHBondContact OH-CG 3.32Å; K2486-P2490 VanDerWaalsContact O-CA 3.27Å; K2486-P2490 WeakPolarHBondContact O-CA 3.41Å; K2486-P2490 WeakPolarHBondContact O-CB 3.37Å; K2486-P2490 WeakPolarHBondContact O-CD 3.46Å; P2490-R2492 PolarHBondContact O-N 2.92Å |
| 2491 | D | 66.2 | Low | 64.8 | Low | 142 Ų | 142 | 74.5 Ų | 74.5 | 76% | 0.759 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -9.9 | 178.8 | -65.7 | -25.1 | 0 | 0 | 0 | 113.2 | F2489 N2493 | F2489-D2491 VanDerWaalsContact C-N 3.32Å; F2489-D2491 PolarHBondContact O-N 2.84Å; D2491-N2493 PolarHBondContact O-N 2.89Å |
| 2492 | R | 63.9 | Low | 62.4 | Low | 93 Ų | 93 | 78.6 Ų | 78.6 | 35% | 0.351 | 40% | 0.395 | S | S | . | . | trans | -87.5 | 96.2 | 173.8 | -63.1 | -173.4 | 170.9 | -161.5 | -17.5 | 108.8 | F2489 P2490 I2494 | F2489-R2492 HydrophobicContact CB-CB 4.34Å; F2489-R2492 HydrophobicContact CB-CG 4.03Å; F2489-R2492 WeakPolarHBondContact O-CB 3.27Å; F2489-R2492 PolarHBondContact O-N 3.47Å; F2489-R2492 VanDerWaalsContact O-N 3.09Å; P2490-R2492 PolarHBondContact O-N 2.92Å; R2492-I2494 PolarHBondContact O-N 2.79Å | ||
| 2493 | N | 49.6 | Very low | 60.2 | Low | 110 Ų | 110 | 82.4 Ų | 82.4 | 59% | 0.588 | 42% | 0.417 | S | S | * | . | trans | -65.2 | 85.5 | 164.8 | -80.2 | -13.7 | 0 | 0 | 0 | 110.1 | D2491 E2495 T2496 A2497 | D2491-N2493 PolarHBondContact O-N 2.89Å; N2493-E2495 PolarHBondContact O-N 2.79Å; N2493-T2496 HydrophobicContact CB-CG2 4.1Å; N2493-T2496 WeakPolarHBondContact CB-OG1 3.47Å; N2493-T2496 PolarHBondContact O-N 3.37Å; N2493-T2496 PolarHBondContact O-OG1 2.79Å; N2493-A2497 PolarHBondContact O-N 3.43Å | ||
| 2494 | I | 53.8 | Low | 57.9 | Low | 42 Ų | 42 | 87.3 Ų | 87.3 | 22% | 0.215 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -55.9 | -36.3 | 175.8 | -59.7 | 164.2 | 0 | 0 | 0 | 109.7 | M2485 R2492 A2497 E2498 | M2485-I2494 HydrophobicContact CB-CD1 3.64Å; M2485-I2494 HydrophobicContact CG-CD1 4.45Å; R2492-I2494 PolarHBondContact O-N 2.79Å; I2494-A2497 WeakPolarHBondContact O-CB 3.28Å; I2494-A2497 PolarHBondContact O-N 3.35Å; I2494-E2498 PolarHBondContact O-N 2.78Å |
| 2495 | E | 48.6 | Very low | 55.5 | Low | 137 Ų | 137 | 91.2 Ų | 91.2 | 64% | 0.64 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62.3 | -45.9 | 177.9 | -64.1 | -174.8 | 168.1 | 0 | 0 | 112.6 | N2493 A2497 E2498 E2499 | N2493-E2495 PolarHBondContact O-N 2.79Å; E2495-A2497 PolarHBondContact O-N 3.1Å; E2495-E2498 CarbonylContact O-C 3.56Å; E2495-E2498 WeakPolarHBondContact O-CA 3.39Å; E2495-E2498 PolarHBondContact O-N 3.21Å; E2495-E2499 PolarHBondContact O-N 3.2Å |
| 2496 | T | 49.3 | Very low | 53 | Low | 71 Ų | 71 | 92.3 Ų | 92.3 | 44% | 0.436 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.9 | -25.7 | 177.5 | 55.5 | 0 | 0 | 0 | 0 | 113 | N2493 E2498 E2499 S2500 | N2493-T2496 HydrophobicContact CB-CG2 4.1Å; N2493-T2496 WeakPolarHBondContact CB-OG1 3.47Å; N2493-T2496 PolarHBondContact O-N 3.37Å; N2493-T2496 PolarHBondContact O-OG1 2.79Å; T2496-E2498 PolarHBondContact O-N 3.42Å; T2496-E2499 PolarHBondContact O-N 3.24Å; T2496-S2500 VanDerWaalsContact O-CB 3.23Å; T2496-S2500 WeakPolarHBondContact O-CB 3.2Å; T2496-S2500 PolarHBondContact O-N 2.9Å; T2496-S2500 PolarHBondContact O-OG 2.8Å |
| 2497 | A | 45 | Very low | 50.4 | Low | 62 Ų | 62 | 90.4 Ų | 90.4 | 51% | 0.512 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.5 | -23.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N2493 I2494 E2495 V2501 | N2493-A2497 PolarHBondContact O-N 3.43Å; I2494-A2497 WeakPolarHBondContact O-CB 3.28Å; I2494-A2497 PolarHBondContact O-N 3.35Å; E2495-A2497 PolarHBondContact O-N 3.1Å; A2497-V2501 WeakPolarHBondContact O-CG2 3.08Å |
| 2498 | E | 40.8 | Very low | 47.7 | Very low | 89 Ų | 89 | 96 Ų | 96 | 42% | 0.416 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -90.8 | -40.4 | 171.6 | -60.8 | -156.2 | 155.7 | 0 | 0 | 113.1 | I2494 E2495 T2496 V2501 R2502 | I2494-E2498 PolarHBondContact O-N 2.78Å; E2495-E2498 CarbonylContact O-C 3.56Å; E2495-E2498 WeakPolarHBondContact O-CA 3.39Å; E2495-E2498 PolarHBondContact O-N 3.21Å; T2496-E2498 PolarHBondContact O-N 3.42Å; E2498-V2501 WeakPolarHBondContact O-CA 3.44Å; E2498-V2501 WeakPolarHBondContact O-CB 3.37Å; E2498-V2501 PolarHBondContact O-N 2.86Å; E2498-V2501 VanDerWaalsContact O-N 3.14Å; E2498-R2502 PolarHBondContact O-N 2.76Å |
| 2499 | E | 39.5 | Very low | 45.1 | Very low | 114 Ų | 114 | 98.8 Ų | 98.8 | 53% | 0.533 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -70.7 | -37.3 | -179.9 | -74.6 | -166.8 | 153.6 | 0 | 0 | 113.3 | E2495 T2496 V2501 R2502 N2503 | E2495-E2499 PolarHBondContact O-N 3.2Å; T2496-E2499 PolarHBondContact O-N 3.24Å; E2499-V2501 PolarHBondContact O-N 2.77Å; E2499-R2502 PolarHBondContact O-N 2.85Å; E2499-R2502 VanDerWaalsContact O-N 3.07Å; E2499-N2503 WeakPolarHBondContact O-CB 2.89Å; E2499-N2503 PolarHBondContact O-N 2.87Å |
| 2500 | S | 41.2 | Very low | 42.5 | Very low | 69 Ų | 69 | 103.8 Ų | 103.8 | 48% | 0.483 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.2 | -29.2 | 170.6 | 58.8 | 0 | 0 | 0 | 0 | 111.7 | T2496 | T2496-S2500 VanDerWaalsContact O-CB 3.23Å; T2496-S2500 WeakPolarHBondContact O-CB 3.2Å; T2496-S2500 PolarHBondContact O-N 2.9Å; T2496-S2500 PolarHBondContact O-OG 2.8Å |
| 2501 | V | 38 | Very low | 40.7 | Very low | 64 Ų | 64 | 113.5 Ų | 113.5 | 39% | 0.388 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -77.7 | -34.8 | 174.4 | 177.8 | 0 | 0 | 0 | 0 | 111.8 | A2497 E2498 E2499 K2664 | A2497-V2501 WeakPolarHBondContact O-CG2 3.08Å; E2498-V2501 WeakPolarHBondContact O-CA 3.44Å; E2498-V2501 WeakPolarHBondContact O-CB 3.37Å; E2498-V2501 PolarHBondContact O-N 2.86Å; E2498-V2501 VanDerWaalsContact O-N 3.14Å; E2499-V2501 PolarHBondContact O-N 2.77Å; V2501-K2664 HydrophobicContact CG1-CD 4.47Å |
| 2502 | R | 35 | Very low | 38.9 | Very low | 173 Ų | 173 | 116.7 Ų | 116.7 | 65% | 0.653 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -73.8 | -40.6 | 177.3 | -71.7 | -175.4 | -176.9 | -171.7 | 4.3 | 112.5 | E2498 E2499 E2504 T2505 | E2498-R2502 PolarHBondContact O-N 2.76Å; E2499-R2502 PolarHBondContact O-N 2.85Å; E2499-R2502 VanDerWaalsContact O-N 3.07Å; R2502-E2504 VanDerWaalsContact C-N 3.32Å; R2502-E2504 PolarHBondContact O-N 2.92Å; R2502-T2505 PolarHBondContact O-N 2.7Å; R2502-T2505 PolarHBondContact O-OG1 3.08Å |
| 2503 | N | 36.8 | Very low | 37.1 | Very low | 122 Ų | 122 | 122.1 Ų | 122.1 | 65% | 0.652 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -70.7 | -25.1 | -175.4 | -70.1 | -14.9 | 0 | 0 | 0 | 113.4 | E2499 T2505 | E2499-N2503 WeakPolarHBondContact O-CB 2.89Å; E2499-N2503 PolarHBondContact O-N 2.87Å; N2503-T2505 VanDerWaalsContact C-N 3.3Å; N2503-T2505 PolarHBondContact O-N 3.04Å |
| 2504 | E | 38.9 | Very low | 36.1 | Very low | 137 Ų | 137 | 126.4 Ų | 126.4 | 64% | 0.64 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -71.3 | -23.9 | 170.8 | -75.5 | -171.1 | -179.8 | 0 | 0 | 112.9 | R2502 R2666 | R2502-E2504 VanDerWaalsContact C-N 3.32Å; R2502-E2504 PolarHBondContact O-N 2.92Å; E2504-R2666 IonicContact OE1-NH2 3.5Å; E2504-R2666 PolarHBondContact OE1-NH2 3.04Å; E2504-R2666 IonicContact OE2-CZ 3.93Å; E2504-R2666 IonicContact OE2-NH2 2.8Å; E2504-R2666 PolarHBondContact OE2-NH2 2.77Å |
| 2505 | T | 34.5 | Very low | 34.7 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 69% | 0.687 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -83.8 | -14 | -179.8 | 56.2 | 0 | 0 | 0 | 0 | 114.4 | R2502 N2503 | R2502-T2505 PolarHBondContact O-N 2.7Å; R2502-T2505 PolarHBondContact O-OG1 3.08Å; N2503-T2505 VanDerWaalsContact C-N 3.3Å; N2503-T2505 PolarHBondContact O-N 3.04Å |
| 2506 | G | 29.8 | Very low | 33.7 | Very low | 66 Ų | 66 | 136.4 Ų | 136.4 | 68% | 0.68 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -91.9 | -8.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 2507 | S | 28.2 | Very low | 32.5 | Very low | 97 Ų | 97 | 144.6 Ų | 144.6 | 68% | 0.678 | 71% | 0.713 | S | S | * | * | trans | -118.7 | 66.6 | -173.3 | -161.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 2508 | V | 29 | Very low | 31.6 | Very low | 128 Ų | 128 | 153.1 Ų | 153.1 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | trans | -106.4 | 68.1 | 162.2 | -172.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 2509 | T | 29.1 | Very low | 31 | Very low | 119 Ų | 119 | 153.7 Ų | 153.7 | 73% | 0.73 | 75% | 0.746 | S | S | * | * | trans | -111.9 | 114.3 | 166.4 | 49.2 | 0 | 0 | 0 | 0 | 110.1 | R2511 | T2509-R2511 PolarHBondContact O-N 2.68Š| ||
| 2510 | H | 27.2 | Very low | 30.2 | Very low | 190 Ų | 190 | 158.4 Ų | 158.4 | 88% | 0.88 | 77% | 0.765 | S | S | * | * | trans | -44.7 | 111.8 | 174.7 | -79.6 | -92.8 | 0 | 0 | 0 | 112.9 | ||||
| 2511 | R | 30.7 | Very low | 29.6 | Very low | 246 Ų | 246 | 160.6 Ų | 160.6 | 93% | 0.928 | 78% | 0.775 | S | S | * | * | trans | -126.7 | 129.6 | 157.3 | -84.9 | -174 | 169.8 | 170.8 | -2.1 | 112 | T2509 | T2509-R2511 PolarHBondContact O-N 2.68Š| ||
| 2512 | K | 28.4 | Very low | 28.8 | Very low | 209 Ų | 209 | 169.1 Ų | 169.1 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | -66.9 | 146 | -165.1 | -70.1 | 171.3 | 172.8 | 173.1 | 0 | 113 | K2514 | K2512-K2514 PolarHBondContact O-N 3.3Š| ||
| 2513 | K | 24.8 | Very low | 28.3 | Very low | 208 Ų | 208 | 169.9 Ų | 169.9 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | trans | -35.4 | 123.5 | 164.6 | -66.2 | 169.4 | 174.4 | 171.5 | 0 | 113.5 | ||||
| 2514 | K | 28.7 | Very low | 27.7 | Very low | 199 Ų | 199 | 169 Ų | 169 | 87% | 0.865 | 81% | 0.812 | S | S | * | * | trans | -138.9 | 116.5 | 145.7 | -82.6 | -169.3 | 177.7 | 177.2 | 0 | 109.7 | K2512 | K2512-K2514 PolarHBondContact O-N 3.3Š| ||
| 2515 | K | 24.2 | Very low | 26.8 | Very low | 205 Ų | 205 | 165.7 Ų | 165.7 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | trans | -72.8 | 120.5 | 171.1 | -72.2 | 174.6 | 173.9 | 175.5 | 0 | 108.5 | ||||
| 2516 | H | 28.7 | Very low | 26.3 | Very low | 185 Ų | 185 | 169.9 Ų | 169.9 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | trans | -141.4 | 112.6 | 152.4 | -90.6 | -68.9 | 0 | 0 | 0 | 110.2 | ||||
| 2517 | R | 24.3 | Very low | 26.1 | Very low | 242 Ų | 242 | 176.1 Ų | 176.1 | 91% | 0.913 | 82% | 0.818 | S | S | * | * | trans | -57.5 | 128.1 | 154.8 | -90.6 | 172.5 | 153.9 | 170.1 | -7.1 | 108 | ||||
| 2518 | R | 25.9 | Very low | 25.7 | Very low | 241 Ų | 241 | 181.3 Ų | 181.3 | 91% | 0.909 | 83% | 0.828 | S | S | * | * | trans | 178.9 | 146.6 | 133.9 | -100.2 | 165.4 | -179 | 174.4 | 0.4 | 112.5 | ||||
| 2519 | S | 27.7 | Very low | 25.5 | Very low | 102 Ų | 102 | 180.7 Ų | 180.7 | 71% | 0.713 | 82% | 0.824 | S | S | * | * | trans | 61.5 | 99.9 | 156.2 | 53 | 0 | 0 | 0 | 0 | 120 | V2521 | S2519-V2521 PolarHBondContact O-N 3.11Š| ||
| 2520 | K | 23.8 | Very low | 25.3 | Very low | 213 Ų | 213 | 179.9 Ų | 179.9 | 93% | 0.926 | 82% | 0.824 | S | S | * | * | trans | -32.6 | 110.1 | 143.1 | -66.7 | 167.6 | 174.9 | 173.2 | 0 | 111.8 | ||||
| 2521 | V | 27.7 | Very low | 25.2 | Very low | 114 Ų | 114 | 175 Ų | 175 | 69% | 0.691 | 81% | 0.811 | S | S | * | * | trans | -129.3 | 117.1 | 154.2 | -179.5 | 0 | 0 | 0 | 0 | 106.7 | S2519 F2523 | S2519-V2521 PolarHBondContact O-N 3.11Å; V2521-F2523 HydrophobicContact CG1-CD2 3.98Å; V2521-F2523 HydrophobicContact CG1-CE2 4.23Å; V2521-F2523 PolarHBondContact O-N 3.48Å; V2521-F2523 VanDerWaalsContact O-N 3.14Å | ||
| 2522 | R | 22.4 | Very low | 25 | Very low | 244 Ų | 244 | 172.7 Ų | 172.7 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | trans | -64.1 | 102.5 | 174 | -76.6 | 169.3 | 166.1 | 153.3 | -6.8 | 108.1 | ||||
| 2523 | F | 24 | Very low | 25 | Very low | 188 Ų | 188 | 165.2 Ų | 165.2 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -122.4 | 122.8 | 151.7 | -92.7 | -82.3 | 0 | 0 | 0 | 108.4 | V2521 S2525 | V2521-F2523 HydrophobicContact CG1-CD2 3.98Å; V2521-F2523 HydrophobicContact CG1-CE2 4.23Å; V2521-F2523 PolarHBondContact O-N 3.48Å; V2521-F2523 VanDerWaalsContact O-N 3.14Å; F2523-S2525 PolarHBondContact O-N 3.2Å | ||
| 2524 | S | 22.7 | Very low | 25.2 | Very low | 104 Ų | 104 | 160.1 Ų | 160.1 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | -38.8 | 104.6 | 177.1 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | F2526 | S2524-F2526 WeakPolarHBondContact O-CD2 3.25Å; S2524-F2526 PolarHBondContact O-N 3.26Å; S2524-F2526 VanDerWaalsContact O-N 3.11Å | ||
| 2525 | S | 21.8 | Very low | 25.2 | Very low | 68 Ų | 68 | 155.2 Ų | 155.2 | 48% | 0.476 | 75% | 0.747 | S | S | . | * | trans | -66.4 | 108.3 | 176.7 | 176.8 | 0 | 0 | 0 | 0 | 109.2 | F2523 Y2527 | F2523-S2525 PolarHBondContact O-N 3.2Å; S2525-Y2527 VanDerWaalsContact C-N 3.31Å; S2525-Y2527 WeakPolarHBondContact O-CD2 3.48Å; S2525-Y2527 PolarHBondContact O-N 2.92Å; S2525-Y2527 WeakPolarHBondContact OG-CE2 3.44Å | ||
| 2526 | F | 22.8 | Very low | 25.6 | Very low | 200 Ų | 200 | 146.5 Ų | 146.5 | 88% | 0.877 | 71% | 0.712 | S | S | * | * | trans | -53.3 | 90.3 | 160 | -74.5 | -102.8 | 0 | 0 | 0 | 109.4 | S2524 F2528 | S2524-F2526 WeakPolarHBondContact O-CD2 3.25Å; S2524-F2526 PolarHBondContact O-N 3.26Å; S2524-F2526 VanDerWaalsContact O-N 3.11Å; F2526-F2528 PolarHBondContact O-N 3.06Å | ||
| 2527 | Y | 25.4 | Very low | 25.6 | Very low | 197 Ų | 197 | 143.2 Ų | 143.2 | 77% | 0.773 | 70% | 0.695 | S | S | * | * | trans | -83.9 | 86.8 | 171 | -73.6 | -79.4 | 0 | 0 | 0 | 109 | S2525 V2529 | S2525-Y2527 VanDerWaalsContact C-N 3.31Å; S2525-Y2527 WeakPolarHBondContact O-CD2 3.48Å; S2525-Y2527 PolarHBondContact O-N 2.92Å; S2525-Y2527 WeakPolarHBondContact OG-CE2 3.44Å; Y2527-V2529 PolarHBondContact O-N 2.8Å | ||
| 2528 | F | 20.8 | Very low | 26 | Very low | 205 Ų | 205 | 138.2 Ų | 138.2 | 90% | 0.899 | 68% | 0.682 | S | S | * | * | trans | -93 | 72.3 | 165.8 | -153.1 | -94 | 0 | 0 | 0 | 108.1 | F2526 | F2526-F2528 PolarHBondContact O-N 3.06Š| ||
| 2529 | V | 25.2 | Very low | 26.1 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 70% | 0.697 | 67% | 0.669 | S | S | * | * | trans | -132.2 | 124.8 | 179.2 | 178.4 | 0 | 0 | 0 | 0 | 107.6 | Y2527 | Y2527-V2529 PolarHBondContact O-N 2.8Š| ||
| 2530 | S | 24.9 | Very low | 26.1 | Very low | 103 Ų | 103 | 129.6 Ų | 129.6 | 72% | 0.72 | 64% | 0.642 | S | S | * | * | trans | 82 | 60.6 | 168.7 | -45.6 | 0 | 0 | 0 | 0 | 118 | F2532 | S2530-F2532 VanDerWaalsContact C-N 3.27Å; S2530-F2532 PolarHBondContact O-N 3.15Å | ||
| 2531 | S | 23.8 | Very low | 26.4 | Very low | 88 Ų | 88 | 127.2 Ų | 127.2 | 62% | 0.615 | 64% | 0.638 | S | S | * | * | trans | -80.1 | 65.4 | 171.4 | -153.5 | 0 | 0 | 0 | 0 | 112.8 | A2533 | S2531-A2533 VanDerWaalsContact C-N 3.3Š| ||
| 2532 | F | 26.9 | Very low | 26.6 | Very low | 196 Ų | 196 | 126.7 Ų | 126.7 | 86% | 0.86 | 63% | 0.63 | S | S | * | * | trans | -92.8 | 4.9 | 156.8 | -92.2 | -83.7 | 0 | 0 | 0 | 111.4 | S2530 | S2530-F2532 VanDerWaalsContact C-N 3.27Å; S2530-F2532 PolarHBondContact O-N 3.15Å | ||
| 2533 | A | 29.1 | Very low | 26.9 | Very low | 53 Ų | 53 | 122.5 Ų | 122.5 | 44% | 0.438 | 61% | 0.614 | S | S | . | * | trans | -84.1 | -10.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115 | S2531 S2536 | S2531-A2533 VanDerWaalsContact C-N 3.3Å; A2533-S2536 WeakPolarHBondContact O-CA 2.86Å; A2533-S2536 VanDerWaalsContact O-CB 3.3Å; A2533-S2536 WeakPolarHBondContact O-CB 3.35Å; A2533-S2536 PolarHBondContact O-N 3.23Å | ||
| 2534 | H | 28.9 | Very low | 27.1 | Very low | 100 Ų | 100 | 122.5 Ų | 122.5 | 46% | 0.463 | 61% | 0.614 | S | S | . | * | G | 310 helix | trans | -80.1 | -21.5 | -176.3 | -84.9 | -92.6 | 0 | 0 | 0 | 115.8 | S2536 F2537 | H2534-S2536 PolarHBondContact O-N 2.73Å; H2534-F2537 AromaticContact CE1-CD2 3.63Å; H2534-F2537 AromaticContact CE1-CE2 3.51Å; H2534-F2537 AromaticContact CG-CD2 3.99Å; H2534-F2537 AromaticContact ND1-CD2 3.51Å; H2534-F2537 AromaticContact ND1-CE2 3.9Å; H2534-F2537 AromaticContact NE2-CE2 3.77Å; H2534-F2537 PolarHBondContact O-N 2.96Å |
| 2535 | I | 29.5 | Very low | 27.7 | Very low | 96 Ų | 96 | 122.4 Ų | 122.4 | 49% | 0.492 | 61% | 0.613 | S | S | . | * | G | 310 helix | trans | -69.9 | -15.7 | 162.6 | -96.5 | 162.1 | 0 | 0 | 0 | 111.4 | ||
| 2536 | S | 31.5 | Very low | 28.1 | Very low | 22 Ų | 22 | 126.2 Ų | 126.2 | 15% | 0.154 | 63% | 0.625 | C | S | . | * | G | 310 helix | trans | -86.4 | -1.4 | 172.3 | -57.7 | 0 | 0 | 0 | 0 | 113.1 | A2533 H2534 Q2538 F2539 A2540 R2543 | A2533-S2536 WeakPolarHBondContact O-CA 2.86Å; A2533-S2536 VanDerWaalsContact O-CB 3.3Å; A2533-S2536 WeakPolarHBondContact O-CB 3.35Å; A2533-S2536 PolarHBondContact O-N 3.23Å; H2534-S2536 PolarHBondContact O-N 2.73Å; S2536-Q2538 PolarHBondContact O-N 2.89Å; S2536-F2539 CarbonylContact O-C 3.55Å; S2536-F2539 PolarHBondContact O-N 3.39Å; S2536-F2539 VanDerWaalsContact O-N 3.08Å; S2536-A2540 WeakPolarHBondContact O-CA 3.14Å; S2536-A2540 WeakPolarHBondContact O-CB 3.42Å; S2536-A2540 PolarHBondContact O-N 3.47Å; S2536-R2543 PolarHBondContact OG-NH1 3.33Å |
| 2537 | F | 29.2 | Very low | 28.5 | Very low | 116 Ų | 116 | 124.7 Ų | 124.7 | 51% | 0.509 | 62% | 0.623 | S | S | . | * | G | 310 helix | trans | -69.6 | -30.4 | -179 | -102.7 | -88.3 | 0 | 0 | 0 | 113.7 | H2534 F2539 A2540 | H2534-F2537 AromaticContact CE1-CD2 3.63Å; H2534-F2537 AromaticContact CE1-CE2 3.51Å; H2534-F2537 AromaticContact CG-CD2 3.99Å; H2534-F2537 AromaticContact ND1-CD2 3.51Å; H2534-F2537 AromaticContact ND1-CE2 3.9Å; H2534-F2537 AromaticContact NE2-CE2 3.77Å; H2534-F2537 PolarHBondContact O-N 2.96Å; F2537-F2539 PolarHBondContact O-N 3.01Å; F2537-A2540 HydrophobicContact CD1-CB 4.39Å; F2537-A2540 HydrophobicContact CG-CB 4.46Å; F2537-A2540 PolarHBondContact O-N 3.49Å |
| 2538 | Q | 31.3 | Very low | 29.1 | Very low | 137 Ų | 137 | 120.6 Ų | 120.6 | 64% | 0.64 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -77.9 | -6 | 172 | -145.1 | 154.1 | -4.3 | 0 | 0 | 113.5 | N2235 S2536 | N2235-Q2538 PolarHBondContact ND2-NE2 3.5Å; S2536-Q2538 PolarHBondContact O-N 2.89Å |
| 2539 | F | 28 | Very low | 30 | Very low | 143 Ų | 143 | 119.9 Ų | 119.9 | 63% | 0.627 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -122.2 | 10.5 | 168.6 | -75 | -78 | 0 | 0 | 0 | 113.2 | S2536 F2537 I2542 | S2536-F2539 CarbonylContact O-C 3.55Å; S2536-F2539 PolarHBondContact O-N 3.39Å; S2536-F2539 VanDerWaalsContact O-N 3.08Å; F2537-F2539 PolarHBondContact O-N 3.01Å; F2539-I2542 HydrophobicContact CD1-CD1 4.29Å; F2539-I2542 PolarHBondContact O-N 3.3Å |
| 2540 | A | 28.9 | Very low | 30.5 | Very low | 19 Ų | 19 | 125 Ų | 125 | 16% | 0.157 | 63% | 0.63 | C | S | . | * | G | 310 helix | trans | -83.2 | -22.6 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S2536 F2537 I2542 R2543 | S2536-A2540 WeakPolarHBondContact O-CA 3.14Å; S2536-A2540 WeakPolarHBondContact O-CB 3.42Å; S2536-A2540 PolarHBondContact O-N 3.47Å; F2537-A2540 HydrophobicContact CD1-CB 4.39Å; F2537-A2540 HydrophobicContact CG-CB 4.46Å; F2537-A2540 PolarHBondContact O-N 3.49Å; A2540-I2542 PolarHBondContact O-N 2.97Å; A2540-I2542 VanDerWaalsContact O-N 3.12Å; A2540-R2543 PolarHBondContact O-N 3.01Å |
| 2541 | I | 30 | Very low | 31.2 | Very low | 164 Ų | 164 | 130.9 Ų | 130.9 | 84% | 0.841 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -59.8 | -21.5 | 170.5 | -62.7 | 176.8 | 0 | 0 | 0 | 110.2 | ||
| 2542 | I | 30.6 | Very low | 32 | Very low | 103 Ų | 103 | 136.4 Ų | 136.4 | 53% | 0.528 | 65% | 0.649 | S | S | . | * | G | 310 helix | trans | -85.2 | -16 | 173.5 | -58.9 | 177 | 0 | 0 | 0 | 112.9 | F2539 A2540 | F2539-I2542 HydrophobicContact CD1-CD1 4.29Å; F2539-I2542 PolarHBondContact O-N 3.3Å; A2540-I2542 PolarHBondContact O-N 2.97Å; A2540-I2542 VanDerWaalsContact O-N 3.12Å |
| 2543 | R | 29.2 | Very low | 32.4 | Very low | 155 Ų | 155 | 133.8 Ų | 133.8 | 59% | 0.585 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | -24.9 | -169.4 | -76.1 | -172.3 | 179.6 | 160.8 | 2.3 | 116.8 | S2536 A2540 | S2536-R2543 PolarHBondContact OG-NH1 3.33Å; A2540-R2543 PolarHBondContact O-N 3.01Å |
| 2544 | K | 29.6 | Very low | 33 | Very low | 189 Ų | 189 | 135.5 Ų | 135.5 | 82% | 0.822 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -90.9 | -7.3 | -167.5 | -87.7 | -175.1 | 177.6 | 176.7 | 0 | 117.3 | ||
| 2545 | S | 34.2 | Very low | 33.7 | Very low | 101 Ų | 101 | 141.2 Ų | 141.2 | 71% | 0.706 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -104.1 | -5.7 | -175.3 | 68.8 | 0 | 0 | 0 | 0 | 117.1 | ||
| 2546 | M | 31.3 | Very low | 34.6 | Very low | 148 Ų | 148 | 142.8 Ų | 142.8 | 73% | 0.729 | 68% | 0.677 | S | S | * | * | trans | -137 | 42.7 | -169.8 | -72.2 | -163 | 162.5 | 0 | 0 | 115.7 | P2548 | M2546-P2548 VanDerWaalsContact C-CD 3.47Å; M2546-P2548 WeakPolarHBondContact O-CD 3.44Å | ||
| 2547 | M | 30.8 | Very low | 35.5 | Very low | 169 Ų | 169 | 146.7 Ų | 146.7 | 83% | 0.833 | 70% | 0.702 | S | S | * | * | trans | -91.4 | 95.1 | 159.1 | -77.3 | -125.9 | 157.3 | 0 | 0 | 109.6 | K2549 | M2547-K2549 PolarHBondContact O-N 3.13Š| ||
| 2548 | P | 38.3 | Very low | 36.8 | Very low | 110 Ų | 110 | 143 Ų | 143 | 71% | 0.714 | 70% | 0.697 | S | S | * | * | trans | -61.1 | 123.4 | 164.5 | 24 | -29.6 | 0 | 0 | 0 | 107.9 | M2546 K2550 | M2546-P2548 VanDerWaalsContact C-CD 3.47Å; M2546-P2548 WeakPolarHBondContact O-CD 3.44Å; P2548-K2550 PolarHBondContact O-N 2.9Å | ||
| 2549 | K | 39.1 | Very low | 38.2 | Very low | 190 Ų | 190 | 139.9 Ų | 139.9 | 83% | 0.826 | 69% | 0.685 | S | S | * | * | trans | -44.3 | 125.4 | 168.8 | -72.1 | 176.9 | 177.3 | 173.9 | 0 | 107.6 | M2547 R2551 | M2547-K2549 PolarHBondContact O-N 3.13Å; K2549-R2551 VanDerWaalsContact C-N 3.26Å; K2549-R2551 PolarHBondContact O-N 3.4Å | ||
| 2550 | K | 35.7 | Very low | 39.9 | Very low | 223 Ų | 223 | 139.9 Ų | 139.9 | 97% | 0.97 | 68% | 0.682 | S | S | * | * | trans | -43.9 | 85.4 | 177.8 | -72.9 | 179.3 | 175.3 | 179.2 | 0 | 111.2 | P2548 | P2548-K2550 PolarHBondContact O-N 2.9Š| ||
| 2551 | R | 39.4 | Very low | 41.7 | Very low | 227 Ų | 227 | 142 Ų | 142 | 86% | 0.857 | 69% | 0.69 | S | S | * | * | trans | -93.1 | 132.4 | 168.1 | -80.7 | -177.3 | 165.5 | 166.9 | -4.6 | 105.9 | K2549 L2553 | K2549-R2551 VanDerWaalsContact C-N 3.26Å; K2549-R2551 PolarHBondContact O-N 3.4Å; R2551-L2553 PolarHBondContact O-N 3.28Å | ||
| 2552 | K | 39.7 | Very low | 43.5 | Very low | 203 Ų | 203 | 137.2 Ų | 137.2 | 88% | 0.883 | 67% | 0.666 | S | S | * | * | trans | -48.3 | 125.8 | -179.6 | -72.5 | 175.4 | 174 | 179.5 | 0 | 108.9 | T2554 | K2552-T2554 PolarHBondContact O-N 3.05Š| ||
| 2553 | L | 36.7 | Very low | 45.4 | Very low | 142 Ų | 142 | 135.3 Ų | 135.3 | 74% | 0.743 | 66% | 0.656 | S | S | * | * | trans | -55.6 | 100 | -177.7 | -131.1 | 79 | 0 | 0 | 0 | 109.3 | R2551 | R2551-L2553 PolarHBondContact O-N 3.28Š| ||
| 2554 | T | 41.8 | Very low | 47.2 | Very low | 88 Ų | 88 | 130.3 Ų | 130.3 | 54% | 0.54 | 64% | 0.64 | S | S | . | * | trans | -79 | 141.7 | 164.7 | 47.7 | 0 | 0 | 0 | 0 | 108 | K2552 E2556 N2559 | K2552-T2554 PolarHBondContact O-N 3.05Å; T2554-E2556 PolarHBondContact O-N 3.34Å; T2554-N2559 PolarHBondContact O-ND2 3.39Å | ||
| 2555 | K | 43.6 | Very low | 49 | Very low | 220 Ų | 220 | 122.9 Ų | 122.9 | 96% | 0.957 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -68.6 | 41.9 | -174.4 | -65.5 | -179.8 | 174 | -179.3 | 0 | 113.5 | ||
| 2556 | E | 47.5 | Very low | 50.7 | Low | 129 Ų | 129 | 122.1 Ų | 122.1 | 60% | 0.603 | 60% | 0.595 | S | S | * | * | trans | -87.5 | 134.4 | 172.6 | -71.5 | -172 | -173 | 0 | 0 | 110.4 | T2554 G2558 N2559 | T2554-E2556 PolarHBondContact O-N 3.34Å; E2556-G2558 PolarHBondContact O-N 3.45Å; E2556-G2558 VanDerWaalsContact O-N 3.16Å; E2556-N2559 PolarHBondContact O-N 3.14Å; E2556-N2559 VanDerWaalsContact O-N 3.13Å | ||
| 2557 | P | 50.1 | Low | 52.6 | Low | 105 Ų | 105 | 122 Ų | 122 | 68% | 0.682 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -60.1 | -28.2 | -176.6 | 22.3 | -32.2 | 0 | 0 | 0 | 113 | N2559 Y2560 I2561 | P2557-N2559 VanDerWaalsContact C-N 3.31Å; P2557-N2559 PolarHBondContact O-N 2.93Å; P2557-Y2560 PolarHBondContact O-N 2.92Å; P2557-I2561 WeakPolarHBondContact O-CG1 3.47Å; P2557-I2561 PolarHBondContact O-N 2.74Å |
| 2558 | G | 57.8 | Low | 54.3 | Low | 39 Ų | 39 | 114.7 Ų | 114.7 | 40% | 0.402 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -58.7 | -39.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | E2556 Y2560 I2561 D2562 | E2556-G2558 PolarHBondContact O-N 3.45Å; E2556-G2558 VanDerWaalsContact O-N 3.16Å; G2558-Y2560 VanDerWaalsContact C-N 3.35Å; G2558-Y2560 PolarHBondContact O-N 2.79Å; G2558-I2561 PolarHBondContact O-N 2.82Å; G2558-D2562 PolarHBondContact O-N 2.81Å; G2558-D2562 VanDerWaalsContact O-N 3.13Å |
| 2559 | N | 59.9 | Low | 55.8 | Low | 70 Ų | 70 | 115.5 Ų | 115.5 | 37% | 0.374 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68 | -34.6 | -179.9 | -74.5 | -25.8 | 0 | 0 | 0 | 112.3 | T2554 E2556 P2557 L2563 | T2554-N2559 PolarHBondContact O-ND2 3.39Å; E2556-N2559 PolarHBondContact O-N 3.14Å; E2556-N2559 VanDerWaalsContact O-N 3.13Å; P2557-N2559 VanDerWaalsContact C-N 3.31Å; P2557-N2559 PolarHBondContact O-N 2.93Å; N2559-L2563 WeakPolarHBondContact O-CB 3.36Å; N2559-L2563 PolarHBondContact O-N 3.46Å |
| 2560 | Y | 64.9 | Low | 57.4 | Low | 144 Ų | 144 | 111.9 Ų | 111.9 | 57% | 0.565 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -68.7 | -44.6 | 178.8 | -172.1 | -107.6 | 0 | 0 | 0 | 111.1 | P2557 G2558 D2562 L2563 M2564 | P2557-Y2560 PolarHBondContact O-N 2.92Å; G2558-Y2560 VanDerWaalsContact C-N 3.35Å; G2558-Y2560 PolarHBondContact O-N 2.79Å; Y2560-D2562 VanDerWaalsContact C-N 3.32Å; Y2560-D2562 PolarHBondContact O-N 2.77Å; Y2560-L2563 PolarHBondContact O-N 2.98Å; Y2560-M2564 HydrophobicContact CD1-CG 4.26Å; Y2560-M2564 HydrophobicContact CD1-SD 3.36Å; Y2560-M2564 WeakPolarHBondContact CD1-SD 3.18Å; Y2560-M2564 HydrophobicContact CE1-CE 4.25Å; Y2560-M2564 HydrophobicContact CE1-CG 4.01Å; Y2560-M2564 HydrophobicContact CE1-SD 3.05Å; Y2560-M2564 WeakPolarHBondContact CE1-SD 3.48Å; Y2560-M2564 HydrophobicContact CG-SD 4.31Å; Y2560-M2564 WeakPolarHBondContact O-CG 3.48Å; Y2560-M2564 PolarHBondContact O-N 2.84Å |
| 2561 | I | 65.4 | Low | 59.5 | Low | 63 Ų | 63 | 103.6 Ų | 103.6 | 32% | 0.323 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.3 | -42.1 | 177.9 | -60.1 | 171.3 | 0 | 0 | 0 | 110.3 | P2557 G2558 M2564 K2565 | P2557-I2561 WeakPolarHBondContact O-CG1 3.47Å; P2557-I2561 PolarHBondContact O-N 2.74Å; G2558-I2561 PolarHBondContact O-N 2.82Å; I2561-M2564 PolarHBondContact O-N 2.8Å; I2561-K2565 VanDerWaalsContact CG2-CE 3.46Å; I2561-K2565 WeakPolarHBondContact O-CG 3.34Å; I2561-K2565 PolarHBondContact O-N 2.76Å |
| 2562 | D | 68.6 | Low | 61.6 | Low | 64 Ų | 64 | 93.7 Ų | 93.7 | 34% | 0.342 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -71.5 | -33.3 | 177.9 | -73.8 | -18.4 | 0 | 0 | 0 | 113.1 | K2254 G2558 Y2560 K2565 L2566 | K2254-D2562 IonicContact NZ-OD1 3.67Å; K2254-D2562 PolarHBondContact NZ-OD1 2.74Å; K2254-D2562 IonicContact NZ-OD2 2.67Å; G2558-D2562 PolarHBondContact O-N 2.81Å; G2558-D2562 VanDerWaalsContact O-N 3.13Å; Y2560-D2562 VanDerWaalsContact C-N 3.32Å; Y2560-D2562 PolarHBondContact O-N 2.77Å; D2562-K2565 PolarHBondContact O-N 2.78Å; D2562-K2565 IonicContact OD1-NZ 2.96Å; D2562-K2565 PolarHBondContact OD1-NZ 2.8Å; D2562-L2566 WeakPolarHBondContact O-CG 3.3Å; D2562-L2566 PolarHBondContact O-N 2.64Å |
| 2563 | L | 71.1 | Confident | 63.7 | Low | 62 Ų | 62 | 85.7 Ų | 85.7 | 33% | 0.325 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 171.7 | -173.1 | 71.6 | 0 | 0 | 0 | 111.8 | N2559 Y2560 L2566 R2567 | N2559-L2563 WeakPolarHBondContact O-CB 3.36Å; N2559-L2563 PolarHBondContact O-N 3.46Å; Y2560-L2563 PolarHBondContact O-N 2.98Å; L2563-L2566 PolarHBondContact O-N 2.84Å; L2563-R2567 PolarHBondContact O-N 2.76Å |
| 2564 | M | 66.4 | Low | 66 | Low | 50 Ų | 50 | 79 Ų | 79 | 25% | 0.246 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.4 | -44.9 | 174.1 | -70.9 | 169.5 | 74.9 | 0 | 0 | 110.9 | Y2560 I2561 L2566 R2567 A2568 | Y2560-M2564 HydrophobicContact CD1-CG 4.26Å; Y2560-M2564 HydrophobicContact CD1-SD 3.36Å; Y2560-M2564 WeakPolarHBondContact CD1-SD 3.18Å; Y2560-M2564 HydrophobicContact CE1-CE 4.25Å; Y2560-M2564 HydrophobicContact CE1-CG 4.01Å; Y2560-M2564 HydrophobicContact CE1-SD 3.05Å; Y2560-M2564 WeakPolarHBondContact CE1-SD 3.48Å; Y2560-M2564 HydrophobicContact CG-SD 4.31Å; Y2560-M2564 WeakPolarHBondContact O-CG 3.48Å; Y2560-M2564 PolarHBondContact O-N 2.84Å; I2561-M2564 PolarHBondContact O-N 2.8Å; M2564-L2566 PolarHBondContact O-N 2.78Å; M2564-R2567 PolarHBondContact O-N 2.83Å; M2564-A2568 WeakPolarHBondContact O-CB 3.41Å; M2564-A2568 PolarHBondContact O-N 2.9Å |
| 2565 | K | 67.5 | Low | 68 | Low | 34 Ų | 34 | 76.8 Ų | 76.8 | 15% | 0.148 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59.9 | -46.1 | 175.5 | -72.3 | 171.5 | -158.1 | 147.2 | 0 | 113.6 | K2254 I2561 D2562 R2567 A2568 M2569 | K2254-K2565 HydrophobicContact CD-CD 4.38Å; K2254-K2565 HydrophobicContact CG-CD 4.14Å; K2254-K2565 VanDerWaalsContact CG-CE 3.42Å; I2561-K2565 VanDerWaalsContact CG2-CE 3.46Å; I2561-K2565 WeakPolarHBondContact O-CG 3.34Å; I2561-K2565 PolarHBondContact O-N 2.76Å; D2562-K2565 PolarHBondContact O-N 2.78Å; D2562-K2565 IonicContact OD1-NZ 2.96Å; D2562-K2565 PolarHBondContact OD1-NZ 2.8Å; K2565-R2567 PolarHBondContact O-N 2.91Å; K2565-A2568 PolarHBondContact O-N 3.49Å; K2565-A2568 VanDerWaalsContact O-N 3.16Å; K2565-M2569 WeakPolarHBondContact O-CG 3.26Å; K2565-M2569 PolarHBondContact O-N 2.88Å |
| 2566 | L | 69.6 | Low | 70 | Confident | 84 Ų | 84 | 68.6 Ų | 68.6 | 44% | 0.44 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.1 | -30.9 | 180 | -77.8 | 172.8 | 0 | 0 | 0 | 112.4 | D2562 L2563 M2564 | D2562-L2566 WeakPolarHBondContact O-CG 3.3Å; D2562-L2566 PolarHBondContact O-N 2.64Å; L2563-L2566 PolarHBondContact O-N 2.84Å; M2564-L2566 PolarHBondContact O-N 2.78Å |
| 2567 | R | 70 | Confident | 71.9 | Confident | 146 Ų | 146 | 62.5 Ų | 62.5 | 55% | 0.551 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -74 | -49.3 | 171.9 | -69.7 | 178 | 178.7 | 178.3 | -0.2 | 110.7 | L2563 M2564 K2565 M2569 K2570 N2571 | L2563-R2567 PolarHBondContact O-N 2.76Å; M2564-R2567 PolarHBondContact O-N 2.83Å; K2565-R2567 PolarHBondContact O-N 2.91Å; R2567-M2569 PolarHBondContact O-N 3.24Å; R2567-K2570 PolarHBondContact O-N 3.19Å; R2567-N2571 WeakPolarHBondContact O-CB 3.31Å; R2567-N2571 PolarHBondContact O-N 2.91Å |
| 2568 | A | 67.3 | Low | 73.9 | Confident | 15 Ų | 15 | 62.3 Ų | 62.3 | 12% | 0.124 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.1 | -40.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | G2457 G2458 I2459 M2564 K2565 K2570 | G2457-A2568 WeakPolarHBondContact O-CB 3.38Å; G2458-A2568 VanDerWaalsContact C-CB 3.42Å; G2458-A2568 WeakPolarHBondContact O-CB 3.39Å; I2459-A2568 HydrophobicContact CG1-CB 4.25Å; M2564-A2568 WeakPolarHBondContact O-CB 3.41Å; M2564-A2568 PolarHBondContact O-N 2.9Å; K2565-A2568 PolarHBondContact O-N 3.49Å; K2565-A2568 VanDerWaalsContact O-N 3.16Å; A2568-K2570 VanDerWaalsContact C-N 3.28Å; A2568-K2570 PolarHBondContact O-N 3.49Å |
| 2569 | M | 70 | Confident | 75.4 | Confident | 127 Ų | 127 | 61 Ų | 61 | 63% | 0.626 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -20 | -179.6 | -74.7 | -179.2 | 153 | 0 | 0 | 114.2 | E2250 K2565 R2567 | E2250-M2569 HydrophobicContact CG-CE 3.95Å; K2565-M2569 WeakPolarHBondContact O-CG 3.26Å; K2565-M2569 PolarHBondContact O-N 2.88Å; R2567-M2569 PolarHBondContact O-N 3.24Å |
| 2570 | K | 72.7 | Confident | 76.7 | Confident | 115 Ų | 115 | 59.5 Ų | 59.5 | 50% | 0.5 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | -42.6 | -174.3 | -70.3 | -178.2 | -178.7 | 177.2 | 0 | 111.9 | R2567 A2568 T2617 | R2567-K2570 PolarHBondContact O-N 3.19Å; A2568-K2570 VanDerWaalsContact C-N 3.28Å; A2568-K2570 PolarHBondContact O-N 3.49Å; K2570-T2617 WeakPolarHBondContact O-CG2 3.47Å |
| 2571 | N | 80.1 | Confident | 77.7 | Confident | 48 Ų | 48 | 58.2 Ų | 58.2 | 26% | 0.257 | 28% | 0.278 | S | S | . | . | trans | -100.8 | 134.5 | -168.4 | -68.5 | 7.5 | 0 | 0 | 0 | 109 | I2459 R2567 N2615 | I2459-N2571 WeakPolarHBondContact CG2-O 3.41Å; R2567-N2571 WeakPolarHBondContact O-CB 3.31Å; R2567-N2571 PolarHBondContact O-N 2.91Å; N2571-N2615 VanDerWaalsContact CB-OD1 3.31Å; N2571-N2615 WeakPolarHBondContact CB-OD1 3.47Å | ||
| 2572 | I | 82.5 | Confident | 78.7 | Confident | 19 Ų | 19 | 55.5 Ų | 55.5 | 10% | 0.097 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 131.6 | 176.2 | -55.5 | 179.9 | 0 | 0 | 0 | 106.3 | L2462 F2574 N2615 W2616 W2618 | L2462-I2572 HydrophobicContact CB-CG2 4.33Å; L2462-I2572 HydrophobicContact CD1-CG2 3.64Å; L2462-I2572 HydrophobicContact CG-CG2 3.59Å; I2572-F2574 HydrophobicContact CB-CD2 4.37Å; I2572-F2574 HydrophobicContact CB-CE2 3.85Å; I2572-F2574 HydrophobicContact CB-CZ 4.07Å; I2572-F2574 HydrophobicContact CD1-CZ 4.43Å; I2572-F2574 HydrophobicContact CG2-CD2 4.4Å; I2572-F2574 HydrophobicContact CG2-CE1 4.3Å; I2572-F2574 HydrophobicContact CG2-CE2 4.13Å; I2572-F2574 HydrophobicContact CG2-CZ 4.07Å; I2572-F2574 WeakPolarHBondContact O-CD2 3.31Å; I2572-F2574 PolarHBondContact O-N 3.15Å; I2572-N2615 WeakPolarHBondContact O-CA 3.34Å; I2572-N2615 PolarHBondContact O-OD1 2.9Å; I2572-W2616 PolarHBondContact N-O 3.15Å; I2572-W2616 PolarHBondContact O-N 3.22Å; I2572-W2616 VanDerWaalsContact O-O 3.13Å; I2572-W2618 VanDerWaalsContact CD1-CD1 3.44Å; I2572-W2618 HydrophobicContact CD1-CD2 4.45Å; I2572-W2618 HydrophobicContact CD1-CG 4.23Å |
| 2573 | L | 84 | Confident | 79.5 | Confident | 36 Ų | 36 | 55.3 Ų | 55.3 | 19% | 0.188 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 105.1 | 172.3 | -179 | 64.7 | 0 | 0 | 0 | 108.6 | F2454 I2459 T2460 V2461 L2462 M2575 N2615 | F2454-L2573 HydrophobicContact CD1-CD2 4.09Å; I2459-L2573 HydrophobicContact CG2-CB 4.04Å; T2460-L2573 PolarHBondContact O-N 3.08Å; V2461-L2573 CarbonylContact C-O 3.6Å; V2461-L2573 WeakPolarHBondContact CA-O 3.37Å; V2461-L2573 HydrophobicContact CG1-CB 4.48Å; V2461-L2573 HydrophobicContact CG1-CD2 4.14Å; V2461-L2573 HydrophobicContact CG1-CG 4.42Å; V2461-L2573 HydrophobicContact CG2-CB 4.28Å; V2461-L2573 HydrophobicContact CG2-CD2 4.14Å; L2462-L2573 PolarHBondContact N-O 3.11Å; L2573-M2575 HydrophobicContact CD2-SD 4.05Å; L2573-M2575 HydrophobicContact CG-SD 4.25Å; L2573-N2615 HydrophobicContact CD1-CB 4.34Å |
| 2574 | F | 84.6 | Confident | 80.2 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 107.3 | 172.8 | -62.5 | -87.2 | 0 | 0 | 0 | 109.7 | L2462 L2465 I2572 V2577 N2613 Q2614 W2616 W2618 L2621 | L2462-F2574 HydrophobicContact CB-CD1 4.25Å; L2462-F2574 HydrophobicContact CD1-CD1 3.78Å; L2462-F2574 HydrophobicContact CD1-CE1 3.46Å; L2462-F2574 VanDerWaalsContact CD1-CE1 3.46Å; L2462-F2574 HydrophobicContact CD1-CZ 4.28Å; L2465-F2574 HydrophobicContact CD2-CD1 4.35Å; L2465-F2574 HydrophobicContact CD2-CE1 4.13Å; I2572-F2574 HydrophobicContact CB-CD2 4.37Å; I2572-F2574 HydrophobicContact CB-CE2 3.85Å; I2572-F2574 HydrophobicContact CB-CZ 4.07Å; I2572-F2574 HydrophobicContact CD1-CZ 4.43Å; I2572-F2574 HydrophobicContact CG2-CD2 4.4Å; I2572-F2574 HydrophobicContact CG2-CE1 4.3Å; I2572-F2574 HydrophobicContact CG2-CE2 4.13Å; I2572-F2574 HydrophobicContact CG2-CZ 4.07Å; I2572-F2574 WeakPolarHBondContact O-CD2 3.31Å; I2572-F2574 PolarHBondContact O-N 3.15Å; F2574-V2577 HydrophobicContact CB-CG2 3.69Å; F2574-V2577 HydrophobicContact CD1-CG2 3.64Å; F2574-V2577 HydrophobicContact CG-CG2 3.93Å; F2574-N2613 CarbonylContact O-C 3.59Å; F2574-N2613 WeakPolarHBondContact O-CA 3.32Å; F2574-N2613 PolarHBondContact O-N 2.69Å; F2574-Q2614 PolarHBondContact N-O 2.85Å; F2574-Q2614 PolarHBondContact O-N 3.38Å; F2574-W2616 HydrophobicContact CD2-CB 4.05Å; F2574-W2616 HydrophobicContact CE2-CB 3.93Å; F2574-W2616 WeakPolarHBondContact CE2-O 3.31Å; F2574-W2618 HydrophobicContact CE1-CE3 4.41Å; F2574-W2618 HydrophobicContact CE1-CH2 4.21Å; F2574-W2618 HydrophobicContact CE1-CZ3 4.14Å; F2574-W2618 HydrophobicContact CZ-CD2 4.34Å; F2574-W2618 HydrophobicContact CZ-CE3 4.26Å; F2574-W2618 HydrophobicContact CZ-CZ3 4.45Å; F2574-L2621 HydrophobicContact CD1-CD2 4.27Å; F2574-L2621 HydrophobicContact CE1-CD2 3.65Å; F2574-L2621 HydrophobicContact CE2-CB 4.48Å; F2574-L2621 HydrophobicContact CZ-CB 4.36Å; F2574-L2621 HydrophobicContact CZ-CD2 3.8Å |
| 2575 | M | 84.2 | Confident | 81.1 | Confident | 41 Ų | 41 | 52.8 Ų | 52.8 | 20% | 0.202 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | -50 | 177.1 | -67 | -65.5 | -64 | 0 | 0 | 111 | F2454 V2461 L2462 E2463 L2573 H2612 N2613 | F2454-M2575 HydrophobicContact CD1-CE 4.46Å; F2454-M2575 HydrophobicContact CD1-SD 4.08Å; F2454-M2575 HydrophobicContact CE1-CE 3.98Å; F2454-M2575 HydrophobicContact CE1-SD 3.96Å; F2454-M2575 HydrophobicContact CZ-CE 4.16Å; V2461-M2575 HydrophobicContact CG1-CG 3.71Å; V2461-M2575 HydrophobicContact CG1-SD 4.38Å; L2462-M2575 WeakPolarHBondContact O-CB 3.4Å; L2462-M2575 PolarHBondContact O-N 3.43Å; E2463-M2575 WeakPolarHBondContact O-CB 3.33Å; L2573-M2575 HydrophobicContact CD2-SD 4.05Å; L2573-M2575 HydrophobicContact CG-SD 4.25Å; M2575-H2612 VanDerWaalsContact O-CA 3.27Å; M2575-H2612 WeakPolarHBondContact O-CA 3.42Å; M2575-N2613 VanDerWaalsContact CE-OD1 3.22Å; M2575-N2613 WeakPolarHBondContact CE-OD1 3.38Å; M2575-N2613 PolarHBondContact O-N 3Å; M2575-N2613 PolarHBondContact SD-OD1 3.32Å |
| 2576 | N | 86.2 | Confident | 81.8 | Confident | 48 Ų | 48 | 52.9 Ų | 52.9 | 26% | 0.257 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 117.1 | 177.4 | -172.3 | 15.5 | 0 | 0 | 0 | 111 | E2463 H2464 L2465 H2612 | E2463-N2576 WeakPolarHBondContact O-CB 3.34Å; E2463-N2576 PolarHBondContact O-N 3.07Å; H2464-N2576 WeakPolarHBondContact CA-O 3.34Å; H2464-N2576 PolarHBondContact ND1-ND2 2.96Å; L2465-N2576 PolarHBondContact N-O 2.91Å; N2576-H2612 PolarHBondContact OD1-CE1 2.88Å; N2576-H2612 VanDerWaalsContact OD1-CE1 3.29Å; N2576-H2612 PolarHBondContact OD1-ND1 3.06Å |
| 2577 | V | 87.8 | Confident | 82.4 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.012 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 125.5 | 169.5 | -175.1 | 0 | 0 | 0 | 0 | 108.6 | L2465 F2574 E2610 Y2611 L2621 | L2465-V2577 HydrophobicContact CB-CG1 4.41Å; L2465-V2577 HydrophobicContact CB-CG2 4.32Å; L2465-V2577 HydrophobicContact CD2-CG1 3.85Å; L2465-V2577 HydrophobicContact CD2-CG2 4.18Å; L2465-V2577 HydrophobicContact CG-CG1 4.18Å; L2465-V2577 CarbonylContact O-C 3.55Å; L2465-V2577 WeakPolarHBondContact O-CA 3.24Å; F2574-V2577 HydrophobicContact CB-CG2 3.69Å; F2574-V2577 HydrophobicContact CD1-CG2 3.64Å; F2574-V2577 HydrophobicContact CG-CG2 3.93Å; V2577-E2610 VanDerWaalsContact O-CA 3.27Å; V2577-E2610 WeakPolarHBondContact O-CA 3.37Å; V2577-Y2611 PolarHBondContact N-O 2.75Å; V2577-Y2611 PolarHBondContact O-N 3.01Å; V2577-L2621 HydrophobicContact CG1-CD1 4.27Å; V2577-L2621 HydrophobicContact CG2-CD1 4.37Å |
| 2578 | R | 90.8 | Very high | 83 | Confident | 101 Ų | 101 | 45.7 Ų | 45.7 | 38% | 0.381 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 123.3 | 177.6 | -170.7 | -177.4 | -170.7 | -158.5 | 8 | 110 | L2465 E2466 V2467 L2608 I2609 E2610 | L2465-R2578 PolarHBondContact O-N 3.44Å; E2466-R2578 CarbonylContact C-O 3.59Å; E2466-R2578 VanDerWaalsContact CA-O 3.31Å; E2466-R2578 WeakPolarHBondContact CA-O 3.34Å; E2466-R2578 IonicContact OE1-CZ 3.81Å; E2466-R2578 IonicContact OE1-NE 3.8Å; E2466-R2578 IonicContact OE1-NH1 3.69Å; E2466-R2578 PolarHBondContact OE1-NH1 2.79Å; V2467-R2578 PolarHBondContact N-O 3Å; R2578-L2608 HydrophobicContact CG-CD1 4.3Å; R2578-I2609 CarbonylContact C-O 3.6Å; R2578-I2609 WeakPolarHBondContact CA-O 3.31Å; R2578-E2610 HydrophobicContact CG-CG 4.22Å; R2578-E2610 IonicContact NE-OE1 2.9Å |
| 2579 | V | 89.4 | Confident | 83.5 | Confident | 11 Ų | 11 | 49.6 Ų | 49.6 | 7% | 0.067 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 121 | 168.1 | -171.9 | 0 | 0 | 0 | 0 | 107.1 | V2467 F2606 L2608 I2609 I2625 | V2467-V2579 HydrophobicContact CB-CG1 4.19Å; V2467-V2579 HydrophobicContact CB-CG2 4.21Å; V2467-V2579 HydrophobicContact CG1-CG1 4.29Å; V2467-V2579 WeakPolarHBondContact O-CA 3.33Å; V2579-F2606 HydrophobicContact CG1-CE1 3.74Å; V2579-F2606 HydrophobicContact CG1-CZ 4.45Å; V2579-L2608 WeakPolarHBondContact O-CA 3.17Å; V2579-L2608 WeakPolarHBondContact O-CD1 3.42Å; V2579-I2609 HydrophobicContact CB-CB 4.09Å; V2579-I2609 HydrophobicContact CG2-CB 4.32Å; V2579-I2609 PolarHBondContact N-O 3.45Å; V2579-I2609 PolarHBondContact O-N 2.84Å; V2579-I2625 HydrophobicContact CG2-CD1 4.35Å |
| 2580 | N | 88.6 | Confident | 83.7 | Confident | 39 Ų | 39 | 44 Ų | 44 | 21% | 0.209 | 22% | 0.215 | C | C | . | . | trans | -62 | 155.5 | -174.4 | 68 | -27.6 | 0 | 0 | 0 | 112.9 | V2467 S2468 V2469 V2582 | V2467-N2580 PolarHBondContact O-N 2.82Å; V2467-N2580 VanDerWaalsContact O-N 3.13Å; V2467-N2580 PolarHBondContact O-OD1 2.71Å; S2468-N2580 WeakPolarHBondContact CA-OD1 3.43Å; V2469-N2580 PolarHBondContact N-ND2 2.79Å; V2469-N2580 PolarHBondContact N-OD1 3.01Å; V2469-N2580 PolarHBondContact O-ND2 3.49Å; N2580-V2582 VanDerWaalsContact OD1-CG2 3.27Å; N2580-V2582 WeakPolarHBondContact OD1-CG2 3.24Å | ||
| 2581 | E | 85.4 | Confident | 83.6 | Confident | 117 Ų | 117 | 42.3 Ų | 42.3 | 55% | 0.547 | 22% | 0.222 | S | C | . | . | trans | -73.6 | 130.3 | 168.6 | -179.3 | 168.7 | -163.2 | 0 | 0 | 109.4 | T2605 F2606 L2608 | E2581-T2605 HydrophobicContact CG-CG2 3.6Å; E2581-T2605 WeakPolarHBondContact OE1-CG2 3.37Å; E2581-F2606 CarbonylContact C-O 3.55Å; E2581-F2606 VanDerWaalsContact CA-O 3.24Å; E2581-F2606 WeakPolarHBondContact CA-O 3.43Å; E2581-F2606 WeakPolarHBondContact CG-O 3.24Å; E2581-L2608 HydrophobicContact CB-CB 4.12Å | ||
| 2582 | V | 86.3 | Confident | 83 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.03 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 116.8 | -174.7 | -174.2 | 0 | 0 | 0 | 0 | 109.9 | V2469 R2470 P2471 N2580 I2584 F2606 | V2469-V2582 HydrophobicContact CB-CG2 4.28Å; V2469-V2582 WeakPolarHBondContact O-CG2 3.43Å; R2470-V2582 WeakPolarHBondContact O-CG1 3.4Å; P2471-V2582 HydrophobicContact CG-CG1 4.46Å; N2580-V2582 VanDerWaalsContact OD1-CG2 3.27Å; N2580-V2582 WeakPolarHBondContact OD1-CG2 3.24Å; V2582-I2584 HydrophobicContact CG1-CG1 4.05Å; V2582-I2584 PolarHBondContact O-N 2.98Å; V2582-F2606 HydrophobicContact CB-CB 4.27Å; V2582-F2606 PolarHBondContact N-O 3.42Å; V2582-F2606 WeakPolarHBondContact O-CA 2.82Å; V2582-F2606 VanDerWaalsContact O-CB 3.25Å; V2582-F2606 WeakPolarHBondContact O-CB 3.04Å; V2582-F2606 PolarHBondContact O-N 2.82Å |
| 2583 | P | 85.9 | Confident | 81.9 | Confident | 60 Ų | 60 | 48.9 Ų | 48.9 | 39% | 0.39 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 128.2 | 166.7 | 28.3 | -32.3 | 0 | 0 | 0 | 109.7 | P2471 | P2471-P2583 VanDerWaalsContact CA-O 3.31Å; P2471-P2583 WeakPolarHBondContact CA-O 3.4Å; P2471-P2583 HydrophobicContact CB-CG 4.12Å; P2471-P2583 VanDerWaalsContact CB-O 3.32Å; P2471-P2583 WeakPolarHBondContact CB-O 3.45Å; P2471-P2583 HydrophobicContact CG-CG 3.88Å |
| 2584 | I | 84.5 | Confident | 80.6 | Confident | 41 Ų | 41 | 48.7 Ų | 48.7 | 21% | 0.21 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 124.8 | -179.6 | -57 | 176.1 | 0 | 0 | 0 | 107.3 | M2472 V2474 V2582 V2586 L2604 F2606 | M2472-I2584 WeakPolarHBondContact O-CA 3.45Å; M2472-I2584 WeakPolarHBondContact O-CG2 3.31Å; V2474-I2584 HydrophobicContact CG2-CG2 3.77Å; V2582-I2584 HydrophobicContact CG1-CG1 4.05Å; V2582-I2584 PolarHBondContact O-N 2.98Å; I2584-V2586 HydrophobicContact CG2-CG2 3.71Å; I2584-L2604 PolarHBondContact N-O 3.4Å; I2584-L2604 PolarHBondContact O-N 3.41Å; I2584-L2604 VanDerWaalsContact O-O 3.09Å; I2584-F2606 HydrophobicContact CD1-CB 4.02Å |
| 2585 | V | 85.4 | Confident | 79.3 | Confident | 18 Ų | 18 | 58.5 Ų | 58.5 | 11% | 0.109 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 115 | 174.5 | -176.5 | 0 | 0 | 0 | 0 | 108 | M2472 I2473 V2474 N2601 E2603 | M2472-V2585 PolarHBondContact O-N 3.19Å; M2472-V2585 VanDerWaalsContact O-N 3.16Å; I2473-V2585 WeakPolarHBondContact CA-O 3.41Å; I2473-V2585 HydrophobicContact CG1-CB 4.39Å; V2474-V2585 PolarHBondContact N-O 3.13Å; V2585-N2601 HydrophobicContact CG1-CB 4.27Å; V2585-E2603 HydrophobicContact CG2-CG 4.35Å |
| 2586 | V | 82 | Confident | 78.1 | Confident | 37 Ų | 37 | 62.8 Ų | 62.8 | 22% | 0.224 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 126.5 | -177.7 | -175.3 | 0 | 0 | 0 | 0 | 110.6 | V2474 I2584 F2602 L2604 | V2474-V2586 HydrophobicContact CB-CG2 4.31Å; V2474-V2586 CarbonylContact O-C 3.56Å; V2474-V2586 WeakPolarHBondContact O-CA 3.32Å; I2584-V2586 HydrophobicContact CG2-CG2 3.71Å; V2586-F2602 PolarHBondContact N-O 2.93Å; V2586-F2602 PolarHBondContact O-N 2.78Å; V2586-L2604 HydrophobicContact CB-CD1 4.28Å; V2586-L2604 HydrophobicContact CG2-CD1 3.88Å |
| 2587 | T | 83.5 | Confident | 76.9 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.012 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 127.8 | 163.3 | 77.7 | 0 | 0 | 0 | 0 | 108.4 | V2474 Q2475 M2476 F2599 N2601 | V2474-T2587 PolarHBondContact O-N 3.08Å; Q2475-T2587 WeakPolarHBondContact CA-O 3.46Å; Q2475-T2587 VanDerWaalsContact CA-OG1 3.25Å; Q2475-T2587 WeakPolarHBondContact CA-OG1 2.93Å; Q2475-T2587 WeakPolarHBondContact CB-OG1 3.44Å; Q2475-T2587 HydrophobicContact CG-CG2 4.31Å; Q2475-T2587 VanDerWaalsContact CG-OG1 3.24Å; Q2475-T2587 WeakPolarHBondContact CG-OG1 3.18Å; M2476-T2587 PolarHBondContact N-O 2.75Å; T2587-F2599 CarbonylContact C-O 2.98Å; T2587-F2599 WeakPolarHBondContact CA-O 3.37Å; T2587-N2601 WeakPolarHBondContact CG2-OD1 3.43Å |
| 2588 | Y | 82.2 | Confident | 75.9 | Confident | 77 Ų | 77 | 65.8 Ų | 65.8 | 30% | 0.302 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 131.7 | -178.2 | 179.2 | -107.2 | 0 | 0 | 0 | 110.6 | M2476 Y2478 D2597 N2598 F2599 | M2476-Y2588 HydrophobicContact CB-CD2 4.39Å; M2476-Y2588 VanDerWaalsContact O-CA 3.31Å; M2476-Y2588 WeakPolarHBondContact O-CA 3.47Å; M2476-Y2588 WeakPolarHBondContact O-CD2 3.38Å; Y2478-Y2588 WeakPolarHBondContact CB-OH 3.33Å; Y2478-Y2588 VanDerWaalsContact CD2-OH 3.3Å; Y2478-Y2588 WeakPolarHBondContact CD2-OH 3.46Å; Y2588-D2597 VanDerWaalsContact CD1-O 3.23Å; Y2588-D2597 WeakPolarHBondContact CD1-O 3.33Å; Y2588-N2598 WeakPolarHBondContact O-CA 3.26Å; Y2588-F2599 PolarHBondContact N-O 2.85Å; Y2588-F2599 PolarHBondContact O-N 2.82Å |
| 2589 | K | 78.2 | Confident | 74.9 | Confident | 96 Ų | 96 | 65.2 Ų | 65.2 | 42% | 0.417 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 111.1 | 171.7 | -172.7 | -177.8 | 177.8 | -176.3 | 0 | 109.7 | P2410 F2411 M2476 T2477 Y2478 N2598 | P2410-K2589 HydrophobicContact CG-CD 4.13Å; F2411-K2589 HydrophobicContact CE2-CB 4.23Å; M2476-K2589 PolarHBondContact O-N 3.07Å; T2477-K2589 CarbonylContact C-O 3.53Å; T2477-K2589 HydrophobicContact CG2-CB 4.26Å; Y2478-K2589 PolarHBondContact N-O 2.82Å; K2589-N2598 VanDerWaalsContact CA-OD1 3.24Å; K2589-N2598 WeakPolarHBondContact CA-OD1 3.48Å |
| 2590 | G | 73.1 | Confident | 74.2 | Confident | 10 Ų | 10 | 73 Ų | 73 | 10% | 0.103 | 38% | 0.379 | C | S | . | . | trans | -71.5 | 175.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S2592 N2598 | G2590-S2592 VanDerWaalsContact C-N 3.33Å; G2590-N2598 PolarHBondContact N-OD1 2.81Å | ||
| 2591 | A | 70.2 | Confident | 73.6 | Confident | 79 Ų | 79 | 76.3 Ų | 76.3 | 65% | 0.653 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -69.2 | -32.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y2478 | Y2478-A2591 HydrophobicContact CD1-CB 3.69Å; Y2478-A2591 HydrophobicContact CE1-CB 4.08Å; Y2478-A2591 HydrophobicContact CG-CB 4.22Å |
| 2592 | S | 67.6 | Low | 73.2 | Confident | 51 Ų | 51 | 72.6 Ų | 72.6 | 36% | 0.357 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -92.7 | 147.5 | -179.8 | 90.5 | 0 | 0 | 0 | 0 | 111.2 | G2590 G2594 D2597 N2598 | G2590-S2592 VanDerWaalsContact C-N 3.33Å; S2592-G2594 PolarHBondContact O-N 2.87Å; S2592-G2594 VanDerWaalsContact O-N 3.13Å; S2592-G2594 PolarHBondContact OG-N 3.28Å; S2592-D2597 PolarHBondContact OG-OD2 2.86Å; S2592-N2598 PolarHBondContact O-ND2 2.81Å |
| 2593 | N | 59.3 | Low | 72.9 | Confident | 154 Ų | 154 | 79.7 Ų | 79.7 | 82% | 0.824 | 41% | 0.412 | S | S | * | . | trans | -72.5 | 5 | 172.3 | -73.6 | -13.1 | 0 | 0 | 0 | 112.9 | Y2595 | N2593-Y2595 PolarHBondContact O-N 2.85Š| ||
| 2594 | G | 56.7 | Low | 72.7 | Confident | 33 Ų | 33 | 78 Ų | 78 | 34% | 0.34 | 40% | 0.4 | S | S | . | . | trans | -62.4 | 133.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | S2592 I2596 D2597 N2598 | S2592-G2594 PolarHBondContact O-N 2.87Å; S2592-G2594 VanDerWaalsContact O-N 3.13Å; S2592-G2594 PolarHBondContact OG-N 3.28Å; G2594-I2596 PolarHBondContact O-N 2.79Å; G2594-I2596 VanDerWaalsContact O-N 3.16Å; G2594-D2597 PolarHBondContact O-N 2.84Å; G2594-D2597 VanDerWaalsContact O-N 3.12Å; G2594-N2598 PolarHBondContact O-N 2.8Å; G2594-N2598 PolarHBondContact O-ND2 2.77Å; G2594-N2598 VanDerWaalsContact O-ND2 3.14Å | ||
| 2595 | Y | 57.1 | Low | 72.6 | Confident | 206 Ų | 206 | 78.2 Ų | 78.2 | 81% | 0.808 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -25.3 | 179 | -151.3 | -88.4 | 0 | 0 | 0 | 112.8 | N2593 D2597 N2598 | N2593-Y2595 PolarHBondContact O-N 2.85Å; Y2595-D2597 VanDerWaalsContact C-N 3.32Å; Y2595-D2597 PolarHBondContact O-N 2.82Å; Y2595-N2598 PolarHBondContact O-N 2.78Å; Y2595-N2598 VanDerWaalsContact O-O 3.08Å |
| 2596 | I | 59.3 | Low | 72.6 | Confident | 131 Ų | 131 | 79.3 Ų | 79.3 | 67% | 0.672 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -24.5 | 179.9 | -59.3 | 166 | 0 | 0 | 0 | 112.1 | G2594 F2599 | G2594-I2596 PolarHBondContact O-N 2.79Å; G2594-I2596 VanDerWaalsContact O-N 3.16Å; I2596-F2599 WeakPolarHBondContact O-CE2 3.12Å; I2596-F2599 WeakPolarHBondContact O-CZ 3.35Å |
| 2597 | D | 62 | Low | 72.9 | Confident | 73 Ų | 73 | 78.2 Ų | 78.2 | 39% | 0.39 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -15.6 | 178.3 | -69.8 | -12.9 | 0 | 0 | 0 | 112 | Y2588 S2592 G2594 Y2595 | Y2588-D2597 VanDerWaalsContact CD1-O 3.23Å; Y2588-D2597 WeakPolarHBondContact CD1-O 3.33Å; S2592-D2597 PolarHBondContact OG-OD2 2.86Å; G2594-D2597 PolarHBondContact O-N 2.84Å; G2594-D2597 VanDerWaalsContact O-N 3.12Å; Y2595-D2597 VanDerWaalsContact C-N 3.32Å; Y2595-D2597 PolarHBondContact O-N 2.82Å |
| 2598 | N | 66.1 | Low | 73.1 | Confident | 40 Ų | 40 | 81.4 Ų | 81.4 | 21% | 0.214 | 42% | 0.416 | C | S | . | . | trans | -115 | 109.5 | -171.6 | -64.4 | -45.2 | 0 | 0 | 0 | 110.6 | Y2588 K2589 G2590 S2592 G2594 Y2595 | Y2588-N2598 WeakPolarHBondContact O-CA 3.26Å; K2589-N2598 VanDerWaalsContact CA-OD1 3.24Å; K2589-N2598 WeakPolarHBondContact CA-OD1 3.48Å; G2590-N2598 PolarHBondContact N-OD1 2.81Å; S2592-N2598 PolarHBondContact O-ND2 2.81Å; G2594-N2598 PolarHBondContact O-N 2.8Å; G2594-N2598 PolarHBondContact O-ND2 2.77Å; G2594-N2598 VanDerWaalsContact O-ND2 3.14Å; Y2595-N2598 PolarHBondContact O-N 2.78Å; Y2595-N2598 VanDerWaalsContact O-O 3.08Å | ||
| 2599 | F | 70.8 | Confident | 73.3 | Confident | 90 Ų | 90 | 77.7 Ų | 77.7 | 40% | 0.395 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 138.1 | 174.8 | -57.2 | -78.8 | 0 | 0 | 0 | 110 | T2587 Y2588 I2596 F2602 | T2587-F2599 CarbonylContact C-O 2.98Å; T2587-F2599 WeakPolarHBondContact CA-O 3.37Å; Y2588-F2599 PolarHBondContact N-O 2.85Å; Y2588-F2599 PolarHBondContact O-N 2.82Å; I2596-F2599 WeakPolarHBondContact O-CE2 3.12Å; I2596-F2599 WeakPolarHBondContact O-CZ 3.35Å; F2599-F2602 HydrophobicContact CB-CB 4.29Å |
| 2600 | K | 75 | Confident | 73.8 | Confident | 174 Ų | 174 | 76.9 Ų | 76.9 | 76% | 0.757 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 137.2 | 174.3 | -69.6 | -171.7 | 176.6 | -172.9 | 0 | 109.1 | F2602 | K2600-F2602 VanDerWaalsContact C-N 3.26Å; K2600-F2602 PolarHBondContact O-N 2.88Å |
| 2601 | N | 74.8 | Confident | 74.6 | Confident | 109 Ų | 109 | 78.1 Ų | 78.1 | 58% | 0.583 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 45.1 | 47.7 | 179.1 | -60.9 | -11.9 | 0 | 0 | 0 | 113.2 | V2585 T2587 E2603 | V2585-N2601 HydrophobicContact CG1-CB 4.27Å; T2587-N2601 WeakPolarHBondContact CG2-OD1 3.43Å; N2601-E2603 PolarHBondContact O-N 3.28Å |
| 2602 | F | 77.2 | Confident | 75.4 | Confident | 39 Ų | 39 | 79 Ų | 79 | 17% | 0.171 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 109.2 | 177.3 | -164.9 | -114.1 | 0 | 0 | 0 | 108.9 | V2586 F2599 K2600 L2604 V2637 V2640 | V2586-F2602 PolarHBondContact N-O 2.93Å; V2586-F2602 PolarHBondContact O-N 2.78Å; F2599-F2602 HydrophobicContact CB-CB 4.29Å; K2600-F2602 VanDerWaalsContact C-N 3.26Å; K2600-F2602 PolarHBondContact O-N 2.88Å; F2602-L2604 HydrophobicContact CD1-CD1 3.91Å; F2602-L2604 HydrophobicContact CD1-CD2 3.6Å; F2602-L2604 HydrophobicContact CD1-CG 3.48Å; F2602-L2604 VanDerWaalsContact CD1-CG 3.48Å; F2602-L2604 HydrophobicContact CE1-CD1 4.33Å; F2602-L2604 HydrophobicContact CE1-CD2 3.24Å; F2602-L2604 HydrophobicContact CE1-CG 3.73Å; F2602-L2604 HydrophobicContact CZ-CD2 4.33Å; F2602-L2604 PolarHBondContact O-N 3.26Å; F2602-V2637 HydrophobicContact CE1-CG2 3.49Å; F2602-V2637 VanDerWaalsContact CE1-CG2 3.49Å; F2602-V2637 HydrophobicContact CZ-CB 4.41Å; F2602-V2637 HydrophobicContact CZ-CG2 3.77Å; F2602-V2640 HydrophobicContact CE2-CB 4.22Å; F2602-V2640 HydrophobicContact CE2-CG1 4.05Å; F2602-V2640 HydrophobicContact CE2-CG2 4.26Å; F2602-V2640 HydrophobicContact CZ-CB 4.4Å; F2602-V2640 HydrophobicContact CZ-CG2 4.31Å |
| 2603 | E | 80 | Confident | 76.2 | Confident | 153 Ų | 153 | 81.4 Ų | 81.4 | 72% | 0.715 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 109.3 | 177.3 | -64.3 | -178.1 | 174.6 | 0 | 0 | 109.5 | V2585 N2601 | V2585-E2603 HydrophobicContact CG2-CG 4.35Å; N2601-E2603 PolarHBondContact O-N 3.28Å |
| 2604 | L | 80.9 | Confident | 77.4 | Confident | 26 Ų | 26 | 77.3 Ų | 77.3 | 14% | 0.136 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 124.9 | 177.1 | -78.2 | 173.2 | 0 | 0 | 0 | 109.2 | I2584 V2586 F2602 F2606 L2633 | I2584-L2604 PolarHBondContact N-O 3.4Å; I2584-L2604 PolarHBondContact O-N 3.41Å; I2584-L2604 VanDerWaalsContact O-O 3.09Å; V2586-L2604 HydrophobicContact CB-CD1 4.28Å; V2586-L2604 HydrophobicContact CG2-CD1 3.88Å; F2602-L2604 HydrophobicContact CD1-CD1 3.91Å; F2602-L2604 HydrophobicContact CD1-CD2 3.6Å; F2602-L2604 HydrophobicContact CD1-CG 3.48Å; F2602-L2604 VanDerWaalsContact CD1-CG 3.48Å; F2602-L2604 HydrophobicContact CE1-CD1 4.33Å; F2602-L2604 HydrophobicContact CE1-CD2 3.24Å; F2602-L2604 HydrophobicContact CE1-CG 3.73Å; F2602-L2604 HydrophobicContact CZ-CD2 4.33Å; F2602-L2604 PolarHBondContact O-N 3.26Å; L2604-F2606 PolarHBondContact O-N 3.47Å; L2604-L2633 HydrophobicContact CB-CD2 3.83Å; L2604-L2633 HydrophobicContact CD1-CD2 4.03Å; L2604-L2633 HydrophobicContact CD2-CD2 3.53Å; L2604-L2633 HydrophobicContact CG-CD2 3.99Å |
| 2605 | T | 83.7 | Confident | 78.8 | Confident | 45 Ų | 45 | 79.2 Ų | 79.2 | 28% | 0.276 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 106.7 | 172.7 | -41.3 | 0 | 0 | 0 | 0 | 108.4 | E2581 Q2636 | E2581-T2605 HydrophobicContact CG-CG2 3.6Å; E2581-T2605 WeakPolarHBondContact OE1-CG2 3.37Å; T2605-Q2636 PolarHBondContact O-NE2 2.85Å; T2605-Q2636 PolarHBondContact O-OE1 3.21Å |
| 2606 | F | 85.2 | Confident | 80.2 | Confident | 40 Ų | 40 | 72.4 Ų | 72.4 | 18% | 0.175 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 120.3 | 170.9 | -173.2 | -87.4 | 0 | 0 | 0 | 108.1 | V2579 E2581 V2582 I2584 L2604 I2609 I2625 | V2579-F2606 HydrophobicContact CG1-CE1 3.74Å; V2579-F2606 HydrophobicContact CG1-CZ 4.45Å; E2581-F2606 CarbonylContact C-O 3.55Å; E2581-F2606 VanDerWaalsContact CA-O 3.24Å; E2581-F2606 WeakPolarHBondContact CA-O 3.43Å; E2581-F2606 WeakPolarHBondContact CG-O 3.24Å; V2582-F2606 HydrophobicContact CB-CB 4.27Å; V2582-F2606 PolarHBondContact N-O 3.42Å; V2582-F2606 WeakPolarHBondContact O-CA 2.82Å; V2582-F2606 VanDerWaalsContact O-CB 3.25Å; V2582-F2606 WeakPolarHBondContact O-CB 3.04Å; V2582-F2606 PolarHBondContact O-N 2.82Å; I2584-F2606 HydrophobicContact CD1-CB 4.02Å; L2604-F2606 PolarHBondContact O-N 3.47Å; F2606-I2609 HydrophobicContact CE1-CD1 3.83Å; F2606-I2609 HydrophobicContact CE1-CG1 4.38Å; F2606-I2609 HydrophobicContact CZ-CD1 3.72Å; F2606-I2625 HydrophobicContact CZ-CG2 4.35Å |
| 2607 | P | 87.3 | Confident | 81.5 | Confident | 15 Ų | 15 | 67.8 Ų | 67.8 | 10% | 0.097 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 153.3 | -171.3 | 29 | -36.7 | 0 | 0 | 0 | 112.8 | I2609 V2632 | P2607-I2609 HydrophobicContact CG-CG1 4.43Å; P2607-I2609 PolarHBondContact O-N 2.98Å; P2607-V2632 HydrophobicContact CB-CB 4.2Å; P2607-V2632 HydrophobicContact CB-CG1 4.05Å; P2607-V2632 HydrophobicContact CB-CG2 4Å; P2607-V2632 HydrophobicContact CG-CB 3.85Å; P2607-V2632 HydrophobicContact CG-CG1 4.14Å; P2607-V2632 HydrophobicContact CG-CG2 3.85Å |
| 2608 | L | 87.8 | Confident | 82.6 | Confident | 68 Ų | 68 | 70.7 Ų | 70.7 | 36% | 0.356 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 120.2 | 163 | -178.3 | 69.3 | 0 | 0 | 0 | 109.9 | R2578 V2579 E2581 E2610 | R2578-L2608 HydrophobicContact CG-CD1 4.3Å; V2579-L2608 WeakPolarHBondContact O-CA 3.17Å; V2579-L2608 WeakPolarHBondContact O-CD1 3.42Å; E2581-L2608 HydrophobicContact CB-CB 4.12Å; L2608-E2610 HydrophobicContact CD1-CG 4.46Å; L2608-E2610 HydrophobicContact CG-CG 4.21Å |
| 2609 | I | 88.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 110.2 | 177.2 | -60.4 | 172.4 | 0 | 0 | 0 | 109.1 | R2578 V2579 F2606 P2607 Y2611 I2625 K2628 | R2578-I2609 CarbonylContact C-O 3.6Å; R2578-I2609 WeakPolarHBondContact CA-O 3.31Å; V2579-I2609 HydrophobicContact CB-CB 4.09Å; V2579-I2609 HydrophobicContact CG2-CB 4.32Å; V2579-I2609 PolarHBondContact N-O 3.45Å; V2579-I2609 PolarHBondContact O-N 2.84Å; F2606-I2609 HydrophobicContact CE1-CD1 3.83Å; F2606-I2609 HydrophobicContact CE1-CG1 4.38Å; F2606-I2609 HydrophobicContact CZ-CD1 3.72Å; P2607-I2609 HydrophobicContact CG-CG1 4.43Å; P2607-I2609 PolarHBondContact O-N 2.98Å; I2609-Y2611 HydrophobicContact CG2-CD2 3.71Å; I2609-Y2611 HydrophobicContact CG2-CE2 3.3Å; I2609-I2625 HydrophobicContact CD1-CB 4.34Å; I2609-I2625 HydrophobicContact CD1-CG1 4.44Å; I2609-I2625 HydrophobicContact CD1-CG2 3.81Å; I2609-I2625 HydrophobicContact CG2-CG1 4.41Å; I2609-K2628 HydrophobicContact CB-CD 4.47Å; I2609-K2628 HydrophobicContact CG1-CD 4.05Å; I2609-K2628 HydrophobicContact CG1-CG 4.42Å; I2609-K2628 HydrophobicContact CG2-CD 4.02Å |
| 2610 | E | 88.7 | Confident | 84.3 | Confident | 79 Ų | 79 | 72.9 Ų | 72.9 | 37% | 0.369 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 131.5 | 170.7 | -68.1 | 172 | 173.1 | 0 | 0 | 110.3 | V2577 R2578 L2608 K2628 | V2577-E2610 VanDerWaalsContact O-CA 3.27Å; V2577-E2610 WeakPolarHBondContact O-CA 3.37Å; R2578-E2610 HydrophobicContact CG-CG 4.22Å; R2578-E2610 IonicContact NE-OE1 2.9Å; L2608-E2610 HydrophobicContact CD1-CG 4.46Å; L2608-E2610 HydrophobicContact CG-CG 4.21Å; E2610-K2628 PolarHBondContact O-NZ 3.47Å |
| 2611 | Y | 89.1 | Confident | 84.9 | Confident | 35 Ų | 35 | 64.9 Ų | 64.9 | 14% | 0.137 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 134.5 | 169.1 | -66 | -64.2 | 0 | 0 | 0 | 109.2 | V2577 I2609 W2616 L2621 G2624 I2625 | V2577-Y2611 PolarHBondContact N-O 2.75Å; V2577-Y2611 PolarHBondContact O-N 3.01Å; I2609-Y2611 HydrophobicContact CG2-CD2 3.71Å; I2609-Y2611 HydrophobicContact CG2-CE2 3.3Å; Y2611-W2616 AromaticContact CD1-CH2 3.57Å; Y2611-W2616 HydrophobicContact CD1-CH2 3.57Å; Y2611-W2616 AromaticContact CD1-CZ3 3.8Å; Y2611-W2616 HydrophobicContact CD1-CZ3 3.8Å; Y2611-W2616 HydrophobicContact CD2-CH2 4.38Å; Y2611-W2616 AromaticContact CD2-CZ3 3.79Å; Y2611-W2616 HydrophobicContact CD2-CZ3 3.79Å; Y2611-W2616 AromaticContact CE1-CH2 3.61Å; Y2611-W2616 HydrophobicContact CE1-CH2 3.61Å; Y2611-W2616 AromaticContact CE1-CZ3 3.99Å; Y2611-W2616 HydrophobicContact CE1-CZ3 3.99Å; Y2611-W2616 HydrophobicContact CE2-CH2 4.39Å; Y2611-W2616 AromaticContact CE2-CZ3 3.95Å; Y2611-W2616 HydrophobicContact CE2-CZ3 3.95Å; Y2611-W2616 AromaticContact CG-CH2 3.99Å; Y2611-W2616 HydrophobicContact CG-CH2 3.99Å; Y2611-W2616 AromaticContact CG-CZ3 3.7Å; Y2611-W2616 HydrophobicContact CG-CZ3 3.7Å; Y2611-L2621 HydrophobicContact CD2-CD1 3.98Å; Y2611-L2621 HydrophobicContact CE2-CD1 4.32Å; Y2611-G2624 PolarHBondContact OH-O 3.19Å; Y2611-G2624 VanDerWaalsContact OH-O 3.1Å; Y2611-I2625 HydrophobicContact CE2-CG1 4.22Å |
| 2612 | H | 87 | Confident | 85.5 | Confident | 99 Ų | 99 | 62.2 Ų | 62.2 | 46% | 0.458 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 139.9 | 178.4 | -57.2 | -61.9 | 0 | 0 | 0 | 111 | M2575 N2576 Q2614 | M2575-H2612 VanDerWaalsContact O-CA 3.27Å; M2575-H2612 WeakPolarHBondContact O-CA 3.42Å; N2576-H2612 PolarHBondContact OD1-CE1 2.88Å; N2576-H2612 VanDerWaalsContact OD1-CE1 3.29Å; N2576-H2612 PolarHBondContact OD1-ND1 3.06Å; H2612-Q2614 VanDerWaalsContact C-N 3.31Å; H2612-Q2614 WeakPolarHBondContact O-CG 3.3Å; H2612-Q2614 PolarHBondContact O-N 3.13Å; H2612-Q2614 PolarHBondContact O-NE2 3.33Å |
| 2613 | N | 84.7 | Confident | 85.9 | Confident | 101 Ų | 101 | 64.4 Ų | 64.4 | 54% | 0.54 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 47.6 | 48.3 | 173.3 | -60.9 | -29 | 0 | 0 | 0 | 113.7 | F2574 M2575 | F2574-N2613 CarbonylContact O-C 3.59Å; F2574-N2613 WeakPolarHBondContact O-CA 3.32Å; F2574-N2613 PolarHBondContact O-N 2.69Å; M2575-N2613 VanDerWaalsContact CE-OD1 3.22Å; M2575-N2613 WeakPolarHBondContact CE-OD1 3.38Å; M2575-N2613 PolarHBondContact O-N 3Å; M2575-N2613 PolarHBondContact SD-OD1 3.32Å |
| 2614 | Q | 85 | Confident | 86.2 | Confident | 67 Ų | 67 | 57.9 Ų | 57.9 | 31% | 0.313 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 132.2 | 179.6 | -63.2 | -57.4 | -40.8 | 0 | 0 | 110.9 | F2574 H2612 W2616 | F2574-Q2614 PolarHBondContact N-O 2.85Å; F2574-Q2614 PolarHBondContact O-N 3.38Å; H2612-Q2614 VanDerWaalsContact C-N 3.31Å; H2612-Q2614 WeakPolarHBondContact O-CG 3.3Å; H2612-Q2614 PolarHBondContact O-N 3.13Å; H2612-Q2614 PolarHBondContact O-NE2 3.33Å; Q2614-W2616 HydrophobicContact CB-CD2 3.73Å; Q2614-W2616 HydrophobicContact CB-CE3 3.87Å; Q2614-W2616 HydrophobicContact CB-CG 4.2Å; Q2614-W2616 HydrophobicContact CB-CH2 4.3Å; Q2614-W2616 HydrophobicContact CB-CZ2 4.16Å; Q2614-W2616 HydrophobicContact CB-CZ3 4.16Å; Q2614-W2616 HydrophobicContact CG-CD2 4.29Å; Q2614-W2616 HydrophobicContact CG-CE3 4.23Å; Q2614-W2616 HydrophobicContact CG-CH2 3.8Å; Q2614-W2616 HydrophobicContact CG-CZ2 3.83Å; Q2614-W2616 HydrophobicContact CG-CZ3 4Å |
| 2615 | N | 85.2 | Confident | 86.5 | Confident | 73 Ų | 73 | 58.7 Ų | 58.7 | 39% | 0.39 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 93.2 | 175.1 | -167 | 9.5 | 0 | 0 | 0 | 110 | N2571 I2572 L2573 | N2571-N2615 VanDerWaalsContact CB-OD1 3.31Å; N2571-N2615 WeakPolarHBondContact CB-OD1 3.47Å; I2572-N2615 WeakPolarHBondContact O-CA 3.34Å; I2572-N2615 PolarHBondContact O-OD1 2.9Å; L2573-N2615 HydrophobicContact CD1-CB 4.34Å |
| 2616 | W | 87.1 | Confident | 86.6 | Confident | 64 Ų | 64 | 63.5 Ų | 63.5 | 24% | 0.242 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 162.8 | -168.5 | -75.8 | -15.3 | 0 | 0 | 0 | 112 | I2572 F2574 Y2611 Q2614 D2620 L2621 | I2572-W2616 PolarHBondContact N-O 3.15Å; I2572-W2616 PolarHBondContact O-N 3.22Å; I2572-W2616 VanDerWaalsContact O-O 3.13Å; F2574-W2616 HydrophobicContact CD2-CB 4.05Å; F2574-W2616 HydrophobicContact CE2-CB 3.93Å; F2574-W2616 WeakPolarHBondContact CE2-O 3.31Å; Y2611-W2616 AromaticContact CD1-CH2 3.57Å; Y2611-W2616 HydrophobicContact CD1-CH2 3.57Å; Y2611-W2616 AromaticContact CD1-CZ3 3.8Å; Y2611-W2616 HydrophobicContact CD1-CZ3 3.8Å; Y2611-W2616 HydrophobicContact CD2-CH2 4.38Å; Y2611-W2616 AromaticContact CD2-CZ3 3.79Å; Y2611-W2616 HydrophobicContact CD2-CZ3 3.79Å; Y2611-W2616 AromaticContact CE1-CH2 3.61Å; Y2611-W2616 HydrophobicContact CE1-CH2 3.61Å; Y2611-W2616 AromaticContact CE1-CZ3 3.99Å; Y2611-W2616 HydrophobicContact CE1-CZ3 3.99Å; Y2611-W2616 HydrophobicContact CE2-CH2 4.39Å; Y2611-W2616 AromaticContact CE2-CZ3 3.95Å; Y2611-W2616 HydrophobicContact CE2-CZ3 3.95Å; Y2611-W2616 AromaticContact CG-CH2 3.99Å; Y2611-W2616 HydrophobicContact CG-CH2 3.99Å; Y2611-W2616 AromaticContact CG-CZ3 3.7Å; Y2611-W2616 HydrophobicContact CG-CZ3 3.7Å; Q2614-W2616 HydrophobicContact CB-CD2 3.73Å; Q2614-W2616 HydrophobicContact CB-CE3 3.87Å; Q2614-W2616 HydrophobicContact CB-CG 4.2Å; Q2614-W2616 HydrophobicContact CB-CH2 4.3Å; Q2614-W2616 HydrophobicContact CB-CZ2 4.16Å; Q2614-W2616 HydrophobicContact CB-CZ3 4.16Å; Q2614-W2616 HydrophobicContact CG-CD2 4.29Å; Q2614-W2616 HydrophobicContact CG-CE3 4.23Å; Q2614-W2616 HydrophobicContact CG-CH2 3.8Å; Q2614-W2616 HydrophobicContact CG-CZ2 3.83Å; Q2614-W2616 HydrophobicContact CG-CZ3 4Å; W2616-D2620 HydrophobicContact CB-CB 4.03Å; W2616-D2620 HydrophobicContact CG-CB 4.14Å; W2616-L2621 HydrophobicContact CE3-CB 4.42Å; W2616-L2621 HydrophobicContact CE3-CD1 3.98Å; W2616-L2621 HydrophobicContact CZ3-CD1 4.1Å |
| 2617 | T | 86.2 | Confident | 86.5 | Confident | 33 Ų | 33 | 64.3 Ų | 64.3 | 20% | 0.202 | 33% | 0.334 | C | S | . | . | trans | -86 | 160.8 | 162.9 | 70.3 | 0 | 0 | 0 | 0 | 110.2 | K2570 L2619 D2620 L2621 | K2570-T2617 WeakPolarHBondContact O-CG2 3.47Å; T2617-L2619 PolarHBondContact O-N 3.11Å; T2617-L2619 VanDerWaalsContact O-N 3.17Å; T2617-L2619 PolarHBondContact OG1-N 2.9Å; T2617-D2620 WeakPolarHBondContact CB-OD2 2.79Å; T2617-D2620 WeakPolarHBondContact CG2-OD2 3.35Å; T2617-D2620 PolarHBondContact N-OD2 2.82Å; T2617-D2620 VanDerWaalsContact N-OD2 3.15Å; T2617-D2620 PolarHBondContact O-N 3.02Å; T2617-D2620 PolarHBondContact OG1-N 2.77Å; T2617-D2620 VanDerWaalsContact OG1-N 3.1Å; T2617-D2620 PolarHBondContact OG1-OD2 2.83Å; T2617-L2621 PolarHBondContact O-N 3.26Å | ||
| 2618 | W | 84.5 | Confident | 86.5 | Confident | 134 Ų | 134 | 66.8 Ų | 66.8 | 51% | 0.508 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -53.2 | -34.8 | 171.2 | -77.4 | 112.9 | 0 | 0 | 0 | 112.7 | L2462 L2465 I2572 F2574 L2621 A2622 | L2462-W2618 HydrophobicContact CD1-CH2 3.98Å; L2462-W2618 HydrophobicContact CD1-CZ2 3.79Å; L2465-W2618 HydrophobicContact CD1-CH2 4.44Å; L2465-W2618 HydrophobicContact CD2-CH2 4.04Å; L2465-W2618 HydrophobicContact CD2-CZ3 3.83Å; I2572-W2618 VanDerWaalsContact CD1-CD1 3.44Å; I2572-W2618 HydrophobicContact CD1-CD2 4.45Å; I2572-W2618 HydrophobicContact CD1-CG 4.23Å; F2574-W2618 HydrophobicContact CE1-CE3 4.41Å; F2574-W2618 HydrophobicContact CE1-CH2 4.21Å; F2574-W2618 HydrophobicContact CE1-CZ3 4.14Å; F2574-W2618 HydrophobicContact CZ-CD2 4.34Å; F2574-W2618 HydrophobicContact CZ-CE3 4.26Å; F2574-W2618 HydrophobicContact CZ-CZ3 4.45Å; W2618-L2621 HydrophobicContact CE3-CD2 4.06Å; W2618-L2621 HydrophobicContact CZ3-CD2 4.02Å; W2618-A2622 WeakPolarHBondContact O-CB 3.11Å; W2618-A2622 PolarHBondContact O-N 2.85Å |
| 2619 | L | 85.2 | Confident | 86.3 | Confident | 101 Ų | 101 | 64.3 Ų | 64.3 | 53% | 0.529 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.6 | -43.6 | 175.9 | 179.4 | 63.5 | 0 | 0 | 0 | 111.9 | T2617 L2621 A2622 V2623 | T2617-L2619 PolarHBondContact O-N 3.11Å; T2617-L2619 VanDerWaalsContact O-N 3.17Å; T2617-L2619 PolarHBondContact OG1-N 2.9Å; L2619-L2621 VanDerWaalsContact C-N 3.31Å; L2619-A2622 PolarHBondContact O-N 2.78Å; L2619-V2623 HydrophobicContact CD1-CG2 4.27Å; L2619-V2623 WeakPolarHBondContact O-CB 3.38Å; L2619-V2623 VanDerWaalsContact O-CG2 3.31Å; L2619-V2623 WeakPolarHBondContact O-CG2 3.24Å; L2619-V2623 PolarHBondContact O-N 2.85Å |
| 2620 | D | 88.6 | Confident | 86 | Confident | 76 Ų | 76 | 68.9 Ų | 68.9 | 41% | 0.406 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.9 | -39.1 | 177.7 | -59.6 | -42.5 | 0 | 0 | 0 | 110.9 | W2616 T2617 V2623 G2624 | W2616-D2620 HydrophobicContact CB-CB 4.03Å; W2616-D2620 HydrophobicContact CG-CB 4.14Å; T2617-D2620 WeakPolarHBondContact CB-OD2 2.79Å; T2617-D2620 WeakPolarHBondContact CG2-OD2 3.35Å; T2617-D2620 PolarHBondContact N-OD2 2.82Å; T2617-D2620 VanDerWaalsContact N-OD2 3.15Å; T2617-D2620 PolarHBondContact O-N 3.02Å; T2617-D2620 PolarHBondContact OG1-N 2.77Å; T2617-D2620 VanDerWaalsContact OG1-N 3.1Å; T2617-D2620 PolarHBondContact OG1-OD2 2.83Å; D2620-V2623 PolarHBondContact O-N 3.39Å; D2620-G2624 PolarHBondContact O-N 2.83Å |
| 2621 | L | 87.9 | Confident | 85.6 | Confident | 5 Ų | 5 | 72.7 Ų | 72.7 | 3% | 0.026 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.3 | -48.4 | 172.4 | -179.8 | 65.6 | 0 | 0 | 0 | 111 | L2465 F2574 V2577 Y2611 W2616 T2617 W2618 L2619 V2623 G2624 I2625 | L2465-L2621 HydrophobicContact CD2-CD2 3.82Å; F2574-L2621 HydrophobicContact CD1-CD2 4.27Å; F2574-L2621 HydrophobicContact CE1-CD2 3.65Å; F2574-L2621 HydrophobicContact CE2-CB 4.48Å; F2574-L2621 HydrophobicContact CZ-CB 4.36Å; F2574-L2621 HydrophobicContact CZ-CD2 3.8Å; V2577-L2621 HydrophobicContact CG1-CD1 4.27Å; V2577-L2621 HydrophobicContact CG2-CD1 4.37Å; Y2611-L2621 HydrophobicContact CD2-CD1 3.98Å; Y2611-L2621 HydrophobicContact CE2-CD1 4.32Å; W2616-L2621 HydrophobicContact CE3-CB 4.42Å; W2616-L2621 HydrophobicContact CE3-CD1 3.98Å; W2616-L2621 HydrophobicContact CZ3-CD1 4.1Å; T2617-L2621 PolarHBondContact O-N 3.26Å; W2618-L2621 HydrophobicContact CE3-CD2 4.06Å; W2618-L2621 HydrophobicContact CZ3-CD2 4.02Å; L2619-L2621 VanDerWaalsContact C-N 3.31Å; L2621-V2623 PolarHBondContact O-N 2.98Å; L2621-G2624 PolarHBondContact O-N 2.86Å; L2621-I2625 HydrophobicContact CD1-CD1 4.1Å; L2621-I2625 HydrophobicContact CD1-CG1 4.32Å; L2621-I2625 HydrophobicContact CG-CD1 3.91Å; L2621-I2625 HydrophobicContact CG-CG1 4.5Å; L2621-I2625 WeakPolarHBondContact O-CB 3.46Å; L2621-I2625 VanDerWaalsContact O-CG1 3.32Å; L2621-I2625 WeakPolarHBondContact O-CG1 3.5Å; L2621-I2625 PolarHBondContact O-N 3.28Å |
| 2622 | A | 86 | Confident | 85.2 | Confident | 54 Ų | 54 | 73 Ų | 73 | 45% | 0.446 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62 | -42.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | W2618 L2619 K2626 | W2618-A2622 WeakPolarHBondContact O-CB 3.11Å; W2618-A2622 PolarHBondContact O-N 2.85Å; L2619-A2622 PolarHBondContact O-N 2.78Å; A2622-K2626 VanDerWaalsContact O-CB 3.31Å; A2622-K2626 WeakPolarHBondContact O-CB 3.34Å; A2622-K2626 PolarHBondContact O-N 2.81Å |
| 2623 | V | 86.5 | Confident | 84.7 | Confident | 85 Ų | 85 | 70.3 Ų | 70.3 | 52% | 0.515 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.2 | -39.6 | 175.2 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | L2619 D2620 L2621 K2626 A2627 | L2619-V2623 HydrophobicContact CD1-CG2 4.27Å; L2619-V2623 WeakPolarHBondContact O-CB 3.38Å; L2619-V2623 VanDerWaalsContact O-CG2 3.31Å; L2619-V2623 WeakPolarHBondContact O-CG2 3.24Å; L2619-V2623 PolarHBondContact O-N 2.85Å; D2620-V2623 PolarHBondContact O-N 3.39Å; L2621-V2623 PolarHBondContact O-N 2.98Å; V2623-K2626 PolarHBondContact O-N 2.92Å; V2623-A2627 WeakPolarHBondContact O-CB 3.43Å; V2623-A2627 PolarHBondContact O-N 2.74Å |
| 2624 | G | 85.9 | Confident | 84.3 | Confident | 16 Ų | 16 | 68.1 Ų | 68.1 | 17% | 0.165 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.4 | -47.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y2611 D2620 L2621 A2627 K2628 | Y2611-G2624 PolarHBondContact OH-O 3.19Å; Y2611-G2624 VanDerWaalsContact OH-O 3.1Å; D2620-G2624 PolarHBondContact O-N 2.83Å; L2621-G2624 PolarHBondContact O-N 2.86Å; G2624-A2627 PolarHBondContact O-N 3.47Å; G2624-K2628 WeakPolarHBondContact O-CB 3.18Å; G2624-K2628 PolarHBondContact O-N 3.34Å |
| 2625 | I | 86.6 | Confident | 83.9 | Confident | 42 Ų | 42 | 71.1 Ų | 71.1 | 22% | 0.215 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.8 | -50.3 | 174.1 | -71.5 | 169.3 | 0 | 0 | 0 | 109.9 | V2579 F2606 I2609 Y2611 L2621 A2627 K2628 S2629 | V2579-I2625 HydrophobicContact CG2-CD1 4.35Å; F2606-I2625 HydrophobicContact CZ-CG2 4.35Å; I2609-I2625 HydrophobicContact CD1-CB 4.34Å; I2609-I2625 HydrophobicContact CD1-CG1 4.44Å; I2609-I2625 HydrophobicContact CD1-CG2 3.81Å; I2609-I2625 HydrophobicContact CG2-CG1 4.41Å; Y2611-I2625 HydrophobicContact CE2-CG1 4.22Å; L2621-I2625 HydrophobicContact CD1-CD1 4.1Å; L2621-I2625 HydrophobicContact CD1-CG1 4.32Å; L2621-I2625 HydrophobicContact CG-CD1 3.91Å; L2621-I2625 HydrophobicContact CG-CG1 4.5Å; L2621-I2625 WeakPolarHBondContact O-CB 3.46Å; L2621-I2625 VanDerWaalsContact O-CG1 3.32Å; L2621-I2625 WeakPolarHBondContact O-CG1 3.5Å; L2621-I2625 PolarHBondContact O-N 3.28Å; I2625-A2627 VanDerWaalsContact C-N 3.35Å; I2625-A2627 PolarHBondContact O-N 3.05Å; I2625-K2628 PolarHBondContact O-N 2.9Å; I2625-S2629 WeakPolarHBondContact O-CB 3.35Å; I2625-S2629 PolarHBondContact O-N 3.28Å; I2625-S2629 PolarHBondContact O-OG 3.46Å; I2625-S2629 VanDerWaalsContact O-OG 3.08Å |
| 2626 | K | 85.4 | Confident | 83.2 | Confident | 147 Ų | 147 | 69.8 Ų | 69.8 | 64% | 0.639 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -58.2 | -43 | 177.9 | -179.4 | -178.8 | 177.7 | 177.3 | 0 | 112.7 | A2622 V2623 S2629 L2630 | A2622-K2626 VanDerWaalsContact O-CB 3.31Å; A2622-K2626 WeakPolarHBondContact O-CB 3.34Å; A2622-K2626 PolarHBondContact O-N 2.81Å; V2623-K2626 PolarHBondContact O-N 2.92Å; K2626-S2629 WeakPolarHBondContact CA-OG 3.45Å; K2626-S2629 PolarHBondContact O-OG 2.72Å; K2626-S2629 VanDerWaalsContact O-OG 3.08Å; K2626-L2630 WeakPolarHBondContact O-CB 3.41Å; K2626-L2630 PolarHBondContact O-N 2.95Å |
| 2627 | A | 84.8 | Confident | 82.2 | Confident | 56 Ų | 56 | 69.3 Ų | 69.3 | 46% | 0.463 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -69.1 | -39.4 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | V2623 G2624 I2625 R2631 | V2623-A2627 WeakPolarHBondContact O-CB 3.43Å; V2623-A2627 PolarHBondContact O-N 2.74Å; G2624-A2627 PolarHBondContact O-N 3.47Å; I2625-A2627 VanDerWaalsContact C-N 3.35Å; I2625-A2627 PolarHBondContact O-N 3.05Å; A2627-R2631 WeakPolarHBondContact O-CB 3.46Å; A2627-R2631 PolarHBondContact O-N 3.3Å; A2627-R2631 VanDerWaalsContact O-N 3.12Å |
| 2628 | K | 85.5 | Confident | 81.2 | Confident | 68 Ų | 68 | 70.2 Ų | 70.2 | 30% | 0.296 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.9 | -46 | 177.9 | -169 | 171.4 | 174.2 | -176.9 | 0 | 111.2 | I2609 E2610 G2624 I2625 R2631 V2632 | I2609-K2628 HydrophobicContact CB-CD 4.47Å; I2609-K2628 HydrophobicContact CG1-CD 4.05Å; I2609-K2628 HydrophobicContact CG1-CG 4.42Å; I2609-K2628 HydrophobicContact CG2-CD 4.02Å; E2610-K2628 PolarHBondContact O-NZ 3.47Å; G2624-K2628 WeakPolarHBondContact O-CB 3.18Å; G2624-K2628 PolarHBondContact O-N 3.34Å; I2625-K2628 PolarHBondContact O-N 2.9Å; K2628-R2631 PolarHBondContact O-N 3.29Å; K2628-V2632 PolarHBondContact O-N 2.88Å |
| 2629 | S | 84.5 | Confident | 79.9 | Confident | 16 Ų | 16 | 69 Ų | 69 | 11% | 0.112 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.4 | -49.7 | 176.3 | 64 | 0 | 0 | 0 | 0 | 111.2 | I2625 K2626 R2631 V2632 L2633 | I2625-S2629 WeakPolarHBondContact O-CB 3.35Å; I2625-S2629 PolarHBondContact O-N 3.28Å; I2625-S2629 PolarHBondContact O-OG 3.46Å; I2625-S2629 VanDerWaalsContact O-OG 3.08Å; K2626-S2629 WeakPolarHBondContact CA-OG 3.45Å; K2626-S2629 PolarHBondContact O-OG 2.72Å; K2626-S2629 VanDerWaalsContact O-OG 3.08Å; S2629-R2631 VanDerWaalsContact C-N 3.29Å; S2629-R2631 PolarHBondContact O-N 2.74Å; S2629-V2632 PolarHBondContact O-N 3.27Å; S2629-V2632 VanDerWaalsContact O-N 3.14Å; S2629-L2633 WeakPolarHBondContact O-CB 3.48Å; S2629-L2633 WeakPolarHBondContact O-CG 3.18Å; S2629-L2633 PolarHBondContact O-N 3Å |
| 2630 | L | 81.4 | Confident | 78.3 | Confident | 95 Ų | 95 | 66.9 Ų | 66.9 | 50% | 0.497 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -56.5 | -41.7 | 177.5 | -173.1 | 77.2 | 0 | 0 | 0 | 112.4 | K2626 L2634 | K2626-L2630 WeakPolarHBondContact O-CB 3.41Å; K2626-L2630 PolarHBondContact O-N 2.95Å; L2630-L2634 HydrophobicContact CD2-CD1 4.38Å; L2630-L2634 HydrophobicContact CG-CD1 3.97Å; L2630-L2634 HydrophobicContact CG-CG 4.45Å; L2630-L2634 VanDerWaalsContact O-CB 3.28Å; L2630-L2634 WeakPolarHBondContact O-CB 3.45Å; L2630-L2634 VanDerWaalsContact O-CG 3.26Å; L2630-L2634 WeakPolarHBondContact O-CG 3.35Å; L2630-L2634 PolarHBondContact O-N 3.32Å |
| 2631 | R | 81.1 | Confident | 76.6 | Confident | 160 Ų | 160 | 64.6 Ų | 64.6 | 60% | 0.604 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -64.2 | -40.6 | 179.6 | -176.2 | -175.9 | -73.9 | 170.6 | -3.1 | 112 | A2627 K2628 S2629 K2635 | A2627-R2631 WeakPolarHBondContact O-CB 3.46Å; A2627-R2631 PolarHBondContact O-N 3.3Å; A2627-R2631 VanDerWaalsContact O-N 3.12Å; K2628-R2631 PolarHBondContact O-N 3.29Å; S2629-R2631 VanDerWaalsContact C-N 3.29Å; S2629-R2631 PolarHBondContact O-N 2.74Å; R2631-K2635 WeakPolarHBondContact O-CG 3.42Å; R2631-K2635 PolarHBondContact O-N 2.96Å |
| 2632 | V | 80.3 | Confident | 74.8 | Confident | 41 Ų | 41 | 66.4 Ų | 66.4 | 25% | 0.248 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -73.3 | -44.5 | 178.8 | 177.7 | 0 | 0 | 0 | 0 | 110.9 | P2607 K2628 S2629 L2634 K2635 Q2636 | P2607-V2632 HydrophobicContact CB-CB 4.2Å; P2607-V2632 HydrophobicContact CB-CG1 4.05Å; P2607-V2632 HydrophobicContact CB-CG2 4Å; P2607-V2632 HydrophobicContact CG-CB 3.85Å; P2607-V2632 HydrophobicContact CG-CG1 4.14Å; P2607-V2632 HydrophobicContact CG-CG2 3.85Å; K2628-V2632 PolarHBondContact O-N 2.88Å; S2629-V2632 PolarHBondContact O-N 3.27Å; S2629-V2632 VanDerWaalsContact O-N 3.14Å; V2632-L2634 VanDerWaalsContact C-N 3.3Å; V2632-L2634 PolarHBondContact O-N 2.86Å; V2632-K2635 WeakPolarHBondContact O-CA 3.05Å; V2632-K2635 WeakPolarHBondContact O-CB 3.13Å; V2632-K2635 PolarHBondContact O-N 2.98Å; V2632-Q2636 PolarHBondContact O-N 3.06Å |
| 2633 | L | 76.4 | Confident | 72.9 | Confident | 43 Ų | 43 | 69.2 Ų | 69.2 | 23% | 0.225 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.3 | -43.3 | 175.8 | -65.2 | 171.6 | 0 | 0 | 0 | 111 | L2604 S2629 K2635 Q2636 V2637 | L2604-L2633 HydrophobicContact CB-CD2 3.83Å; L2604-L2633 HydrophobicContact CD1-CD2 4.03Å; L2604-L2633 HydrophobicContact CD2-CD2 3.53Å; L2604-L2633 HydrophobicContact CG-CD2 3.99Å; S2629-L2633 WeakPolarHBondContact O-CB 3.48Å; S2629-L2633 WeakPolarHBondContact O-CG 3.18Å; S2629-L2633 PolarHBondContact O-N 3Å; L2633-K2635 VanDerWaalsContact C-N 3.32Å; L2633-K2635 PolarHBondContact O-N 3.44Å; L2633-Q2636 PolarHBondContact O-N 2.92Å; L2633-V2637 VanDerWaalsContact O-CG2 3.27Å; L2633-V2637 WeakPolarHBondContact O-CG2 3.35Å; L2633-V2637 PolarHBondContact O-N 3.38Å |
| 2634 | L | 75.7 | Confident | 71 | Confident | 54 Ų | 54 | 73.1 Ų | 73.1 | 28% | 0.283 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.9 | -36.9 | 174.3 | -79.7 | 168.4 | 0 | 0 | 0 | 112.8 | L2630 V2632 L2638 | L2630-L2634 HydrophobicContact CD2-CD1 4.38Å; L2630-L2634 HydrophobicContact CG-CD1 3.97Å; L2630-L2634 HydrophobicContact CG-CG 4.45Å; L2630-L2634 VanDerWaalsContact O-CB 3.28Å; L2630-L2634 WeakPolarHBondContact O-CB 3.45Å; L2630-L2634 VanDerWaalsContact O-CG 3.26Å; L2630-L2634 WeakPolarHBondContact O-CG 3.35Å; L2630-L2634 PolarHBondContact O-N 3.32Å; V2632-L2634 VanDerWaalsContact C-N 3.3Å; V2632-L2634 PolarHBondContact O-N 2.86Å; L2634-L2638 VanDerWaalsContact O-CB 3.23Å; L2634-L2638 WeakPolarHBondContact O-CB 3.33Å; L2634-L2638 WeakPolarHBondContact O-CD1 3.49Å; L2634-L2638 WeakPolarHBondContact O-CG 3.21Å; L2634-L2638 PolarHBondContact O-N 3.44Å |
| 2635 | K | 76.5 | Confident | 69 | Low | 131 Ų | 131 | 76.3 Ų | 76.3 | 57% | 0.57 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -67.2 | -42.4 | 175.5 | -76.5 | 178.3 | 178.5 | -173 | 0 | 111.6 | R2631 V2632 L2633 L2638 L2639 | R2631-K2635 WeakPolarHBondContact O-CG 3.42Å; R2631-K2635 PolarHBondContact O-N 2.96Å; V2632-K2635 WeakPolarHBondContact O-CA 3.05Å; V2632-K2635 WeakPolarHBondContact O-CB 3.13Å; V2632-K2635 PolarHBondContact O-N 2.98Å; L2633-K2635 VanDerWaalsContact C-N 3.32Å; L2633-K2635 PolarHBondContact O-N 3.44Å; K2635-L2638 PolarHBondContact O-N 2.93Å; K2635-L2639 WeakPolarHBondContact O-CB 3.37Å; K2635-L2639 PolarHBondContact O-N 2.94Å |
| 2636 | Q | 71.5 | Confident | 67 | Low | 45 Ų | 45 | 78.9 Ų | 78.9 | 21% | 0.21 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.9 | -48.2 | 175.3 | -72.3 | 170.4 | -3.4 | 0 | 0 | 110.6 | T2605 V2632 L2633 L2638 L2639 V2640 | T2605-Q2636 PolarHBondContact O-NE2 2.85Å; T2605-Q2636 PolarHBondContact O-OE1 3.21Å; V2632-Q2636 PolarHBondContact O-N 3.06Å; L2633-Q2636 PolarHBondContact O-N 2.92Å; Q2636-L2638 PolarHBondContact O-N 2.91Å; Q2636-L2639 PolarHBondContact O-N 2.94Å; Q2636-V2640 WeakPolarHBondContact O-CG2 3.34Å; Q2636-V2640 PolarHBondContact O-N 3.23Å |
| 2637 | V | 66.5 | Low | 64.7 | Low | 53 Ų | 53 | 83.1 Ų | 83.1 | 32% | 0.321 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -59.9 | -44.8 | 175.2 | 175.3 | 0 | 0 | 0 | 0 | 111.7 | F2602 L2633 V2640 A2641 | F2602-V2637 HydrophobicContact CE1-CG2 3.49Å; F2602-V2637 VanDerWaalsContact CE1-CG2 3.49Å; F2602-V2637 HydrophobicContact CZ-CB 4.41Å; F2602-V2637 HydrophobicContact CZ-CG2 3.77Å; L2633-V2637 VanDerWaalsContact O-CG2 3.27Å; L2633-V2637 WeakPolarHBondContact O-CG2 3.35Å; L2633-V2637 PolarHBondContact O-N 3.38Å; V2637-V2640 PolarHBondContact O-N 2.88Å; V2637-A2641 WeakPolarHBondContact O-CB 3.41Å; V2637-A2641 PolarHBondContact O-N 2.96Å |
| 2638 | L | 64.3 | Low | 62.6 | Low | 53 Ų | 53 | 86.1 Ų | 86.1 | 28% | 0.277 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.6 | -37.7 | 177.4 | -86.6 | 159.1 | 0 | 0 | 0 | 112.3 | L2634 K2635 Q2636 S2642 L2655 V2658 | L2634-L2638 VanDerWaalsContact O-CB 3.23Å; L2634-L2638 WeakPolarHBondContact O-CB 3.33Å; L2634-L2638 WeakPolarHBondContact O-CD1 3.49Å; L2634-L2638 WeakPolarHBondContact O-CG 3.21Å; L2634-L2638 PolarHBondContact O-N 3.44Å; K2635-L2638 PolarHBondContact O-N 2.93Å; Q2636-L2638 PolarHBondContact O-N 2.91Å; L2638-S2642 VanDerWaalsContact O-CB 3.23Å; L2638-S2642 WeakPolarHBondContact O-CB 3.36Å; L2638-S2642 PolarHBondContact O-N 2.84Å; L2638-S2642 PolarHBondContact O-OG 3.02Å; L2638-L2655 HydrophobicContact CD2-CD1 4.46Å; L2638-V2658 HydrophobicContact CD2-CB 4.04Å; L2638-V2658 HydrophobicContact CD2-CG1 3.72Å; L2638-V2658 HydrophobicContact CD2-CG2 4.36Å; L2638-V2658 HydrophobicContact CG-CG1 4.26Å |
| 2639 | L | 56.3 | Low | 60.5 | Low | 109 Ų | 109 | 89.5 Ų | 89.5 | 57% | 0.571 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -65.1 | -47.8 | 174.8 | -103.2 | 156.6 | 0 | 0 | 0 | 110.9 | K2635 Q2636 S2642 I2643 | K2635-L2639 WeakPolarHBondContact O-CB 3.37Å; K2635-L2639 PolarHBondContact O-N 2.94Å; Q2636-L2639 PolarHBondContact O-N 2.94Å; L2639-S2642 CarbonylContact O-C 3.54Å; L2639-S2642 WeakPolarHBondContact O-CB 3.28Å; L2639-S2642 PolarHBondContact O-N 3.28Å; L2639-S2642 VanDerWaalsContact O-N 3.15Å; L2639-I2643 VanDerWaalsContact O-CG1 3.29Å; L2639-I2643 WeakPolarHBondContact O-CG1 3.45Å; L2639-I2643 PolarHBondContact O-N 3.3Å |
| 2640 | V | 53.5 | Low | 58.3 | Low | 56 Ų | 56 | 92 Ų | 92 | 34% | 0.339 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 177.9 | 178.9 | 0 | 0 | 0 | 0 | 111 | F2602 Q2636 V2637 S2642 I2643 F2644 | F2602-V2640 HydrophobicContact CE2-CB 4.22Å; F2602-V2640 HydrophobicContact CE2-CG1 4.05Å; F2602-V2640 HydrophobicContact CE2-CG2 4.26Å; F2602-V2640 HydrophobicContact CZ-CB 4.4Å; F2602-V2640 HydrophobicContact CZ-CG2 4.31Å; Q2636-V2640 WeakPolarHBondContact O-CG2 3.34Å; Q2636-V2640 PolarHBondContact O-N 3.23Å; V2637-V2640 PolarHBondContact O-N 2.88Å; V2640-S2642 VanDerWaalsContact C-N 3.26Å; V2640-S2642 PolarHBondContact O-N 3.16Å; V2640-I2643 PolarHBondContact O-N 3.37Å; V2640-F2644 HydrophobicContact CG1-CD2 4.05Å; V2640-F2644 WeakPolarHBondContact O-CB 3.42Å; V2640-F2644 PolarHBondContact O-N 2.8Å |
| 2641 | A | 52.5 | Low | 56.3 | Low | 27 Ų | 27 | 90.6 Ų | 90.6 | 22% | 0.223 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -62 | -36.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V2637 F2645 L2654 | V2637-A2641 WeakPolarHBondContact O-CB 3.41Å; V2637-A2641 PolarHBondContact O-N 2.96Å; A2641-F2645 WeakPolarHBondContact O-CB 3.45Å; A2641-F2645 PolarHBondContact O-N 2.82Å; A2641-L2654 HydrophobicContact CB-CD2 4.03Å |
| 2642 | S | 48.7 | Very low | 54.5 | Low | 44 Ų | 44 | 88.3 Ų | 88.3 | 31% | 0.308 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -69.4 | -39.3 | 174.5 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | L2638 L2639 V2640 F2645 C2646 | L2638-S2642 VanDerWaalsContact O-CB 3.23Å; L2638-S2642 WeakPolarHBondContact O-CB 3.36Å; L2638-S2642 PolarHBondContact O-N 2.84Å; L2638-S2642 PolarHBondContact O-OG 3.02Å; L2639-S2642 CarbonylContact O-C 3.54Å; L2639-S2642 WeakPolarHBondContact O-CB 3.28Å; L2639-S2642 PolarHBondContact O-N 3.28Å; L2639-S2642 VanDerWaalsContact O-N 3.15Å; V2640-S2642 VanDerWaalsContact C-N 3.26Å; V2640-S2642 PolarHBondContact O-N 3.16Å; S2642-F2645 CarbonylContact O-C 3.5Å; S2642-F2645 PolarHBondContact O-N 3.12Å; S2642-C2646 WeakPolarHBondContact O-CA 3.44Å; S2642-C2646 WeakPolarHBondContact O-CB 3.31Å; S2642-C2646 PolarHBondContact O-N 3.27Å |
| 2643 | I | 48 | Very low | 52.7 | Low | 112 Ų | 112 | 93.8 Ų | 93.8 | 57% | 0.574 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68.3 | -46.5 | 178 | -68.5 | 162.3 | 0 | 0 | 0 | 110.6 | L2639 V2640 F2645 C2646 | L2639-I2643 VanDerWaalsContact O-CG1 3.29Å; L2639-I2643 WeakPolarHBondContact O-CG1 3.45Å; L2639-I2643 PolarHBondContact O-N 3.3Å; V2640-I2643 PolarHBondContact O-N 3.37Å; I2643-F2645 VanDerWaalsContact C-N 3.26Å; I2643-F2645 PolarHBondContact O-N 3.08Å; I2643-C2646 PolarHBondContact O-N 3.42Å |
| 2644 | F | 46.4 | Very low | 50.9 | Low | 168 Ų | 168 | 93.7 Ų | 93.7 | 74% | 0.737 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.4 | -33.9 | 175.2 | -103.7 | -89.2 | 0 | 0 | 0 | 112.4 | V2640 | V2640-F2644 HydrophobicContact CG1-CD2 4.05Å; V2640-F2644 WeakPolarHBondContact O-CB 3.42Å; V2640-F2644 PolarHBondContact O-N 2.8Å |
| 2645 | F | 43.5 | Very low | 49.1 | Very low | 83 Ų | 83 | 95.8 Ų | 95.8 | 36% | 0.364 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -90.2 | -13.9 | 175 | -91.9 | -88.8 | 0 | 0 | 0 | 114.8 | A2641 S2642 I2643 W2647 N2648 L2650 L2654 | A2641-F2645 WeakPolarHBondContact O-CB 3.45Å; A2641-F2645 PolarHBondContact O-N 2.82Å; S2642-F2645 CarbonylContact O-C 3.5Å; S2642-F2645 PolarHBondContact O-N 3.12Å; I2643-F2645 VanDerWaalsContact C-N 3.26Å; I2643-F2645 PolarHBondContact O-N 3.08Å; F2645-W2647 PolarHBondContact O-N 3.14Å; F2645-N2648 CarbonylContact O-C 3.09Å; F2645-N2648 WeakPolarHBondContact O-CA 3.36Å; F2645-N2648 PolarHBondContact O-N 3.22Å; F2645-L2650 HydrophobicContact CD1-CB 4.29Å; F2645-L2654 HydrophobicContact CD2-CD1 4.34Å; F2645-L2654 HydrophobicContact CD2-CD2 3.98Å; F2645-L2654 HydrophobicContact CE2-CD1 4.08Å; F2645-L2654 HydrophobicContact CE2-CD2 4.31Å; F2645-L2654 HydrophobicContact CZ-CD1 4.16Å |
| 2646 | C | 43.6 | Very low | 47.1 | Very low | 96 Ų | 96 | 95.3 Ų | 95.3 | 65% | 0.649 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -72.8 | -15 | 176.6 | -154.9 | 0 | 0 | 0 | 0 | 111.5 | S2642 I2643 N2648 | S2642-C2646 WeakPolarHBondContact O-CA 3.44Å; S2642-C2646 WeakPolarHBondContact O-CB 3.31Å; S2642-C2646 PolarHBondContact O-N 3.27Å; I2643-C2646 PolarHBondContact O-N 3.42Å; C2646-N2648 PolarHBondContact O-N 2.86Å |
| 2647 | W | 38.6 | Very low | 45.7 | Very low | 235 Ų | 235 | 96.5 Ų | 96.5 | 89% | 0.89 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -12.9 | 164.8 | -138.1 | -57.6 | 0 | 0 | 0 | 113 | F2645 | F2645-W2647 PolarHBondContact O-N 3.14Š|
| 2648 | N | 40.8 | Very low | 44.5 | Very low | 120 Ų | 120 | 95.6 Ų | 95.6 | 64% | 0.642 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.1 | 75 | 177 | -85.9 | -38.3 | 0 | 0 | 0 | 111.1 | F2645 C2646 L2650 | F2645-N2648 CarbonylContact O-C 3.09Å; F2645-N2648 WeakPolarHBondContact O-CA 3.36Å; F2645-N2648 PolarHBondContact O-N 3.22Å; C2646-N2648 PolarHBondContact O-N 2.86Å; N2648-L2650 WeakPolarHBondContact O-CB 3.4Å; N2648-L2650 PolarHBondContact O-N 3.23Å |
| 2649 | C | 41.2 | Very low | 43.1 | Very low | 138 Ų | 138 | 101.7 Ų | 101.7 | 93% | 0.932 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 29.4 | 21.8 | 156.8 | -119.5 | 0 | 0 | 0 | 0 | 121.5 | ||
| 2650 | L | 37.8 | Very low | 42.2 | Very low | 69 Ų | 69 | 104 Ų | 104 | 36% | 0.361 | 52% | 0.52 | S | S | . | . | trans | -130.6 | 28.4 | -168.2 | -143.8 | 86 | 0 | 0 | 0 | 113 | F2645 N2648 V2652 Y2653 L2654 | F2645-L2650 HydrophobicContact CD1-CB 4.29Å; N2648-L2650 WeakPolarHBondContact O-CB 3.4Å; N2648-L2650 PolarHBondContact O-N 3.23Å; L2650-V2652 PolarHBondContact O-N 3.4Å; L2650-Y2653 HydrophobicContact CD1-CD2 4.15Å; L2650-Y2653 HydrophobicContact CG-CD2 4.28Å; L2650-Y2653 HydrophobicContact CG-CG 4.49Å; L2650-Y2653 PolarHBondContact O-N 3.25Å; L2650-L2654 PolarHBondContact O-N 2.92Å | ||
| 2651 | S | 39.9 | Very low | 41.3 | Very low | 66 Ų | 66 | 109.3 Ų | 109.3 | 46% | 0.462 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -54.7 | -33.2 | 174.5 | 168 | 0 | 0 | 0 | 0 | 112.6 | ||
| 2652 | V | 43.2 | Very low | 40.4 | Very low | 111 Ų | 111 | 113.4 Ų | 113.4 | 67% | 0.673 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -76.7 | -31.3 | -176.2 | -176.6 | 0 | 0 | 0 | 0 | 113.4 | L2650 | L2650-V2652 PolarHBondContact O-N 3.4Å |
| 2653 | Y | 41.8 | Very low | 39.7 | Very low | 156 Ų | 156 | 115.5 Ų | 115.5 | 61% | 0.612 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -83.9 | -34 | -179 | -82.7 | -90.4 | 0 | 0 | 0 | 112.8 | L2650 L2655 K2656 V2657 | L2650-Y2653 HydrophobicContact CD1-CD2 4.15Å; L2650-Y2653 HydrophobicContact CG-CD2 4.28Å; L2650-Y2653 HydrophobicContact CG-CG 4.49Å; L2650-Y2653 PolarHBondContact O-N 3.25Å; Y2653-L2655 PolarHBondContact O-N 2.94Å; Y2653-K2656 WeakPolarHBondContact O-CB 3.47Å; Y2653-K2656 PolarHBondContact O-N 3.09Å; Y2653-V2657 WeakPolarHBondContact O-CG2 3.33Å; Y2653-V2657 PolarHBondContact O-N 3.33Å |
| 2654 | L | 39.2 | Very low | 39 | Very low | 42 Ų | 42 | 116.2 Ų | 116.2 | 22% | 0.22 | 56% | 0.562 | C | S | . | * | H | α-helix | trans | -70.4 | -34.4 | 179.6 | -142.7 | 86.7 | 0 | 0 | 0 | 111.9 | A2641 F2645 L2650 K2656 V2657 V2658 | A2641-L2654 HydrophobicContact CB-CD2 4.03Å; F2645-L2654 HydrophobicContact CD2-CD1 4.34Å; F2645-L2654 HydrophobicContact CD2-CD2 3.98Å; F2645-L2654 HydrophobicContact CE2-CD1 4.08Å; F2645-L2654 HydrophobicContact CE2-CD2 4.31Å; F2645-L2654 HydrophobicContact CZ-CD1 4.16Å; L2650-L2654 PolarHBondContact O-N 2.92Å; L2654-K2656 PolarHBondContact O-N 3.15Å; L2654-V2657 PolarHBondContact O-N 2.84Å; L2654-V2658 HydrophobicContact CD2-CG2 4.2Å; L2654-V2658 HydrophobicContact CG-CG2 4.15Å; L2654-V2658 WeakPolarHBondContact O-CG2 3.46Å; L2654-V2658 PolarHBondContact O-N 3.37Å |
| 2655 | L | 37.2 | Very low | 38.5 | Very low | 97 Ų | 97 | 113 Ų | 113 | 51% | 0.508 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60 | -34.8 | 173.6 | -154.3 | 80.6 | 0 | 0 | 0 | 111.5 | L2638 Y2653 R2659 | L2638-L2655 HydrophobicContact CD2-CD1 4.46Å; Y2653-L2655 PolarHBondContact O-N 2.94Å; L2655-R2659 VanDerWaalsContact O-CB 3.3Å; L2655-R2659 WeakPolarHBondContact O-CB 3.34Å; L2655-R2659 PolarHBondContact O-N 3.29Å |
| 2656 | K | 35.5 | Very low | 37.9 | Very low | 122 Ų | 122 | 117.4 Ų | 117.4 | 53% | 0.53 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -72.6 | -39.1 | 172 | -88.9 | 178.5 | 176.8 | 173.3 | 0 | 112.3 | Y2653 L2654 R2660 | Y2653-K2656 WeakPolarHBondContact O-CB 3.47Å; Y2653-K2656 PolarHBondContact O-N 3.09Å; L2654-K2656 PolarHBondContact O-N 3.15Å; K2656-R2660 WeakPolarHBondContact O-CB 3.48Å; K2656-R2660 WeakPolarHBondContact O-CD 3.5Å; K2656-R2660 WeakPolarHBondContact O-CG 3.27Å; K2656-R2660 PolarHBondContact O-N 2.88Å |
| 2657 | V | 42.4 | Very low | 37.3 | Very low | 69 Ų | 69 | 116.9 Ų | 116.9 | 42% | 0.418 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -74.1 | -42.9 | -178.4 | 174.8 | 0 | 0 | 0 | 0 | 112.3 | Y2653 L2654 R2660 K2661 | Y2653-V2657 WeakPolarHBondContact O-CG2 3.33Å; Y2653-V2657 PolarHBondContact O-N 3.33Å; L2654-V2657 PolarHBondContact O-N 2.84Å; V2657-R2660 CarbonylContact O-C 3.56Å; V2657-R2660 PolarHBondContact O-N 3Å; V2657-K2661 PolarHBondContact O-N 3.24Å |
| 2658 | V | 41.3 | Very low | 37 | Very low | 35 Ų | 35 | 108.3 Ų | 108.3 | 21% | 0.212 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -67.6 | -41.3 | 177 | 178.4 | 0 | 0 | 0 | 0 | 110.2 | L2638 L2654 R2660 L2662 | L2638-V2658 HydrophobicContact CD2-CB 4.04Å; L2638-V2658 HydrophobicContact CD2-CG1 3.72Å; L2638-V2658 HydrophobicContact CD2-CG2 4.36Å; L2638-V2658 HydrophobicContact CG-CG1 4.26Å; L2654-V2658 HydrophobicContact CD2-CG2 4.2Å; L2654-V2658 HydrophobicContact CG-CG2 4.15Å; L2654-V2658 WeakPolarHBondContact O-CG2 3.46Å; L2654-V2658 PolarHBondContact O-N 3.37Å; V2658-R2660 VanDerWaalsContact C-N 3.28Å; V2658-R2660 PolarHBondContact O-N 3.22Å; V2658-L2662 HydrophobicContact CG1-CD1 3.94Å; V2658-L2662 WeakPolarHBondContact O-CB 3.28Å; V2658-L2662 PolarHBondContact O-N 2.61Å |
| 2659 | R | 34.2 | Very low | 36.7 | Very low | 180 Ų | 180 | 109.2 Ų | 109.2 | 68% | 0.679 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.4 | -33.9 | 167.4 | -95.2 | -178 | 161.8 | 159.9 | -4.6 | 112.6 | L2655 M2663 | L2655-R2659 VanDerWaalsContact O-CB 3.3Å; L2655-R2659 WeakPolarHBondContact O-CB 3.34Å; L2655-R2659 PolarHBondContact O-N 3.29Å; R2659-M2663 WeakPolarHBondContact O-CB 3.46Å |
| 2660 | R | 37.4 | Very low | 36.2 | Very low | 157 Ų | 157 | 111 Ų | 111 | 59% | 0.592 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -81.2 | -30.1 | -177.7 | -81.4 | 172.1 | 175.2 | -176.4 | -3.7 | 114.7 | K2656 V2657 V2658 | K2656-R2660 WeakPolarHBondContact O-CB 3.48Å; K2656-R2660 WeakPolarHBondContact O-CD 3.5Å; K2656-R2660 WeakPolarHBondContact O-CG 3.27Å; K2656-R2660 PolarHBondContact O-N 2.88Å; V2657-R2660 CarbonylContact O-C 3.56Å; V2657-R2660 PolarHBondContact O-N 3Å; V2658-R2660 VanDerWaalsContact C-N 3.28Å; V2658-R2660 PolarHBondContact O-N 3.22Å |
| 2661 | K | 33.5 | Very low | 35.8 | Very low | 169 Ų | 169 | 114.3 Ų | 114.3 | 74% | 0.735 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -99.2 | -34.8 | -178.1 | -85.6 | -162.6 | 171.9 | -171.3 | 0 | 114.3 | V2657 | V2657-K2661 PolarHBondContact O-N 3.24Å |
| 2662 | L | 34.5 | Very low | 35.1 | Very low | 112 Ų | 112 | 114.5 Ų | 114.5 | 59% | 0.586 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -87.9 | -26.2 | 179.9 | -96.9 | 145.9 | 0 | 0 | 0 | 112.9 | V2658 K2664 | V2658-L2662 HydrophobicContact CG1-CD1 3.94Å; V2658-L2662 WeakPolarHBondContact O-CB 3.28Å; V2658-L2662 PolarHBondContact O-N 2.61Å; L2662-K2664 PolarHBondContact O-N 2.95Å; L2662-K2664 VanDerWaalsContact O-N 3.16Å |
| 2663 | M | 33.1 | Very low | 34.3 | Very low | 89 Ų | 89 | 112.2 Ų | 112.2 | 44% | 0.438 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -86 | 83.6 | 168.4 | -58 | -87.7 | 175.7 | 0 | 0 | 109 | R2659 L2667 | R2659-M2663 WeakPolarHBondContact O-CB 3.46Å; M2663-L2667 HydrophobicContact SD-CB 4.13Å |
| 2664 | K | 35.1 | Very low | 33.5 | Very low | 127 Ų | 127 | 116.7 Ų | 116.7 | 55% | 0.552 | 58% | 0.577 | S | S | * | * | trans | -53.3 | 138.4 | 158.7 | -74.8 | -177.1 | 178.3 | 177.8 | 0 | 107.8 | V2501 L2662 R2666 L2667 | V2501-K2664 HydrophobicContact CG1-CD 4.47Å; L2662-K2664 PolarHBondContact O-N 2.95Å; L2662-K2664 VanDerWaalsContact O-N 3.16Å; K2664-R2666 PolarHBondContact O-N 2.75Å; K2664-L2667 PolarHBondContact O-N 2.82Å; K2664-L2667 VanDerWaalsContact O-N 3.11Å | ||
| 2665 | P | 34.5 | Very low | 32.8 | Very low | 99 Ų | 99 | 124.8 Ų | 124.8 | 64% | 0.643 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | -16.4 | -162.8 | 16.3 | -28.8 | 0 | 0 | 0 | 115.7 | L2667 A2668 D2669 | P2665-L2667 VanDerWaalsContact C-N 3.3Å; P2665-L2667 PolarHBondContact O-N 2.81Å; P2665-A2668 WeakPolarHBondContact O-CB 3.21Å; P2665-A2668 PolarHBondContact O-N 2.98Å; P2665-D2669 PolarHBondContact O-N 2.76Å |
| 2666 | R | 31.8 | Very low | 32.3 | Very low | 176 Ų | 176 | 124 Ų | 124 | 66% | 0.664 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -72.9 | -14.1 | 176.9 | -68.7 | -169.4 | -177 | 173.7 | 4.2 | 115.1 | E2504 K2664 | E2504-R2666 IonicContact OE1-NH2 3.5Å; E2504-R2666 PolarHBondContact OE1-NH2 3.04Å; E2504-R2666 IonicContact OE2-CZ 3.93Å; E2504-R2666 IonicContact OE2-NH2 2.8Å; E2504-R2666 PolarHBondContact OE2-NH2 2.77Å; K2664-R2666 PolarHBondContact O-N 2.75Å |
| 2667 | L | 30.2 | Very low | 31.8 | Very low | 86 Ų | 86 | 126.8 Ų | 126.8 | 45% | 0.45 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -78.1 | -26.5 | 165.6 | -98.7 | 156.9 | 0 | 0 | 0 | 111.9 | M2663 K2664 P2665 F2670 F2671 | M2663-L2667 HydrophobicContact SD-CB 4.13Å; K2664-L2667 PolarHBondContact O-N 2.82Å; K2664-L2667 VanDerWaalsContact O-N 3.11Å; P2665-L2667 VanDerWaalsContact C-N 3.3Å; P2665-L2667 PolarHBondContact O-N 2.81Å; L2667-F2670 WeakPolarHBondContact O-CB 3.22Å; L2667-F2670 PolarHBondContact O-N 3.33Å; L2667-F2671 HydrophobicContact CD2-CD2 4.33Å; L2667-F2671 HydrophobicContact CD2-CE2 3.91Å; L2667-F2671 VanDerWaalsContact O-CD2 3.24Å; L2667-F2671 WeakPolarHBondContact O-CD2 3.19Å; L2667-F2671 PolarHBondContact O-N 2.9Å; L2667-F2671 VanDerWaalsContact O-N 3.07Å |
| 2668 | A | 33.1 | Very low | 30.9 | Very low | 54 Ų | 54 | 129.4 Ų | 129.4 | 45% | 0.446 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -72.7 | -32.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | P2665 F2670 F2671 G2672 | P2665-A2668 WeakPolarHBondContact O-CB 3.21Å; P2665-A2668 PolarHBondContact O-N 2.98Å; A2668-F2670 VanDerWaalsContact C-N 3.25Å; A2668-F2670 PolarHBondContact O-N 3.32Å; A2668-F2671 CarbonylContact O-C 3.54Å; A2668-F2671 WeakPolarHBondContact O-CA 3.37Å; A2668-F2671 PolarHBondContact O-N 2.94Å; A2668-G2672 PolarHBondContact O-N 3.15Å |
| 2669 | D | 33.2 | Very low | 30.2 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 74% | 0.743 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -69.5 | -25.5 | 171.4 | -75.9 | -19.5 | 0 | 0 | 0 | 112.4 | P2665 F2671 | P2665-D2669 PolarHBondContact O-N 2.76Å; D2669-F2671 VanDerWaalsContact C-N 3.33Å |
| 2670 | F | 30.6 | Very low | 29.9 | Very low | 177 Ų | 177 | 136.6 Ų | 136.6 | 78% | 0.776 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -74.6 | -25.4 | 169.1 | -135.6 | -87.9 | 0 | 0 | 0 | 112.5 | L2667 A2668 | L2667-F2670 WeakPolarHBondContact O-CB 3.22Å; L2667-F2670 PolarHBondContact O-N 3.33Å; A2668-F2670 VanDerWaalsContact C-N 3.25Å; A2668-F2670 PolarHBondContact O-N 3.32Å |
| 2671 | F | 30.6 | Very low | 29.5 | Very low | 138 Ų | 138 | 138.3 Ų | 138.3 | 61% | 0.605 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.1 | 60.1 | 173.6 | -69.7 | -70.7 | 0 | 0 | 0 | 110.8 | L2667 A2668 D2669 G2673 | L2667-F2671 HydrophobicContact CD2-CD2 4.33Å; L2667-F2671 HydrophobicContact CD2-CE2 3.91Å; L2667-F2671 VanDerWaalsContact O-CD2 3.24Å; L2667-F2671 WeakPolarHBondContact O-CD2 3.19Å; L2667-F2671 PolarHBondContact O-N 2.9Å; L2667-F2671 VanDerWaalsContact O-N 3.07Å; A2668-F2671 CarbonylContact O-C 3.54Å; A2668-F2671 WeakPolarHBondContact O-CA 3.37Å; A2668-F2671 PolarHBondContact O-N 2.94Å; D2669-F2671 VanDerWaalsContact C-N 3.33Å; F2671-G2673 PolarHBondContact O-N 3.27Å |
| 2672 | G | 25.6 | Very low | 29.4 | Very low | 69 Ų | 69 | 135.6 Ų | 135.6 | 71% | 0.711 | 69% | 0.694 | S | S | * | * | trans | 19 | 94.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | A2668 | A2668-G2672 PolarHBondContact O-N 3.15Š| ||
| 2673 | G | 25.1 | Very low | 29.4 | Very low | 63 Ų | 63 | 139.4 Ų | 139.4 | 65% | 0.649 | 70% | 0.7 | S | S | * | * | trans | 57.2 | 110.8 | 141 | 0 | 0 | 0 | 0 | 0 | 119.3 | F2671 | F2671-G2673 PolarHBondContact O-N 3.27Š| ||
| 2674 | R | 26.6 | Very low | 29.7 | Very low | 251 Ų | 251 | 140 Ų | 140 | 95% | 0.947 | 71% | 0.706 | S | S | * | * | trans | -155.9 | 132.1 | 133.9 | -103 | 171.9 | -155.4 | -158.4 | 5.9 | 109.1 | A2676 | R2674-A2676 PolarHBondContact O-N 3.04Š| ||
| 2675 | K | 24.4 | Very low | 29.9 | Very low | 212 Ų | 212 | 139 Ų | 139 | 92% | 0.922 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 127 | -172.8 | -66.5 | 172.7 | 177.1 | 176 | 0 | 111.4 | ||
| 2676 | A | 25.5 | Very low | 30.3 | Very low | 80 Ų | 80 | 136.7 Ų | 136.7 | 66% | 0.661 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 123.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111 | R2674 Y2679 | R2674-A2676 PolarHBondContact O-N 3.04Å; A2676-Y2679 HydrophobicContact CB-CE2 4.27Å |
| 2677 | E | 24.5 | Very low | 30.5 | Very low | 181 Ų | 181 | 133.2 Ų | 133.2 | 85% | 0.846 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 150.8 | 169 | -69.5 | 174.1 | 164.8 | 0 | 0 | 110.9 | ||
| 2678 | S | 24.9 | Very low | 30.7 | Very low | 124 Ų | 124 | 134.2 Ų | 134.2 | 87% | 0.867 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 132.5 | -170.5 | 50.4 | 0 | 0 | 0 | 0 | 115 | ||
| 2679 | Y | 25.9 | Very low | 30.9 | Very low | 176 Ų | 176 | 140 Ų | 140 | 69% | 0.69 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 126.4 | -179.9 | -71.1 | -100.4 | 0 | 0 | 0 | 111.3 | A2676 | A2676-Y2679 HydrophobicContact CB-CE2 4.27Š|
| 2680 | Q | 27.1 | Very low | 31.3 | Very low | 190 Ų | 190 | 139.3 Ų | 139.3 | 89% | 0.888 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 123 | 165.9 | -113 | 163.5 | -17.3 | 0 | 0 | 108.8 | L2682 | Q2680-L2682 PolarHBondContact O-N 3.26Š|
| 2681 | E | 29.2 | Very low | 31.6 | Very low | 192 Ų | 192 | 136.6 Ų | 136.6 | 90% | 0.897 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -62 | 124.9 | 174 | -78.4 | 178.4 | 140 | 0 | 0 | 110.3 | R2683 | E2681-R2683 PolarHBondContact O-N 3.48Š|
| 2682 | L | 32 | Very low | 31.7 | Very low | 112 Ų | 112 | 135 Ų | 135 | 59% | 0.586 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 124.9 | 171.2 | -96.4 | 118.4 | 0 | 0 | 0 | 109.5 | Q2680 D2686 | Q2680-L2682 PolarHBondContact O-N 3.26Å; L2682-D2686 HydrophobicContact CD2-CB 3.8Å |
| 2683 | R | 35.3 | Very low | 32.1 | Very low | 192 Ų | 192 | 134.8 Ų | 134.8 | 73% | 0.725 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 143 | 176.4 | -68.6 | 177.5 | -72.1 | -168.2 | -3.3 | 110.3 | E2681 E2685 D2686 | E2681-R2683 PolarHBondContact O-N 3.48Å; R2683-E2685 PolarHBondContact O-N 3.16Å; R2683-E2685 VanDerWaalsContact O-N 3.07Å; R2683-D2686 PolarHBondContact O-N 2.84Å |
| 2684 | D | 38.5 | Very low | 32.4 | Very low | 103 Ų | 103 | 138.3 Ų | 138.3 | 55% | 0.551 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -60.3 | -22 | -176.9 | -71.8 | -35.2 | 0 | 0 | 0 | 113.7 | D2686 K2687 K2688 | D2684-D2686 VanDerWaalsContact C-N 3.31Å; D2684-D2686 PolarHBondContact O-N 3.34Å; D2684-K2687 WeakPolarHBondContact O-CB 3.34Å; D2684-K2687 PolarHBondContact O-N 3.48Å; D2684-K2687 IonicContact OD1-NZ 2.75Å; D2684-K2687 PolarHBondContact OD1-NZ 2.66Å; D2684-K2688 WeakPolarHBondContact O-CG 3.22Å; D2684-K2688 PolarHBondContact O-N 3.24Å |
| 2685 | E | 40.1 | Very low | 32.5 | Very low | 104 Ų | 104 | 130.7 Ų | 130.7 | 49% | 0.486 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -63.1 | -34.2 | 173.1 | -69.6 | -61 | 129.9 | 0 | 0 | 112.8 | R2683 K2688 R2689 | R2683-E2685 PolarHBondContact O-N 3.16Å; R2683-E2685 VanDerWaalsContact O-N 3.07Å; E2685-K2688 PolarHBondContact O-N 3.17Å; E2685-K2688 IonicContact OE1-NZ 2.87Å; E2685-K2688 PolarHBondContact OE1-NZ 2.82Å; E2685-R2689 WeakPolarHBondContact O-CG 3.4Å; E2685-R2689 PolarHBondContact O-N 3.22Å |
| 2686 | D | 42.6 | Very low | 32.8 | Very low | 52 Ų | 52 | 125.8 Ų | 125.8 | 28% | 0.278 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -75.4 | -29.6 | 176.5 | -64.7 | -36.6 | 0 | 0 | 0 | 111.5 | L2682 R2683 D2684 M2690 | L2682-D2686 HydrophobicContact CD2-CB 3.8Å; R2683-D2686 PolarHBondContact O-N 2.84Å; D2684-D2686 VanDerWaalsContact C-N 3.31Å; D2684-D2686 PolarHBondContact O-N 3.34Å; D2686-M2690 PolarHBondContact O-N 3.42Å; D2686-M2690 VanDerWaalsContact O-N 3.11Å |
| 2687 | K | 35.8 | Very low | 33 | Very low | 102 Ų | 102 | 126.3 Ų | 126.3 | 44% | 0.443 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -66.7 | -43.4 | 170 | -62.1 | 177.7 | -168.1 | 154.5 | 0 | 110.8 | D2684 M2690 I2691 | D2684-K2687 WeakPolarHBondContact O-CB 3.34Å; D2684-K2687 PolarHBondContact O-N 3.48Å; D2684-K2687 IonicContact OD1-NZ 2.75Å; D2684-K2687 PolarHBondContact OD1-NZ 2.66Å; K2687-M2690 PolarHBondContact O-N 2.91Å; K2687-I2691 VanDerWaalsContact O-CG1 3.31Å; K2687-I2691 WeakPolarHBondContact O-CG1 3.26Å; K2687-I2691 PolarHBondContact O-N 2.97Å; K2687-I2691 VanDerWaalsContact O-N 3.15Å |
| 2688 | K | 34.3 | Very low | 33.3 | Very low | 108 Ų | 108 | 122.3 Ų | 122.3 | 47% | 0.47 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -63.3 | -40.7 | 175.1 | -72.4 | 178.3 | -170.4 | 165.1 | 0 | 111.8 | D2684 E2685 M2690 I2691 L2692 | D2684-K2688 WeakPolarHBondContact O-CG 3.22Å; D2684-K2688 PolarHBondContact O-N 3.24Å; E2685-K2688 PolarHBondContact O-N 3.17Å; E2685-K2688 IonicContact OE1-NZ 2.87Å; E2685-K2688 PolarHBondContact OE1-NZ 2.82Å; K2688-M2690 PolarHBondContact O-N 3.29Å; K2688-I2691 PolarHBondContact O-N 3.32Å; K2688-I2691 VanDerWaalsContact O-N 3.12Å; K2688-L2692 HydrophobicContact CB-CD1 4.43Å; K2688-L2692 WeakPolarHBondContact O-CB 3.36Å; K2688-L2692 WeakPolarHBondContact O-CG 3.48Å; K2688-L2692 PolarHBondContact O-N 2.9Å |
| 2689 | R | 37.3 | Very low | 33.5 | Very low | 176 Ų | 176 | 121.7 Ų | 121.7 | 66% | 0.664 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -62.9 | -38.8 | 176.1 | -75.4 | 174.8 | 180 | -172.8 | -2.4 | 112.7 | E2685 I2691 A2693 | E2685-R2689 WeakPolarHBondContact O-CG 3.4Å; E2685-R2689 PolarHBondContact O-N 3.22Å; R2689-I2691 VanDerWaalsContact C-N 3.3Å; R2689-I2691 PolarHBondContact O-N 3.01Å; R2689-A2693 WeakPolarHBondContact O-CB 3.02Å; R2689-A2693 PolarHBondContact O-N 3.3Å |
| 2690 | M | 42.2 | Very low | 33.6 | Very low | 124 Ų | 124 | 123.6 Ų | 123.6 | 61% | 0.611 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65 | -32.6 | 172.3 | -84.5 | -172.7 | -63.9 | 0 | 0 | 113.1 | D2686 K2687 K2688 | D2686-M2690 PolarHBondContact O-N 3.42Å; D2686-M2690 VanDerWaalsContact O-N 3.11Å; K2687-M2690 PolarHBondContact O-N 2.91Å; K2688-M2690 PolarHBondContact O-N 3.29Å |
| 2691 | I | 36.5 | Very low | 33.7 | Very low | 119 Ų | 119 | 117.5 Ų | 117.5 | 61% | 0.61 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -80 | -42 | 179.7 | -64.9 | 165.8 | 0 | 0 | 0 | 111.2 | K2687 K2688 R2689 A2693 L2694 | K2687-I2691 VanDerWaalsContact O-CG1 3.31Å; K2687-I2691 WeakPolarHBondContact O-CG1 3.26Å; K2687-I2691 PolarHBondContact O-N 2.97Å; K2687-I2691 VanDerWaalsContact O-N 3.15Å; K2688-I2691 PolarHBondContact O-N 3.32Å; K2688-I2691 VanDerWaalsContact O-N 3.12Å; R2689-I2691 VanDerWaalsContact C-N 3.3Å; R2689-I2691 PolarHBondContact O-N 3.01Å; I2691-A2693 VanDerWaalsContact C-N 3.33Å; I2691-A2693 PolarHBondContact O-N 3.28Å; I2691-L2694 PolarHBondContact O-N 3.42Å |
| 2692 | L | 33.1 | Very low | 33.7 | Very low | 106 Ų | 106 | 114.7 Ų | 114.7 | 56% | 0.555 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -74.1 | -21.3 | -176.9 | -72.8 | 166.9 | 0 | 0 | 0 | 113.6 | K2688 L2694 T2695 | K2688-L2692 HydrophobicContact CB-CD1 4.43Å; K2688-L2692 WeakPolarHBondContact O-CB 3.36Å; K2688-L2692 WeakPolarHBondContact O-CG 3.48Å; K2688-L2692 PolarHBondContact O-N 2.9Å; L2692-L2694 PolarHBondContact O-N 3.22Å; L2692-T2695 PolarHBondContact O-N 2.84Å; L2692-T2695 PolarHBondContact O-OG1 2.97Å |
| 2693 | A | 34.2 | Very low | 33.5 | Very low | 64 Ų | 64 | 119 Ų | 119 | 53% | 0.529 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66.6 | -18.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R2689 I2691 | R2689-A2693 WeakPolarHBondContact O-CB 3.02Å; R2689-A2693 PolarHBondContact O-N 3.3Å; I2691-A2693 VanDerWaalsContact C-N 3.33Å; I2691-A2693 PolarHBondContact O-N 3.28Å |
| 2694 | L | 30.3 | Very low | 33.1 | Very low | 136 Ų | 136 | 117.6 Ų | 117.6 | 71% | 0.712 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -84.5 | -29.9 | 177.7 | -128.5 | 83.8 | 0 | 0 | 0 | 113.3 | I2691 L2692 | I2691-L2694 PolarHBondContact O-N 3.42Å; L2692-L2694 PolarHBondContact O-N 3.22Å |
| 2695 | T | 29.8 | Very low | 32.6 | Very low | 91 Ų | 91 | 118.2 Ų | 118.2 | 56% | 0.558 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -81.6 | -14.5 | -174.5 | 45.9 | 0 | 0 | 0 | 0 | 114.3 | L2692 | L2692-T2695 PolarHBondContact O-N 2.84Å; L2692-T2695 PolarHBondContact O-OG1 2.97Å |
| 2696 | T | 29.4 | Very low | 32 | Very low | 109 Ų | 109 | 122.1 Ų | 122.1 | 67% | 0.669 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -7 | 176.9 | 43.7 | 0 | 0 | 0 | 0 | 114.1 | ||
| 2697 | C | 30.2 | Very low | 31.4 | Very low | 91 Ų | 91 | 122.7 Ų | 122.7 | 62% | 0.615 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -92.4 | -13.3 | -176.6 | -120.6 | 0 | 0 | 0 | 0 | 114.8 | V2699 | C2697-V2699 VanDerWaalsContact C-N 3.31Å; C2697-V2699 PolarHBondContact O-N 3.34Å |
| 2698 | T | 30.1 | Very low | 31 | Very low | 98 Ų | 98 | 127 Ų | 127 | 60% | 0.601 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -73.3 | -20.3 | 179.5 | 46.7 | 0 | 0 | 0 | 0 | 113.6 | ||
| 2699 | V | 30.4 | Very low | 30.7 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 67% | 0.667 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -84.2 | -19.8 | 179.3 | -176.8 | 0 | 0 | 0 | 0 | 112.7 | C2697 | C2697-V2699 VanDerWaalsContact C-N 3.31Å; C2697-V2699 PolarHBondContact O-N 3.34Å |
| 2700 | R | 27.4 | Very low | 30.3 | Very low | 217 Ų | 217 | 126.1 Ų | 126.1 | 82% | 0.819 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -94.5 | -16 | 178 | -88 | -177.6 | 172.4 | 167.1 | -1.8 | 115.1 | I2702 Y2703 | R2700-I2702 VanDerWaalsContact C-N 3.32Å; R2700-I2702 PolarHBondContact O-N 3.41Å; R2700-Y2703 PolarHBondContact O-N 3.43Å |
| 2701 | A | 28.5 | Very low | 29.5 | Very low | 62 Ų | 62 | 130 Ų | 130 | 51% | 0.512 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -70.9 | -26.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y2703 F2704 | A2701-Y2703 PolarHBondContact O-N 3.36Å; A2701-F2704 PolarHBondContact O-N 2.96Å |
| 2702 | I | 29.6 | Very low | 29 | Very low | 133 Ų | 133 | 130.2 Ų | 130.2 | 68% | 0.682 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -18.6 | 179.8 | -61.4 | 176 | 0 | 0 | 0 | 112.1 | R2700 | R2700-I2702 VanDerWaalsContact C-N 3.32Å; R2700-I2702 PolarHBondContact O-N 3.41Å |
| 2703 | Y | 27.6 | Very low | 28.6 | Very low | 201 Ų | 201 | 133.5 Ų | 133.5 | 79% | 0.788 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -7.4 | 179 | -85.4 | -78.7 | 0 | 0 | 0 | 115.4 | R2700 A2701 | R2700-Y2703 PolarHBondContact O-N 3.43Å; A2701-Y2703 PolarHBondContact O-N 3.36Å |
| 2704 | F | 26.8 | Very low | 28.3 | Very low | 163 Ų | 163 | 138.7 Ų | 138.7 | 72% | 0.715 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | -20.4 | 177.5 | -120.4 | -89.1 | 0 | 0 | 0 | 114.3 | A2701 K2706 S2707 | A2701-F2704 PolarHBondContact O-N 2.96Å; F2704-K2706 PolarHBondContact O-N 2.96Å; F2704-K2706 VanDerWaalsContact O-N 3.14Å; F2704-S2707 PolarHBondContact O-N 2.92Å; F2704-S2707 PolarHBondContact O-OG 3.36Å; F2704-S2707 VanDerWaalsContact O-OG 3.13Å |
| 2705 | C | 28.1 | Very low | 28.2 | Very low | 117 Ų | 117 | 138.8 Ų | 138.8 | 79% | 0.791 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 2.3 | 176.9 | -72.3 | 0 | 0 | 0 | 0 | 115.2 | ||
| 2706 | K | 28.3 | Very low | 28.1 | Very low | 185 Ų | 185 | 139.9 Ų | 139.9 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | 5.2 | 174.2 | -82.6 | -170.9 | 173.2 | -176.4 | 0 | 115 | F2704 | F2704-K2706 PolarHBondContact O-N 2.96Å; F2704-K2706 VanDerWaalsContact O-N 3.14Å |
| 2707 | S | 30.4 | Very low | 27.8 | Very low | 65 Ų | 65 | 140.4 Ų | 140.4 | 46% | 0.455 | 74% | 0.741 | S | S | . | * | S | Bend | trans | -106.2 | 3.2 | -178.9 | 62.3 | 0 | 0 | 0 | 0 | 115.1 | F2704 | F2704-S2707 PolarHBondContact O-N 2.92Å; F2704-S2707 PolarHBondContact O-OG 3.36Å; F2704-S2707 VanDerWaalsContact O-OG 3.13Å |
| 2708 | F | 26.6 | Very low | 27.8 | Very low | 191 Ų | 191 | 142 Ų | 142 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -97.9 | -4.8 | 176.7 | -123.4 | -92.4 | 0 | 0 | 0 | 114.6 | T2710 | F2708-T2710 PolarHBondContact O-N 3.48Š|
| 2709 | D | 27 | Very low | 27.5 | Very low | 154 Ų | 154 | 144.2 Ų | 144.2 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | 11.7 | -179.6 | -98.5 | -11.6 | 0 | 0 | 0 | 114.5 | ||
| 2710 | T | 28.9 | Very low | 27.4 | Very low | 113 Ų | 113 | 145.2 Ų | 145.2 | 69% | 0.693 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124 | 13.5 | -174.5 | 22.3 | 0 | 0 | 0 | 0 | 116 | F2708 | F2708-T2710 PolarHBondContact O-N 3.48Š|
| 2711 | F | 26.1 | Very low | 27.3 | Very low | 204 Ų | 204 | 142.4 Ų | 142.4 | 90% | 0.895 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -113.6 | 11 | 178.1 | -122.1 | -90.7 | 0 | 0 | 0 | 116.1 | ||
| 2712 | C | 26.1 | Very low | 27.2 | Very low | 125 Ų | 125 | 146.6 Ų | 146.6 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -112.7 | 37.5 | 177.2 | -68 | 0 | 0 | 0 | 0 | 113.5 | ||
| 2713 | H | 24.7 | Very low | 26.8 | Very low | 175 Ų | 175 | 149 Ų | 149 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -132 | 91 | 168.4 | -85.7 | -62.7 | 0 | 0 | 0 | 109.3 | ||||
| 2714 | L | 28.3 | Very low | 26.7 | Very low | 172 Ų | 172 | 150 Ų | 150 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | trans | 173.2 | 93.9 | 154 | -95.5 | 148.6 | 0 | 0 | 0 | 108.6 | ||||
| 2715 | V | 28.6 | Very low | 26.4 | Very low | 139 Ų | 139 | 153.4 Ų | 153.4 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | 169.1 | 128.5 | 128.2 | 167.6 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 2716 | P | 27.5 | Very low | 26.3 | Very low | 113 Ų | 113 | 158 Ų | 158 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -93.6 | 160.9 | -157.4 | 37.2 | -32.4 | 0 | 0 | 0 | 113.8 | ||||
| 2717 | T | 22.7 | Very low | 26 | Very low | 120 Ų | 120 | 156 Ų | 156 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | trans | -50.7 | 150.2 | 170.4 | 43.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 2718 | P | 29.3 | Very low | 25.8 | Very low | 124 Ų | 124 | 164 Ų | 164 | 81% | 0.805 | 82% | 0.819 | S | S | * | * | -127.3 | 123.8 | 126.8 | 32.6 | -21.8 | 0 | 0 | 0 | 111.2 | |||||
| 2719 | N | 23.6 | Very low | 25.6 | Very low | 145 Ų | 145 | 158.4 Ų | 158.4 | 78% | 0.775 | 81% | 0.808 | S | S | * | * | trans | -60.2 | 127.3 | 167.1 | -70.7 | -38.7 | 0 | 0 | 0 | 110.8 | ||||
| 2720 | V | 29.9 | Very low | 25.5 | Very low | 132 Ų | 132 | 158.3 Ų | 158.3 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | trans | -141.4 | 109.5 | 140.6 | -178.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 2721 | L | 24.1 | Very low | 25.4 | Very low | 158 Ų | 158 | 161 Ų | 161 | 83% | 0.827 | 82% | 0.817 | S | S | * | * | trans | -61.2 | 129.7 | 164.2 | -78.2 | 146.4 | 0 | 0 | 0 | 109.9 | ||||
| 2722 | L | 26.5 | Very low | 25.4 | Very low | 150 Ų | 150 | 157.3 Ų | 157.3 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | trans | -153.9 | 98.2 | 151.5 | -106.6 | 157 | 0 | 0 | 0 | 108.6 | R2724 | L2722-R2724 PolarHBondContact O-N 3.08Š| ||
| 2723 | E | 22.2 | Very low | 25.4 | Very low | 184 Ų | 184 | 160.4 Ų | 160.4 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -56.5 | 127.7 | 160 | -69.1 | 176.7 | 135.2 | 0 | 0 | 109.4 | ||||
| 2724 | R | 24.9 | Very low | 25.4 | Very low | 222 Ų | 222 | 160.7 Ų | 160.7 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | trans | -158 | 101.5 | 150 | -107.2 | 169 | -159.6 | -162.8 | 5.2 | 109.2 | L2722 | L2722-R2724 PolarHBondContact O-N 3.08Š| ||
| 2725 | R | 20 | Very low | 25.3 | Very low | 234 Ų | 234 | 162 Ų | 162 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | trans | -57.9 | 125.3 | 160.7 | -73.2 | 176.9 | 176 | 171.2 | -2.1 | 109.1 | ||||
| 2726 | Y | 26.8 | Very low | 25.1 | Very low | 214 Ų | 214 | 161.4 Ų | 161.4 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | trans | -145.1 | 100.5 | 149.9 | -91.9 | -78.5 | 0 | 0 | 0 | 107.7 | ||||
| 2727 | D | 21.2 | Very low | 24.8 | Very low | 143 Ų | 143 | 163.2 Ų | 163.2 | 77% | 0.765 | 81% | 0.813 | S | S | * | * | trans | -69.9 | 124.1 | 155.3 | -67 | -53.2 | 0 | 0 | 0 | 107.4 | ||||
| 2728 | Y | 26.1 | Very low | 24.9 | Very low | 232 Ų | 232 | 165 Ų | 165 | 91% | 0.91 | 82% | 0.817 | S | S | * | * | trans | -169 | 115 | 143.6 | -109 | -76.4 | 0 | 0 | 0 | 110.2 | ||||
| 2729 | A | 23.7 | Very low | 24.6 | Very low | 74 Ų | 74 | 164.4 Ų | 164.4 | 61% | 0.612 | 81% | 0.811 | S | S | * | * | trans | 12.1 | 144.6 | 145.3 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 2730 | D | 25.1 | Very low | 24.6 | Very low | 151 Ų | 151 | 165.2 Ų | 165.2 | 81% | 0.807 | 81% | 0.814 | S | S | * | * | trans | 72.3 | 77.4 | 146.9 | -58 | -22.7 | 0 | 0 | 0 | 118.7 | ||||
| 2731 | L | 25 | Very low | 24.3 | Very low | 171 Ų | 171 | 164.4 Ų | 164.4 | 90% | 0.895 | 81% | 0.811 | S | S | * | * | trans | -113.8 | 99.9 | 152.8 | -94.4 | 153.3 | 0 | 0 | 0 | 109.6 | E2733 | L2731-E2733 PolarHBondContact O-N 3.43Š| ||
| 2732 | T | 26.4 | Very low | 24.2 | Very low | 126 Ų | 126 | 161 Ų | 161 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -56.3 | 109.5 | 164.8 | 37.3 | 0 | 0 | 0 | 0 | 109.6 | Q2734 | T2732-Q2734 PolarHBondContact O-N 3.07Š| ||
| 2733 | E | 26.3 | Very low | 24.2 | Very low | 190 Ų | 190 | 161.3 Ų | 161.3 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | trans | -65.6 | 96.9 | 174.2 | -74.8 | -175.1 | 156.9 | 0 | 0 | 110.5 | L2731 K2735 | L2731-E2733 PolarHBondContact O-N 3.43Å; E2733-K2735 PolarHBondContact O-N 3.44Å | ||
| 2734 | Q | 25.8 | Very low | 24.4 | Very low | 180 Ų | 180 | 159.5 Ų | 159.5 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | trans | -65.3 | 111.2 | 155.9 | -75.3 | -175.8 | -14.6 | 0 | 0 | 108.2 | T2732 V2736 | T2732-Q2734 PolarHBondContact O-N 3.07Å; Q2734-V2736 PolarHBondContact O-N 3.48Å | ||
| 2735 | K | 26 | Very low | 24.2 | Very low | 201 Ų | 201 | 159.1 Ų | 159.1 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | trans | -51.3 | 107.8 | 172.3 | -77.3 | 176.1 | 174.4 | 174.6 | 0 | 110.3 | E2733 L2737 | E2733-K2735 PolarHBondContact O-N 3.44Å; K2735-L2737 PolarHBondContact O-N 2.77Å | ||
| 2736 | V | 24.2 | Very low | 24.7 | Very low | 125 Ų | 125 | 153.9 Ų | 153.9 | 76% | 0.758 | 81% | 0.809 | S | S | * | * | trans | -64.6 | 116.7 | 169.4 | 173.5 | 0 | 0 | 0 | 0 | 108.8 | Q2734 L2738 | Q2734-V2736 PolarHBondContact O-N 3.48Å; V2736-L2738 PolarHBondContact O-N 2.97Å; V2736-L2738 VanDerWaalsContact O-N 3.07Å | ||
| 2737 | L | 21.9 | Very low | 24.7 | Very low | 152 Ų | 152 | 153.4 Ų | 153.4 | 80% | 0.796 | 81% | 0.811 | S | S | * | * | trans | -61.4 | 95.3 | 170.1 | -130.8 | 106.6 | 0 | 0 | 0 | 108.9 | K2735 V2739 | K2735-L2737 PolarHBondContact O-N 2.77Å; L2737-V2739 HydrophobicContact CD2-CG2 4.18Å; L2737-V2739 PolarHBondContact O-N 3.17Å | ||
| 2738 | L | 23.6 | Very low | 25 | Very low | 157 Ų | 157 | 149.4 Ų | 149.4 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | -85 | 94 | 167.3 | -96 | 157.8 | 0 | 0 | 0 | 109 | V2736 L2740 | V2736-L2738 PolarHBondContact O-N 2.97Å; V2736-L2738 VanDerWaalsContact O-N 3.07Å; L2738-L2740 PolarHBondContact O-N 2.92Å; L2738-L2740 VanDerWaalsContact O-N 3.16Å | ||
| 2739 | V | 22.9 | Very low | 25 | Very low | 111 Ų | 111 | 147 Ų | 147 | 67% | 0.673 | 80% | 0.801 | S | S | * | * | trans | -58.6 | 102.7 | 169.1 | 177.4 | 0 | 0 | 0 | 0 | 108.9 | L2737 | L2737-V2739 HydrophobicContact CD2-CG2 4.18Å; L2737-V2739 PolarHBondContact O-N 3.17Å | ||
| 2740 | L | 22.9 | Very low | 25.5 | Very low | 163 Ų | 163 | 147.8 Ų | 147.8 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 121.9 | 160.6 | -82.7 | 166.4 | 0 | 0 | 0 | 108.2 | L2738 | L2738-L2740 PolarHBondContact O-N 2.92Å; L2738-L2740 VanDerWaalsContact O-N 3.16Å |
| 2741 | P | 24.9 | Very low | 25.9 | Very low | 114 Ų | 114 | 145.8 Ų | 145.8 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 137.6 | -170.9 | 28.6 | -32.7 | 0 | 0 | 0 | 111.8 | N2743 | P2741-N2743 PolarHBondContact O-N 3.07Š|
| 2742 | A | 21.9 | Very low | 26.3 | Very low | 87 Ų | 87 | 142.2 Ų | 142.2 | 72% | 0.719 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 124.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 2743 | N | 25.8 | Very low | 26.7 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | 175.1 | 91 | 144.8 | -92.3 | -20.3 | 0 | 0 | 0 | 110.8 | P2741 | P2741-N2743 PolarHBondContact O-N 3.07Š| ||
| 2744 | T | 26 | Very low | 27.1 | Very low | 146 Ų | 146 | 141.8 Ų | 141.8 | 90% | 0.896 | 77% | 0.771 | S | S | * | * | trans | -178.5 | 71.3 | 137 | 29.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 2745 | F | 22.7 | Very low | 27.5 | Very low | 214 Ų | 214 | 140 Ų | 140 | 94% | 0.939 | 76% | 0.76 | S | S | * | * | trans | -113.7 | 94.4 | 164 | -102.4 | -87 | 0 | 0 | 0 | 106.6 | ||||
| 2746 | V | 28.8 | Very low | 27.8 | Very low | 125 Ų | 125 | 135.9 Ų | 135.9 | 76% | 0.758 | 74% | 0.744 | S | S | * | * | trans | -147.3 | 124.4 | 168.9 | 177.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 2747 | K | 27.1 | Very low | 28.4 | Very low | 203 Ų | 203 | 136.3 Ų | 136.3 | 88% | 0.883 | 74% | 0.738 | S | S | * | * | trans | 85 | 79.7 | 163.2 | -71.3 | 163.2 | -173.1 | -174.9 | 0 | 118.3 | ||||
| 2748 | G | 27.3 | Very low | 29.2 | Very low | 60 Ų | 60 | 133.7 Ų | 133.7 | 62% | 0.619 | 72% | 0.724 | S | S | * | * | trans | -136.5 | 8.5 | 160.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | A2750 | G2748-A2750 PolarHBondContact O-N 3.07Š| ||
| 2749 | E | 27.7 | Very low | 29.7 | Very low | 182 Ų | 182 | 130.4 Ų | 130.4 | 85% | 0.85 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | 2.1 | -169.6 | -78.9 | 180 | 156.9 | 0 | 0 | 116 | ||
| 2750 | A | 32.5 | Very low | 30.2 | Very low | 90 Ų | 90 | 134 Ų | 134 | 74% | 0.744 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 0.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | G2748 | G2748-A2750 PolarHBondContact O-N 3.07Š|
| 2751 | T | 34.7 | Very low | 31.1 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 66% | 0.663 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | -17.3 | -175.8 | 45.1 | 0 | 0 | 0 | 0 | 115 | ||
| 2752 | V | 32.9 | Very low | 31.7 | Very low | 97 Ų | 97 | 132 Ų | 132 | 59% | 0.588 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -80.5 | -43 | -178.8 | -178.9 | 0 | 0 | 0 | 0 | 111.4 | R2754 F2755 E2756 | V2752-R2754 PolarHBondContact O-N 2.99Å; V2752-F2755 PolarHBondContact O-N 3.11Å; V2752-E2756 PolarHBondContact O-N 3.32Å |
| 2753 | D | 34.6 | Very low | 32.4 | Very low | 113 Ų | 113 | 132.5 Ų | 132.5 | 60% | 0.604 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -62.8 | -32.1 | 179.3 | -76.3 | -11.7 | 0 | 0 | 0 | 113 | F2755 Q2757 | D2753-F2755 VanDerWaalsContact C-N 3.32Å; D2753-F2755 PolarHBondContact O-N 2.97Å; D2753-Q2757 PolarHBondContact O-N 2.99Å; D2753-Q2757 VanDerWaalsContact O-N 3.11Å |
| 2754 | R | 34.9 | Very low | 32.8 | Very low | 194 Ų | 194 | 134.5 Ų | 134.5 | 73% | 0.732 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -73.8 | -26.1 | 177.7 | -139.6 | 176.6 | -170.2 | 179.4 | 3.1 | 112.5 | V2752 L2758 | V2752-R2754 PolarHBondContact O-N 2.99Å; R2754-L2758 WeakPolarHBondContact O-CD1 3.47Å; R2754-L2758 PolarHBondContact O-N 3.41Å |
| 2755 | F | 33.8 | Very low | 33.3 | Very low | 142 Ų | 142 | 130.8 Ų | 130.8 | 62% | 0.623 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -82.6 | -36.2 | 177.6 | -150.5 | -93.3 | 0 | 0 | 0 | 111.6 | V2752 D2753 L2758 L2759 | V2752-F2755 PolarHBondContact O-N 3.11Å; D2753-F2755 VanDerWaalsContact C-N 3.32Å; D2753-F2755 PolarHBondContact O-N 2.97Å; F2755-L2758 PolarHBondContact O-N 3.5Å; F2755-L2759 HydrophobicContact CD1-CD1 3.91Å; F2755-L2759 HydrophobicContact CE1-CD1 4.01Å; F2755-L2759 PolarHBondContact O-N 3.28Å; F2755-L2759 VanDerWaalsContact O-N 3.13Å |
| 2756 | E | 32.4 | Very low | 33.8 | Very low | 114 Ų | 114 | 124.6 Ų | 124.6 | 53% | 0.533 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -67.8 | -37.8 | 173.9 | -107.8 | -162.7 | 149.5 | 0 | 0 | 112.8 | V2752 L2759 R2760 | V2752-E2756 PolarHBondContact O-N 3.32Å; E2756-L2759 PolarHBondContact O-N 3.13Å; E2756-R2760 PolarHBondContact O-N 3.05Å |
| 2757 | Q | 37.7 | Very low | 33.9 | Very low | 134 Ų | 134 | 126 Ų | 126 | 63% | 0.626 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63.8 | -41.6 | 173.6 | -101.2 | -177.9 | -16.7 | 0 | 0 | 112.4 | D2753 L2759 R2760 E2761 | D2753-Q2757 PolarHBondContact O-N 2.99Å; D2753-Q2757 VanDerWaalsContact O-N 3.11Å; Q2757-L2759 VanDerWaalsContact C-N 3.3Å; Q2757-L2759 PolarHBondContact O-N 2.8Å; Q2757-R2760 PolarHBondContact O-N 2.96Å; Q2757-E2761 PolarHBondContact O-N 2.54Å |
| 2758 | L | 37.5 | Very low | 34.3 | Very low | 98 Ų | 98 | 122.1 Ų | 122.1 | 51% | 0.513 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65.8 | -31.2 | 177.3 | -85.3 | 164.8 | 0 | 0 | 0 | 113 | R2754 F2755 N2762 | R2754-L2758 WeakPolarHBondContact O-CD1 3.47Å; R2754-L2758 PolarHBondContact O-N 3.41Å; F2755-L2758 PolarHBondContact O-N 3.5Å; L2758-N2762 PolarHBondContact O-N 3.19Å; L2758-N2762 PolarHBondContact O-ND2 2.95Å |
| 2759 | L | 34.1 | Very low | 34.5 | Very low | 87 Ų | 87 | 122.3 Ų | 122.3 | 46% | 0.455 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -73.2 | -40.4 | 174.1 | -86.6 | 161.7 | 0 | 0 | 0 | 112 | F2755 E2756 Q2757 I2763 | F2755-L2759 HydrophobicContact CD1-CD1 3.91Å; F2755-L2759 HydrophobicContact CE1-CD1 4.01Å; F2755-L2759 PolarHBondContact O-N 3.28Å; F2755-L2759 VanDerWaalsContact O-N 3.13Å; E2756-L2759 PolarHBondContact O-N 3.13Å; Q2757-L2759 VanDerWaalsContact C-N 3.3Å; Q2757-L2759 PolarHBondContact O-N 2.8Å; L2759-I2763 WeakPolarHBondContact O-CB 3.49Å; L2759-I2763 WeakPolarHBondContact O-CD1 3.39Å; L2759-I2763 VanDerWaalsContact O-CG1 3.24Å; L2759-I2763 WeakPolarHBondContact O-CG1 3.37Å; L2759-I2763 PolarHBondContact O-N 3.3Å; L2759-I2763 VanDerWaalsContact O-N 3.08Å |
| 2760 | R | 35 | Very low | 34.6 | Very low | 186 Ų | 186 | 121.2 Ų | 121.2 | 70% | 0.702 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -66.5 | -37.9 | 177.1 | -81.5 | -171.2 | -172.7 | -168 | 4.5 | 113 | E2756 Q2757 R2764 | E2756-R2760 PolarHBondContact O-N 3.05Å; Q2757-R2760 PolarHBondContact O-N 2.96Å; R2760-R2764 PolarHBondContact O-N 3.42Å |
| 2761 | E | 40.2 | Very low | 34.4 | Very low | 137 Ų | 137 | 124.7 Ų | 124.7 | 64% | 0.64 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -71.2 | -38.8 | 179.3 | -73.9 | -173 | 164.7 | 0 | 0 | 112.4 | Q2757 R2764 S2765 | Q2757-E2761 PolarHBondContact O-N 2.54Å; E2761-R2764 PolarHBondContact O-N 3.12Å; E2761-S2765 PolarHBondContact O-N 3.3Å |
| 2762 | N | 39 | Very low | 34.2 | Very low | 98 Ų | 98 | 123.9 Ų | 123.9 | 52% | 0.524 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -73.4 | -30.6 | 177.8 | -76 | -52.1 | 0 | 0 | 0 | 113.4 | L2758 S2765 V2766 | L2758-N2762 PolarHBondContact O-N 3.19Å; L2758-N2762 PolarHBondContact O-ND2 2.95Å; N2762-S2765 PolarHBondContact O-OG 3.26Å; N2762-S2765 VanDerWaalsContact O-OG 3.07Å; N2762-V2766 WeakPolarHBondContact O-CG2 3.41Å; N2762-V2766 PolarHBondContact O-N 3.29Å |
| 2763 | I | 35.2 | Very low | 34 | Very low | 98 Ų | 98 | 128 Ų | 128 | 50% | 0.503 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -72.8 | -32.9 | 176.8 | -67.6 | 168.7 | 0 | 0 | 0 | 111 | L2759 V2766 F2767 | L2759-I2763 WeakPolarHBondContact O-CB 3.49Å; L2759-I2763 WeakPolarHBondContact O-CD1 3.39Å; L2759-I2763 VanDerWaalsContact O-CG1 3.24Å; L2759-I2763 WeakPolarHBondContact O-CG1 3.37Å; L2759-I2763 PolarHBondContact O-N 3.3Å; L2759-I2763 VanDerWaalsContact O-N 3.08Å; I2763-V2766 PolarHBondContact O-N 3.06Å; I2763-F2767 HydrophobicContact CG2-CD2 4.17Å; I2763-F2767 PolarHBondContact O-N 3.46Å; I2763-F2767 VanDerWaalsContact O-N 3.15Å |
| 2764 | R | 34.7 | Very low | 33.5 | Very low | 198 Ų | 198 | 132.8 Ų | 132.8 | 75% | 0.747 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.3 | -35.5 | 174.1 | -96.2 | -176.9 | 171.7 | 170.6 | -2.2 | 113.3 | R2760 E2761 V2766 F2767 L2768 | R2760-R2764 PolarHBondContact O-N 3.42Å; E2761-R2764 PolarHBondContact O-N 3.12Å; R2764-V2766 VanDerWaalsContact C-N 3.32Å; R2764-V2766 PolarHBondContact O-N 3.3Å; R2764-F2767 PolarHBondContact O-N 3.21Å; R2764-L2768 PolarHBondContact O-N 3.5Å; R2764-L2768 VanDerWaalsContact O-N 3.1Å |
| 2765 | S | 35.7 | Very low | 33.2 | Very low | 68 Ų | 68 | 131.8 Ų | 131.8 | 48% | 0.476 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -70.4 | -29.7 | 177 | 71.9 | 0 | 0 | 0 | 0 | 112.6 | E2761 N2762 S2769 | E2761-S2765 PolarHBondContact O-N 3.3Å; N2762-S2765 PolarHBondContact O-OG 3.26Å; N2762-S2765 VanDerWaalsContact O-OG 3.07Å; S2765-S2769 PolarHBondContact O-N 3.18Å |
| 2766 | V | 33.6 | Very low | 33 | Very low | 84 Ų | 84 | 132 Ų | 132 | 51% | 0.509 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -73.9 | -39.9 | 176 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | N2762 I2763 R2764 S2769 | N2762-V2766 WeakPolarHBondContact O-CG2 3.41Å; N2762-V2766 PolarHBondContact O-N 3.29Å; I2763-V2766 PolarHBondContact O-N 3.06Å; R2764-V2766 VanDerWaalsContact C-N 3.32Å; R2764-V2766 PolarHBondContact O-N 3.3Å; V2766-S2769 PolarHBondContact O-N 3.25Å; V2766-S2769 PolarHBondContact O-OG 3.4Å |
| 2767 | F | 30.4 | Very low | 32.7 | Very low | 154 Ų | 154 | 134.6 Ų | 134.6 | 68% | 0.675 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -70.9 | -36.4 | 178.8 | -96.7 | -86.5 | 0 | 0 | 0 | 113.7 | I2763 R2764 S2769 F2770 | I2763-F2767 HydrophobicContact CG2-CD2 4.17Å; I2763-F2767 PolarHBondContact O-N 3.46Å; I2763-F2767 VanDerWaalsContact O-N 3.15Å; R2764-F2767 PolarHBondContact O-N 3.21Å; F2767-S2769 PolarHBondContact O-N 2.89Å; F2767-F2770 PolarHBondContact O-N 3.42Å |
| 2768 | L | 35.6 | Very low | 32.2 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 64% | 0.644 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -68.9 | -18.8 | 175.2 | -79.8 | 161.5 | 0 | 0 | 0 | 113.3 | R2764 | R2764-L2768 PolarHBondContact O-N 3.5Å; R2764-L2768 VanDerWaalsContact O-N 3.1Å |
| 2769 | S | 32.3 | Very low | 31.9 | Very low | 64 Ų | 64 | 136 Ų | 136 | 45% | 0.448 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -76.9 | -21.7 | 174.2 | 72.5 | 0 | 0 | 0 | 0 | 113.6 | S2765 V2766 F2767 S2772 | S2765-S2769 PolarHBondContact O-N 3.18Å; V2766-S2769 PolarHBondContact O-N 3.25Å; V2766-S2769 PolarHBondContact O-OG 3.4Å; F2767-S2769 PolarHBondContact O-N 2.89Å; S2769-S2772 PolarHBondContact O-OG 3.05Å |
| 2770 | F | 28.8 | Very low | 31.7 | Very low | 159 Ų | 159 | 137.8 Ų | 137.8 | 70% | 0.697 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -86.8 | -23.4 | -178.4 | -98.1 | -85.6 | 0 | 0 | 0 | 114.3 | F2767 S2772 | F2767-F2770 PolarHBondContact O-N 3.42Å; F2770-S2772 VanDerWaalsContact C-N 3.29Å; F2770-S2772 PolarHBondContact O-N 2.9Å |
| 2771 | E | 29.1 | Very low | 31.2 | Very low | 162 Ų | 162 | 139.9 Ų | 139.9 | 76% | 0.757 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -78.6 | -9.4 | 175.8 | -81.4 | -168.4 | 155 | 0 | 0 | 114 | F2773 | E2771-F2773 VanDerWaalsContact C-N 3.34Å; E2771-F2773 PolarHBondContact O-N 3.21Å |
| 2772 | S | 30.5 | Very low | 30.6 | Very low | 92 Ų | 92 | 141 Ų | 141 | 64% | 0.643 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -84.2 | 0.4 | -180 | 69.4 | 0 | 0 | 0 | 0 | 115.4 | S2769 F2770 | S2769-S2772 PolarHBondContact O-OG 3.05Å; F2770-S2772 VanDerWaalsContact C-N 3.29Å; F2770-S2772 PolarHBondContact O-N 2.9Å |
| 2773 | F | 28.3 | Very low | 30.1 | Very low | 183 Ų | 183 | 143.9 Ų | 143.9 | 80% | 0.803 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -107.8 | 8.4 | -176.3 | -102.1 | -81.9 | 0 | 0 | 0 | 115.8 | E2771 | E2771-F2773 VanDerWaalsContact C-N 3.34Å; E2771-F2773 PolarHBondContact O-N 3.21Å |
| 2774 | Y | 25.6 | Very low | 29.9 | Very low | 213 Ų | 213 | 146.2 Ų | 146.2 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -121.7 | 54.8 | 178.7 | -88.5 | -82.6 | 0 | 0 | 0 | 112.4 | ||
| 2775 | M | 28.1 | Very low | 29.6 | Very low | 174 Ų | 174 | 143.4 Ų | 143.4 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | trans | -151.2 | 74.8 | 168 | -78.5 | -64.8 | 175.7 | 0 | 0 | 110.5 | ||||
| 2776 | T | 29.7 | Very low | 29.3 | Very low | 146 Ų | 146 | 147.6 Ų | 147.6 | 90% | 0.896 | 79% | 0.793 | S | S | * | * | trans | -145.4 | 106.8 | 146.3 | 44.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 2777 | E | 25.8 | Very low | 29 | Very low | 168 Ų | 168 | 151.4 Ų | 151.4 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -53.3 | 147.8 | 173.1 | -70.8 | 166.7 | 142.4 | 0 | 0 | 113.2 | ||||
| 2778 | D | 28 | Very low | 28.9 | Very low | 132 Ų | 132 | 151.2 Ų | 151.2 | 71% | 0.706 | 82% | 0.818 | S | S | * | * | 74.2 | 134.5 | 128 | -73.5 | -19.9 | 0 | 0 | 0 | 123.6 | |||||
| 2779 | T | 29.5 | Very low | 28.5 | Very low | 131 Ų | 131 | 153.1 Ų | 153.1 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | trans | 79.6 | 91.5 | 144.6 | 60.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 2780 | S | 30.7 | Very low | 28.2 | Very low | 123 Ų | 123 | 159.4 Ų | 159.4 | 86% | 0.86 | 86% | 0.857 | S | S | * | * | trans | -151 | 91.4 | 130.7 | 63.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 2781 | R | 24.4 | Very low | 28.2 | Very low | 230 Ų | 230 | 159.5 Ų | 159.5 | 87% | 0.868 | 87% | 0.869 | S | S | * | * | trans | -72.6 | 155.5 | 152.5 | -91.3 | -179 | 173 | 169.7 | -2.3 | 108.9 | ||||
| 2782 | D | 26.9 | Very low | 28.1 | Very low | 162 Ų | 162 | 159.3 Ų | 159.3 | 87% | 0.866 | 88% | 0.878 | S | S | * | * | trans | 84.7 | 120.2 | 161.3 | -54.7 | -26.4 | 0 | 0 | 0 | 118.4 | ||||
| 2783 | G | 29.7 | Very low | 27.9 | Very low | 157 Ų | 157 | 165.4 Ų | 165.4 | 100% | 1.619 | 90% | 0.9 | S | S | * | * | trans | 157.8 | 0 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 |
Retrieved 2,783 of 2,783 residues in 7683.1 ms
(Link to these results)