| 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 | 51.7 | Low | 64.4 | Low | 69 Ų | 69 | 84.2 Ų | 84.2 | 34% | 0.34 | 52% | 0.521 | S | S | . | . | 0 | -26.1 | 0 | -73 | -129.5 | -167.1 | 0 | 0 | 114 | F3 F12 L31 H34 | M1-F3 PolarHBondContact O-N 3.26Å; M1-F12 HydrophobicContact CE-CB 4.36Å; M1-F12 HydrophobicContact CE-CD1 3.65Å; M1-F12 HydrophobicContact CE-CD2 3.26Å; M1-F12 HydrophobicContact CE-CE1 3.67Å; M1-F12 HydrophobicContact CE-CE2 3.26Å; M1-F12 HydrophobicContact CE-CG 3.46Å; M1-F12 VanDerWaalsContact CE-CG 3.46Å; M1-F12 HydrophobicContact CE-CZ 3.47Å; M1-F12 VanDerWaalsContact CE-CZ 3.47Å; M1-L31 HydrophobicContact CB-CD2 3.77Å; M1-L31 HydrophobicContact CE-CD2 4.14Å; M1-L31 HydrophobicContact CG-CD2 3.61Å; M1-L31 HydrophobicContact SD-CD2 3.66Å; M1-H34 HydrophobicContact CE-CB 4.11Å; M1-H34 HydrophobicContact SD-CB 3.96Å; M1-H34 PolarHBondContact SD-CD2 2.96Å | |||
| 2 | G | 43.5 | Very low | 65.9 | Low | 54 Ų | 54 | 79.1 Ų | 79.1 | 56% | 0.557 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 138.3 | 158.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 3 | F | 50.3 | Low | 67.1 | Low | 203 Ų | 203 | 76.8 Ų | 76.8 | 89% | 0.89 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | 13.9 | 176 | -53.2 | -72.3 | 0 | 0 | 0 | 120.4 | M1 E5 | M1-F3 PolarHBondContact O-N 3.26Å; F3-E5 PolarHBondContact O-N 2.85Å |
| 4 | G | 53.3 | Low | 67.7 | Low | 51 Ų | 51 | 80.8 Ų | 80.8 | 53% | 0.526 | 48% | 0.481 | S | S | . | . | trans | 59.7 | 18.4 | 150.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | T6 | G4-T6 PolarHBondContact O-N 2.78Š| ||
| 5 | E | 64 | Low | 68.4 | Low | 124 Ų | 124 | 77.5 Ų | 77.5 | 58% | 0.579 | 47% | 0.466 | S | S | * | . | trans | -62 | 124.8 | -179.9 | -66.4 | 180 | 157.6 | 0 | 0 | 111.6 | F3 S7 T8 L9 | F3-E5 PolarHBondContact O-N 2.85Å; E5-S7 VanDerWaalsContact C-N 3.29Å; E5-S7 PolarHBondContact O-N 2.95Å; E5-T8 PolarHBondContact O-N 2.91Å; E5-T8 VanDerWaalsContact O-N 3.16Å; E5-L9 PolarHBondContact O-N 2.67Å | ||
| 6 | T | 65.7 | Low | 68.7 | Low | 126 Ų | 126 | 79.9 Ų | 79.9 | 77% | 0.773 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.3 | -31.8 | -175.6 | 25.1 | 0 | 0 | 0 | 0 | 113.5 | G4 G10 | G4-T6 PolarHBondContact O-N 2.78Å; T6-G10 PolarHBondContact O-N 3.21Å |
| 7 | S | 72.1 | Confident | 69.5 | Low | 81 Ų | 81 | 77.4 Ų | 77.4 | 57% | 0.566 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63 | -49.2 | 173 | 49.1 | 0 | 0 | 0 | 0 | 111.8 | E5 L9 G10 S11 | E5-S7 VanDerWaalsContact C-N 3.29Å; E5-S7 PolarHBondContact O-N 2.95Å; S7-L9 PolarHBondContact O-N 3.08Å; S7-G10 PolarHBondContact O-N 3.1Å; S7-S11 PolarHBondContact O-N 3.49Å; S7-S11 PolarHBondContact O-OG 2.79Å |
| 8 | T | 75.5 | Confident | 70.4 | Confident | 70 Ų | 70 | 73.6 Ų | 73.6 | 43% | 0.429 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.3 | -39.3 | 179 | -62.8 | 0 | 0 | 0 | 0 | 111.6 | E5 F12 | E5-T8 PolarHBondContact O-N 2.91Å; E5-T8 VanDerWaalsContact O-N 3.16Å; T8-F12 WeakPolarHBondContact O-CB 3.49Å; T8-F12 PolarHBondContact O-N 3.27Å |
| 9 | L | 79.2 | Confident | 71.4 | Confident | 34 Ų | 34 | 73.2 Ų | 73.2 | 18% | 0.178 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -68.8 | -38.5 | 173.6 | -71.3 | 175.5 | 0 | 0 | 0 | 112.7 | E5 S7 F12 Y13 H34 | E5-L9 PolarHBondContact O-N 2.67Å; S7-L9 PolarHBondContact O-N 3.08Å; L9-F12 PolarHBondContact O-N 3.38Å; L9-Y13 HydrophobicContact CB-CD2 4.45Å; L9-Y13 HydrophobicContact CB-CE2 4.13Å; L9-Y13 VanDerWaalsContact O-CD2 3.22Å; L9-Y13 WeakPolarHBondContact O-CD2 3.49Å; L9-Y13 PolarHBondContact O-N 3.06Å; L9-H34 VanDerWaalsContact CD2-CE1 3.49Å; L9-H34 WeakPolarHBondContact CD2-CE1 3.5Å |
| 10 | G | 73.3 | Confident | 72.2 | Confident | 27 Ų | 27 | 70 Ų | 70 | 28% | 0.278 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -59.7 | -49.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T6 S7 F12 Y13 N14 | T6-G10 PolarHBondContact O-N 3.21Å; S7-G10 PolarHBondContact O-N 3.1Å; G10-F12 VanDerWaalsContact C-N 3.31Å; G10-F12 PolarHBondContact O-N 3.21Å; G10-Y13 PolarHBondContact O-N 3.42Å; G10-N14 WeakPolarHBondContact O-CB 3.26Å; G10-N14 PolarHBondContact O-N 2.98Å; G10-N14 PolarHBondContact O-ND2 2.89Å |
| 11 | S | 80.1 | Confident | 72.9 | Confident | 87 Ų | 87 | 70.2 Ų | 70.2 | 61% | 0.608 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -61.5 | -37.9 | 173.8 | -60.7 | 0 | 0 | 0 | 0 | 112.4 | S7 A15 | S7-S11 PolarHBondContact O-N 3.49Å; S7-S11 PolarHBondContact O-OG 2.79Å; S11-A15 WeakPolarHBondContact O-CB 3.23Å; S11-A15 PolarHBondContact O-N 3.15Å |
| 12 | F | 82.5 | Confident | 74.3 | Confident | 23 Ų | 23 | 67 Ų | 67 | 10% | 0.101 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -68.8 | -39.2 | 178.7 | 180 | -96.6 | 0 | 0 | 0 | 113.3 | M1 T8 L9 G10 V18 V20 H34 L35 R38 | M1-F12 HydrophobicContact CE-CB 4.36Å; M1-F12 HydrophobicContact CE-CD1 3.65Å; M1-F12 HydrophobicContact CE-CD2 3.26Å; M1-F12 HydrophobicContact CE-CE1 3.67Å; M1-F12 HydrophobicContact CE-CE2 3.26Å; M1-F12 HydrophobicContact CE-CG 3.46Å; M1-F12 VanDerWaalsContact CE-CG 3.46Å; M1-F12 HydrophobicContact CE-CZ 3.47Å; M1-F12 VanDerWaalsContact CE-CZ 3.47Å; T8-F12 WeakPolarHBondContact O-CB 3.49Å; T8-F12 PolarHBondContact O-N 3.27Å; L9-F12 PolarHBondContact O-N 3.38Å; G10-F12 VanDerWaalsContact C-N 3.31Å; G10-F12 PolarHBondContact O-N 3.21Å; F12-V18 HydrophobicContact CD2-CB 4.2Å; F12-V18 HydrophobicContact CD2-CG1 3.68Å; F12-V18 HydrophobicContact CE2-CB 3.67Å; F12-V18 HydrophobicContact CE2-CG1 3.6Å; F12-V18 HydrophobicContact CE2-CG2 3.85Å; F12-V18 HydrophobicContact CG-CG1 4.44Å; F12-V18 HydrophobicContact CZ-CB 4.35Å; F12-V18 HydrophobicContact CZ-CG1 4.28Å; F12-V18 HydrophobicContact CZ-CG2 4.05Å; F12-V18 WeakPolarHBondContact O-CG1 3.42Å; F12-V20 HydrophobicContact CE2-CG2 3.73Å; F12-V20 HydrophobicContact CZ-CG2 4.19Å; F12-H34 HydrophobicContact CD1-CB 4.3Å; F12-H34 HydrophobicContact CE1-CB 3.72Å; F12-H34 HydrophobicContact CZ-CB 4.38Å; F12-L35 HydrophobicContact CZ-CD2 4.17Å; F12-R38 HydrophobicContact CD1-CG 4.41Å; F12-R38 HydrophobicContact CE1-CG 3.85Å; F12-R38 HydrophobicContact CZ-CG 4.45Å; F12-R38 WeakPolarHBondContact O-CD 3.04Å; F12-R38 PolarHBondContact O-NH1 2.67Å |
| 13 | Y | 81.4 | Confident | 76.1 | Confident | 49 Ų | 49 | 66.1 Ų | 66.1 | 19% | 0.192 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -77.5 | -31.1 | 178.9 | -63.5 | -42.9 | 0 | 0 | 0 | 113 | L9 G10 H34 V37 R38 | L9-Y13 HydrophobicContact CB-CD2 4.45Å; L9-Y13 HydrophobicContact CB-CE2 4.13Å; L9-Y13 VanDerWaalsContact O-CD2 3.22Å; L9-Y13 WeakPolarHBondContact O-CD2 3.49Å; L9-Y13 PolarHBondContact O-N 3.06Å; G10-Y13 PolarHBondContact O-N 3.42Å; Y13-H34 HydrophobicContact CE1-CB 4.48Å; Y13-H34 AromaticContact CZ-ND1 3.77Å; Y13-H34 PolarHBondContact OH-ND1 3.02Å; Y13-V37 HydrophobicContact CD1-CG1 4.18Å; Y13-V37 HydrophobicContact CE1-CB 3.94Å; Y13-V37 HydrophobicContact CE1-CG1 3.57Å; Y13-R38 HydrophobicContact CD1-CG 3.97Å; Y13-R38 PolarHBondContact O-NH1 3.28Å |
| 14 | N | 75 | Confident | 77.4 | Confident | 133 Ų | 133 | 59.9 Ų | 59.9 | 71% | 0.711 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -90.1 | -7.5 | -177.2 | -65.6 | -16.1 | 0 | 0 | 0 | 114.8 | G10 | G10-N14 WeakPolarHBondContact O-CB 3.26Å; G10-N14 PolarHBondContact O-N 2.98Å; G10-N14 PolarHBondContact O-ND2 2.89Å |
| 15 | A | 78.1 | Confident | 78.3 | Confident | 31 Ų | 31 | 61.7 Ų | 61.7 | 26% | 0.256 | 37% | 0.366 | S | S | . | . | trans | -71.2 | 137.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S11 V17 V18 R38 | S11-A15 WeakPolarHBondContact O-CB 3.23Å; S11-A15 PolarHBondContact O-N 3.15Å; A15-V17 VanDerWaalsContact C-N 3.3Å; A15-V17 PolarHBondContact O-N 2.98Å; A15-V18 HydrophobicContact CB-CG1 3.99Å; A15-R38 VanDerWaalsContact O-CZ 3.23Å; A15-R38 PolarHBondContact O-NH1 3.38Å; A15-R38 PolarHBondContact O-NH2 3.28Å | ||
| 16 | D | 73 | Confident | 78.7 | Confident | 116 Ų | 116 | 63 Ų | 63 | 62% | 0.62 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -65.3 | -35.6 | 177 | -48.7 | -77.4 | 0 | 0 | 0 | 112 | ||
| 17 | V | 82.6 | Confident | 79.2 | Confident | 38 Ų | 38 | 60.8 Ų | 60.8 | 23% | 0.23 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -129.5 | 134.8 | 173 | -173.9 | 0 | 0 | 0 | 0 | 110.1 | A15 I47 L122 V125 | A15-V17 VanDerWaalsContact C-N 3.3Å; A15-V17 PolarHBondContact O-N 2.98Å; V17-I47 HydrophobicContact CG1-CD1 3.91Å; V17-I47 HydrophobicContact CG1-CG1 4.23Å; V17-L122 HydrophobicContact CB-CD2 4.45Å; V17-L122 HydrophobicContact CG1-CD2 3.91Å; V17-V125 HydrophobicContact CG2-CB 3.71Å; V17-V125 HydrophobicContact CG2-CG1 3.51Å; V17-V125 HydrophobicContact CG2-CG2 3.83Å |
| 18 | V | 86.8 | Confident | 79.3 | Confident | 8 Ų | 8 | 58.4 Ų | 58.4 | 5% | 0.048 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 137.3 | 166.2 | -63.2 | 0 | 0 | 0 | 0 | 111 | F12 A15 V20 L35 Y45 N46 I47 | F12-V18 HydrophobicContact CD2-CB 4.2Å; F12-V18 HydrophobicContact CD2-CG1 3.68Å; F12-V18 HydrophobicContact CE2-CB 3.67Å; F12-V18 HydrophobicContact CE2-CG1 3.6Å; F12-V18 HydrophobicContact CE2-CG2 3.85Å; F12-V18 HydrophobicContact CG-CG1 4.44Å; F12-V18 HydrophobicContact CZ-CB 4.35Å; F12-V18 HydrophobicContact CZ-CG1 4.28Å; F12-V18 HydrophobicContact CZ-CG2 4.05Å; F12-V18 WeakPolarHBondContact O-CG1 3.42Å; A15-V18 HydrophobicContact CB-CG1 3.99Å; V18-V20 HydrophobicContact CB-CG2 4.27Å; V18-V20 HydrophobicContact CG2-CG2 4.14Å; V18-L35 HydrophobicContact CG2-CD2 4.11Å; V18-Y45 PolarHBondContact N-O 2.83Å; V18-N46 HydrophobicContact CG2-CB 4.22Å; V18-N46 WeakPolarHBondContact CG2-OD1 3.35Å; V18-I47 PolarHBondContact O-N 3.3Å |
| 19 | V | 89.1 | Confident | 79 | Confident | 66 Ų | 66 | 59.3 Ų | 59.3 | 40% | 0.4 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 114.8 | 171.1 | -176.2 | 0 | 0 | 0 | 0 | 107.3 | I47 L49 I118 | V19-I47 CarbonylContact C-O 3.59Å; V19-I47 WeakPolarHBondContact CA-O 3.4Å; V19-I47 HydrophobicContact CG1-CG2 4.27Å; V19-I47 HydrophobicContact CG2-CB 4.19Å; V19-I47 HydrophobicContact CG2-CD1 4.25Å; V19-L49 HydrophobicContact CG1-CD1 3.57Å; V19-L49 HydrophobicContact CG1-CD2 3.96Å; V19-L49 HydrophobicContact CG1-CG 3.68Å; V19-I118 HydrophobicContact CG1-CD1 4.15Å |
| 20 | V | 87.2 | Confident | 79 | Confident | 10 Ų | 10 | 60.7 Ų | 60.7 | 6% | 0.061 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 115.4 | -172.5 | -175.8 | 0 | 0 | 0 | 0 | 110 | F12 V18 V22 L31 L35 I47 V48 L49 | F12-V20 HydrophobicContact CE2-CG2 3.73Å; F12-V20 HydrophobicContact CZ-CG2 4.19Å; V18-V20 HydrophobicContact CB-CG2 4.27Å; V18-V20 HydrophobicContact CG2-CG2 4.14Å; V20-V22 HydrophobicContact CG1-CG1 3.95Å; V20-L31 HydrophobicContact CG1-CB 4.12Å; V20-L31 HydrophobicContact CG1-CD1 4.03Å; V20-L31 HydrophobicContact CG1-CD2 3.89Å; V20-L31 HydrophobicContact CG1-CG 4.23Å; V20-L35 HydrophobicContact CB-CD1 4.42Å; V20-L35 HydrophobicContact CG1-CD1 4.35Å; V20-L35 HydrophobicContact CG2-CD2 3.92Å; V20-L35 HydrophobicContact CG2-CG 4.41Å; V20-I47 PolarHBondContact N-O 3.33Å; V20-V48 CarbonylContact O-C 3.45Å; V20-V48 WeakPolarHBondContact O-CA 3.37Å; V20-L49 PolarHBondContact O-N 3.04Å |
| 21 | D | 86.8 | Confident | 79.3 | Confident | 74 Ų | 74 | 59.8 Ų | 59.8 | 40% | 0.396 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 114.3 | 172.5 | -178.2 | 2.1 | 0 | 0 | 0 | 110.4 | S23 L31 L49 Y76 | D21-S23 WeakPolarHBondContact OD1-CB 3.31Å; D21-S23 PolarHBondContact OD1-N 3.17Å; D21-S23 PolarHBondContact OD1-OG 2.85Å; D21-L31 WeakPolarHBondContact O-CD1 3.4Å; D21-L49 HydrophobicContact CB-CB 4.31Å; D21-Y76 PolarHBondContact OD2-OH 3.05Å |
| 22 | V | 82 | Confident | 79.2 | Confident | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.012 | 33% | 0.332 | C | S | . | . | trans | -105.3 | 17.8 | -179.6 | -59.1 | 0 | 0 | 0 | 0 | 112.6 | V20 N24 Q28 L31 V48 L49 Y50 F64 | V20-V22 HydrophobicContact CG1-CG1 3.95Å; V22-N24 PolarHBondContact O-N 3.22Å; V22-Q28 HydrophobicContact CB-CG 4.23Å; V22-Q28 VanDerWaalsContact O-CG 3.27Å; V22-Q28 WeakPolarHBondContact O-CG 3.23Å; V22-Q28 PolarHBondContact O-NE2 2.82Å; V22-L31 HydrophobicContact CG1-CB 4.22Å; V22-L31 HydrophobicContact CG1-CD1 4.05Å; V22-V48 HydrophobicContact CB-CG1 4.43Å; V22-V48 HydrophobicContact CG1-CG1 4.06Å; V22-V48 HydrophobicContact CG2-CG1 3.47Å; V22-V48 VanDerWaalsContact CG2-CG1 3.47Å; V22-L49 WeakPolarHBondContact CG2-O 3.41Å; V22-L49 PolarHBondContact N-O 2.8Å; V22-Y50 HydrophobicContact CG2-CD2 4.23Å; V22-F64 HydrophobicContact CB-CE1 4.29Å; V22-F64 HydrophobicContact CB-CZ 4.06Å; V22-F64 HydrophobicContact CG1-CZ 4.34Å; V22-F64 HydrophobicContact CG2-CE1 3.78Å; V22-F64 HydrophobicContact CG2-CZ 4.06Å | ||
| 23 | S | 79.6 | Confident | 79.1 | Confident | 36 Ų | 36 | 64.3 Ų | 64.3 | 25% | 0.252 | 36% | 0.356 | S | S | . | . | trans | -61.1 | -30.2 | 177.6 | -54.2 | 0 | 0 | 0 | 0 | 113.4 | D21 S25 A51 Y76 | D21-S23 WeakPolarHBondContact OD1-CB 3.31Å; D21-S23 PolarHBondContact OD1-N 3.17Å; D21-S23 PolarHBondContact OD1-OG 2.85Å; S23-S25 PolarHBondContact O-N 2.66Å; S23-A51 VanDerWaalsContact OG-CB 3.26Å; S23-A51 WeakPolarHBondContact OG-CB 3.26Å; S23-A51 PolarHBondContact OG-N 2.53Å; S23-Y76 PolarHBondContact OG-OH 3.25Å | ||
| 24 | N | 78.3 | Confident | 79.3 | Confident | 71 Ų | 71 | 62.9 Ų | 62.9 | 38% | 0.38 | 35% | 0.351 | S | S | . | . | trans | -82.7 | 105.4 | 178.9 | -172.1 | -18.5 | 0 | 0 | 0 | 111.4 | V22 L26 Q27 Q28 | V22-N24 PolarHBondContact O-N 3.22Å; N24-L26 PolarHBondContact O-N 3.21Å; N24-L26 VanDerWaalsContact O-N 3.14Å; N24-L26 WeakPolarHBondContact OD1-CB 3.4Å; N24-L26 PolarHBondContact OD1-N 2.95Å; N24-Q27 HydrophobicContact CB-CB 4.46Å; N24-Q27 HydrophobicContact CB-CG 4.38Å; N24-Q27 PolarHBondContact O-N 3.07Å; N24-Q28 PolarHBondContact O-N 3.08Å | ||
| 25 | S | 72.1 | Confident | 79.7 | Confident | 89 Ų | 89 | 56.8 Ų | 56.8 | 62% | 0.622 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -26 | -179.8 | 56.7 | 0 | 0 | 0 | 0 | 114.8 | S23 Q27 | S23-S25 PolarHBondContact O-N 2.66Å; S25-Q27 VanDerWaalsContact C-N 3.32Å; S25-Q27 PolarHBondContact O-N 3.25Å |
| 26 | L | 73.2 | Confident | 79.8 | Confident | 152 Ų | 152 | 56.7 Ų | 56.7 | 80% | 0.796 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -19.8 | 176.7 | -69.6 | 162 | 0 | 0 | 0 | 113.3 | N24 | N24-L26 PolarHBondContact O-N 3.21Å; N24-L26 VanDerWaalsContact O-N 3.14Å; N24-L26 WeakPolarHBondContact OD1-CB 3.4Å; N24-L26 PolarHBondContact OD1-N 2.95Å |
| 27 | Q | 75.7 | Confident | 80.2 | Confident | 80 Ų | 80 | 52.3 Ų | 52.3 | 37% | 0.374 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -13.8 | -177.3 | -59.7 | -173.8 | 4.8 | 0 | 0 | 112.9 | N24 S25 S29 T30 L31 | N24-Q27 HydrophobicContact CB-CB 4.46Å; N24-Q27 HydrophobicContact CB-CG 4.38Å; N24-Q27 PolarHBondContact O-N 3.07Å; S25-Q27 VanDerWaalsContact C-N 3.32Å; S25-Q27 PolarHBondContact O-N 3.25Å; Q27-S29 PolarHBondContact O-N 3.23Å; Q27-T30 PolarHBondContact O-N 3.36Å; Q27-L31 HydrophobicContact CB-CD1 4.02Å; Q27-L31 HydrophobicContact CB-CG 4.35Å; Q27-L31 WeakPolarHBondContact O-CG 3.44Å; Q27-L31 PolarHBondContact O-N 3.47Å |
| 28 | Q | 73.4 | Confident | 80.2 | Confident | 30 Ų | 30 | 50.5 Ų | 50.5 | 14% | 0.14 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -50.2 | -47.5 | -173.7 | -95.7 | -179.1 | 5.3 | 0 | 0 | 114.7 | V22 N24 L31 C32 F64 | V22-Q28 HydrophobicContact CB-CG 4.23Å; V22-Q28 VanDerWaalsContact O-CG 3.27Å; V22-Q28 WeakPolarHBondContact O-CG 3.23Å; V22-Q28 PolarHBondContact O-NE2 2.82Å; N24-Q28 PolarHBondContact O-N 3.08Å; Q28-L31 PolarHBondContact O-N 2.93Å; Q28-C32 WeakPolarHBondContact O-CB 3.4Å; Q28-C32 PolarHBondContact O-N 3.43Å; Q28-C32 PolarHBondContact O-SG 3.17Å; Q28-F64 HydrophobicContact CB-CE2 3.66Å; Q28-F64 HydrophobicContact CB-CZ 4.3Å; Q28-F64 HydrophobicContact CG-CD2 4.24Å; Q28-F64 HydrophobicContact CG-CE2 3.5Å; Q28-F64 VanDerWaalsContact CG-CE2 3.5Å; Q28-F64 HydrophobicContact CG-CZ 3.87Å |
| 29 | S | 70.1 | Confident | 79.7 | Confident | 89 Ų | 89 | 51.9 Ų | 51.9 | 62% | 0.622 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.8 | -47 | -179.8 | 49.4 | 0 | 0 | 0 | 0 | 112.5 | Q27 C32 Y33 | Q27-S29 PolarHBondContact O-N 3.23Å; S29-C32 PolarHBondContact O-N 2.94Å; S29-Y33 PolarHBondContact O-N 2.98Å |
| 30 | T | 78.6 | Confident | 79.1 | Confident | 63 Ų | 63 | 53.3 Ų | 53.3 | 39% | 0.387 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 178.1 | -51.2 | 0 | 0 | 0 | 0 | 111.8 | Q27 Y33 H34 | Q27-T30 PolarHBondContact O-N 3.36Å; T30-Y33 PolarHBondContact O-N 2.93Å; T30-H34 PolarHBondContact O-CD2 3Å; T30-H34 PolarHBondContact O-N 3.02Å |
| 31 | L | 80.3 | Confident | 78.5 | Confident | 9 Ų | 9 | 57.8 Ų | 57.8 | 5% | 0.047 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.6 | -42.3 | 176.9 | -67.4 | 174.5 | 0 | 0 | 0 | 111.7 | M1 V20 D21 V22 Q27 Q28 Y33 H34 L35 | M1-L31 HydrophobicContact CB-CD2 3.77Å; M1-L31 HydrophobicContact CE-CD2 4.14Å; M1-L31 HydrophobicContact CG-CD2 3.61Å; M1-L31 HydrophobicContact SD-CD2 3.66Å; V20-L31 HydrophobicContact CG1-CB 4.12Å; V20-L31 HydrophobicContact CG1-CD1 4.03Å; V20-L31 HydrophobicContact CG1-CD2 3.89Å; V20-L31 HydrophobicContact CG1-CG 4.23Å; D21-L31 WeakPolarHBondContact O-CD1 3.4Å; V22-L31 HydrophobicContact CG1-CB 4.22Å; V22-L31 HydrophobicContact CG1-CD1 4.05Å; Q27-L31 HydrophobicContact CB-CD1 4.02Å; Q27-L31 HydrophobicContact CB-CG 4.35Å; Q27-L31 WeakPolarHBondContact O-CG 3.44Å; Q27-L31 PolarHBondContact O-N 3.47Å; Q28-L31 PolarHBondContact O-N 2.93Å; L31-Y33 VanDerWaalsContact C-N 3.32Å; L31-Y33 PolarHBondContact O-N 2.84Å; L31-H34 PolarHBondContact O-N 3.19Å; L31-L35 WeakPolarHBondContact O-CB 3.3Å; L31-L35 WeakPolarHBondContact O-CG 3.31Å; L31-L35 PolarHBondContact O-N 3.3Å |
| 32 | C | 77.6 | Confident | 77.7 | Confident | 47 Ų | 47 | 60.6 Ų | 60.6 | 32% | 0.318 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.5 | -38.9 | 174.6 | -68.8 | 0 | 0 | 0 | 0 | 112.6 | Q28 S29 L35 G36 F64 | Q28-C32 WeakPolarHBondContact O-CB 3.4Å; Q28-C32 PolarHBondContact O-N 3.43Å; Q28-C32 PolarHBondContact O-SG 3.17Å; S29-C32 PolarHBondContact O-N 2.94Å; C32-L35 PolarHBondContact O-N 2.99Å; C32-G36 PolarHBondContact O-N 2.94Å; C32-F64 VanDerWaalsContact SG-CE2 3.59Å; C32-F64 WeakPolarHBondContact SG-CZ 3.3Å |
| 33 | Y | 81.2 | Confident | 77.4 | Confident | 157 Ų | 157 | 63.5 Ų | 63.5 | 62% | 0.616 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60.6 | -51 | 176.2 | 173.3 | -97.7 | 0 | 0 | 0 | 111.7 | S29 T30 L31 L35 G36 V37 | S29-Y33 PolarHBondContact O-N 2.98Å; T30-Y33 PolarHBondContact O-N 2.93Å; L31-Y33 VanDerWaalsContact C-N 3.32Å; L31-Y33 PolarHBondContact O-N 2.84Å; Y33-L35 VanDerWaalsContact C-N 3.32Å; Y33-L35 PolarHBondContact O-N 2.95Å; Y33-G36 PolarHBondContact O-N 3.04Å; Y33-V37 HydrophobicContact CD1-CG2 4.47Å; Y33-V37 HydrophobicContact CE1-CG2 4.02Å; Y33-V37 HydrophobicContact CE2-CG2 4.4Å; Y33-V37 WeakPolarHBondContact O-CG2 3.47Å; Y33-V37 PolarHBondContact O-N 3.16Å |
| 34 | H | 85.3 | Confident | 77 | Confident | 20 Ų | 20 | 65 Ų | 65 | 9% | 0.093 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.6 | -33 | -179.7 | -68.6 | -64.2 | 0 | 0 | 0 | 113.1 | M1 L9 F12 Y13 T30 L31 V37 R38 | M1-H34 HydrophobicContact CE-CB 4.11Å; M1-H34 HydrophobicContact SD-CB 3.96Å; M1-H34 PolarHBondContact SD-CD2 2.96Å; L9-H34 VanDerWaalsContact CD2-CE1 3.49Å; L9-H34 WeakPolarHBondContact CD2-CE1 3.5Å; F12-H34 HydrophobicContact CD1-CB 4.3Å; F12-H34 HydrophobicContact CE1-CB 3.72Å; F12-H34 HydrophobicContact CZ-CB 4.38Å; Y13-H34 HydrophobicContact CE1-CB 4.48Å; Y13-H34 AromaticContact CZ-ND1 3.77Å; Y13-H34 PolarHBondContact OH-ND1 3.02Å; T30-H34 PolarHBondContact O-CD2 3Å; T30-H34 PolarHBondContact O-N 3.02Å; L31-H34 PolarHBondContact O-N 3.19Å; H34-V37 PolarHBondContact O-N 3.23Å; H34-R38 PolarHBondContact O-N 2.97Å |
| 35 | L | 82.8 | Confident | 77.1 | Confident | 4 Ų | 4 | 65.5 Ų | 65.5 | 2% | 0.021 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.2 | -47.2 | 171.2 | -80.2 | 172.1 | 0 | 0 | 0 | 111.8 | F12 V18 V20 L31 C32 Y33 V37 R38 E39 N46 V48 Y71 | F12-L35 HydrophobicContact CZ-CD2 4.17Å; V18-L35 HydrophobicContact CG2-CD2 4.11Å; V20-L35 HydrophobicContact CB-CD1 4.42Å; V20-L35 HydrophobicContact CG1-CD1 4.35Å; V20-L35 HydrophobicContact CG2-CD2 3.92Å; V20-L35 HydrophobicContact CG2-CG 4.41Å; L31-L35 WeakPolarHBondContact O-CB 3.3Å; L31-L35 WeakPolarHBondContact O-CG 3.31Å; L31-L35 PolarHBondContact O-N 3.3Å; C32-L35 PolarHBondContact O-N 2.99Å; Y33-L35 VanDerWaalsContact C-N 3.32Å; Y33-L35 PolarHBondContact O-N 2.95Å; L35-V37 VanDerWaalsContact C-N 3.29Å; L35-V37 PolarHBondContact O-N 2.97Å; L35-R38 WeakPolarHBondContact O-CB 3.37Å; L35-R38 PolarHBondContact O-N 3.36Å; L35-R38 VanDerWaalsContact O-N 3.07Å; L35-E39 PolarHBondContact O-N 3.39Å; L35-E39 VanDerWaalsContact O-N 3.1Å; L35-N46 HydrophobicContact CD2-CB 3.81Å; L35-V48 HydrophobicContact CD1-CG2 4.13Å; L35-Y71 VanDerWaalsContact C-OH 3.29Å; L35-Y71 HydrophobicContact CB-CE1 3.75Å; L35-Y71 HydrophobicContact CD1-CE1 4.14Å; L35-Y71 HydrophobicContact CD2-CD1 4.48Å; L35-Y71 HydrophobicContact CD2-CE1 3.9Å; L35-Y71 HydrophobicContact CG-CE1 4.13Å; L35-Y71 PolarHBondContact O-OH 3.43Å |
| 36 | G | 79.6 | Confident | 77.6 | Confident | 29 Ų | 29 | 61.3 Ų | 61.3 | 30% | 0.299 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.2 | -31.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | C32 Y33 E39 S40 Y71 | C32-G36 PolarHBondContact O-N 2.94Å; Y33-G36 PolarHBondContact O-N 3.04Å; G36-E39 PolarHBondContact O-N 2.84Å; G36-S40 PolarHBondContact O-N 3.32Å; G36-S40 VanDerWaalsContact O-N 3.1Å; G36-Y71 PolarHBondContact N-OH 2.89Å |
| 37 | V | 81.4 | Confident | 78.2 | Confident | 25 Ų | 25 | 54.2 Ų | 54.2 | 15% | 0.152 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 171.1 | 173.4 | 0 | 0 | 0 | 0 | 111 | Y13 Y33 H34 L35 S40 M41 | Y13-V37 HydrophobicContact CD1-CG1 4.18Å; Y13-V37 HydrophobicContact CE1-CB 3.94Å; Y13-V37 HydrophobicContact CE1-CG1 3.57Å; Y33-V37 HydrophobicContact CD1-CG2 4.47Å; Y33-V37 HydrophobicContact CE1-CG2 4.02Å; Y33-V37 HydrophobicContact CE2-CG2 4.4Å; Y33-V37 WeakPolarHBondContact O-CG2 3.47Å; Y33-V37 PolarHBondContact O-N 3.16Å; H34-V37 PolarHBondContact O-N 3.23Å; L35-V37 VanDerWaalsContact C-N 3.29Å; L35-V37 PolarHBondContact O-N 2.97Å; V37-S40 PolarHBondContact O-N 3.15Å; V37-S40 PolarHBondContact O-OG 3.29Å; V37-M41 HydrophobicContact CG1-CE 3.79Å; V37-M41 PolarHBondContact O-N 3.22Å |
| 38 | R | 84.1 | Confident | 78.7 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.1 | -45.3 | 175 | -78.6 | -179.1 | 58.3 | 84.4 | 3.7 | 111.9 | F12 Y13 A15 H34 L35 S40 M41 N42 Q43 N46 | F12-R38 HydrophobicContact CD1-CG 4.41Å; F12-R38 HydrophobicContact CE1-CG 3.85Å; F12-R38 HydrophobicContact CZ-CG 4.45Å; F12-R38 WeakPolarHBondContact O-CD 3.04Å; F12-R38 PolarHBondContact O-NH1 2.67Å; Y13-R38 HydrophobicContact CD1-CG 3.97Å; Y13-R38 PolarHBondContact O-NH1 3.28Å; A15-R38 VanDerWaalsContact O-CZ 3.23Å; A15-R38 PolarHBondContact O-NH1 3.38Å; A15-R38 PolarHBondContact O-NH2 3.28Å; H34-R38 PolarHBondContact O-N 2.97Å; L35-R38 WeakPolarHBondContact O-CB 3.37Å; L35-R38 PolarHBondContact O-N 3.36Å; L35-R38 VanDerWaalsContact O-N 3.07Å; R38-S40 VanDerWaalsContact C-N 3.27Å; R38-S40 PolarHBondContact O-N 3.49Å; R38-M41 CarbonylContact O-C 3.55Å; R38-M41 WeakPolarHBondContact O-CA 3.25Å; R38-M41 WeakPolarHBondContact O-CB 3.32Å; R38-M41 PolarHBondContact O-N 3.46Å; R38-N42 PolarHBondContact O-N 3.04Å; R38-Q43 HydrophobicContact CB-CB 3.94Å; R38-Q43 HydrophobicContact CG-CB 4.38Å; R38-Q43 WeakPolarHBondContact O-CB 3.42Å; R38-Q43 PolarHBondContact O-N 2.99Å; R38-N46 PolarHBondContact NE-OD1 2.91Å |
| 39 | E | 75.9 | Confident | 79.3 | Confident | 37 Ų | 37 | 49.9 Ų | 49.9 | 17% | 0.173 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.8 | -40.5 | 175.3 | -67 | -172 | 112.4 | 0 | 0 | 112.5 | L35 G36 M41 N42 N70 Y71 | L35-E39 PolarHBondContact O-N 3.39Å; L35-E39 VanDerWaalsContact O-N 3.1Å; G36-E39 PolarHBondContact O-N 2.84Å; E39-M41 PolarHBondContact O-N 3.12Å; E39-M41 VanDerWaalsContact O-N 3.15Å; E39-N42 PolarHBondContact O-N 2.96Å; E39-N70 WeakPolarHBondContact OE1-CB 3.48Å; E39-N70 PolarHBondContact OE1-ND2 2.96Å; E39-Y71 WeakPolarHBondContact CG-OH 3.45Å; E39-Y71 WeakPolarHBondContact OE1-CE2 3.36Å; E39-Y71 WeakPolarHBondContact OE2-CE2 3.42Å; E39-Y71 VanDerWaalsContact OE2-CZ 3.25Å; E39-Y71 PolarHBondContact OE2-OH 3.49Å |
| 40 | S | 76.9 | Confident | 79.9 | Confident | 96 Ų | 96 | 47.4 Ų | 47.4 | 67% | 0.671 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -64.3 | -17 | 176.6 | 78.9 | 0 | 0 | 0 | 0 | 114.2 | G36 V37 R38 | G36-S40 PolarHBondContact O-N 3.32Å; G36-S40 VanDerWaalsContact O-N 3.1Å; V37-S40 PolarHBondContact O-N 3.15Å; V37-S40 PolarHBondContact O-OG 3.29Å; R38-S40 VanDerWaalsContact C-N 3.27Å; R38-S40 PolarHBondContact O-N 3.49Å |
| 41 | M | 73.8 | Confident | 80 | Confident | 103 Ų | 103 | 46.1 Ų | 46.1 | 51% | 0.507 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 13.5 | 175 | -60.9 | 177.9 | 179.7 | 0 | 0 | 112.6 | V37 R38 E39 Q43 | V37-M41 HydrophobicContact CG1-CE 3.79Å; V37-M41 PolarHBondContact O-N 3.22Å; R38-M41 CarbonylContact O-C 3.55Å; R38-M41 WeakPolarHBondContact O-CA 3.25Å; R38-M41 WeakPolarHBondContact O-CB 3.32Å; R38-M41 PolarHBondContact O-N 3.46Å; E39-M41 PolarHBondContact O-N 3.12Å; E39-M41 VanDerWaalsContact O-N 3.15Å; M41-Q43 HydrophobicContact CB-CG 4.17Å; M41-Q43 PolarHBondContact O-N 3.27Å |
| 42 | N | 70.4 | Confident | 79.7 | Confident | 133 Ų | 133 | 48.8 Ų | 48.8 | 71% | 0.711 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 18 | -169.7 | -69.5 | -23.1 | 0 | 0 | 0 | 114.5 | R38 E39 N44 | R38-N42 PolarHBondContact O-N 3.04Å; E39-N42 PolarHBondContact O-N 2.96Å; N42-N44 VanDerWaalsContact C-N 3.28Å; N42-N44 PolarHBondContact O-N 3.32Å |
| 43 | Q | 75.9 | Confident | 79.2 | Confident | 64 Ų | 64 | 50.9 Ų | 50.9 | 30% | 0.299 | 27% | 0.265 | S | S | . | . | trans | -83.8 | 71.8 | 177.4 | -69.3 | -66.7 | -31.3 | 0 | 0 | 110.1 | R38 M41 N46 | R38-Q43 HydrophobicContact CB-CB 3.94Å; R38-Q43 HydrophobicContact CG-CB 4.38Å; R38-Q43 WeakPolarHBondContact O-CB 3.42Å; R38-Q43 PolarHBondContact O-N 2.99Å; M41-Q43 HydrophobicContact CB-CG 4.17Å; M41-Q43 PolarHBondContact O-N 3.27Å; Q43-N46 PolarHBondContact O-ND2 2.85Å | ||
| 44 | N | 71.3 | Confident | 78 | Confident | 67 Ų | 67 | 46.6 Ų | 46.6 | 36% | 0.358 | 25% | 0.251 | S | S | . | . | trans | -80.5 | -17.4 | -164 | -64 | -23.1 | 0 | 0 | 0 | 115 | N42 N46 | N42-N44 VanDerWaalsContact C-N 3.28Å; N42-N44 PolarHBondContact O-N 3.32Å; N44-N46 VanDerWaalsContact C-ND2 3.33Å; N44-N46 PolarHBondContact O-N 2.92Å; N44-N46 PolarHBondContact O-ND2 2.94Å | ||
| 45 | Y | 79.4 | Confident | 76.6 | Confident | 81 Ų | 81 | 51 Ų | 51 | 32% | 0.318 | 28% | 0.279 | S | S | . | . | trans | -80.8 | 82.2 | -176.8 | -67.1 | -72.4 | 0 | 0 | 0 | 112.7 | V18 V125 D128 | V18-Y45 PolarHBondContact N-O 2.83Å; Y45-V125 HydrophobicContact CD1-CB 4.08Å; Y45-V125 HydrophobicContact CD1-CG1 3.65Å; Y45-V125 HydrophobicContact CD1-CG2 3.43Å; Y45-V125 VanDerWaalsContact CD1-CG2 3.43Å; Y45-V125 HydrophobicContact CD2-CG1 3.49Å; Y45-V125 VanDerWaalsContact CD2-CG1 3.49Å; Y45-V125 HydrophobicContact CE1-CB 4.46Å; Y45-V125 HydrophobicContact CE1-CG1 4.09Å; Y45-V125 HydrophobicContact CE1-CG2 4.06Å; Y45-V125 HydrophobicContact CE2-CG1 3.96Å; Y45-V125 HydrophobicContact CG-CB 4.22Å; Y45-V125 HydrophobicContact CG-CG1 3.33Å; Y45-V125 HydrophobicContact CG-CG2 3.88Å; Y45-D128 HydrophobicContact CE2-CB 4.4Å; Y45-D128 WeakPolarHBondContact OH-CB 3.4Å; Y45-D128 PolarHBondContact OH-OD2 3.22Å | ||
| 46 | N | 83.3 | Confident | 75 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.011 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 113 | -177 | -57.3 | -66.2 | 0 | 0 | 0 | 109.8 | V18 L35 R38 Q43 N44 Y71 R72 | V18-N46 HydrophobicContact CG2-CB 4.22Å; V18-N46 WeakPolarHBondContact CG2-OD1 3.35Å; L35-N46 HydrophobicContact CD2-CB 3.81Å; R38-N46 PolarHBondContact NE-OD1 2.91Å; Q43-N46 PolarHBondContact O-ND2 2.85Å; N44-N46 VanDerWaalsContact C-ND2 3.33Å; N44-N46 PolarHBondContact O-N 2.92Å; N44-N46 PolarHBondContact O-ND2 2.94Å; N46-Y71 HydrophobicContact CB-CD1 3.56Å; N46-Y71 HydrophobicContact CB-CE1 3.71Å; N46-R72 PolarHBondContact O-N 2.89Å; N46-R72 VanDerWaalsContact O-N 3.12Å |
| 47 | I | 85.8 | Confident | 73.7 | Confident | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 121.1 | 177.4 | -60.8 | 176.3 | 0 | 0 | 0 | 108.7 | V17 V18 V19 V20 L49 R72 M121 L122 | V17-I47 HydrophobicContact CG1-CD1 3.91Å; V17-I47 HydrophobicContact CG1-CG1 4.23Å; V18-I47 PolarHBondContact O-N 3.3Å; V19-I47 CarbonylContact C-O 3.59Å; V19-I47 WeakPolarHBondContact CA-O 3.4Å; V19-I47 HydrophobicContact CG1-CG2 4.27Å; V19-I47 HydrophobicContact CG2-CB 4.19Å; V19-I47 HydrophobicContact CG2-CD1 4.25Å; V20-I47 PolarHBondContact N-O 3.33Å; I47-L49 HydrophobicContact CG2-CD2 3.96Å; I47-R72 WeakPolarHBondContact CA-O 3.39Å; I47-M121 HydrophobicContact CB-CE 4.24Å; I47-M121 HydrophobicContact CD1-CB 4.04Å; I47-M121 HydrophobicContact CD1-CE 3.98Å; I47-M121 HydrophobicContact CG1-CE 3.78Å; I47-M121 HydrophobicContact CG2-CE 3.62Å; I47-L122 HydrophobicContact CD1-CD2 4.05Å |
| 48 | V | 85.7 | Confident | 71.9 | Confident | 3 Ų | 3 | 73.2 Ų | 73.2 | 2% | 0.018 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 119.4 | -178 | -179.7 | 0 | 0 | 0 | 0 | 109.7 | V20 V22 L35 I66 Y71 R72 T73 L74 | V20-V48 CarbonylContact O-C 3.45Å; V20-V48 WeakPolarHBondContact O-CA 3.37Å; V22-V48 HydrophobicContact CB-CG1 4.43Å; V22-V48 HydrophobicContact CG1-CG1 4.06Å; V22-V48 HydrophobicContact CG2-CG1 3.47Å; V22-V48 VanDerWaalsContact CG2-CG1 3.47Å; L35-V48 HydrophobicContact CD1-CG2 4.13Å; V48-I66 HydrophobicContact CG1-CD1 4.35Å; V48-Y71 HydrophobicContact CG2-CD1 3.84Å; V48-Y71 HydrophobicContact CG2-CG 4.27Å; V48-R72 PolarHBondContact N-O 3.42Å; V48-T73 CarbonylContact O-C 3.54Å; V48-T73 WeakPolarHBondContact O-CA 3.36Å; V48-L74 PolarHBondContact O-N 3.35Å |
| 49 | L | 86.7 | Confident | 69.9 | Low | 16 Ų | 16 | 83.1 Ų | 83.1 | 8% | 0.084 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 140.4 | 176.1 | -46 | -178 | 0 | 0 | 0 | 110.4 | V19 V20 D21 V22 I47 L74 Y76 F114 | V19-L49 HydrophobicContact CG1-CD1 3.57Å; V19-L49 HydrophobicContact CG1-CD2 3.96Å; V19-L49 HydrophobicContact CG1-CG 3.68Å; V20-L49 PolarHBondContact O-N 3.04Å; D21-L49 HydrophobicContact CB-CB 4.31Å; V22-L49 WeakPolarHBondContact CG2-O 3.41Å; V22-L49 PolarHBondContact N-O 2.8Å; I47-L49 HydrophobicContact CG2-CD2 3.96Å; L49-L74 WeakPolarHBondContact CA-O 3.46Å; L49-L74 HydrophobicContact CD2-CB 3.75Å; L49-L74 HydrophobicContact CD2-CD2 3.75Å; L49-L74 HydrophobicContact CD2-CG 4.38Å; L49-Y76 HydrophobicContact CB-CD1 4.09Å; L49-Y76 HydrophobicContact CB-CE1 3.81Å; L49-F114 HydrophobicContact CD1-CE2 4.2Å; L49-F114 HydrophobicContact CD1-CZ 3.87Å; L49-F114 HydrophobicContact CD2-CE2 4.3Å; L49-F114 HydrophobicContact CD2-CZ 4.4Å |
| 50 | Y | 82 | Confident | 68.5 | Low | 37 Ų | 37 | 84.8 Ų | 84.8 | 15% | 0.145 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 122.5 | 172.8 | -177.9 | -97.7 | 0 | 0 | 0 | 111.6 | V22 F52 L62 L74 L75 Y76 | V22-Y50 HydrophobicContact CG2-CD2 4.23Å; Y50-F52 HydrophobicContact CD1-CB 4.48Å; Y50-F52 HydrophobicContact CE1-CB 4.33Å; Y50-L62 HydrophobicContact CE1-CD1 4.12Å; Y50-L62 HydrophobicContact CE1-CD2 4.35Å; Y50-L62 HydrophobicContact CE2-CD2 4Å; Y50-L74 PolarHBondContact N-O 2.87Å; Y50-L75 HydrophobicContact CD1-CD2 3.97Å; Y50-L75 HydrophobicContact CG-CD2 4.44Å; Y50-L75 WeakPolarHBondContact O-CA 3.34Å; Y50-Y76 WeakPolarHBondContact O-CD1 3.43Å; Y50-Y76 PolarHBondContact O-N 3.13Å |
| 51 | A | 81.3 | Confident | 66.8 | Low | 37 Ų | 37 | 85.5 Ų | 85.5 | 31% | 0.306 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 130.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110 | S23 Y76 | S23-A51 VanDerWaalsContact OG-CB 3.26Å; S23-A51 WeakPolarHBondContact OG-CB 3.26Å; S23-A51 PolarHBondContact OG-N 2.53Å; A51-Y76 CarbonylContact C-O 3.5Å; A51-Y76 VanDerWaalsContact CA-O 3.31Å; A51-Y76 WeakPolarHBondContact CA-O 3.27Å; A51-Y76 HydrophobicContact CB-CD2 4.41Å; A51-Y76 HydrophobicContact CB-CE1 4.12Å; A51-Y76 HydrophobicContact CB-CE2 3.78Å |
| 52 | F | 73.7 | Confident | 65.7 | Low | 64 Ų | 64 | 83 Ų | 83 | 28% | 0.281 | 41% | 0.411 | S | S | . | . | trans | -126.4 | 154.6 | 169.7 | 76.3 | -82.8 | 0 | 0 | 0 | 111.2 | Y50 E54 L75 Y76 A77 W86 | Y50-F52 HydrophobicContact CD1-CB 4.48Å; Y50-F52 HydrophobicContact CE1-CB 4.33Å; F52-E54 HydrophobicContact CE2-CG 3.77Å; F52-E54 HydrophobicContact CZ-CG 4.45Å; F52-L75 HydrophobicContact CD1-CB 3.84Å; F52-L75 HydrophobicContact CE1-CB 3.88Å; F52-Y76 VanDerWaalsContact CD1-O 3.3Å; F52-Y76 WeakPolarHBondContact CD1-O 3.16Å; F52-Y76 PolarHBondContact N-O 3.34Å; F52-A77 HydrophobicContact CD1-CB 4.2Å; F52-A77 HydrophobicContact CE1-CB 3.87Å; F52-A77 HydrophobicContact CE2-CB 4.25Å; F52-A77 HydrophobicContact CZ-CB 3.91Å; F52-A77 WeakPolarHBondContact O-CB 3.49Å; F52-W86 HydrophobicContact CE1-CD2 4.34Å; F52-W86 AromaticContact CE1-CE3 3.49Å; F52-W86 HydrophobicContact CE1-CE3 3.49Å; F52-W86 VanDerWaalsContact CE1-CE3 3.49Å; F52-W86 HydrophobicContact CE1-CH2 4.28Å; F52-W86 AromaticContact CE1-CZ3 3.47Å; F52-W86 HydrophobicContact CE1-CZ3 3.47Å; F52-W86 VanDerWaalsContact CE1-CZ3 3.47Å; F52-W86 HydrophobicContact CZ-CD2 4.18Å; F52-W86 AromaticContact CZ-CE3 3.58Å; F52-W86 HydrophobicContact CZ-CE3 3.58Å; F52-W86 AromaticContact CZ-CH2 3.65Å; F52-W86 HydrophobicContact CZ-CH2 3.65Å; F52-W86 HydrophobicContact CZ-CZ2 4.23Å; F52-W86 AromaticContact CZ-CZ3 3.3Å; F52-W86 HydrophobicContact CZ-CZ3 3.3Å | ||
| 53 | D | 66.3 | Low | 64.5 | Low | 91 Ų | 91 | 86.2 Ų | 86.2 | 49% | 0.487 | 42% | 0.421 | S | S | . | . | trans | -102.1 | 119.1 | 177 | -171 | -25.4 | 0 | 0 | 0 | 109.1 | T55 F56 | D53-T55 PolarHBondContact O-N 3.29Å; D53-T55 VanDerWaalsContact O-N 3.17Å; D53-T55 VanDerWaalsContact OD1-CB 3.31Å; D53-T55 WeakPolarHBondContact OD1-CB 3.44Å; D53-T55 WeakPolarHBondContact OD1-CG2 3.31Å; D53-T55 PolarHBondContact OD1-N 3.44Å; D53-T55 PolarHBondContact OD1-OG1 2.96Å; D53-T55 PolarHBondContact OD2-OG1 3.4Å; D53-F56 PolarHBondContact O-N 2.93Å | ||
| 54 | E | 57.7 | Low | 63.3 | Low | 68 Ų | 68 | 84.4 Ų | 84.4 | 32% | 0.318 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -19.4 | 177.5 | -84 | -169 | 171.9 | 0 | 0 | 112.5 | F52 V79 K111 | F52-E54 HydrophobicContact CE2-CG 3.77Å; F52-E54 HydrophobicContact CZ-CG 4.45Å; E54-V79 HydrophobicContact CG-CG2 4.34Å; E54-K111 IonicContact OE1-NZ 2.77Å |
| 55 | T | 54.9 | Low | 62.3 | Low | 111 Ų | 111 | 91 Ų | 91 | 68% | 0.681 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -20.5 | 178.8 | 69.5 | 0 | 0 | 0 | 0 | 113.7 | D53 R57 | D53-T55 PolarHBondContact O-N 3.29Å; D53-T55 VanDerWaalsContact O-N 3.17Å; D53-T55 VanDerWaalsContact OD1-CB 3.31Å; D53-T55 WeakPolarHBondContact OD1-CB 3.44Å; D53-T55 WeakPolarHBondContact OD1-CG2 3.31Å; D53-T55 PolarHBondContact OD1-N 3.44Å; D53-T55 PolarHBondContact OD1-OG1 2.96Å; D53-T55 PolarHBondContact OD2-OG1 3.4Å; T55-R57 PolarHBondContact O-N 3.5Å |
| 56 | F | 49.6 | Very low | 61 | Low | 142 Ų | 142 | 89.2 Ų | 89.2 | 62% | 0.623 | 43% | 0.433 | S | S | * | . | trans | -101.7 | 48.2 | -177.6 | -89.3 | -87.7 | 0 | 0 | 0 | 113.7 | D53 E58 | D53-F56 PolarHBondContact O-N 2.93Å; F56-E58 PolarHBondContact O-N 2.94Å; F56-E58 VanDerWaalsContact O-N 3.1Å | ||
| 57 | R | 51.4 | Low | 59.5 | Low | 199 Ų | 199 | 93.3 Ų | 93.3 | 75% | 0.751 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -17.5 | 179.8 | -80.2 | -174.1 | 178.6 | -165 | -0.7 | 116 | T55 | T55-R57 PolarHBondContact O-N 3.5Š|
| 58 | E | 43.7 | Very low | 57.8 | Low | 184 Ų | 184 | 99.4 Ų | 99.4 | 86% | 0.86 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | -4.1 | -172.3 | -65.1 | -166.4 | 154.5 | 0 | 0 | 115.6 | F56 | F56-E58 PolarHBondContact O-N 2.94Å; F56-E58 VanDerWaalsContact O-N 3.1Å |
| 59 | R | 41.8 | Very low | 56.2 | Low | 208 Ų | 208 | 106.4 Ų | 106.4 | 79% | 0.785 | 53% | 0.526 | S | S | * | . | trans | -143.8 | 87.8 | 173.7 | -70.4 | -172.3 | -177.2 | 170.9 | 2.1 | 111.3 | P61 | R59-P61 VanDerWaalsContact O-CD 3.23Å; R59-P61 WeakPolarHBondContact O-CD 3.45Å | ||
| 60 | A | 46.9 | Very low | 55 | Low | 72 Ų | 72 | 109.6 Ų | 109.6 | 60% | 0.595 | 54% | 0.543 | S | S | * | . | trans | -73 | 112.7 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | L62 | A60-L62 HydrophobicContact CB-CD1 4.42Å; A60-L62 PolarHBondContact O-N 3.23Å | ||
| 61 | P | 41.9 | Very low | 54.5 | Low | 111 Ų | 111 | 109.2 Ų | 109.2 | 72% | 0.721 | 54% | 0.541 | S | S | * | . | trans | -85.5 | 58.8 | 177.3 | 36.7 | -31.1 | 0 | 0 | 0 | 109.3 | R59 | R59-P61 VanDerWaalsContact O-CD 3.23Å; R59-P61 WeakPolarHBondContact O-CD 3.45Å | ||
| 62 | L | 49.8 | Very low | 54.3 | Low | 51 Ų | 51 | 111.6 Ų | 111.6 | 27% | 0.267 | 54% | 0.543 | S | S | . | . | trans | -112.3 | 73 | -173.1 | -77.5 | 168.5 | 0 | 0 | 0 | 111.7 | Y50 A60 F64 F93 | Y50-L62 HydrophobicContact CE1-CD1 4.12Å; Y50-L62 HydrophobicContact CE1-CD2 4.35Å; Y50-L62 HydrophobicContact CE2-CD2 4Å; A60-L62 HydrophobicContact CB-CD1 4.42Å; A60-L62 PolarHBondContact O-N 3.23Å; L62-F64 HydrophobicContact CB-CB 4.47Å; L62-F64 HydrophobicContact CD2-CB 3.68Å; L62-F64 HydrophobicContact CD2-CG 4.33Å; L62-F64 PolarHBondContact O-N 2.94Å; L62-F93 HydrophobicContact CB-CE1 4.21Å; L62-F93 HydrophobicContact CB-CZ 4.34Å; L62-F93 WeakPolarHBondContact O-CE1 3.35Å | ||
| 63 | H | 45.7 | Very low | 54.3 | Low | 200 Ų | 200 | 110 Ų | 110 | 93% | 0.926 | 54% | 0.538 | S | S | * | . | trans | -72.8 | 46 | 152.6 | -87.7 | -57.3 | 0 | 0 | 0 | 111 | ||||
| 64 | F | 51.2 | Low | 55.1 | Low | 27 Ų | 27 | 105.7 Ų | 105.7 | 12% | 0.118 | 52% | 0.515 | C | S | . | . | trans | -104.5 | 83 | -174.3 | -148.5 | -122.8 | 0 | 0 | 0 | 110.2 | V22 Q28 C32 L62 I66 | V22-F64 HydrophobicContact CB-CE1 4.29Å; V22-F64 HydrophobicContact CB-CZ 4.06Å; V22-F64 HydrophobicContact CG1-CZ 4.34Å; V22-F64 HydrophobicContact CG2-CE1 3.78Å; V22-F64 HydrophobicContact CG2-CZ 4.06Å; Q28-F64 HydrophobicContact CB-CE2 3.66Å; Q28-F64 HydrophobicContact CB-CZ 4.3Å; Q28-F64 HydrophobicContact CG-CD2 4.24Å; Q28-F64 HydrophobicContact CG-CE2 3.5Å; Q28-F64 VanDerWaalsContact CG-CE2 3.5Å; Q28-F64 HydrophobicContact CG-CZ 3.87Å; C32-F64 VanDerWaalsContact SG-CE2 3.59Å; C32-F64 WeakPolarHBondContact SG-CZ 3.3Å; L62-F64 HydrophobicContact CB-CB 4.47Å; L62-F64 HydrophobicContact CD2-CB 3.68Å; L62-F64 HydrophobicContact CD2-CG 4.33Å; L62-F64 PolarHBondContact O-N 2.94Å; F64-I66 VanDerWaalsContact C-N 3.25Å; F64-I66 HydrophobicContact CD1-CD1 3.64Å; F64-I66 HydrophobicContact CD1-CG1 3.44Å; F64-I66 VanDerWaalsContact CD1-CG1 3.44Å; F64-I66 HydrophobicContact CE1-CD1 3.5Å; F64-I66 HydrophobicContact CE1-CG1 3.51Å; F64-I66 HydrophobicContact CG-CG1 4.36Å; F64-I66 HydrophobicContact CZ-CG1 4.45Å; F64-I66 PolarHBondContact O-N 3.41Å | ||
| 65 | K | 48.9 | Very low | 56.2 | Low | 205 Ų | 205 | 104.5 Ų | 104.5 | 89% | 0.891 | 51% | 0.511 | S | S | * | . | trans | -75.8 | 72.8 | 174.6 | -71.9 | -175.1 | 175 | -177.5 | 0 | 110.8 | ||||
| 66 | I | 53.4 | Low | 57.7 | Low | 43 Ų | 43 | 101 Ų | 101 | 22% | 0.221 | 49% | 0.485 | C | S | . | . | trans | -74.1 | 132.5 | 160.7 | -44.2 | -179.3 | 0 | 0 | 0 | 107.8 | V48 F64 Q68 Y71 | V48-I66 HydrophobicContact CG1-CD1 4.35Å; F64-I66 VanDerWaalsContact C-N 3.25Å; F64-I66 HydrophobicContact CD1-CD1 3.64Å; F64-I66 HydrophobicContact CD1-CG1 3.44Å; F64-I66 VanDerWaalsContact CD1-CG1 3.44Å; F64-I66 HydrophobicContact CE1-CD1 3.5Å; F64-I66 HydrophobicContact CE1-CG1 3.51Å; F64-I66 HydrophobicContact CG-CG1 4.36Å; F64-I66 HydrophobicContact CZ-CG1 4.45Å; F64-I66 PolarHBondContact O-N 3.41Å; I66-Q68 PolarHBondContact O-N 3.4Å; I66-Y71 HydrophobicContact CG2-CD2 3.26Å; I66-Y71 HydrophobicContact CG2-CE2 3.72Å; I66-Y71 HydrophobicContact CG2-CG 3.89Å | ||
| 67 | P | 50.3 | Low | 59.3 | Low | 89 Ų | 89 | 94.6 Ų | 94.6 | 58% | 0.578 | 46% | 0.458 | S | S | * | . | trans | -56.7 | 122.1 | 166.6 | -22.8 | 34.2 | 0 | 0 | 0 | 110.4 | N69 | P67-N69 VanDerWaalsContact C-N 3.27Å; P67-N69 PolarHBondContact O-N 3.19Å; P67-N69 VanDerWaalsContact O-N 3.07Å | ||
| 68 | Q | 51 | Low | 60.8 | Low | 129 Ų | 129 | 91.1 Ų | 91.1 | 60% | 0.603 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -3 | -159.8 | -75.6 | -179.3 | -43.3 | 0 | 0 | 116.7 | I66 V91 | I66-Q68 PolarHBondContact O-N 3.4Å; Q68-V91 PolarHBondContact NE2-O 2.84Å |
| 69 | N | 52.3 | Low | 62.4 | Low | 151 Ų | 151 | 83.2 Ų | 83.2 | 81% | 0.807 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | -19.4 | -162 | -73.5 | 8.4 | 0 | 0 | 0 | 116.6 | P67 | P67-N69 VanDerWaalsContact C-N 3.27Å; P67-N69 PolarHBondContact O-N 3.19Å; P67-N69 VanDerWaalsContact O-N 3.07Å |
| 70 | N | 61 | Low | 64.1 | Low | 83 Ų | 83 | 81.1 Ų | 81.1 | 44% | 0.444 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | -18 | -167.8 | -72 | -6.9 | 0 | 0 | 0 | 115.6 | E39 | E39-N70 WeakPolarHBondContact OE1-CB 3.48Å; E39-N70 PolarHBondContact OE1-ND2 2.96Å |
| 71 | Y | 72.1 | Confident | 65.6 | Low | 28 Ų | 28 | 81 Ų | 81 | 11% | 0.11 | 43% | 0.428 | C | S | . | . | trans | -94.3 | 125.4 | -175.5 | -63.8 | -81.6 | 0 | 0 | 0 | 112.1 | L35 G36 E39 N46 V48 I66 T73 | L35-Y71 VanDerWaalsContact C-OH 3.29Å; L35-Y71 HydrophobicContact CB-CE1 3.75Å; L35-Y71 HydrophobicContact CD1-CE1 4.14Å; L35-Y71 HydrophobicContact CD2-CD1 4.48Å; L35-Y71 HydrophobicContact CD2-CE1 3.9Å; L35-Y71 HydrophobicContact CG-CE1 4.13Å; L35-Y71 PolarHBondContact O-OH 3.43Å; G36-Y71 PolarHBondContact N-OH 2.89Å; E39-Y71 WeakPolarHBondContact CG-OH 3.45Å; E39-Y71 WeakPolarHBondContact OE1-CE2 3.36Å; E39-Y71 WeakPolarHBondContact OE2-CE2 3.42Å; E39-Y71 VanDerWaalsContact OE2-CZ 3.25Å; E39-Y71 PolarHBondContact OE2-OH 3.49Å; N46-Y71 HydrophobicContact CB-CD1 3.56Å; N46-Y71 HydrophobicContact CB-CE1 3.71Å; V48-Y71 HydrophobicContact CG2-CD1 3.84Å; V48-Y71 HydrophobicContact CG2-CG 4.27Å; I66-Y71 HydrophobicContact CG2-CD2 3.26Å; I66-Y71 HydrophobicContact CG2-CE2 3.72Å; I66-Y71 HydrophobicContact CG2-CG 3.89Å; Y71-T73 PolarHBondContact O-N 3.25Å | ||
| 72 | R | 75.5 | Confident | 67.5 | Low | 88 Ų | 88 | 78.1 Ų | 78.1 | 33% | 0.332 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 108.3 | 173.5 | -65 | 179.6 | 167.5 | -130 | 12.6 | 109.5 | N46 I47 V48 M121 E124 | N46-R72 PolarHBondContact O-N 2.89Å; N46-R72 VanDerWaalsContact O-N 3.12Å; I47-R72 WeakPolarHBondContact CA-O 3.39Å; V48-R72 PolarHBondContact N-O 3.42Å; R72-M121 HydrophobicContact CB-CE 3.49Å; R72-M121 VanDerWaalsContact CB-CE 3.49Å; R72-M121 HydrophobicContact CG-CE 4.48Å; R72-E124 IonicContact CZ-OE2 3.53Å; R72-E124 VanDerWaalsContact CZ-OE2 3.27Å; R72-E124 IonicContact NH1-OE2 3.68Å; R72-E124 PolarHBondContact NH1-OE2 2.99Å; R72-E124 IonicContact NH2-OE2 3.78Å; R72-E124 PolarHBondContact NH2-OE2 3.39Å |
| 73 | T | 75.7 | Confident | 69.1 | Low | 30 Ų | 30 | 79.4 Ų | 79.4 | 18% | 0.184 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 133.9 | -173.2 | -55.9 | 0 | 0 | 0 | 0 | 112.8 | V48 Y71 L75 C88 | V48-T73 CarbonylContact O-C 3.54Å; V48-T73 WeakPolarHBondContact O-CA 3.36Å; Y71-T73 PolarHBondContact O-N 3.25Å; T73-L75 HydrophobicContact CG2-CD2 4.29Å; T73-C88 PolarHBondContact O-N 2.86Å; T73-C88 VanDerWaalsContact O-N 3.08Å |
| 74 | L | 81.6 | Confident | 70.9 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 111 | 176.8 | -161.6 | 85.2 | 0 | 0 | 0 | 110 | V48 L49 Y50 A85 F114 Q117 M121 | V48-L74 PolarHBondContact O-N 3.35Å; L49-L74 WeakPolarHBondContact CA-O 3.46Å; L49-L74 HydrophobicContact CD2-CB 3.75Å; L49-L74 HydrophobicContact CD2-CD2 3.75Å; L49-L74 HydrophobicContact CD2-CG 4.38Å; Y50-L74 PolarHBondContact N-O 2.87Å; L74-A85 HydrophobicContact CD1-CB 4.23Å; L74-A85 HydrophobicContact CD2-CB 3.96Å; L74-A85 HydrophobicContact CG-CB 4.02Å; L74-F114 HydrophobicContact CD2-CD2 3.75Å; L74-F114 HydrophobicContact CD2-CE2 3.58Å; L74-F114 HydrophobicContact CD2-CZ 4.33Å; L74-Q117 HydrophobicContact CD1-CB 4.08Å; L74-Q117 HydrophobicContact CD1-CG 3.7Å; L74-Q117 VanDerWaalsContact CD1-OE1 3.25Å; L74-M121 HydrophobicContact CD1-SD 3.85Å |
| 75 | L | 81.5 | Confident | 72.4 | Confident | 43 Ų | 43 | 69.3 Ų | 69.3 | 23% | 0.225 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 135.4 | 170.6 | -56.8 | -174.9 | 0 | 0 | 0 | 109 | Y50 F52 T73 A85 W86 C88 | Y50-L75 HydrophobicContact CD1-CD2 3.97Å; Y50-L75 HydrophobicContact CG-CD2 4.44Å; Y50-L75 WeakPolarHBondContact O-CA 3.34Å; F52-L75 HydrophobicContact CD1-CB 3.84Å; F52-L75 HydrophobicContact CE1-CB 3.88Å; T73-L75 HydrophobicContact CG2-CD2 4.29Å; L75-A85 CarbonylContact O-C 3.58Å; L75-A85 VanDerWaalsContact O-CA 3.23Å; L75-A85 WeakPolarHBondContact O-CA 3.44Å; L75-W86 PolarHBondContact N-O 3.17Å; L75-W86 PolarHBondContact O-N 3.34Å; L75-C88 WeakPolarHBondContact CD1-SG 3.41Å |
| 76 | Y | 86.1 | Confident | 73.7 | Confident | 39 Ų | 39 | 61.3 Ų | 61.3 | 15% | 0.153 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 151.2 | 178.2 | 72.7 | -89.1 | 0 | 0 | 0 | 112.9 | D21 S23 L49 Y50 A51 F52 L83 V84 F114 | D21-Y76 PolarHBondContact OD2-OH 3.05Å; S23-Y76 PolarHBondContact OG-OH 3.25Å; L49-Y76 HydrophobicContact CB-CD1 4.09Å; L49-Y76 HydrophobicContact CB-CE1 3.81Å; Y50-Y76 WeakPolarHBondContact O-CD1 3.43Å; Y50-Y76 PolarHBondContact O-N 3.13Å; A51-Y76 CarbonylContact C-O 3.5Å; A51-Y76 VanDerWaalsContact CA-O 3.31Å; A51-Y76 WeakPolarHBondContact CA-O 3.27Å; A51-Y76 HydrophobicContact CB-CD2 4.41Å; A51-Y76 HydrophobicContact CB-CE1 4.12Å; A51-Y76 HydrophobicContact CB-CE2 3.78Å; F52-Y76 VanDerWaalsContact CD1-O 3.3Å; F52-Y76 WeakPolarHBondContact CD1-O 3.16Å; F52-Y76 PolarHBondContact N-O 3.34Å; Y76-L83 HydrophobicContact CD2-CD1 3.91Å; Y76-L83 HydrophobicContact CE2-CD1 4.5Å; Y76-V84 VanDerWaalsContact CA-O 3.3Å; Y76-V84 WeakPolarHBondContact CA-O 3.33Å; Y76-F114 HydrophobicContact CD1-CE2 4.24Å; Y76-F114 HydrophobicContact CG-CD2 4.25Å; Y76-F114 HydrophobicContact CG-CE2 4.18Å |
| 77 | A | 83 | Confident | 74.3 | Confident | 6 Ų | 6 | 62.4 Ų | 62.4 | 5% | 0.05 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 156.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | F52 V79 V84 W86 | F52-A77 HydrophobicContact CD1-CB 4.2Å; F52-A77 HydrophobicContact CE1-CB 3.87Å; F52-A77 HydrophobicContact CE2-CB 4.25Å; F52-A77 HydrophobicContact CZ-CB 3.91Å; F52-A77 WeakPolarHBondContact O-CB 3.49Å; A77-V79 HydrophobicContact CB-CG2 4.17Å; A77-V84 PolarHBondContact N-O 2.81Å; A77-V84 VanDerWaalsContact O-CG2 3.26Å; A77-V84 WeakPolarHBondContact O-CG2 3.2Å; A77-V84 PolarHBondContact O-N 3.33Å; A77-W86 HydrophobicContact CB-CH2 4.45Å; A77-W86 HydrophobicContact CB-CZ3 4.04Å |
| 78 | L | 82.4 | Confident | 74.9 | Confident | 126 Ų | 126 | 59.8 Ų | 59.8 | 66% | 0.66 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 111.5 | 169.1 | -172.3 | 73.1 | 0 | 0 | 0 | 108.3 | ||
| 79 | V | 77.7 | Confident | 74.9 | Confident | 18 Ų | 18 | 58.5 Ų | 58.5 | 11% | 0.109 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 126 | 179.8 | -173 | 0 | 0 | 0 | 0 | 108.9 | E54 A77 G81 A82 V84 | E54-V79 HydrophobicContact CG-CG2 4.34Å; A77-V79 HydrophobicContact CB-CG2 4.17Å; V79-G81 PolarHBondContact O-N 2.86Å; V79-G81 VanDerWaalsContact O-N 3.15Å; V79-A82 PolarHBondContact N-O 3.31Å; V79-A82 PolarHBondContact O-N 3.08Å; V79-A82 VanDerWaalsContact O-O 3.14Å; V79-V84 HydrophobicContact CB-CG2 3.89Å; V79-V84 HydrophobicContact CG2-CG2 3.58Å |
| 80 | D | 77.9 | Confident | 74.4 | Confident | 165 Ų | 165 | 59.2 Ų | 59.2 | 88% | 0.882 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 35.6 | -177.5 | -52.7 | -43.1 | 0 | 0 | 0 | 113.8 | A82 | D80-A82 VanDerWaalsContact C-N 3.25Å; D80-A82 PolarHBondContact O-N 2.91Å |
| 81 | G | 78.7 | Confident | 73.6 | Confident | 69 Ų | 69 | 58.6 Ų | 58.6 | 71% | 0.711 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | -1.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | V79 | V79-G81 PolarHBondContact O-N 2.86Å; V79-G81 VanDerWaalsContact O-N 3.15Å |
| 82 | A | 81.2 | Confident | 71.9 | Confident | 51 Ų | 51 | 63.5 Ų | 63.5 | 42% | 0.421 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 135.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V79 D80 V84 | V79-A82 PolarHBondContact N-O 3.31Å; V79-A82 PolarHBondContact O-N 3.08Å; V79-A82 VanDerWaalsContact O-O 3.14Å; D80-A82 VanDerWaalsContact C-N 3.25Å; D80-A82 PolarHBondContact O-N 2.91Å; A82-V84 PolarHBondContact O-N 3.04Å |
| 83 | L | 84.6 | Confident | 70 | Confident | 77 Ų | 77 | 65.1 Ų | 65.1 | 40% | 0.403 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 107.9 | 174.9 | -161.5 | 72.9 | 0 | 0 | 0 | 110.1 | Y76 F114 | Y76-L83 HydrophobicContact CD2-CD1 3.91Å; Y76-L83 HydrophobicContact CE2-CD1 4.5Å; L83-F114 HydrophobicContact CB-CB 4.26Å; L83-F114 HydrophobicContact CD2-CB 3.8Å; L83-F114 HydrophobicContact CD2-CD1 3.94Å; L83-F114 HydrophobicContact CD2-CD2 3.99Å; L83-F114 HydrophobicContact CD2-CG 3.65Å; L83-F114 HydrophobicContact CG-CB 3.89Å; L83-F114 HydrophobicContact CG-CD2 4.43Å; L83-F114 HydrophobicContact CG-CG 4.2Å; L83-F114 WeakPolarHBondContact O-CB 3.32Å; L83-F114 PolarHBondContact O-N 3.35Å |
| 84 | V | 83.7 | Confident | 68 | Low | 15 Ų | 15 | 66.7 Ų | 66.7 | 9% | 0.091 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 149.4 | -177 | -74.5 | 0 | 0 | 0 | 0 | 110.5 | Y76 A77 V79 A82 W86 K111 | Y76-V84 VanDerWaalsContact CA-O 3.3Å; Y76-V84 WeakPolarHBondContact CA-O 3.33Å; A77-V84 PolarHBondContact N-O 2.81Å; A77-V84 VanDerWaalsContact O-CG2 3.26Å; A77-V84 WeakPolarHBondContact O-CG2 3.2Å; A77-V84 PolarHBondContact O-N 3.33Å; V79-V84 HydrophobicContact CB-CG2 3.89Å; V79-V84 HydrophobicContact CG2-CG2 3.58Å; A82-V84 PolarHBondContact O-N 3.04Å; V84-W86 HydrophobicContact CB-CH2 4.15Å; V84-W86 HydrophobicContact CB-CZ3 4.07Å; V84-W86 HydrophobicContact CG2-CH2 3.53Å; V84-W86 HydrophobicContact CG2-CZ3 3.62Å; V84-K111 HydrophobicContact CB-CG 4.08Å; V84-K111 HydrophobicContact CG1-CG 3.99Å |
| 85 | A | 81.4 | Confident | 65.6 | Low | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 153.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L74 L75 R112 F114 Q117 | L74-A85 HydrophobicContact CD1-CB 4.23Å; L74-A85 HydrophobicContact CD2-CB 3.96Å; L74-A85 HydrophobicContact CG-CB 4.02Å; L75-A85 CarbonylContact O-C 3.58Å; L75-A85 VanDerWaalsContact O-CA 3.23Å; L75-A85 WeakPolarHBondContact O-CA 3.44Å; A85-R112 PolarHBondContact N-O 3.2Å; A85-R112 PolarHBondContact O-N 3.31Å; A85-F114 HydrophobicContact CB-CB 4.12Å; A85-F114 HydrophobicContact CB-CD2 4.07Å; A85-Q117 PolarHBondContact O-OE1 3.25Å; A85-Q117 VanDerWaalsContact O-OE1 3.06Å |
| 86 | W | 76.4 | Confident | 63.2 | Low | 37 Ų | 37 | 76.7 Ų | 76.7 | 14% | 0.14 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 117.9 | 175.9 | -63.6 | -106.5 | 0 | 0 | 0 | 108.2 | F52 L75 A77 V84 C88 K111 Q117 | F52-W86 HydrophobicContact CE1-CD2 4.34Å; F52-W86 AromaticContact CE1-CE3 3.49Å; F52-W86 HydrophobicContact CE1-CE3 3.49Å; F52-W86 VanDerWaalsContact CE1-CE3 3.49Å; F52-W86 HydrophobicContact CE1-CH2 4.28Å; F52-W86 AromaticContact CE1-CZ3 3.47Å; F52-W86 HydrophobicContact CE1-CZ3 3.47Å; F52-W86 VanDerWaalsContact CE1-CZ3 3.47Å; F52-W86 HydrophobicContact CZ-CD2 4.18Å; F52-W86 AromaticContact CZ-CE3 3.58Å; F52-W86 HydrophobicContact CZ-CE3 3.58Å; F52-W86 AromaticContact CZ-CH2 3.65Å; F52-W86 HydrophobicContact CZ-CH2 3.65Å; F52-W86 HydrophobicContact CZ-CZ2 4.23Å; F52-W86 AromaticContact CZ-CZ3 3.3Å; F52-W86 HydrophobicContact CZ-CZ3 3.3Å; L75-W86 PolarHBondContact N-O 3.17Å; L75-W86 PolarHBondContact O-N 3.34Å; A77-W86 HydrophobicContact CB-CH2 4.45Å; A77-W86 HydrophobicContact CB-CZ3 4.04Å; V84-W86 HydrophobicContact CB-CH2 4.15Å; V84-W86 HydrophobicContact CB-CZ3 4.07Å; V84-W86 HydrophobicContact CG2-CH2 3.53Å; V84-W86 HydrophobicContact CG2-CZ3 3.62Å; W86-C88 PolarHBondContact O-N 2.95Å; W86-K111 HydrophobicContact CH2-CD 4.49Å; W86-K111 HydrophobicContact CH2-CG 4.42Å; W86-K111 HydrophobicContact CZ2-CB 4.49Å; W86-K111 HydrophobicContact CZ2-CD 4Å; W86-K111 HydrophobicContact CZ2-CG 3.93Å; W86-Q117 VanDerWaalsContact N-OE1 3.14Å |
| 87 | S | 66.6 | Low | 60.6 | Low | 67 Ų | 67 | 85.8 Ų | 85.8 | 47% | 0.469 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 121.3 | 169.3 | -179.7 | 0 | 0 | 0 | 0 | 108.9 | ||
| 88 | C | 62.7 | Low | 58 | Low | 33 Ų | 33 | 94.8 Ų | 94.8 | 22% | 0.223 | 54% | 0.539 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 103.2 | 176.4 | -73.6 | 0 | 0 | 0 | 0 | 109.3 | T73 L75 W86 V91 | T73-C88 PolarHBondContact O-N 2.86Å; T73-C88 VanDerWaalsContact O-N 3.08Å; L75-C88 WeakPolarHBondContact CD1-SG 3.41Å; W86-C88 PolarHBondContact O-N 2.95Å; C88-V91 HydrophobicContact CB-CG2 3.8Å |
| 89 | S | 51.2 | Low | 55.5 | Low | 103 Ų | 103 | 93.2 Ų | 93.2 | 72% | 0.72 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -82 | -22.5 | 169.6 | 57.8 | 0 | 0 | 0 | 0 | 112.8 | ||
| 90 | H | 41.6 | Very low | 53.3 | Low | 166 Ų | 166 | 97.6 Ų | 97.6 | 77% | 0.769 | 59% | 0.585 | S | S | * | * | trans | -144.8 | 103.3 | -176.2 | -64.9 | 71.6 | 0 | 0 | 0 | 110.8 | ||||
| 91 | V | 43.5 | Very low | 51.2 | Low | 69 Ų | 69 | 93 Ų | 93 | 42% | 0.418 | 57% | 0.57 | S | S | . | * | trans | -110.6 | 104 | 165.8 | -177.9 | 0 | 0 | 0 | 0 | 108.4 | Q68 C88 F93 | Q68-V91 PolarHBondContact NE2-O 2.84Å; C88-V91 HydrophobicContact CB-CG2 3.8Å; V91-F93 HydrophobicContact CB-CE2 4.41Å; V91-F93 HydrophobicContact CG1-CD2 3.99Å; V91-F93 HydrophobicContact CG1-CE2 3.7Å; V91-F93 HydrophobicContact CG1-CZ 4.27Å; V91-F93 PolarHBondContact O-N 3.38Å | ||
| 92 | V | 37.7 | Very low | 49.4 | Very low | 132 Ų | 132 | 95.1 Ų | 95.1 | 80% | 0.8 | 57% | 0.571 | S | S | * | * | trans | -79 | 105 | 177.4 | -178.5 | 0 | 0 | 0 | 0 | 109.4 | G94 | V92-G94 PolarHBondContact O-N 3.07Š| ||
| 93 | F | 35.5 | Very low | 47.4 | Very low | 121 Ų | 121 | 98 Ų | 98 | 53% | 0.531 | 58% | 0.584 | S | S | . | * | trans | -81.4 | 104.1 | 169.6 | -81.6 | -84.8 | 0 | 0 | 0 | 110.1 | L62 V91 | L62-F93 HydrophobicContact CB-CE1 4.21Å; L62-F93 HydrophobicContact CB-CZ 4.34Å; L62-F93 WeakPolarHBondContact O-CE1 3.35Å; V91-F93 HydrophobicContact CB-CE2 4.41Å; V91-F93 HydrophobicContact CG1-CD2 3.99Å; V91-F93 HydrophobicContact CG1-CE2 3.7Å; V91-F93 HydrophobicContact CG1-CZ 4.27Å; V91-F93 PolarHBondContact O-N 3.38Å | ||
| 94 | G | 32.7 | Very low | 45.6 | Very low | 63 Ų | 63 | 99.7 Ų | 99.7 | 65% | 0.649 | 60% | 0.597 | S | S | * | * | trans | -116.5 | 128.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | V92 | V92-G94 PolarHBondContact O-N 3.07Š| ||
| 95 | V | 31.5 | Very low | 43.4 | Very low | 129 Ų | 129 | 106.4 Ų | 106.4 | 78% | 0.782 | 63% | 0.632 | S | S | * | * | trans | -6.8 | 131.9 | 163.9 | -160 | 0 | 0 | 0 | 0 | 117.7 | W97 | V95-W97 PolarHBondContact O-N 2.9Š| ||
| 96 | P | 31.5 | Very low | 41.4 | Very low | 125 Ų | 125 | 108.5 Ų | 108.5 | 81% | 0.812 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -80 | 71.9 | -176.9 | 35.1 | -37.8 | 0 | 0 | 0 | 113.6 | ||
| 97 | W | 32.2 | Very low | 39.5 | Very low | 229 Ų | 229 | 109.7 Ų | 109.7 | 87% | 0.867 | 68% | 0.677 | S | S | * | * | trans | -151.4 | 141.5 | 161.4 | -107.9 | 10.7 | 0 | 0 | 0 | 110.2 | V95 | V95-W97 PolarHBondContact O-N 2.9Š| ||
| 98 | F | 28.4 | Very low | 38.5 | Very low | 195 Ų | 195 | 112.6 Ų | 112.6 | 86% | 0.855 | 70% | 0.697 | S | S | * | * | S | Bend | trans | 75.8 | 117.6 | -167.4 | -62.3 | -83.7 | 0 | 0 | 0 | 115.8 | S100 | F98-S100 PolarHBondContact O-N 3.06Š|
| 99 | G | 28.5 | Very low | 37.9 | Very low | 94 Ų | 94 | 119.8 Ų | 119.8 | 97% | 0.969 | 73% | 0.728 | S | S | * | * | trans | -87.6 | 89.2 | -169 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 100 | S | 32.7 | Very low | 38 | Very low | 109 Ų | 109 | 116 Ų | 116 | 76% | 0.762 | 71% | 0.705 | S | S | * | * | trans | -133.6 | 118.6 | 162.5 | 52.8 | 0 | 0 | 0 | 0 | 109.2 | F98 | F98-S100 PolarHBondContact O-N 3.06Š| ||
| 101 | A | 33.9 | Very low | 38.8 | Very low | 69 Ų | 69 | 112.6 Ų | 112.6 | 57% | 0.57 | 69% | 0.688 | S | S | * | * | trans | -59.1 | 149.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | T103 | A101-T103 PolarHBondContact O-N 3.19Š| ||
| 102 | P | 39.3 | Very low | 40 | Very low | 114 Ų | 114 | 115 Ų | 115 | 74% | 0.74 | 69% | 0.69 | S | S | * | * | trans | -62.8 | 107 | 179.9 | 25.3 | -33.3 | 0 | 0 | 0 | 110.4 | V104 | P102-V104 PolarHBondContact O-N 3.46Š| ||
| 103 | T | 40.1 | Very low | 42.2 | Very low | 112 Ų | 112 | 111.8 Ų | 111.8 | 69% | 0.687 | 67% | 0.673 | S | S | * | * | trans | -69.1 | 113.2 | 171.7 | 40.3 | 0 | 0 | 0 | 0 | 109.2 | A101 N105 | A101-T103 PolarHBondContact O-N 3.19Å; T103-N105 VanDerWaalsContact C-N 3.25Å; T103-N105 PolarHBondContact O-N 2.8Å | ||
| 104 | V | 46.3 | Very low | 44.6 | Very low | 111 Ų | 111 | 107.8 Ų | 107.8 | 67% | 0.673 | 66% | 0.656 | S | S | * | * | trans | -62.7 | 93.9 | 161.1 | 179.3 | 0 | 0 | 0 | 0 | 106.7 | P102 G106 | P102-V104 PolarHBondContact O-N 3.46Å; V104-G106 PolarHBondContact O-N 2.93Å | ||
| 105 | N | 38.5 | Very low | 47.1 | Very low | 157 Ų | 157 | 114.7 Ų | 114.7 | 84% | 0.84 | 66% | 0.662 | S | S | * | * | trans | -72.9 | 65.9 | 174.4 | -89.1 | -13.8 | 0 | 0 | 0 | 110 | T103 | T103-N105 VanDerWaalsContact C-N 3.25Å; T103-N105 PolarHBondContact O-N 2.8Å | ||
| 106 | G | 39.3 | Very low | 49.6 | Very low | 44 Ų | 44 | 111.4 Ų | 111.4 | 45% | 0.454 | 65% | 0.645 | S | S | . | * | trans | -132.2 | 103.9 | 168 | 0 | 0 | 0 | 0 | 0 | 107.6 | V104 | V104-G106 PolarHBondContact O-N 2.93Š| ||
| 107 | G | 36 | Very low | 52.1 | Low | 61 Ų | 61 | 106.1 Ų | 106.1 | 63% | 0.629 | 61% | 0.609 | S | S | * | * | trans | -58.5 | -177.7 | 157.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q109 G110 | G107-Q109 PolarHBondContact O-N 3.25Å; G107-G110 PolarHBondContact O-N 3.39Å; G107-G110 VanDerWaalsContact O-N 3.08Å | ||
| 108 | S | 46.2 | Very low | 54.7 | Low | 128 Ų | 128 | 96.6 Ų | 96.6 | 90% | 0.895 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | -0.7 | -169.6 | -35.5 | 0 | 0 | 0 | 0 | 117.4 | ||
| 109 | Q | 48.8 | Very low | 57.4 | Low | 184 Ų | 184 | 93.8 Ų | 93.8 | 86% | 0.86 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -11.6 | 175 | -64.1 | -174.5 | -16 | 0 | 0 | 114.7 | G107 | G107-Q109 PolarHBondContact O-N 3.25Š|
| 110 | G | 53.6 | Low | 60 | Low | 24 Ų | 24 | 93.4 Ų | 93.4 | 25% | 0.247 | 54% | 0.535 | C | S | . | . | S | Bend | trans | -79.6 | -27 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | G107 R112 | G107-G110 PolarHBondContact O-N 3.39Å; G107-G110 VanDerWaalsContact O-N 3.08Å; G110-R112 PolarHBondContact O-N 3.26Å |
| 111 | K | 58.5 | Low | 62.3 | Low | 94 Ų | 94 | 88.5 Ų | 88.5 | 41% | 0.409 | 50% | 0.501 | S | S | . | . | trans | -84.6 | 93.1 | -172.9 | -162.8 | 167 | -173.5 | 163.9 | 0 | 110.2 | E54 V84 W86 | E54-K111 IonicContact OE1-NZ 2.77Å; V84-K111 HydrophobicContact CB-CG 4.08Å; V84-K111 HydrophobicContact CG1-CG 3.99Å; W86-K111 HydrophobicContact CH2-CD 4.49Å; W86-K111 HydrophobicContact CH2-CG 4.42Å; W86-K111 HydrophobicContact CZ2-CB 4.49Å; W86-K111 HydrophobicContact CZ2-CD 4Å; W86-K111 HydrophobicContact CZ2-CG 3.93Å | ||
| 112 | R | 69.1 | Low | 64.5 | Low | 119 Ų | 119 | 88.7 Ų | 88.7 | 45% | 0.449 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 159.6 | 173.1 | -66.4 | -172.9 | -178 | -179.6 | -0.1 | 110.2 | A85 G110 Q120 | A85-R112 PolarHBondContact N-O 3.2Å; A85-R112 PolarHBondContact O-N 3.31Å; G110-R112 PolarHBondContact O-N 3.26Å; R112-Q120 VanDerWaalsContact NH1-OE1 3.13Å |
| 113 | S | 83.2 | Confident | 66.4 | Low | 65 Ų | 65 | 87.4 Ų | 87.4 | 46% | 0.455 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 139.1 | 169.5 | 65.8 | 0 | 0 | 0 | 0 | 109.5 | R115 S116 Q117 | S113-R115 PolarHBondContact O-N 3.3Å; S113-R115 VanDerWaalsContact O-N 3.17Å; S113-S116 PolarHBondContact O-N 3.42Å; S113-S116 WeakPolarHBondContact OG-CB 3.22Å; S113-S116 PolarHBondContact OG-N 3.01Å; S113-Q117 PolarHBondContact O-N 3.32Å |
| 114 | F | 86.6 | Confident | 67.9 | Low | 38 Ų | 38 | 85 Ų | 85 | 17% | 0.167 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -49.2 | -45.4 | 178.9 | 177 | -84.8 | 0 | 0 | 0 | 111.6 | L49 L74 Y76 L83 A85 S116 Q117 I118 | L49-F114 HydrophobicContact CD1-CE2 4.2Å; L49-F114 HydrophobicContact CD1-CZ 3.87Å; L49-F114 HydrophobicContact CD2-CE2 4.3Å; L49-F114 HydrophobicContact CD2-CZ 4.4Å; L74-F114 HydrophobicContact CD2-CD2 3.75Å; L74-F114 HydrophobicContact CD2-CE2 3.58Å; L74-F114 HydrophobicContact CD2-CZ 4.33Å; Y76-F114 HydrophobicContact CD1-CE2 4.24Å; Y76-F114 HydrophobicContact CG-CD2 4.25Å; Y76-F114 HydrophobicContact CG-CE2 4.18Å; L83-F114 HydrophobicContact CB-CB 4.26Å; L83-F114 HydrophobicContact CD2-CB 3.8Å; L83-F114 HydrophobicContact CD2-CD1 3.94Å; L83-F114 HydrophobicContact CD2-CD2 3.99Å; L83-F114 HydrophobicContact CD2-CG 3.65Å; L83-F114 HydrophobicContact CG-CB 3.89Å; L83-F114 HydrophobicContact CG-CD2 4.43Å; L83-F114 HydrophobicContact CG-CG 4.2Å; L83-F114 WeakPolarHBondContact O-CB 3.32Å; L83-F114 PolarHBondContact O-N 3.35Å; A85-F114 HydrophobicContact CB-CB 4.12Å; A85-F114 HydrophobicContact CB-CD2 4.07Å; F114-S116 VanDerWaalsContact C-N 3.34Å; F114-S116 PolarHBondContact O-N 3.16Å; F114-Q117 PolarHBondContact O-N 3.15Å; F114-I118 HydrophobicContact CD1-CG2 4.3Å; F114-I118 HydrophobicContact CE1-CB 4.45Å; F114-I118 HydrophobicContact CE1-CD1 3.93Å; F114-I118 HydrophobicContact CE1-CG2 4.15Å; F114-I118 HydrophobicContact CZ-CD1 3.86Å; F114-I118 WeakPolarHBondContact O-CG2 3.46Å; F114-I118 PolarHBondContact O-N 3.18Å |
| 115 | R | 85.1 | Confident | 68.9 | Low | 208 Ų | 208 | 79.9 Ų | 79.9 | 79% | 0.785 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -55.8 | -41 | 176.7 | -174.4 | -179.5 | -177.3 | -169.8 | 2.2 | 113.5 | S113 K119 | S113-R115 PolarHBondContact O-N 3.3Å; S113-R115 VanDerWaalsContact O-N 3.17Å; R115-K119 VanDerWaalsContact O-CB 3.25Å; R115-K119 WeakPolarHBondContact O-CB 3.42Å; R115-K119 PolarHBondContact O-N 2.94Å |
| 116 | S | 84.6 | Confident | 70.2 | Confident | 59 Ų | 59 | 78.2 Ų | 78.2 | 41% | 0.413 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -71.1 | -37.8 | -179.7 | -173.7 | 0 | 0 | 0 | 0 | 111.8 | S113 F114 Q120 | S113-S116 PolarHBondContact O-N 3.42Å; S113-S116 WeakPolarHBondContact OG-CB 3.22Å; S113-S116 PolarHBondContact OG-N 3.01Å; F114-S116 VanDerWaalsContact C-N 3.34Å; F114-S116 PolarHBondContact O-N 3.16Å; S116-Q120 PolarHBondContact O-N 2.58Å |
| 117 | Q | 83.6 | Confident | 71.2 | Confident | 15 Ų | 15 | 81.6 Ų | 81.6 | 7% | 0.07 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -78.5 | -42.8 | -173.1 | -151.7 | 164.9 | 48 | 0 | 0 | 111.1 | L74 A85 W86 S113 F114 K119 Q120 M121 | L74-Q117 HydrophobicContact CD1-CB 4.08Å; L74-Q117 HydrophobicContact CD1-CG 3.7Å; L74-Q117 VanDerWaalsContact CD1-OE1 3.25Å; A85-Q117 PolarHBondContact O-OE1 3.25Å; A85-Q117 VanDerWaalsContact O-OE1 3.06Å; W86-Q117 VanDerWaalsContact N-OE1 3.14Å; S113-Q117 PolarHBondContact O-N 3.32Å; F114-Q117 PolarHBondContact O-N 3.15Å; Q117-K119 VanDerWaalsContact C-N 3.35Å; Q117-K119 PolarHBondContact O-N 3.28Å; Q117-Q120 PolarHBondContact O-N 3.43Å; Q117-M121 WeakPolarHBondContact O-CG 3.07Å; Q117-M121 PolarHBondContact O-N 3.07Å; Q117-M121 VanDerWaalsContact O-N 3.15Å |
| 118 | I | 86.3 | Confident | 72.6 | Confident | 29 Ų | 29 | 81.5 Ų | 81.5 | 15% | 0.149 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.4 | -36.9 | 174.6 | -159.1 | 166.4 | 0 | 0 | 0 | 112.1 | V19 F114 Q120 M121 L122 | V19-I118 HydrophobicContact CG1-CD1 4.15Å; F114-I118 HydrophobicContact CD1-CG2 4.3Å; F114-I118 HydrophobicContact CE1-CB 4.45Å; F114-I118 HydrophobicContact CE1-CD1 3.93Å; F114-I118 HydrophobicContact CE1-CG2 4.15Å; F114-I118 HydrophobicContact CZ-CD1 3.86Å; F114-I118 WeakPolarHBondContact O-CG2 3.46Å; F114-I118 PolarHBondContact O-N 3.18Å; I118-Q120 PolarHBondContact O-N 3.44Å; I118-M121 PolarHBondContact O-N 3.35Å; I118-L122 HydrophobicContact CG1-CD1 4.4Å; I118-L122 WeakPolarHBondContact O-CG 3.37Å; I118-L122 PolarHBondContact O-N 2.84Å |
| 119 | K | 85.2 | Confident | 73.4 | Confident | 135 Ų | 135 | 77 Ų | 77 | 59% | 0.587 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63.6 | -40.3 | 175.1 | -172.7 | 179.1 | -178.4 | -174.4 | 0 | 112.2 | R115 Q117 N123 | R115-K119 VanDerWaalsContact O-CB 3.25Å; R115-K119 WeakPolarHBondContact O-CB 3.42Å; R115-K119 PolarHBondContact O-N 2.94Å; Q117-K119 VanDerWaalsContact C-N 3.35Å; Q117-K119 PolarHBondContact O-N 3.28Å; K119-N123 PolarHBondContact O-N 2.84Å; K119-N123 VanDerWaalsContact O-N 3.16Å; K119-N123 PolarHBondContact O-OD1 2.85Å |
| 120 | Q | 82.7 | Confident | 74.2 | Confident | 86 Ų | 86 | 68.9 Ų | 68.9 | 40% | 0.402 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.9 | -48.2 | 175.4 | -172.8 | -169.7 | -33.9 | 0 | 0 | 110.7 | R112 S116 Q117 I118 L122 N123 E124 | R112-Q120 VanDerWaalsContact NH1-OE1 3.13Å; S116-Q120 PolarHBondContact O-N 2.58Å; Q117-Q120 PolarHBondContact O-N 3.43Å; I118-Q120 PolarHBondContact O-N 3.44Å; Q120-L122 VanDerWaalsContact C-N 3.34Å; Q120-L122 PolarHBondContact O-N 3.22Å; Q120-N123 PolarHBondContact O-N 2.98Å; Q120-E124 PolarHBondContact NE2-OE1 3.12Å; Q120-E124 PolarHBondContact O-N 3.32Å |
| 121 | M | 81 | Confident | 74.9 | Confident | 7 Ų | 7 | 72.9 Ų | 72.9 | 3% | 0.034 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.4 | -36.8 | -177.9 | -68.6 | 174.8 | 54.2 | 0 | 0 | 113.2 | I47 R72 L74 Q117 I118 | I47-M121 HydrophobicContact CB-CE 4.24Å; I47-M121 HydrophobicContact CD1-CB 4.04Å; I47-M121 HydrophobicContact CD1-CE 3.98Å; I47-M121 HydrophobicContact CG1-CE 3.78Å; I47-M121 HydrophobicContact CG2-CE 3.62Å; R72-M121 HydrophobicContact CB-CE 3.49Å; R72-M121 VanDerWaalsContact CB-CE 3.49Å; R72-M121 HydrophobicContact CG-CE 4.48Å; L74-M121 HydrophobicContact CD1-SD 3.85Å; Q117-M121 WeakPolarHBondContact O-CG 3.07Å; Q117-M121 PolarHBondContact O-N 3.07Å; Q117-M121 VanDerWaalsContact O-N 3.15Å; I118-M121 PolarHBondContact O-N 3.35Å |
| 122 | L | 81.2 | Confident | 75.8 | Confident | 73 Ų | 73 | 74 Ų | 74 | 38% | 0.382 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.6 | -39.4 | 176.3 | -69.3 | 170.5 | 0 | 0 | 0 | 112.6 | V17 I47 I118 Q120 E124 V125 | V17-L122 HydrophobicContact CB-CD2 4.45Å; V17-L122 HydrophobicContact CG1-CD2 3.91Å; I47-L122 HydrophobicContact CD1-CD2 4.05Å; I118-L122 HydrophobicContact CG1-CD1 4.4Å; I118-L122 WeakPolarHBondContact O-CG 3.37Å; I118-L122 PolarHBondContact O-N 2.84Å; Q120-L122 VanDerWaalsContact C-N 3.34Å; Q120-L122 PolarHBondContact O-N 3.22Å; L122-E124 VanDerWaalsContact C-N 3.29Å; L122-E124 PolarHBondContact O-N 3.05Å; L122-V125 PolarHBondContact O-N 3.39Å |
| 123 | N | 78.1 | Confident | 76.1 | Confident | 86 Ų | 86 | 70.3 Ų | 70.3 | 46% | 0.46 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.7 | -34.6 | 178.2 | -79.8 | 15.9 | 0 | 0 | 0 | 113 | K119 Q120 | K119-N123 PolarHBondContact O-N 2.84Å; K119-N123 VanDerWaalsContact O-N 3.16Å; K119-N123 PolarHBondContact O-OD1 2.85Å; Q120-N123 PolarHBondContact O-N 2.98Å |
| 124 | E | 71.2 | Confident | 76.1 | Confident | 61 Ų | 61 | 69.6 Ų | 69.6 | 29% | 0.285 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.9 | -39.7 | 179.7 | -71.4 | 172 | -151.3 | 0 | 0 | 111.4 | R72 Q120 L122 Q126 I127 | R72-E124 IonicContact CZ-OE2 3.53Å; R72-E124 VanDerWaalsContact CZ-OE2 3.27Å; R72-E124 IonicContact NH1-OE2 3.68Å; R72-E124 PolarHBondContact NH1-OE2 2.99Å; R72-E124 IonicContact NH2-OE2 3.78Å; R72-E124 PolarHBondContact NH2-OE2 3.39Å; Q120-E124 PolarHBondContact NE2-OE1 3.12Å; Q120-E124 PolarHBondContact O-N 3.32Å; L122-E124 VanDerWaalsContact C-N 3.29Å; L122-E124 PolarHBondContact O-N 3.05Å; E124-Q126 PolarHBondContact O-N 3.44Å; E124-I127 PolarHBondContact O-N 3.29Å |
| 125 | V | 68.6 | Low | 75.8 | Confident | 4 Ų | 4 | 72.7 Ų | 72.7 | 2% | 0.024 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.9 | -35.3 | 180 | -170.6 | 0 | 0 | 0 | 0 | 112.9 | V17 Y45 L122 I127 D128 A129 | V17-V125 HydrophobicContact CG2-CB 3.71Å; V17-V125 HydrophobicContact CG2-CG1 3.51Å; V17-V125 HydrophobicContact CG2-CG2 3.83Å; Y45-V125 HydrophobicContact CD1-CB 4.08Å; Y45-V125 HydrophobicContact CD1-CG1 3.65Å; Y45-V125 HydrophobicContact CD1-CG2 3.43Å; Y45-V125 VanDerWaalsContact CD1-CG2 3.43Å; Y45-V125 HydrophobicContact CD2-CG1 3.49Å; Y45-V125 VanDerWaalsContact CD2-CG1 3.49Å; Y45-V125 HydrophobicContact CE1-CB 4.46Å; Y45-V125 HydrophobicContact CE1-CG1 4.09Å; Y45-V125 HydrophobicContact CE1-CG2 4.06Å; Y45-V125 HydrophobicContact CE2-CG1 3.96Å; Y45-V125 HydrophobicContact CG-CB 4.22Å; Y45-V125 HydrophobicContact CG-CG1 3.33Å; Y45-V125 HydrophobicContact CG-CG2 3.88Å; L122-V125 PolarHBondContact O-N 3.39Å; V125-I127 PolarHBondContact O-N 3.49Å; V125-D128 PolarHBondContact O-N 2.97Å; V125-A129 WeakPolarHBondContact O-CB 3.34Å; V125-A129 PolarHBondContact O-N 3.5Å |
| 126 | Q | 64.5 | Low | 75.8 | Confident | 122 Ų | 122 | 68.2 Ų | 68.2 | 57% | 0.57 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -60.5 | -33.5 | 179.6 | -171.8 | 177.8 | 0.4 | 0 | 0 | 112.1 | E124 S130 | E124-Q126 PolarHBondContact O-N 3.44Å; Q126-S130 PolarHBondContact O-N 3.14Å; Q126-S130 VanDerWaalsContact O-N 3.16Å |
| 127 | I | 60.6 | Low | 76.1 | Confident | 115 Ų | 115 | 65.4 Ų | 65.4 | 59% | 0.59 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -68.1 | -49.5 | 177.9 | -61.9 | 170.6 | 0 | 0 | 0 | 110.1 | E124 V125 A129 S130 Q131 | E124-I127 PolarHBondContact O-N 3.29Å; V125-I127 PolarHBondContact O-N 3.49Å; I127-A129 VanDerWaalsContact C-N 3.35Å; I127-A129 PolarHBondContact O-N 2.98Å; I127-S130 PolarHBondContact O-N 3.26Å; I127-Q131 PolarHBondContact O-N 2.79Å; I127-Q131 VanDerWaalsContact O-N 3.1Å |
| 128 | D | 65.2 | Low | 76.4 | Confident | 60 Ų | 60 | 67 Ų | 67 | 32% | 0.321 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.8 | -37.5 | -178.2 | -61.5 | -31.7 | 0 | 0 | 0 | 111.7 | Y45 V125 Q131 H132 | Y45-D128 HydrophobicContact CE2-CB 4.4Å; Y45-D128 WeakPolarHBondContact OH-CB 3.4Å; Y45-D128 PolarHBondContact OH-OD2 3.22Å; V125-D128 PolarHBondContact O-N 2.97Å; D128-Q131 PolarHBondContact O-N 3.1Å; D128-H132 PolarHBondContact O-N 3.41Å |
| 129 | A | 63.4 | Low | 76.4 | Confident | 32 Ų | 32 | 67.8 Ų | 67.8 | 26% | 0.264 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.8 | -45.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V125 I127 Q131 H132 S133 | V125-A129 WeakPolarHBondContact O-CB 3.34Å; V125-A129 PolarHBondContact O-N 3.5Å; I127-A129 VanDerWaalsContact C-N 3.35Å; I127-A129 PolarHBondContact O-N 2.98Å; A129-Q131 VanDerWaalsContact C-N 3.33Å; A129-Q131 PolarHBondContact O-N 3.3Å; A129-H132 PolarHBondContact O-N 2.92Å; A129-S133 PolarHBondContact O-N 2.7Å; A129-S133 PolarHBondContact O-OG 3.06Å |
| 130 | S | 65.6 | Low | 76.6 | Confident | 15 Ų | 15 | 63.8 Ų | 63.8 | 11% | 0.105 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 174.8 | 170.2 | 0 | 0 | 0 | 0 | 112 | Q126 I127 H132 S133 K134 D168 | Q126-S130 PolarHBondContact O-N 3.14Å; Q126-S130 VanDerWaalsContact O-N 3.16Å; I127-S130 PolarHBondContact O-N 3.26Å; S130-H132 PolarHBondContact O-N 3.47Å; S130-S133 PolarHBondContact O-N 2.9Å; S130-K134 WeakPolarHBondContact O-CG 3.47Å; S130-K134 PolarHBondContact O-N 3.42Å; S130-K134 VanDerWaalsContact O-N 3.12Å; S130-K134 PolarHBondContact OG-NZ 3.35Å; S130-D168 PolarHBondContact OG-O 3.04Å |
| 131 | Q | 69.5 | Low | 77 | Confident | 107 Ų | 107 | 59.9 Ų | 59.9 | 50% | 0.5 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 176.9 | -175.9 | 175 | -27.2 | 0 | 0 | 111.4 | I127 D128 A129 S133 K134 E135 | I127-Q131 PolarHBondContact O-N 2.79Å; I127-Q131 VanDerWaalsContact O-N 3.1Å; D128-Q131 PolarHBondContact O-N 3.1Å; A129-Q131 VanDerWaalsContact C-N 3.33Å; A129-Q131 PolarHBondContact O-N 3.3Å; Q131-S133 PolarHBondContact O-N 3.04Å; Q131-K134 PolarHBondContact O-N 2.74Å; Q131-E135 HydrophobicContact CG-CG 4.47Å; Q131-E135 WeakPolarHBondContact CG-OE1 3.39Å; Q131-E135 PolarHBondContact NE2-OE1 2.95Å; Q131-E135 WeakPolarHBondContact O-CG 3.44Å; Q131-E135 PolarHBondContact O-N 3.42Å |
| 132 | H | 75.6 | Confident | 77.4 | Confident | 117 Ų | 117 | 65.2 Ų | 65.2 | 54% | 0.542 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.7 | -41 | 178.2 | -173.1 | 63.2 | 0 | 0 | 0 | 112.8 | D128 A129 S130 K134 E135 K136 | D128-H132 PolarHBondContact O-N 3.41Å; A129-H132 PolarHBondContact O-N 2.92Å; S130-H132 PolarHBondContact O-N 3.47Å; H132-K134 PolarHBondContact O-N 3.19Å; H132-E135 PolarHBondContact O-N 2.88Å; H132-K136 VanDerWaalsContact O-CB 3.31Å; H132-K136 WeakPolarHBondContact O-CB 3.4Å; H132-K136 PolarHBondContact O-N 3.47Å |
| 133 | S | 76.8 | Confident | 77.7 | Confident | 43 Ų | 43 | 65.8 Ų | 65.8 | 30% | 0.301 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.7 | -38.5 | 177 | -69.5 | 0 | 0 | 0 | 0 | 112.8 | A129 S130 Q131 F137 | A129-S133 PolarHBondContact O-N 2.7Å; A129-S133 PolarHBondContact O-OG 3.06Å; S130-S133 PolarHBondContact O-N 2.9Å; Q131-S133 PolarHBondContact O-N 3.04Å; S133-F137 WeakPolarHBondContact O-CB 3.39Å; S133-F137 PolarHBondContact O-N 3Å |
| 134 | K | 81.9 | Confident | 78.2 | Confident | 49 Ų | 49 | 61.9 Ų | 61.9 | 21% | 0.213 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.7 | -50.4 | 173.6 | -74 | 170.1 | 176.6 | 148 | 0 | 112.6 | S130 Q131 H132 K136 F137 L138 D168 T174 | S130-K134 WeakPolarHBondContact O-CG 3.47Å; S130-K134 PolarHBondContact O-N 3.42Å; S130-K134 VanDerWaalsContact O-N 3.12Å; S130-K134 PolarHBondContact OG-NZ 3.35Å; Q131-K134 PolarHBondContact O-N 2.74Å; H132-K134 PolarHBondContact O-N 3.19Å; K134-K136 VanDerWaalsContact C-N 3.28Å; K134-K136 PolarHBondContact O-N 2.98Å; K134-F137 PolarHBondContact O-N 3.31Å; K134-F137 VanDerWaalsContact O-N 3.16Å; K134-L138 WeakPolarHBondContact O-CG 3.36Å; K134-L138 PolarHBondContact O-N 2.73Å; K134-D168 WeakPolarHBondContact CE-O 3.35Å; K134-D168 WeakPolarHBondContact CG-O 3.3Å; K134-T174 HydrophobicContact CB-CG2 4.42Å; K134-T174 HydrophobicContact CG-CG2 4.32Å |
| 135 | E | 81.6 | Confident | 78.8 | Confident | 104 Ų | 104 | 62.1 Ų | 62.1 | 49% | 0.486 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.3 | -43 | 179.2 | -72.6 | 175 | -173.4 | 0 | 0 | 111.2 | Q131 H132 L138 A139 | Q131-E135 HydrophobicContact CG-CG 4.47Å; Q131-E135 WeakPolarHBondContact CG-OE1 3.39Å; Q131-E135 PolarHBondContact NE2-OE1 2.95Å; Q131-E135 WeakPolarHBondContact O-CG 3.44Å; Q131-E135 PolarHBondContact O-N 3.42Å; H132-E135 PolarHBondContact O-N 2.88Å; E135-L138 PolarHBondContact O-N 3.09Å; E135-A139 WeakPolarHBondContact O-CB 3.36Å; E135-A139 PolarHBondContact O-N 2.73Å |
| 136 | K | 84.4 | Confident | 79.4 | Confident | 113 Ų | 113 | 67.9 Ų | 67.9 | 49% | 0.491 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 175.3 | -173.8 | 174.6 | -179.5 | 178.9 | 0 | 112.6 | H132 K134 L138 A139 D140 | H132-K136 VanDerWaalsContact O-CB 3.31Å; H132-K136 WeakPolarHBondContact O-CB 3.4Å; H132-K136 PolarHBondContact O-N 3.47Å; K134-K136 VanDerWaalsContact C-N 3.28Å; K134-K136 PolarHBondContact O-N 2.98Å; K136-L138 PolarHBondContact O-N 2.98Å; K136-A139 PolarHBondContact O-N 2.82Å; K136-D140 WeakPolarHBondContact O-CB 3.47Å; K136-D140 PolarHBondContact O-N 3.43Å |
| 137 | F | 91.2 | Very high | 80.2 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.2 | -45.5 | 175.2 | 173.1 | -91.8 | 0 | 0 | 0 | 112.2 | S133 K134 D140 L141 L160 R163 L164 V169 T174 M178 | S133-F137 WeakPolarHBondContact O-CB 3.39Å; S133-F137 PolarHBondContact O-N 3Å; K134-F137 PolarHBondContact O-N 3.31Å; K134-F137 VanDerWaalsContact O-N 3.16Å; F137-D140 PolarHBondContact O-N 3.02Å; F137-L141 HydrophobicContact CE1-CD2 4.01Å; F137-L141 HydrophobicContact CZ-CD2 4.3Å; F137-L141 WeakPolarHBondContact O-CB 3.25Å; F137-L141 PolarHBondContact O-N 2.94Å; F137-L160 HydrophobicContact CE2-CB 4.31Å; F137-L160 WeakPolarHBondContact CE2-O 3.32Å; F137-R163 HydrophobicContact CD2-CB 4.03Å; F137-R163 HydrophobicContact CE2-CB 4.25Å; F137-L164 HydrophobicContact CE1-CD2 3.94Å; F137-L164 HydrophobicContact CE2-CD2 4.19Å; F137-L164 HydrophobicContact CE2-CG 4.13Å; F137-L164 HydrophobicContact CZ-CD1 4.16Å; F137-L164 HydrophobicContact CZ-CD2 3.76Å; F137-L164 HydrophobicContact CZ-CG 3.88Å; F137-V169 HydrophobicContact CB-CG1 3.69Å; F137-V169 HydrophobicContact CD1-CG1 4.2Å; F137-V169 HydrophobicContact CD2-CG1 4.05Å; F137-V169 HydrophobicContact CG-CG1 3.71Å; F137-T174 HydrophobicContact CD1-CG2 3.73Å; F137-T174 HydrophobicContact CE1-CG2 4.22Å; F137-M178 HydrophobicContact CZ-SD 4.16Å |
| 138 | L | 89.5 | Confident | 81.1 | Confident | 49 Ų | 49 | 66.5 Ų | 66.5 | 26% | 0.257 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 178.7 | -69.7 | 173.4 | 0 | 0 | 0 | 112 | K134 E135 K136 L141 Q142 T174 S177 | K134-L138 WeakPolarHBondContact O-CG 3.36Å; K134-L138 PolarHBondContact O-N 2.73Å; E135-L138 PolarHBondContact O-N 3.09Å; K136-L138 PolarHBondContact O-N 2.98Å; L138-L141 PolarHBondContact O-N 3.05Å; L138-Q142 WeakPolarHBondContact O-CB 3.44Å; L138-Q142 PolarHBondContact O-N 2.74Å; L138-T174 HydrophobicContact CD2-CG2 4.12Å; L138-T174 HydrophobicContact CG-CG2 4.13Å; L138-S177 WeakPolarHBondContact CD2-OG 3.14Å |
| 139 | A | 87 | Confident | 81.5 | Confident | 45 Ų | 45 | 71.7 Ų | 71.7 | 37% | 0.372 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.2 | -48.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | E135 K136 L141 Q142 I143 | E135-A139 WeakPolarHBondContact O-CB 3.36Å; E135-A139 PolarHBondContact O-N 2.73Å; K136-A139 PolarHBondContact O-N 2.82Å; A139-L141 VanDerWaalsContact C-N 3.32Å; A139-L141 PolarHBondContact O-N 3.42Å; A139-Q142 PolarHBondContact O-N 2.62Å; A139-I143 WeakPolarHBondContact O-CG1 3.45Å; A139-I143 PolarHBondContact O-N 3.43Å |
| 140 | D | 89.6 | Confident | 82 | Confident | 52 Ų | 52 | 72.5 Ų | 72.5 | 28% | 0.278 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.9 | -40.6 | 178 | -66.5 | -32.3 | 0 | 0 | 0 | 111.7 | K136 F137 I143 A144 L160 R163 | K136-D140 WeakPolarHBondContact O-CB 3.47Å; K136-D140 PolarHBondContact O-N 3.43Å; F137-D140 PolarHBondContact O-N 3.02Å; D140-I143 PolarHBondContact O-N 2.65Å; D140-A144 WeakPolarHBondContact O-CB 3.26Å; D140-A144 PolarHBondContact O-N 2.77Å; D140-L160 HydrophobicContact CB-CD2 4.41Å; D140-R163 IonicContact OD2-CZ 3.98Å; D140-R163 IonicContact OD2-NH1 2.74Å; D140-R163 PolarHBondContact OD2-NH1 3.26Å; D140-R163 IonicContact OD2-NH2 2.7Å; D140-R163 PolarHBondContact OD2-NH2 3.41Å |
| 141 | L | 91 | Very high | 82.5 | Confident | 3 Ų | 3 | 79.1 Ų | 79.1 | 2% | 0.016 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66.2 | -38.4 | 176.4 | -176.3 | 63.4 | 0 | 0 | 0 | 112.2 | F137 L138 A139 A144 R145 L157 L160 M178 | F137-L141 HydrophobicContact CE1-CD2 4.01Å; F137-L141 HydrophobicContact CZ-CD2 4.3Å; F137-L141 WeakPolarHBondContact O-CB 3.25Å; F137-L141 PolarHBondContact O-N 2.94Å; L138-L141 PolarHBondContact O-N 3.05Å; A139-L141 VanDerWaalsContact C-N 3.32Å; A139-L141 PolarHBondContact O-N 3.42Å; L141-A144 PolarHBondContact O-N 3.23Å; L141-R145 WeakPolarHBondContact O-CG 3.43Å; L141-R145 PolarHBondContact O-N 2.88Å; L141-L157 HydrophobicContact CD1-CD2 3.44Å; L141-L157 VanDerWaalsContact CD1-CD2 3.44Å; L141-L160 HydrophobicContact CB-CD1 4.32Å; L141-L160 HydrophobicContact CD1-CD1 3.76Å; L141-M178 HydrophobicContact CD1-SD 3.77Å; L141-M178 HydrophobicContact CD2-SD 4.16Å |
| 142 | Q | 88 | Confident | 83 | Confident | 120 Ų | 120 | 81.9 Ų | 81.9 | 56% | 0.561 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -68.2 | -40.2 | 175.8 | -173.1 | 171 | 3.9 | 0 | 0 | 111.9 | L138 A139 A144 R145 Q146 | L138-Q142 WeakPolarHBondContact O-CB 3.44Å; L138-Q142 PolarHBondContact O-N 2.74Å; A139-Q142 PolarHBondContact O-N 2.62Å; Q142-A144 VanDerWaalsContact C-N 3.33Å; Q142-R145 PolarHBondContact O-N 3.1Å; Q142-Q146 WeakPolarHBondContact O-CG 3.39Å; Q142-Q146 PolarHBondContact O-N 3.28Å; Q142-Q146 VanDerWaalsContact O-N 3.13Å |
| 143 | I | 88.5 | Confident | 83.6 | Confident | 84 Ų | 84 | 76.5 Ų | 76.5 | 43% | 0.431 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61 | -43.8 | 172.4 | -68.3 | 165.3 | 0 | 0 | 0 | 110.2 | A139 D140 R145 Q146 N147 | A139-I143 WeakPolarHBondContact O-CG1 3.45Å; A139-I143 PolarHBondContact O-N 3.43Å; D140-I143 PolarHBondContact O-N 2.65Å; I143-R145 PolarHBondContact O-N 2.82Å; I143-Q146 PolarHBondContact O-N 3.42Å; I143-Q146 VanDerWaalsContact O-N 3.09Å; I143-N147 WeakPolarHBondContact CG2-ND2 3.33Å; I143-N147 PolarHBondContact O-N 3.38Å |
| 144 | A | 88.7 | Confident | 84.1 | Confident | 5 Ų | 5 | 76.1 Ų | 76.1 | 4% | 0.041 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.3 | -41.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | D140 L141 Q142 Q146 N147 Y148 F153 V156 L160 | D140-A144 WeakPolarHBondContact O-CB 3.26Å; D140-A144 PolarHBondContact O-N 2.77Å; L141-A144 PolarHBondContact O-N 3.23Å; Q142-A144 VanDerWaalsContact C-N 3.33Å; A144-Q146 PolarHBondContact O-N 2.89Å; A144-N147 PolarHBondContact O-N 3.1Å; A144-Y148 HydrophobicContact CB-CD2 4.2Å; A144-Y148 WeakPolarHBondContact O-CD2 3.48Å; A144-Y148 PolarHBondContact O-N 3.28Å; A144-Y148 VanDerWaalsContact O-N 3.09Å; A144-F153 HydrophobicContact CB-CD2 4.41Å; A144-F153 HydrophobicContact CB-CE2 3.91Å; A144-V156 HydrophobicContact CB-CG1 3.78Å; A144-L160 HydrophobicContact CB-CD1 4.09Å |
| 145 | R | 83.6 | Confident | 84.5 | Confident | 65 Ų | 65 | 77.8 Ų | 77.8 | 25% | 0.245 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.4 | -21.2 | 173.5 | -77.1 | -179.1 | 100 | 153.8 | -4.9 | 114.2 | L141 Q142 I143 R149 F153 L180 S181 D184 | L141-R145 WeakPolarHBondContact O-CG 3.43Å; L141-R145 PolarHBondContact O-N 2.88Å; Q142-R145 PolarHBondContact O-N 3.1Å; I143-R145 PolarHBondContact O-N 2.82Å; R145-R149 PolarHBondContact O-NH1 2.96Å; R145-F153 HydrophobicContact CB-CZ 4.24Å; R145-F153 HydrophobicContact CG-CE1 4.12Å; R145-F153 HydrophobicContact CG-CE2 4.21Å; R145-F153 HydrophobicContact CG-CZ 3.43Å; R145-F153 VanDerWaalsContact CG-CZ 3.43Å; R145-L180 PolarHBondContact NH2-O 3.43Å; R145-S181 WeakPolarHBondContact CD-OG 3.25Å; R145-S181 PolarHBondContact NH1-OG 3.29Å; R145-S181 VanDerWaalsContact NH1-OG 3.16Å; R145-D184 IonicContact CZ-OD2 3.54Å; R145-D184 IonicContact NE-OD2 3.63Å; R145-D184 PolarHBondContact NE-OD2 3.08Å; R145-D184 IonicContact NH2-OD1 3.81Å; R145-D184 PolarHBondContact NH2-OD1 3.41Å; R145-D184 VanDerWaalsContact NH2-OD1 3.14Å; R145-D184 IonicContact NH2-OD2 2.67Å; R145-D184 PolarHBondContact NH2-OD2 3.07Å |
| 146 | Q | 80.4 | Confident | 85 | Confident | 126 Ų | 126 | 74.2 Ų | 74.2 | 59% | 0.589 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -87.1 | -43.8 | 175 | -70.9 | 174.4 | -1.1 | 0 | 0 | 111.3 | Q142 I143 A144 | Q142-Q146 WeakPolarHBondContact O-CG 3.39Å; Q142-Q146 PolarHBondContact O-N 3.28Å; Q142-Q146 VanDerWaalsContact O-N 3.13Å; I143-Q146 PolarHBondContact O-N 3.42Å; I143-Q146 VanDerWaalsContact O-N 3.09Å; A144-Q146 PolarHBondContact O-N 2.89Å |
| 147 | N | 81.2 | Confident | 85.4 | Confident | 107 Ų | 107 | 68.8 Ų | 68.8 | 57% | 0.572 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -88.6 | -21 | -167.8 | -66.5 | -14.4 | 0 | 0 | 0 | 115.2 | I143 A144 | I143-N147 WeakPolarHBondContact CG2-ND2 3.33Å; I143-N147 PolarHBondContact O-N 3.38Å; A144-N147 PolarHBondContact O-N 3.1Å |
| 148 | Y | 80.4 | Confident | 85.4 | Confident | 100 Ų | 100 | 72.2 Ų | 72.2 | 39% | 0.392 | 36% | 0.359 | S | S | . | . | trans | -122.3 | 151.4 | -174.2 | -53.8 | -71.9 | 0 | 0 | 0 | 113.1 | A144 V156 | A144-Y148 HydrophobicContact CB-CD2 4.2Å; A144-Y148 WeakPolarHBondContact O-CD2 3.48Å; A144-Y148 PolarHBondContact O-N 3.28Å; A144-Y148 VanDerWaalsContact O-N 3.09Å; Y148-V156 HydrophobicContact CD2-CB 4.37Å; Y148-V156 HydrophobicContact CD2-CG1 4.23Å; Y148-V156 HydrophobicContact CD2-CG2 3.97Å; Y148-V156 HydrophobicContact CE2-CG1 4.25Å; Y148-V156 HydrophobicContact CE2-CG2 3.97Å; Y148-V156 HydrophobicContact CG-CG2 4.29Å | ||
| 149 | R | 74 | Confident | 85.5 | Confident | 170 Ų | 170 | 76.6 Ų | 76.6 | 64% | 0.642 | 38% | 0.378 | S | S | * | . | trans | -136.4 | 161.6 | 173.3 | -67.5 | -71.3 | 175.2 | -93.8 | 4.9 | 110.5 | R145 F153 | R145-R149 PolarHBondContact O-NH1 2.96Å; R149-F153 PolarHBondContact O-N 3.36Å | ||
| 150 | G | 74.6 | Confident | 85.8 | Confident | 48 Ų | 48 | 75.2 Ų | 75.2 | 50% | 0.495 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | 57.2 | -141.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | K152 F153 N154 | G150-K152 PolarHBondContact O-N 3.27Å; G150-F153 WeakPolarHBondContact O-CB 3.45Å; G150-F153 PolarHBondContact O-N 3.12Å; G150-F153 VanDerWaalsContact O-N 3.13Å; G150-N154 PolarHBondContact O-N 3.18Å |
| 151 | E | 75.4 | Confident | 85.9 | Confident | 155 Ų | 155 | 75.1 Ų | 75.1 | 72% | 0.724 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.8 | -39.8 | -176.2 | -171.4 | 176.4 | -143.5 | 0 | 0 | 113.2 | F153 N154 N155 | E151-F153 VanDerWaalsContact C-N 3.25Å; E151-F153 PolarHBondContact O-N 3.03Å; E151-N154 WeakPolarHBondContact O-CB 3.16Å; E151-N154 PolarHBondContact O-N 3.17Å; E151-N154 VanDerWaalsContact O-N 3.09Å; E151-N155 PolarHBondContact O-N 3.06Å |
| 152 | K | 78.8 | Confident | 85.8 | Confident | 165 Ų | 165 | 78.4 Ų | 78.4 | 72% | 0.717 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -57.2 | -40.7 | 174.4 | -69.7 | -174 | 179.2 | -179.1 | 0 | 111.5 | G150 N155 V156 | G150-K152 PolarHBondContact O-N 3.27Å; K152-N155 PolarHBondContact O-N 3.11Å; K152-V156 WeakPolarHBondContact O-CG2 3.41Å; K152-V156 PolarHBondContact O-N 2.64Å |
| 153 | F | 88.5 | Confident | 85.9 | Confident | 3 Ų | 3 | 76.4 Ų | 76.4 | 1% | 0.013 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -69.2 | -40.8 | 176 | -174.5 | -148.4 | 0 | 0 | 0 | 112.1 | A144 R145 R149 G150 E151 N155 V156 L157 D184 V185 | A144-F153 HydrophobicContact CB-CD2 4.41Å; A144-F153 HydrophobicContact CB-CE2 3.91Å; R145-F153 HydrophobicContact CB-CZ 4.24Å; R145-F153 HydrophobicContact CG-CE1 4.12Å; R145-F153 HydrophobicContact CG-CE2 4.21Å; R145-F153 HydrophobicContact CG-CZ 3.43Å; R145-F153 VanDerWaalsContact CG-CZ 3.43Å; R149-F153 PolarHBondContact O-N 3.36Å; G150-F153 WeakPolarHBondContact O-CB 3.45Å; G150-F153 PolarHBondContact O-N 3.12Å; G150-F153 VanDerWaalsContact O-N 3.13Å; E151-F153 VanDerWaalsContact C-N 3.25Å; E151-F153 PolarHBondContact O-N 3.03Å; F153-N155 VanDerWaalsContact C-N 3.27Å; F153-N155 PolarHBondContact O-N 3.09Å; F153-V156 PolarHBondContact O-N 3.01Å; F153-V156 VanDerWaalsContact O-N 3.17Å; F153-L157 HydrophobicContact CD1-CD1 4.36Å; F153-L157 HydrophobicContact CD2-CD1 4.34Å; F153-L157 HydrophobicContact CD2-CD2 4.43Å; F153-L157 HydrophobicContact CD2-CG 3.98Å; F153-L157 HydrophobicContact CE1-CD1 3.98Å; F153-L157 HydrophobicContact CE1-CG 4.5Å; F153-L157 HydrophobicContact CE2-CD1 3.98Å; F153-L157 HydrophobicContact CE2-CD2 3.58Å; F153-L157 HydrophobicContact CE2-CG 3.59Å; F153-L157 HydrophobicContact CG-CD1 4.48Å; F153-L157 HydrophobicContact CZ-CD1 3.75Å; F153-L157 HydrophobicContact CZ-CD2 3.72Å; F153-L157 HydrophobicContact CZ-CG 3.84Å; F153-L157 WeakPolarHBondContact O-CG 3.24Å; F153-L157 PolarHBondContact O-N 2.89Å; F153-D184 HydrophobicContact CE1-CB 4.43Å; F153-V185 HydrophobicContact CB-CG1 4.07Å; F153-V185 HydrophobicContact CD1-CG1 3.34Å; F153-V185 HydrophobicContact CE1-CG1 4.01Å; F153-V185 HydrophobicContact CG-CG1 4.03Å |
| 154 | N | 88.1 | Confident | 85.8 | Confident | 35 Ų | 35 | 72.9 Ų | 72.9 | 19% | 0.187 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.3 | -38.8 | 175.8 | -164.7 | 37.6 | 0 | 0 | 0 | 112.3 | G150 E151 L157 N158 V185 N187 | G150-N154 PolarHBondContact O-N 3.18Å; E151-N154 WeakPolarHBondContact O-CB 3.16Å; E151-N154 PolarHBondContact O-N 3.17Å; E151-N154 VanDerWaalsContact O-N 3.09Å; N154-L157 PolarHBondContact O-N 2.74Å; N154-N158 VanDerWaalsContact O-CG 3.27Å; N154-N158 PolarHBondContact O-N 3.02Å; N154-N158 PolarHBondContact O-ND2 3.16Å; N154-V185 HydrophobicContact CB-CG2 4.32Å; N154-N187 PolarHBondContact ND2-ND2 3.44Å; N154-N187 PolarHBondContact OD1-ND2 3.03Å |
| 155 | N | 89.5 | Confident | 85.6 | Confident | 85 Ų | 85 | 78.9 Ų | 78.9 | 46% | 0.455 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.4 | -42.3 | 175.7 | -68.7 | -16.5 | 0 | 0 | 0 | 112.3 | E151 K152 F153 L157 N158 Q159 | E151-N155 PolarHBondContact O-N 3.06Å; K152-N155 PolarHBondContact O-N 3.11Å; F153-N155 VanDerWaalsContact C-N 3.27Å; F153-N155 PolarHBondContact O-N 3.09Å; N155-L157 VanDerWaalsContact C-N 3.34Å; N155-N158 PolarHBondContact O-N 2.98Å; N155-Q159 PolarHBondContact O-N 3.09Å; N155-Q159 VanDerWaalsContact O-N 3.12Å |
| 156 | V | 92.3 | Very high | 85.6 | Confident | 28 Ų | 28 | 78.9 Ų | 78.9 | 17% | 0.17 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.8 | -38.8 | 173.9 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | A144 Y148 K152 F153 Q159 L160 | A144-V156 HydrophobicContact CB-CG1 3.78Å; Y148-V156 HydrophobicContact CD2-CB 4.37Å; Y148-V156 HydrophobicContact CD2-CG1 4.23Å; Y148-V156 HydrophobicContact CD2-CG2 3.97Å; Y148-V156 HydrophobicContact CE2-CG1 4.25Å; Y148-V156 HydrophobicContact CE2-CG2 3.97Å; Y148-V156 HydrophobicContact CG-CG2 4.29Å; K152-V156 WeakPolarHBondContact O-CG2 3.41Å; K152-V156 PolarHBondContact O-N 2.64Å; F153-V156 PolarHBondContact O-N 3.01Å; F153-V156 VanDerWaalsContact O-N 3.17Å; V156-Q159 PolarHBondContact O-N 3.38Å; V156-L160 HydrophobicContact CG1-CD1 4.25Å; V156-L160 WeakPolarHBondContact O-CG 3.44Å; V156-L160 PolarHBondContact O-N 3.28Å |
| 157 | L | 93.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 174 | -69.6 | 175 | 0 | 0 | 0 | 112 | L141 F153 N154 N155 Q159 L160 R161 M178 S181 Y182 V185 | L141-L157 HydrophobicContact CD1-CD2 3.44Å; L141-L157 VanDerWaalsContact CD1-CD2 3.44Å; F153-L157 HydrophobicContact CD1-CD1 4.36Å; F153-L157 HydrophobicContact CD2-CD1 4.34Å; F153-L157 HydrophobicContact CD2-CD2 4.43Å; F153-L157 HydrophobicContact CD2-CG 3.98Å; F153-L157 HydrophobicContact CE1-CD1 3.98Å; F153-L157 HydrophobicContact CE1-CG 4.5Å; F153-L157 HydrophobicContact CE2-CD1 3.98Å; F153-L157 HydrophobicContact CE2-CD2 3.58Å; F153-L157 HydrophobicContact CE2-CG 3.59Å; F153-L157 HydrophobicContact CG-CD1 4.48Å; F153-L157 HydrophobicContact CZ-CD1 3.75Å; F153-L157 HydrophobicContact CZ-CD2 3.72Å; F153-L157 HydrophobicContact CZ-CG 3.84Å; F153-L157 WeakPolarHBondContact O-CG 3.24Å; F153-L157 PolarHBondContact O-N 2.89Å; N154-L157 PolarHBondContact O-N 2.74Å; N155-L157 VanDerWaalsContact C-N 3.34Å; L157-Q159 VanDerWaalsContact C-N 3.26Å; L157-Q159 PolarHBondContact O-N 2.98Å; L157-L160 PolarHBondContact O-N 3.37Å; L157-L160 VanDerWaalsContact O-N 3.14Å; L157-R161 PolarHBondContact O-N 3.43Å; L157-M178 HydrophobicContact CB-CE 4.24Å; L157-M178 HydrophobicContact CD2-CE 4.26Å; L157-M178 HydrophobicContact CD2-SD 4.08Å; L157-M178 WeakPolarHBondContact O-CE 3.47Å; L157-S181 WeakPolarHBondContact CD1-O 3.5Å; L157-Y182 HydrophobicContact CB-CD1 4.11Å; L157-Y182 HydrophobicContact CB-CE1 3.63Å; L157-Y182 HydrophobicContact CD1-CD1 3.83Å; L157-Y182 HydrophobicContact CD1-CE1 4.23Å; L157-Y182 HydrophobicContact CD1-CG 4.4Å; L157-V185 HydrophobicContact CD1-CG2 3.85Å |
| 158 | N | 91.2 | Very high | 85.5 | Confident | 71 Ų | 71 | 75.6 Ų | 75.6 | 38% | 0.38 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64 | -31.4 | 176.5 | -66.6 | -24.8 | 0 | 0 | 0 | 112.7 | N154 N155 Y182 | N154-N158 VanDerWaalsContact O-CG 3.27Å; N154-N158 PolarHBondContact O-N 3.02Å; N154-N158 PolarHBondContact O-ND2 3.16Å; N155-N158 PolarHBondContact O-N 2.98Å; N158-Y182 WeakPolarHBondContact OD1-CE1 3.31Å; N158-Y182 PolarHBondContact OD1-OH 3.02Å |
| 159 | Q | 91.6 | Very high | 85.7 | Confident | 141 Ų | 141 | 71.1 Ų | 71.1 | 66% | 0.659 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -73.1 | -36 | 171.4 | -69.4 | 176.7 | -5.8 | 0 | 0 | 113.1 | N155 V156 L157 R161 S162 | N155-Q159 PolarHBondContact O-N 3.09Å; N155-Q159 VanDerWaalsContact O-N 3.12Å; V156-Q159 PolarHBondContact O-N 3.38Å; L157-Q159 VanDerWaalsContact C-N 3.26Å; L157-Q159 PolarHBondContact O-N 2.98Å; Q159-R161 VanDerWaalsContact C-N 3.34Å; Q159-S162 PolarHBondContact O-OG 3.36Å; Q159-S162 VanDerWaalsContact O-OG 3.11Å |
| 160 | L | 92 | Very high | 86.3 | Confident | 16 Ų | 16 | 64.7 Ų | 64.7 | 8% | 0.084 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -70.7 | -30.3 | 174.6 | -72.9 | 175.2 | 0 | 0 | 0 | 112 | F137 D140 L141 A144 V156 L157 S162 R163 M178 | F137-L160 HydrophobicContact CE2-CB 4.31Å; F137-L160 WeakPolarHBondContact CE2-O 3.32Å; D140-L160 HydrophobicContact CB-CD2 4.41Å; L141-L160 HydrophobicContact CB-CD1 4.32Å; L141-L160 HydrophobicContact CD1-CD1 3.76Å; A144-L160 HydrophobicContact CB-CD1 4.09Å; V156-L160 HydrophobicContact CG1-CD1 4.25Å; V156-L160 WeakPolarHBondContact O-CG 3.44Å; V156-L160 PolarHBondContact O-N 3.28Å; L157-L160 PolarHBondContact O-N 3.37Å; L157-L160 VanDerWaalsContact O-N 3.14Å; L160-S162 VanDerWaalsContact C-N 3.32Å; L160-S162 PolarHBondContact O-N 3.25Å; L160-R163 WeakPolarHBondContact O-CB 3.31Å; L160-R163 PolarHBondContact O-N 3.21Å; L160-M178 HydrophobicContact CB-CE 4.08Å |
| 161 | R | 92.4 | Very high | 86.9 | Confident | 51 Ų | 51 | 63.1 Ų | 63.1 | 19% | 0.192 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.1 | -39.8 | -179.4 | -178.7 | 176 | 168.6 | -177.7 | -2.6 | 113.2 | L157 Q159 R163 L164 M178 Y182 S193 D197 | L157-R161 PolarHBondContact O-N 3.43Å; Q159-R161 VanDerWaalsContact C-N 3.34Å; R161-R163 PolarHBondContact O-N 3.46Å; R161-R163 VanDerWaalsContact O-N 3.13Å; R161-L164 WeakPolarHBondContact O-CB 3.23Å; R161-L164 PolarHBondContact O-N 3.12Å; R161-M178 HydrophobicContact CB-CE 3.79Å; R161-Y182 WeakPolarHBondContact CD-OH 3.45Å; R161-S193 PolarHBondContact NH2-OG 2.97Å; R161-D197 IonicContact CZ-OD2 2.81Å; R161-D197 IonicContact NH2-OD2 3.59Å; R161-D197 PolarHBondContact NH2-OD2 3.44Å |
| 162 | S | 88.7 | Confident | 87.4 | Confident | 71 Ų | 71 | 58.2 Ų | 58.2 | 50% | 0.497 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -66.3 | -13 | 179 | 58.6 | 0 | 0 | 0 | 0 | 114 | Q159 L160 L164 D165 | Q159-S162 PolarHBondContact O-OG 3.36Å; Q159-S162 VanDerWaalsContact O-OG 3.11Å; L160-S162 VanDerWaalsContact C-N 3.32Å; L160-S162 PolarHBondContact O-N 3.25Å; S162-L164 VanDerWaalsContact C-N 3.29Å; S162-D165 WeakPolarHBondContact CA-OD2 3.47Å; S162-D165 WeakPolarHBondContact O-CB 3.48Å; S162-D165 PolarHBondContact O-N 3.02Å |
| 163 | R | 89.7 | Confident | 87.8 | Confident | 78 Ų | 78 | 54.1 Ų | 54.1 | 29% | 0.294 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -77.5 | -14.3 | 170.3 | -63.1 | 169.8 | 59.8 | 177.6 | -0.6 | 113 | F137 D140 L160 R161 D165 V169 | F137-R163 HydrophobicContact CD2-CB 4.03Å; F137-R163 HydrophobicContact CE2-CB 4.25Å; D140-R163 IonicContact OD2-CZ 3.98Å; D140-R163 IonicContact OD2-NH1 2.74Å; D140-R163 PolarHBondContact OD2-NH1 3.26Å; D140-R163 IonicContact OD2-NH2 2.7Å; D140-R163 PolarHBondContact OD2-NH2 3.41Å; L160-R163 WeakPolarHBondContact O-CB 3.31Å; L160-R163 PolarHBondContact O-N 3.21Å; R161-R163 PolarHBondContact O-N 3.46Å; R161-R163 VanDerWaalsContact O-N 3.13Å; R163-D165 VanDerWaalsContact C-N 3.27Å; R163-V169 WeakPolarHBondContact O-CB 3.38Å |
| 164 | L | 87.9 | Confident | 87.9 | Confident | 10 Ų | 10 | 54 Ų | 54 | 5% | 0.052 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -80.6 | -9.6 | 172.3 | -65.6 | 171.2 | 0 | 0 | 0 | 112.5 | F137 R161 S162 D166 V169 L170 M178 M194 | F137-L164 HydrophobicContact CE1-CD2 3.94Å; F137-L164 HydrophobicContact CE2-CD2 4.19Å; F137-L164 HydrophobicContact CE2-CG 4.13Å; F137-L164 HydrophobicContact CZ-CD1 4.16Å; F137-L164 HydrophobicContact CZ-CD2 3.76Å; F137-L164 HydrophobicContact CZ-CG 3.88Å; R161-L164 WeakPolarHBondContact O-CB 3.23Å; R161-L164 PolarHBondContact O-N 3.12Å; S162-L164 VanDerWaalsContact C-N 3.29Å; L164-D166 PolarHBondContact O-N 3.42Å; L164-V169 HydrophobicContact CD2-CG1 4.16Å; L164-L170 HydrophobicContact CB-CD1 4.39Å; L164-M178 HydrophobicContact CD1-CB 4.13Å; L164-M178 HydrophobicContact CD1-CG 3.92Å; L164-M194 HydrophobicContact CD1-SD 3.85Å |
| 165 | D | 84.5 | Confident | 88 | Confident | 131 Ų | 131 | 52.3 Ų | 52.3 | 70% | 0.701 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -69.6 | -16.1 | 171.4 | -56.7 | -25.3 | 0 | 0 | 0 | 111.5 | S162 R163 P167 | S162-D165 WeakPolarHBondContact CA-OD2 3.47Å; S162-D165 WeakPolarHBondContact O-CB 3.48Å; S162-D165 PolarHBondContact O-N 3.02Å; R163-D165 VanDerWaalsContact C-N 3.27Å; D165-P167 WeakPolarHBondContact O-CD 3.24Å |
| 166 | D | 82.7 | Confident | 88 | Confident | 66 Ų | 66 | 49.4 Ų | 49.4 | 35% | 0.353 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -76.6 | 117.1 | 172.3 | -173.1 | -15.4 | 0 | 0 | 0 | 110.8 | L164 D168 V169 L170 | L164-D166 PolarHBondContact O-N 3.42Å; D166-D168 PolarHBondContact O-N 3.28Å; D166-D168 VanDerWaalsContact O-N 3.15Å; D166-D168 WeakPolarHBondContact OD1-CB 3.44Å; D166-D168 PolarHBondContact OD1-N 3.37Å; D166-V169 HydrophobicContact CB-CB 4.24Å; D166-V169 HydrophobicContact CB-CG2 3.93Å; D166-V169 PolarHBondContact O-N 3.49Å; D166-L170 PolarHBondContact O-N 3.45Å |
| 167 | P | 80.7 | Confident | 88 | Confident | 105 Ų | 105 | 49.8 Ų | 49.8 | 68% | 0.682 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -28.5 | 177.5 | -23.2 | 33.9 | 0 | 0 | 0 | 113.8 | D165 V169 | D165-P167 WeakPolarHBondContact O-CD 3.24Å; P167-V169 VanDerWaalsContact C-N 3.28Å; P167-V169 PolarHBondContact O-N 2.74Å |
| 168 | D | 79.4 | Confident | 88 | Confident | 58 Ų | 58 | 49.8 Ų | 49.8 | 31% | 0.31 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -13.8 | -179.5 | -76 | -22.7 | 0 | 0 | 0 | 112.3 | S130 K134 D166 | S130-D168 PolarHBondContact OG-O 3.04Å; K134-D168 WeakPolarHBondContact CE-O 3.35Å; K134-D168 WeakPolarHBondContact CG-O 3.3Å; D166-D168 PolarHBondContact O-N 3.28Å; D166-D168 VanDerWaalsContact O-N 3.15Å; D166-D168 WeakPolarHBondContact OD1-CB 3.44Å; D166-D168 PolarHBondContact OD1-N 3.37Å |
| 169 | V | 84.2 | Confident | 88 | Confident | 6 Ų | 6 | 46.5 Ų | 46.5 | 4% | 0.036 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -31.1 | 172.9 | -175.2 | 0 | 0 | 0 | 0 | 112 | F137 R163 L164 D166 P167 S171 T174 | F137-V169 HydrophobicContact CB-CG1 3.69Å; F137-V169 HydrophobicContact CD1-CG1 4.2Å; F137-V169 HydrophobicContact CD2-CG1 4.05Å; F137-V169 HydrophobicContact CG-CG1 3.71Å; R163-V169 WeakPolarHBondContact O-CB 3.38Å; L164-V169 HydrophobicContact CD2-CG1 4.16Å; D166-V169 HydrophobicContact CB-CB 4.24Å; D166-V169 HydrophobicContact CB-CG2 3.93Å; D166-V169 PolarHBondContact O-N 3.49Å; P167-V169 VanDerWaalsContact C-N 3.28Å; P167-V169 PolarHBondContact O-N 2.74Å; V169-S171 PolarHBondContact O-N 3.1Å; V169-T174 HydrophobicContact CG1-CG2 4.42Å; V169-T174 WeakPolarHBondContact O-CG2 3.4Å; V169-T174 PolarHBondContact O-OG1 2.96Å |
| 170 | L | 87.5 | Confident | 87.9 | Confident | 36 Ų | 36 | 41.8 Ų | 41.8 | 19% | 0.188 | 23% | 0.231 | C | C | . | . | trans | -67 | 112.9 | -174.3 | -172.8 | 66.2 | 0 | 0 | 0 | 112.5 | L164 D166 V175 V198 L201 I206 | L164-L170 HydrophobicContact CB-CD1 4.39Å; D166-L170 PolarHBondContact O-N 3.45Å; L170-V175 HydrophobicContact CD1-CG2 3.76Å; L170-V198 HydrophobicContact CD1-CG2 4.46Å; L170-L201 HydrophobicContact CD2-CD1 3.5Å; L170-L201 VanDerWaalsContact CD2-CD1 3.5Å; L170-I206 HydrophobicContact CD2-CD1 4.17Å; L170-I206 HydrophobicContact CG-CD1 3.81Å | ||
| 171 | S | 85.9 | Confident | 87.8 | Confident | 15 Ų | 15 | 41 Ų | 41 | 11% | 0.105 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -155.5 | 169.9 | 177.5 | 57.9 | 0 | 0 | 0 | 0 | 112.1 | V169 D173 T174 V175 | V169-S171 PolarHBondContact O-N 3.1Å; S171-D173 VanDerWaalsContact C-N 3.3Å; S171-D173 WeakPolarHBondContact CB-OD1 3.38Å; S171-D173 PolarHBondContact O-N 3.49Å; S171-D173 PolarHBondContact OG-OD1 2.99Å; S171-T174 PolarHBondContact N-OG1 2.68Å; S171-T174 PolarHBondContact O-N 3.2Å; S171-T174 PolarHBondContact O-OG1 3.43Å; S171-T174 VanDerWaalsContact O-OG1 3.1Å; S171-T174 PolarHBondContact OG-OG1 3.33Å; S171-V175 WeakPolarHBondContact O-CB 3.2Å; S171-V175 VanDerWaalsContact O-CG2 3.27Å; S171-V175 WeakPolarHBondContact O-CG2 3.29Å; S171-V175 PolarHBondContact O-N 2.96Å |
| 172 | V | 86.3 | Confident | 87.8 | Confident | 52 Ų | 52 | 38.6 Ų | 38.6 | 32% | 0.315 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.2 | -40.6 | -176.1 | 175.8 | 0 | 0 | 0 | 0 | 111.5 | V176 I206 S209 V212 | V172-V176 HydrophobicContact CG1-CG2 4.36Å; V172-V176 VanDerWaalsContact O-CB 3.31Å; V172-V176 WeakPolarHBondContact O-CB 3.34Å; V172-V176 WeakPolarHBondContact O-CG2 3.48Å; V172-V176 PolarHBondContact O-N 3.16Å; V172-I206 HydrophobicContact CG2-CB 4.45Å; V172-I206 HydrophobicContact CG2-CG1 4.4Å; V172-I206 HydrophobicContact CG2-CG2 4.15Å; V172-S209 VanDerWaalsContact CG1-OG 3.29Å; V172-S209 WeakPolarHBondContact CG1-OG 3.3Å; V172-V212 HydrophobicContact CG1-CG2 4.4Å |
| 173 | D | 86.8 | Confident | 87.6 | Confident | 78 Ų | 78 | 38.1 Ų | 38.1 | 42% | 0.417 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -69.4 | -40.5 | 179.1 | 53.9 | -58 | 0 | 0 | 0 | 113.1 | S171 S177 | S171-D173 VanDerWaalsContact C-N 3.3Å; S171-D173 WeakPolarHBondContact CB-OD1 3.38Å; S171-D173 PolarHBondContact O-N 3.49Å; S171-D173 PolarHBondContact OG-OD1 2.99Å; D173-S177 VanDerWaalsContact O-CB 3.23Å; D173-S177 WeakPolarHBondContact O-CB 3.22Å; D173-S177 PolarHBondContact O-N 3.1Å; D173-S177 PolarHBondContact O-OG 2.86Å |
| 174 | T | 90.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.5 | -42.4 | 174.9 | 57.7 | 0 | 0 | 0 | 0 | 111.3 | K134 F137 L138 V169 S171 M178 | K134-T174 HydrophobicContact CB-CG2 4.42Å; K134-T174 HydrophobicContact CG-CG2 4.32Å; F137-T174 HydrophobicContact CD1-CG2 3.73Å; F137-T174 HydrophobicContact CE1-CG2 4.22Å; L138-T174 HydrophobicContact CD2-CG2 4.12Å; L138-T174 HydrophobicContact CG-CG2 4.13Å; V169-T174 HydrophobicContact CG1-CG2 4.42Å; V169-T174 WeakPolarHBondContact O-CG2 3.4Å; V169-T174 PolarHBondContact O-OG1 2.96Å; S171-T174 PolarHBondContact N-OG1 2.68Å; S171-T174 PolarHBondContact O-N 3.2Å; S171-T174 PolarHBondContact O-OG1 3.43Å; S171-T174 VanDerWaalsContact O-OG1 3.1Å; S171-T174 PolarHBondContact OG-OG1 3.33Å; T174-M178 WeakPolarHBondContact O-CB 3.34Å; T174-M178 PolarHBondContact O-N 2.82Å |
| 175 | V | 91.7 | Very high | 87 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.3 | -47.4 | 174.7 | 169.5 | 0 | 0 | 0 | 0 | 112.1 | L170 S171 M178 L179 M194 V198 I206 V212 | L170-V175 HydrophobicContact CD1-CG2 3.76Å; S171-V175 WeakPolarHBondContact O-CB 3.2Å; S171-V175 VanDerWaalsContact O-CG2 3.27Å; S171-V175 WeakPolarHBondContact O-CG2 3.29Å; S171-V175 PolarHBondContact O-N 2.96Å; V175-M178 PolarHBondContact O-N 2.75Å; V175-L179 HydrophobicContact CG1-CD1 4.05Å; V175-L179 HydrophobicContact CG1-CG 4.5Å; V175-L179 WeakPolarHBondContact O-CG 3.31Å; V175-L179 PolarHBondContact O-N 3.37Å; V175-M194 HydrophobicContact CG1-CE 4.17Å; V175-V198 HydrophobicContact CG2-CG2 4.44Å; V175-I206 HydrophobicContact CB-CG2 4.47Å; V175-I206 HydrophobicContact CG2-CG2 4.21Å; V175-V212 HydrophobicContact CG1-CG1 4.43Å; V175-V212 HydrophobicContact CG1-CG2 4.1Å |
| 176 | V | 89.2 | Confident | 87 | Confident | 23 Ų | 23 | 35 Ų | 35 | 14% | 0.139 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.6 | -42.8 | 178.8 | 168.6 | 0 | 0 | 0 | 0 | 111.4 | V172 M178 L179 L180 A211 V212 | V172-V176 HydrophobicContact CG1-CG2 4.36Å; V172-V176 VanDerWaalsContact O-CB 3.31Å; V172-V176 WeakPolarHBondContact O-CB 3.34Å; V172-V176 WeakPolarHBondContact O-CG2 3.48Å; V172-V176 PolarHBondContact O-N 3.16Å; V176-M178 VanDerWaalsContact C-N 3.26Å; V176-M178 PolarHBondContact O-N 2.79Å; V176-L179 PolarHBondContact O-N 3.3Å; V176-L180 HydrophobicContact CG1-CD1 4.04Å; V176-L180 HydrophobicContact CG1-CG 4.42Å; V176-L180 WeakPolarHBondContact O-CB 3.45Å; V176-L180 WeakPolarHBondContact O-CG 3.09Å; V176-L180 PolarHBondContact O-N 3.24Å; V176-A211 HydrophobicContact CG2-CB 3.85Å; V176-V212 HydrophobicContact CG2-CG2 3.87Å |
| 177 | S | 91.6 | Very high | 87.3 | Confident | 37 Ų | 37 | 33.7 Ų | 33.7 | 26% | 0.259 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -58.6 | -39.2 | 173.9 | -70.9 | 0 | 0 | 0 | 0 | 112.4 | L138 D173 S181 | L138-S177 WeakPolarHBondContact CD2-OG 3.14Å; D173-S177 VanDerWaalsContact O-CB 3.23Å; D173-S177 WeakPolarHBondContact O-CB 3.22Å; D173-S177 PolarHBondContact O-N 3.1Å; D173-S177 PolarHBondContact O-OG 2.86Å; S177-S181 WeakPolarHBondContact O-CB 3.48Å; S177-S181 PolarHBondContact O-N 3.44Å; S177-S181 VanDerWaalsContact O-N 3.09Å; S177-S181 PolarHBondContact O-OG 3.1Å |
| 178 | M | 94.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.6 | -43.7 | 176.6 | -164.4 | 64.4 | 166.7 | 0 | 0 | 112.4 | F137 L141 L157 L160 R161 L164 T174 V175 V176 L180 S181 Y182 M194 | F137-M178 HydrophobicContact CZ-SD 4.16Å; L141-M178 HydrophobicContact CD1-SD 3.77Å; L141-M178 HydrophobicContact CD2-SD 4.16Å; L157-M178 HydrophobicContact CB-CE 4.24Å; L157-M178 HydrophobicContact CD2-CE 4.26Å; L157-M178 HydrophobicContact CD2-SD 4.08Å; L157-M178 WeakPolarHBondContact O-CE 3.47Å; L160-M178 HydrophobicContact CB-CE 4.08Å; R161-M178 HydrophobicContact CB-CE 3.79Å; L164-M178 HydrophobicContact CD1-CB 4.13Å; L164-M178 HydrophobicContact CD1-CG 3.92Å; T174-M178 WeakPolarHBondContact O-CB 3.34Å; T174-M178 PolarHBondContact O-N 2.82Å; V175-M178 PolarHBondContact O-N 2.75Å; V176-M178 VanDerWaalsContact C-N 3.26Å; V176-M178 PolarHBondContact O-N 2.79Å; M178-L180 VanDerWaalsContact C-N 3.35Å; M178-L180 PolarHBondContact O-N 3.18Å; M178-S181 WeakPolarHBondContact O-CB 3.42Å; M178-S181 PolarHBondContact O-N 3.02Å; M178-S181 VanDerWaalsContact O-N 3.07Å; M178-Y182 HydrophobicContact CE-CE2 3.82Å; M178-Y182 HydrophobicContact CG-CD2 4.09Å; M178-Y182 HydrophobicContact CG-CE2 3.94Å; M178-Y182 PolarHBondContact O-N 3.4Å; M178-Y182 HydrophobicContact SD-CE2 4.5Å; M178-M194 HydrophobicContact CB-CE 4.03Å; M178-M194 HydrophobicContact CB-SD 4.16Å; M178-M194 HydrophobicContact CG-CE 4.12Å; M178-M194 HydrophobicContact CG-SD 3.7Å |
| 179 | L | 91.4 | Very high | 88.6 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.5 | -44.3 | 173.7 | -73.7 | 170.8 | 0 | 0 | 0 | 112 | V175 V176 S181 Y182 R183 M191 M194 V195 V212 H215 | V175-L179 HydrophobicContact CG1-CD1 4.05Å; V175-L179 HydrophobicContact CG1-CG 4.5Å; V175-L179 WeakPolarHBondContact O-CG 3.31Å; V175-L179 PolarHBondContact O-N 3.37Å; V176-L179 PolarHBondContact O-N 3.3Å; L179-S181 VanDerWaalsContact C-N 3.26Å; L179-S181 PolarHBondContact O-N 3.42Å; L179-Y182 PolarHBondContact O-N 3.17Å; L179-R183 WeakPolarHBondContact O-CB 3.48Å; L179-R183 PolarHBondContact O-N 3.41Å; L179-M191 HydrophobicContact CB-CE 4.08Å; L179-M191 HydrophobicContact CD2-CB 3.8Å; L179-M191 HydrophobicContact CD2-CE 3.97Å; L179-M191 HydrophobicContact CD2-CG 4.01Å; L179-M191 WeakPolarHBondContact O-CE 3.33Å; L179-M194 HydrophobicContact CD1-CE 4.47Å; L179-M194 HydrophobicContact CD2-CE 3.57Å; L179-M194 HydrophobicContact CG-CE 3.54Å; L179-V195 HydrophobicContact CD1-CG2 3.96Å; L179-V195 HydrophobicContact CD2-CG2 3.85Å; L179-V212 HydrophobicContact CD1-CG1 4.41Å; L179-H215 HydrophobicContact CB-CB 4.3Å; L179-H215 HydrophobicContact CD1-CB 3.85Å |
| 180 | L | 88 | Confident | 89.1 | Confident | 42 Ų | 42 | 28.6 Ų | 28.6 | 22% | 0.22 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.1 | -34.9 | 175 | -72.3 | 170.2 | 0 | 0 | 0 | 112.1 | R145 V176 M178 R183 D184 | R145-L180 PolarHBondContact NH2-O 3.43Å; V176-L180 HydrophobicContact CG1-CD1 4.04Å; V176-L180 HydrophobicContact CG1-CG 4.42Å; V176-L180 WeakPolarHBondContact O-CB 3.45Å; V176-L180 WeakPolarHBondContact O-CG 3.09Å; V176-L180 PolarHBondContact O-N 3.24Å; M178-L180 VanDerWaalsContact C-N 3.35Å; M178-L180 PolarHBondContact O-N 3.18Å; L180-R183 WeakPolarHBondContact O-CB 3.34Å; L180-R183 PolarHBondContact O-N 3.47Å; L180-D184 PolarHBondContact O-N 3.37Å |
| 181 | S | 91.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -74.4 | -41.3 | 179.6 | -53.5 | 0 | 0 | 0 | 0 | 112 | R145 L157 S177 M178 L179 R183 D184 | R145-S181 WeakPolarHBondContact CD-OG 3.25Å; R145-S181 PolarHBondContact NH1-OG 3.29Å; R145-S181 VanDerWaalsContact NH1-OG 3.16Å; L157-S181 WeakPolarHBondContact CD1-O 3.5Å; S177-S181 WeakPolarHBondContact O-CB 3.48Å; S177-S181 PolarHBondContact O-N 3.44Å; S177-S181 VanDerWaalsContact O-N 3.09Å; S177-S181 PolarHBondContact O-OG 3.1Å; M178-S181 WeakPolarHBondContact O-CB 3.42Å; M178-S181 PolarHBondContact O-N 3.02Å; M178-S181 VanDerWaalsContact O-N 3.07Å; L179-S181 VanDerWaalsContact C-N 3.26Å; L179-S181 PolarHBondContact O-N 3.42Å; S181-R183 VanDerWaalsContact C-N 3.28Å; S181-R183 PolarHBondContact O-N 3.18Å; S181-D184 WeakPolarHBondContact O-CB 3.41Å; S181-D184 PolarHBondContact O-N 3.11Å |
| 182 | Y | 92.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.4 | -32.2 | 170.8 | -80.8 | -55.1 | 0 | 0 | 0 | 112.8 | L157 N158 R161 M178 L179 D184 V185 Q186 N187 A190 M191 M194 | L157-Y182 HydrophobicContact CB-CD1 4.11Å; L157-Y182 HydrophobicContact CB-CE1 3.63Å; L157-Y182 HydrophobicContact CD1-CD1 3.83Å; L157-Y182 HydrophobicContact CD1-CE1 4.23Å; L157-Y182 HydrophobicContact CD1-CG 4.4Å; N158-Y182 WeakPolarHBondContact OD1-CE1 3.31Å; N158-Y182 PolarHBondContact OD1-OH 3.02Å; R161-Y182 WeakPolarHBondContact CD-OH 3.45Å; M178-Y182 HydrophobicContact CE-CE2 3.82Å; M178-Y182 HydrophobicContact CG-CD2 4.09Å; M178-Y182 HydrophobicContact CG-CE2 3.94Å; M178-Y182 PolarHBondContact O-N 3.4Å; M178-Y182 HydrophobicContact SD-CE2 4.5Å; L179-Y182 PolarHBondContact O-N 3.17Å; Y182-D184 VanDerWaalsContact C-N 3.35Å; Y182-V185 HydrophobicContact CD1-CG2 4.39Å; Y182-V185 CarbonylContact O-C 3.53Å; Y182-V185 VanDerWaalsContact O-CG2 3.26Å; Y182-V185 WeakPolarHBondContact O-CG2 3.45Å; Y182-V185 PolarHBondContact O-N 3.27Å; Y182-Q186 PolarHBondContact O-N 3.28Å; Y182-N187 HydrophobicContact CD1-CB 4Å; Y182-N187 PolarHBondContact O-N 3.12Å; Y182-A190 HydrophobicContact CD1-CB 3.87Å; Y182-A190 HydrophobicContact CD2-CB 4.29Å; Y182-A190 HydrophobicContact CE1-CB 3.63Å; Y182-A190 HydrophobicContact CE2-CB 4.07Å; Y182-A190 HydrophobicContact CG-CB 4.19Å; Y182-M191 HydrophobicContact CG-CG 4.46Å; Y182-M194 HydrophobicContact CE2-SD 4.29Å |
| 183 | R | 84.9 | Confident | 90.3 | Very high | 61 Ų | 61 | 25.7 Ų | 25.7 | 23% | 0.23 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.6 | -38 | 173.8 | -168.6 | -176.6 | 68.8 | 174.5 | 0.8 | 112.1 | L179 L180 S181 V185 Q186 M191 F218 | L179-R183 WeakPolarHBondContact O-CB 3.48Å; L179-R183 PolarHBondContact O-N 3.41Å; L180-R183 WeakPolarHBondContact O-CB 3.34Å; L180-R183 PolarHBondContact O-N 3.47Å; S181-R183 VanDerWaalsContact C-N 3.28Å; S181-R183 PolarHBondContact O-N 3.18Å; R183-V185 VanDerWaalsContact C-N 3.27Å; R183-V185 PolarHBondContact O-N 2.88Å; R183-Q186 PolarHBondContact O-N 3.13Å; R183-M191 HydrophobicContact CB-CE 4.24Å; R183-M191 HydrophobicContact CB-SD 3.99Å; R183-F218 HydrophobicContact CG-CE1 4.2Å |
| 184 | D | 80.1 | Confident | 90.6 | Very high | 64 Ų | 64 | 22.3 Ų | 22.3 | 34% | 0.342 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -60.3 | -36.1 | 177.3 | -67.8 | -5.5 | 0 | 0 | 0 | 112.3 | R145 F153 L180 S181 Y182 | R145-D184 IonicContact CZ-OD2 3.54Å; R145-D184 IonicContact NE-OD2 3.63Å; R145-D184 PolarHBondContact NE-OD2 3.08Å; R145-D184 IonicContact NH2-OD1 3.81Å; R145-D184 PolarHBondContact NH2-OD1 3.41Å; R145-D184 VanDerWaalsContact NH2-OD1 3.14Å; R145-D184 IonicContact NH2-OD2 2.67Å; R145-D184 PolarHBondContact NH2-OD2 3.07Å; F153-D184 HydrophobicContact CE1-CB 4.43Å; L180-D184 PolarHBondContact O-N 3.37Å; S181-D184 WeakPolarHBondContact O-CB 3.41Å; S181-D184 PolarHBondContact O-N 3.11Å; Y182-D184 VanDerWaalsContact C-N 3.35Å |
| 185 | V | 84.4 | Confident | 90.8 | Very high | 32 Ų | 32 | 22.3 Ų | 22.3 | 19% | 0.194 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 5.1 | 174.3 | -62.2 | 0 | 0 | 0 | 0 | 113.9 | F153 N154 L157 Y182 R183 N187 | F153-V185 HydrophobicContact CB-CG1 4.07Å; F153-V185 HydrophobicContact CD1-CG1 3.34Å; F153-V185 HydrophobicContact CE1-CG1 4.01Å; F153-V185 HydrophobicContact CG-CG1 4.03Å; N154-V185 HydrophobicContact CB-CG2 4.32Å; L157-V185 HydrophobicContact CD1-CG2 3.85Å; Y182-V185 HydrophobicContact CD1-CG2 4.39Å; Y182-V185 CarbonylContact O-C 3.53Å; Y182-V185 VanDerWaalsContact O-CG2 3.26Å; Y182-V185 WeakPolarHBondContact O-CG2 3.45Å; Y182-V185 PolarHBondContact O-N 3.27Å; R183-V185 VanDerWaalsContact C-N 3.27Å; R183-V185 PolarHBondContact O-N 2.88Å; V185-N187 HydrophobicContact CG2-CB 3.99Å; V185-N187 PolarHBondContact O-N 3.17Å |
| 186 | Q | 83.9 | Confident | 90.8 | Very high | 57 Ų | 57 | 25.3 Ų | 25.3 | 27% | 0.266 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 25.2 | -177.9 | -55.8 | 179.2 | 70.9 | 0 | 0 | 115.2 | Y182 R183 Y188 W370 | Y182-Q186 PolarHBondContact O-N 3.28Å; R183-Q186 PolarHBondContact O-N 3.13Å; Q186-Y188 HydrophobicContact CB-CE2 3.79Å; Q186-Y188 HydrophobicContact CG-CE2 4.42Å; Q186-Y188 WeakPolarHBondContact O-CD2 3.49Å; Q186-Y188 WeakPolarHBondContact O-CE2 3.48Å; Q186-Y188 PolarHBondContact O-N 3.26Å; Q186-W370 HydrophobicContact CG-CB 4.03Å; Q186-W370 HydrophobicContact CG-CG 4.39Å |
| 187 | N | 90 | Very high | 90.9 | Very high | 39 Ų | 39 | 28 Ų | 28 | 21% | 0.209 | 16% | 0.155 | C | C | . | . | trans | -82 | 67.5 | 178.8 | -168.6 | -9.3 | 0 | 0 | 0 | 111 | N154 Y182 V185 G189 A190 M191 | N154-N187 PolarHBondContact ND2-ND2 3.44Å; N154-N187 PolarHBondContact OD1-ND2 3.03Å; Y182-N187 HydrophobicContact CD1-CB 4Å; Y182-N187 PolarHBondContact O-N 3.12Å; V185-N187 HydrophobicContact CG2-CB 3.99Å; V185-N187 PolarHBondContact O-N 3.17Å; N187-G189 PolarHBondContact O-N 3.1Å; N187-A190 HydrophobicContact CB-CB 4.28Å; N187-A190 VanDerWaalsContact CG-CB 3.44Å; N187-A190 WeakPolarHBondContact ND2-CB 3.45Å; N187-A190 PolarHBondContact O-N 3.29Å; N187-A190 WeakPolarHBondContact OD1-CB 3.38Å; N187-A190 PolarHBondContact OD1-N 3.23Å; N187-M191 PolarHBondContact O-N 2.85Å; N187-M191 VanDerWaalsContact O-N 3.07Å | ||
| 188 | Y | 92.6 | Very high | 90.8 | Very high | 21 Ų | 21 | 26.6 Ų | 26.6 | 8% | 0.082 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.9 | -26.3 | -180 | -51.4 | -64 | 0 | 0 | 0 | 112.6 | Q186 M191 V192 F218 R222 | Q186-Y188 HydrophobicContact CB-CE2 3.79Å; Q186-Y188 HydrophobicContact CG-CE2 4.42Å; Q186-Y188 WeakPolarHBondContact O-CD2 3.49Å; Q186-Y188 WeakPolarHBondContact O-CE2 3.48Å; Q186-Y188 PolarHBondContact O-N 3.26Å; Y188-M191 HydrophobicContact CD1-SD 3.89Å; Y188-M191 HydrophobicContact CE1-SD 4.47Å; Y188-M191 PolarHBondContact O-N 3.39Å; Y188-V192 WeakPolarHBondContact O-CG2 3.47Å; Y188-V192 PolarHBondContact O-N 3.23Å; Y188-F218 HydrophobicContact CE1-CD1 4.49Å; Y188-F218 AromaticContact CE1-CE1 3.98Å; Y188-F218 HydrophobicContact CE1-CE1 3.98Å; Y188-R222 HydrophobicContact CD1-CB 3.69Å; Y188-R222 HydrophobicContact CD1-CG 4.36Å; Y188-R222 HydrophobicContact CD2-CB 3.69Å; Y188-R222 HydrophobicContact CE1-CB 3.72Å; Y188-R222 HydrophobicContact CE1-CG 3.98Å; Y188-R222 HydrophobicContact CE2-CB 3.73Å; Y188-R222 HydrophobicContact CE2-CG 4.47Å; Y188-R222 HydrophobicContact CG-CB 3.68Å |
| 189 | G | 94 | Very high | 90.7 | Very high | 33 Ų | 33 | 30.6 Ų | 30.6 | 34% | 0.34 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -62 | -48.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | N187 V192 S193 | N187-G189 PolarHBondContact O-N 3.1Å; G189-V192 PolarHBondContact O-N 3.47Å; G189-S193 WeakPolarHBondContact O-CB 3.33Å; G189-S193 PolarHBondContact O-N 2.73Å |
| 190 | A | 94.2 | Very high | 90.4 | Very high | 9 Ų | 9 | 35 Ų | 35 | 7% | 0.074 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.6 | -37.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y182 N187 M194 | Y182-A190 HydrophobicContact CD1-CB 3.87Å; Y182-A190 HydrophobicContact CD2-CB 4.29Å; Y182-A190 HydrophobicContact CE1-CB 3.63Å; Y182-A190 HydrophobicContact CE2-CB 4.07Å; Y182-A190 HydrophobicContact CG-CB 4.19Å; N187-A190 HydrophobicContact CB-CB 4.28Å; N187-A190 VanDerWaalsContact CG-CB 3.44Å; N187-A190 WeakPolarHBondContact ND2-CB 3.45Å; N187-A190 PolarHBondContact O-N 3.29Å; N187-A190 WeakPolarHBondContact OD1-CB 3.38Å; N187-A190 PolarHBondContact OD1-N 3.23Å; A190-M194 VanDerWaalsContact O-CB 3.27Å; A190-M194 WeakPolarHBondContact O-CB 3.48Å; A190-M194 PolarHBondContact O-N 3.49Å |
| 191 | M | 95.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.1 | -50.7 | 173.9 | -67.7 | -179.7 | 73.1 | 0 | 0 | 111.8 | L179 Y182 R183 N187 Y188 M194 V195 H215 A219 | L179-M191 HydrophobicContact CB-CE 4.08Å; L179-M191 HydrophobicContact CD2-CB 3.8Å; L179-M191 HydrophobicContact CD2-CE 3.97Å; L179-M191 HydrophobicContact CD2-CG 4.01Å; L179-M191 WeakPolarHBondContact O-CE 3.33Å; Y182-M191 HydrophobicContact CG-CG 4.46Å; R183-M191 HydrophobicContact CB-CE 4.24Å; R183-M191 HydrophobicContact CB-SD 3.99Å; N187-M191 PolarHBondContact O-N 2.85Å; N187-M191 VanDerWaalsContact O-N 3.07Å; Y188-M191 HydrophobicContact CD1-SD 3.89Å; Y188-M191 HydrophobicContact CE1-SD 4.47Å; Y188-M191 PolarHBondContact O-N 3.39Å; M191-M194 PolarHBondContact O-N 3.15Å; M191-V195 WeakPolarHBondContact O-CG2 3.28Å; M191-V195 PolarHBondContact O-N 3.42Å; M191-V195 VanDerWaalsContact O-N 3.15Å; M191-H215 HydrophobicContact CE-CB 4.34Å; M191-A219 HydrophobicContact CB-CB 3.66Å; M191-A219 HydrophobicContact CE-CB 4.02Å; M191-A219 HydrophobicContact CG-CB 4.48Å; M191-A219 HydrophobicContact SD-CB 4.06Å |
| 192 | V | 95.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.4 | -50.7 | -179.7 | 169 | 0 | 0 | 0 | 0 | 110.9 | Y188 G189 M194 V195 E196 Y216 A219 L220 R223 | Y188-V192 WeakPolarHBondContact O-CG2 3.47Å; Y188-V192 PolarHBondContact O-N 3.23Å; G189-V192 PolarHBondContact O-N 3.47Å; V192-M194 VanDerWaalsContact C-N 3.3Å; V192-M194 PolarHBondContact O-N 3.46Å; V192-V195 PolarHBondContact O-N 3.35Å; V192-V195 VanDerWaalsContact O-N 3.13Å; V192-E196 HydrophobicContact CG1-CG 4.18Å; V192-E196 VanDerWaalsContact CG1-OE2 3.28Å; V192-E196 WeakPolarHBondContact CG1-OE2 3.48Å; V192-E196 WeakPolarHBondContact O-CG 3.35Å; V192-E196 PolarHBondContact O-N 2.93Å; V192-Y216 HydrophobicContact CG1-CE2 4.1Å; V192-A219 HydrophobicContact CG2-CB 3.82Å; V192-L220 HydrophobicContact CG1-CD2 3.93Å; V192-L220 HydrophobicContact CG2-CD2 3.85Å; V192-L220 HydrophobicContact CG2-CG 4.05Å; V192-R223 VanDerWaalsContact CG1-CZ 3.43Å |
| 193 | S | 94.5 | Very high | 87.8 | Confident | 41 Ų | 41 | 50.3 Ų | 50.3 | 29% | 0.287 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -55.9 | -43.5 | 178.3 | 163.9 | 0 | 0 | 0 | 0 | 112.1 | R161 G189 V195 E196 D197 | R161-S193 PolarHBondContact NH2-OG 2.97Å; G189-S193 WeakPolarHBondContact O-CB 3.33Å; G189-S193 PolarHBondContact O-N 2.73Å; S193-V195 PolarHBondContact O-N 3Å; S193-E196 PolarHBondContact O-N 2.75Å; S193-D197 PolarHBondContact O-N 2.97Å |
| 194 | M | 93.4 | Very high | 86.8 | Confident | 8 Ų | 8 | 49.1 Ų | 49.1 | 4% | 0.039 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.4 | -33.7 | -179.9 | -168.3 | -174.9 | 71.4 | 0 | 0 | 112.8 | L164 V175 M178 L179 Y182 A190 M191 V192 V198 | L164-M194 HydrophobicContact CD1-SD 3.85Å; V175-M194 HydrophobicContact CG1-CE 4.17Å; M178-M194 HydrophobicContact CB-CE 4.03Å; M178-M194 HydrophobicContact CB-SD 4.16Å; M178-M194 HydrophobicContact CG-CE 4.12Å; M178-M194 HydrophobicContact CG-SD 3.7Å; L179-M194 HydrophobicContact CD1-CE 4.47Å; L179-M194 HydrophobicContact CD2-CE 3.57Å; L179-M194 HydrophobicContact CG-CE 3.54Å; Y182-M194 HydrophobicContact CE2-SD 4.29Å; A190-M194 VanDerWaalsContact O-CB 3.27Å; A190-M194 WeakPolarHBondContact O-CB 3.48Å; A190-M194 PolarHBondContact O-N 3.49Å; M191-M194 PolarHBondContact O-N 3.15Å; V192-M194 VanDerWaalsContact C-N 3.3Å; V192-M194 PolarHBondContact O-N 3.46Å; M194-V198 VanDerWaalsContact O-CG2 3.31Å; M194-V198 WeakPolarHBondContact O-CG2 3.25Å; M194-V198 PolarHBondContact O-N 2.97Å |
| 195 | V | 93.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -74.3 | -38.4 | 174 | -177.7 | 0 | 0 | 0 | 0 | 111.5 | L179 M191 V192 S193 D197 V198 E199 F207 V212 Y216 | L179-V195 HydrophobicContact CD1-CG2 3.96Å; L179-V195 HydrophobicContact CD2-CG2 3.85Å; M191-V195 WeakPolarHBondContact O-CG2 3.28Å; M191-V195 PolarHBondContact O-N 3.42Å; M191-V195 VanDerWaalsContact O-N 3.15Å; V192-V195 PolarHBondContact O-N 3.35Å; V192-V195 VanDerWaalsContact O-N 3.13Å; S193-V195 PolarHBondContact O-N 3Å; V195-D197 VanDerWaalsContact C-N 3.33Å; V195-D197 PolarHBondContact O-N 2.9Å; V195-V198 CarbonylContact O-C 3.59Å; V195-V198 PolarHBondContact O-N 3.21Å; V195-E199 WeakPolarHBondContact O-CB 3.33Å; V195-E199 PolarHBondContact O-N 2.9Å; V195-F207 HydrophobicContact CG1-CD2 3.63Å; V195-F207 HydrophobicContact CG1-CE2 3.74Å; V195-V212 HydrophobicContact CG1-CG1 3.98Å; V195-V212 HydrophobicContact CG2-CG1 4.14Å; V195-Y216 HydrophobicContact CB-CD2 3.92Å; V195-Y216 HydrophobicContact CB-CE2 4.32Å; V195-Y216 HydrophobicContact CB-CG 4.1Å; V195-Y216 HydrophobicContact CG1-CD1 3.87Å; V195-Y216 HydrophobicContact CG1-CD2 3.98Å; V195-Y216 HydrophobicContact CG1-CE1 4.25Å; V195-Y216 HydrophobicContact CG1-CE2 4.37Å; V195-Y216 HydrophobicContact CG1-CG 3.69Å; V195-Y216 HydrophobicContact CG2-CD2 4.44Å; V195-Y216 HydrophobicContact CG2-CG 4.48Å |
| 196 | E | 93 | Very high | 86.8 | Confident | 63 Ų | 63 | 54.6 Ų | 54.6 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.4 | -36.7 | 175.6 | -70.8 | 178 | 148.2 | 0 | 0 | 111.5 | V192 S193 E199 S200 Y216 K231 | V192-E196 HydrophobicContact CG1-CG 4.18Å; V192-E196 VanDerWaalsContact CG1-OE2 3.28Å; V192-E196 WeakPolarHBondContact CG1-OE2 3.48Å; V192-E196 WeakPolarHBondContact O-CG 3.35Å; V192-E196 PolarHBondContact O-N 2.93Å; S193-E196 PolarHBondContact O-N 2.75Å; E196-E199 PolarHBondContact O-N 2.9Å; E196-S200 PolarHBondContact O-N 3.41Å; E196-S200 VanDerWaalsContact O-N 3.14Å; E196-Y216 HydrophobicContact CG-CE2 4.09Å; E196-Y216 VanDerWaalsContact CG-OH 3.28Å; E196-Y216 WeakPolarHBondContact CG-OH 3.25Å; E196-Y216 PolarHBondContact OE1-OH 2.92Å; E196-K231 IonicContact OE1-NZ 3.56Å; E196-K231 PolarHBondContact OE1-NZ 3.48Å |
| 197 | D | 91.1 | Very high | 86.9 | Confident | 79 Ų | 79 | 52.6 Ų | 52.6 | 42% | 0.422 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62 | -46.1 | 170.8 | -63.8 | -19.3 | 0 | 0 | 0 | 111.2 | R161 S193 V195 E199 S200 | R161-D197 IonicContact CZ-OD2 2.81Å; R161-D197 IonicContact NH2-OD2 3.59Å; R161-D197 PolarHBondContact NH2-OD2 3.44Å; S193-D197 PolarHBondContact O-N 2.97Å; V195-D197 VanDerWaalsContact C-N 3.33Å; V195-D197 PolarHBondContact O-N 2.9Å; D197-E199 VanDerWaalsContact C-N 3.34Å; D197-E199 PolarHBondContact O-N 3.33Å; D197-S200 WeakPolarHBondContact O-CB 3.49Å; D197-S200 PolarHBondContact O-N 2.97Å; D197-S200 VanDerWaalsContact O-N 3.16Å; D197-S200 PolarHBondContact O-OG 3.44Å |
| 198 | V | 89.6 | Confident | 86.7 | Confident | 9 Ų | 9 | 56 Ų | 56 | 6% | 0.055 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.1 | -32.6 | 177.9 | 170 | 0 | 0 | 0 | 0 | 112.4 | L170 V175 M194 V195 S200 L201 I206 F207 | L170-V198 HydrophobicContact CD1-CG2 4.46Å; V175-V198 HydrophobicContact CG2-CG2 4.44Å; M194-V198 VanDerWaalsContact O-CG2 3.31Å; M194-V198 WeakPolarHBondContact O-CG2 3.25Å; M194-V198 PolarHBondContact O-N 2.97Å; V195-V198 CarbonylContact O-C 3.59Å; V195-V198 PolarHBondContact O-N 3.21Å; V198-S200 VanDerWaalsContact C-N 3.27Å; V198-S200 PolarHBondContact O-N 3.34Å; V198-L201 PolarHBondContact O-N 3.5Å; V198-I206 HydrophobicContact CG1-CB 3.84Å; V198-I206 HydrophobicContact CG1-CG2 3.73Å; V198-F207 HydrophobicContact CG1-CB 4.43Å |
| 199 | E | 90.4 | Very high | 86.5 | Confident | 84 Ų | 84 | 56.4 Ų | 56.4 | 39% | 0.393 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.3 | -32.2 | 172.8 | -171.2 | 171.6 | -164.9 | 0 | 0 | 111.5 | V195 E196 D197 L201 F207 Y216 | V195-E199 WeakPolarHBondContact O-CB 3.33Å; V195-E199 PolarHBondContact O-N 2.9Å; E196-E199 PolarHBondContact O-N 2.9Å; D197-E199 VanDerWaalsContact C-N 3.34Å; D197-E199 PolarHBondContact O-N 3.33Å; E199-L201 VanDerWaalsContact C-N 3.3Å; E199-L201 PolarHBondContact O-N 3.4Å; E199-F207 HydrophobicContact CB-CD2 3.66Å; E199-F207 HydrophobicContact CB-CE2 3.9Å; E199-F207 HydrophobicContact CB-CG 4.06Å; E199-F207 HydrophobicContact CG-CD1 4.17Å; E199-F207 HydrophobicContact CG-CD2 3.91Å; E199-F207 HydrophobicContact CG-CE1 4.11Å; E199-F207 HydrophobicContact CG-CE2 3.83Å; E199-F207 HydrophobicContact CG-CG 4.08Å; E199-F207 HydrophobicContact CG-CZ 3.93Å; E199-F207 VanDerWaalsContact OE1-CZ 3.26Å; E199-F207 WeakPolarHBondContact OE1-CZ 3.42Å; E199-Y216 PolarHBondContact OE2-OH 3.32Å |
| 200 | S | 87 | Confident | 86.2 | Confident | 94 Ų | 94 | 56.3 Ų | 56.3 | 66% | 0.657 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -15.2 | 177.9 | 83.1 | 0 | 0 | 0 | 0 | 114.7 | E196 D197 V198 | E196-S200 PolarHBondContact O-N 3.41Å; E196-S200 VanDerWaalsContact O-N 3.14Å; D197-S200 WeakPolarHBondContact O-CB 3.49Å; D197-S200 PolarHBondContact O-N 2.97Å; D197-S200 VanDerWaalsContact O-N 3.16Å; D197-S200 PolarHBondContact O-OG 3.44Å; V198-S200 VanDerWaalsContact C-N 3.27Å; V198-S200 PolarHBondContact O-N 3.34Å |
| 201 | L | 83.8 | Confident | 85.8 | Confident | 69 Ų | 69 | 57.8 Ų | 57.8 | 36% | 0.361 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -74.9 | 142.1 | -177.2 | -66 | 174.9 | 0 | 0 | 0 | 111.8 | L170 V198 E199 Q203 | L170-L201 HydrophobicContact CD2-CD1 3.5Å; L170-L201 VanDerWaalsContact CD2-CD1 3.5Å; V198-L201 PolarHBondContact O-N 3.5Å; E199-L201 VanDerWaalsContact C-N 3.3Å; E199-L201 PolarHBondContact O-N 3.4Å; L201-Q203 PolarHBondContact O-N 2.71Å |
| 202 | P | 70.1 | Confident | 85.6 | Confident | 135 Ų | 135 | 57.8 Ų | 57.8 | 88% | 0.877 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -64.4 | -6.4 | -179.3 | 23.4 | -31.9 | 0 | 0 | 0 | 114.6 | ||
| 203 | Q | 62.2 | Low | 85.5 | Confident | 159 Ų | 159 | 59 Ų | 59 | 74% | 0.743 | 32% | 0.324 | S | S | * | . | trans | -108.9 | 61.7 | 176.2 | -60.2 | -171.9 | 15.1 | 0 | 0 | 111.5 | L201 K205 | L201-Q203 PolarHBondContact O-N 2.71Å; Q203-K205 PolarHBondContact O-N 2.85Å | ||
| 204 | A | 64.5 | Low | 85.3 | Confident | 36 Ų | 36 | 58.8 Ų | 58.8 | 30% | 0.298 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 117 | I206 F207 H208 | A204-I206 VanDerWaalsContact C-N 3.26Å; A204-I206 PolarHBondContact O-N 2.74Å; A204-F207 PolarHBondContact O-N 3.46Å; A204-H208 PolarHBondContact O-CD2 2.99Å; A204-H208 PolarHBondContact O-N 3.25Å |
| 205 | K | 79.4 | Confident | 85.2 | Confident | 187 Ų | 187 | 59.2 Ų | 59.2 | 81% | 0.813 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -34.6 | 175.1 | -76.5 | -172.3 | 174.9 | -177.7 | 0 | 113.7 | Q203 | Q203-K205 PolarHBondContact O-N 2.85Š|
| 206 | I | 84.2 | Confident | 85.4 | Confident | 24 Ų | 24 | 59.2 Ų | 59.2 | 12% | 0.123 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -46.6 | 179.2 | -57.2 | -179.8 | 0 | 0 | 0 | 109.9 | L170 V172 V175 V198 A204 H208 S209 | L170-I206 HydrophobicContact CD2-CD1 4.17Å; L170-I206 HydrophobicContact CG-CD1 3.81Å; V172-I206 HydrophobicContact CG2-CB 4.45Å; V172-I206 HydrophobicContact CG2-CG1 4.4Å; V172-I206 HydrophobicContact CG2-CG2 4.15Å; V175-I206 HydrophobicContact CB-CG2 4.47Å; V175-I206 HydrophobicContact CG2-CG2 4.21Å; V198-I206 HydrophobicContact CG1-CB 3.84Å; V198-I206 HydrophobicContact CG1-CG2 3.73Å; A204-I206 VanDerWaalsContact C-N 3.26Å; A204-I206 PolarHBondContact O-N 2.74Å; I206-H208 VanDerWaalsContact C-N 3.35Å; I206-H208 PolarHBondContact O-N 3.41Å; I206-S209 VanDerWaalsContact O-CB 3.22Å; I206-S209 WeakPolarHBondContact O-CB 3.46Å; I206-S209 PolarHBondContact O-N 3.03Å |
| 207 | F | 86.5 | Confident | 85.5 | Confident | 15 Ų | 15 | 56.2 Ų | 56.2 | 7% | 0.066 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -41.6 | 176.4 | 176.3 | -100.4 | 0 | 0 | 0 | 112.6 | V195 V198 E199 A204 S209 Q213 Y216 | V195-F207 HydrophobicContact CG1-CD2 3.63Å; V195-F207 HydrophobicContact CG1-CE2 3.74Å; V198-F207 HydrophobicContact CG1-CB 4.43Å; E199-F207 HydrophobicContact CB-CD2 3.66Å; E199-F207 HydrophobicContact CB-CE2 3.9Å; E199-F207 HydrophobicContact CB-CG 4.06Å; E199-F207 HydrophobicContact CG-CD1 4.17Å; E199-F207 HydrophobicContact CG-CD2 3.91Å; E199-F207 HydrophobicContact CG-CE1 4.11Å; E199-F207 HydrophobicContact CG-CE2 3.83Å; E199-F207 HydrophobicContact CG-CG 4.08Å; E199-F207 HydrophobicContact CG-CZ 3.93Å; E199-F207 VanDerWaalsContact OE1-CZ 3.26Å; E199-F207 WeakPolarHBondContact OE1-CZ 3.42Å; A204-F207 PolarHBondContact O-N 3.46Å; F207-S209 PolarHBondContact O-N 2.84Å; F207-S209 VanDerWaalsContact O-N 3.17Å; F207-Q213 WeakPolarHBondContact O-CG 3.33Å; F207-Y216 AromaticContact CE2-CD1 3.82Å; F207-Y216 HydrophobicContact CE2-CD1 3.82Å; F207-Y216 AromaticContact CE2-CE1 3.62Å; F207-Y216 HydrophobicContact CE2-CE1 3.62Å; F207-Y216 HydrophobicContact CZ-CD1 4.3Å; F207-Y216 AromaticContact CZ-CE1 3.98Å; F207-Y216 HydrophobicContact CZ-CE1 3.98Å |
| 208 | H | 86 | Confident | 85.5 | Confident | 111 Ų | 111 | 53.6 Ų | 53.6 | 51% | 0.514 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 4.2 | 178.6 | -63.5 | -47.4 | 0 | 0 | 0 | 115 | A204 I206 | A204-H208 PolarHBondContact O-CD2 2.99Å; A204-H208 PolarHBondContact O-N 3.25Å; I206-H208 VanDerWaalsContact C-N 3.35Å; I206-H208 PolarHBondContact O-N 3.41Å |
| 209 | S | 87.8 | Confident | 85.8 | Confident | 28 Ų | 28 | 53.1 Ų | 53.1 | 20% | 0.196 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -69.4 | 129.9 | 171.2 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | V172 I206 F207 A211 V212 Q213 | V172-S209 VanDerWaalsContact CG1-OG 3.29Å; V172-S209 WeakPolarHBondContact CG1-OG 3.3Å; I206-S209 VanDerWaalsContact O-CB 3.22Å; I206-S209 WeakPolarHBondContact O-CB 3.46Å; I206-S209 PolarHBondContact O-N 3.03Å; F207-S209 PolarHBondContact O-N 2.84Å; F207-S209 VanDerWaalsContact O-N 3.17Å; S209-A211 PolarHBondContact O-N 3.16Å; S209-A211 VanDerWaalsContact O-N 3.12Å; S209-V212 PolarHBondContact O-N 2.98Å; S209-Q213 PolarHBondContact O-N 3.36Å; S209-Q213 VanDerWaalsContact O-N 3.09Å |
| 210 | S | 87.8 | Confident | 86 | Confident | 32 Ų | 32 | 49.1 Ų | 49.1 | 22% | 0.224 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.7 | -33.3 | -177.5 | -66.8 | 0 | 0 | 0 | 0 | 113.5 | F214 N245 | S210-F214 VanDerWaalsContact O-CB 3.3Å; S210-F214 WeakPolarHBondContact O-CB 3.47Å; S210-F214 PolarHBondContact O-N 3.28Å; S210-N245 PolarHBondContact OG-OD1 3.18Å; S210-N245 VanDerWaalsContact OG-OD1 3.07Å |
| 211 | A | 87.1 | Confident | 86.4 | Confident | 40 Ų | 40 | 44.7 Ų | 44.7 | 33% | 0.331 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68.7 | -37.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V176 S209 H215 | V176-A211 HydrophobicContact CG2-CB 3.85Å; S209-A211 PolarHBondContact O-N 3.16Å; S209-A211 VanDerWaalsContact O-N 3.12Å; A211-H215 PolarHBondContact O-CD2 3.16Å; A211-H215 PolarHBondContact O-N 3.28Å |
| 212 | V | 89.8 | Confident | 86.6 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.4 | -47.6 | 178.9 | 177.4 | 0 | 0 | 0 | 0 | 109.9 | V172 V175 V176 L179 V195 S209 F214 H215 Y216 | V172-V212 HydrophobicContact CG1-CG2 4.4Å; V175-V212 HydrophobicContact CG1-CG1 4.43Å; V175-V212 HydrophobicContact CG1-CG2 4.1Å; V176-V212 HydrophobicContact CG2-CG2 3.87Å; L179-V212 HydrophobicContact CD1-CG1 4.41Å; V195-V212 HydrophobicContact CG1-CG1 3.98Å; V195-V212 HydrophobicContact CG2-CG1 4.14Å; S209-V212 PolarHBondContact O-N 2.98Å; V212-F214 VanDerWaalsContact C-N 3.35Å; V212-F214 PolarHBondContact O-N 3.04Å; V212-H215 PolarHBondContact O-N 3.18Å; V212-Y216 WeakPolarHBondContact O-CB 3.34Å; V212-Y216 PolarHBondContact O-N 3.32Å |
| 213 | Q | 93.1 | Very high | 87.7 | Confident | 24 Ų | 24 | 41.8 Ų | 41.8 | 11% | 0.112 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.1 | -37.8 | 178.3 | -61.6 | -166.1 | -50 | 0 | 0 | 112.8 | F207 S209 Y216 A217 V235 M239 | F207-Q213 WeakPolarHBondContact O-CG 3.33Å; S209-Q213 PolarHBondContact O-N 3.36Å; S209-Q213 VanDerWaalsContact O-N 3.09Å; Q213-Y216 PolarHBondContact O-N 3.15Å; Q213-A217 WeakPolarHBondContact O-CB 3.49Å; Q213-A217 PolarHBondContact O-N 2.98Å; Q213-V235 HydrophobicContact CB-CG1 4.09Å; Q213-M239 HydrophobicContact CB-CE 3.82Å; Q213-M239 HydrophobicContact CB-CG 4.48Å; Q213-M239 HydrophobicContact CB-SD 3.38Å; Q213-M239 WeakPolarHBondContact CB-SD 3.34Å; Q213-M239 HydrophobicContact CG-SD 4.44Å |
| 214 | F | 90.8 | Very high | 89 | Confident | 37 Ų | 37 | 36.7 Ų | 36.7 | 16% | 0.162 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.7 | -50 | 173.1 | 178.1 | -90.2 | 0 | 0 | 0 | 112 | S210 V212 Y216 A217 F218 I236 D249 F250 L253 | S210-F214 VanDerWaalsContact O-CB 3.3Å; S210-F214 WeakPolarHBondContact O-CB 3.47Å; S210-F214 PolarHBondContact O-N 3.28Å; V212-F214 VanDerWaalsContact C-N 3.35Å; V212-F214 PolarHBondContact O-N 3.04Å; F214-Y216 VanDerWaalsContact C-N 3.29Å; F214-Y216 PolarHBondContact O-N 3.47Å; F214-A217 PolarHBondContact O-N 2.93Å; F214-F218 WeakPolarHBondContact O-CB 3.4Å; F214-F218 PolarHBondContact O-N 3.15Å; F214-I236 HydrophobicContact CD2-CD1 4.48Å; F214-D249 HydrophobicContact CE2-CB 4.13Å; F214-D249 HydrophobicContact CZ-CB 4.31Å; F214-F250 HydrophobicContact CB-CE1 3.94Å; F214-F250 HydrophobicContact CB-CZ 3.85Å; F214-F250 HydrophobicContact CD2-CD1 4.07Å; F214-F250 HydrophobicContact CD2-CD2 4.09Å; F214-F250 AromaticContact CD2-CE1 3.91Å; F214-F250 HydrophobicContact CD2-CE1 3.91Å; F214-F250 AromaticContact CD2-CE2 3.98Å; F214-F250 HydrophobicContact CD2-CE2 3.98Å; F214-F250 HydrophobicContact CD2-CG 4.14Å; F214-F250 AromaticContact CD2-CZ 3.89Å; F214-F250 HydrophobicContact CD2-CZ 3.89Å; F214-F250 HydrophobicContact CE2-CD2 4.42Å; F214-F250 HydrophobicContact CG-CE1 4.38Å; F214-F250 HydrophobicContact CG-CZ 4.18Å; F214-L253 HydrophobicContact CD2-CD2 3.56Å; F214-L253 HydrophobicContact CE2-CB 3.85Å; F214-L253 HydrophobicContact CE2-CD2 3.5Å; F214-L253 HydrophobicContact CE2-CG 4.3Å; F214-L253 HydrophobicContact CG-CD2 4.14Å; F214-L253 HydrophobicContact CZ-CB 4.47Å; F214-L253 HydrophobicContact CZ-CD2 4.04Å |
| 215 | H | 92.5 | Very high | 90.2 | Very high | 17 Ų | 17 | 40.5 Ų | 40.5 | 8% | 0.079 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.1 | -30.3 | 178.5 | -77.3 | -51 | 0 | 0 | 0 | 113.1 | L179 M191 A211 V212 A219 | L179-H215 HydrophobicContact CB-CB 4.3Å; L179-H215 HydrophobicContact CD1-CB 3.85Å; M191-H215 HydrophobicContact CE-CB 4.34Å; A211-H215 PolarHBondContact O-CD2 3.16Å; A211-H215 PolarHBondContact O-N 3.28Å; V212-H215 PolarHBondContact O-N 3.18Å; H215-A219 VanDerWaalsContact O-CB 3.3Å; H215-A219 WeakPolarHBondContact O-CB 3.32Å; H215-A219 PolarHBondContact O-N 3.14Å |
| 216 | Y | 95.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 0% | 0.004 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.1 | -51.3 | 173.9 | -179.5 | -146.5 | 0 | 0 | 0 | 112.3 | V192 V195 E196 E199 F207 V212 Q213 F214 F218 A219 L220 K231 V235 | V192-Y216 HydrophobicContact CG1-CE2 4.1Å; V195-Y216 HydrophobicContact CB-CD2 3.92Å; V195-Y216 HydrophobicContact CB-CE2 4.32Å; V195-Y216 HydrophobicContact CB-CG 4.1Å; V195-Y216 HydrophobicContact CG1-CD1 3.87Å; V195-Y216 HydrophobicContact CG1-CD2 3.98Å; V195-Y216 HydrophobicContact CG1-CE1 4.25Å; V195-Y216 HydrophobicContact CG1-CE2 4.37Å; V195-Y216 HydrophobicContact CG1-CG 3.69Å; V195-Y216 HydrophobicContact CG2-CD2 4.44Å; V195-Y216 HydrophobicContact CG2-CG 4.48Å; E196-Y216 HydrophobicContact CG-CE2 4.09Å; E196-Y216 VanDerWaalsContact CG-OH 3.28Å; E196-Y216 WeakPolarHBondContact CG-OH 3.25Å; E196-Y216 PolarHBondContact OE1-OH 2.92Å; E199-Y216 PolarHBondContact OE2-OH 3.32Å; F207-Y216 AromaticContact CE2-CD1 3.82Å; F207-Y216 HydrophobicContact CE2-CD1 3.82Å; F207-Y216 AromaticContact CE2-CE1 3.62Å; F207-Y216 HydrophobicContact CE2-CE1 3.62Å; F207-Y216 HydrophobicContact CZ-CD1 4.3Å; F207-Y216 AromaticContact CZ-CE1 3.98Å; F207-Y216 HydrophobicContact CZ-CE1 3.98Å; V212-Y216 WeakPolarHBondContact O-CB 3.34Å; V212-Y216 PolarHBondContact O-N 3.32Å; Q213-Y216 PolarHBondContact O-N 3.15Å; F214-Y216 VanDerWaalsContact C-N 3.29Å; F214-Y216 PolarHBondContact O-N 3.47Å; Y216-F218 VanDerWaalsContact C-N 3.27Å; Y216-F218 PolarHBondContact O-N 3.48Å; Y216-A219 PolarHBondContact O-N 3.31Å; Y216-A219 VanDerWaalsContact O-N 3.09Å; Y216-L220 HydrophobicContact CD1-CD1 4.39Å; Y216-L220 HydrophobicContact CD2-CD1 3.87Å; Y216-L220 HydrophobicContact CD2-CG 3.9Å; Y216-L220 HydrophobicContact CE1-CD1 4.24Å; Y216-L220 HydrophobicContact CE2-CD1 3.66Å; Y216-L220 HydrophobicContact CE2-CD2 4.01Å; Y216-L220 HydrophobicContact CE2-CG 3.78Å; Y216-L220 HydrophobicContact CG-CD1 4.25Å; Y216-L220 WeakPolarHBondContact O-CB 3.48Å; Y216-L220 WeakPolarHBondContact O-CG 3.24Å; Y216-L220 PolarHBondContact O-N 3.13Å; Y216-K231 WeakPolarHBondContact OH-CE 3.43Å; Y216-K231 PolarHBondContact OH-NZ 3.38Å; Y216-V235 HydrophobicContact CD1-CG2 4.48Å; Y216-V235 HydrophobicContact CE1-CG2 4.48Å |
| 217 | A | 95.3 | Very high | 91 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.3 | -39.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q213 F214 N221 A232 V235 I236 L253 | Q213-A217 WeakPolarHBondContact O-CB 3.49Å; Q213-A217 PolarHBondContact O-N 2.98Å; F214-A217 PolarHBondContact O-N 2.93Å; A217-N221 WeakPolarHBondContact O-CB 3.29Å; A217-N221 PolarHBondContact O-N 3.42Å; A217-N221 VanDerWaalsContact O-N 3.12Å; A217-A232 HydrophobicContact CB-CB 4.42Å; A217-A232 WeakPolarHBondContact O-CB 3.37Å; A217-V235 HydrophobicContact CB-CB 4.28Å; A217-V235 HydrophobicContact CB-CG1 4.04Å; A217-I236 HydrophobicContact CB-CB 4.45Å; A217-L253 HydrophobicContact CB-CD2 4.22Å |
| 218 | F | 92.9 | Very high | 91.4 | Very high | 23 Ų | 23 | 38.9 Ų | 38.9 | 10% | 0.101 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.7 | -49.5 | 171.6 | -175 | -86.4 | 0 | 0 | 0 | 111.9 | R183 Y188 F214 Y216 N221 R222 L253 | R183-F218 HydrophobicContact CG-CE1 4.2Å; Y188-F218 HydrophobicContact CE1-CD1 4.49Å; Y188-F218 AromaticContact CE1-CE1 3.98Å; Y188-F218 HydrophobicContact CE1-CE1 3.98Å; F214-F218 WeakPolarHBondContact O-CB 3.4Å; F214-F218 PolarHBondContact O-N 3.15Å; Y216-F218 VanDerWaalsContact C-N 3.27Å; Y216-F218 PolarHBondContact O-N 3.48Å; F218-N221 PolarHBondContact O-N 2.99Å; F218-R222 HydrophobicContact CD1-CG 4.1Å; F218-R222 HydrophobicContact CE1-CG 3.8Å; F218-R222 HydrophobicContact CZ-CG 4.11Å; F218-R222 VanDerWaalsContact O-CG 3.28Å; F218-R222 WeakPolarHBondContact O-CG 3.27Å; F218-R222 PolarHBondContact O-N 2.82Å; F218-R222 VanDerWaalsContact O-N 3.09Å; F218-L253 HydrophobicContact CB-CD1 4.34Å; F218-L253 HydrophobicContact CB-CD2 4.37Å; F218-L253 HydrophobicContact CD2-CD1 4.01Å |
| 219 | A | 94.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.5 | -43.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | M191 V192 H215 Y216 R222 R223 | M191-A219 HydrophobicContact CB-CB 3.66Å; M191-A219 HydrophobicContact CE-CB 4.02Å; M191-A219 HydrophobicContact CG-CB 4.48Å; M191-A219 HydrophobicContact SD-CB 4.06Å; V192-A219 HydrophobicContact CG2-CB 3.82Å; H215-A219 VanDerWaalsContact O-CB 3.3Å; H215-A219 WeakPolarHBondContact O-CB 3.32Å; H215-A219 PolarHBondContact O-N 3.14Å; Y216-A219 PolarHBondContact O-N 3.31Å; Y216-A219 VanDerWaalsContact O-N 3.09Å; A219-R222 CarbonylContact O-C 3.52Å; A219-R222 PolarHBondContact O-N 3.14Å; A219-R223 WeakPolarHBondContact O-CB 3.48Å; A219-R223 PolarHBondContact O-N 3.18Å |
| 220 | L | 95.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -55.8 | -53.5 | 173.9 | -74.4 | 169.8 | 0 | 0 | 0 | 111.1 | V192 Y216 R222 R223 N224 D228 K231 A232 | V192-L220 HydrophobicContact CG1-CD2 3.93Å; V192-L220 HydrophobicContact CG2-CD2 3.85Å; V192-L220 HydrophobicContact CG2-CG 4.05Å; Y216-L220 HydrophobicContact CD1-CD1 4.39Å; Y216-L220 HydrophobicContact CD2-CD1 3.87Å; Y216-L220 HydrophobicContact CD2-CG 3.9Å; Y216-L220 HydrophobicContact CE1-CD1 4.24Å; Y216-L220 HydrophobicContact CE2-CD1 3.66Å; Y216-L220 HydrophobicContact CE2-CD2 4.01Å; Y216-L220 HydrophobicContact CE2-CG 3.78Å; Y216-L220 HydrophobicContact CG-CD1 4.25Å; Y216-L220 WeakPolarHBondContact O-CB 3.48Å; Y216-L220 WeakPolarHBondContact O-CG 3.24Å; Y216-L220 PolarHBondContact O-N 3.13Å; L220-R222 PolarHBondContact O-N 3.33Å; L220-R223 PolarHBondContact O-N 3.26Å; L220-R223 VanDerWaalsContact O-N 3.13Å; L220-N224 PolarHBondContact O-N 2.98Å; L220-D228 HydrophobicContact CB-CB 4.39Å; L220-D228 HydrophobicContact CD2-CB 4.33Å; L220-D228 VanDerWaalsContact CD2-OD1 3.28Å; L220-D228 WeakPolarHBondContact CD2-OD1 3.39Å; L220-D228 WeakPolarHBondContact O-CB 3.39Å; L220-K231 HydrophobicContact CD1-CB 4.21Å; L220-K231 HydrophobicContact CD1-CD 4.09Å; L220-K231 HydrophobicContact CD1-CG 3.95Å; L220-K231 HydrophobicContact CD2-CD 4.26Å; L220-A232 HydrophobicContact CB-CB 3.81Å; L220-A232 HydrophobicContact CD1-CB 4.4Å |
| 221 | N | 93.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.9 | -30.6 | 178.5 | 176.5 | 53.9 | 0 | 0 | 0 | 113.7 | A217 F218 R229 A232 I257 D260 | A217-N221 WeakPolarHBondContact O-CB 3.29Å; A217-N221 PolarHBondContact O-N 3.42Å; A217-N221 VanDerWaalsContact O-N 3.12Å; F218-N221 PolarHBondContact O-N 2.99Å; N221-R229 WeakPolarHBondContact OD1-CD 3.35Å; N221-R229 WeakPolarHBondContact OD1-CG 3.39Å; N221-R229 PolarHBondContact OD1-NE 2.68Å; N221-A232 HydrophobicContact CB-CB 4.24Å; N221-I257 HydrophobicContact CB-CG1 3.88Å; N221-D260 PolarHBondContact ND2-OD2 3.45Å |
| 222 | R | 89.6 | Confident | 92.7 | Very high | 69 Ų | 69 | 36.4 Ų | 36.4 | 26% | 0.26 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -84.6 | -25.3 | 177.2 | -64.4 | -54.9 | -61.3 | 159.6 | 0.7 | 113.9 | Y188 F218 A219 L220 D260 | Y188-R222 HydrophobicContact CD1-CB 3.69Å; Y188-R222 HydrophobicContact CD1-CG 4.36Å; Y188-R222 HydrophobicContact CD2-CB 3.69Å; Y188-R222 HydrophobicContact CE1-CB 3.72Å; Y188-R222 HydrophobicContact CE1-CG 3.98Å; Y188-R222 HydrophobicContact CE2-CB 3.73Å; Y188-R222 HydrophobicContact CE2-CG 4.47Å; Y188-R222 HydrophobicContact CG-CB 3.68Å; F218-R222 HydrophobicContact CD1-CG 4.1Å; F218-R222 HydrophobicContact CE1-CG 3.8Å; F218-R222 HydrophobicContact CZ-CG 4.11Å; F218-R222 VanDerWaalsContact O-CG 3.28Å; F218-R222 WeakPolarHBondContact O-CG 3.27Å; F218-R222 PolarHBondContact O-N 2.82Å; F218-R222 VanDerWaalsContact O-N 3.09Å; A219-R222 CarbonylContact O-C 3.52Å; A219-R222 PolarHBondContact O-N 3.14Å; L220-R222 PolarHBondContact O-N 3.33Å; R222-D260 IonicContact NH1-OD2 3.31Å |
| 223 | R | 91.9 | Very high | 93 | Very high | 73 Ų | 73 | 37.4 Ų | 37.4 | 28% | 0.275 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -75.8 | -47.3 | 173.2 | -174 | 176.9 | 79.5 | 170.9 | -0.9 | 110.8 | V192 A219 L220 I225 D228 | V192-R223 VanDerWaalsContact CG1-CZ 3.43Å; A219-R223 WeakPolarHBondContact O-CB 3.48Å; A219-R223 PolarHBondContact O-N 3.18Å; L220-R223 PolarHBondContact O-N 3.26Å; L220-R223 VanDerWaalsContact O-N 3.13Å; R223-I225 HydrophobicContact CG-CB 4.42Å; R223-I225 HydrophobicContact CG-CD1 3.75Å; R223-I225 HydrophobicContact CG-CG1 3.95Å; R223-I225 PolarHBondContact O-N 3.2Å; R223-D228 WeakPolarHBondContact CB-OD2 3.46Å; R223-D228 WeakPolarHBondContact CG-OD2 3.22Å; R223-D228 IonicContact CZ-OD1 3.51Å; R223-D228 IonicContact CZ-OD2 2.81Å; R223-D228 IonicContact NE-OD1 3.53Å; R223-D228 IonicContact NE-OD2 3.65Å; R223-D228 PolarHBondContact NE-OD2 3.26Å; R223-D228 IonicContact NH2-OD1 3.4Å; R223-D228 PolarHBondContact NH2-OD1 3.35Å; R223-D228 IonicContact NH2-OD2 3.87Å; R223-D228 PolarHBondContact NH2-OD2 2.95Å |
| 224 | N | 90.4 | Very high | 93.1 | Very high | 53 Ų | 53 | 43.3 Ų | 43.3 | 28% | 0.283 | 23% | 0.225 | S | C | . | . | trans | 48.3 | 48.5 | 176.3 | -161.6 | 48.9 | 0 | 0 | 0 | 114.6 | L220 D228 R229 E264 | L220-N224 PolarHBondContact O-N 2.98Å; N224-D228 PolarHBondContact N-OD2 3.42Å; N224-R229 WeakPolarHBondContact OD1-CG 3.33Å; N224-E264 PolarHBondContact ND2-OE1 3.18Å; N224-E264 PolarHBondContact ND2-OE2 3.39Å | ||
| 225 | I | 89.3 | Confident | 93.3 | Very high | 115 Ų | 115 | 42.5 Ų | 42.5 | 59% | 0.59 | 22% | 0.223 | S | C | * | . | trans | -103.8 | 126.6 | 173.9 | -63.7 | 172.4 | 0 | 0 | 0 | 109 | R223 D227 D228 | R223-I225 HydrophobicContact CG-CB 4.42Å; R223-I225 HydrophobicContact CG-CD1 3.75Å; R223-I225 HydrophobicContact CG-CG1 3.95Å; R223-I225 PolarHBondContact O-N 3.2Å; I225-D227 PolarHBondContact O-N 2.9Å; I225-D228 PolarHBondContact N-OD2 2.69Å; I225-D228 WeakPolarHBondContact O-CB 3.29Å; I225-D228 PolarHBondContact O-N 3.35Å | ||
| 226 | G | 88.4 | Confident | 93.4 | Very high | 80 Ų | 80 | 41.7 Ų | 41.7 | 83% | 0.825 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | -116.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 227 | D | 90.9 | Very high | 93.4 | Very high | 104 Ų | 104 | 44.1 Ų | 44.1 | 56% | 0.556 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | 11.7 | -175.6 | -159 | 44.6 | 0 | 0 | 0 | 113.8 | I225 R229 N230 K231 | I225-D227 PolarHBondContact O-N 2.9Å; D227-R229 PolarHBondContact O-N 3.09Å; D227-N230 PolarHBondContact O-N 3.27Å; D227-N230 WeakPolarHBondContact OD1-CB 3.49Å; D227-N230 PolarHBondContact OD1-ND2 2.95Å; D227-K231 PolarHBondContact O-N 3.2Å; D227-K231 VanDerWaalsContact O-N 3.11Å |
| 228 | D | 94.7 | Very high | 93.2 | Very high | 8 Ų | 8 | 46.9 Ų | 46.9 | 4% | 0.043 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -45.6 | -41.4 | -175.4 | -88.2 | -9.5 | 0 | 0 | 0 | 114.2 | L220 R223 N224 I225 K231 A232 | L220-D228 HydrophobicContact CB-CB 4.39Å; L220-D228 HydrophobicContact CD2-CB 4.33Å; L220-D228 VanDerWaalsContact CD2-OD1 3.28Å; L220-D228 WeakPolarHBondContact CD2-OD1 3.39Å; L220-D228 WeakPolarHBondContact O-CB 3.39Å; R223-D228 WeakPolarHBondContact CB-OD2 3.46Å; R223-D228 WeakPolarHBondContact CG-OD2 3.22Å; R223-D228 IonicContact CZ-OD1 3.51Å; R223-D228 IonicContact CZ-OD2 2.81Å; R223-D228 IonicContact NE-OD1 3.53Å; R223-D228 IonicContact NE-OD2 3.65Å; R223-D228 PolarHBondContact NE-OD2 3.26Å; R223-D228 IonicContact NH2-OD1 3.4Å; R223-D228 PolarHBondContact NH2-OD1 3.35Å; R223-D228 IonicContact NH2-OD2 3.87Å; R223-D228 PolarHBondContact NH2-OD2 2.95Å; N224-D228 PolarHBondContact N-OD2 3.42Å; I225-D228 PolarHBondContact N-OD2 2.69Å; I225-D228 WeakPolarHBondContact O-CB 3.29Å; I225-D228 PolarHBondContact O-N 3.35Å; D228-K231 PolarHBondContact O-N 2.98Å; D228-A232 VanDerWaalsContact O-CB 3.32Å; D228-A232 WeakPolarHBondContact O-CB 3.03Å; D228-A232 PolarHBondContact O-N 3.44Å |
| 229 | R | 92.5 | Very high | 93.2 | Very high | 25 Ų | 25 | 46 Ų | 46 | 9% | 0.094 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.6 | -38.2 | -179.5 | -94.5 | -166.8 | -168.6 | 131.6 | 22.5 | 114.2 | N221 N224 D227 K231 A232 L233 I257 D260 E264 | N221-R229 WeakPolarHBondContact OD1-CD 3.35Å; N221-R229 WeakPolarHBondContact OD1-CG 3.39Å; N221-R229 PolarHBondContact OD1-NE 2.68Å; N224-R229 WeakPolarHBondContact OD1-CG 3.33Å; D227-R229 PolarHBondContact O-N 3.09Å; R229-K231 VanDerWaalsContact C-N 3.34Å; R229-A232 PolarHBondContact O-N 3.16Å; R229-L233 WeakPolarHBondContact O-CB 3.3Å; R229-L233 PolarHBondContact O-N 3Å; R229-I257 HydrophobicContact CG-CG2 4.27Å; R229-D260 PolarHBondContact NH1-O 2.95Å; R229-E264 IonicContact CZ-OE1 3.45Å; R229-E264 IonicContact CZ-OE2 2.73Å; R229-E264 IonicContact NH1-OE1 2.65Å; R229-E264 PolarHBondContact NH1-OE1 2.91Å; R229-E264 IonicContact NH1-OE2 3.76Å; R229-E264 PolarHBondContact NH1-OE2 3.27Å; R229-E264 IonicContact NH2-OE1 2.74Å; R229-E264 PolarHBondContact NH2-OE1 2.89Å; R229-E264 IonicContact NH2-OE2 2.62Å |
| 230 | N | 93.4 | Very high | 93 | Very high | 66 Ų | 66 | 46.3 Ų | 46.3 | 35% | 0.353 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.7 | -39.7 | 176 | -68 | -43.8 | 0 | 0 | 0 | 109.6 | D227 L233 Q234 R261 | D227-N230 PolarHBondContact O-N 3.27Å; D227-N230 WeakPolarHBondContact OD1-CB 3.49Å; D227-N230 PolarHBondContact OD1-ND2 2.95Å; N230-L233 PolarHBondContact O-N 2.97Å; N230-Q234 WeakPolarHBondContact O-CB 3.35Å; N230-Q234 PolarHBondContact O-N 2.91Å; N230-R261 PolarHBondContact OD1-NH1 3.47Å |
| 231 | K | 95 | Very high | 92.8 | Very high | 69 Ų | 69 | 54.1 Ų | 54.1 | 30% | 0.3 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.4 | -46.8 | 170.9 | -164.7 | 178.7 | -176.9 | -177 | 0 | 111.8 | E196 Y216 L220 D227 D228 R229 L233 Q234 V235 | E196-K231 IonicContact OE1-NZ 3.56Å; E196-K231 PolarHBondContact OE1-NZ 3.48Å; Y216-K231 WeakPolarHBondContact OH-CE 3.43Å; Y216-K231 PolarHBondContact OH-NZ 3.38Å; L220-K231 HydrophobicContact CD1-CB 4.21Å; L220-K231 HydrophobicContact CD1-CD 4.09Å; L220-K231 HydrophobicContact CD1-CG 3.95Å; L220-K231 HydrophobicContact CD2-CD 4.26Å; D227-K231 PolarHBondContact O-N 3.2Å; D227-K231 VanDerWaalsContact O-N 3.11Å; D228-K231 PolarHBondContact O-N 2.98Å; R229-K231 VanDerWaalsContact C-N 3.34Å; K231-L233 PolarHBondContact O-N 3.39Å; K231-Q234 PolarHBondContact O-N 2.97Å; K231-V235 WeakPolarHBondContact O-CG2 3.46Å; K231-V235 PolarHBondContact O-N 3.42Å |
| 232 | A | 96.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.4 | -42.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A217 L220 N221 D228 R229 I236 I257 | A217-A232 HydrophobicContact CB-CB 4.42Å; A217-A232 WeakPolarHBondContact O-CB 3.37Å; L220-A232 HydrophobicContact CB-CB 3.81Å; L220-A232 HydrophobicContact CD1-CB 4.4Å; N221-A232 HydrophobicContact CB-CB 4.24Å; D228-A232 VanDerWaalsContact O-CB 3.32Å; D228-A232 WeakPolarHBondContact O-CB 3.03Å; D228-A232 PolarHBondContact O-N 3.44Å; R229-A232 PolarHBondContact O-N 3.16Å; A232-I236 PolarHBondContact O-N 3.38Å; A232-I257 HydrophobicContact CB-CD1 3.96Å |
| 233 | L | 95.1 | Very high | 92 | Very high | 20 Ų | 20 | 63.7 Ų | 63.7 | 11% | 0.105 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.4 | -44.6 | 177.9 | -156.1 | 84.6 | 0 | 0 | 0 | 111.1 | R229 N230 K231 I236 L237 I257 Y258 | R229-L233 WeakPolarHBondContact O-CB 3.3Å; R229-L233 PolarHBondContact O-N 3Å; N230-L233 PolarHBondContact O-N 2.97Å; K231-L233 PolarHBondContact O-N 3.39Å; L233-I236 WeakPolarHBondContact O-CG2 3.49Å; L233-I236 PolarHBondContact O-N 3.1Å; L233-L237 HydrophobicContact CD2-CD1 4.05Å; L233-L237 HydrophobicContact CG-CD1 3.86Å; L233-L237 HydrophobicContact CG-CG 4.39Å; L233-L237 VanDerWaalsContact O-CB 3.29Å; L233-L237 WeakPolarHBondContact O-CB 3.23Å; L233-L237 VanDerWaalsContact O-CG 3.22Å; L233-L237 WeakPolarHBondContact O-CG 3.35Å; L233-L237 PolarHBondContact O-N 2.87Å; L233-I257 HydrophobicContact CB-CG2 4.41Å; L233-I257 HydrophobicContact CD1-CB 3.96Å; L233-I257 HydrophobicContact CD1-CG2 3.57Å; L233-Y258 HydrophobicContact CD1-CD1 4.4Å; L233-Y258 HydrophobicContact CD1-CD2 4Å; L233-Y258 HydrophobicContact CD1-CE1 4.17Å; L233-Y258 HydrophobicContact CD1-CE2 3.73Å; L233-Y258 HydrophobicContact CD1-CG 4.33Å; L233-Y258 HydrophobicContact CD2-CE1 4.08Å; L233-Y258 HydrophobicContact CG-CE2 4.49Å |
| 234 | Q | 95.6 | Very high | 91.5 | Very high | 148 Ų | 148 | 66.6 Ų | 66.6 | 69% | 0.692 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -63.3 | -42.9 | 178.8 | -163.4 | 175.4 | 35.7 | 0 | 0 | 111.5 | N230 K231 S238 | N230-Q234 WeakPolarHBondContact O-CB 3.35Å; N230-Q234 PolarHBondContact O-N 2.91Å; K231-Q234 PolarHBondContact O-N 2.97Å; Q234-S238 WeakPolarHBondContact O-CB 3.26Å; Q234-S238 PolarHBondContact O-N 3.01Å; Q234-S238 VanDerWaalsContact O-N 3.13Å; Q234-S238 PolarHBondContact O-OG 3Å; Q234-S238 VanDerWaalsContact O-OG 3.14Å |
| 235 | V | 95.1 | Very high | 91.1 | Very high | 20 Ų | 20 | 64.5 Ų | 64.5 | 12% | 0.121 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.9 | -58.5 | 172.1 | 173 | 0 | 0 | 0 | 0 | 110.1 | Q213 Y216 A217 K231 L237 S238 M239 | Q213-V235 HydrophobicContact CB-CG1 4.09Å; Y216-V235 HydrophobicContact CD1-CG2 4.48Å; Y216-V235 HydrophobicContact CE1-CG2 4.48Å; A217-V235 HydrophobicContact CB-CB 4.28Å; A217-V235 HydrophobicContact CB-CG1 4.04Å; K231-V235 WeakPolarHBondContact O-CG2 3.46Å; K231-V235 PolarHBondContact O-N 3.42Å; V235-L237 VanDerWaalsContact C-N 3.35Å; V235-L237 PolarHBondContact O-N 3.01Å; V235-S238 PolarHBondContact O-N 3.49Å; V235-S238 PolarHBondContact O-OG 2.91Å; V235-M239 HydrophobicContact CG1-SD 4.43Å; V235-M239 WeakPolarHBondContact O-CG 3.43Å; V235-M239 PolarHBondContact O-N 3.15Å; V235-M239 VanDerWaalsContact O-N 3.11Å |
| 236 | I | 95.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66 | -34.3 | -172.7 | -160.4 | 59.9 | 0 | 0 | 0 | 113.5 | F214 A217 A232 L233 M239 L240 F250 L253 A254 I257 | F214-I236 HydrophobicContact CD2-CD1 4.48Å; A217-I236 HydrophobicContact CB-CB 4.45Å; A232-I236 PolarHBondContact O-N 3.38Å; L233-I236 WeakPolarHBondContact O-CG2 3.49Å; L233-I236 PolarHBondContact O-N 3.1Å; I236-M239 HydrophobicContact CD1-SD 4.44Å; I236-M239 WeakPolarHBondContact O-CB 3.5Å; I236-M239 PolarHBondContact O-N 3.49Å; I236-L240 HydrophobicContact CG1-CD1 4.3Å; I236-L240 WeakPolarHBondContact O-CG 3.27Å; I236-L240 PolarHBondContact O-N 3.04Å; I236-L240 VanDerWaalsContact O-N 3.1Å; I236-F250 HydrophobicContact CD1-CB 4.3Å; I236-F250 HydrophobicContact CD1-CD1 3.64Å; I236-F250 HydrophobicContact CD1-CE1 4.37Å; I236-F250 HydrophobicContact CD1-CG 4.34Å; I236-L253 HydrophobicContact CD1-CB 4.41Å; I236-L253 HydrophobicContact CD1-CD2 3.89Å; I236-L253 HydrophobicContact CD1-CG 4.33Å; I236-L253 HydrophobicContact CG1-CB 4.36Å; I236-L253 HydrophobicContact CG1-CD2 4.33Å; I236-L253 HydrophobicContact CG1-CG 4.26Å; I236-A254 HydrophobicContact CG1-CB 4.35Å; I236-A254 HydrophobicContact CG2-CB 3.94Å; I236-I257 HydrophobicContact CG2-CD1 3.88Å |
| 237 | L | 94.6 | Very high | 90.8 | Very high | 52 Ų | 52 | 61.9 Ų | 61.9 | 27% | 0.272 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -68.8 | -44.6 | 177.6 | -70.2 | 174.6 | 0 | 0 | 0 | 111.4 | L233 V235 M239 L240 E241 W279 | L233-L237 HydrophobicContact CD2-CD1 4.05Å; L233-L237 HydrophobicContact CG-CD1 3.86Å; L233-L237 HydrophobicContact CG-CG 4.39Å; L233-L237 VanDerWaalsContact O-CB 3.29Å; L233-L237 WeakPolarHBondContact O-CB 3.23Å; L233-L237 VanDerWaalsContact O-CG 3.22Å; L233-L237 WeakPolarHBondContact O-CG 3.35Å; L233-L237 PolarHBondContact O-N 2.87Å; V235-L237 VanDerWaalsContact C-N 3.35Å; V235-L237 PolarHBondContact O-N 3.01Å; L237-M239 PolarHBondContact O-N 3.17Å; L237-L240 PolarHBondContact O-N 3.03Å; L237-E241 PolarHBondContact O-N 2.89Å; L237-W279 HydrophobicContact CD2-CH2 4.1Å; L237-W279 HydrophobicContact CD2-CZ2 3.5Å |
| 238 | S | 93.1 | Very high | 90.5 | Very high | 59 Ų | 59 | 57.6 Ų | 57.6 | 41% | 0.413 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.8 | -29.7 | 174.9 | 69.3 | 0 | 0 | 0 | 0 | 112.8 | Q234 V235 | Q234-S238 WeakPolarHBondContact O-CB 3.26Å; Q234-S238 PolarHBondContact O-N 3.01Å; Q234-S238 VanDerWaalsContact O-N 3.13Å; Q234-S238 PolarHBondContact O-OG 3Å; Q234-S238 VanDerWaalsContact O-OG 3.14Å; V235-S238 PolarHBondContact O-N 3.49Å; V235-S238 PolarHBondContact O-OG 2.91Å |
| 239 | M | 90.9 | Very high | 90 | Very high | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.02 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.6 | -40.3 | 172.4 | -67.8 | -167.3 | 82 | 0 | 0 | 112.9 | Q213 V235 I236 L237 E241 K242 N245 F250 | Q213-M239 HydrophobicContact CB-CE 3.82Å; Q213-M239 HydrophobicContact CB-CG 4.48Å; Q213-M239 HydrophobicContact CB-SD 3.38Å; Q213-M239 WeakPolarHBondContact CB-SD 3.34Å; Q213-M239 HydrophobicContact CG-SD 4.44Å; V235-M239 HydrophobicContact CG1-SD 4.43Å; V235-M239 WeakPolarHBondContact O-CG 3.43Å; V235-M239 PolarHBondContact O-N 3.15Å; V235-M239 VanDerWaalsContact O-N 3.11Å; I236-M239 HydrophobicContact CD1-SD 4.44Å; I236-M239 WeakPolarHBondContact O-CB 3.5Å; I236-M239 PolarHBondContact O-N 3.49Å; L237-M239 PolarHBondContact O-N 3.17Å; M239-E241 PolarHBondContact O-N 3.41Å; M239-K242 PolarHBondContact O-N 3.22Å; M239-N245 WeakPolarHBondContact O-CB 3.32Å; M239-N245 PolarHBondContact O-ND2 3.22Å; M239-F250 HydrophobicContact CB-CD1 4.48Å; M239-F250 HydrophobicContact CE-CD1 4.33Å; M239-F250 HydrophobicContact CE-CE1 3.49Å; M239-F250 VanDerWaalsContact CE-CE1 3.49Å; M239-F250 HydrophobicContact CE-CZ 4.31Å; M239-F250 HydrophobicContact SD-CD1 4.32Å; M239-F250 HydrophobicContact SD-CE1 3.82Å |
| 240 | L | 92.4 | Very high | 90 | Very high | 6 Ų | 6 | 61.7 Ų | 61.7 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -71.7 | -14 | -177.7 | -76.6 | 166.7 | 0 | 0 | 0 | 113.9 | I236 L237 K242 Q246 F250 L251 A254 W279 | I236-L240 HydrophobicContact CG1-CD1 4.3Å; I236-L240 WeakPolarHBondContact O-CG 3.27Å; I236-L240 PolarHBondContact O-N 3.04Å; I236-L240 VanDerWaalsContact O-N 3.1Å; L237-L240 PolarHBondContact O-N 3.03Å; L240-K242 PolarHBondContact O-N 3.2Å; L240-Q246 HydrophobicContact CD2-CG 4.41Å; L240-Q246 WeakPolarHBondContact O-CG 3.5Å; L240-Q246 PolarHBondContact O-NE2 3.27Å; L240-F250 HydrophobicContact CD2-CB 3.8Å; L240-F250 HydrophobicContact CG-CB 4.44Å; L240-L251 HydrophobicContact CD1-CD2 4.44Å; L240-L251 HydrophobicContact CD2-CD2 3.64Å; L240-L251 HydrophobicContact CD2-CG 4.05Å; L240-A254 HydrophobicContact CD1-CB 3.87Å; L240-W279 HydrophobicContact CD1-CE3 4.22Å; L240-W279 HydrophobicContact CD1-CH2 4.09Å; L240-W279 HydrophobicContact CD1-CZ3 3.78Å |
| 241 | E | 90 | Very high | 90 | Very high | 164 Ų | 164 | 58.5 Ų | 58.5 | 77% | 0.766 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -31.8 | 167.6 | -66.3 | 179.9 | -175.9 | 0 | 0 | 111.9 | L237 M239 | L237-E241 PolarHBondContact O-N 2.89Å; M239-E241 PolarHBondContact O-N 3.41Å |
| 242 | K | 86.5 | Confident | 89.8 | Confident | 98 Ų | 98 | 55.3 Ų | 55.3 | 43% | 0.426 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -80.4 | 126.1 | 175.3 | -51 | -172.4 | -174.2 | 174.9 | 0 | 110.6 | M239 L240 E244 N245 | M239-K242 PolarHBondContact O-N 3.22Å; L240-K242 PolarHBondContact O-N 3.2Å; K242-E244 VanDerWaalsContact C-N 3.26Å; K242-E244 HydrophobicContact CB-CG 3.92Å; K242-E244 HydrophobicContact CD-CG 4.44Å; K242-E244 WeakPolarHBondContact CD-OE1 3.35Å; K242-E244 IonicContact NZ-OE1 3Å; K242-E244 PolarHBondContact O-N 2.87Å; K242-N245 PolarHBondContact O-N 3.44Å |
| 243 | Q | 80.3 | Confident | 89.7 | Confident | 173 Ų | 173 | 55.5 Ų | 55.5 | 81% | 0.808 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -57.1 | -36.3 | 178.6 | -83.4 | -163.8 | -16.5 | 0 | 0 | 113.6 | N245 Q246 | Q243-N245 PolarHBondContact O-N 3.42Å; Q243-N245 VanDerWaalsContact O-N 3.16Å; Q243-Q246 PolarHBondContact O-N 3.02Å |
| 244 | E | 82.2 | Confident | 89.7 | Confident | 135 Ų | 135 | 54.5 Ų | 54.5 | 63% | 0.631 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -57.1 | -27.7 | 177.3 | 63.5 | -174.5 | 177.8 | 0 | 0 | 113.7 | K242 | K242-E244 VanDerWaalsContact C-N 3.26Å; K242-E244 HydrophobicContact CB-CG 3.92Å; K242-E244 HydrophobicContact CD-CG 4.44Å; K242-E244 WeakPolarHBondContact CD-OE1 3.35Å; K242-E244 IonicContact NZ-OE1 3Å; K242-E244 PolarHBondContact O-N 2.87Å |
| 245 | N | 80.9 | Confident | 89.6 | Confident | 9 Ų | 9 | 47.5 Ų | 47.5 | 5% | 0.048 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -94.4 | -0 | 180 | -65.5 | -33.4 | 0 | 0 | 0 | 113 | S210 M239 K242 Q243 I247 F250 | S210-N245 PolarHBondContact OG-OD1 3.18Å; S210-N245 VanDerWaalsContact OG-OD1 3.07Å; M239-N245 WeakPolarHBondContact O-CB 3.32Å; M239-N245 PolarHBondContact O-ND2 3.22Å; K242-N245 PolarHBondContact O-N 3.44Å; Q243-N245 PolarHBondContact O-N 3.42Å; Q243-N245 VanDerWaalsContact O-N 3.16Å; N245-I247 PolarHBondContact O-N 3.34Å; N245-F250 HydrophobicContact CB-CD1 4.3Å; N245-F250 WeakPolarHBondContact O-CB 3.48Å |
| 246 | Q | 85.6 | Confident | 89.5 | Confident | 64 Ų | 64 | 47.5 Ų | 47.5 | 30% | 0.299 | 23% | 0.234 | S | C | . | . | trans | -79.4 | 50.7 | 178.1 | -63.7 | -164.6 | 24.7 | 0 | 0 | 112.3 | L240 Q243 | L240-Q246 HydrophobicContact CD2-CG 4.41Å; L240-Q246 WeakPolarHBondContact O-CG 3.5Å; L240-Q246 PolarHBondContact O-NE2 3.27Å; Q243-Q246 PolarHBondContact O-N 3.02Å | ||
| 247 | I | 86.7 | Confident | 89.5 | Confident | 76 Ų | 76 | 47.6 Ų | 47.6 | 39% | 0.39 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -102.2 | 159.1 | 175 | 62.9 | 171.2 | 0 | 0 | 0 | 110.5 | N245 D249 F250 L251 | N245-I247 PolarHBondContact O-N 3.34Å; I247-D249 VanDerWaalsContact C-N 3.31Å; I247-D249 PolarHBondContact O-N 3.01Å; I247-D249 VanDerWaalsContact O-N 3.17Å; I247-F250 HydrophobicContact CD1-CD2 3.78Å; I247-F250 HydrophobicContact CD1-CE2 3.9Å; I247-F250 HydrophobicContact CG1-CD2 3.56Å; I247-F250 HydrophobicContact CG1-CE2 4.18Å; I247-F250 HydrophobicContact CG1-CG 4.42Å; I247-F250 PolarHBondContact O-N 3.19Å; I247-L251 WeakPolarHBondContact O-CG 3.49Å; I247-L251 PolarHBondContact O-N 3.4Å |
| 248 | P | 85.5 | Confident | 89.5 | Confident | 13 Ų | 13 | 46.6 Ų | 46.6 | 8% | 0.084 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -54.3 | -40 | -170.8 | -28.2 | 34.9 | 0 | 0 | 0 | 114.8 | F250 L251 C252 I286 Q287 | P248-F250 PolarHBondContact O-N 3.25Å; P248-L251 PolarHBondContact O-N 3.33Å; P248-C252 VanDerWaalsContact O-CB 3.24Å; P248-C252 WeakPolarHBondContact O-CB 3.46Å; P248-C252 PolarHBondContact O-N 3.21Å; P248-C252 PolarHBondContact O-SG 3.38Å; P248-I286 HydrophobicContact CG-CG2 4.26Å; P248-Q287 HydrophobicContact CG-CB 3.64Å |
| 249 | D | 84.2 | Confident | 89.4 | Confident | 102 Ų | 102 | 44 Ų | 44 | 55% | 0.545 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.9 | -44.1 | -176.9 | -70.3 | -17.2 | 0 | 0 | 0 | 112.8 | F214 I247 L253 | F214-D249 HydrophobicContact CE2-CB 4.13Å; F214-D249 HydrophobicContact CZ-CB 4.31Å; I247-D249 VanDerWaalsContact C-N 3.31Å; I247-D249 PolarHBondContact O-N 3.01Å; I247-D249 VanDerWaalsContact O-N 3.17Å; D249-L253 WeakPolarHBondContact O-CB 3.4Å; D249-L253 PolarHBondContact O-N 3.09Å |
| 250 | F | 91.3 | Very high | 89.3 | Confident | 17 Ų | 17 | 44.7 Ų | 44.7 | 8% | 0.075 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70.6 | -42.9 | -178.7 | -75.8 | -105.8 | 0 | 0 | 0 | 111.1 | F214 I236 M239 L240 N245 I247 P248 L253 A254 | F214-F250 HydrophobicContact CB-CE1 3.94Å; F214-F250 HydrophobicContact CB-CZ 3.85Å; F214-F250 HydrophobicContact CD2-CD1 4.07Å; F214-F250 HydrophobicContact CD2-CD2 4.09Å; F214-F250 AromaticContact CD2-CE1 3.91Å; F214-F250 HydrophobicContact CD2-CE1 3.91Å; F214-F250 AromaticContact CD2-CE2 3.98Å; F214-F250 HydrophobicContact CD2-CE2 3.98Å; F214-F250 HydrophobicContact CD2-CG 4.14Å; F214-F250 AromaticContact CD2-CZ 3.89Å; F214-F250 HydrophobicContact CD2-CZ 3.89Å; F214-F250 HydrophobicContact CE2-CD2 4.42Å; F214-F250 HydrophobicContact CG-CE1 4.38Å; F214-F250 HydrophobicContact CG-CZ 4.18Å; I236-F250 HydrophobicContact CD1-CB 4.3Å; I236-F250 HydrophobicContact CD1-CD1 3.64Å; I236-F250 HydrophobicContact CD1-CE1 4.37Å; I236-F250 HydrophobicContact CD1-CG 4.34Å; M239-F250 HydrophobicContact CB-CD1 4.48Å; M239-F250 HydrophobicContact CE-CD1 4.33Å; M239-F250 HydrophobicContact CE-CE1 3.49Å; M239-F250 VanDerWaalsContact CE-CE1 3.49Å; M239-F250 HydrophobicContact CE-CZ 4.31Å; M239-F250 HydrophobicContact SD-CD1 4.32Å; M239-F250 HydrophobicContact SD-CE1 3.82Å; L240-F250 HydrophobicContact CD2-CB 3.8Å; L240-F250 HydrophobicContact CG-CB 4.44Å; N245-F250 HydrophobicContact CB-CD1 4.3Å; N245-F250 WeakPolarHBondContact O-CB 3.48Å; I247-F250 HydrophobicContact CD1-CD2 3.78Å; I247-F250 HydrophobicContact CD1-CE2 3.9Å; I247-F250 HydrophobicContact CG1-CD2 3.56Å; I247-F250 HydrophobicContact CG1-CE2 4.18Å; I247-F250 HydrophobicContact CG1-CG 4.42Å; I247-F250 PolarHBondContact O-N 3.19Å; P248-F250 PolarHBondContact O-N 3.25Å; F250-L253 PolarHBondContact O-N 3.4Å; F250-A254 PolarHBondContact O-N 3.44Å |
| 251 | L | 93 | Very high | 89.2 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.3 | -46.3 | 175 | -63.3 | 166.8 | 0 | 0 | 0 | 111 | L240 I247 P248 L253 A254 G255 W279 K282 I286 | L240-L251 HydrophobicContact CD1-CD2 4.44Å; L240-L251 HydrophobicContact CD2-CD2 3.64Å; L240-L251 HydrophobicContact CD2-CG 4.05Å; I247-L251 WeakPolarHBondContact O-CG 3.49Å; I247-L251 PolarHBondContact O-N 3.4Å; P248-L251 PolarHBondContact O-N 3.33Å; L251-L253 VanDerWaalsContact C-N 3.3Å; L251-L253 PolarHBondContact O-N 3.09Å; L251-A254 PolarHBondContact O-N 2.85Å; L251-G255 PolarHBondContact O-N 3.09Å; L251-W279 HydrophobicContact CD2-CE3 3.58Å; L251-W279 HydrophobicContact CD2-CZ3 3.54Å; L251-K282 HydrophobicContact CD1-CG 4.3Å; L251-K282 HydrophobicContact CD2-CD 4.13Å; L251-K282 HydrophobicContact CD2-CG 4.46Å; L251-I286 HydrophobicContact CD1-CD1 3.54Å |
| 252 | C | 91.8 | Very high | 89.1 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.007 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -74.1 | -19.3 | 179.4 | -61.7 | 0 | 0 | 0 | 0 | 113 | P248 R256 Y280 Y291 | P248-C252 VanDerWaalsContact O-CB 3.24Å; P248-C252 WeakPolarHBondContact O-CB 3.46Å; P248-C252 PolarHBondContact O-N 3.21Å; P248-C252 PolarHBondContact O-SG 3.38Å; C252-R256 VanDerWaalsContact O-CB 3.24Å; C252-R256 WeakPolarHBondContact O-CB 3.44Å; C252-R256 PolarHBondContact O-N 2.77Å; C252-Y280 HydrophobicContact CB-CD1 4.04Å; C252-Y280 HydrophobicContact CB-CE1 3.74Å; C252-Y291 HydrophobicContact CB-CD1 3.94Å; C252-Y291 HydrophobicContact CB-CE1 3.53Å |
| 253 | L | 92.8 | Very high | 88.9 | Confident | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -72.9 | -43.8 | 168.1 | -179.8 | 55.7 | 0 | 0 | 0 | 111.1 | F214 A217 F218 I236 D249 F250 L251 R256 I257 | F214-L253 HydrophobicContact CD2-CD2 3.56Å; F214-L253 HydrophobicContact CE2-CB 3.85Å; F214-L253 HydrophobicContact CE2-CD2 3.5Å; F214-L253 HydrophobicContact CE2-CG 4.3Å; F214-L253 HydrophobicContact CG-CD2 4.14Å; F214-L253 HydrophobicContact CZ-CB 4.47Å; F214-L253 HydrophobicContact CZ-CD2 4.04Å; A217-L253 HydrophobicContact CB-CD2 4.22Å; F218-L253 HydrophobicContact CB-CD1 4.34Å; F218-L253 HydrophobicContact CB-CD2 4.37Å; F218-L253 HydrophobicContact CD2-CD1 4.01Å; I236-L253 HydrophobicContact CD1-CB 4.41Å; I236-L253 HydrophobicContact CD1-CD2 3.89Å; I236-L253 HydrophobicContact CD1-CG 4.33Å; I236-L253 HydrophobicContact CG1-CB 4.36Å; I236-L253 HydrophobicContact CG1-CD2 4.33Å; I236-L253 HydrophobicContact CG1-CG 4.26Å; D249-L253 WeakPolarHBondContact O-CB 3.4Å; D249-L253 PolarHBondContact O-N 3.09Å; F250-L253 PolarHBondContact O-N 3.4Å; L251-L253 VanDerWaalsContact C-N 3.3Å; L251-L253 PolarHBondContact O-N 3.09Å; L253-R256 WeakPolarHBondContact O-CB 3.22Å; L253-R256 PolarHBondContact O-N 3.38Å; L253-R256 VanDerWaalsContact O-N 3.15Å; L253-I257 HydrophobicContact CD1-CD1 4.38Å; L253-I257 HydrophobicContact CD1-CG1 4.38Å; L253-I257 HydrophobicContact CG-CD1 4.3Å; L253-I257 WeakPolarHBondContact O-CG1 3.39Å; L253-I257 PolarHBondContact O-N 3.41Å |
| 254 | A | 95.5 | Very high | 89 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.8 | -50 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111 | I236 L240 F250 L251 R256 I257 Y258 W279 | I236-A254 HydrophobicContact CG1-CB 4.35Å; I236-A254 HydrophobicContact CG2-CB 3.94Å; L240-A254 HydrophobicContact CD1-CB 3.87Å; F250-A254 PolarHBondContact O-N 3.44Å; L251-A254 PolarHBondContact O-N 2.85Å; A254-R256 VanDerWaalsContact C-N 3.27Å; A254-R256 PolarHBondContact O-N 2.95Å; A254-I257 PolarHBondContact O-N 3.38Å; A254-I257 VanDerWaalsContact O-N 3.16Å; A254-Y258 VanDerWaalsContact O-CD2 3.29Å; A254-Y258 WeakPolarHBondContact O-CD2 3.27Å; A254-Y258 PolarHBondContact O-N 2.88Å; A254-W279 HydrophobicContact CB-CD2 4.03Å; A254-W279 HydrophobicContact CB-CE3 4.42Å; A254-W279 HydrophobicContact CB-CG 4.04Å |
| 255 | G | 94.7 | Very high | 89 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.4 | -36.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L251 K259 Y280 | L251-G255 PolarHBondContact O-N 3.09Å; G255-K259 WeakPolarHBondContact O-CB 3.47Å; G255-K259 PolarHBondContact O-N 2.9Å; G255-Y280 WeakPolarHBondContact O-CE2 3.27Å |
| 256 | R | 93.2 | Very high | 88.9 | Confident | 21 Ų | 21 | 39.2 Ų | 39.2 | 8% | 0.079 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.3 | -42.2 | 175.7 | -169.3 | -176.5 | -168.4 | 114 | 5.9 | 112.7 | C252 L253 A254 K259 D260 Y280 Y291 S374 | C252-R256 VanDerWaalsContact O-CB 3.24Å; C252-R256 WeakPolarHBondContact O-CB 3.44Å; C252-R256 PolarHBondContact O-N 2.77Å; L253-R256 WeakPolarHBondContact O-CB 3.22Å; L253-R256 PolarHBondContact O-N 3.38Å; L253-R256 VanDerWaalsContact O-N 3.15Å; A254-R256 VanDerWaalsContact C-N 3.27Å; A254-R256 PolarHBondContact O-N 2.95Å; R256-K259 PolarHBondContact O-N 3.17Å; R256-D260 IonicContact NE-OD2 3.45Å; R256-D260 WeakPolarHBondContact O-CB 3.35Å; R256-D260 VanDerWaalsContact O-CG 3.3Å; R256-D260 PolarHBondContact O-N 2.77Å; R256-Y280 WeakPolarHBondContact CA-OH 3.36Å; R256-Y280 WeakPolarHBondContact CB-OH 3.36Å; R256-Y280 PolarHBondContact N-OH 3.29Å; R256-Y291 WeakPolarHBondContact CD-OH 3.3Å; R256-Y291 PolarHBondContact NH1-OH 2.92Å; R256-S374 PolarHBondContact NH2-OG 2.91Å |
| 257 | I | 94 | Very high | 88.4 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.7 | -43.1 | -179.8 | -62.4 | 162.2 | 0 | 0 | 0 | 110 | N221 R229 A232 L233 I236 L253 A254 D260 R261 | N221-I257 HydrophobicContact CB-CG1 3.88Å; R229-I257 HydrophobicContact CG-CG2 4.27Å; A232-I257 HydrophobicContact CB-CD1 3.96Å; L233-I257 HydrophobicContact CB-CG2 4.41Å; L233-I257 HydrophobicContact CD1-CB 3.96Å; L233-I257 HydrophobicContact CD1-CG2 3.57Å; I236-I257 HydrophobicContact CG2-CD1 3.88Å; L253-I257 HydrophobicContact CD1-CD1 4.38Å; L253-I257 HydrophobicContact CD1-CG1 4.38Å; L253-I257 HydrophobicContact CG-CD1 4.3Å; L253-I257 WeakPolarHBondContact O-CG1 3.39Å; L253-I257 PolarHBondContact O-N 3.41Å; A254-I257 PolarHBondContact O-N 3.38Å; A254-I257 VanDerWaalsContact O-N 3.16Å; I257-D260 PolarHBondContact O-N 3.14Å; I257-R261 WeakPolarHBondContact O-CB 3.49Å; I257-R261 PolarHBondContact O-N 3.46Å |
| 258 | Y | 95 | Very high | 88 | Confident | 30 Ų | 30 | 41.5 Ų | 41.5 | 12% | 0.118 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.2 | -41.7 | 172.5 | -75.9 | -69.1 | 0 | 0 | 0 | 112.6 | L233 A254 R261 L262 E275 W279 | L233-Y258 HydrophobicContact CD1-CD1 4.4Å; L233-Y258 HydrophobicContact CD1-CD2 4Å; L233-Y258 HydrophobicContact CD1-CE1 4.17Å; L233-Y258 HydrophobicContact CD1-CE2 3.73Å; L233-Y258 HydrophobicContact CD1-CG 4.33Å; L233-Y258 HydrophobicContact CD2-CE1 4.08Å; L233-Y258 HydrophobicContact CG-CE2 4.49Å; A254-Y258 VanDerWaalsContact O-CD2 3.29Å; A254-Y258 WeakPolarHBondContact O-CD2 3.27Å; A254-Y258 PolarHBondContact O-N 2.88Å; Y258-R261 WeakPolarHBondContact O-CB 3.37Å; Y258-R261 PolarHBondContact O-N 3.29Å; Y258-L262 WeakPolarHBondContact O-CB 3.27Å; Y258-L262 PolarHBondContact O-N 3.09Å; Y258-E275 HydrophobicContact CD1-CB 3.84Å; Y258-E275 HydrophobicContact CD2-CB 3.84Å; Y258-E275 HydrophobicContact CE1-CB 3.76Å; Y258-E275 HydrophobicContact CE1-CG 4.05Å; Y258-E275 HydrophobicContact CE2-CB 3.78Å; Y258-E275 HydrophobicContact CE2-CG 4.32Å; Y258-E275 HydrophobicContact CG-CB 3.87Å; Y258-W279 AromaticContact CD2-CD1 3.67Å; Y258-W279 AromaticContact CE2-CD1 3.63Å; Y258-W279 AromaticContact CE2-NE1 3.5Å |
| 259 | K | 91.4 | Very high | 88 | Confident | 6 Ų | 6 | 42.7 Ų | 42.7 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.2 | -41.7 | 174.5 | -173.3 | -170.7 | 73.7 | 168.4 | 0 | 112.7 | G255 R256 R261 L262 Y263 A276 Y280 N295 L299 N378 L381 | G255-K259 WeakPolarHBondContact O-CB 3.47Å; G255-K259 PolarHBondContact O-N 2.9Å; R256-K259 PolarHBondContact O-N 3.17Å; K259-R261 VanDerWaalsContact C-N 3.3Å; K259-R261 PolarHBondContact O-N 3.15Å; K259-L262 WeakPolarHBondContact O-CB 3.38Å; K259-L262 PolarHBondContact O-N 3.33Å; K259-Y263 PolarHBondContact O-N 2.93Å; K259-A276 HydrophobicContact CB-CB 4.47Å; K259-Y280 HydrophobicContact CB-CE2 4.47Å; K259-N295 PolarHBondContact NZ-OD1 2.99Å; K259-L299 HydrophobicContact CG-CD2 4.17Å; K259-N378 PolarHBondContact NZ-OD1 3.17Å; K259-L381 HydrophobicContact CD-CD1 4.21Å; K259-L381 HydrophobicContact CG-CD1 4.09Å |
| 260 | D | 89.3 | Confident | 88.2 | Confident | 18 Ų | 18 | 45.3 Ų | 45.3 | 10% | 0.096 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.2 | -33.3 | 178.8 | -70.8 | -9.9 | 0 | 0 | 0 | 110.2 | N221 R222 R229 R256 I257 Y263 E264 | N221-D260 PolarHBondContact ND2-OD2 3.45Å; R222-D260 IonicContact NH1-OD2 3.31Å; R229-D260 PolarHBondContact NH1-O 2.95Å; R256-D260 IonicContact NE-OD2 3.45Å; R256-D260 WeakPolarHBondContact O-CB 3.35Å; R256-D260 VanDerWaalsContact O-CG 3.3Å; R256-D260 PolarHBondContact O-N 2.77Å; I257-D260 PolarHBondContact O-N 3.14Å; D260-Y263 PolarHBondContact O-N 3.27Å; D260-E264 PolarHBondContact O-N 3.15Å |
| 261 | R | 89.3 | Confident | 88.2 | Confident | 91 Ų | 91 | 51.8 Ų | 51.8 | 34% | 0.343 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.9 | -43.1 | 169.5 | -174.2 | 173.6 | -179.6 | 142.8 | 5.8 | 112.8 | N230 I257 Y258 K259 Y263 E264 S265 D269 S272 | N230-R261 PolarHBondContact OD1-NH1 3.47Å; I257-R261 WeakPolarHBondContact O-CB 3.49Å; I257-R261 PolarHBondContact O-N 3.46Å; Y258-R261 WeakPolarHBondContact O-CB 3.37Å; Y258-R261 PolarHBondContact O-N 3.29Å; K259-R261 VanDerWaalsContact C-N 3.3Å; K259-R261 PolarHBondContact O-N 3.15Å; R261-Y263 VanDerWaalsContact C-N 3.32Å; R261-Y263 PolarHBondContact O-N 3.18Å; R261-E264 PolarHBondContact O-N 2.85Å; R261-S265 PolarHBondContact O-N 3.34Å; R261-D269 IonicContact NE-OD2 2.7Å; R261-S272 VanDerWaalsContact CD-OG 3.28Å; R261-S272 WeakPolarHBondContact CD-OG 3.21Å |
| 262 | L | 87.8 | Confident | 88.3 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.9 | -44.6 | 172.2 | -177.9 | 72.6 | 0 | 0 | 0 | 111.3 | Y258 K259 E264 S265 K266 C267 D269 L273 L299 I302 | Y258-L262 WeakPolarHBondContact O-CB 3.27Å; Y258-L262 PolarHBondContact O-N 3.09Å; K259-L262 WeakPolarHBondContact O-CB 3.38Å; K259-L262 PolarHBondContact O-N 3.33Å; L262-E264 PolarHBondContact O-N 2.89Å; L262-S265 PolarHBondContact O-N 3.34Å; L262-S265 PolarHBondContact O-OG 3.42Å; L262-K266 PolarHBondContact O-N 2.95Å; L262-C267 HydrophobicContact CD1-CB 4.3Å; L262-C267 HydrophobicContact CG-CB 4.44Å; L262-C267 PolarHBondContact O-N 3.2Å; L262-D269 WeakPolarHBondContact CD1-O 3.34Å; L262-L273 HydrophobicContact CD1-CB 3.88Å; L262-L273 HydrophobicContact CD2-CB 4.15Å; L262-L273 HydrophobicContact CD2-CD1 3.81Å; L262-L299 HydrophobicContact CD2-CD2 3.91Å; L262-I302 HydrophobicContact CD2-CG2 4.45Å |
| 263 | Y | 82.8 | Confident | 88.3 | Confident | 101 Ų | 101 | 52.6 Ų | 52.6 | 40% | 0.396 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.5 | -44.1 | 178 | -176 | -86.3 | 0 | 0 | 0 | 112.1 | K259 D260 R261 K266 K380 L381 | K259-Y263 PolarHBondContact O-N 2.93Å; D260-Y263 PolarHBondContact O-N 3.27Å; R261-Y263 VanDerWaalsContact C-N 3.32Å; R261-Y263 PolarHBondContact O-N 3.18Å; Y263-K266 PolarHBondContact O-N 3.46Å; Y263-K266 VanDerWaalsContact O-N 3.14Å; Y263-K380 HydrophobicContact CE2-CB 4.17Å; Y263-L381 HydrophobicContact CD2-CD1 4.44Å; Y263-L381 HydrophobicContact CD2-CD2 3.77Å; Y263-L381 HydrophobicContact CD2-CG 3.9Å; Y263-L381 HydrophobicContact CG-CD2 4.46Å |
| 264 | E | 81.3 | Confident | 88.4 | Confident | 104 Ų | 104 | 57.3 Ų | 57.3 | 49% | 0.486 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -71.4 | -33.9 | 177.9 | -92.1 | 168.5 | -142.8 | 0 | 0 | 114.2 | N224 R229 D260 R261 L262 K266 | N224-E264 PolarHBondContact ND2-OE1 3.18Å; N224-E264 PolarHBondContact ND2-OE2 3.39Å; R229-E264 IonicContact CZ-OE1 3.45Å; R229-E264 IonicContact CZ-OE2 2.73Å; R229-E264 IonicContact NH1-OE1 2.65Å; R229-E264 PolarHBondContact NH1-OE1 2.91Å; R229-E264 IonicContact NH1-OE2 3.76Å; R229-E264 PolarHBondContact NH1-OE2 3.27Å; R229-E264 IonicContact NH2-OE1 2.74Å; R229-E264 PolarHBondContact NH2-OE1 2.89Å; R229-E264 IonicContact NH2-OE2 2.62Å; D260-E264 PolarHBondContact O-N 3.15Å; R261-E264 PolarHBondContact O-N 2.85Å; L262-E264 PolarHBondContact O-N 2.89Å; E264-K266 PolarHBondContact O-N 2.79Å; E264-K266 VanDerWaalsContact O-N 3.08Å |
| 265 | S | 83.8 | Confident | 88.4 | Confident | 35 Ų | 35 | 59.6 Ų | 59.6 | 25% | 0.245 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -1.2 | 169.9 | 78.1 | 0 | 0 | 0 | 0 | 113.7 | R261 L262 C267 Q268 D269 | R261-S265 PolarHBondContact O-N 3.34Å; L262-S265 PolarHBondContact O-N 3.34Å; L262-S265 PolarHBondContact O-OG 3.42Å; S265-C267 VanDerWaalsContact C-N 3.33Å; S265-C267 PolarHBondContact O-N 3.25Å; S265-Q268 WeakPolarHBondContact O-CB 3.39Å; S265-Q268 WeakPolarHBondContact O-CG 3.46Å; S265-Q268 PolarHBondContact O-N 3.02Å; S265-Q268 PolarHBondContact OG-N 3.36Å; S265-D269 WeakPolarHBondContact OG-CB 3.36Å; S265-D269 PolarHBondContact OG-N 2.84Å; S265-D269 VanDerWaalsContact OG-N 3.14Å |
| 266 | K | 77.6 | Confident | 88.4 | Confident | 138 Ų | 138 | 59.6 Ų | 59.6 | 60% | 0.6 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 54.4 | -168.2 | -57.4 | 178 | -177.3 | 175.3 | 0 | 110.6 | L262 Y263 E264 Q268 W384 | L262-K266 PolarHBondContact O-N 2.95Å; Y263-K266 PolarHBondContact O-N 3.46Å; Y263-K266 VanDerWaalsContact O-N 3.14Å; E264-K266 PolarHBondContact O-N 2.79Å; E264-K266 VanDerWaalsContact O-N 3.08Å; K266-Q268 PolarHBondContact O-N 3.34Å; K266-W384 HydrophobicContact CB-CH2 3.92Å; K266-W384 HydrophobicContact CB-CZ2 3.97Å; K266-W384 WeakPolarHBondContact O-CH2 3.45Å; K266-W384 WeakPolarHBondContact O-CZ3 3.35Å |
| 267 | C | 75.5 | Confident | 88.6 | Confident | 29 Ų | 29 | 59.1 Ų | 59.1 | 20% | 0.196 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 20.7 | -179.3 | -49.1 | 0 | 0 | 0 | 0 | 116.3 | L262 S265 I302 L381 W384 | L262-C267 HydrophobicContact CD1-CB 4.3Å; L262-C267 HydrophobicContact CG-CB 4.44Å; L262-C267 PolarHBondContact O-N 3.2Å; S265-C267 VanDerWaalsContact C-N 3.33Å; S265-C267 PolarHBondContact O-N 3.25Å; C267-I302 HydrophobicContact CB-CG2 4.46Å; C267-L381 WeakPolarHBondContact SG-CD2 3.5Å; C267-W384 HydrophobicContact CB-CE3 3.95Å; C267-W384 HydrophobicContact CB-CZ3 3.84Å |
| 268 | Q | 77.8 | Confident | 88.7 | Confident | 159 Ų | 159 | 63.6 Ų | 63.6 | 74% | 0.743 | 30% | 0.295 | S | S | * | . | trans | -83.7 | -27.1 | 176.3 | -63.6 | -174.6 | -2.9 | 0 | 0 | 112.5 | S265 K266 K270 | S265-Q268 WeakPolarHBondContact O-CB 3.39Å; S265-Q268 WeakPolarHBondContact O-CG 3.46Å; S265-Q268 PolarHBondContact O-N 3.02Å; S265-Q268 PolarHBondContact OG-N 3.36Å; K266-Q268 PolarHBondContact O-N 3.34Å; Q268-K270 PolarHBondContact O-N 2.74Å | ||
| 269 | D | 86.7 | Confident | 88.7 | Confident | 38 Ų | 38 | 63.6 Ų | 63.6 | 20% | 0.203 | 30% | 0.295 | C | S | . | . | trans | -77.9 | 86.4 | 179 | -175 | -7.2 | 0 | 0 | 0 | 111.4 | R261 L262 S265 E271 S272 L273 | R261-D269 IonicContact NE-OD2 2.7Å; L262-D269 WeakPolarHBondContact CD1-O 3.34Å; S265-D269 WeakPolarHBondContact OG-CB 3.36Å; S265-D269 PolarHBondContact OG-N 2.84Å; S265-D269 VanDerWaalsContact OG-N 3.14Å; D269-E271 VanDerWaalsContact C-N 3.27Å; D269-E271 PolarHBondContact O-N 3.42Å; D269-E271 PolarHBondContact OD1-N 2.96Å; D269-S272 VanDerWaalsContact CG-CB 3.45Å; D269-S272 PolarHBondContact O-N 3.48Å; D269-S272 PolarHBondContact OD1-N 3.48Å; D269-S272 VanDerWaalsContact OD2-CB 3.31Å; D269-S272 WeakPolarHBondContact OD2-CB 3.48Å; D269-S272 PolarHBondContact OD2-OG 2.71Å; D269-L273 PolarHBondContact O-N 2.73Å | ||
| 270 | K | 87 | Confident | 89 | Confident | 157 Ų | 157 | 63.3 Ų | 63.3 | 68% | 0.683 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.9 | -30.6 | 175.7 | -77 | -165.3 | 171.9 | -166.3 | 0 | 113.7 | Q268 L273 D274 | Q268-K270 PolarHBondContact O-N 2.74Å; K270-L273 WeakPolarHBondContact O-CB 3.28Å; K270-L273 PolarHBondContact O-N 2.85Å; K270-L273 VanDerWaalsContact O-N 3.15Å; K270-D274 PolarHBondContact O-N 3.17Å |
| 271 | E | 92.5 | Very high | 89.3 | Confident | 154 Ų | 154 | 66.1 Ų | 66.1 | 72% | 0.72 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -68.1 | -41.4 | -179.7 | -169.1 | 172.9 | -154.2 | 0 | 0 | 110.3 | D269 L273 D274 E275 | D269-E271 VanDerWaalsContact C-N 3.27Å; D269-E271 PolarHBondContact O-N 3.42Å; D269-E271 PolarHBondContact OD1-N 2.96Å; E271-L273 VanDerWaalsContact C-N 3.32Å; E271-L273 PolarHBondContact O-N 3.3Å; E271-D274 PolarHBondContact O-N 3.47Å; E271-E275 PolarHBondContact O-N 3.04Å |
| 272 | S | 93.4 | Very high | 89.6 | Confident | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.2 | -32.2 | 169.5 | -71.9 | 0 | 0 | 0 | 0 | 113.5 | R261 D269 A276 | R261-S272 VanDerWaalsContact CD-OG 3.28Å; R261-S272 WeakPolarHBondContact CD-OG 3.21Å; D269-S272 VanDerWaalsContact CG-CB 3.45Å; D269-S272 PolarHBondContact O-N 3.48Å; D269-S272 PolarHBondContact OD1-N 3.48Å; D269-S272 VanDerWaalsContact OD2-CB 3.31Å; D269-S272 WeakPolarHBondContact OD2-CB 3.48Å; D269-S272 PolarHBondContact OD2-OG 2.71Å; S272-A276 WeakPolarHBondContact O-CB 3.42Å; S272-A276 PolarHBondContact O-N 3.26Å |
| 273 | L | 92.7 | Very high | 89.8 | Confident | 14 Ų | 14 | 65 Ų | 65 | 7% | 0.073 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.4 | -50.1 | 173.9 | 175.3 | 59.2 | 0 | 0 | 0 | 111.3 | L262 D269 K270 E271 A276 I277 L299 I302 A303 | L262-L273 HydrophobicContact CD1-CB 3.88Å; L262-L273 HydrophobicContact CD2-CB 4.15Å; L262-L273 HydrophobicContact CD2-CD1 3.81Å; D269-L273 PolarHBondContact O-N 2.73Å; K270-L273 WeakPolarHBondContact O-CB 3.28Å; K270-L273 PolarHBondContact O-N 2.85Å; K270-L273 VanDerWaalsContact O-N 3.15Å; E271-L273 VanDerWaalsContact C-N 3.32Å; E271-L273 PolarHBondContact O-N 3.3Å; L273-A276 PolarHBondContact O-N 2.94Å; L273-I277 HydrophobicContact CD1-CD1 3.84Å; L273-I277 HydrophobicContact CD1-CG1 4.22Å; L273-I277 HydrophobicContact CG-CD1 4.02Å; L273-I277 WeakPolarHBondContact O-CG1 3.35Å; L273-I277 PolarHBondContact O-N 2.77Å; L273-L299 HydrophobicContact CD1-CB 4.2Å; L273-L299 HydrophobicContact CD1-CD2 3.71Å; L273-I302 HydrophobicContact CD1-CB 4.41Å; L273-I302 HydrophobicContact CD1-CG2 4.25Å; L273-I302 HydrophobicContact CD2-CG2 4.3Å; L273-A303 HydrophobicContact CD2-CB 4.09Å |
| 274 | D | 95 | Very high | 90.3 | Very high | 104 Ų | 104 | 61 Ų | 61 | 56% | 0.556 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -65 | -43 | -177.4 | -70.4 | -27.5 | 0 | 0 | 0 | 111.9 | K270 E271 I277 K278 | K270-D274 PolarHBondContact O-N 3.17Å; E271-D274 PolarHBondContact O-N 3.47Å; D274-I277 PolarHBondContact O-N 3.28Å; D274-K278 WeakPolarHBondContact O-CB 3.4Å; D274-K278 PolarHBondContact O-N 3.42Å |
| 275 | E | 95.9 | Very high | 90.8 | Very high | 47 Ų | 47 | 62.5 Ų | 62.5 | 22% | 0.22 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65 | -42.4 | 172.9 | -78.1 | -65 | 130.2 | 0 | 0 | 111.9 | Y258 E271 I277 K278 W279 | Y258-E275 HydrophobicContact CD1-CB 3.84Å; Y258-E275 HydrophobicContact CD2-CB 3.84Å; Y258-E275 HydrophobicContact CE1-CB 3.76Å; Y258-E275 HydrophobicContact CE1-CG 4.05Å; Y258-E275 HydrophobicContact CE2-CB 3.78Å; Y258-E275 HydrophobicContact CE2-CG 4.32Å; Y258-E275 HydrophobicContact CG-CB 3.87Å; E271-E275 PolarHBondContact O-N 3.04Å; E275-I277 VanDerWaalsContact C-N 3.34Å; E275-I277 PolarHBondContact O-N 2.91Å; E275-K278 WeakPolarHBondContact O-CB 3.27Å; E275-K278 PolarHBondContact O-N 2.81Å; E275-K278 VanDerWaalsContact OE1-CD 3.31Å; E275-K278 WeakPolarHBondContact OE1-CD 3.38Å; E275-K278 IonicContact OE1-NZ 3.27Å; E275-K278 PolarHBondContact OE1-NZ 2.97Å; E275-K278 IonicContact OE2-NZ 3.6Å; E275-K278 PolarHBondContact OE2-NZ 3.4Å; E275-W279 PolarHBondContact O-N 3.39Å; E275-W279 PolarHBondContact OE2-NE1 2.89Å |
| 276 | A | 95.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.7 | -45.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K259 S272 L273 W279 Y280 L299 | K259-A276 HydrophobicContact CB-CB 4.47Å; S272-A276 WeakPolarHBondContact O-CB 3.42Å; S272-A276 PolarHBondContact O-N 3.26Å; L273-A276 PolarHBondContact O-N 2.94Å; A276-W279 PolarHBondContact O-N 2.9Å; A276-Y280 VanDerWaalsContact O-CD2 3.27Å; A276-Y280 WeakPolarHBondContact O-CD2 3.48Å; A276-Y280 PolarHBondContact O-N 2.89Å; A276-L299 HydrophobicContact CB-CD1 3.68Å; A276-L299 HydrophobicContact CB-CD2 4.03Å |
| 277 | I | 95.9 | Very high | 91.6 | Very high | 12 Ų | 12 | 63.9 Ų | 63.9 | 6% | 0.062 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.3 | -50.6 | 175.6 | -70.9 | 169.8 | 0 | 0 | 0 | 110.3 | L273 D274 E275 W279 Y280 R281 L296 L299 L300 A303 | L273-I277 HydrophobicContact CD1-CD1 3.84Å; L273-I277 HydrophobicContact CD1-CG1 4.22Å; L273-I277 HydrophobicContact CG-CD1 4.02Å; L273-I277 WeakPolarHBondContact O-CG1 3.35Å; L273-I277 PolarHBondContact O-N 2.77Å; D274-I277 PolarHBondContact O-N 3.28Å; E275-I277 VanDerWaalsContact C-N 3.34Å; E275-I277 PolarHBondContact O-N 2.91Å; I277-W279 PolarHBondContact O-N 2.99Å; I277-Y280 PolarHBondContact O-N 3.34Å; I277-R281 WeakPolarHBondContact O-CB 3.45Å; I277-R281 PolarHBondContact O-N 3.46Å; I277-L296 HydrophobicContact CG2-CD1 4.06Å; I277-L299 HydrophobicContact CD1-CB 4.3Å; I277-L299 HydrophobicContact CG1-CB 3.57Å; I277-L299 HydrophobicContact CG1-CD1 4.48Å; I277-L300 HydrophobicContact CG2-CD2 4.38Å; I277-A303 HydrophobicContact CD1-CB 3.93Å |
| 278 | K | 96.3 | Very high | 92.1 | Very high | 96 Ų | 96 | 65.7 Ų | 65.7 | 42% | 0.417 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -55.4 | -47.1 | 178.8 | 168.3 | -170.4 | 166.7 | -155.2 | 0 | 112.6 | D274 E275 K282 | D274-K278 WeakPolarHBondContact O-CB 3.4Å; D274-K278 PolarHBondContact O-N 3.42Å; E275-K278 WeakPolarHBondContact O-CB 3.27Å; E275-K278 PolarHBondContact O-N 2.81Å; E275-K278 VanDerWaalsContact OE1-CD 3.31Å; E275-K278 WeakPolarHBondContact OE1-CD 3.38Å; E275-K278 IonicContact OE1-NZ 3.27Å; E275-K278 PolarHBondContact OE1-NZ 2.97Å; E275-K278 IonicContact OE2-NZ 3.6Å; E275-K278 PolarHBondContact OE2-NZ 3.4Å; K278-K282 WeakPolarHBondContact O-CB 3.31Å; K278-K282 PolarHBondContact O-N 3.09Å |
| 279 | W | 96.2 | Very high | 92.6 | Very high | 30 Ų | 30 | 59.9 Ų | 59.9 | 11% | 0.114 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.3 | -42.6 | -178.7 | -72 | 113.1 | 0 | 0 | 0 | 112.9 | L237 L240 L251 A254 Y258 E275 A276 I277 G283 | L237-W279 HydrophobicContact CD2-CH2 4.1Å; L237-W279 HydrophobicContact CD2-CZ2 3.5Å; L240-W279 HydrophobicContact CD1-CE3 4.22Å; L240-W279 HydrophobicContact CD1-CH2 4.09Å; L240-W279 HydrophobicContact CD1-CZ3 3.78Å; L251-W279 HydrophobicContact CD2-CE3 3.58Å; L251-W279 HydrophobicContact CD2-CZ3 3.54Å; A254-W279 HydrophobicContact CB-CD2 4.03Å; A254-W279 HydrophobicContact CB-CE3 4.42Å; A254-W279 HydrophobicContact CB-CG 4.04Å; Y258-W279 AromaticContact CD2-CD1 3.67Å; Y258-W279 AromaticContact CE2-CD1 3.63Å; Y258-W279 AromaticContact CE2-NE1 3.5Å; E275-W279 PolarHBondContact O-N 3.39Å; E275-W279 PolarHBondContact OE2-NE1 2.89Å; A276-W279 PolarHBondContact O-N 2.9Å; I277-W279 PolarHBondContact O-N 2.99Å; W279-G283 PolarHBondContact O-N 2.9Å |
| 280 | Y | 96.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.7 | -37.7 | 175.4 | -80.3 | -66.8 | 0 | 0 | 0 | 112.7 | C252 G255 R256 K259 A276 I277 G283 F284 Y291 N295 L299 | C252-Y280 HydrophobicContact CB-CD1 4.04Å; C252-Y280 HydrophobicContact CB-CE1 3.74Å; G255-Y280 WeakPolarHBondContact O-CE2 3.27Å; R256-Y280 WeakPolarHBondContact CA-OH 3.36Å; R256-Y280 WeakPolarHBondContact CB-OH 3.36Å; R256-Y280 PolarHBondContact N-OH 3.29Å; K259-Y280 HydrophobicContact CB-CE2 4.47Å; A276-Y280 VanDerWaalsContact O-CD2 3.27Å; A276-Y280 WeakPolarHBondContact O-CD2 3.48Å; A276-Y280 PolarHBondContact O-N 2.89Å; I277-Y280 PolarHBondContact O-N 3.34Å; Y280-G283 PolarHBondContact O-N 3.09Å; Y280-F284 WeakPolarHBondContact O-CB 3.31Å; Y280-F284 PolarHBondContact O-N 3.35Å; Y280-Y291 HydrophobicContact CE1-CE1 4.3Å; Y280-N295 HydrophobicContact CD1-CB 3.7Å; Y280-N295 HydrophobicContact CD2-CB 3.95Å; Y280-N295 HydrophobicContact CE1-CB 3.43Å; Y280-N295 VanDerWaalsContact CE1-CB 3.43Å; Y280-N295 HydrophobicContact CE2-CB 3.7Å; Y280-N295 HydrophobicContact CG-CB 3.94Å; Y280-N295 VanDerWaalsContact CZ-CB 3.42Å; Y280-L299 HydrophobicContact CD2-CD1 3.45Å; Y280-L299 VanDerWaalsContact CD2-CD1 3.45Å; Y280-L299 HydrophobicContact CE2-CD1 3.93Å; Y280-L299 HydrophobicContact CG-CD1 4.43Å |
| 281 | R | 96.3 | Very high | 92.5 | Very high | 76 Ų | 76 | 55.5 Ų | 55.5 | 29% | 0.287 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58 | -53.5 | 173.1 | -177.8 | -179.5 | -70.5 | 130 | -4.7 | 110.9 | I277 G283 F284 E285 L296 E312 | I277-R281 WeakPolarHBondContact O-CB 3.45Å; I277-R281 PolarHBondContact O-N 3.46Å; R281-G283 VanDerWaalsContact C-N 3.29Å; R281-G283 PolarHBondContact O-N 3.44Å; R281-F284 PolarHBondContact O-N 3.12Å; R281-F284 VanDerWaalsContact O-N 3.08Å; R281-E285 HydrophobicContact CG-CG 4.31Å; R281-E285 WeakPolarHBondContact CG-OE1 3.15Å; R281-E285 WeakPolarHBondContact O-CG 3.37Å; R281-E285 PolarHBondContact O-N 2.82Å; R281-L296 HydrophobicContact CB-CD1 3.96Å; R281-L296 HydrophobicContact CB-CD2 4.18Å; R281-E312 IonicContact CZ-OE1 3.68Å; R281-E312 IonicContact CZ-OE2 2.76Å; R281-E312 IonicContact NE-OE1 3.81Å; R281-E312 PolarHBondContact NE-OE1 3.45Å; R281-E312 IonicContact NE-OE2 3.48Å; R281-E312 IonicContact NH2-OE1 2.65Å; R281-E312 PolarHBondContact NH2-OE1 3.36Å; R281-E312 IonicContact NH2-OE2 3.54Å; R281-E312 PolarHBondContact NH2-OE2 2.81Å |
| 282 | K | 94.5 | Very high | 92.4 | Very high | 69 Ų | 69 | 48.1 Ų | 48.1 | 30% | 0.3 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.5 | -38.5 | 178.1 | -172 | 174.9 | 174.8 | -175.7 | 0 | 112.5 | L251 K278 I286 | L251-K282 HydrophobicContact CD1-CG 4.3Å; L251-K282 HydrophobicContact CD2-CD 4.13Å; L251-K282 HydrophobicContact CD2-CG 4.46Å; K278-K282 WeakPolarHBondContact O-CB 3.31Å; K278-K282 PolarHBondContact O-N 3.09Å; K282-I286 HydrophobicContact CG-CD1 4.19Å; K282-I286 WeakPolarHBondContact O-CD1 3.26Å; K282-I286 WeakPolarHBondContact O-CG1 3.39Å; K282-I286 PolarHBondContact O-N 2.92Å |
| 283 | G | 91.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64 | -40.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | W279 Y280 R281 Q287 | W279-G283 PolarHBondContact O-N 2.9Å; Y280-G283 PolarHBondContact O-N 3.09Å; R281-G283 VanDerWaalsContact C-N 3.29Å; R281-G283 PolarHBondContact O-N 3.44Å; G283-Q287 PolarHBondContact O-N 2.97Å |
| 284 | F | 93.5 | Very high | 92.2 | Very high | 17 Ų | 17 | 47.6 Ų | 47.6 | 8% | 0.075 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -73.7 | -36.5 | 179.3 | -169.3 | -104.1 | 0 | 0 | 0 | 112.9 | Y280 R281 Q287 P288 A292 G293 L296 I316 I319 | Y280-F284 WeakPolarHBondContact O-CB 3.31Å; Y280-F284 PolarHBondContact O-N 3.35Å; R281-F284 PolarHBondContact O-N 3.12Å; R281-F284 VanDerWaalsContact O-N 3.08Å; F284-Q287 CarbonylContact O-C 3.54Å; F284-Q287 VanDerWaalsContact O-C 3.27Å; F284-P288 HydrophobicContact CD2-CB 4.39Å; F284-P288 HydrophobicContact CE1-CB 4.44Å; F284-P288 HydrophobicContact CE2-CB 3.99Å; F284-P288 HydrophobicContact CZ-CB 4.03Å; F284-P288 WeakPolarHBondContact O-CA 3.31Å; F284-P288 VanDerWaalsContact O-CD 3.32Å; F284-P288 WeakPolarHBondContact O-CD 3.45Å; F284-P288 WeakPolarHBondContact O-CG 3.49Å; F284-P288 VanDerWaalsContact O-N 3.09Å; F284-A292 HydrophobicContact CB-CB 4.02Å; F284-A292 HydrophobicContact CD2-CB 4.09Å; F284-G293 VanDerWaalsContact CD2-CA 3.47Å; F284-L296 HydrophobicContact CB-CD2 4.22Å; F284-L296 HydrophobicContact CD1-CD2 4.4Å; F284-L296 HydrophobicContact CG-CD2 4.45Å; F284-I316 HydrophobicContact CD1-CG1 4.4Å; F284-I316 HydrophobicContact CE1-CG1 3.9Å; F284-I316 HydrophobicContact CZ-CG1 4.34Å; F284-I316 HydrophobicContact CZ-CG2 4.29Å; F284-I319 HydrophobicContact CE1-CD1 3.97Å; F284-I319 HydrophobicContact CE2-CG2 4.45Å; F284-I319 HydrophobicContact CZ-CB 4.16Å; F284-I319 HydrophobicContact CZ-CD1 4.01Å; F284-I319 HydrophobicContact CZ-CG2 3.85Å |
| 285 | E | 92.4 | Very high | 92.1 | Very high | 135 Ų | 135 | 42.8 Ų | 42.8 | 63% | 0.631 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -62.4 | -39.9 | 174 | -74.7 | 170.9 | 174.5 | 0 | 0 | 112.3 | R281 | R281-E285 HydrophobicContact CG-CG 4.31Å; R281-E285 WeakPolarHBondContact CG-OE1 3.15Å; R281-E285 WeakPolarHBondContact O-CG 3.37Å; R281-E285 PolarHBondContact O-N 2.82Å |
| 286 | I | 89.8 | Confident | 92 | Very high | 87 Ų | 87 | 40.6 Ų | 40.6 | 45% | 0.446 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -70.5 | -45 | 178.2 | -71.7 | 167.6 | 0 | 0 | 0 | 111.3 | P248 L251 K282 | P248-I286 HydrophobicContact CG-CG2 4.26Å; L251-I286 HydrophobicContact CD1-CD1 3.54Å; K282-I286 HydrophobicContact CG-CD1 4.19Å; K282-I286 WeakPolarHBondContact O-CD1 3.26Å; K282-I286 WeakPolarHBondContact O-CG1 3.39Å; K282-I286 PolarHBondContact O-N 2.92Å |
| 287 | Q | 87.2 | Confident | 91.8 | Very high | 115 Ų | 115 | 40.7 Ų | 40.7 | 54% | 0.537 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -149 | 103.2 | 177 | -172 | 179 | -3.6 | 0 | 0 | 110.4 | P248 G283 F284 N289 | P248-Q287 HydrophobicContact CG-CB 3.64Å; G283-Q287 PolarHBondContact O-N 2.97Å; F284-Q287 CarbonylContact O-C 3.54Å; F284-Q287 VanDerWaalsContact O-C 3.27Å; Q287-N289 PolarHBondContact O-N 3.25Å; Q287-N289 PolarHBondContact O-ND2 3.43Å |
| 288 | P | 88 | Confident | 91.6 | Very high | 67 Ų | 67 | 40.1 Ų | 40.1 | 44% | 0.435 | 19% | 0.187 | S | C | . | . | trans | -60 | 114.2 | 176.8 | -24.8 | 33.7 | 0 | 0 | 0 | 110.9 | F284 I319 | F284-P288 HydrophobicContact CD2-CB 4.39Å; F284-P288 HydrophobicContact CE1-CB 4.44Å; F284-P288 HydrophobicContact CE2-CB 3.99Å; F284-P288 HydrophobicContact CZ-CB 4.03Å; F284-P288 WeakPolarHBondContact O-CA 3.31Å; F284-P288 VanDerWaalsContact O-CD 3.32Å; F284-P288 WeakPolarHBondContact O-CD 3.45Å; F284-P288 WeakPolarHBondContact O-CG 3.49Å; F284-P288 VanDerWaalsContact O-N 3.09Å; P288-I319 HydrophobicContact CB-CG2 4Å | ||
| 289 | N | 87.5 | Confident | 91.4 | Very high | 37 Ų | 37 | 35.5 Ų | 35.5 | 20% | 0.198 | 17% | 0.167 | C | C | . | . | trans | -143.3 | 160.3 | -177.5 | 71.8 | 79.2 | 0 | 0 | 0 | 110.9 | Q287 Y291 A292 G293 | Q287-N289 PolarHBondContact O-N 3.25Å; Q287-N289 PolarHBondContact O-ND2 3.43Å; N289-Y291 PolarHBondContact O-N 3.26Å; N289-Y291 PolarHBondContact OD1-N 3.38Å; N289-A292 WeakPolarHBondContact ND2-CB 3.36Å; N289-A292 PolarHBondContact OD1-N 2.95Å; N289-G293 PolarHBondContact O-N 3.47Å | ||
| 290 | E | 85.9 | Confident | 91.1 | Very high | 34 Ų | 34 | 34.5 Ų | 34.5 | 16% | 0.159 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61 | -46.2 | -173 | -68.3 | 159.2 | 158 | 0 | 0 | 111.9 | I294 L320 L323 K327 T341 | E290-I294 VanDerWaalsContact O-CB 3.32Å; E290-I294 WeakPolarHBondContact O-CB 3.33Å; E290-I294 PolarHBondContact O-N 3.45Å; E290-L320 HydrophobicContact CB-CD2 4.44Å; E290-L320 HydrophobicContact CG-CD2 4.43Å; E290-L323 HydrophobicContact CG-CB 4.22Å; E290-L323 HydrophobicContact CG-CD1 4.2Å; E290-K327 WeakPolarHBondContact OE1-CE 3.42Å; E290-K327 IonicContact OE1-NZ 3.26Å; E290-K327 PolarHBondContact OE1-NZ 3.39Å; E290-K327 IonicContact OE2-NZ 2.91Å; E290-K327 PolarHBondContact OE2-NZ 2.85Å; E290-T341 HydrophobicContact CB-CG2 3.99Å; E290-T341 HydrophobicContact CG-CG2 4.19Å |
| 291 | Y | 86.4 | Confident | 90.7 | Very high | 68 Ų | 68 | 34.7 Ų | 34.7 | 27% | 0.267 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -64.4 | -47.1 | -178.8 | 178.5 | -114.7 | 0 | 0 | 0 | 112.7 | C252 R256 Y280 N289 N295 | C252-Y291 HydrophobicContact CB-CD1 3.94Å; C252-Y291 HydrophobicContact CB-CE1 3.53Å; R256-Y291 WeakPolarHBondContact CD-OH 3.3Å; R256-Y291 PolarHBondContact NH1-OH 2.92Å; Y280-Y291 HydrophobicContact CE1-CE1 4.3Å; N289-Y291 PolarHBondContact O-N 3.26Å; N289-Y291 PolarHBondContact OD1-N 3.38Å; Y291-N295 WeakPolarHBondContact CD2-ND2 3.33Å; Y291-N295 WeakPolarHBondContact CE2-ND2 3.34Å; Y291-N295 PolarHBondContact O-N 3.09Å; Y291-N295 PolarHBondContact O-ND2 2.72Å |
| 292 | A | 90.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.7 | -45.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F284 N289 L296 | F284-A292 HydrophobicContact CB-CB 4.02Å; F284-A292 HydrophobicContact CD2-CB 4.09Å; N289-A292 WeakPolarHBondContact ND2-CB 3.36Å; N289-A292 PolarHBondContact OD1-N 2.95Å; A292-L296 WeakPolarHBondContact O-CB 3.28Å; A292-L296 PolarHBondContact O-N 3.37Å |
| 293 | G | 91.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.2 | -42.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F284 N289 N295 L296 A297 I316 | F284-G293 VanDerWaalsContact CD2-CA 3.47Å; N289-G293 PolarHBondContact O-N 3.47Å; G293-N295 PolarHBondContact O-N 3.41Å; G293-L296 PolarHBondContact O-N 2.98Å; G293-A297 WeakPolarHBondContact O-CB 3.39Å; G293-A297 PolarHBondContact O-N 2.9Å; G293-I316 WeakPolarHBondContact O-CG2 3.31Å |
| 294 | I | 90 | Very high | 89.5 | Confident | 6 Ų | 6 | 32.7 Ų | 32.7 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.8 | -38.9 | -178 | -146.5 | 69.6 | 0 | 0 | 0 | 112.1 | E290 T298 L320 T341 E344 I345 L348 | E290-I294 VanDerWaalsContact O-CB 3.32Å; E290-I294 WeakPolarHBondContact O-CB 3.33Å; E290-I294 PolarHBondContact O-N 3.45Å; I294-T298 VanDerWaalsContact O-CB 3.3Å; I294-T298 WeakPolarHBondContact O-CB 3.43Å; I294-T298 PolarHBondContact O-N 3.07Å; I294-T298 PolarHBondContact O-OG1 3.32Å; I294-L320 HydrophobicContact CD1-CD1 3.9Å; I294-T341 HydrophobicContact CD1-CG2 4.01Å; I294-E344 HydrophobicContact CD1-CB 3.77Å; I294-E344 HydrophobicContact CG1-CB 3.55Å; I294-E344 HydrophobicContact CG1-CG 4.36Å; I294-E344 VanDerWaalsContact CG1-OE2 3.25Å; I294-E344 WeakPolarHBondContact CG1-OE2 3.33Å; I294-I345 HydrophobicContact CD1-CD1 4.4Å; I294-I345 HydrophobicContact CD1-CG1 3.52Å; I294-L348 HydrophobicContact CD1-CD1 4.3Å |
| 295 | N | 91.9 | Very high | 89.2 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.011 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -71.9 | -41.3 | 177.2 | -74 | -77 | 0 | 0 | 0 | 111.2 | K259 Y280 Y291 G293 T298 L299 N378 | K259-N295 PolarHBondContact NZ-OD1 2.99Å; Y280-N295 HydrophobicContact CD1-CB 3.7Å; Y280-N295 HydrophobicContact CD2-CB 3.95Å; Y280-N295 HydrophobicContact CE1-CB 3.43Å; Y280-N295 VanDerWaalsContact CE1-CB 3.43Å; Y280-N295 HydrophobicContact CE2-CB 3.7Å; Y280-N295 HydrophobicContact CG-CB 3.94Å; Y280-N295 VanDerWaalsContact CZ-CB 3.42Å; Y291-N295 WeakPolarHBondContact CD2-ND2 3.33Å; Y291-N295 WeakPolarHBondContact CE2-ND2 3.34Å; Y291-N295 PolarHBondContact O-N 3.09Å; Y291-N295 PolarHBondContact O-ND2 2.72Å; G293-N295 PolarHBondContact O-N 3.41Å; N295-T298 WeakPolarHBondContact O-CB 3.39Å; N295-T298 PolarHBondContact O-N 3.43Å; N295-L299 WeakPolarHBondContact O-CB 3.44Å; N295-L299 WeakPolarHBondContact O-CD1 3.5Å; N295-L299 VanDerWaalsContact O-CG 3.25Å; N295-L299 WeakPolarHBondContact O-CG 3.4Å; N295-L299 PolarHBondContact O-N 3.13Å; N295-N378 PolarHBondContact OD1-ND2 3.23Å; N295-N378 PolarHBondContact OD1-OD1 2.94Å |
| 296 | L | 94.3 | Very high | 88.7 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.3 | -48.6 | 174.7 | -177.1 | 58.1 | 0 | 0 | 0 | 111.6 | I277 R281 F284 A292 G293 T298 L299 L300 I316 | I277-L296 HydrophobicContact CG2-CD1 4.06Å; R281-L296 HydrophobicContact CB-CD1 3.96Å; R281-L296 HydrophobicContact CB-CD2 4.18Å; F284-L296 HydrophobicContact CB-CD2 4.22Å; F284-L296 HydrophobicContact CD1-CD2 4.4Å; F284-L296 HydrophobicContact CG-CD2 4.45Å; A292-L296 WeakPolarHBondContact O-CB 3.28Å; A292-L296 PolarHBondContact O-N 3.37Å; G293-L296 PolarHBondContact O-N 2.98Å; L296-T298 VanDerWaalsContact C-N 3.33Å; L296-T298 PolarHBondContact O-N 3.15Å; L296-L299 PolarHBondContact O-N 3.44Å; L296-L300 HydrophobicContact CD1-CD1 4.34Å; L296-L300 HydrophobicContact CD1-CG 4.34Å; L296-L300 HydrophobicContact CG-CD1 4.11Å; L296-L300 WeakPolarHBondContact O-CG 3.47Å; L296-L300 PolarHBondContact O-N 3.29Å; L296-I316 HydrophobicContact CB-CD1 4.38Å; L296-I316 HydrophobicContact CD2-CD1 3.53Å; L296-I316 HydrophobicContact CD2-CG1 4.29Å; L296-I316 HydrophobicContact CG-CD1 3.7Å |
| 297 | A | 91.9 | Very high | 88.2 | Confident | 2 Ų | 2 | 29.6 Ų | 29.6 | 2% | 0.017 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.4 | -40.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G293 V301 L313 I316 L348 | G293-A297 WeakPolarHBondContact O-CB 3.39Å; G293-A297 PolarHBondContact O-N 2.9Å; A297-V301 WeakPolarHBondContact O-CG2 3.48Å; A297-V301 PolarHBondContact O-N 2.91Å; A297-V301 VanDerWaalsContact O-N 3.14Å; A297-L313 HydrophobicContact CB-CD1 3.69Å; A297-L313 WeakPolarHBondContact O-CD1 3.4Å; A297-I316 HydrophobicContact CB-CG2 4Å; A297-L348 HydrophobicContact CB-CD1 3.96Å |
| 298 | T | 90.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.1 | -46.8 | 173.8 | -64.3 | 0 | 0 | 0 | 0 | 111.6 | I294 N295 L296 V301 I302 N378 I382 | I294-T298 VanDerWaalsContact O-CB 3.3Å; I294-T298 WeakPolarHBondContact O-CB 3.43Å; I294-T298 PolarHBondContact O-N 3.07Å; I294-T298 PolarHBondContact O-OG1 3.32Å; N295-T298 WeakPolarHBondContact O-CB 3.39Å; N295-T298 PolarHBondContact O-N 3.43Å; L296-T298 VanDerWaalsContact C-N 3.33Å; L296-T298 PolarHBondContact O-N 3.15Å; T298-V301 PolarHBondContact O-N 3.5Å; T298-I302 HydrophobicContact CG2-CD1 3.94Å; T298-I302 WeakPolarHBondContact O-CD1 3.48Å; T298-I302 VanDerWaalsContact O-CG1 3.27Å; T298-I302 WeakPolarHBondContact O-CG1 3.32Å; T298-I302 PolarHBondContact O-N 3.21Å; T298-I302 VanDerWaalsContact O-N 3.15Å; T298-N378 HydrophobicContact CG2-CB 4.27Å; T298-I382 HydrophobicContact CG2-CD1 4.27Å; T298-I382 HydrophobicContact CG2-CG1 3.98Å |
| 299 | L | 91.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.6 | -38.8 | -179 | -69.6 | 162.1 | 0 | 0 | 0 | 113 | K259 L262 L273 A276 I277 Y280 N295 L296 V301 I302 A303 | K259-L299 HydrophobicContact CG-CD2 4.17Å; L262-L299 HydrophobicContact CD2-CD2 3.91Å; L273-L299 HydrophobicContact CD1-CB 4.2Å; L273-L299 HydrophobicContact CD1-CD2 3.71Å; A276-L299 HydrophobicContact CB-CD1 3.68Å; A276-L299 HydrophobicContact CB-CD2 4.03Å; I277-L299 HydrophobicContact CD1-CB 4.3Å; I277-L299 HydrophobicContact CG1-CB 3.57Å; I277-L299 HydrophobicContact CG1-CD1 4.48Å; Y280-L299 HydrophobicContact CD2-CD1 3.45Å; Y280-L299 VanDerWaalsContact CD2-CD1 3.45Å; Y280-L299 HydrophobicContact CE2-CD1 3.93Å; Y280-L299 HydrophobicContact CG-CD1 4.43Å; N295-L299 WeakPolarHBondContact O-CB 3.44Å; N295-L299 WeakPolarHBondContact O-CD1 3.5Å; N295-L299 VanDerWaalsContact O-CG 3.25Å; N295-L299 WeakPolarHBondContact O-CG 3.4Å; N295-L299 PolarHBondContact O-N 3.13Å; L296-L299 PolarHBondContact O-N 3.44Å; L299-V301 VanDerWaalsContact C-N 3.33Å; L299-V301 PolarHBondContact O-N 2.81Å; L299-I302 HydrophobicContact CD2-CD1 4.39Å; L299-I302 PolarHBondContact O-N 3.38Å; L299-A303 PolarHBondContact O-N 2.94Å |
| 300 | L | 91.2 | Very high | 87.5 | Confident | 8 Ų | 8 | 33 Ų | 33 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.1 | -42 | 173.6 | -73.2 | 170.8 | 0 | 0 | 0 | 111.6 | I277 L296 I302 A303 G304 E305 E312 L313 I316 | I277-L300 HydrophobicContact CG2-CD2 4.38Å; L296-L300 HydrophobicContact CD1-CD1 4.34Å; L296-L300 HydrophobicContact CD1-CG 4.34Å; L296-L300 HydrophobicContact CG-CD1 4.11Å; L296-L300 WeakPolarHBondContact O-CG 3.47Å; L296-L300 PolarHBondContact O-N 3.29Å; L300-I302 VanDerWaalsContact C-N 3.34Å; L300-I302 PolarHBondContact O-N 3.45Å; L300-A303 WeakPolarHBondContact O-CB 3.35Å; L300-A303 PolarHBondContact O-N 3.13Å; L300-G304 PolarHBondContact O-N 3.33Å; L300-E305 HydrophobicContact CB-CB 4.37Å; L300-E305 WeakPolarHBondContact O-CB 3.3Å; L300-E305 PolarHBondContact O-N 3.4Å; L300-E312 HydrophobicContact CD1-CG 4.11Å; L300-L313 HydrophobicContact CB-CD1 3.94Å; L300-L313 HydrophobicContact CD1-CD1 4.11Å; L300-I316 HydrophobicContact CD1-CD1 3.72Å |
| 301 | V | 87.4 | Confident | 87.6 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.024 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.9 | -38.2 | 174.8 | 170.1 | 0 | 0 | 0 | 0 | 111.8 | A297 T298 L299 A303 G304 L313 L348 Y385 | A297-V301 WeakPolarHBondContact O-CG2 3.48Å; A297-V301 PolarHBondContact O-N 2.91Å; A297-V301 VanDerWaalsContact O-N 3.14Å; T298-V301 PolarHBondContact O-N 3.5Å; L299-V301 VanDerWaalsContact C-N 3.33Å; L299-V301 PolarHBondContact O-N 2.81Å; V301-A303 VanDerWaalsContact C-N 3.34Å; V301-G304 PolarHBondContact O-N 2.94Å; V301-G304 VanDerWaalsContact O-N 3.09Å; V301-L313 HydrophobicContact CG2-CD1 4.23Å; V301-L313 HydrophobicContact CG2-CD2 3.84Å; V301-L348 HydrophobicContact CB-CD2 4.31Å; V301-L348 HydrophobicContact CG2-CD2 3.89Å; V301-Y385 HydrophobicContact CG1-CD1 4.33Å; V301-Y385 WeakPolarHBondContact O-CE1 3.21Å |
| 302 | I | 85.8 | Confident | 87.9 | Confident | 15 Ų | 15 | 36.6 Ų | 36.6 | 8% | 0.077 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.7 | -33.6 | 175.4 | -62 | 156.8 | 0 | 0 | 0 | 111.8 | L262 C267 L273 T298 L299 L300 G304 L381 Y385 | L262-I302 HydrophobicContact CD2-CG2 4.45Å; C267-I302 HydrophobicContact CB-CG2 4.46Å; L273-I302 HydrophobicContact CD1-CB 4.41Å; L273-I302 HydrophobicContact CD1-CG2 4.25Å; L273-I302 HydrophobicContact CD2-CG2 4.3Å; T298-I302 HydrophobicContact CG2-CD1 3.94Å; T298-I302 WeakPolarHBondContact O-CD1 3.48Å; T298-I302 VanDerWaalsContact O-CG1 3.27Å; T298-I302 WeakPolarHBondContact O-CG1 3.32Å; T298-I302 PolarHBondContact O-N 3.21Å; T298-I302 VanDerWaalsContact O-N 3.15Å; L299-I302 HydrophobicContact CD2-CD1 4.39Å; L299-I302 PolarHBondContact O-N 3.38Å; L300-I302 VanDerWaalsContact C-N 3.34Å; L300-I302 PolarHBondContact O-N 3.45Å; I302-G304 PolarHBondContact O-N 3.43Å; I302-L381 HydrophobicContact CD1-CB 3.55Å; I302-L381 HydrophobicContact CD1-CD1 4.14Å; I302-L381 HydrophobicContact CD1-CD2 4.39Å; I302-L381 HydrophobicContact CD1-CG 4.24Å; I302-L381 HydrophobicContact CG1-CB 4.28Å; I302-Y385 WeakPolarHBondContact O-CD2 3.39Å; I302-Y385 WeakPolarHBondContact O-CE2 3.37Å |
| 303 | A | 88 | Confident | 87.9 | Confident | 54 Ų | 54 | 36.6 Ų | 36.6 | 45% | 0.446 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68.8 | -12.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L273 I277 L299 L300 V301 | L273-A303 HydrophobicContact CD2-CB 4.09Å; I277-A303 HydrophobicContact CD1-CB 3.93Å; L299-A303 PolarHBondContact O-N 2.94Å; L300-A303 WeakPolarHBondContact O-CB 3.35Å; L300-A303 PolarHBondContact O-N 3.13Å; V301-A303 VanDerWaalsContact C-N 3.34Å |
| 304 | G | 83.9 | Confident | 87.7 | Confident | 34 Ų | 34 | 40.7 Ų | 40.7 | 35% | 0.351 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 105.7 | 11.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L300 V301 I302 Y385 | L300-G304 PolarHBondContact O-N 3.33Å; V301-G304 PolarHBondContact O-N 2.94Å; V301-G304 VanDerWaalsContact O-N 3.09Å; I302-G304 PolarHBondContact O-N 3.43Å; G304-Y385 VanDerWaalsContact CA-OH 3.27Å; G304-Y385 WeakPolarHBondContact CA-OH 3.44Å |
| 305 | E | 87 | Confident | 87.7 | Confident | 78 Ų | 78 | 46.3 Ų | 46.3 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | trans | -77.2 | 152.9 | 173.6 | -69 | -60.5 | 168 | 0 | 0 | 112.8 | L300 T309 C310 | L300-E305 HydrophobicContact CB-CB 4.37Å; L300-E305 WeakPolarHBondContact O-CB 3.3Å; L300-E305 PolarHBondContact O-N 3.4Å; E305-T309 PolarHBondContact OE2-OG1 3.34Å; E305-T309 VanDerWaalsContact OE2-OG1 3.12Å; E305-C310 HydrophobicContact CB-CB 3.81Å; E305-C310 HydrophobicContact CG-CB 4.07Å; E305-C310 WeakPolarHBondContact OE2-CB 3.33Å | ||
| 306 | S | 81.3 | Confident | 87.6 | Confident | 40 Ų | 40 | 46.4 Ų | 46.4 | 28% | 0.28 | 25% | 0.252 | S | S | . | . | trans | -129.1 | 159.4 | 177.4 | 78.4 | 0 | 0 | 0 | 0 | 111.3 | Q308 T309 C310 | S306-Q308 PolarHBondContact O-N 2.97Å; S306-Q308 VanDerWaalsContact O-N 3.08Å; S306-Q308 PolarHBondContact OG-N 3.19Å; S306-T309 PolarHBondContact N-OG1 3.48Å; S306-T309 VanDerWaalsContact N-OG1 3.13Å; S306-T309 PolarHBondContact O-N 3.47Å; S306-T309 VanDerWaalsContact O-N 3.1Å; S306-T309 PolarHBondContact O-OG1 2.65Å; S306-T309 WeakPolarHBondContact OG-CG2 3.16Å; S306-T309 PolarHBondContact OG-N 3.39Å; S306-T309 PolarHBondContact OG-OG1 3.16Å; S306-C310 WeakPolarHBondContact O-CB 3.46Å; S306-C310 PolarHBondContact O-N 3.14Å | ||
| 307 | F | 81.1 | Confident | 87.1 | Confident | 57 Ų | 57 | 47.1 Ų | 47.1 | 25% | 0.25 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -16.5 | 172.9 | -80 | -68.1 | 0 | 0 | 0 | 113.8 | L313 Q314 A317 L348 | F307-L313 HydrophobicContact CD1-CD2 3.91Å; F307-L313 HydrophobicContact CD1-CG 3.96Å; F307-L313 HydrophobicContact CD2-CD2 4.03Å; F307-L313 HydrophobicContact CE1-CB 4.45Å; F307-L313 HydrophobicContact CE1-CD2 3.94Å; F307-L313 HydrophobicContact CE1-CG 3.64Å; F307-L313 WeakPolarHBondContact CE1-O 3.47Å; F307-L313 HydrophobicContact CE2-CD2 4.06Å; F307-L313 HydrophobicContact CE2-CG 4.46Å; F307-L313 HydrophobicContact CG-CD2 3.95Å; F307-L313 HydrophobicContact CG-CG 4.49Å; F307-L313 HydrophobicContact CZ-CD2 4.03Å; F307-L313 HydrophobicContact CZ-CG 3.92Å; F307-Q314 HydrophobicContact CD1-CG 4.48Å; F307-Q314 WeakPolarHBondContact O-CG 3.41Å; F307-Q314 PolarHBondContact O-NE2 3.25Å; F307-A317 HydrophobicContact CE1-CB 3.44Å; F307-A317 VanDerWaalsContact CE1-CB 3.44Å; F307-A317 HydrophobicContact CZ-CB 3.88Å; F307-L348 HydrophobicContact CE2-CB 4.03Å; F307-L348 WeakPolarHBondContact CE2-O 3.28Å; F307-L348 HydrophobicContact CZ-CB 4.38Å |
| 308 | Q | 78.1 | Confident | 86.8 | Confident | 183 Ų | 183 | 53.3 Ų | 53.3 | 86% | 0.855 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -23.9 | 179.1 | -64.1 | 166.4 | 3.2 | 0 | 0 | 112.1 | S306 | S306-Q308 PolarHBondContact O-N 2.97Å; S306-Q308 VanDerWaalsContact O-N 3.08Å; S306-Q308 PolarHBondContact OG-N 3.19Å |
| 309 | T | 80 | Confident | 86.7 | Confident | 96 Ų | 96 | 56 Ų | 56 | 59% | 0.589 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | -31.6 | -174.7 | 56 | 0 | 0 | 0 | 0 | 113.6 | E305 S306 | E305-T309 PolarHBondContact OE2-OG1 3.34Å; E305-T309 VanDerWaalsContact OE2-OG1 3.12Å; S306-T309 PolarHBondContact N-OG1 3.48Å; S306-T309 VanDerWaalsContact N-OG1 3.13Å; S306-T309 PolarHBondContact O-N 3.47Å; S306-T309 VanDerWaalsContact O-N 3.1Å; S306-T309 PolarHBondContact O-OG1 2.65Å; S306-T309 WeakPolarHBondContact OG-CG2 3.16Å; S306-T309 PolarHBondContact OG-N 3.39Å; S306-T309 PolarHBondContact OG-OG1 3.16Å |
| 310 | C | 88.3 | Confident | 86.4 | Confident | 12 Ų | 12 | 56.1 Ų | 56.1 | 8% | 0.081 | 30% | 0.302 | C | S | . | . | trans | -107.4 | 108.2 | -167.3 | -168.8 | 0 | 0 | 0 | 0 | 113.1 | E305 S306 E312 L313 Q314 | E305-C310 HydrophobicContact CB-CB 3.81Å; E305-C310 HydrophobicContact CG-CB 4.07Å; E305-C310 WeakPolarHBondContact OE2-CB 3.33Å; S306-C310 WeakPolarHBondContact O-CB 3.46Å; S306-C310 PolarHBondContact O-N 3.14Å; C310-E312 VanDerWaalsContact C-N 3.3Å; C310-E312 PolarHBondContact O-N 3.43Å; C310-L313 HydrophobicContact CB-CB 3.74Å; C310-L313 PolarHBondContact O-N 2.69Å; C310-L313 PolarHBondContact SG-N 3.31Å; C310-Q314 WeakPolarHBondContact O-CG 3.47Å; C310-Q314 PolarHBondContact O-N 3.04Å; C310-Q314 VanDerWaalsContact O-N 3.1Å | ||
| 311 | N | 89.3 | Confident | 85.9 | Confident | 121 Ų | 121 | 58.7 Ų | 58.7 | 65% | 0.647 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.4 | -35.1 | 173.2 | -88.9 | -12.7 | 0 | 0 | 0 | 113 | Q314 Q315 | N311-Q314 PolarHBondContact O-N 2.93Å; N311-Q315 PolarHBondContact O-N 3.35Å |
| 312 | E | 92.8 | Very high | 85.8 | Confident | 55 Ų | 55 | 60.2 Ų | 60.2 | 26% | 0.257 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.1 | -47.2 | 176.7 | -174.5 | -178.1 | -169 | 0 | 0 | 110.2 | R281 L300 C310 Q314 Q315 I316 | R281-E312 IonicContact CZ-OE1 3.68Å; R281-E312 IonicContact CZ-OE2 2.76Å; R281-E312 IonicContact NE-OE1 3.81Å; R281-E312 PolarHBondContact NE-OE1 3.45Å; R281-E312 IonicContact NE-OE2 3.48Å; R281-E312 IonicContact NH2-OE1 2.65Å; R281-E312 PolarHBondContact NH2-OE1 3.36Å; R281-E312 IonicContact NH2-OE2 3.54Å; R281-E312 PolarHBondContact NH2-OE2 2.81Å; L300-E312 HydrophobicContact CD1-CG 4.11Å; C310-E312 VanDerWaalsContact C-N 3.3Å; C310-E312 PolarHBondContact O-N 3.43Å; E312-Q314 PolarHBondContact O-N 3.44Å; E312-Q315 PolarHBondContact O-N 3Å; E312-I316 HydrophobicContact CG-CD1 3.88Å; E312-I316 WeakPolarHBondContact O-CD1 3.47Å; E312-I316 VanDerWaalsContact O-CG1 3.26Å; E312-I316 WeakPolarHBondContact O-CG1 3.48Å; E312-I316 PolarHBondContact O-N 3.32Å |
| 313 | L | 89.1 | Confident | 85.6 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 177.8 | -163.9 | 73.3 | 0 | 0 | 0 | 112.1 | A297 L300 V301 F307 C310 I316 A317 | A297-L313 HydrophobicContact CB-CD1 3.69Å; A297-L313 WeakPolarHBondContact O-CD1 3.4Å; L300-L313 HydrophobicContact CB-CD1 3.94Å; L300-L313 HydrophobicContact CD1-CD1 4.11Å; V301-L313 HydrophobicContact CG2-CD1 4.23Å; V301-L313 HydrophobicContact CG2-CD2 3.84Å; F307-L313 HydrophobicContact CD1-CD2 3.91Å; F307-L313 HydrophobicContact CD1-CG 3.96Å; F307-L313 HydrophobicContact CD2-CD2 4.03Å; F307-L313 HydrophobicContact CE1-CB 4.45Å; F307-L313 HydrophobicContact CE1-CD2 3.94Å; F307-L313 HydrophobicContact CE1-CG 3.64Å; F307-L313 WeakPolarHBondContact CE1-O 3.47Å; F307-L313 HydrophobicContact CE2-CD2 4.06Å; F307-L313 HydrophobicContact CE2-CG 4.46Å; F307-L313 HydrophobicContact CG-CD2 3.95Å; F307-L313 HydrophobicContact CG-CG 4.49Å; F307-L313 HydrophobicContact CZ-CD2 4.03Å; F307-L313 HydrophobicContact CZ-CG 3.92Å; C310-L313 HydrophobicContact CB-CB 3.74Å; C310-L313 PolarHBondContact O-N 2.69Å; C310-L313 PolarHBondContact SG-N 3.31Å; L313-I316 PolarHBondContact O-N 3.3Å; L313-A317 PolarHBondContact O-N 3.16Å |
| 314 | Q | 87.3 | Confident | 85.2 | Confident | 86 Ų | 86 | 59 Ų | 59 | 40% | 0.402 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61 | -46.2 | 174.1 | -69.7 | 178.7 | 12.2 | 0 | 0 | 112.1 | F307 C310 N311 E312 A317 M318 | F307-Q314 HydrophobicContact CD1-CG 4.48Å; F307-Q314 WeakPolarHBondContact O-CG 3.41Å; F307-Q314 PolarHBondContact O-NE2 3.25Å; C310-Q314 WeakPolarHBondContact O-CG 3.47Å; C310-Q314 PolarHBondContact O-N 3.04Å; C310-Q314 VanDerWaalsContact O-N 3.1Å; N311-Q314 PolarHBondContact O-N 2.93Å; E312-Q314 PolarHBondContact O-N 3.44Å; Q314-A317 PolarHBondContact O-N 2.88Å; Q314-M318 WeakPolarHBondContact O-CB 3.35Å; Q314-M318 PolarHBondContact O-N 2.69Å |
| 315 | Q | 90 | Very high | 84.9 | Confident | 124 Ų | 124 | 60.1 Ų | 60.1 | 58% | 0.579 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61.7 | -44.5 | 177.1 | -83.8 | -172.8 | -25.9 | 0 | 0 | 112 | N311 E312 A317 M318 I319 | N311-Q315 PolarHBondContact O-N 3.35Å; E312-Q315 PolarHBondContact O-N 3Å; Q315-A317 PolarHBondContact O-N 3.48Å; Q315-M318 PolarHBondContact O-N 3.19Å; Q315-I319 VanDerWaalsContact O-CG1 3.31Å; Q315-I319 WeakPolarHBondContact O-CG1 3.33Å; Q315-I319 PolarHBondContact O-N 3.01Å |
| 316 | I | 90.1 | Very high | 84.7 | Confident | 4 Ų | 4 | 65.6 Ų | 65.6 | 2% | 0.021 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.1 | -49.9 | 177.7 | -65.8 | 159 | 0 | 0 | 0 | 110.2 | F284 G293 L296 A297 L300 E312 L313 M318 I319 L320 | F284-I316 HydrophobicContact CD1-CG1 4.4Å; F284-I316 HydrophobicContact CE1-CG1 3.9Å; F284-I316 HydrophobicContact CZ-CG1 4.34Å; F284-I316 HydrophobicContact CZ-CG2 4.29Å; G293-I316 WeakPolarHBondContact O-CG2 3.31Å; L296-I316 HydrophobicContact CB-CD1 4.38Å; L296-I316 HydrophobicContact CD2-CD1 3.53Å; L296-I316 HydrophobicContact CD2-CG1 4.29Å; L296-I316 HydrophobicContact CG-CD1 3.7Å; A297-I316 HydrophobicContact CB-CG2 4Å; L300-I316 HydrophobicContact CD1-CD1 3.72Å; E312-I316 HydrophobicContact CG-CD1 3.88Å; E312-I316 WeakPolarHBondContact O-CD1 3.47Å; E312-I316 VanDerWaalsContact O-CG1 3.26Å; E312-I316 WeakPolarHBondContact O-CG1 3.48Å; E312-I316 PolarHBondContact O-N 3.32Å; L313-I316 PolarHBondContact O-N 3.3Å; I316-M318 VanDerWaalsContact C-N 3.33Å; I316-M318 PolarHBondContact O-N 3.12Å; I316-I319 PolarHBondContact O-N 3.17Å; I316-L320 HydrophobicContact CG2-CD1 3.7Å; I316-L320 HydrophobicContact CG2-CG 4.18Å; I316-L320 WeakPolarHBondContact O-CB 3.33Å; I316-L320 VanDerWaalsContact O-CG 3.25Å; I316-L320 WeakPolarHBondContact O-CG 3.43Å; I316-L320 PolarHBondContact O-N 2.9Å |
| 317 | A | 85 | Confident | 84.6 | Confident | 16 Ų | 16 | 68 Ų | 68 | 13% | 0.132 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65 | -34.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | F307 L313 Q314 Q315 S321 | F307-A317 HydrophobicContact CE1-CB 3.44Å; F307-A317 VanDerWaalsContact CE1-CB 3.44Å; F307-A317 HydrophobicContact CZ-CB 3.88Å; L313-A317 PolarHBondContact O-N 3.16Å; Q314-A317 PolarHBondContact O-N 2.88Å; Q315-A317 PolarHBondContact O-N 3.48Å; A317-S321 VanDerWaalsContact O-CB 3.25Å; A317-S321 WeakPolarHBondContact O-CB 3.43Å; A317-S321 PolarHBondContact O-N 2.9Å; A317-S321 PolarHBondContact O-OG 3.37Å |
| 318 | M | 85.4 | Confident | 84.5 | Confident | 132 Ų | 132 | 67.1 Ų | 67.1 | 65% | 0.65 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -64.1 | -45.7 | 173.4 | -173.9 | -175.6 | 70.3 | 0 | 0 | 111.4 | Q314 Q315 I316 S321 G322 | Q314-M318 WeakPolarHBondContact O-CB 3.35Å; Q314-M318 PolarHBondContact O-N 2.69Å; Q315-M318 PolarHBondContact O-N 3.19Å; I316-M318 VanDerWaalsContact C-N 3.33Å; I316-M318 PolarHBondContact O-N 3.12Å; M318-S321 PolarHBondContact O-N 3.42Å; M318-G322 PolarHBondContact O-N 3.46Å |
| 319 | I | 88.3 | Confident | 84.9 | Confident | 57 Ų | 57 | 61.5 Ų | 61.5 | 29% | 0.292 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.3 | -46.7 | 177.6 | -69.1 | 165 | 0 | 0 | 0 | 110.7 | F284 P288 Q315 I316 S321 G322 L323 | F284-I319 HydrophobicContact CE1-CD1 3.97Å; F284-I319 HydrophobicContact CE2-CG2 4.45Å; F284-I319 HydrophobicContact CZ-CB 4.16Å; F284-I319 HydrophobicContact CZ-CD1 4.01Å; F284-I319 HydrophobicContact CZ-CG2 3.85Å; P288-I319 HydrophobicContact CB-CG2 4Å; Q315-I319 VanDerWaalsContact O-CG1 3.31Å; Q315-I319 WeakPolarHBondContact O-CG1 3.33Å; Q315-I319 PolarHBondContact O-N 3.01Å; I316-I319 PolarHBondContact O-N 3.17Å; I319-S321 PolarHBondContact O-N 3.15Å; I319-G322 CarbonylContact O-C 3.47Å; I319-G322 PolarHBondContact O-N 3.11Å; I319-L323 HydrophobicContact CG2-CD1 3.97Å; I319-L323 WeakPolarHBondContact O-CG 3.5Å; I319-L323 PolarHBondContact O-N 3.37Å |
| 320 | L | 84.6 | Confident | 85.2 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 177.6 | -69.7 | 172.8 | 0 | 0 | 0 | 112.1 | E290 I294 I316 G322 L323 L324 I345 | E290-L320 HydrophobicContact CB-CD2 4.44Å; E290-L320 HydrophobicContact CG-CD2 4.43Å; I294-L320 HydrophobicContact CD1-CD1 3.9Å; I316-L320 HydrophobicContact CG2-CD1 3.7Å; I316-L320 HydrophobicContact CG2-CG 4.18Å; I316-L320 WeakPolarHBondContact O-CB 3.33Å; I316-L320 VanDerWaalsContact O-CG 3.25Å; I316-L320 WeakPolarHBondContact O-CG 3.43Å; I316-L320 PolarHBondContact O-N 2.9Å; L320-G322 VanDerWaalsContact C-N 3.31Å; L320-G322 PolarHBondContact O-N 3.1Å; L320-L323 WeakPolarHBondContact O-CB 3.33Å; L320-L323 PolarHBondContact O-N 3.44Å; L320-L324 PolarHBondContact O-N 2.87Å; L320-I345 HydrophobicContact CB-CD1 3.58Å; L320-I345 HydrophobicContact CB-CG1 4.37Å; L320-I345 HydrophobicContact CD1-CD1 4.27Å; L320-I345 HydrophobicContact CD1-CG1 4.2Å |
| 321 | S | 82.2 | Confident | 85 | Confident | 63 Ų | 63 | 62.9 Ų | 62.9 | 44% | 0.441 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.9 | -36.1 | 175.1 | -58 | 0 | 0 | 0 | 0 | 111.9 | A317 M318 I319 G325 | A317-S321 VanDerWaalsContact O-CB 3.25Å; A317-S321 WeakPolarHBondContact O-CB 3.43Å; A317-S321 PolarHBondContact O-N 2.9Å; A317-S321 PolarHBondContact O-OG 3.37Å; M318-S321 PolarHBondContact O-N 3.42Å; I319-S321 PolarHBondContact O-N 3.15Å; S321-G325 PolarHBondContact O-N 3.49Å |
| 322 | G | 84.4 | Confident | 84.8 | Confident | 36 Ų | 36 | 62.6 Ų | 62.6 | 37% | 0.371 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -75.5 | -20.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | M318 I319 L320 R326 | M318-G322 PolarHBondContact O-N 3.46Å; I319-G322 CarbonylContact O-C 3.47Å; I319-G322 PolarHBondContact O-N 3.11Å; L320-G322 VanDerWaalsContact C-N 3.31Å; L320-G322 PolarHBondContact O-N 3.1Å; G322-R326 PolarHBondContact O-NE 2.97Å |
| 323 | L | 82.4 | Confident | 84.5 | Confident | 33 Ų | 33 | 60.3 Ų | 60.3 | 17% | 0.173 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -73.8 | -52.4 | 168.4 | -76.2 | 160 | 0 | 0 | 0 | 110 | E290 I319 L320 R326 | E290-L323 HydrophobicContact CG-CB 4.22Å; E290-L323 HydrophobicContact CG-CD1 4.2Å; I319-L323 HydrophobicContact CG2-CD1 3.97Å; I319-L323 WeakPolarHBondContact O-CG 3.5Å; I319-L323 PolarHBondContact O-N 3.37Å; L320-L323 WeakPolarHBondContact O-CB 3.33Å; L320-L323 PolarHBondContact O-N 3.44Å; L323-R326 VanDerWaalsContact CD2-NH2 3.32Å; L323-R326 PolarHBondContact O-N 3.4Å |
| 324 | L | 79.4 | Confident | 84.2 | Confident | 10 Ų | 10 | 66.7 Ų | 66.7 | 5% | 0.052 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 178.2 | -76.5 | 162.7 | 0 | 0 | 0 | 113.2 | L320 R326 K327 G328 D338 T341 F342 I345 | L320-L324 PolarHBondContact O-N 2.87Å; L324-R326 PolarHBondContact O-N 3.18Å; L324-R326 VanDerWaalsContact O-N 3.13Å; L324-K327 WeakPolarHBondContact O-CA 3.47Å; L324-K327 WeakPolarHBondContact O-CB 3.5Å; L324-K327 PolarHBondContact O-N 3.46Å; L324-G328 PolarHBondContact O-N 3.39Å; L324-D338 HydrophobicContact CD2-CB 4.03Å; L324-D338 VanDerWaalsContact CD2-O 3.24Å; L324-D338 WeakPolarHBondContact CD2-O 3.48Å; L324-T341 HydrophobicContact CD1-CG2 4.05Å; L324-F342 HydrophobicContact CD1-CB 3.97Å; L324-F342 HydrophobicContact CD1-CD2 4.32Å; L324-F342 HydrophobicContact CD2-CB 4.35Å; L324-I345 HydrophobicContact CD1-CD1 3.45Å; L324-I345 VanDerWaalsContact CD1-CD1 3.45Å |
| 325 | G | 77.5 | Confident | 84 | Confident | 57 Ų | 57 | 67.7 Ų | 67.7 | 59% | 0.588 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -24.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | S321 K327 | S321-G325 PolarHBondContact O-N 3.49Å; G325-K327 VanDerWaalsContact C-N 3.34Å |
| 326 | R | 81.5 | Confident | 83.8 | Confident | 194 Ų | 194 | 62.8 Ų | 62.8 | 73% | 0.732 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -20.8 | 172.6 | -78.6 | -177.6 | -77.5 | 169.9 | -6.8 | 113.7 | G322 L323 L324 | G322-R326 PolarHBondContact O-NE 2.97Å; L323-R326 VanDerWaalsContact CD2-NH2 3.32Å; L323-R326 PolarHBondContact O-N 3.4Å; L324-R326 PolarHBondContact O-N 3.18Å; L324-R326 VanDerWaalsContact O-N 3.13Å |
| 327 | K | 80.5 | Confident | 83.5 | Confident | 89 Ų | 89 | 67.5 Ų | 67.5 | 39% | 0.387 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -16.7 | 177.3 | -58.7 | -175.7 | 178.7 | 166.8 | 0 | 112.8 | E290 L324 G325 L333 D338 | E290-K327 WeakPolarHBondContact OE1-CE 3.42Å; E290-K327 IonicContact OE1-NZ 3.26Å; E290-K327 PolarHBondContact OE1-NZ 3.39Å; E290-K327 IonicContact OE2-NZ 2.91Å; E290-K327 PolarHBondContact OE2-NZ 2.85Å; L324-K327 WeakPolarHBondContact O-CA 3.47Å; L324-K327 WeakPolarHBondContact O-CB 3.5Å; L324-K327 PolarHBondContact O-N 3.46Å; G325-K327 VanDerWaalsContact C-N 3.34Å; K327-L333 HydrophobicContact CB-CD2 3.65Å; K327-D338 HydrophobicContact CD-CB 4.33Å; K327-D338 VanDerWaalsContact CD-CG 3.49Å; K327-D338 VanDerWaalsContact CD-OD2 3.23Å; K327-D338 WeakPolarHBondContact CD-OD2 3.46Å; K327-D338 IonicContact NZ-OD1 2.72Å; K327-D338 PolarHBondContact NZ-OD1 3.09Å; K327-D338 IonicContact NZ-OD2 2.99Å |
| 328 | G | 79.5 | Confident | 83.6 | Confident | 40 Ų | 40 | 67.4 Ų | 67.4 | 41% | 0.412 | 36% | 0.364 | S | S | . | . | trans | 115.4 | -161.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L324 | L324-G328 PolarHBondContact O-N 3.39Š| ||
| 329 | S | 85.7 | Confident | 83.9 | Confident | 64 Ų | 64 | 61.1 Ų | 61.1 | 45% | 0.448 | 33% | 0.333 | S | S | . | . | trans | -75.6 | 152.2 | 176.6 | 58.1 | 0 | 0 | 0 | 0 | 111.7 | F331 N332 L333 | S329-F331 VanDerWaalsContact C-N 3.26Å; S329-F331 PolarHBondContact O-N 2.96Å; S329-F331 VanDerWaalsContact O-N 3.09Å; S329-N332 WeakPolarHBondContact O-CB 3.46Å; S329-N332 PolarHBondContact O-N 3.38Å; S329-N332 PolarHBondContact OG-ND2 3.18Å; S329-L333 PolarHBondContact O-N 3.3Å | ||
| 330 | L | 86.4 | Confident | 84 | Confident | 13 Ų | 13 | 58.4 Ų | 58.4 | 7% | 0.068 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -46.6 | -43.1 | -176.8 | -179 | 63.5 | 0 | 0 | 0 | 114.5 | N332 L333 V339 F342 Q357 A358 | L330-N332 VanDerWaalsContact C-N 3.3Å; L330-N332 PolarHBondContact O-N 3.13Å; L330-L333 HydrophobicContact CD1-CD1 4.32Å; L330-L333 WeakPolarHBondContact O-CB 3.44Å; L330-L333 PolarHBondContact O-N 3.46Å; L330-V339 HydrophobicContact CD1-CG1 3.89Å; L330-F342 HydrophobicContact CD1-CB 4.42Å; L330-F342 HydrophobicContact CD1-CD1 3.73Å; L330-F342 HydrophobicContact CD1-CE1 4.09Å; L330-F342 HydrophobicContact CD1-CG 4.04Å; L330-F342 HydrophobicContact CD2-CD1 4.38Å; L330-F342 HydrophobicContact CD2-CE1 3.97Å; L330-F342 HydrophobicContact CG-CE1 4.49Å; L330-Q357 HydrophobicContact CD2-CB 3.74Å; L330-A358 HydrophobicContact CD1-CB 4.03Å; L330-A358 HydrophobicContact CD2-CB 4.23Å |
| 331 | F | 83.9 | Confident | 84.1 | Confident | 125 Ų | 125 | 58.7 Ų | 58.7 | 55% | 0.548 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -73.3 | -19.9 | -178.4 | -59.8 | -74.3 | 0 | 0 | 0 | 113.9 | S329 | S329-F331 VanDerWaalsContact C-N 3.26Å; S329-F331 PolarHBondContact O-N 2.96Å; S329-F331 VanDerWaalsContact O-N 3.09Å |
| 332 | N | 85.1 | Confident | 84.5 | Confident | 115 Ų | 115 | 58 Ų | 58 | 62% | 0.615 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -87 | -12.3 | 176.3 | -65.8 | 0.3 | 0 | 0 | 0 | 112.4 | S329 L330 L334 | S329-N332 WeakPolarHBondContact O-CB 3.46Å; S329-N332 PolarHBondContact O-N 3.38Å; S329-N332 PolarHBondContact OG-ND2 3.18Å; L330-N332 VanDerWaalsContact C-N 3.3Å; L330-N332 PolarHBondContact O-N 3.13Å; N332-L334 PolarHBondContact O-N 3.22Å |
| 333 | L | 85.6 | Confident | 84.8 | Confident | 6 Ų | 6 | 56.3 Ų | 56.3 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | trans | -68.9 | 128.1 | 175.3 | -59 | 176 | 0 | 0 | 0 | 109.6 | K327 S329 L330 D338 V339 R361 | K327-L333 HydrophobicContact CB-CD2 3.65Å; S329-L333 PolarHBondContact O-N 3.3Å; L330-L333 HydrophobicContact CD1-CD1 4.32Å; L330-L333 WeakPolarHBondContact O-CB 3.44Å; L330-L333 PolarHBondContact O-N 3.46Å; L333-D338 HydrophobicContact CB-CB 4.38Å; L333-D338 HydrophobicContact CD1-CB 3.84Å; L333-D338 HydrophobicContact CD2-CB 3.97Å; L333-D338 HydrophobicContact CG-CB 4.28Å; L333-V339 HydrophobicContact CB-CG2 3.68Å; L333-V339 HydrophobicContact CD1-CG2 4.19Å; L333-R361 PolarHBondContact O-NE 3.39Å; L333-R361 PolarHBondContact O-NH2 2.97Å | ||
| 334 | L | 84.1 | Confident | 85.1 | Confident | 134 Ų | 134 | 55.1 Ų | 55.1 | 70% | 0.702 | 29% | 0.286 | S | S | * | . | trans | -105.4 | -32.6 | 178.6 | -61.2 | 178.4 | 0 | 0 | 0 | 111.7 | N332 L365 | N332-L334 PolarHBondContact O-N 3.22Å; L334-L365 WeakPolarHBondContact O-CD2 3.4Å | ||
| 335 | D | 83.6 | Confident | 85.5 | Confident | 108 Ų | 108 | 55.6 Ų | 55.6 | 58% | 0.578 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -81 | 125.4 | 178.3 | -74.1 | -56.3 | 0 | 0 | 0 | 111.2 | W337 D338 | D335-W337 PolarHBondContact O-N 3.14Å; D335-W337 VanDerWaalsContact O-N 3.15Å; D335-D338 PolarHBondContact O-N 3.05Å; D335-D338 VanDerWaalsContact O-N 3.16Å |
| 336 | Y | 85.8 | Confident | 86 | Confident | 21 Ų | 21 | 53.2 Ų | 53.2 | 8% | 0.082 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -52.5 | -38.8 | 179.7 | 164.1 | -91 | 0 | 0 | 0 | 112.7 | D338 V339 A340 M362 P367 F371 L372 T375 | Y336-D338 VanDerWaalsContact C-N 3.28Å; Y336-D338 PolarHBondContact O-N 3.37Å; Y336-V339 PolarHBondContact O-N 3.08Å; Y336-A340 HydrophobicContact CD1-CB 4.24Å; Y336-A340 HydrophobicContact CE1-CB 3.59Å; Y336-A340 HydrophobicContact CE2-CB 4.13Å; Y336-A340 VanDerWaalsContact O-CB 3.3Å; Y336-A340 WeakPolarHBondContact O-CB 3.35Å; Y336-A340 PolarHBondContact O-N 3.24Å; Y336-M362 HydrophobicContact CD2-CG 4.28Å; Y336-M362 HydrophobicContact CE2-CB 4.29Å; Y336-M362 HydrophobicContact CE2-CE 3.82Å; Y336-M362 HydrophobicContact CE2-CG 3.97Å; Y336-P367 HydrophobicContact CD2-CB 3.33Å; Y336-P367 HydrophobicContact CD2-CG 3.64Å; Y336-P367 HydrophobicContact CE2-CB 3.65Å; Y336-P367 HydrophobicContact CE2-CG 3.67Å; Y336-P367 HydrophobicContact CG-CB 3.8Å; Y336-F371 HydrophobicContact CD1-CB 3.84Å; Y336-F371 HydrophobicContact CD1-CD1 4.32Å; Y336-F371 HydrophobicContact CD1-CG 4.23Å; Y336-F371 HydrophobicContact CE1-CB 3.58Å; Y336-F371 HydrophobicContact CE1-CG 4.39Å; Y336-L372 HydrophobicContact CE2-CD1 4.06Å; Y336-L372 WeakPolarHBondContact OH-CA 3.47Å; Y336-T375 WeakPolarHBondContact OH-CB 3.43Å; Y336-T375 PolarHBondContact OH-OG1 2.82Å |
| 337 | W | 83.8 | Confident | 86.3 | Confident | 102 Ų | 102 | 44.1 Ų | 44.1 | 39% | 0.386 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.5 | -36.5 | -176.7 | -75.8 | 128.7 | 0 | 0 | 0 | 113.2 | D335 A340 T341 W370 F371 | D335-W337 PolarHBondContact O-N 3.14Å; D335-W337 VanDerWaalsContact O-N 3.15Å; W337-A340 PolarHBondContact O-N 3.26Å; W337-T341 WeakPolarHBondContact O-CB 3.14Å; W337-T341 PolarHBondContact O-N 3.23Å; W337-T341 PolarHBondContact O-OG1 3.25Å; W337-W370 HydrophobicContact CZ2-CZ3 4.4Å; W337-F371 HydrophobicContact CD2-CD1 4.14Å; W337-F371 HydrophobicContact CD2-CE1 4.33Å; W337-F371 AromaticContact CE2-CD1 3.48Å; W337-F371 VanDerWaalsContact CE2-CD1 3.48Å; W337-F371 AromaticContact CE2-CE1 3.37Å; W337-F371 HydrophobicContact CE3-CD1 4.46Å; W337-F371 AromaticContact CH2-CD1 3.68Å; W337-F371 HydrophobicContact CH2-CD1 3.68Å; W337-F371 HydrophobicContact CH2-CE1 4.21Å; W337-F371 AromaticContact CZ2-CD1 3.27Å; W337-F371 HydrophobicContact CZ2-CD1 3.27Å; W337-F371 AromaticContact CZ2-CE1 3.33Å; W337-F371 HydrophobicContact CZ2-CE1 3.33Å; W337-F371 HydrophobicContact CZ3-CD1 4.25Å; W337-F371 AromaticContact NE1-CD1 3.93Å; W337-F371 AromaticContact NE1-CE1 3.36Å |
| 338 | D | 86.9 | Confident | 86.5 | Confident | 14 Ų | 14 | 40 Ų | 40 | 8% | 0.075 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.6 | -45 | -178.7 | -55.2 | -17.3 | 0 | 0 | 0 | 109.5 | L324 K327 L333 D335 Y336 A340 T341 F342 | L324-D338 HydrophobicContact CD2-CB 4.03Å; L324-D338 VanDerWaalsContact CD2-O 3.24Å; L324-D338 WeakPolarHBondContact CD2-O 3.48Å; K327-D338 HydrophobicContact CD-CB 4.33Å; K327-D338 VanDerWaalsContact CD-CG 3.49Å; K327-D338 VanDerWaalsContact CD-OD2 3.23Å; K327-D338 WeakPolarHBondContact CD-OD2 3.46Å; K327-D338 IonicContact NZ-OD1 2.72Å; K327-D338 PolarHBondContact NZ-OD1 3.09Å; K327-D338 IonicContact NZ-OD2 2.99Å; L333-D338 HydrophobicContact CB-CB 4.38Å; L333-D338 HydrophobicContact CD1-CB 3.84Å; L333-D338 HydrophobicContact CD2-CB 3.97Å; L333-D338 HydrophobicContact CG-CB 4.28Å; D335-D338 PolarHBondContact O-N 3.05Å; D335-D338 VanDerWaalsContact O-N 3.16Å; Y336-D338 VanDerWaalsContact C-N 3.28Å; Y336-D338 PolarHBondContact O-N 3.37Å; D338-A340 PolarHBondContact O-N 3.18Å; D338-T341 PolarHBondContact O-N 3.28Å; D338-F342 WeakPolarHBondContact O-CB 3.48Å; D338-F342 PolarHBondContact O-N 2.95Å |
| 339 | V | 91.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.7 | -41 | 177.1 | -167.7 | 0 | 0 | 0 | 0 | 111 | L330 L333 Y336 F342 F343 A358 R361 M362 L365 | L330-V339 HydrophobicContact CD1-CG1 3.89Å; L333-V339 HydrophobicContact CB-CG2 3.68Å; L333-V339 HydrophobicContact CD1-CG2 4.19Å; Y336-V339 PolarHBondContact O-N 3.08Å; V339-F342 PolarHBondContact O-N 2.87Å; V339-F343 WeakPolarHBondContact O-CB 3.34Å; V339-F343 PolarHBondContact O-N 3.42Å; V339-A358 HydrophobicContact CG1-CB 4.29Å; V339-A358 WeakPolarHBondContact CG1-O 3.21Å; V339-R361 HydrophobicContact CG1-CB 3.81Å; V339-R361 HydrophobicContact CG1-CG 3.85Å; V339-R361 HydrophobicContact CG2-CG 4.07Å; V339-M362 HydrophobicContact CB-CG 4.13Å; V339-M362 HydrophobicContact CG1-CG 3.64Å; V339-L365 HydrophobicContact CB-CD1 4.42Å; V339-L365 HydrophobicContact CG2-CD1 3.68Å |
| 340 | A | 89.9 | Confident | 86.5 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.7 | -39.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y336 W337 D338 F343 E344 T375 | Y336-A340 HydrophobicContact CD1-CB 4.24Å; Y336-A340 HydrophobicContact CE1-CB 3.59Å; Y336-A340 HydrophobicContact CE2-CB 4.13Å; Y336-A340 VanDerWaalsContact O-CB 3.3Å; Y336-A340 WeakPolarHBondContact O-CB 3.35Å; Y336-A340 PolarHBondContact O-N 3.24Å; W337-A340 PolarHBondContact O-N 3.26Å; D338-A340 PolarHBondContact O-N 3.18Å; A340-F343 WeakPolarHBondContact O-CB 3.31Å; A340-F343 PolarHBondContact O-N 3.45Å; A340-E344 WeakPolarHBondContact O-CG 3.38Å; A340-E344 PolarHBondContact O-N 3.34Å; A340-T375 HydrophobicContact CB-CG2 4.34Å |
| 341 | T | 87.8 | Confident | 86.4 | Confident | 9 Ų | 9 | 43.2 Ų | 43.2 | 6% | 0.055 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.2 | -43.8 | 174.6 | -56.1 | 0 | 0 | 0 | 0 | 110.3 | E290 I294 L324 W337 D338 F343 E344 I345 | E290-T341 HydrophobicContact CB-CG2 3.99Å; E290-T341 HydrophobicContact CG-CG2 4.19Å; I294-T341 HydrophobicContact CD1-CG2 4.01Å; L324-T341 HydrophobicContact CD1-CG2 4.05Å; W337-T341 WeakPolarHBondContact O-CB 3.14Å; W337-T341 PolarHBondContact O-N 3.23Å; W337-T341 PolarHBondContact O-OG1 3.25Å; D338-T341 PolarHBondContact O-N 3.28Å; T341-F343 VanDerWaalsContact C-N 3.34Å; T341-F343 PolarHBondContact O-N 3.45Å; T341-E344 PolarHBondContact O-N 2.79Å; T341-I345 HydrophobicContact CG2-CD1 4.21Å; T341-I345 VanDerWaalsContact O-CG1 3.28Å; T341-I345 WeakPolarHBondContact O-CG1 3.28Å; T341-I345 PolarHBondContact O-N 3.49Å |
| 342 | F | 89.6 | Confident | 86.6 | Confident | 48 Ų | 48 | 38.2 Ų | 38.2 | 21% | 0.211 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.8 | -40.3 | 174.6 | -174.4 | -80.6 | 0 | 0 | 0 | 112.2 | L324 L330 D338 V339 S346 N354 A358 | L324-F342 HydrophobicContact CD1-CB 3.97Å; L324-F342 HydrophobicContact CD1-CD2 4.32Å; L324-F342 HydrophobicContact CD2-CB 4.35Å; L330-F342 HydrophobicContact CD1-CB 4.42Å; L330-F342 HydrophobicContact CD1-CD1 3.73Å; L330-F342 HydrophobicContact CD1-CE1 4.09Å; L330-F342 HydrophobicContact CD1-CG 4.04Å; L330-F342 HydrophobicContact CD2-CD1 4.38Å; L330-F342 HydrophobicContact CD2-CE1 3.97Å; L330-F342 HydrophobicContact CG-CE1 4.49Å; D338-F342 WeakPolarHBondContact O-CB 3.48Å; D338-F342 PolarHBondContact O-N 2.95Å; V339-F342 PolarHBondContact O-N 2.87Å; F342-S346 WeakPolarHBondContact O-CB 3.48Å; F342-S346 PolarHBondContact O-N 2.92Å; F342-S346 PolarHBondContact O-OG 3.26Å; F342-N354 HydrophobicContact CE1-CB 3.94Å; F342-N354 HydrophobicContact CZ-CB 4.33Å; F342-A358 HydrophobicContact CD1-CB 3.81Å; F342-A358 HydrophobicContact CE1-CB 4.36Å |
| 343 | F | 91.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61 | -50.6 | 173.5 | 176.1 | -114.5 | 0 | 0 | 0 | 111.7 | V339 A340 T341 I345 S346 V347 A355 A358 A359 M362 T375 I379 F402 M406 | V339-F343 WeakPolarHBondContact O-CB 3.34Å; V339-F343 PolarHBondContact O-N 3.42Å; A340-F343 WeakPolarHBondContact O-CB 3.31Å; A340-F343 PolarHBondContact O-N 3.45Å; T341-F343 VanDerWaalsContact C-N 3.34Å; T341-F343 PolarHBondContact O-N 3.45Å; F343-I345 PolarHBondContact O-N 3.29Å; F343-S346 WeakPolarHBondContact O-CB 3.36Å; F343-S346 PolarHBondContact O-N 3.31Å; F343-S346 VanDerWaalsContact O-N 3.15Å; F343-V347 HydrophobicContact CD2-CG2 4.35Å; F343-V347 HydrophobicContact CE2-CG2 4.07Å; F343-V347 HydrophobicContact CZ-CG2 4.21Å; F343-V347 WeakPolarHBondContact O-CG2 3.28Å; F343-V347 PolarHBondContact O-N 3.32Å; F343-A355 HydrophobicContact CD2-CB 3.96Å; F343-A355 WeakPolarHBondContact CD2-O 3.3Å; F343-A355 HydrophobicContact CE2-CB 3.94Å; F343-A355 WeakPolarHBondContact CE2-O 3.42Å; F343-A358 HydrophobicContact CB-CB 3.81Å; F343-A358 HydrophobicContact CD2-CB 4.24Å; F343-A359 HydrophobicContact CD2-CB 4.33Å; F343-A359 HydrophobicContact CE2-CB 3.96Å; F343-M362 HydrophobicContact CB-SD 3.68Å; F343-M362 HydrophobicContact CD1-CE 4.07Å; F343-M362 HydrophobicContact CD1-SD 3.88Å; F343-M362 HydrophobicContact CD2-SD 4.39Å; F343-M362 HydrophobicContact CE1-CE 4.44Å; F343-M362 HydrophobicContact CG-SD 3.75Å; F343-T375 HydrophobicContact CD1-CG2 3.84Å; F343-T375 HydrophobicContact CE1-CG2 4.18Å; F343-I379 HydrophobicContact CD1-CD1 4.35Å; F343-I379 HydrophobicContact CD1-CG1 4.38Å; F343-I379 HydrophobicContact CE1-CD1 4.07Å; F343-I379 HydrophobicContact CE1-CG1 3.75Å; F343-I379 HydrophobicContact CZ-CG1 4.49Å; F343-F402 HydrophobicContact CE2-CD2 4.35Å; F343-F402 HydrophobicContact CE2-CE2 4.23Å; F343-F402 HydrophobicContact CZ-CD2 4.47Å; F343-F402 HydrophobicContact CZ-CE2 4Å; F343-M406 HydrophobicContact CE1-SD 4.34Å; F343-M406 HydrophobicContact CZ-SD 4.01Å |
| 344 | E | 89.5 | Confident | 86.8 | Confident | 8 Ų | 8 | 39.2 Ų | 39.2 | 4% | 0.037 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.6 | -42.5 | 179.6 | -73.2 | 179 | -141.8 | 0 | 0 | 112.1 | I294 A340 T341 S346 V347 L348 T375 N378 I379 | I294-E344 HydrophobicContact CD1-CB 3.77Å; I294-E344 HydrophobicContact CG1-CB 3.55Å; I294-E344 HydrophobicContact CG1-CG 4.36Å; I294-E344 VanDerWaalsContact CG1-OE2 3.25Å; I294-E344 WeakPolarHBondContact CG1-OE2 3.33Å; A340-E344 WeakPolarHBondContact O-CG 3.38Å; A340-E344 PolarHBondContact O-N 3.34Å; T341-E344 PolarHBondContact O-N 2.79Å; E344-S346 PolarHBondContact O-N 3.21Å; E344-V347 PolarHBondContact O-N 3.08Å; E344-L348 WeakPolarHBondContact O-CB 2.98Å; E344-L348 VanDerWaalsContact O-CG 3.28Å; E344-L348 WeakPolarHBondContact O-CG 3.37Å; E344-L348 PolarHBondContact O-N 3.29Å; E344-T375 HydrophobicContact CG-CG2 4.01Å; E344-T375 VanDerWaalsContact OE1-CA 3.26Å; E344-T375 WeakPolarHBondContact OE1-CA 3.47Å; E344-T375 VanDerWaalsContact OE1-CB 3.31Å; E344-T375 WeakPolarHBondContact OE1-CB 3.39Å; E344-T375 VanDerWaalsContact OE1-CG2 3.31Å; E344-T375 WeakPolarHBondContact OE1-CG2 3.41Å; E344-T375 PolarHBondContact OE1-OG1 3.34Å; E344-N378 PolarHBondContact OE2-ND2 3.46Å; E344-I379 HydrophobicContact CB-CD1 4.47Å; E344-I379 HydrophobicContact CG-CD1 3.92Å |
| 345 | I | 86.6 | Confident | 87.2 | Confident | 21 Ų | 21 | 32.9 Ų | 32.9 | 11% | 0.108 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.5 | -44.5 | 172.9 | -63.6 | 165.7 | 0 | 0 | 0 | 111 | I294 L320 L324 T341 F343 V347 L348 A349 | I294-I345 HydrophobicContact CD1-CD1 4.4Å; I294-I345 HydrophobicContact CD1-CG1 3.52Å; L320-I345 HydrophobicContact CB-CD1 3.58Å; L320-I345 HydrophobicContact CB-CG1 4.37Å; L320-I345 HydrophobicContact CD1-CD1 4.27Å; L320-I345 HydrophobicContact CD1-CG1 4.2Å; L324-I345 HydrophobicContact CD1-CD1 3.45Å; L324-I345 VanDerWaalsContact CD1-CD1 3.45Å; T341-I345 HydrophobicContact CG2-CD1 4.21Å; T341-I345 VanDerWaalsContact O-CG1 3.28Å; T341-I345 WeakPolarHBondContact O-CG1 3.28Å; T341-I345 PolarHBondContact O-N 3.49Å; F343-I345 PolarHBondContact O-N 3.29Å; I345-V347 VanDerWaalsContact C-N 3.3Å; I345-V347 PolarHBondContact O-N 2.99Å; I345-L348 PolarHBondContact O-N 3.31Å; I345-A349 WeakPolarHBondContact O-CB 3.24Å; I345-A349 PolarHBondContact O-N 2.61Å |
| 346 | S | 88 | Confident | 87.5 | Confident | 7 Ų | 7 | 28.7 Ų | 28.7 | 5% | 0.049 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.9 | -39.4 | -179.1 | -61.2 | 0 | 0 | 0 | 0 | 111.5 | F342 F343 E344 E350 N351 N354 | F342-S346 WeakPolarHBondContact O-CB 3.48Å; F342-S346 PolarHBondContact O-N 2.92Å; F342-S346 PolarHBondContact O-OG 3.26Å; F343-S346 WeakPolarHBondContact O-CB 3.36Å; F343-S346 PolarHBondContact O-N 3.31Å; F343-S346 VanDerWaalsContact O-N 3.15Å; E344-S346 PolarHBondContact O-N 3.21Å; S346-E350 PolarHBondContact O-N 2.82Å; S346-N351 PolarHBondContact O-N 3.19Å; S346-N354 WeakPolarHBondContact OG-CB 3.46Å |
| 347 | V | 87.8 | Confident | 87.8 | Confident | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.018 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -72.1 | -41.5 | 175.2 | 178.8 | 0 | 0 | 0 | 0 | 111.7 | F343 E344 I345 A349 E350 A355 I379 R386 F402 | F343-V347 HydrophobicContact CD2-CG2 4.35Å; F343-V347 HydrophobicContact CE2-CG2 4.07Å; F343-V347 HydrophobicContact CZ-CG2 4.21Å; F343-V347 WeakPolarHBondContact O-CG2 3.28Å; F343-V347 PolarHBondContact O-N 3.32Å; E344-V347 PolarHBondContact O-N 3.08Å; I345-V347 VanDerWaalsContact C-N 3.3Å; I345-V347 PolarHBondContact O-N 2.99Å; V347-A349 VanDerWaalsContact C-N 3.27Å; V347-A349 PolarHBondContact O-N 3.45Å; V347-E350 PolarHBondContact O-N 3.19Å; V347-E350 VanDerWaalsContact O-N 3.09Å; V347-A355 HydrophobicContact CG2-CB 3.74Å; V347-I379 HydrophobicContact CB-CD1 3.81Å; V347-I379 HydrophobicContact CG1-CD1 3.94Å; V347-I379 HydrophobicContact CG1-CG2 4.17Å; V347-I379 HydrophobicContact CG2-CD1 3.95Å; V347-R386 PolarHBondContact O-NH1 3.36Å; V347-F402 HydrophobicContact CB-CE2 4.46Å; V347-F402 HydrophobicContact CG1-CE2 4.15Å; V347-F402 HydrophobicContact CG1-CZ 3.82Å; V347-F402 HydrophobicContact CG2-CD2 4.12Å; V347-F402 HydrophobicContact CG2-CE2 3.4Å; V347-F402 HydrophobicContact CG2-CZ 3.97Å |
| 348 | L | 85.1 | Confident | 88.2 | Confident | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.016 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.5 | -42.5 | 173 | -77.4 | 165.7 | 0 | 0 | 0 | 111 | I294 A297 V301 F307 E344 I345 E350 I382 R386 | I294-L348 HydrophobicContact CD1-CD1 4.3Å; A297-L348 HydrophobicContact CB-CD1 3.96Å; V301-L348 HydrophobicContact CB-CD2 4.31Å; V301-L348 HydrophobicContact CG2-CD2 3.89Å; F307-L348 HydrophobicContact CE2-CB 4.03Å; F307-L348 WeakPolarHBondContact CE2-O 3.28Å; F307-L348 HydrophobicContact CZ-CB 4.38Å; E344-L348 WeakPolarHBondContact O-CB 2.98Å; E344-L348 VanDerWaalsContact O-CG 3.28Å; E344-L348 WeakPolarHBondContact O-CG 3.37Å; E344-L348 PolarHBondContact O-N 3.29Å; I345-L348 PolarHBondContact O-N 3.31Å; L348-E350 VanDerWaalsContact C-N 3.28Å; L348-E350 PolarHBondContact O-N 2.71Å; L348-I382 HydrophobicContact CD2-CD1 3.51Å; L348-I382 HydrophobicContact CD2-CG1 4.03Å; L348-I382 HydrophobicContact CG-CD1 3.8Å; L348-R386 PolarHBondContact O-NH2 3.32Å |
| 349 | A | 82 | Confident | 88.4 | Confident | 55 Ų | 55 | 26.1 Ų | 26.1 | 46% | 0.455 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 2.4 | 178 | 0 | 0 | 0 | 0 | 0 | 115 | I345 V347 N351 | I345-A349 WeakPolarHBondContact O-CB 3.24Å; I345-A349 PolarHBondContact O-N 2.61Å; V347-A349 VanDerWaalsContact C-N 3.27Å; V347-A349 PolarHBondContact O-N 3.45Å; A349-N351 PolarHBondContact O-N 2.94Å |
| 350 | E | 82.1 | Confident | 88.4 | Confident | 67 Ų | 67 | 27.7 Ų | 27.7 | 31% | 0.313 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 21.5 | -175.5 | -57 | -177.3 | 179.8 | 0 | 0 | 114.4 | S346 V347 L348 Y352 R386 R390 | S346-E350 PolarHBondContact O-N 2.82Å; V347-E350 PolarHBondContact O-N 3.19Å; V347-E350 VanDerWaalsContact O-N 3.09Å; L348-E350 VanDerWaalsContact C-N 3.28Å; L348-E350 PolarHBondContact O-N 2.71Å; E350-Y352 HydrophobicContact CB-CE2 4.06Å; E350-Y352 VanDerWaalsContact O-CD2 3.27Å; E350-Y352 WeakPolarHBondContact O-CD2 3.33Å; E350-Y352 WeakPolarHBondContact O-CE2 3.3Å; E350-Y352 PolarHBondContact O-N 2.7Å; E350-R386 IonicContact OE1-CZ 3.77Å; E350-R386 IonicContact OE1-NE 2.71Å; E350-R386 PolarHBondContact OE1-NE 3.22Å; E350-R386 IonicContact OE1-NH2 2.82Å; E350-R386 PolarHBondContact OE1-NH2 2.81Å; E350-R390 IonicContact OE1-NH1 3.31Å; E350-R390 IonicContact OE2-CZ 3.58Å; E350-R390 IonicContact OE2-NH1 2.73Å; E350-R390 PolarHBondContact OE2-NH1 3Å; E350-R390 IonicContact OE2-NH2 3.57Å |
| 351 | N | 85.7 | Confident | 88.5 | Confident | 61 Ų | 61 | 29.5 Ų | 29.5 | 33% | 0.326 | 16% | 0.158 | S | C | . | . | trans | -88.6 | 81.6 | 174 | -173.3 | -17.8 | 0 | 0 | 0 | 110.6 | S346 A349 I353 N354 A355 | S346-N351 PolarHBondContact O-N 3.19Å; A349-N351 PolarHBondContact O-N 2.94Å; N351-I353 VanDerWaalsContact C-N 3.28Å; N351-I353 PolarHBondContact O-N 2.96Å; N351-I353 PolarHBondContact OD1-N 2.86Å; N351-N354 PolarHBondContact ND2-ND2 3.19Å; N351-N354 PolarHBondContact O-N 3.13Å; N351-N354 PolarHBondContact OD1-N 2.82Å; N351-A355 PolarHBondContact O-N 2.73Å; N351-A355 VanDerWaalsContact O-N 3.09Å | ||
| 352 | Y | 87.2 | Confident | 88.7 | Confident | 21 Ų | 21 | 29.1 Ų | 29.1 | 8% | 0.082 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.8 | -22.6 | -176.6 | -57.4 | -67.5 | 0 | 0 | 0 | 114.3 | E350 A355 C356 L393 Y399 F402 | E350-Y352 HydrophobicContact CB-CE2 4.06Å; E350-Y352 VanDerWaalsContact O-CD2 3.27Å; E350-Y352 WeakPolarHBondContact O-CD2 3.33Å; E350-Y352 WeakPolarHBondContact O-CE2 3.3Å; E350-Y352 PolarHBondContact O-N 2.7Å; Y352-A355 PolarHBondContact O-N 3.45Å; Y352-C356 WeakPolarHBondContact O-CB 3.47Å; Y352-C356 PolarHBondContact O-N 3.03Å; Y352-C356 PolarHBondContact O-SG 2.7Å; Y352-L393 HydrophobicContact CE2-CD2 3.69Å; Y352-Y399 AromaticContact CD1-CD2 3.88Å; Y352-Y399 HydrophobicContact CD1-CD2 3.88Å; Y352-Y399 HydrophobicContact CD1-CE2 4.36Å; Y352-Y399 AromaticContact CD2-CD2 3.97Å; Y352-Y399 HydrophobicContact CD2-CD2 3.97Å; Y352-Y399 AromaticContact CE1-CD2 3.6Å; Y352-Y399 HydrophobicContact CE1-CD2 3.6Å; Y352-Y399 AromaticContact CE1-CE2 3.68Å; Y352-Y399 HydrophobicContact CE1-CE2 3.68Å; Y352-Y399 AromaticContact CE2-CD2 3.7Å; Y352-Y399 HydrophobicContact CE2-CD2 3.7Å; Y352-Y399 HydrophobicContact CE2-CE2 4.23Å; Y352-Y399 HydrophobicContact CG-CD2 4.06Å; Y352-Y399 AromaticContact CZ-CD2 3.5Å; Y352-Y399 VanDerWaalsContact CZ-CD2 3.5Å; Y352-Y399 AromaticContact CZ-CE2 3.61Å; Y352-F402 HydrophobicContact CD1-CB 3.89Å; Y352-F402 AromaticContact CD1-CD1 3.68Å; Y352-F402 HydrophobicContact CD1-CD1 3.68Å; Y352-F402 HydrophobicContact CD1-CD2 4.19Å; Y352-F402 HydrophobicContact CD1-CE1 4.27Å; Y352-F402 AromaticContact CD1-CG 3.62Å; Y352-F402 HydrophobicContact CD1-CG 3.62Å; Y352-F402 AromaticContact CE1-CD1 3.74Å; Y352-F402 HydrophobicContact CE1-CD1 3.74Å; Y352-F402 AromaticContact CE1-CE1 3.94Å; Y352-F402 HydrophobicContact CE1-CE1 3.94Å; Y352-F402 HydrophobicContact CE1-CG 4.14Å; Y352-F402 HydrophobicContact CG-CB 4.44Å |
| 353 | I | 86.8 | Confident | 88.6 | Confident | 91 Ų | 91 | 27.2 Ų | 27.2 | 47% | 0.467 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -63.8 | -54.1 | 174.6 | -62.9 | 170.5 | 0 | 0 | 0 | 109.6 | N351 A355 C356 Q357 Q398 | N351-I353 VanDerWaalsContact C-N 3.28Å; N351-I353 PolarHBondContact O-N 2.96Å; N351-I353 PolarHBondContact OD1-N 2.86Å; I353-A355 VanDerWaalsContact C-N 3.28Å; I353-A355 PolarHBondContact O-N 3.04Å; I353-C356 PolarHBondContact O-N 2.72Å; I353-Q357 WeakPolarHBondContact O-CG 3.36Å; I353-Q357 PolarHBondContact O-N 3.01Å; I353-Q357 VanDerWaalsContact O-N 3.09Å; I353-Q398 HydrophobicContact CD1-CG 4.36Å; I353-Q398 HydrophobicContact CG1-CB 4.32Å; I353-Q398 HydrophobicContact CG1-CG 3.69Å |
| 354 | N | 89.1 | Confident | 88.4 | Confident | 51 Ų | 51 | 31.5 Ų | 31.5 | 27% | 0.273 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -63.2 | -36.6 | 177.7 | -74.2 | 16.2 | 0 | 0 | 0 | 111.3 | F342 S346 N351 Q357 A358 | F342-N354 HydrophobicContact CE1-CB 3.94Å; F342-N354 HydrophobicContact CZ-CB 4.33Å; S346-N354 WeakPolarHBondContact OG-CB 3.46Å; N351-N354 PolarHBondContact ND2-ND2 3.19Å; N351-N354 PolarHBondContact O-N 3.13Å; N351-N354 PolarHBondContact OD1-N 2.82Å; N354-Q357 PolarHBondContact O-N 3.11Å; N354-A358 WeakPolarHBondContact O-CB 3.45Å; N354-A358 PolarHBondContact O-N 2.96Å |
| 355 | A | 91 | Very high | 88.2 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.8 | -44.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F343 V347 N351 Y352 I353 A358 A359 F402 | F343-A355 HydrophobicContact CD2-CB 3.96Å; F343-A355 WeakPolarHBondContact CD2-O 3.3Å; F343-A355 HydrophobicContact CE2-CB 3.94Å; F343-A355 WeakPolarHBondContact CE2-O 3.42Å; V347-A355 HydrophobicContact CG2-CB 3.74Å; N351-A355 PolarHBondContact O-N 2.73Å; N351-A355 VanDerWaalsContact O-N 3.09Å; Y352-A355 PolarHBondContact O-N 3.45Å; I353-A355 VanDerWaalsContact C-N 3.28Å; I353-A355 PolarHBondContact O-N 3.04Å; A355-A358 PolarHBondContact O-N 3.22Å; A355-A359 WeakPolarHBondContact O-CB 3.46Å; A355-A359 PolarHBondContact O-N 3.2Å; A355-F402 HydrophobicContact CB-CD2 4.27Å |
| 356 | C | 90.7 | Very high | 87.9 | Confident | 20 Ų | 20 | 37.2 Ų | 37.2 | 14% | 0.135 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.4 | -38.4 | 177.9 | -67.8 | 0 | 0 | 0 | 0 | 112.6 | Y352 I353 A359 S360 F402 | Y352-C356 WeakPolarHBondContact O-CB 3.47Å; Y352-C356 PolarHBondContact O-N 3.03Å; Y352-C356 PolarHBondContact O-SG 2.7Å; I353-C356 PolarHBondContact O-N 2.72Å; C356-A359 PolarHBondContact O-N 2.91Å; C356-S360 PolarHBondContact O-N 2.86Å; C356-F402 PolarHBondContact SG-N 3.49Å; C356-F402 VanDerWaalsContact SG-N 3.37Å |
| 357 | Q | 91.4 | Very high | 87.4 | Confident | 83 Ų | 83 | 37 Ų | 37 | 39% | 0.388 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.1 | -44.1 | 173.7 | -69.5 | 177.6 | -6.6 | 0 | 0 | 111.5 | L330 I353 N354 S360 R361 | L330-Q357 HydrophobicContact CD2-CB 3.74Å; I353-Q357 WeakPolarHBondContact O-CG 3.36Å; I353-Q357 PolarHBondContact O-N 3.01Å; I353-Q357 VanDerWaalsContact O-N 3.09Å; N354-Q357 PolarHBondContact O-N 3.11Å; Q357-S360 PolarHBondContact O-N 3.34Å; Q357-R361 PolarHBondContact O-N 3.35Å |
| 358 | A | 92.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.7 | -37.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L330 V339 F342 F343 N354 A355 R361 M362 | L330-A358 HydrophobicContact CD1-CB 4.03Å; L330-A358 HydrophobicContact CD2-CB 4.23Å; V339-A358 HydrophobicContact CG1-CB 4.29Å; V339-A358 WeakPolarHBondContact CG1-O 3.21Å; F342-A358 HydrophobicContact CD1-CB 3.81Å; F342-A358 HydrophobicContact CE1-CB 4.36Å; F343-A358 HydrophobicContact CB-CB 3.81Å; F343-A358 HydrophobicContact CD2-CB 4.24Å; N354-A358 WeakPolarHBondContact O-CB 3.45Å; N354-A358 PolarHBondContact O-N 2.96Å; A355-A358 PolarHBondContact O-N 3.22Å; A358-R361 PolarHBondContact O-N 2.9Å; A358-M362 WeakPolarHBondContact O-CB 3.47Å; A358-M362 VanDerWaalsContact O-CG 3.27Å; A358-M362 WeakPolarHBondContact O-CG 3.36Å; A358-M362 PolarHBondContact O-N 3.47Å |
| 359 | A | 92.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.6 | -44.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | F343 A355 C356 R361 M362 F363 W405 F409 | F343-A359 HydrophobicContact CD2-CB 4.33Å; F343-A359 HydrophobicContact CE2-CB 3.96Å; A355-A359 WeakPolarHBondContact O-CB 3.46Å; A355-A359 PolarHBondContact O-N 3.2Å; C356-A359 PolarHBondContact O-N 2.91Å; A359-R361 VanDerWaalsContact C-N 3.3Å; A359-R361 PolarHBondContact O-N 3.19Å; A359-M362 WeakPolarHBondContact O-CB 3.28Å; A359-M362 PolarHBondContact O-N 3.44Å; A359-F363 PolarHBondContact O-N 3.01Å; A359-W405 HydrophobicContact CB-CB 3.78Å; A359-W405 HydrophobicContact CB-CD2 3.52Å; A359-W405 HydrophobicContact CB-CE3 3.97Å; A359-W405 HydrophobicContact CB-CG 3.43Å; A359-W405 VanDerWaalsContact CB-CG 3.43Å; A359-F409 HydrophobicContact CB-CE2 3.74Å; A359-F409 HydrophobicContact CB-CZ 4.32Å; A359-F409 WeakPolarHBondContact O-CZ 3.49Å |
| 360 | S | 90.7 | Very high | 85.2 | Confident | 34 Ų | 34 | 41.2 Ų | 41.2 | 24% | 0.238 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.6 | -43.6 | 173.5 | -168 | 0 | 0 | 0 | 0 | 111.7 | C356 Q357 F363 E364 | C356-S360 PolarHBondContact O-N 2.86Å; Q357-S360 PolarHBondContact O-N 3.34Å; S360-F363 WeakPolarHBondContact O-CB 3.4Å; S360-F363 PolarHBondContact O-N 3.04Å; S360-E364 PolarHBondContact O-N 3.35Å |
| 361 | R | 91.3 | Very high | 84.9 | Confident | 38 Ų | 38 | 39.9 Ų | 39.9 | 14% | 0.143 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68 | -37.9 | 177.1 | -173.3 | 59.6 | -179.6 | 159.1 | 3.3 | 112.8 | L333 V339 Q357 A358 A359 F363 E364 L365 | L333-R361 PolarHBondContact O-NE 3.39Å; L333-R361 PolarHBondContact O-NH2 2.97Å; V339-R361 HydrophobicContact CG1-CB 3.81Å; V339-R361 HydrophobicContact CG1-CG 3.85Å; V339-R361 HydrophobicContact CG2-CG 4.07Å; Q357-R361 PolarHBondContact O-N 3.35Å; A358-R361 PolarHBondContact O-N 2.9Å; A359-R361 VanDerWaalsContact C-N 3.3Å; A359-R361 PolarHBondContact O-N 3.19Å; R361-F363 VanDerWaalsContact C-N 3.29Å; R361-F363 PolarHBondContact O-N 3.07Å; R361-E364 WeakPolarHBondContact CD-OE2 3.26Å; R361-E364 IonicContact CZ-OE2 3.1Å; R361-E364 IonicContact NE-OE2 3.7Å; R361-E364 IonicContact NH1-OE2 3.22Å; R361-E364 PolarHBondContact NH1-OE2 3.09Å; R361-E364 PolarHBondContact O-N 3.27Å; R361-L365 WeakPolarHBondContact O-CG 3.39Å; R361-L365 PolarHBondContact O-N 3.17Å; R361-L365 VanDerWaalsContact O-N 3.17Å |
| 362 | M | 91.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.6 | -38 | 172.4 | -74.4 | 161.3 | 63.7 | 0 | 0 | 111.5 | Y336 V339 F343 A358 A359 P367 L372 T375 F409 | Y336-M362 HydrophobicContact CD2-CG 4.28Å; Y336-M362 HydrophobicContact CE2-CB 4.29Å; Y336-M362 HydrophobicContact CE2-CE 3.82Å; Y336-M362 HydrophobicContact CE2-CG 3.97Å; V339-M362 HydrophobicContact CB-CG 4.13Å; V339-M362 HydrophobicContact CG1-CG 3.64Å; F343-M362 HydrophobicContact CB-SD 3.68Å; F343-M362 HydrophobicContact CD1-CE 4.07Å; F343-M362 HydrophobicContact CD1-SD 3.88Å; F343-M362 HydrophobicContact CD2-SD 4.39Å; F343-M362 HydrophobicContact CE1-CE 4.44Å; F343-M362 HydrophobicContact CG-SD 3.75Å; A358-M362 WeakPolarHBondContact O-CB 3.47Å; A358-M362 VanDerWaalsContact O-CG 3.27Å; A358-M362 WeakPolarHBondContact O-CG 3.36Å; A358-M362 PolarHBondContact O-N 3.47Å; A359-M362 WeakPolarHBondContact O-CB 3.28Å; A359-M362 PolarHBondContact O-N 3.44Å; M362-P367 WeakPolarHBondContact O-CD 3.49Å; M362-L372 HydrophobicContact CE-CD1 3.52Å; M362-T375 HydrophobicContact CE-CG2 3.96Å; M362-F409 HydrophobicContact CB-CE2 4.35Å; M362-F409 HydrophobicContact CB-CZ 3.84Å; M362-F409 HydrophobicContact CE-CD2 4.48Å; M362-F409 HydrophobicContact CE-CE2 3.96Å; M362-F409 HydrophobicContact CE-CZ 4.39Å |
| 363 | F | 88.7 | Confident | 84.5 | Confident | 9 Ų | 9 | 39.3 Ų | 39.3 | 4% | 0.039 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.5 | -41.3 | 175.6 | 159.6 | -94.5 | 0 | 0 | 0 | 112.7 | A359 S360 R361 L365 K366 W405 F408 F409 L427 H435 I500 | A359-F363 PolarHBondContact O-N 3.01Å; S360-F363 WeakPolarHBondContact O-CB 3.4Å; S360-F363 PolarHBondContact O-N 3.04Å; R361-F363 VanDerWaalsContact C-N 3.29Å; R361-F363 PolarHBondContact O-N 3.07Å; F363-L365 VanDerWaalsContact C-N 3.33Å; F363-L365 PolarHBondContact O-N 3.32Å; F363-K366 PolarHBondContact O-N 2.7Å; F363-W405 HydrophobicContact CB-CH2 3.91Å; F363-W405 HydrophobicContact CB-CZ3 3.73Å; F363-W405 HydrophobicContact CG-CH2 4.24Å; F363-W405 HydrophobicContact CG-CZ3 4.27Å; F363-F408 AromaticContact CD2-CE1 3.87Å; F363-F408 HydrophobicContact CD2-CE1 3.87Å; F363-F408 AromaticContact CD2-CZ 4Å; F363-F408 HydrophobicContact CD2-CZ 4Å; F363-F408 HydrophobicContact CE2-CE1 4.39Å; F363-F408 HydrophobicContact CE2-CZ 4.05Å; F363-F409 HydrophobicContact CB-CE1 4.3Å; F363-F409 HydrophobicContact CB-CZ 4.39Å; F363-L427 HydrophobicContact CD1-CD1 3.83Å; F363-L427 HydrophobicContact CD2-CD1 3.83Å; F363-L427 HydrophobicContact CE1-CD1 3.67Å; F363-L427 HydrophobicContact CE2-CD1 3.65Å; F363-L427 HydrophobicContact CG-CD1 3.91Å; F363-L427 HydrophobicContact CZ-CD1 3.58Å; F363-H435 AromaticContact CE1-CE1 3.97Å; F363-I500 HydrophobicContact CE2-CG2 4.01Å; F363-I500 HydrophobicContact CZ-CB 4.44Å; F363-I500 HydrophobicContact CZ-CD1 3.93Å; F363-I500 HydrophobicContact CZ-CG2 3.93Å |
| 364 | E | 86.5 | Confident | 84.2 | Confident | 90 Ų | 90 | 35.6 Ų | 35.6 | 42% | 0.421 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.1 | -37.1 | 177.1 | -70.8 | 175.9 | 176.4 | 0 | 0 | 112.8 | S360 R361 K366 | S360-E364 PolarHBondContact O-N 3.35Å; R361-E364 WeakPolarHBondContact CD-OE2 3.26Å; R361-E364 IonicContact CZ-OE2 3.1Å; R361-E364 IonicContact NE-OE2 3.7Å; R361-E364 IonicContact NH1-OE2 3.22Å; R361-E364 PolarHBondContact NH1-OE2 3.09Å; R361-E364 PolarHBondContact O-N 3.27Å; E364-K366 PolarHBondContact O-N 2.88Å |
| 365 | L | 85.7 | Confident | 84.1 | Confident | 45 Ų | 45 | 33.1 Ų | 33.1 | 24% | 0.236 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -1.3 | -179.9 | -67.5 | 178.8 | 0 | 0 | 0 | 114.4 | L334 V339 R361 F363 | L334-L365 WeakPolarHBondContact O-CD2 3.4Å; V339-L365 HydrophobicContact CB-CD1 4.42Å; V339-L365 HydrophobicContact CG2-CD1 3.68Å; R361-L365 WeakPolarHBondContact O-CG 3.39Å; R361-L365 PolarHBondContact O-N 3.17Å; R361-L365 VanDerWaalsContact O-N 3.17Å; F363-L365 VanDerWaalsContact C-N 3.33Å; F363-L365 PolarHBondContact O-N 3.32Å |
| 366 | K | 80.6 | Confident | 83.8 | Confident | 103 Ų | 103 | 33.3 Ų | 33.3 | 45% | 0.448 | 17% | 0.169 | S | C | . | . | trans | 42.9 | 53.9 | 178.4 | -61.6 | -172 | 177.6 | -164.5 | 0 | 114.3 | F363 E364 D482 | F363-K366 PolarHBondContact O-N 2.7Å; E364-K366 PolarHBondContact O-N 2.88Å; K366-D482 VanDerWaalsContact CE-OD2 3.24Å; K366-D482 WeakPolarHBondContact CE-OD2 3.28Å; K366-D482 IonicContact NZ-OD2 3.33Å; K366-D482 PolarHBondContact NZ-OD2 3.27Å | ||
| 367 | P | 77 | Confident | 83.4 | Confident | 4 Ų | 4 | 33.1 Ų | 33.1 | 3% | 0.026 | 17% | 0.171 | C | C | . | . | trans | -65 | 143.2 | -171.6 | 26.2 | -36.1 | 0 | 0 | 0 | 112.6 | Y336 M362 A369 L372 Y412 | Y336-P367 HydrophobicContact CD2-CB 3.33Å; Y336-P367 HydrophobicContact CD2-CG 3.64Å; Y336-P367 HydrophobicContact CE2-CB 3.65Å; Y336-P367 HydrophobicContact CE2-CG 3.67Å; Y336-P367 HydrophobicContact CG-CB 3.8Å; M362-P367 WeakPolarHBondContact O-CD 3.49Å; P367-A369 PolarHBondContact O-N 3.46Å; P367-L372 HydrophobicContact CG-CD1 4.43Å; P367-Y412 WeakPolarHBondContact O-CE1 3.49Å; P367-Y412 PolarHBondContact O-OH 2.94Å | ||
| 368 | P | 70.6 | Confident | 83.1 | Confident | 69 Ų | 69 | 29.3 Ų | 29.3 | 45% | 0.448 | 15% | 0.153 | S | C | . | . | trans | -58.2 | 137.5 | 170.6 | -22.9 | 31.3 | 0 | 0 | 0 | 111.3 | W370 F371 | P368-W370 PolarHBondContact O-N 3.3Å; P368-F371 HydrophobicContact CB-CD2 3.79Å; P368-F371 HydrophobicContact CB-CE2 4.18Å; P368-F371 HydrophobicContact CG-CD2 3.79Å; P368-F371 HydrophobicContact CG-CE2 3.83Å; P368-F371 WeakPolarHBondContact O-CB 3.48Å; P368-F371 PolarHBondContact O-N 3.01Å | ||
| 369 | A | 70.4 | Confident | 82.8 | Confident | 33 Ų | 33 | 29.4 Ų | 29.4 | 27% | 0.273 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -54.3 | -29.1 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | P367 K373 Y412 | P367-A369 PolarHBondContact O-N 3.46Å; A369-K373 VanDerWaalsContact O-CB 3.3Å; A369-K373 WeakPolarHBondContact O-CB 3.4Å; A369-K373 PolarHBondContact O-N 2.88Å; A369-Y412 HydrophobicContact CB-CE1 4.33Å |
| 370 | W | 68.2 | Low | 82.2 | Confident | 47 Ų | 47 | 33 Ų | 33 | 18% | 0.178 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.3 | -35.5 | 179.3 | 66.8 | -96.2 | 0 | 0 | 0 | 114.3 | Q186 W337 P368 K373 S374 | Q186-W370 HydrophobicContact CG-CB 4.03Å; Q186-W370 HydrophobicContact CG-CG 4.39Å; W337-W370 HydrophobicContact CZ2-CZ3 4.4Å; P368-W370 PolarHBondContact O-N 3.3Å; W370-K373 PolarHBondContact O-N 3.36Å; W370-S374 PolarHBondContact O-N 3.25Å |
| 371 | F | 76 | Confident | 81.6 | Confident | 38 Ų | 38 | 31.6 Ų | 31.6 | 17% | 0.167 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62 | -51.7 | 174.9 | -73.6 | -75.6 | 0 | 0 | 0 | 109.6 | Y336 W337 P368 K373 S374 T375 | Y336-F371 HydrophobicContact CD1-CB 3.84Å; Y336-F371 HydrophobicContact CD1-CD1 4.32Å; Y336-F371 HydrophobicContact CD1-CG 4.23Å; Y336-F371 HydrophobicContact CE1-CB 3.58Å; Y336-F371 HydrophobicContact CE1-CG 4.39Å; W337-F371 HydrophobicContact CD2-CD1 4.14Å; W337-F371 HydrophobicContact CD2-CE1 4.33Å; W337-F371 AromaticContact CE2-CD1 3.48Å; W337-F371 VanDerWaalsContact CE2-CD1 3.48Å; W337-F371 AromaticContact CE2-CE1 3.37Å; W337-F371 HydrophobicContact CE3-CD1 4.46Å; W337-F371 AromaticContact CH2-CD1 3.68Å; W337-F371 HydrophobicContact CH2-CD1 3.68Å; W337-F371 HydrophobicContact CH2-CE1 4.21Å; W337-F371 AromaticContact CZ2-CD1 3.27Å; W337-F371 HydrophobicContact CZ2-CD1 3.27Å; W337-F371 AromaticContact CZ2-CE1 3.33Å; W337-F371 HydrophobicContact CZ2-CE1 3.33Å; W337-F371 HydrophobicContact CZ3-CD1 4.25Å; W337-F371 AromaticContact NE1-CD1 3.93Å; W337-F371 AromaticContact NE1-CE1 3.36Å; P368-F371 HydrophobicContact CB-CD2 3.79Å; P368-F371 HydrophobicContact CB-CE2 4.18Å; P368-F371 HydrophobicContact CG-CD2 3.79Å; P368-F371 HydrophobicContact CG-CE2 3.83Å; P368-F371 WeakPolarHBondContact O-CB 3.48Å; P368-F371 PolarHBondContact O-N 3.01Å; F371-K373 VanDerWaalsContact C-N 3.31Å; F371-K373 PolarHBondContact O-N 2.88Å; F371-S374 WeakPolarHBondContact O-CB 3.4Å; F371-S374 PolarHBondContact O-N 3.3Å; F371-S374 VanDerWaalsContact O-N 3.08Å; F371-T375 PolarHBondContact O-N 2.99Å |
| 372 | L | 82.7 | Confident | 81 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.2 | -38.5 | 179.2 | -163.4 | 72.2 | 0 | 0 | 0 | 112 | Y336 M362 P367 S374 T375 I376 F409 Y412 T413 | Y336-L372 HydrophobicContact CE2-CD1 4.06Å; Y336-L372 WeakPolarHBondContact OH-CA 3.47Å; M362-L372 HydrophobicContact CE-CD1 3.52Å; P367-L372 HydrophobicContact CG-CD1 4.43Å; L372-S374 PolarHBondContact O-N 3.33Å; L372-T375 PolarHBondContact O-N 3.14Å; L372-I376 HydrophobicContact CG-CG1 4.15Å; L372-I376 WeakPolarHBondContact O-CB 3.27Å; L372-I376 VanDerWaalsContact O-CG1 3.28Å; L372-I376 WeakPolarHBondContact O-CG1 3.01Å; L372-I376 PolarHBondContact O-N 2.62Å; L372-F409 HydrophobicContact CD1-CB 4.47Å; L372-F409 HydrophobicContact CD1-CD1 4.07Å; L372-F409 HydrophobicContact CD1-CD2 4.27Å; L372-F409 HydrophobicContact CD1-CE1 4.28Å; L372-F409 HydrophobicContact CD1-CE2 4.47Å; L372-F409 HydrophobicContact CD1-CG 4.05Å; L372-F409 HydrophobicContact CD1-CZ 4.47Å; L372-F409 HydrophobicContact CD2-CB 3.93Å; L372-F409 HydrophobicContact CD2-CD1 3.58Å; L372-F409 HydrophobicContact CD2-CE1 4.28Å; L372-F409 HydrophobicContact CD2-CG 3.94Å; L372-F409 HydrophobicContact CG-CB 4.32Å; L372-F409 HydrophobicContact CG-CD1 4.37Å; L372-F409 HydrophobicContact CG-CG 4.37Å; L372-Y412 HydrophobicContact CD2-CD1 3.28Å; L372-Y412 HydrophobicContact CD2-CE1 3.92Å; L372-Y412 HydrophobicContact CD2-CG 3.65Å; L372-T413 HydrophobicContact CB-CG2 3.89Å; L372-T413 HydrophobicContact CD2-CG2 3.87Å; L372-T413 HydrophobicContact CG-CG2 3.94Å |
| 373 | K | 81.2 | Confident | 80.2 | Confident | 70 Ų | 70 | 32.9 Ų | 32.9 | 30% | 0.304 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62.3 | -28.1 | 176.7 | -153.9 | 161 | -170.4 | 158.4 | 0 | 112.8 | A369 W370 F371 G377 T413 | A369-K373 VanDerWaalsContact O-CB 3.3Å; A369-K373 WeakPolarHBondContact O-CB 3.4Å; A369-K373 PolarHBondContact O-N 2.88Å; W370-K373 PolarHBondContact O-N 3.36Å; F371-K373 VanDerWaalsContact C-N 3.31Å; F371-K373 PolarHBondContact O-N 2.88Å; K373-G377 PolarHBondContact O-N 2.86Å; K373-T413 HydrophobicContact CB-CG2 3.95Å; K373-T413 HydrophobicContact CG-CG2 4.38Å; K373-T413 PolarHBondContact NZ-O 2.97Å |
| 374 | S | 80.7 | Confident | 79.3 | Confident | 13 Ų | 13 | 38.1 Ų | 38.1 | 9% | 0.091 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -72.4 | -49 | 173.3 | -164.4 | 0 | 0 | 0 | 0 | 111.6 | R256 W370 F371 L372 G377 N378 | R256-S374 PolarHBondContact NH2-OG 2.91Å; W370-S374 PolarHBondContact O-N 3.25Å; F371-S374 WeakPolarHBondContact O-CB 3.4Å; F371-S374 PolarHBondContact O-N 3.3Å; F371-S374 VanDerWaalsContact O-N 3.08Å; L372-S374 PolarHBondContact O-N 3.33Å; S374-G377 PolarHBondContact O-N 3.11Å; S374-N378 PolarHBondContact O-N 3.07Å |
| 375 | T | 86.3 | Confident | 78.4 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.4 | -47.5 | 179.3 | -68.4 | 0 | 0 | 0 | 0 | 112 | Y336 A340 F343 E344 M362 F371 L372 G377 N378 I379 | Y336-T375 WeakPolarHBondContact OH-CB 3.43Å; Y336-T375 PolarHBondContact OH-OG1 2.82Å; A340-T375 HydrophobicContact CB-CG2 4.34Å; F343-T375 HydrophobicContact CD1-CG2 3.84Å; F343-T375 HydrophobicContact CE1-CG2 4.18Å; E344-T375 HydrophobicContact CG-CG2 4.01Å; E344-T375 VanDerWaalsContact OE1-CA 3.26Å; E344-T375 WeakPolarHBondContact OE1-CA 3.47Å; E344-T375 VanDerWaalsContact OE1-CB 3.31Å; E344-T375 WeakPolarHBondContact OE1-CB 3.39Å; E344-T375 VanDerWaalsContact OE1-CG2 3.31Å; E344-T375 WeakPolarHBondContact OE1-CG2 3.41Å; E344-T375 PolarHBondContact OE1-OG1 3.34Å; M362-T375 HydrophobicContact CE-CG2 3.96Å; F371-T375 PolarHBondContact O-N 2.99Å; L372-T375 PolarHBondContact O-N 3.14Å; T375-G377 PolarHBondContact O-N 3.13Å; T375-N378 PolarHBondContact O-N 3.44Å; T375-N378 VanDerWaalsContact O-N 3.08Å; T375-I379 PolarHBondContact O-N 3.06Å; T375-I379 VanDerWaalsContact O-N 3.09Å |
| 376 | I | 85.9 | Confident | 77.9 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.015 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.6 | -29.5 | 175.9 | -64.5 | -63.6 | 0 | 0 | 0 | 111.9 | L372 K380 M406 F409 V410 | L372-I376 HydrophobicContact CG-CG1 4.15Å; L372-I376 WeakPolarHBondContact O-CB 3.27Å; L372-I376 VanDerWaalsContact O-CG1 3.28Å; L372-I376 WeakPolarHBondContact O-CG1 3.01Å; L372-I376 PolarHBondContact O-N 2.62Å; I376-K380 HydrophobicContact CG2-CD 4.29Å; I376-K380 HydrophobicContact CG2-CG 4.46Å; I376-K380 WeakPolarHBondContact O-CB 3.44Å; I376-K380 VanDerWaalsContact O-CG 3.3Å; I376-K380 WeakPolarHBondContact O-CG 3.44Å; I376-K380 PolarHBondContact O-N 3Å; I376-M406 HydrophobicContact CD1-CE 3.55Å; I376-M406 HydrophobicContact CD1-SD 3.73Å; I376-M406 HydrophobicContact CG2-CE 4.08Å; I376-F409 HydrophobicContact CD1-CB 3.42Å; I376-F409 VanDerWaalsContact CD1-CB 3.42Å; I376-F409 HydrophobicContact CD1-CD2 4.1Å; I376-F409 HydrophobicContact CD1-CG 4.23Å; I376-F409 HydrophobicContact CG1-CB 3.87Å; I376-V410 HydrophobicContact CG2-CG2 3.63Å |
| 377 | G | 82.3 | Confident | 76.9 | Confident | 17 Ų | 17 | 38 Ų | 38 | 18% | 0.175 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.5 | -47.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | K373 S374 T375 K380 L381 | K373-G377 PolarHBondContact O-N 2.86Å; S374-G377 PolarHBondContact O-N 3.11Å; T375-G377 PolarHBondContact O-N 3.13Å; G377-K380 PolarHBondContact O-N 3.44Å; G377-L381 WeakPolarHBondContact O-CG 3.44Å; G377-L381 PolarHBondContact O-N 3.2Å |
| 378 | N | 84.2 | Confident | 75.7 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.5 | -47.8 | 176.3 | -76 | -0.4 | 0 | 0 | 0 | 111.5 | K259 N295 T298 E344 S374 T375 K380 L381 I382 | K259-N378 PolarHBondContact NZ-OD1 3.17Å; N295-N378 PolarHBondContact OD1-ND2 3.23Å; N295-N378 PolarHBondContact OD1-OD1 2.94Å; T298-N378 HydrophobicContact CG2-CB 4.27Å; E344-N378 PolarHBondContact OE2-ND2 3.46Å; S374-N378 PolarHBondContact O-N 3.07Å; T375-N378 PolarHBondContact O-N 3.44Å; T375-N378 VanDerWaalsContact O-N 3.08Å; N378-K380 VanDerWaalsContact C-N 3.33Å; N378-K380 PolarHBondContact O-N 2.94Å; N378-L381 PolarHBondContact O-N 3.05Å; N378-I382 WeakPolarHBondContact O-CG1 3.42Å; N378-I382 PolarHBondContact O-N 3.47Å; N378-I382 VanDerWaalsContact O-N 3.13Å |
| 379 | I | 85.5 | Confident | 74.8 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.5 | -38.1 | 179.1 | -53.4 | -57.4 | 0 | 0 | 0 | 112.2 | F343 E344 V347 T375 L381 I382 K383 F402 M406 | F343-I379 HydrophobicContact CD1-CD1 4.35Å; F343-I379 HydrophobicContact CD1-CG1 4.38Å; F343-I379 HydrophobicContact CE1-CD1 4.07Å; F343-I379 HydrophobicContact CE1-CG1 3.75Å; F343-I379 HydrophobicContact CZ-CG1 4.49Å; E344-I379 HydrophobicContact CB-CD1 4.47Å; E344-I379 HydrophobicContact CG-CD1 3.92Å; V347-I379 HydrophobicContact CB-CD1 3.81Å; V347-I379 HydrophobicContact CG1-CD1 3.94Å; V347-I379 HydrophobicContact CG1-CG2 4.17Å; V347-I379 HydrophobicContact CG2-CD1 3.95Å; T375-I379 PolarHBondContact O-N 3.06Å; T375-I379 VanDerWaalsContact O-N 3.09Å; I379-L381 VanDerWaalsContact C-N 3.34Å; I379-L381 PolarHBondContact O-N 3.25Å; I379-I382 HydrophobicContact CD1-CD1 4.34Å; I379-I382 PolarHBondContact O-N 2.92Å; I379-K383 WeakPolarHBondContact O-CB 3.42Å; I379-K383 PolarHBondContact O-N 2.81Å; I379-F402 HydrophobicContact CG2-CE2 4.3Å; I379-F402 HydrophobicContact CG2-CZ 3.8Å; I379-M406 HydrophobicContact CB-CE 3.73Å; I379-M406 HydrophobicContact CB-SD 3.93Å; I379-M406 HydrophobicContact CG1-SD 4.22Å; I379-M406 HydrophobicContact CG2-CE 3.56Å; I379-M406 HydrophobicContact CG2-CG 4.3Å; I379-M406 HydrophobicContact CG2-SD 3.47Å; I379-M406 WeakPolarHBondContact CG2-SD 3.48Å |
| 380 | K | 80.3 | Confident | 74 | Confident | 75 Ų | 75 | 49.2 Ų | 49.2 | 33% | 0.326 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.2 | -42.7 | 175.4 | -82.5 | -179.9 | 177.7 | -178.8 | 0 | 112.2 | Y263 I376 G377 N378 K383 W384 | Y263-K380 HydrophobicContact CE2-CB 4.17Å; I376-K380 HydrophobicContact CG2-CD 4.29Å; I376-K380 HydrophobicContact CG2-CG 4.46Å; I376-K380 WeakPolarHBondContact O-CB 3.44Å; I376-K380 VanDerWaalsContact O-CG 3.3Å; I376-K380 WeakPolarHBondContact O-CG 3.44Å; I376-K380 PolarHBondContact O-N 3Å; G377-K380 PolarHBondContact O-N 3.44Å; N378-K380 VanDerWaalsContact C-N 3.33Å; N378-K380 PolarHBondContact O-N 2.94Å; K380-K383 PolarHBondContact O-N 2.91Å; K380-W384 WeakPolarHBondContact O-CB 3.23Å; K380-W384 PolarHBondContact O-N 2.84Å |
| 381 | L | 78.3 | Confident | 73.2 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 175.6 | -68.1 | 164.8 | 0 | 0 | 0 | 111.7 | K259 Y263 C267 I302 G377 N378 I379 K383 W384 Y385 | K259-L381 HydrophobicContact CD-CD1 4.21Å; K259-L381 HydrophobicContact CG-CD1 4.09Å; Y263-L381 HydrophobicContact CD2-CD1 4.44Å; Y263-L381 HydrophobicContact CD2-CD2 3.77Å; Y263-L381 HydrophobicContact CD2-CG 3.9Å; Y263-L381 HydrophobicContact CG-CD2 4.46Å; C267-L381 WeakPolarHBondContact SG-CD2 3.5Å; I302-L381 HydrophobicContact CD1-CB 3.55Å; I302-L381 HydrophobicContact CD1-CD1 4.14Å; I302-L381 HydrophobicContact CD1-CD2 4.39Å; I302-L381 HydrophobicContact CD1-CG 4.24Å; I302-L381 HydrophobicContact CG1-CB 4.28Å; G377-L381 WeakPolarHBondContact O-CG 3.44Å; G377-L381 PolarHBondContact O-N 3.2Å; N378-L381 PolarHBondContact O-N 3.05Å; I379-L381 VanDerWaalsContact C-N 3.34Å; I379-L381 PolarHBondContact O-N 3.25Å; L381-K383 VanDerWaalsContact C-N 3.35Å; L381-K383 PolarHBondContact O-N 3.3Å; L381-W384 PolarHBondContact O-N 3.47Å; L381-Y385 PolarHBondContact O-N 3.17Å |
| 382 | I | 78.2 | Confident | 71.9 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 176.9 | -62.3 | 162.7 | 0 | 0 | 0 | 110.9 | T298 L348 N378 I379 Y385 R386 | T298-I382 HydrophobicContact CG2-CD1 4.27Å; T298-I382 HydrophobicContact CG2-CG1 3.98Å; L348-I382 HydrophobicContact CD2-CD1 3.51Å; L348-I382 HydrophobicContact CD2-CG1 4.03Å; L348-I382 HydrophobicContact CG-CD1 3.8Å; N378-I382 WeakPolarHBondContact O-CG1 3.42Å; N378-I382 PolarHBondContact O-N 3.47Å; N378-I382 VanDerWaalsContact O-N 3.13Å; I379-I382 HydrophobicContact CD1-CD1 4.34Å; I379-I382 PolarHBondContact O-N 2.92Å; I382-Y385 PolarHBondContact O-N 2.97Å; I382-R386 WeakPolarHBondContact O-CG 3.44Å; I382-R386 PolarHBondContact O-N 2.77Å; I382-R386 VanDerWaalsContact O-N 3.11Å |
| 383 | K | 74.8 | Confident | 70.7 | Confident | 63 Ų | 63 | 57.5 Ų | 57.5 | 27% | 0.274 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.3 | -43.7 | -179.8 | -158.7 | -171.5 | -170 | -125.6 | 0 | 111.2 | I379 K380 L381 Y385 R386 E387 L403 | I379-K383 WeakPolarHBondContact O-CB 3.42Å; I379-K383 PolarHBondContact O-N 2.81Å; K380-K383 PolarHBondContact O-N 2.91Å; L381-K383 VanDerWaalsContact C-N 3.35Å; L381-K383 PolarHBondContact O-N 3.3Å; K383-Y385 VanDerWaalsContact C-N 3.33Å; K383-Y385 PolarHBondContact O-N 2.95Å; K383-R386 CarbonylContact O-C 3.52Å; K383-R386 PolarHBondContact O-N 2.99Å; K383-R386 VanDerWaalsContact O-N 3.1Å; K383-E387 WeakPolarHBondContact CD-OE1 3.33Å; K383-E387 WeakPolarHBondContact CE-OE1 3.41Å; K383-E387 HydrophobicContact CG-CG 4.18Å; K383-E387 IonicContact NZ-OE1 2.65Å; K383-E387 PolarHBondContact NZ-OE1 3.27Å; K383-E387 WeakPolarHBondContact O-CB 3.47Å; K383-E387 WeakPolarHBondContact O-CG 2.89Å; K383-E387 PolarHBondContact O-N 3.3Å; K383-L403 VanDerWaalsContact CE-CD2 3.45Å |
| 384 | W | 69.6 | Low | 69.5 | Low | 119 Ų | 119 | 58 Ų | 58 | 45% | 0.451 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.9 | -38.3 | -179 | -153.3 | 69.8 | 0 | 0 | 0 | 112.6 | K266 C267 K380 L381 | K266-W384 HydrophobicContact CB-CH2 3.92Å; K266-W384 HydrophobicContact CB-CZ2 3.97Å; K266-W384 WeakPolarHBondContact O-CH2 3.45Å; K266-W384 WeakPolarHBondContact O-CZ3 3.35Å; C267-W384 HydrophobicContact CB-CE3 3.95Å; C267-W384 HydrophobicContact CB-CZ3 3.84Å; K380-W384 WeakPolarHBondContact O-CB 3.23Å; K380-W384 PolarHBondContact O-N 2.84Å; L381-W384 PolarHBondContact O-N 3.47Å |
| 385 | Y | 69 | Low | 68.3 | Low | 83 Ų | 83 | 65 Ų | 65 | 33% | 0.325 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.4 | -46.6 | 170.8 | 179.3 | -92.7 | 0 | 0 | 0 | 111.9 | V301 I302 G304 L381 I382 K383 S388 | V301-Y385 HydrophobicContact CG1-CD1 4.33Å; V301-Y385 WeakPolarHBondContact O-CE1 3.21Å; I302-Y385 WeakPolarHBondContact O-CD2 3.39Å; I302-Y385 WeakPolarHBondContact O-CE2 3.37Å; G304-Y385 VanDerWaalsContact CA-OH 3.27Å; G304-Y385 WeakPolarHBondContact CA-OH 3.44Å; L381-Y385 PolarHBondContact O-N 3.17Å; I382-Y385 PolarHBondContact O-N 2.97Å; K383-Y385 VanDerWaalsContact C-N 3.33Å; K383-Y385 PolarHBondContact O-N 2.95Å; Y385-S388 WeakPolarHBondContact O-CB 3.36Å; Y385-S388 PolarHBondContact O-N 3.37Å |
| 386 | R | 73.6 | Confident | 67.6 | Low | 45 Ų | 45 | 67 Ų | 67 | 17% | 0.17 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -75 | -27.9 | -176 | -73.2 | -179.7 | 170.2 | 159.8 | -3.6 | 115.4 | V347 L348 E350 I382 K383 S388 T389 R390 | V347-R386 PolarHBondContact O-NH1 3.36Å; L348-R386 PolarHBondContact O-NH2 3.32Å; E350-R386 IonicContact OE1-CZ 3.77Å; E350-R386 IonicContact OE1-NE 2.71Å; E350-R386 PolarHBondContact OE1-NE 3.22Å; E350-R386 IonicContact OE1-NH2 2.82Å; E350-R386 PolarHBondContact OE1-NH2 2.81Å; I382-R386 WeakPolarHBondContact O-CG 3.44Å; I382-R386 PolarHBondContact O-N 2.77Å; I382-R386 VanDerWaalsContact O-N 3.11Å; K383-R386 CarbonylContact O-C 3.52Å; K383-R386 PolarHBondContact O-N 2.99Å; K383-R386 VanDerWaalsContact O-N 3.1Å; R386-S388 PolarHBondContact O-N 3.05Å; R386-T389 PolarHBondContact O-N 3.49Å; R386-T389 PolarHBondContact O-OG1 2.9Å; R386-T389 VanDerWaalsContact O-OG1 3.12Å; R386-R390 PolarHBondContact O-N 3.48Å |
| 387 | E | 60.9 | Low | 67 | Low | 107 Ų | 107 | 67.5 Ų | 67.5 | 50% | 0.5 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.9 | -21.6 | 174.5 | -80.5 | 171.1 | 166.6 | 0 | 0 | 111.9 | K383 T389 | K383-E387 WeakPolarHBondContact CD-OE1 3.33Å; K383-E387 WeakPolarHBondContact CE-OE1 3.41Å; K383-E387 HydrophobicContact CG-CG 4.18Å; K383-E387 IonicContact NZ-OE1 2.65Å; K383-E387 PolarHBondContact NZ-OE1 3.27Å; K383-E387 WeakPolarHBondContact O-CB 3.47Å; K383-E387 WeakPolarHBondContact O-CG 2.89Å; K383-E387 PolarHBondContact O-N 3.3Å; E387-T389 VanDerWaalsContact C-N 3.27Å; E387-T389 PolarHBondContact O-N 3.41Å |
| 388 | S | 51.5 | Low | 66.9 | Low | 106 Ų | 106 | 70.3 Ų | 70.3 | 74% | 0.741 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -7.1 | 172.4 | -57.7 | 0 | 0 | 0 | 0 | 114 | Y385 R386 | Y385-S388 WeakPolarHBondContact O-CB 3.36Å; Y385-S388 PolarHBondContact O-N 3.37Å; R386-S388 PolarHBondContact O-N 3.05Å |
| 389 | T | 50.2 | Low | 66.8 | Low | 94 Ų | 94 | 71.4 Ų | 71.4 | 58% | 0.577 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.9 | -10.6 | -167 | 19.3 | 0 | 0 | 0 | 0 | 117.1 | R386 E387 | R386-T389 PolarHBondContact O-N 3.49Å; R386-T389 PolarHBondContact O-OG1 2.9Å; R386-T389 VanDerWaalsContact O-OG1 3.12Å; E387-T389 VanDerWaalsContact C-N 3.27Å; E387-T389 PolarHBondContact O-N 3.41Å |
| 390 | R | 54.6 | Low | 66.7 | Low | 143 Ų | 143 | 75 Ų | 75 | 54% | 0.54 | 39% | 0.392 | S | S | . | . | trans | -146.2 | 133.1 | 179 | -72.3 | -172.5 | 178.5 | 158.9 | 3.6 | 114.7 | E350 R386 | E350-R390 IonicContact OE1-NH1 3.31Å; E350-R390 IonicContact OE2-CZ 3.58Å; E350-R390 IonicContact OE2-NH1 2.73Å; E350-R390 PolarHBondContact OE2-NH1 3Å; E350-R390 IonicContact OE2-NH2 3.57Å; R386-R390 PolarHBondContact O-N 3.48Å | ||
| 391 | S | 50.4 | Low | 67 | Low | 115 Ų | 115 | 73.4 Ų | 73.4 | 80% | 0.804 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -110.9 | 5.8 | 167.6 | 62.3 | 0 | 0 | 0 | 0 | 114 | ||
| 392 | A | 50.3 | Low | 67.5 | Low | 88 Ų | 88 | 73.4 Ų | 73.4 | 73% | 0.727 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -107.2 | -4.4 | -165.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 393 | L | 57.5 | Low | 67.9 | Low | 55 Ų | 55 | 75 Ų | 75 | 29% | 0.288 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -100.6 | -12.9 | -173.4 | -134.2 | 81.9 | 0 | 0 | 0 | 114.7 | Y352 N395 C396 Y399 | Y352-L393 HydrophobicContact CE2-CD2 3.69Å; L393-N395 PolarHBondContact O-N 3.24Å; L393-N395 VanDerWaalsContact O-N 3.11Å; L393-C396 VanDerWaalsContact O-CB 3.23Å; L393-C396 WeakPolarHBondContact O-CB 3.31Å; L393-C396 PolarHBondContact O-N 3.32Å; L393-Y399 HydrophobicContact CD2-CD2 4.26Å; L393-Y399 HydrophobicContact CD2-CG 4.43Å |
| 394 | D | 55.4 | Low | 68.6 | Low | 80 Ų | 80 | 72 Ų | 72 | 43% | 0.428 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -22.7 | -170.7 | -69.9 | -33.5 | 0 | 0 | 0 | 114.2 | C396 Y399 Q400 | D394-C396 VanDerWaalsContact C-N 3.29Å; D394-C396 PolarHBondContact O-N 3.34Å; D394-Y399 WeakPolarHBondContact OD1-CE1 3.38Å; D394-Q400 PolarHBondContact O-NE2 2.91Å |
| 395 | N | 55.1 | Low | 69.7 | Low | 160 Ų | 160 | 66.8 Ų | 66.8 | 86% | 0.856 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | 2.2 | 178.1 | -67.5 | -10.2 | 0 | 0 | 0 | 113.9 | L393 | L393-N395 PolarHBondContact O-N 3.24Å; L393-N395 VanDerWaalsContact O-N 3.11Å |
| 396 | C | 71.1 | Confident | 70.6 | Confident | 44 Ų | 44 | 63.6 Ų | 63.6 | 30% | 0.297 | 35% | 0.349 | S | S | . | . | trans | -81.9 | 117.5 | 176.6 | -178.2 | 0 | 0 | 0 | 0 | 110.4 | L393 D394 Q398 Y399 Q400 | L393-C396 VanDerWaalsContact O-CB 3.23Å; L393-C396 WeakPolarHBondContact O-CB 3.31Å; L393-C396 PolarHBondContact O-N 3.32Å; D394-C396 VanDerWaalsContact C-N 3.29Å; D394-C396 PolarHBondContact O-N 3.34Å; C396-Q398 VanDerWaalsContact C-N 3.27Å; C396-Q398 PolarHBondContact O-N 3.25Å; C396-Q398 PolarHBondContact SG-OE1 3.14Å; C396-Y399 WeakPolarHBondContact O-CA 3.38Å; C396-Y399 WeakPolarHBondContact O-CB 2.96Å; C396-Y399 PolarHBondContact O-N 3.08Å; C396-Q400 PolarHBondContact O-N 2.85Å | ||
| 397 | T | 75.1 | Confident | 71.2 | Confident | 12 Ų | 12 | 64.4 Ų | 64.4 | 7% | 0.074 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -50.6 | -45.5 | 178.9 | -70.3 | 0 | 0 | 0 | 0 | 112.8 | Y399 Q400 H401 E455 D456 A457 | T397-Y399 PolarHBondContact O-N 3.03Å; T397-Q400 WeakPolarHBondContact O-CB 3.43Å; T397-Q400 PolarHBondContact O-N 3.05Å; T397-H401 PolarHBondContact O-N 2.97Å; T397-E455 PolarHBondContact OG1-O 3.4Å; T397-D456 HydrophobicContact CG2-CB 3.91Å; T397-A457 PolarHBondContact OG1-N 2.92Å; T397-A457 VanDerWaalsContact OG1-N 3.17Å |
| 398 | Q | 80.2 | Confident | 72.6 | Confident | 76 Ų | 76 | 59.3 Ų | 59.3 | 36% | 0.355 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64 | -30 | -179 | -61.9 | 77.7 | 9 | 0 | 0 | 111.4 | I353 C396 F402 | I353-Q398 HydrophobicContact CD1-CG 4.36Å; I353-Q398 HydrophobicContact CG1-CB 4.32Å; I353-Q398 HydrophobicContact CG1-CG 3.69Å; C396-Q398 VanDerWaalsContact C-N 3.27Å; C396-Q398 PolarHBondContact O-N 3.25Å; C396-Q398 PolarHBondContact SG-OE1 3.14Å; Q398-F402 PolarHBondContact O-N 3.18Å; Q398-F402 VanDerWaalsContact O-N 3.17Å |
| 399 | Y | 81.9 | Confident | 74.4 | Confident | 26 Ų | 26 | 54.3 Ų | 54.3 | 10% | 0.102 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -74.3 | -39 | 173 | -166.8 | -112.9 | 0 | 0 | 0 | 111.7 | Y352 L393 D394 C396 T397 F402 L403 | Y352-Y399 AromaticContact CD1-CD2 3.88Å; Y352-Y399 HydrophobicContact CD1-CD2 3.88Å; Y352-Y399 HydrophobicContact CD1-CE2 4.36Å; Y352-Y399 AromaticContact CD2-CD2 3.97Å; Y352-Y399 HydrophobicContact CD2-CD2 3.97Å; Y352-Y399 AromaticContact CE1-CD2 3.6Å; Y352-Y399 HydrophobicContact CE1-CD2 3.6Å; Y352-Y399 AromaticContact CE1-CE2 3.68Å; Y352-Y399 HydrophobicContact CE1-CE2 3.68Å; Y352-Y399 AromaticContact CE2-CD2 3.7Å; Y352-Y399 HydrophobicContact CE2-CD2 3.7Å; Y352-Y399 HydrophobicContact CE2-CE2 4.23Å; Y352-Y399 HydrophobicContact CG-CD2 4.06Å; Y352-Y399 AromaticContact CZ-CD2 3.5Å; Y352-Y399 VanDerWaalsContact CZ-CD2 3.5Å; Y352-Y399 AromaticContact CZ-CE2 3.61Å; L393-Y399 HydrophobicContact CD2-CD2 4.26Å; L393-Y399 HydrophobicContact CD2-CG 4.43Å; D394-Y399 WeakPolarHBondContact OD1-CE1 3.38Å; C396-Y399 WeakPolarHBondContact O-CA 3.38Å; C396-Y399 WeakPolarHBondContact O-CB 2.96Å; C396-Y399 PolarHBondContact O-N 3.08Å; T397-Y399 PolarHBondContact O-N 3.03Å; Y399-F402 AromaticContact CD2-CD1 3.89Å; Y399-F402 HydrophobicContact CD2-CD1 3.89Å; Y399-F402 AromaticContact CE2-CD1 3.72Å; Y399-F402 HydrophobicContact CE2-CD1 3.72Å; Y399-F402 HydrophobicContact CE2-CE1 4.01Å; Y399-F402 WeakPolarHBondContact O-CB 3.46Å; Y399-F402 PolarHBondContact O-N 3.25Å; Y399-F402 VanDerWaalsContact O-N 3.17Å; Y399-L403 HydrophobicContact CD1-CD1 3.88Å; Y399-L403 HydrophobicContact CD1-CG 4.14Å; Y399-L403 HydrophobicContact CE1-CD1 3.73Å; Y399-L403 HydrophobicContact CE1-CD2 4.04Å; Y399-L403 HydrophobicContact CE1-CG 3.94Å; Y399-L403 WeakPolarHBondContact O-CG 3.38Å; Y399-L403 PolarHBondContact O-N 3.4Å |
| 400 | Q | 82.6 | Confident | 76.1 | Confident | 77 Ų | 77 | 51.3 Ų | 51.3 | 36% | 0.36 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.4 | -43.6 | 173 | -71.1 | -70 | -25.6 | 0 | 0 | 112.4 | D394 C396 T397 F402 L403 F404 V454 | D394-Q400 PolarHBondContact O-NE2 2.91Å; C396-Q400 PolarHBondContact O-N 2.85Å; T397-Q400 WeakPolarHBondContact O-CB 3.43Å; T397-Q400 PolarHBondContact O-N 3.05Å; Q400-F402 VanDerWaalsContact C-N 3.33Å; Q400-F402 PolarHBondContact O-N 3.12Å; Q400-L403 PolarHBondContact O-N 2.9Å; Q400-F404 PolarHBondContact O-N 3.35Å; Q400-V454 HydrophobicContact CB-CG1 3.94Å |
| 401 | H | 87.7 | Confident | 77.4 | Confident | 42 Ų | 42 | 45.5 Ų | 45.5 | 19% | 0.194 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.8 | -37 | 172.6 | -69.4 | 148.4 | 0 | 0 | 0 | 112.7 | T397 F404 W405 V454 | T397-H401 PolarHBondContact O-N 2.97Å; H401-F404 PolarHBondContact O-N 2.69Å; H401-W405 PolarHBondContact O-N 2.69Å; H401-V454 PolarHBondContact NE2-O 3.15Å |
| 402 | F | 88.2 | Confident | 79.1 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.1 | -42.4 | 173.8 | 165.5 | -105.4 | 0 | 0 | 0 | 112.1 | F343 V347 Y352 A355 C356 I379 Q398 Y399 Q400 F404 W405 M406 | F343-F402 HydrophobicContact CE2-CD2 4.35Å; F343-F402 HydrophobicContact CE2-CE2 4.23Å; F343-F402 HydrophobicContact CZ-CD2 4.47Å; F343-F402 HydrophobicContact CZ-CE2 4Å; V347-F402 HydrophobicContact CB-CE2 4.46Å; V347-F402 HydrophobicContact CG1-CE2 4.15Å; V347-F402 HydrophobicContact CG1-CZ 3.82Å; V347-F402 HydrophobicContact CG2-CD2 4.12Å; V347-F402 HydrophobicContact CG2-CE2 3.4Å; V347-F402 HydrophobicContact CG2-CZ 3.97Å; Y352-F402 HydrophobicContact CD1-CB 3.89Å; Y352-F402 AromaticContact CD1-CD1 3.68Å; Y352-F402 HydrophobicContact CD1-CD1 3.68Å; Y352-F402 HydrophobicContact CD1-CD2 4.19Å; Y352-F402 HydrophobicContact CD1-CE1 4.27Å; Y352-F402 AromaticContact CD1-CG 3.62Å; Y352-F402 HydrophobicContact CD1-CG 3.62Å; Y352-F402 AromaticContact CE1-CD1 3.74Å; Y352-F402 HydrophobicContact CE1-CD1 3.74Å; Y352-F402 AromaticContact CE1-CE1 3.94Å; Y352-F402 HydrophobicContact CE1-CE1 3.94Å; Y352-F402 HydrophobicContact CE1-CG 4.14Å; Y352-F402 HydrophobicContact CG-CB 4.44Å; A355-F402 HydrophobicContact CB-CD2 4.27Å; C356-F402 PolarHBondContact SG-N 3.49Å; C356-F402 VanDerWaalsContact SG-N 3.37Å; I379-F402 HydrophobicContact CG2-CE2 4.3Å; I379-F402 HydrophobicContact CG2-CZ 3.8Å; Q398-F402 PolarHBondContact O-N 3.18Å; Q398-F402 VanDerWaalsContact O-N 3.17Å; Y399-F402 AromaticContact CD2-CD1 3.89Å; Y399-F402 HydrophobicContact CD2-CD1 3.89Å; Y399-F402 AromaticContact CE2-CD1 3.72Å; Y399-F402 HydrophobicContact CE2-CD1 3.72Å; Y399-F402 HydrophobicContact CE2-CE1 4.01Å; Y399-F402 WeakPolarHBondContact O-CB 3.46Å; Y399-F402 PolarHBondContact O-N 3.25Å; Y399-F402 VanDerWaalsContact O-N 3.17Å; Q400-F402 VanDerWaalsContact C-N 3.33Å; Q400-F402 PolarHBondContact O-N 3.12Å; F402-F404 VanDerWaalsContact C-N 3.34Å; F402-F404 PolarHBondContact O-N 2.7Å; F402-W405 PolarHBondContact O-N 2.77Å; F402-M406 HydrophobicContact CD2-CG 4.23Å; F402-M406 HydrophobicContact CE1-CG 4.19Å; F402-M406 HydrophobicContact CE2-CG 3.64Å; F402-M406 HydrophobicContact CE2-SD 4.07Å; F402-M406 HydrophobicContact CZ-CG 3.63Å; F402-M406 HydrophobicContact CZ-SD 4.25Å; F402-M406 WeakPolarHBondContact O-CG 3.39Å; F402-M406 PolarHBondContact O-N 2.9Å |
| 403 | L | 85.7 | Confident | 80.6 | Confident | 35 Ų | 35 | 38 Ų | 38 | 18% | 0.183 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.2 | -42 | 174.8 | -70.4 | 176.7 | 0 | 0 | 0 | 111.6 | K383 Y399 Q400 M406 E407 | K383-L403 VanDerWaalsContact CE-CD2 3.45Å; Y399-L403 HydrophobicContact CD1-CD1 3.88Å; Y399-L403 HydrophobicContact CD1-CG 4.14Å; Y399-L403 HydrophobicContact CE1-CD1 3.73Å; Y399-L403 HydrophobicContact CE1-CD2 4.04Å; Y399-L403 HydrophobicContact CE1-CG 3.94Å; Y399-L403 WeakPolarHBondContact O-CG 3.38Å; Y399-L403 PolarHBondContact O-N 3.4Å; Q400-L403 PolarHBondContact O-N 2.9Å; L403-M406 PolarHBondContact O-N 3Å; L403-E407 PolarHBondContact O-N 2.9Å |
| 404 | F | 90.9 | Very high | 81.5 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57 | -50.6 | 172.2 | 163.9 | -89.6 | 0 | 0 | 0 | 112 | Q400 H401 F402 M406 E407 F408 P425 V426 L427 P437 S438 Y439 V454 | Q400-F404 PolarHBondContact O-N 3.35Å; H401-F404 PolarHBondContact O-N 2.69Å; F402-F404 VanDerWaalsContact C-N 3.34Å; F402-F404 PolarHBondContact O-N 2.7Å; F404-M406 PolarHBondContact O-N 2.97Å; F404-E407 PolarHBondContact O-N 2.93Å; F404-E407 VanDerWaalsContact O-N 3.14Å; F404-F408 HydrophobicContact CE1-CB 4.36Å; F404-F408 HydrophobicContact CZ-CB 4.27Å; F404-F408 AromaticContact CZ-CD2 3.9Å; F404-F408 HydrophobicContact CZ-CD2 3.9Å; F404-F408 HydrophobicContact CZ-CG 4.36Å; F404-F408 WeakPolarHBondContact O-CB 3.39Å; F404-F408 PolarHBondContact O-N 2.9Å; F404-P425 HydrophobicContact CD2-CB 4.21Å; F404-P425 HydrophobicContact CE2-CB 3.79Å; F404-V426 WeakPolarHBondContact CE2-O 3.41Å; F404-V426 WeakPolarHBondContact CZ-O 3.23Å; F404-L427 HydrophobicContact CE1-CD2 3.69Å; F404-L427 HydrophobicContact CZ-CD2 3.76Å; F404-L427 HydrophobicContact CZ-CG 4.26Å; F404-P437 HydrophobicContact CB-CB 4.49Å; F404-P437 HydrophobicContact CD1-CB 3.53Å; F404-P437 HydrophobicContact CD1-CG 3.94Å; F404-P437 HydrophobicContact CD2-CB 4.2Å; F404-P437 HydrophobicContact CE1-CB 3.74Å; F404-P437 HydrophobicContact CE1-CG 4.02Å; F404-P437 HydrophobicContact CE2-CB 4.37Å; F404-P437 HydrophobicContact CG-CB 3.79Å; F404-P437 HydrophobicContact CZ-CB 4.16Å; F404-S438 VanDerWaalsContact CE2-O 3.25Å; F404-S438 WeakPolarHBondContact CE2-O 3.5Å; F404-Y439 HydrophobicContact CD2-CE1 4.28Å; F404-Y439 AromaticContact CD2-CE2 3.98Å; F404-Y439 HydrophobicContact CD2-CE2 3.98Å; F404-Y439 AromaticContact CD2-CZ 3.79Å; F404-V454 HydrophobicContact CB-CG2 4.17Å; F404-V454 HydrophobicContact CD2-CG2 4.11Å; F404-V454 HydrophobicContact CG-CG2 4.3Å |
| 405 | W | 91.6 | Very high | 81.9 | Confident | 10 Ų | 10 | 41.1 Ų | 41.1 | 4% | 0.038 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.3 | -36.3 | -179.9 | -82.3 | 116.9 | 0 | 0 | 0 | 112.1 | A359 F363 H401 F402 F408 F409 L427 | A359-W405 HydrophobicContact CB-CB 3.78Å; A359-W405 HydrophobicContact CB-CD2 3.52Å; A359-W405 HydrophobicContact CB-CE3 3.97Å; A359-W405 HydrophobicContact CB-CG 3.43Å; A359-W405 VanDerWaalsContact CB-CG 3.43Å; F363-W405 HydrophobicContact CB-CH2 3.91Å; F363-W405 HydrophobicContact CB-CZ3 3.73Å; F363-W405 HydrophobicContact CG-CH2 4.24Å; F363-W405 HydrophobicContact CG-CZ3 4.27Å; H401-W405 PolarHBondContact O-N 2.69Å; F402-W405 PolarHBondContact O-N 2.77Å; W405-F408 HydrophobicContact CE3-CD1 4.4Å; W405-F408 HydrophobicContact CZ3-CD1 4.27Å; W405-F409 HydrophobicContact CE3-CE1 4.32Å; W405-F409 HydrophobicContact CE3-CE2 4.07Å; W405-F409 AromaticContact CE3-CZ 3.91Å; W405-F409 HydrophobicContact CE3-CZ 3.91Å; W405-F409 HydrophobicContact CZ3-CE1 4.35Å; W405-F409 HydrophobicContact CZ3-CZ 4.13Å; W405-F409 WeakPolarHBondContact O-CB 3.2Å; W405-F409 VanDerWaalsContact O-CD2 3.31Å; W405-F409 WeakPolarHBondContact O-CD2 3.34Å; W405-F409 WeakPolarHBondContact O-CG 3.03Å; W405-F409 PolarHBondContact O-N 3.02Å; W405-L427 HydrophobicContact CH2-CD1 3.76Å; W405-L427 HydrophobicContact CH2-CD2 3.86Å; W405-L427 HydrophobicContact CH2-CG 4.39Å; W405-L427 HydrophobicContact CZ2-CD2 4.1Å; W405-L427 HydrophobicContact CZ3-CD1 4.2Å; W405-L427 HydrophobicContact CZ3-CD2 4.49Å |
| 406 | M | 87.9 | Confident | 82.1 | Confident | 16 Ų | 16 | 40.8 Ų | 40.8 | 8% | 0.079 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.2 | -42.9 | 173.5 | -74.4 | -55.7 | -53.7 | 0 | 0 | 112.8 | F343 I376 I379 F402 L403 F404 V410 | F343-M406 HydrophobicContact CE1-SD 4.34Å; F343-M406 HydrophobicContact CZ-SD 4.01Å; I376-M406 HydrophobicContact CD1-CE 3.55Å; I376-M406 HydrophobicContact CD1-SD 3.73Å; I376-M406 HydrophobicContact CG2-CE 4.08Å; I379-M406 HydrophobicContact CB-CE 3.73Å; I379-M406 HydrophobicContact CB-SD 3.93Å; I379-M406 HydrophobicContact CG1-SD 4.22Å; I379-M406 HydrophobicContact CG2-CE 3.56Å; I379-M406 HydrophobicContact CG2-CG 4.3Å; I379-M406 HydrophobicContact CG2-SD 3.47Å; I379-M406 WeakPolarHBondContact CG2-SD 3.48Å; F402-M406 HydrophobicContact CD2-CG 4.23Å; F402-M406 HydrophobicContact CE1-CG 4.19Å; F402-M406 HydrophobicContact CE2-CG 3.64Å; F402-M406 HydrophobicContact CE2-SD 4.07Å; F402-M406 HydrophobicContact CZ-CG 3.63Å; F402-M406 HydrophobicContact CZ-SD 4.25Å; F402-M406 WeakPolarHBondContact O-CG 3.39Å; F402-M406 PolarHBondContact O-N 2.9Å; L403-M406 PolarHBondContact O-N 3Å; F404-M406 PolarHBondContact O-N 2.97Å; M406-V410 WeakPolarHBondContact O-CB 3.37Å; M406-V410 WeakPolarHBondContact O-CG2 3.28Å; M406-V410 PolarHBondContact O-N 2.86Å |
| 407 | E | 86.9 | Confident | 81.4 | Confident | 62 Ų | 62 | 42.4 Ų | 42.4 | 29% | 0.29 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.4 | -47.1 | 175.6 | -163.5 | 174 | 178.9 | 0 | 0 | 110.8 | L403 F404 F409 V410 E411 R423 P425 Y439 | L403-E407 PolarHBondContact O-N 2.9Å; F404-E407 PolarHBondContact O-N 2.93Å; F404-E407 VanDerWaalsContact O-N 3.14Å; E407-F409 PolarHBondContact O-N 3.33Å; E407-V410 PolarHBondContact O-N 3.48Å; E407-E411 PolarHBondContact O-N 2.92Å; E407-R423 IonicContact OE1-CZ 3.14Å; E407-R423 IonicContact OE1-NH1 3.27Å; E407-R423 PolarHBondContact OE1-NH1 2.79Å; E407-R423 IonicContact OE2-CZ 2.74Å; E407-R423 IonicContact OE2-NH1 3.5Å; E407-R423 PolarHBondContact OE2-NH1 2.96Å; E407-R423 IonicContact OE2-NH2 2.81Å; E407-P425 HydrophobicContact CG-CG 4.39Å; E407-Y439 WeakPolarHBondContact OE2-CE1 3.42Å; E407-Y439 VanDerWaalsContact OE2-CZ 3.22Å; E407-Y439 PolarHBondContact OE2-OH 3.15Å |
| 408 | F | 90.1 | Very high | 80.3 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.3 | -47.1 | 176.7 | -172.9 | -84.5 | 0 | 0 | 0 | 112.5 | F363 F404 W405 E411 Y412 P425 L427 P502 | F363-F408 AromaticContact CD2-CE1 3.87Å; F363-F408 HydrophobicContact CD2-CE1 3.87Å; F363-F408 AromaticContact CD2-CZ 4Å; F363-F408 HydrophobicContact CD2-CZ 4Å; F363-F408 HydrophobicContact CE2-CE1 4.39Å; F363-F408 HydrophobicContact CE2-CZ 4.05Å; F404-F408 HydrophobicContact CE1-CB 4.36Å; F404-F408 HydrophobicContact CZ-CB 4.27Å; F404-F408 AromaticContact CZ-CD2 3.9Å; F404-F408 HydrophobicContact CZ-CD2 3.9Å; F404-F408 HydrophobicContact CZ-CG 4.36Å; F404-F408 WeakPolarHBondContact O-CB 3.39Å; F404-F408 PolarHBondContact O-N 2.9Å; W405-F408 HydrophobicContact CE3-CD1 4.4Å; W405-F408 HydrophobicContact CZ3-CD1 4.27Å; F408-E411 PolarHBondContact O-N 3.3Å; F408-Y412 PolarHBondContact O-N 3.18Å; F408-P425 HydrophobicContact CB-CB 4.14Å; F408-P425 HydrophobicContact CB-CG 4.36Å; F408-P425 HydrophobicContact CD2-CB 4.18Å; F408-P425 HydrophobicContact CD2-CG 4.48Å; F408-L427 HydrophobicContact CE2-CD1 4.45Å; F408-L427 HydrophobicContact CE2-CG 4.23Å; F408-L427 HydrophobicContact CZ-CD1 4.28Å; F408-P502 HydrophobicContact CD2-CG 3.91Å; F408-P502 HydrophobicContact CE1-CB 4.44Å; F408-P502 HydrophobicContact CE2-CB 4.39Å; F408-P502 HydrophobicContact CE2-CG 3.91Å; F408-P502 HydrophobicContact CG-CG 4.33Å; F408-P502 HydrophobicContact CZ-CB 4.31Å; F408-P502 HydrophobicContact CZ-CG 4.32Å |
| 409 | F | 89.4 | Confident | 78.9 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.009 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -76.7 | -27.4 | 179 | -70.6 | -35 | 0 | 0 | 0 | 114 | A359 M362 F363 L372 I376 W405 E407 E411 Y412 T413 | A359-F409 HydrophobicContact CB-CE2 3.74Å; A359-F409 HydrophobicContact CB-CZ 4.32Å; A359-F409 WeakPolarHBondContact O-CZ 3.49Å; M362-F409 HydrophobicContact CB-CE2 4.35Å; M362-F409 HydrophobicContact CB-CZ 3.84Å; M362-F409 HydrophobicContact CE-CD2 4.48Å; M362-F409 HydrophobicContact CE-CE2 3.96Å; M362-F409 HydrophobicContact CE-CZ 4.39Å; F363-F409 HydrophobicContact CB-CE1 4.3Å; F363-F409 HydrophobicContact CB-CZ 4.39Å; L372-F409 HydrophobicContact CD1-CB 4.47Å; L372-F409 HydrophobicContact CD1-CD1 4.07Å; L372-F409 HydrophobicContact CD1-CD2 4.27Å; L372-F409 HydrophobicContact CD1-CE1 4.28Å; L372-F409 HydrophobicContact CD1-CE2 4.47Å; L372-F409 HydrophobicContact CD1-CG 4.05Å; L372-F409 HydrophobicContact CD1-CZ 4.47Å; L372-F409 HydrophobicContact CD2-CB 3.93Å; L372-F409 HydrophobicContact CD2-CD1 3.58Å; L372-F409 HydrophobicContact CD2-CE1 4.28Å; L372-F409 HydrophobicContact CD2-CG 3.94Å; L372-F409 HydrophobicContact CG-CB 4.32Å; L372-F409 HydrophobicContact CG-CD1 4.37Å; L372-F409 HydrophobicContact CG-CG 4.37Å; I376-F409 HydrophobicContact CD1-CB 3.42Å; I376-F409 VanDerWaalsContact CD1-CB 3.42Å; I376-F409 HydrophobicContact CD1-CD2 4.1Å; I376-F409 HydrophobicContact CD1-CG 4.23Å; I376-F409 HydrophobicContact CG1-CB 3.87Å; W405-F409 HydrophobicContact CE3-CE1 4.32Å; W405-F409 HydrophobicContact CE3-CE2 4.07Å; W405-F409 AromaticContact CE3-CZ 3.91Å; W405-F409 HydrophobicContact CE3-CZ 3.91Å; W405-F409 HydrophobicContact CZ3-CE1 4.35Å; W405-F409 HydrophobicContact CZ3-CZ 4.13Å; W405-F409 WeakPolarHBondContact O-CB 3.2Å; W405-F409 VanDerWaalsContact O-CD2 3.31Å; W405-F409 WeakPolarHBondContact O-CD2 3.34Å; W405-F409 WeakPolarHBondContact O-CG 3.03Å; W405-F409 PolarHBondContact O-N 3.02Å; E407-F409 PolarHBondContact O-N 3.33Å; F409-E411 VanDerWaalsContact C-N 3.34Å; F409-Y412 PolarHBondContact O-N 3.36Å; F409-T413 WeakPolarHBondContact O-CG2 3.31Å; F409-T413 PolarHBondContact O-N 3.3Å; F409-T413 VanDerWaalsContact O-N 3.15Å; F409-T413 PolarHBondContact O-OG1 2.81Å |
| 410 | V | 84.7 | Confident | 77.5 | Confident | 30 Ų | 30 | 48.4 Ų | 48.4 | 18% | 0.182 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.7 | -47.5 | 168.6 | 165 | 0 | 0 | 0 | 0 | 109.9 | I376 M406 E407 T413 R414 | I376-V410 HydrophobicContact CG2-CG2 3.63Å; M406-V410 WeakPolarHBondContact O-CB 3.37Å; M406-V410 WeakPolarHBondContact O-CG2 3.28Å; M406-V410 PolarHBondContact O-N 2.86Å; E407-V410 PolarHBondContact O-N 3.48Å; V410-T413 PolarHBondContact O-N 3.13Å; V410-T413 VanDerWaalsContact O-N 3.12Å; V410-T413 PolarHBondContact O-OG1 3.33Å; V410-R414 PolarHBondContact O-N 2.76Å |
| 411 | E | 83.8 | Confident | 76.2 | Confident | 22 Ų | 22 | 47.1 Ų | 47.1 | 10% | 0.103 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.3 | -34.2 | 176.5 | -65.9 | -47.8 | 139.3 | 0 | 0 | 113.3 | E407 F408 F409 T413 R414 P425 P502 H506 | E407-E411 PolarHBondContact O-N 2.92Å; F408-E411 PolarHBondContact O-N 3.3Å; F409-E411 VanDerWaalsContact C-N 3.34Å; E411-T413 PolarHBondContact O-N 3.43Å; E411-R414 PolarHBondContact O-N 3.22Å; E411-R414 IonicContact OE1-CZ 2.78Å; E411-R414 IonicContact OE1-NE 2.82Å; E411-R414 IonicContact OE1-NH1 3.26Å; E411-R414 PolarHBondContact OE1-NH1 3.09Å; E411-R414 VanDerWaalsContact OE1-NH1 3.1Å; E411-R414 IonicContact OE1-NH2 3.2Å; E411-R414 WeakPolarHBondContact OE2-CD 3.41Å; E411-R414 IonicContact OE2-CZ 2.89Å; E411-R414 VanDerWaalsContact OE2-CZ 3.31Å; E411-R414 IonicContact OE2-NE 3.26Å; E411-R414 PolarHBondContact OE2-NE 3.06Å; E411-R414 IonicContact OE2-NH1 3.76Å; E411-R414 PolarHBondContact OE2-NH1 3.01Å; E411-P425 HydrophobicContact CG-CG 4.29Å; E411-P502 HydrophobicContact CB-CB 4.19Å; E411-P502 HydrophobicContact CB-CG 3.98Å; E411-H506 PolarHBondContact O-CE1 3.33Å; E411-H506 IonicContact OE2-CE1 3.34Å; E411-H506 IonicContact OE2-NE2 3.32Å |
| 412 | Y | 85.4 | Confident | 75.2 | Confident | 34 Ų | 34 | 48.6 Ų | 48.6 | 13% | 0.133 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57 | -35 | 170.6 | -168.5 | -78.4 | 0 | 0 | 0 | 112.6 | P367 A369 L372 F408 F409 P502 T503 | P367-Y412 WeakPolarHBondContact O-CE1 3.49Å; P367-Y412 PolarHBondContact O-OH 2.94Å; A369-Y412 HydrophobicContact CB-CE1 4.33Å; L372-Y412 HydrophobicContact CD2-CD1 3.28Å; L372-Y412 HydrophobicContact CD2-CE1 3.92Å; L372-Y412 HydrophobicContact CD2-CG 3.65Å; F408-Y412 PolarHBondContact O-N 3.18Å; F409-Y412 PolarHBondContact O-N 3.36Å; Y412-P502 WeakPolarHBondContact CD2-O 3.45Å; Y412-P502 WeakPolarHBondContact CE2-O 3.24Å; Y412-T503 HydrophobicContact CD2-CG2 4.45Å; Y412-T503 HydrophobicContact CG-CG2 4.48Å |
| 413 | T | 80.8 | Confident | 74.8 | Confident | 11 Ų | 11 | 53.3 Ų | 53.3 | 7% | 0.067 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -2.4 | -177.6 | 65.7 | 0 | 0 | 0 | 0 | 114.8 | L372 K373 F409 V410 E411 | L372-T413 HydrophobicContact CB-CG2 3.89Å; L372-T413 HydrophobicContact CD2-CG2 3.87Å; L372-T413 HydrophobicContact CG-CG2 3.94Å; K373-T413 HydrophobicContact CB-CG2 3.95Å; K373-T413 HydrophobicContact CG-CG2 4.38Å; K373-T413 PolarHBondContact NZ-O 2.97Å; F409-T413 WeakPolarHBondContact O-CG2 3.31Å; F409-T413 PolarHBondContact O-N 3.3Å; F409-T413 VanDerWaalsContact O-N 3.15Å; F409-T413 PolarHBondContact O-OG1 2.81Å; V410-T413 PolarHBondContact O-N 3.13Å; V410-T413 VanDerWaalsContact O-N 3.12Å; V410-T413 PolarHBondContact O-OG1 3.33Å; E411-T413 PolarHBondContact O-N 3.43Å |
| 414 | R | 77.2 | Confident | 74.7 | Confident | 95 Ų | 95 | 51.9 Ų | 51.9 | 36% | 0.358 | 27% | 0.272 | S | S | . | . | trans | -67.9 | 132.7 | 174.8 | -99.2 | -160.4 | -167.7 | 148.3 | -10.4 | 110.3 | V410 E411 V418 D421 | V410-R414 PolarHBondContact O-N 2.76Å; E411-R414 PolarHBondContact O-N 3.22Å; E411-R414 IonicContact OE1-CZ 2.78Å; E411-R414 IonicContact OE1-NE 2.82Å; E411-R414 IonicContact OE1-NH1 3.26Å; E411-R414 PolarHBondContact OE1-NH1 3.09Å; E411-R414 VanDerWaalsContact OE1-NH1 3.1Å; E411-R414 IonicContact OE1-NH2 3.2Å; E411-R414 WeakPolarHBondContact OE2-CD 3.41Å; E411-R414 IonicContact OE2-CZ 2.89Å; E411-R414 VanDerWaalsContact OE2-CZ 3.31Å; E411-R414 IonicContact OE2-NE 3.26Å; E411-R414 PolarHBondContact OE2-NE 3.06Å; E411-R414 IonicContact OE2-NH1 3.76Å; E411-R414 PolarHBondContact OE2-NH1 3.01Å; R414-V418 VanDerWaalsContact CZ-CG2 3.45Å; R414-D421 IonicContact CZ-OD2 3.97Å; R414-D421 IonicContact NH1-OD2 2.77Å; R414-D421 PolarHBondContact NH1-OD2 3.22Å; R414-D421 IonicContact NH2-OD2 2.97Å; R414-D421 PolarHBondContact NH2-OD2 3.48Å | ||
| 415 | T | 64.3 | Low | 74.6 | Confident | 105 Ų | 105 | 52.1 Ų | 52.1 | 64% | 0.644 | 27% | 0.274 | S | S | * | . | trans | -104.9 | -16.2 | 178.9 | 41.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 416 | E | 58.6 | Low | 74.6 | Confident | 153 Ų | 153 | 51.6 Ų | 51.6 | 72% | 0.715 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -111.8 | 131.8 | -178.2 | -71.5 | -178.3 | -169.9 | 0 | 0 | 111.3 | V418 | E416-V418 PolarHBondContact O-N 3.29Š|
| 417 | P | 55.5 | Low | 74.8 | Confident | 78 Ų | 78 | 50.9 Ų | 50.9 | 51% | 0.506 | 27% | 0.268 | S | S | . | . | trans | -58.4 | 97.9 | 170.4 | -31.6 | 40.5 | 0 | 0 | 0 | 113.9 | T419 F505 | P417-T419 PolarHBondContact O-N 3.23Å; P417-F505 HydrophobicContact CB-CE1 4.09Å; P417-F505 HydrophobicContact CB-CE2 4.15Å; P417-F505 HydrophobicContact CB-CZ 3.52Å; P417-F505 HydrophobicContact CG-CE1 4.34Å; P417-F505 HydrophobicContact CG-CE2 3.89Å; P417-F505 HydrophobicContact CG-CZ 3.73Å | ||
| 418 | V | 53 | Low | 74.8 | Confident | 47 Ų | 47 | 48 Ų | 48 | 29% | 0.285 | 26% | 0.255 | S | S | . | . | trans | -74.9 | 111.6 | 167.4 | 178.2 | 0 | 0 | 0 | 0 | 109.2 | R414 E416 S420 D421 | R414-V418 VanDerWaalsContact CZ-CG2 3.45Å; E416-V418 PolarHBondContact O-N 3.29Å; V418-S420 VanDerWaalsContact C-N 3.31Å; V418-S420 VanDerWaalsContact CG1-OG 3.3Å; V418-S420 WeakPolarHBondContact CG1-OG 3.46Å; V418-S420 PolarHBondContact O-N 3.12Å; V418-D421 WeakPolarHBondContact CG1-OD1 3.46Å; V418-D421 WeakPolarHBondContact CG1-OD2 3.41Å | ||
| 419 | T | 51 | Low | 74.4 | Confident | 113 Ų | 113 | 50.5 Ų | 50.5 | 69% | 0.693 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -5.3 | -170.5 | 52.5 | 0 | 0 | 0 | 0 | 114.3 | P417 R509 | P417-T419 PolarHBondContact O-N 3.23Å; T419-R509 PolarHBondContact O-NH2 3.4Å |
| 420 | S | 51.6 | Low | 73.7 | Confident | 81 Ų | 81 | 54.2 Ų | 54.2 | 57% | 0.566 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -17.4 | -178.2 | 52.3 | 0 | 0 | 0 | 0 | 115.3 | V418 I422 | V418-S420 VanDerWaalsContact C-N 3.31Å; V418-S420 VanDerWaalsContact CG1-OG 3.3Å; V418-S420 WeakPolarHBondContact CG1-OG 3.46Å; V418-S420 PolarHBondContact O-N 3.12Å; S420-I422 PolarHBondContact O-N 2.75Å |
| 421 | D | 55.8 | Low | 72.7 | Confident | 50 Ų | 50 | 58.6 Ų | 58.6 | 27% | 0.267 | 31% | 0.314 | S | S | . | . | trans | -75.4 | 120.8 | -164.6 | -66.1 | -11.3 | 0 | 0 | 0 | 111.4 | R414 V418 F424 | R414-D421 IonicContact CZ-OD2 3.97Å; R414-D421 IonicContact NH1-OD2 2.77Å; R414-D421 PolarHBondContact NH1-OD2 3.22Å; R414-D421 IonicContact NH2-OD2 2.97Å; R414-D421 PolarHBondContact NH2-OD2 3.48Å; V418-D421 WeakPolarHBondContact CG1-OD1 3.46Å; V418-D421 WeakPolarHBondContact CG1-OD2 3.41Å; D421-F424 WeakPolarHBondContact O-CZ 3.45Å | ||
| 422 | I | 67.5 | Low | 71.9 | Confident | 73 Ų | 73 | 61.5 Ų | 61.5 | 37% | 0.374 | 34% | 0.337 | S | S | . | . | trans | -106.7 | -6.7 | -177.1 | 12.6 | 172 | 0 | 0 | 0 | 113.1 | S420 S441 V442 E444 | S420-I422 PolarHBondContact O-N 2.75Å; I422-S441 CarbonylContact O-C 3.59Å; I422-S441 WeakPolarHBondContact O-CA 3.48Å; I422-V442 HydrophobicContact CG2-CB 4.39Å; I422-V442 VanDerWaalsContact CG2-O 3.29Å; I422-V442 WeakPolarHBondContact CG2-O 3.42Å; I422-V442 PolarHBondContact O-N 3.11Å; I422-E444 HydrophobicContact CG2-CG 4.37Å | ||
| 423 | R | 79.2 | Confident | 71.4 | Confident | 103 Ų | 103 | 68.1 Ų | 68.1 | 39% | 0.389 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 136.8 | 174.9 | 175.4 | -178.1 | 174.8 | -122.4 | 10.3 | 108.6 | E407 Y439 V440 | E407-R423 IonicContact OE1-CZ 3.14Å; E407-R423 IonicContact OE1-NH1 3.27Å; E407-R423 PolarHBondContact OE1-NH1 2.79Å; E407-R423 IonicContact OE2-CZ 2.74Å; E407-R423 IonicContact OE2-NH1 3.5Å; E407-R423 PolarHBondContact OE2-NH1 2.96Å; E407-R423 IonicContact OE2-NH2 2.81Å; R423-Y439 HydrophobicContact CG-CD1 4.15Å; R423-Y439 VanDerWaalsContact CZ-CD1 3.41Å; R423-Y439 VanDerWaalsContact NE-CD1 3.3Å; R423-Y439 VanDerWaalsContact NH2-CD1 3.34Å; R423-Y439 PolarHBondContact NH2-OH 2.65Å; R423-V440 CarbonylContact C-O 3.6Å; R423-V440 WeakPolarHBondContact CA-O 3.32Å |
| 424 | F | 83.6 | Confident | 71.3 | Confident | 5 Ų | 5 | 71.6 Ų | 71.6 | 2% | 0.022 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 131.7 | 179.7 | -52.8 | -89.8 | 0 | 0 | 0 | 109.8 | D421 V426 Y439 V440 Y510 I513 | D421-F424 WeakPolarHBondContact O-CZ 3.45Å; F424-V426 HydrophobicContact CB-CG1 4.15Å; F424-Y439 WeakPolarHBondContact O-CA 3.41Å; F424-V440 HydrophobicContact CB-CG1 4.12Å; F424-V440 HydrophobicContact CD2-CG1 4.13Å; F424-V440 PolarHBondContact N-O 3.33Å; F424-V440 PolarHBondContact O-N 2.79Å; F424-Y510 HydrophobicContact CD2-CD2 4.04Å; F424-Y510 HydrophobicContact CE2-CD2 4.14Å; F424-I513 HydrophobicContact CE2-CD1 4.35Å; F424-I513 HydrophobicContact CZ-CD1 3.97Å |
| 425 | P | 89.4 | Confident | 71.8 | Confident | 4 Ų | 4 | 69.5 Ų | 69.5 | 3% | 0.026 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 128 | 164.1 | 29.9 | -32.1 | 0 | 0 | 0 | 108.9 | F404 E407 F408 E411 Y439 P502 | F404-P425 HydrophobicContact CD2-CB 4.21Å; F404-P425 HydrophobicContact CE2-CB 3.79Å; E407-P425 HydrophobicContact CG-CG 4.39Å; F408-P425 HydrophobicContact CB-CB 4.14Å; F408-P425 HydrophobicContact CB-CG 4.36Å; F408-P425 HydrophobicContact CD2-CB 4.18Å; F408-P425 HydrophobicContact CD2-CG 4.48Å; E411-P425 HydrophobicContact CG-CG 4.29Å; P425-Y439 HydrophobicContact CB-CD1 4.15Å; P425-Y439 HydrophobicContact CB-CE1 3.76Å; P425-P502 HydrophobicContact CG-CG 4.17Å; P425-P502 WeakPolarHBondContact O-CD 3.34Å |
| 426 | V | 91.5 | Very high | 72.9 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 151.5 | -178.6 | -55.1 | 0 | 0 | 0 | 0 | 110.8 | F404 F424 S438 V440 L451 L499 I500 L501 | F404-V426 WeakPolarHBondContact CE2-O 3.41Å; F404-V426 WeakPolarHBondContact CZ-O 3.23Å; F424-V426 HydrophobicContact CB-CG1 4.15Å; V426-S438 PolarHBondContact N-O 3.14Å; V426-S438 CarbonylContact O-C 3.29Å; V426-S438 WeakPolarHBondContact O-CA 3.45Å; V426-S438 WeakPolarHBondContact O-CB 3.43Å; V426-S438 PolarHBondContact O-N 2.84Å; V426-V440 HydrophobicContact CG1-CG1 4.06Å; V426-V440 HydrophobicContact CG2-CB 4.37Å; V426-L451 HydrophobicContact CG2-CD1 4.37Å; V426-L499 HydrophobicContact CB-CB 4.44Å; V426-L499 HydrophobicContact CG2-CB 4.47Å; V426-L499 HydrophobicContact CG2-CD2 4.13Å; V426-I500 WeakPolarHBondContact CA-O 3.25Å; V426-L501 HydrophobicContact CG1-CD2 4.19Å; V426-L501 HydrophobicContact CG1-CG 3.89Å |
| 427 | L | 92 | Very high | 74.5 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 113.2 | 166.6 | -65.9 | 168.5 | 0 | 0 | 0 | 107.9 | F363 F404 W405 F408 H435 L499 I500 | F363-L427 HydrophobicContact CD1-CD1 3.83Å; F363-L427 HydrophobicContact CD2-CD1 3.83Å; F363-L427 HydrophobicContact CE1-CD1 3.67Å; F363-L427 HydrophobicContact CE2-CD1 3.65Å; F363-L427 HydrophobicContact CG-CD1 3.91Å; F363-L427 HydrophobicContact CZ-CD1 3.58Å; F404-L427 HydrophobicContact CE1-CD2 3.69Å; F404-L427 HydrophobicContact CZ-CD2 3.76Å; F404-L427 HydrophobicContact CZ-CG 4.26Å; W405-L427 HydrophobicContact CH2-CD1 3.76Å; W405-L427 HydrophobicContact CH2-CD2 3.86Å; W405-L427 HydrophobicContact CH2-CG 4.39Å; W405-L427 HydrophobicContact CZ2-CD2 4.1Å; W405-L427 HydrophobicContact CZ3-CD1 4.2Å; W405-L427 HydrophobicContact CZ3-CD2 4.49Å; F408-L427 HydrophobicContact CE2-CD1 4.45Å; F408-L427 HydrophobicContact CE2-CG 4.23Å; F408-L427 HydrophobicContact CZ-CD1 4.28Å; L427-H435 HydrophobicContact CB-CB 4.3Å; L427-H435 HydrophobicContact CD1-CB 4.41Å; L427-H435 HydrophobicContact CD2-CB 4.28Å; L427-L499 WeakPolarHBondContact O-CA 3.17Å; L427-I500 HydrophobicContact CB-CB 4.3Å; L427-I500 PolarHBondContact N-O 2.87Å; L427-I500 PolarHBondContact O-N 2.65Å |
| 428 | S | 87.1 | Confident | 76.2 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 123.8 | 169.8 | -171 | 0 | 0 | 0 | 0 | 108.2 | V436 S438 | S428-V436 PolarHBondContact N-O 3.47Å; S428-V436 PolarHBondContact O-N 2.57Å; S428-S438 WeakPolarHBondContact CB-OG 3.39Å |
| 429 | M | 82.1 | Confident | 77.8 | Confident | 52 Ų | 52 | 54.4 Ų | 54.4 | 26% | 0.256 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 113.2 | 176.7 | 179.2 | 162.7 | 44.3 | 0 | 0 | 109.8 | T498 | M429-T498 HydrophobicContact CB-CG2 4.4Å; M429-T498 HydrophobicContact CE-CG2 3.52Å; M429-T498 PolarHBondContact N-O 2.84Å |
| 430 | E | 72.9 | Confident | 79.5 | Confident | 79 Ų | 79 | 49 Ų | 49 | 37% | 0.369 | 26% | 0.264 | S | S | . | . | trans | -64.5 | 159.2 | 173.9 | -79 | -74.8 | 135.4 | 0 | 0 | 111.7 | S432 K433 V434 V436 | E430-S432 VanDerWaalsContact CB-OG 3.31Å; E430-S432 WeakPolarHBondContact CB-OG 3.38Å; E430-S432 PolarHBondContact O-N 2.83Å; E430-K433 WeakPolarHBondContact O-CA 3.25Å; E430-K433 PolarHBondContact O-N 3.19Å; E430-V434 PolarHBondContact N-O 2.91Å; E430-V436 HydrophobicContact CG-CG2 3.61Å | ||
| 431 | P | 65.5 | Low | 80.8 | Confident | 122 Ų | 122 | 45.9 Ų | 45.9 | 79% | 0.792 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -23.1 | 172.2 | -25.5 | 35.4 | 0 | 0 | 0 | 114.1 | K433 | P431-K433 PolarHBondContact O-N 2.86Š|
| 432 | S | 66.9 | Low | 81.7 | Confident | 84 Ų | 84 | 43.7 Ų | 43.7 | 59% | 0.587 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -1.8 | 173.2 | 60.4 | 0 | 0 | 0 | 0 | 114.7 | E430 V434 | E430-S432 VanDerWaalsContact CB-OG 3.31Å; E430-S432 WeakPolarHBondContact CB-OG 3.38Å; E430-S432 PolarHBondContact O-N 2.83Å; S432-V434 PolarHBondContact O-N 2.95Å |
| 433 | K | 73.8 | Confident | 81.9 | Confident | 172 Ų | 172 | 42.3 Ų | 42.3 | 75% | 0.748 | 22% | 0.224 | S | C | * | . | S | Bend | trans | 61.7 | 18.8 | -169.4 | -58.3 | -164.2 | 174.6 | -167 | 0 | 115.1 | E430 P431 | E430-K433 WeakPolarHBondContact O-CA 3.25Å; E430-K433 PolarHBondContact O-N 3.19Å; P431-K433 PolarHBondContact O-N 2.86Å |
| 434 | V | 79.3 | Confident | 81.3 | Confident | 84 Ų | 84 | 43.1 Ų | 43.1 | 51% | 0.509 | 23% | 0.232 | S | C | . | . | trans | -82.6 | 132.1 | 170.2 | 179.7 | 0 | 0 | 0 | 0 | 109.4 | E430 S432 | E430-V434 PolarHBondContact N-O 2.91Å; S432-V434 PolarHBondContact O-N 2.95Å | ||
| 435 | H | 87.8 | Confident | 80.4 | Confident | 51 Ų | 51 | 48.2 Ų | 48.2 | 24% | 0.236 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 118.6 | 173.2 | -61.8 | 116.8 | 0 | 0 | 0 | 110.3 | F363 L427 I500 | F363-H435 AromaticContact CE1-CE1 3.97Å; L427-H435 HydrophobicContact CB-CB 4.3Å; L427-H435 HydrophobicContact CD1-CB 4.41Å; L427-H435 HydrophobicContact CD2-CB 4.28Å; H435-I500 WeakPolarHBondContact NE2-CD1 3.46Å |
| 436 | V | 87.3 | Confident | 79.4 | Confident | 32 Ų | 32 | 52.8 Ų | 52.8 | 19% | 0.194 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 116.2 | -179.5 | -177.3 | 0 | 0 | 0 | 0 | 110.2 | S428 E430 S438 H453 | S428-V436 PolarHBondContact N-O 3.47Å; S428-V436 PolarHBondContact O-N 2.57Å; E430-V436 HydrophobicContact CG-CG2 3.61Å; V436-S438 PolarHBondContact O-N 3.26Å; V436-S438 PolarHBondContact O-OG 2.93Å; V436-H453 HydrophobicContact CG1-CB 4Å |
| 437 | P | 91.3 | Very high | 78.5 | Confident | 19 Ų | 19 | 55.9 Ų | 55.9 | 12% | 0.123 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -46.6 | 119.5 | 168.1 | -34.4 | 40.7 | 0 | 0 | 0 | 112.5 | F404 V454 | F404-P437 HydrophobicContact CB-CB 4.49Å; F404-P437 HydrophobicContact CD1-CB 3.53Å; F404-P437 HydrophobicContact CD1-CG 3.94Å; F404-P437 HydrophobicContact CD2-CB 4.2Å; F404-P437 HydrophobicContact CE1-CB 3.74Å; F404-P437 HydrophobicContact CE1-CG 4.02Å; F404-P437 HydrophobicContact CE2-CB 4.37Å; F404-P437 HydrophobicContact CG-CB 3.79Å; F404-P437 HydrophobicContact CZ-CB 4.16Å; P437-V454 HydrophobicContact CB-CB 4.08Å; P437-V454 HydrophobicContact CB-CG2 4.05Å; P437-V454 PolarHBondContact O-N 3.29Å |
| 438 | S | 90.6 | Very high | 77.6 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 158.3 | -173 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | F404 V426 S428 V436 W452 H453 | F404-S438 VanDerWaalsContact CE2-O 3.25Å; F404-S438 WeakPolarHBondContact CE2-O 3.5Å; V426-S438 PolarHBondContact N-O 3.14Å; V426-S438 CarbonylContact O-C 3.29Å; V426-S438 WeakPolarHBondContact O-CA 3.45Å; V426-S438 WeakPolarHBondContact O-CB 3.43Å; V426-S438 PolarHBondContact O-N 2.84Å; S428-S438 WeakPolarHBondContact CB-OG 3.39Å; V436-S438 PolarHBondContact O-N 3.26Å; V436-S438 PolarHBondContact O-OG 2.93Å; S438-W452 CarbonylContact C-O 3.27Å; S438-W452 VanDerWaalsContact CA-O 3.23Å; S438-W452 WeakPolarHBondContact CA-O 3.5Å; S438-W452 WeakPolarHBondContact CB-O 3.17Å; S438-H453 PolarHBondContact OG-ND1 3.12Å |
| 439 | Y | 87.4 | Confident | 77.2 | Confident | 15 Ų | 15 | 56.1 Ų | 56.1 | 6% | 0.059 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 143.3 | 168 | -70.1 | -80.1 | 0 | 0 | 0 | 110.1 | F404 E407 R423 F424 P425 L451 W452 V454 | F404-Y439 HydrophobicContact CD2-CE1 4.28Å; F404-Y439 AromaticContact CD2-CE2 3.98Å; F404-Y439 HydrophobicContact CD2-CE2 3.98Å; F404-Y439 AromaticContact CD2-CZ 3.79Å; E407-Y439 WeakPolarHBondContact OE2-CE1 3.42Å; E407-Y439 VanDerWaalsContact OE2-CZ 3.22Å; E407-Y439 PolarHBondContact OE2-OH 3.15Å; R423-Y439 HydrophobicContact CG-CD1 4.15Å; R423-Y439 VanDerWaalsContact CZ-CD1 3.41Å; R423-Y439 VanDerWaalsContact NE-CD1 3.3Å; R423-Y439 VanDerWaalsContact NH2-CD1 3.34Å; R423-Y439 PolarHBondContact NH2-OH 2.65Å; F424-Y439 WeakPolarHBondContact O-CA 3.41Å; P425-Y439 HydrophobicContact CB-CD1 4.15Å; P425-Y439 HydrophobicContact CB-CE1 3.76Å; Y439-L451 WeakPolarHBondContact O-CA 3.36Å; Y439-W452 AromaticContact CD2-NE1 3.97Å; Y439-W452 HydrophobicContact CG-CZ2 4.29Å; Y439-W452 PolarHBondContact N-O 3.41Å; Y439-W452 PolarHBondContact O-N 3.08Å; Y439-V454 HydrophobicContact CD2-CG2 3.76Å; Y439-V454 HydrophobicContact CE2-CG2 3.52Å |
| 440 | V | 86.2 | Confident | 77.2 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 132.6 | 169.3 | 87.9 | 0 | 0 | 0 | 0 | 108.7 | R423 F424 V426 I449 S450 L451 L499 Y510 | R423-V440 CarbonylContact C-O 3.6Å; R423-V440 WeakPolarHBondContact CA-O 3.32Å; F424-V440 HydrophobicContact CB-CG1 4.12Å; F424-V440 HydrophobicContact CD2-CG1 4.13Å; F424-V440 PolarHBondContact N-O 3.33Å; F424-V440 PolarHBondContact O-N 2.79Å; V426-V440 HydrophobicContact CG1-CG1 4.06Å; V426-V440 HydrophobicContact CG2-CB 4.37Å; V440-I449 HydrophobicContact CG2-CG2 3.55Å; V440-S450 CarbonylContact C-O 3.56Å; V440-S450 VanDerWaalsContact CA-O 3.24Å; V440-S450 WeakPolarHBondContact CA-O 3.19Å; V440-S450 VanDerWaalsContact CG2-O 3.31Å; V440-S450 WeakPolarHBondContact CG2-O 3.37Å; V440-L451 HydrophobicContact CB-CD1 4.11Å; V440-L451 HydrophobicContact CG2-CB 4.13Å; V440-L451 HydrophobicContact CG2-CD1 3.97Å; V440-L499 HydrophobicContact CG2-CD1 4.43Å; V440-Y510 HydrophobicContact CB-CE2 4.34Å; V440-Y510 HydrophobicContact CG1-CD2 3.93Å; V440-Y510 HydrophobicContact CG1-CE2 3.33Å; V440-Y510 HydrophobicContact CG2-CE2 4.04Å; V440-Y510 WeakPolarHBondContact CG2-OH 3.31Å |
| 441 | S | 79.6 | Confident | 77.7 | Confident | 15 Ų | 15 | 50.3 Ų | 50.3 | 11% | 0.105 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 149.4 | 172.3 | 71 | 0 | 0 | 0 | 0 | 111.7 | I422 N443 I449 S450 W452 | I422-S441 CarbonylContact O-C 3.59Å; I422-S441 WeakPolarHBondContact O-CA 3.48Å; S441-N443 PolarHBondContact OG-OD1 2.84Å; S441-N443 VanDerWaalsContact OG-OD1 3.11Å; S441-I449 CarbonylContact O-C 3.6Å; S441-I449 VanDerWaalsContact O-CA 3.28Å; S441-I449 WeakPolarHBondContact O-CA 3.4Å; S441-I449 WeakPolarHBondContact O-CG2 3.48Å; S441-S450 PolarHBondContact N-O 3.36Å; S441-S450 PolarHBondContact O-N 3.25Å; S441-W452 WeakPolarHBondContact OG-CZ3 3.44Å |
| 442 | V | 74 | Confident | 78.7 | Confident | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.024 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 110.6 | 171.4 | -168.5 | 0 | 0 | 0 | 0 | 108.3 | I422 I449 I513 | I422-V442 HydrophobicContact CG2-CB 4.39Å; I422-V442 VanDerWaalsContact CG2-O 3.29Å; I422-V442 WeakPolarHBondContact CG2-O 3.42Å; I422-V442 PolarHBondContact O-N 3.11Å; V442-I449 HydrophobicContact CG1-CG1 4.45Å; V442-I449 HydrophobicContact CG2-CG1 4.41Å; V442-I513 HydrophobicContact CB-CG2 4.1Å; V442-I513 HydrophobicContact CG1-CG2 3.86Å; V442-I513 HydrophobicContact CG2-CG2 3.87Å |
| 443 | N | 71.5 | Confident | 79.6 | Confident | 45 Ų | 45 | 44.2 Ų | 44.2 | 24% | 0.241 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 113.1 | -176.1 | -57.3 | -33 | 0 | 0 | 0 | 109.5 | S441 N446 N447 S448 S450 | S441-N443 PolarHBondContact OG-OD1 2.84Å; S441-N443 VanDerWaalsContact OG-OD1 3.11Å; N443-N446 WeakPolarHBondContact CB-OD1 3.24Å; N443-N446 PolarHBondContact O-OD1 3.24Å; N443-N447 WeakPolarHBondContact O-CA 3.37Å; N443-N447 PolarHBondContact O-N 2.83Å; N443-S448 PolarHBondContact N-O 2.92Å; N443-S448 PolarHBondContact ND2-OG 2.84Å; N443-S448 PolarHBondContact O-N 2.94Å; N443-S450 PolarHBondContact ND2-OG 3.25Å |
| 444 | E | 67.7 | Low | 80.1 | Confident | 120 Ų | 120 | 36.8 Ų | 36.8 | 56% | 0.561 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -40.5 | -173.8 | -45.2 | -151.5 | 122.1 | 0 | 0 | 112.4 | I422 N446 N447 R517 | I422-E444 HydrophobicContact CG2-CG 4.37Å; E444-N446 VanDerWaalsContact C-N 3.29Å; E444-N446 PolarHBondContact O-N 2.91Å; E444-N447 PolarHBondContact O-N 3.44Å; E444-R517 IonicContact OE1-CZ 3.98Å; E444-R517 IonicContact OE1-NH1 3.36Å; E444-R517 PolarHBondContact OE1-NH1 3.02Å; E444-R517 IonicContact OE1-NH2 3.87Å; E444-R517 PolarHBondContact OE1-NH2 2.97Å |
| 445 | A | 64.7 | Low | 79.7 | Confident | 112 Ų | 112 | 36.9 Ų | 36.9 | 93% | 0.926 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -28.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 446 | N | 68.4 | Low | 78 | Confident | 99 Ų | 99 | 37.8 Ų | 37.8 | 53% | 0.529 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -126.2 | 15.3 | -177.7 | 60.4 | 5.3 | 0 | 0 | 0 | 112.7 | N443 E444 S448 | N443-N446 WeakPolarHBondContact CB-OD1 3.24Å; N443-N446 PolarHBondContact O-OD1 3.24Å; E444-N446 VanDerWaalsContact C-N 3.29Å; E444-N446 PolarHBondContact O-N 2.91Å; N446-S448 VanDerWaalsContact C-N 3.29Å; N446-S448 VanDerWaalsContact CG-OG 3.31Å; N446-S448 PolarHBondContact O-N 3.03Å; N446-S448 PolarHBondContact OD1-OG 3.44Å |
| 447 | N | 71.8 | Confident | 76.1 | Confident | 66 Ų | 66 | 40.3 Ų | 40.3 | 35% | 0.353 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 43.3 | 51.4 | 179.9 | -157.1 | 35.7 | 0 | 0 | 0 | 113.2 | N443 E444 A470 R517 | N443-N447 WeakPolarHBondContact O-CA 3.37Å; N443-N447 PolarHBondContact O-N 2.83Å; E444-N447 PolarHBondContact O-N 3.44Å; N447-A470 VanDerWaalsContact O-CB 3.31Å; N447-A470 WeakPolarHBondContact O-CB 3.5Å; N447-A470 PolarHBondContact O-N 2.99Å; N447-R517 PolarHBondContact ND2-O 3.39Å; N447-R517 WeakPolarHBondContact OD1-CD 3.46Å |
| 448 | S | 72.8 | Confident | 73.8 | Confident | 4 Ų | 4 | 45.1 Ų | 45.1 | 3% | 0.028 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 163.7 | -176.2 | 71.1 | 0 | 0 | 0 | 0 | 112 | N443 N446 F468 | N443-S448 PolarHBondContact N-O 2.92Å; N443-S448 PolarHBondContact ND2-OG 2.84Å; N443-S448 PolarHBondContact O-N 2.94Å; N446-S448 VanDerWaalsContact C-N 3.29Å; N446-S448 VanDerWaalsContact CG-OG 3.31Å; N446-S448 PolarHBondContact O-N 3.03Å; N446-S448 PolarHBondContact OD1-OG 3.44Å; S448-F468 CarbonylContact C-O 3.59Å; S448-F468 WeakPolarHBondContact CA-O 3.48Å |
| 449 | I | 79.8 | Confident | 71.9 | Confident | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 129.9 | 169.8 | -59.2 | -177.5 | 0 | 0 | 0 | 108.2 | V440 S441 V442 I467 F468 I473 I514 | V440-I449 HydrophobicContact CG2-CG2 3.55Å; S441-I449 CarbonylContact O-C 3.6Å; S441-I449 VanDerWaalsContact O-CA 3.28Å; S441-I449 WeakPolarHBondContact O-CA 3.4Å; S441-I449 WeakPolarHBondContact O-CG2 3.48Å; V442-I449 HydrophobicContact CG1-CG1 4.45Å; V442-I449 HydrophobicContact CG2-CG1 4.41Å; I449-I467 CarbonylContact O-C 3.58Å; I449-I467 WeakPolarHBondContact O-CA 3.43Å; I449-F468 HydrophobicContact CB-CB 4.49Å; I449-F468 PolarHBondContact N-O 3.3Å; I449-F468 PolarHBondContact O-N 3.06Å; I449-I473 HydrophobicContact CB-CD1 4.48Å; I449-I473 HydrophobicContact CD1-CD1 3.28Å; I449-I473 HydrophobicContact CD1-CG1 4.45Å; I449-I473 HydrophobicContact CG1-CD1 3.75Å; I449-I514 HydrophobicContact CD1-CD1 3.34Å; I449-I514 HydrophobicContact CD1-CG1 3.54Å; I449-I514 HydrophobicContact CD1-CG2 4.33Å |
| 450 | S | 81.1 | Confident | 70 | Confident | 8 Ų | 8 | 56.7 Ų | 56.7 | 6% | 0.056 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 134.7 | 166.6 | -66.1 | 0 | 0 | 0 | 0 | 109.6 | V440 S441 N443 W466 | V440-S450 CarbonylContact C-O 3.56Å; V440-S450 VanDerWaalsContact CA-O 3.24Å; V440-S450 WeakPolarHBondContact CA-O 3.19Å; V440-S450 VanDerWaalsContact CG2-O 3.31Å; V440-S450 WeakPolarHBondContact CG2-O 3.37Å; S441-S450 PolarHBondContact N-O 3.36Å; S441-S450 PolarHBondContact O-N 3.25Å; N443-S450 PolarHBondContact ND2-OG 3.25Å; S450-W466 CarbonylContact C-O 3.58Å; S450-W466 VanDerWaalsContact CA-O 3.32Å; S450-W466 WeakPolarHBondContact CA-O 3.43Å |
| 451 | L | 85.1 | Confident | 68.2 | Low | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 133.6 | 169.8 | 175.3 | 66.9 | 0 | 0 | 0 | 107.3 | V426 Y439 V440 Q465 W466 F468 F497 L499 | V426-L451 HydrophobicContact CG2-CD1 4.37Å; Y439-L451 WeakPolarHBondContact O-CA 3.36Å; V440-L451 HydrophobicContact CB-CD1 4.11Å; V440-L451 HydrophobicContact CG2-CB 4.13Å; V440-L451 HydrophobicContact CG2-CD1 3.97Å; L451-Q465 CarbonylContact O-C 3.57Å; L451-Q465 WeakPolarHBondContact O-CA 3.24Å; L451-W466 HydrophobicContact CB-CE3 4.36Å; L451-W466 HydrophobicContact CD2-CE3 4.07Å; L451-W466 HydrophobicContact CG-CE3 4.06Å; L451-W466 PolarHBondContact N-O 3.09Å; L451-W466 PolarHBondContact O-N 3.01Å; L451-F468 HydrophobicContact CB-CE2 4.06Å; L451-F468 HydrophobicContact CD2-CE2 4.34Å; L451-F497 HydrophobicContact CD2-CB 4.27Å; L451-F497 HydrophobicContact CD2-CD1 3.27Å; L451-F497 HydrophobicContact CD2-CD2 4.33Å; L451-F497 HydrophobicContact CD2-CE1 3.56Å; L451-F497 HydrophobicContact CD2-CG 3.69Å; L451-F497 HydrophobicContact CD2-CZ 4.22Å; L451-L499 HydrophobicContact CD1-CD2 3.94Å; L451-L499 HydrophobicContact CD2-CD2 4.26Å |
| 452 | W | 85.2 | Confident | 66.7 | Low | 62 Ų | 62 | 66 Ų | 66 | 24% | 0.235 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 145.8 | 173.4 | 63.5 | 101.9 | 0 | 0 | 0 | 112.3 | S438 Y439 S441 N464 Q465 | S438-W452 CarbonylContact C-O 3.27Å; S438-W452 VanDerWaalsContact CA-O 3.23Å; S438-W452 WeakPolarHBondContact CA-O 3.5Å; S438-W452 WeakPolarHBondContact CB-O 3.17Å; Y439-W452 AromaticContact CD2-NE1 3.97Å; Y439-W452 HydrophobicContact CG-CZ2 4.29Å; Y439-W452 PolarHBondContact N-O 3.41Å; Y439-W452 PolarHBondContact O-N 3.08Å; S441-W452 WeakPolarHBondContact OG-CZ3 3.44Å; W452-N464 CarbonylContact C-O 3.55Å; W452-N464 VanDerWaalsContact CA-O 3.24Å; W452-N464 WeakPolarHBondContact CA-O 3.27Å; W452-Q465 HydrophobicContact CB-CB 3.93Å; W452-Q465 HydrophobicContact CB-CG 3.96Å |
| 453 | H | 86.8 | Confident | 66.1 | Low | 16 Ų | 16 | 68.6 Ų | 68.6 | 7% | 0.074 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 155.3 | 171.9 | -57.6 | -37.6 | 0 | 0 | 0 | 111.2 | V436 S438 E455 N464 W466 | V436-H453 HydrophobicContact CG1-CB 4Å; S438-H453 PolarHBondContact OG-ND1 3.12Å; H453-E455 PolarHBondContact O-N 3.18Å; H453-N464 HydrophobicContact CB-CB 4.29Å; H453-N464 PolarHBondContact N-O 2.94Å; H453-W466 AromaticContact CD2-CH2 3.8Å; H453-W466 AromaticContact CD2-CZ3 3.9Å; H453-W466 AromaticContact CE1-CH2 3.98Å; H453-W466 AromaticContact CE1-CZ3 3.77Å; H453-W466 AromaticContact NE2-CH2 3.3Å; H453-W466 VanDerWaalsContact NE2-CH2 3.3Å; H453-W466 WeakPolarHBondContact NE2-CH2 3.3Å; H453-W466 AromaticContact NE2-CZ3 3.51Å |
| 454 | V | 83.8 | Confident | 66.3 | Low | 16 Ų | 16 | 67.8 Ų | 67.8 | 10% | 0.097 | 39% | 0.393 | C | S | . | . | trans | -80.3 | 106.8 | 171.1 | -177.2 | 0 | 0 | 0 | 0 | 108 | Q400 H401 F404 P437 Y439 | Q400-V454 HydrophobicContact CB-CG1 3.94Å; H401-V454 PolarHBondContact NE2-O 3.15Å; F404-V454 HydrophobicContact CB-CG2 4.17Å; F404-V454 HydrophobicContact CD2-CG2 4.11Å; F404-V454 HydrophobicContact CG-CG2 4.3Å; P437-V454 HydrophobicContact CB-CB 4.08Å; P437-V454 HydrophobicContact CB-CG2 4.05Å; P437-V454 PolarHBondContact O-N 3.29Å; Y439-V454 HydrophobicContact CD2-CG2 3.76Å; Y439-V454 HydrophobicContact CE2-CG2 3.52Å | ||
| 455 | E | 70.1 | Confident | 66.9 | Low | 86 Ų | 86 | 67.2 Ų | 67.2 | 40% | 0.402 | 39% | 0.39 | S | S | . | . | trans | -64.4 | 135.8 | -165.7 | -68.7 | -169.6 | 141.6 | 0 | 0 | 114.9 | T397 H453 A461 | T397-E455 PolarHBondContact OG1-O 3.4Å; H453-E455 PolarHBondContact O-N 3.18Å; E455-A461 VanDerWaalsContact OE1-CA 3.27Å; E455-A461 WeakPolarHBondContact OE1-CA 3.43Å | ||
| 456 | D | 52.7 | Low | 67.7 | Low | 70 Ų | 70 | 64.3 Ų | 64.3 | 37% | 0.374 | 36% | 0.356 | S | S | . | . | trans | -81 | 129.1 | 150.7 | -160.8 | -48 | 0 | 0 | 0 | 108.3 | T397 T458 V459 | T397-D456 HydrophobicContact CG2-CB 3.91Å; D456-T458 PolarHBondContact O-N 3.18Å; D456-T458 PolarHBondContact OD1-OG1 3.38Å; D456-T458 VanDerWaalsContact OD1-OG1 3.07Å; D456-V459 PolarHBondContact O-N 3.25Å | ||
| 457 | A | 46.4 | Very low | 68.2 | Low | 86 Ų | 86 | 64.4 Ų | 64.4 | 71% | 0.711 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | 7.6 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115 | T397 | T397-A457 PolarHBondContact OG1-N 2.92Å; T397-A457 VanDerWaalsContact OG1-N 3.17Å |
| 458 | T | 44.7 | Very low | 68.4 | Low | 119 Ų | 119 | 61.7 Ų | 61.7 | 73% | 0.73 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | -12.9 | -175.2 | 53.8 | 0 | 0 | 0 | 0 | 113.8 | D456 | D456-T458 PolarHBondContact O-N 3.18Å; D456-T458 PolarHBondContact OD1-OG1 3.38Å; D456-T458 VanDerWaalsContact OD1-OG1 3.07Å |
| 459 | V | 50.2 | Low | 68.4 | Low | 75 Ų | 75 | 64 Ų | 64 | 46% | 0.455 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -102.6 | 142.8 | -175.8 | -173.7 | 0 | 0 | 0 | 0 | 111.4 | D456 A461 | D456-V459 PolarHBondContact O-N 3.25Å; V459-A461 PolarHBondContact O-N 3.1Å |
| 460 | K | 46.8 | Very low | 67.9 | Low | 183 Ų | 183 | 64.5 Ų | 64.5 | 80% | 0.796 | 36% | 0.36 | S | S | * | . | trans | -67.5 | 121.5 | -178.5 | -73.7 | -179 | 177 | 176.9 | 0 | 111.7 | N462 A463 | K460-N462 PolarHBondContact O-N 3.34Å; K460-A463 PolarHBondContact O-N 3.24Å; K460-A463 VanDerWaalsContact O-N 3.1Å | ||
| 461 | A | 49.3 | Very low | 67.2 | Low | 51 Ų | 51 | 72.3 Ų | 72.3 | 42% | 0.421 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -48.5 | -32.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 117 | E455 V459 A463 | E455-A461 VanDerWaalsContact OE1-CA 3.27Å; E455-A461 WeakPolarHBondContact OE1-CA 3.43Å; V459-A461 PolarHBondContact O-N 3.1Å; A461-A463 VanDerWaalsContact C-N 3.26Å; A461-A463 PolarHBondContact O-N 3.12Å |
| 462 | N | 48.2 | Very low | 66.4 | Low | 159 Ų | 159 | 72.7 Ų | 72.7 | 85% | 0.85 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -73.9 | -10.2 | -176.3 | -65.8 | 15.6 | 0 | 0 | 0 | 114.7 | K460 | K460-N462 PolarHBondContact O-N 3.34Š|
| 463 | A | 61.7 | Low | 65.5 | Low | 59 Ų | 59 | 70 Ų | 70 | 49% | 0.488 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -90.4 | -19.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | K460 A461 W466 | K460-A463 PolarHBondContact O-N 3.24Å; K460-A463 VanDerWaalsContact O-N 3.1Å; A461-A463 VanDerWaalsContact C-N 3.26Å; A461-A463 PolarHBondContact O-N 3.12Å; A463-W466 VanDerWaalsContact O-CZ2 3.28Å; A463-W466 WeakPolarHBondContact O-CZ2 3.42Å |
| 464 | N | 75 | Confident | 64.3 | Low | 28 Ų | 28 | 69.7 Ų | 69.7 | 15% | 0.15 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -109.7 | 7.1 | -166.4 | -65.2 | -11.6 | 0 | 0 | 0 | 113.5 | W452 H453 W466 | W452-N464 CarbonylContact C-O 3.55Å; W452-N464 VanDerWaalsContact CA-O 3.24Å; W452-N464 WeakPolarHBondContact CA-O 3.27Å; H453-N464 HydrophobicContact CB-CB 4.29Å; H453-N464 PolarHBondContact N-O 2.94Å; N464-W466 WeakPolarHBondContact O-CZ3 3.28Å |
| 465 | Q | 80.7 | Confident | 63.3 | Low | 108 Ų | 108 | 69.6 Ų | 69.6 | 51% | 0.505 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 132.2 | -177.4 | 177.6 | 168.6 | 43.8 | 0 | 0 | 110.7 | L451 W452 | L451-Q465 CarbonylContact O-C 3.57Å; L451-Q465 WeakPolarHBondContact O-CA 3.24Å; W452-Q465 HydrophobicContact CB-CB 3.93Å; W452-Q465 HydrophobicContact CB-CG 3.96Å |
| 466 | W | 80.5 | Confident | 63.2 | Low | 52 Ų | 52 | 66.8 Ų | 66.8 | 20% | 0.197 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 147.1 | 179.1 | -57.6 | -89.9 | 0 | 0 | 0 | 110.8 | S450 L451 H453 A463 N464 F468 N493 F497 | S450-W466 CarbonylContact C-O 3.58Å; S450-W466 VanDerWaalsContact CA-O 3.32Å; S450-W466 WeakPolarHBondContact CA-O 3.43Å; L451-W466 HydrophobicContact CB-CE3 4.36Å; L451-W466 HydrophobicContact CD2-CE3 4.07Å; L451-W466 HydrophobicContact CG-CE3 4.06Å; L451-W466 PolarHBondContact N-O 3.09Å; L451-W466 PolarHBondContact O-N 3.01Å; H453-W466 AromaticContact CD2-CH2 3.8Å; H453-W466 AromaticContact CD2-CZ3 3.9Å; H453-W466 AromaticContact CE1-CH2 3.98Å; H453-W466 AromaticContact CE1-CZ3 3.77Å; H453-W466 AromaticContact NE2-CH2 3.3Å; H453-W466 VanDerWaalsContact NE2-CH2 3.3Å; H453-W466 WeakPolarHBondContact NE2-CH2 3.3Å; H453-W466 AromaticContact NE2-CZ3 3.51Å; A463-W466 VanDerWaalsContact O-CZ2 3.28Å; A463-W466 WeakPolarHBondContact O-CZ2 3.42Å; N464-W466 WeakPolarHBondContact O-CZ3 3.28Å; W466-F468 HydrophobicContact CB-CD2 4.5Å; W466-F468 HydrophobicContact CB-CE1 3.74Å; W466-F468 HydrophobicContact CB-CE2 3.72Å; W466-F468 HydrophobicContact CB-CZ 3.27Å; W466-F468 HydrophobicContact CG-CE1 4.25Å; W466-F468 HydrophobicContact CG-CE2 4.5Å; W466-F468 AromaticContact CG-CZ 3.74Å; W466-F468 HydrophobicContact CG-CZ 3.74Å; W466-N493 VanDerWaalsContact CD1-ND2 3.34Å; W466-N493 PolarHBondContact NE1-ND2 2.76Å; W466-F497 HydrophobicContact CD2-CE1 4.12Å; W466-F497 AromaticContact CD2-CZ 3.9Å; W466-F497 HydrophobicContact CD2-CZ 3.9Å; W466-F497 AromaticContact CE2-CZ 3.89Å; W466-F497 HydrophobicContact CE3-CE1 4.13Å; W466-F497 HydrophobicContact CE3-CZ 4.35Å; W466-F497 HydrophobicContact CG-CZ 4.19Å; W466-F497 HydrophobicContact CH2-CE1 4.26Å; W466-F497 HydrophobicContact CZ2-CE1 4.24Å; W466-F497 HydrophobicContact CZ2-CZ 4.34Å; W466-F497 HydrophobicContact CZ3-CE1 4.2Å |
| 467 | I | 80.5 | Confident | 63.7 | Low | 101 Ų | 101 | 64.8 Ų | 64.8 | 52% | 0.518 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 114.3 | 172.1 | -55.3 | -178.7 | 0 | 0 | 0 | 108.1 | I449 P469 | I449-I467 CarbonylContact O-C 3.58Å; I449-I467 WeakPolarHBondContact O-CA 3.43Å; I467-P469 WeakPolarHBondContact O-CD 3.45Å |
| 468 | F | 75.7 | Confident | 64.9 | Low | 9 Ų | 9 | 62.7 Ų | 62.7 | 4% | 0.039 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 99.5 | -177.7 | -52 | -59.9 | 0 | 0 | 0 | 109.6 | S448 I449 L451 W466 S472 I473 L488 V490 F497 | S448-F468 CarbonylContact C-O 3.59Å; S448-F468 WeakPolarHBondContact CA-O 3.48Å; I449-F468 HydrophobicContact CB-CB 4.49Å; I449-F468 PolarHBondContact N-O 3.3Å; I449-F468 PolarHBondContact O-N 3.06Å; L451-F468 HydrophobicContact CB-CE2 4.06Å; L451-F468 HydrophobicContact CD2-CE2 4.34Å; W466-F468 HydrophobicContact CB-CD2 4.5Å; W466-F468 HydrophobicContact CB-CE1 3.74Å; W466-F468 HydrophobicContact CB-CE2 3.72Å; W466-F468 HydrophobicContact CB-CZ 3.27Å; W466-F468 HydrophobicContact CG-CE1 4.25Å; W466-F468 HydrophobicContact CG-CE2 4.5Å; W466-F468 AromaticContact CG-CZ 3.74Å; W466-F468 HydrophobicContact CG-CZ 3.74Å; F468-S472 WeakPolarHBondContact CA-OG 3.43Å; F468-I473 HydrophobicContact CB-CG1 4.09Å; F468-L488 HydrophobicContact CD2-CD2 4.18Å; F468-L488 HydrophobicContact CE2-CD2 4.17Å; F468-V490 HydrophobicContact CB-CG1 4.17Å; F468-V490 HydrophobicContact CD1-CB 4.23Å; F468-V490 HydrophobicContact CD1-CG1 3.63Å; F468-V490 HydrophobicContact CD1-CG2 4.39Å; F468-V490 HydrophobicContact CD2-CG1 4.32Å; F468-V490 HydrophobicContact CE1-CB 4.3Å; F468-V490 HydrophobicContact CE1-CG1 4.04Å; F468-V490 HydrophobicContact CE1-CG2 3.97Å; F468-V490 HydrophobicContact CG-CG1 3.78Å; F468-V490 HydrophobicContact CZ-CG2 4.32Å; F468-F497 HydrophobicContact CE1-CE2 4.23Å; F468-F497 HydrophobicContact CE2-CD2 4.42Å; F468-F497 HydrophobicContact CE2-CE2 4.17Å; F468-F497 HydrophobicContact CZ-CD2 4.08Å; F468-F497 AromaticContact CZ-CE2 3.42Å; F468-F497 HydrophobicContact CZ-CE2 3.42Å; F468-F497 VanDerWaalsContact CZ-CE2 3.42Å; F468-F497 AromaticContact CZ-CZ 3.88Å; F468-F497 HydrophobicContact CZ-CZ 3.88Å |
| 469 | P | 73.2 | Confident | 66.2 | Low | 53 Ų | 53 | 57.6 Ų | 57.6 | 34% | 0.344 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 148.3 | 166.9 | 22.6 | -31.6 | 0 | 0 | 0 | 110.3 | I467 E471 S472 I473 | I467-P469 WeakPolarHBondContact O-CD 3.45Å; P469-E471 PolarHBondContact O-N 2.87Å; P469-S472 VanDerWaalsContact CD-OG 3.32Å; P469-S472 WeakPolarHBondContact CD-OG 3.23Å; P469-S472 WeakPolarHBondContact O-CA 3.1Å; P469-S472 WeakPolarHBondContact O-CB 3.48Å; P469-S472 PolarHBondContact O-N 2.87Å; P469-S472 PolarHBondContact O-OG 2.95Å; P469-I473 PolarHBondContact O-N 3.36Å |
| 470 | A | 69 | Low | 66.7 | Low | 14 Ų | 14 | 63 Ų | 63 | 12% | 0.116 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -27.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | N447 | N447-A470 VanDerWaalsContact O-CB 3.31Å; N447-A470 WeakPolarHBondContact O-CB 3.5Å; N447-A470 PolarHBondContact O-N 2.99Å |
| 471 | E | 65.4 | Low | 67.7 | Low | 171 Ų | 171 | 59 Ų | 59 | 80% | 0.799 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -37.1 | 173.9 | -56.8 | 172.4 | -119.6 | 0 | 0 | 112.9 | P469 Y491 | P469-E471 PolarHBondContact O-N 2.87Å; E471-Y491 WeakPolarHBondContact O-CD2 3.39Å |
| 472 | S | 69.1 | Low | 69 | Low | 9 Ų | 9 | 57.6 Ų | 57.6 | 6% | 0.063 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -20.5 | -179.8 | 72.6 | 0 | 0 | 0 | 0 | 113.2 | F468 P469 R474 V490 Y491 | F468-S472 WeakPolarHBondContact CA-OG 3.43Å; P469-S472 VanDerWaalsContact CD-OG 3.32Å; P469-S472 WeakPolarHBondContact CD-OG 3.23Å; P469-S472 WeakPolarHBondContact O-CA 3.1Å; P469-S472 WeakPolarHBondContact O-CB 3.48Å; P469-S472 PolarHBondContact O-N 2.87Å; P469-S472 PolarHBondContact O-OG 2.95Å; S472-R474 PolarHBondContact O-N 3.46Å; S472-V490 CarbonylContact O-C 3.51Å; S472-V490 WeakPolarHBondContact O-CA 3.27Å; S472-Y491 WeakPolarHBondContact O-CD2 2.99Å; S472-Y491 PolarHBondContact O-N 3.49Å |
| 473 | I | 65.8 | Low | 70.6 | Confident | 5 Ų | 5 | 56.1 Ų | 56.1 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 128.5 | 173.3 | -57.6 | 170.8 | 0 | 0 | 0 | 107.4 | I449 F468 P469 L488 V490 I514 R518 | I449-I473 HydrophobicContact CB-CD1 4.48Å; I449-I473 HydrophobicContact CD1-CD1 3.28Å; I449-I473 HydrophobicContact CD1-CG1 4.45Å; I449-I473 HydrophobicContact CG1-CD1 3.75Å; F468-I473 HydrophobicContact CB-CG1 4.09Å; P469-I473 PolarHBondContact O-N 3.36Å; I473-L488 HydrophobicContact CG2-CD1 3.92Å; I473-V490 HydrophobicContact CG1-CG1 4.36Å; I473-I514 HydrophobicContact CD1-CG2 4.25Å; I473-I514 HydrophobicContact CG2-CG2 4.23Å; I473-R518 PolarHBondContact O-NE 3.34Å; I473-R518 PolarHBondContact O-NH2 3.05Å |
| 474 | R | 62.2 | Low | 71.7 | Confident | 10 Ų | 10 | 54.1 Ų | 54.1 | 4% | 0.038 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | -39.4 | -169.6 | -179.7 | 174.7 | -172.5 | -146 | 8.1 | 112.7 | S472 Y489 Y491 R518 Q681 K682 R712 | S472-R474 PolarHBondContact O-N 3.46Å; R474-Y489 WeakPolarHBondContact CB-O 3.01Å; R474-Y489 PolarHBondContact N-O 3.1Å; R474-Y491 HydrophobicContact CB-CD1 4.23Å; R474-Y491 HydrophobicContact CB-CD2 4.07Å; R474-Y491 HydrophobicContact CB-CE1 4.22Å; R474-Y491 HydrophobicContact CB-CE2 4.08Å; R474-Y491 HydrophobicContact CB-CG 4.14Å; R474-Y491 HydrophobicContact CG-CD1 4Å; R474-Y491 HydrophobicContact CG-CE1 3.7Å; R474-Y491 HydrophobicContact CG-CE2 4.33Å; R474-Y491 HydrophobicContact CG-CG 4.42Å; R474-R518 VanDerWaalsContact C-NH2 3.28Å; R474-R518 VanDerWaalsContact O-CZ 3.29Å; R474-R518 PolarHBondContact O-NH1 3.39Å; R474-R518 PolarHBondContact O-NH2 3.2Å; R474-Q681 PolarHBondContact NH2-O 2.81Å; R474-K682 PolarHBondContact NH2-O 3Å; R474-R712 VanDerWaalsContact NH2-CG 3.34Å; R474-R712 PolarHBondContact O-NH1 3.13Å; R474-R712 VanDerWaalsContact O-NH1 3.07Å |
| 475 | A | 61.5 | Low | 72.2 | Confident | 13 Ų | 13 | 53 Ų | 53 | 11% | 0.107 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.2 | 171.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y489 | A475-Y489 HydrophobicContact CB-CD2 3.75Å; A475-Y489 HydrophobicContact CB-CG 4.15Å; A475-Y489 PolarHBondContact N-O 3.2Å; A475-Y489 PolarHBondContact O-N 3.41Å; A475-Y489 VanDerWaalsContact O-N 3.15Å |
| 476 | I | 69 | Low | 72.2 | Confident | 27 Ų | 27 | 47.9 Ų | 47.9 | 14% | 0.138 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 142.6 | 163.3 | -144.2 | 170.2 | 0 | 0 | 0 | 108.8 | V486 Y487 L488 Y510 C511 I514 V515 | I476-V486 HydrophobicContact CD1-CG1 4.19Å; I476-V486 HydrophobicContact CD1-CG2 4.22Å; I476-V486 HydrophobicContact CG1-CG1 4.27Å; I476-V486 HydrophobicContact CG1-CG2 3.99Å; I476-Y487 WeakPolarHBondContact CA-O 3.36Å; I476-Y487 VanDerWaalsContact CG1-O 3.29Å; I476-Y487 WeakPolarHBondContact CG1-O 3.35Å; I476-L488 HydrophobicContact CD1-CD1 4.2Å; I476-L488 HydrophobicContact CG1-CD1 4.34Å; I476-Y510 HydrophobicContact CD1-CD1 4.04Å; I476-Y510 HydrophobicContact CD1-CE1 3.74Å; I476-C511 HydrophobicContact CG2-CB 4.49Å; I476-I514 HydrophobicContact CD1-CB 4.46Å; I476-I514 HydrophobicContact CD1-CD1 3.45Å; I476-I514 VanDerWaalsContact CD1-CD1 3.45Å; I476-I514 HydrophobicContact CD1-CG2 4.43Å; I476-V515 HydrophobicContact CG2-CG2 4.38Å |
| 477 | S | 63.6 | Low | 72 | Confident | 28 Ų | 28 | 47.4 Ų | 47.4 | 20% | 0.196 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 139.5 | 179.8 | -171.5 | 0 | 0 | 0 | 0 | 111.2 | V486 Y487 | S477-V486 CarbonylContact O-C 3.57Å; S477-V486 WeakPolarHBondContact O-CA 2.9Å; S477-V486 WeakPolarHBondContact O-CG2 3.5Å; S477-Y487 PolarHBondContact N-O 3.46Å; S477-Y487 PolarHBondContact O-N 3.26Å |
| 478 | A | 70.1 | Confident | 71.8 | Confident | 43 Ų | 43 | 42.6 Ų | 42.6 | 36% | 0.355 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 144.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 479 | S | 71.7 | Confident | 71.4 | Confident | 12 Ų | 12 | 43.8 Ų | 43.8 | 8% | 0.084 | 23% | 0.233 | C | C | . | . | trans | -72.8 | 141.5 | 174.4 | -173 | 0 | 0 | 0 | 0 | 112.1 | S481 T485 | S479-S481 PolarHBondContact OG-N 3.18Å; S479-S481 PolarHBondContact OG-OG 2.72Å; S479-T485 PolarHBondContact N-O 3.28Å | ||
| 480 | K | 61 | Low | 71 | Confident | 188 Ų | 188 | 41.5 Ų | 41.5 | 82% | 0.817 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -75.5 | -23.5 | 169.6 | -67.9 | -170.1 | 176.2 | -171.2 | 0 | 113.1 | ||
| 481 | S | 69 | Low | 70.3 | Confident | 99 Ų | 99 | 45.2 Ų | 45.2 | 69% | 0.692 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -95.9 | -23.8 | -172.9 | 57 | 0 | 0 | 0 | 0 | 114.5 | S479 | S479-S481 PolarHBondContact OG-N 3.18Å; S479-S481 PolarHBondContact OG-OG 2.72Å |
| 482 | D | 76.6 | Confident | 69.7 | Low | 21 Ų | 21 | 44 Ų | 44 | 11% | 0.112 | 23% | 0.227 | C | C | . | . | trans | -142.5 | 112.8 | 172.4 | -169.1 | -50.4 | 0 | 0 | 0 | 110 | K366 R484 T485 | K366-D482 VanDerWaalsContact CE-OD2 3.24Å; K366-D482 WeakPolarHBondContact CE-OD2 3.28Å; K366-D482 IonicContact NZ-OD2 3.33Å; K366-D482 PolarHBondContact NZ-OD2 3.27Å; D482-R484 PolarHBondContact O-N 2.71Å; D482-R484 VanDerWaalsContact OD1-CB 3.28Å; D482-R484 WeakPolarHBondContact OD1-CB 3.49Å; D482-R484 IonicContact OD1-CZ 3.59Å; D482-R484 PolarHBondContact OD1-N 2.67Å; D482-R484 IonicContact OD1-NE 3.9Å; D482-R484 PolarHBondContact OD1-NE 3.13Å; D482-R484 IonicContact OD1-NH2 2.86Å; D482-R484 IonicContact OD2-CZ 2.69Å; D482-R484 IonicContact OD2-NE 2.68Å; D482-R484 IonicContact OD2-NH2 3.34Å; D482-R484 PolarHBondContact OD2-NH2 3.44Å; D482-T485 WeakPolarHBondContact O-CB 3.21Å; D482-T485 PolarHBondContact O-N 3.03Å | ||
| 483 | E | 80.6 | Confident | 68.9 | Low | 128 Ų | 128 | 46 Ų | 46 | 60% | 0.598 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -15.3 | -179.1 | 64.6 | -164.9 | 143.9 | 0 | 0 | 114.3 | D504 R507 | E483-D504 HydrophobicContact CB-CB 4.34Å; E483-D504 HydrophobicContact CG-CB 4.25Å; E483-R507 WeakPolarHBondContact O-CD 3.39Å; E483-R507 VanDerWaalsContact O-CZ 3.28Å; E483-R507 PolarHBondContact O-NH1 3.38Å |
| 484 | R | 85.3 | Confident | 67.9 | Low | 17 Ų | 17 | 50.6 Ų | 50.6 | 6% | 0.064 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -9.2 | 175.7 | -55.5 | 168.3 | -63.3 | 164 | 11.2 | 113.5 | D482 I500 L501 | D482-R484 PolarHBondContact O-N 2.71Å; D482-R484 VanDerWaalsContact OD1-CB 3.28Å; D482-R484 WeakPolarHBondContact OD1-CB 3.49Å; D482-R484 IonicContact OD1-CZ 3.59Å; D482-R484 PolarHBondContact OD1-N 2.67Å; D482-R484 IonicContact OD1-NE 3.9Å; D482-R484 PolarHBondContact OD1-NE 3.13Å; D482-R484 IonicContact OD1-NH2 2.86Å; D482-R484 IonicContact OD2-CZ 2.69Å; D482-R484 IonicContact OD2-NE 2.68Å; D482-R484 IonicContact OD2-NH2 3.34Å; D482-R484 PolarHBondContact OD2-NH2 3.44Å; R484-I500 HydrophobicContact CB-CG2 3.87Å; R484-L501 WeakPolarHBondContact CB-O 3.4Å; R484-L501 PolarHBondContact O-N 3.32Å |
| 485 | T | 85 | Confident | 67.4 | Low | 6 Ų | 6 | 54.6 Ų | 54.6 | 4% | 0.037 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 140.1 | -167.3 | -54.2 | 0 | 0 | 0 | 0 | 112.4 | S479 D482 T498 L499 I500 R507 | S479-T485 PolarHBondContact N-O 3.28Å; D482-T485 WeakPolarHBondContact O-CB 3.21Å; D482-T485 PolarHBondContact O-N 3.03Å; T485-T498 HydrophobicContact CG2-CG2 3.51Å; T485-L499 WeakPolarHBondContact CA-O 3.28Å; T485-I500 HydrophobicContact CG2-CG1 4.18Å; T485-R507 WeakPolarHBondContact O-CD 3.42Å |
| 486 | V | 82.1 | Confident | 67.7 | Low | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 146 | 174.3 | 107.2 | 0 | 0 | 0 | 0 | 110.6 | I476 S477 T498 L499 L501 R507 Y510 C511 | I476-V486 HydrophobicContact CD1-CG1 4.19Å; I476-V486 HydrophobicContact CD1-CG2 4.22Å; I476-V486 HydrophobicContact CG1-CG1 4.27Å; I476-V486 HydrophobicContact CG1-CG2 3.99Å; S477-V486 CarbonylContact O-C 3.57Å; S477-V486 WeakPolarHBondContact O-CA 2.9Å; S477-V486 WeakPolarHBondContact O-CG2 3.5Å; V486-T498 CarbonylContact O-C 3.39Å; V486-T498 WeakPolarHBondContact O-CA 3.37Å; V486-L499 HydrophobicContact CG1-CB 4.21Å; V486-L499 PolarHBondContact N-O 3.26Å; V486-L499 PolarHBondContact O-N 3.41Å; V486-L501 HydrophobicContact CB-CD1 4.23Å; V486-L501 HydrophobicContact CG1-CD1 4.35Å; V486-R507 HydrophobicContact CB-CG 4.09Å; V486-R507 HydrophobicContact CG2-CG 3.99Å; V486-Y510 HydrophobicContact CG1-CD1 4.02Å; V486-Y510 HydrophobicContact CG1-CE1 3.85Å; V486-C511 WeakPolarHBondContact CG2-SG 3.44Å |
| 487 | Y | 75.5 | Confident | 68.2 | Low | 42 Ų | 42 | 55.3 Ų | 55.3 | 17% | 0.165 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 119.8 | 169.5 | -58.1 | -77.5 | 0 | 0 | 0 | 108.7 | I476 S477 Y489 F497 T498 | I476-Y487 WeakPolarHBondContact CA-O 3.36Å; I476-Y487 VanDerWaalsContact CG1-O 3.29Å; I476-Y487 WeakPolarHBondContact CG1-O 3.35Å; S477-Y487 PolarHBondContact N-O 3.46Å; S477-Y487 PolarHBondContact O-N 3.26Å; Y487-Y489 WeakPolarHBondContact CB-OH 3.32Å; Y487-Y489 WeakPolarHBondContact O-CE2 3.28Å; Y487-F497 WeakPolarHBondContact CA-O 3.41Å; Y487-T498 HydrophobicContact CD1-CG2 3.94Å; Y487-T498 VanDerWaalsContact CD1-OG1 3.32Å; Y487-T498 WeakPolarHBondContact CD1-OG1 3.45Å; Y487-T498 HydrophobicContact CE1-CG2 3.56Å; Y487-T498 VanDerWaalsContact CE1-OG1 3.31Å; Y487-T498 WeakPolarHBondContact CE1-OG1 3.44Å |
| 488 | L | 75.2 | Confident | 69.2 | Low | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 111.1 | 175.4 | 175.6 | 69.1 | 0 | 0 | 0 | 109.3 | F468 I473 I476 F497 L499 | F468-L488 HydrophobicContact CD2-CD2 4.18Å; F468-L488 HydrophobicContact CE2-CD2 4.17Å; I473-L488 HydrophobicContact CG2-CD1 3.92Å; I476-L488 HydrophobicContact CD1-CD1 4.2Å; I476-L488 HydrophobicContact CG1-CD1 4.34Å; L488-F497 HydrophobicContact CB-CB 4.29Å; L488-F497 PolarHBondContact N-O 3.1Å; L488-F497 PolarHBondContact O-N 2.84Å; L488-L499 HydrophobicContact CD2-CD1 4.46Å |
| 489 | Y | 67.3 | Low | 70.1 | Confident | 34 Ų | 34 | 53 Ų | 53 | 13% | 0.133 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 133.7 | 179.2 | -53.1 | -94.3 | 0 | 0 | 0 | 109.1 | R474 A475 Y487 D496 | R474-Y489 WeakPolarHBondContact CB-O 3.01Å; R474-Y489 PolarHBondContact N-O 3.1Å; A475-Y489 HydrophobicContact CB-CD2 3.75Å; A475-Y489 HydrophobicContact CB-CG 4.15Å; A475-Y489 PolarHBondContact N-O 3.2Å; A475-Y489 PolarHBondContact O-N 3.41Å; A475-Y489 VanDerWaalsContact O-N 3.15Å; Y487-Y489 WeakPolarHBondContact CB-OH 3.32Å; Y487-Y489 WeakPolarHBondContact O-CE2 3.28Å; Y489-D496 WeakPolarHBondContact CA-OD1 3.37Å; Y489-D496 HydrophobicContact CD1-CB 4.35Å; Y489-D496 WeakPolarHBondContact CD1-OD1 3.37Å; Y489-D496 WeakPolarHBondContact CD1-OD2 3.33Å; Y489-D496 WeakPolarHBondContact CE1-OD2 3.4Å |
| 490 | V | 65 | Low | 71 | Confident | 5 Ų | 5 | 52.7 Ų | 52.7 | 3% | 0.03 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 149.9 | -179.3 | -86.8 | 0 | 0 | 0 | 0 | 111.6 | F468 S472 I473 N493 F497 | F468-V490 HydrophobicContact CB-CG1 4.17Å; F468-V490 HydrophobicContact CD1-CB 4.23Å; F468-V490 HydrophobicContact CD1-CG1 3.63Å; F468-V490 HydrophobicContact CD1-CG2 4.39Å; F468-V490 HydrophobicContact CD2-CG1 4.32Å; F468-V490 HydrophobicContact CE1-CB 4.3Å; F468-V490 HydrophobicContact CE1-CG1 4.04Å; F468-V490 HydrophobicContact CE1-CG2 3.97Å; F468-V490 HydrophobicContact CG-CG1 3.78Å; F468-V490 HydrophobicContact CZ-CG2 4.32Å; S472-V490 CarbonylContact O-C 3.51Å; S472-V490 WeakPolarHBondContact O-CA 3.27Å; I473-V490 HydrophobicContact CG1-CG1 4.36Å; V490-N493 HydrophobicContact CG2-CB 4.16Å; V490-F497 HydrophobicContact CG2-CD2 4.24Å; V490-F497 HydrophobicContact CG2-CE2 4.07Å |
| 491 | Y | 55.5 | Low | 72.4 | Confident | 92 Ų | 92 | 43.8 Ų | 43.8 | 36% | 0.361 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -77.8 | -25.6 | -174.8 | -76.7 | -67.6 | 0 | 0 | 0 | 114.3 | E471 S472 R474 | E471-Y491 WeakPolarHBondContact O-CD2 3.39Å; S472-Y491 WeakPolarHBondContact O-CD2 2.99Å; S472-Y491 PolarHBondContact O-N 3.49Å; R474-Y491 HydrophobicContact CB-CD1 4.23Å; R474-Y491 HydrophobicContact CB-CD2 4.07Å; R474-Y491 HydrophobicContact CB-CE1 4.22Å; R474-Y491 HydrophobicContact CB-CE2 4.08Å; R474-Y491 HydrophobicContact CB-CG 4.14Å; R474-Y491 HydrophobicContact CG-CD1 4Å; R474-Y491 HydrophobicContact CG-CE1 3.7Å; R474-Y491 HydrophobicContact CG-CE2 4.33Å; R474-Y491 HydrophobicContact CG-CG 4.42Å |
| 492 | L | 52.5 | Low | 73.2 | Confident | 144 Ų | 144 | 39 Ų | 39 | 75% | 0.754 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -101.6 | -16.6 | -168 | -80.4 | 161.3 | 0 | 0 | 0 | 114.7 | ||
| 493 | N | 51.2 | Low | 73.5 | Confident | 51 Ų | 51 | 39.5 Ų | 39.5 | 27% | 0.273 | 20% | 0.203 | S | C | . | . | trans | -101.6 | 151.2 | 171 | -79.7 | -2.4 | 0 | 0 | 0 | 110 | W466 V490 F497 | W466-N493 VanDerWaalsContact CD1-ND2 3.34Å; W466-N493 PolarHBondContact NE1-ND2 2.76Å; V490-N493 HydrophobicContact CG2-CB 4.16Å; N493-F497 WeakPolarHBondContact ND2-CZ 3.33Å | ||
| 494 | S | 45.5 | Very low | 73.5 | Confident | 102 Ų | 102 | 35.4 Ų | 35.4 | 71% | 0.713 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -69.3 | -21.9 | 167.2 | 44.4 | 0 | 0 | 0 | 0 | 112.9 | ||
| 495 | D | 52.9 | Low | 73.1 | Confident | 94 Ų | 94 | 38.5 Ų | 38.5 | 50% | 0.503 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -109.3 | 127.2 | -162.3 | -43.7 | -32.3 | 0 | 0 | 0 | 109.9 | ||
| 496 | D | 68 | Low | 73 | Confident | 39 Ų | 39 | 38.9 Ų | 38.9 | 21% | 0.209 | 20% | 0.201 | C | C | . | . | trans | -82.4 | 136.4 | 171.4 | -72.3 | -25.3 | 0 | 0 | 0 | 109.9 | Y489 A714 | Y489-D496 WeakPolarHBondContact CA-OD1 3.37Å; Y489-D496 HydrophobicContact CD1-CB 4.35Å; Y489-D496 WeakPolarHBondContact CD1-OD1 3.37Å; Y489-D496 WeakPolarHBondContact CD1-OD2 3.33Å; Y489-D496 WeakPolarHBondContact CE1-OD2 3.4Å; D496-A714 VanDerWaalsContact CG-CB 3.41Å; D496-A714 WeakPolarHBondContact OD1-CB 3.14Å; D496-A714 WeakPolarHBondContact OD2-CB 3.49Å; D496-A714 VanDerWaalsContact OD2-O 3.13Å | ||
| 497 | F | 78.1 | Confident | 73.1 | Confident | 17 Ų | 17 | 40.5 Ų | 40.5 | 8% | 0.075 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 118.2 | 179.7 | -63.9 | -90.4 | 0 | 0 | 0 | 110.3 | L451 W466 F468 Y487 L488 V490 N493 L499 | L451-F497 HydrophobicContact CD2-CB 4.27Å; L451-F497 HydrophobicContact CD2-CD1 3.27Å; L451-F497 HydrophobicContact CD2-CD2 4.33Å; L451-F497 HydrophobicContact CD2-CE1 3.56Å; L451-F497 HydrophobicContact CD2-CG 3.69Å; L451-F497 HydrophobicContact CD2-CZ 4.22Å; W466-F497 HydrophobicContact CD2-CE1 4.12Å; W466-F497 AromaticContact CD2-CZ 3.9Å; W466-F497 HydrophobicContact CD2-CZ 3.9Å; W466-F497 AromaticContact CE2-CZ 3.89Å; W466-F497 HydrophobicContact CE3-CE1 4.13Å; W466-F497 HydrophobicContact CE3-CZ 4.35Å; W466-F497 HydrophobicContact CG-CZ 4.19Å; W466-F497 HydrophobicContact CH2-CE1 4.26Å; W466-F497 HydrophobicContact CZ2-CE1 4.24Å; W466-F497 HydrophobicContact CZ2-CZ 4.34Å; W466-F497 HydrophobicContact CZ3-CE1 4.2Å; F468-F497 HydrophobicContact CE1-CE2 4.23Å; F468-F497 HydrophobicContact CE2-CD2 4.42Å; F468-F497 HydrophobicContact CE2-CE2 4.17Å; F468-F497 HydrophobicContact CZ-CD2 4.08Å; F468-F497 AromaticContact CZ-CE2 3.42Å; F468-F497 HydrophobicContact CZ-CE2 3.42Å; F468-F497 VanDerWaalsContact CZ-CE2 3.42Å; F468-F497 AromaticContact CZ-CZ 3.88Å; F468-F497 HydrophobicContact CZ-CZ 3.88Å; Y487-F497 WeakPolarHBondContact CA-O 3.41Å; L488-F497 HydrophobicContact CB-CB 4.29Å; L488-F497 PolarHBondContact N-O 3.1Å; L488-F497 PolarHBondContact O-N 2.84Å; V490-F497 HydrophobicContact CG2-CD2 4.24Å; V490-F497 HydrophobicContact CG2-CE2 4.07Å; N493-F497 WeakPolarHBondContact ND2-CZ 3.33Å; F497-L499 HydrophobicContact CB-CD2 4.05Å; F497-L499 HydrophobicContact CB-CG 4.25Å |
| 498 | T | 85.9 | Confident | 73.2 | Confident | 21 Ų | 21 | 43 Ų | 43 | 13% | 0.129 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 106 | 169.2 | -54.4 | 0 | 0 | 0 | 0 | 108.6 | M429 T485 V486 Y487 | M429-T498 HydrophobicContact CB-CG2 4.4Å; M429-T498 HydrophobicContact CE-CG2 3.52Å; M429-T498 PolarHBondContact N-O 2.84Å; T485-T498 HydrophobicContact CG2-CG2 3.51Å; V486-T498 CarbonylContact O-C 3.39Å; V486-T498 WeakPolarHBondContact O-CA 3.37Å; Y487-T498 HydrophobicContact CD1-CG2 3.94Å; Y487-T498 VanDerWaalsContact CD1-OG1 3.32Å; Y487-T498 WeakPolarHBondContact CD1-OG1 3.45Å; Y487-T498 HydrophobicContact CE1-CG2 3.56Å; Y487-T498 VanDerWaalsContact CE1-OG1 3.31Å; Y487-T498 WeakPolarHBondContact CE1-OG1 3.44Å |
| 499 | L | 88.2 | Confident | 73.2 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 125.5 | -177.3 | -50.2 | 175.9 | 0 | 0 | 0 | 109.9 | V426 L427 V440 L451 T485 V486 L488 F497 Y510 | V426-L499 HydrophobicContact CB-CB 4.44Å; V426-L499 HydrophobicContact CG2-CB 4.47Å; V426-L499 HydrophobicContact CG2-CD2 4.13Å; L427-L499 WeakPolarHBondContact O-CA 3.17Å; V440-L499 HydrophobicContact CG2-CD1 4.43Å; L451-L499 HydrophobicContact CD1-CD2 3.94Å; L451-L499 HydrophobicContact CD2-CD2 4.26Å; T485-L499 WeakPolarHBondContact CA-O 3.28Å; V486-L499 HydrophobicContact CG1-CB 4.21Å; V486-L499 PolarHBondContact N-O 3.26Å; V486-L499 PolarHBondContact O-N 3.41Å; L488-L499 HydrophobicContact CD2-CD1 4.46Å; F497-L499 HydrophobicContact CB-CD2 4.05Å; F497-L499 HydrophobicContact CB-CG 4.25Å; L499-Y510 HydrophobicContact CD1-CE1 4.13Å |
| 500 | I | 90.6 | Very high | 73.5 | Confident | 7 Ų | 7 | 44 Ų | 44 | 4% | 0.036 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 118.5 | 173.5 | -43.5 | 177.3 | 0 | 0 | 0 | 108.5 | F363 V426 L427 H435 R484 T485 | F363-I500 HydrophobicContact CE2-CG2 4.01Å; F363-I500 HydrophobicContact CZ-CB 4.44Å; F363-I500 HydrophobicContact CZ-CD1 3.93Å; F363-I500 HydrophobicContact CZ-CG2 3.93Å; V426-I500 WeakPolarHBondContact CA-O 3.25Å; L427-I500 HydrophobicContact CB-CB 4.3Å; L427-I500 PolarHBondContact N-O 2.87Å; L427-I500 PolarHBondContact O-N 2.65Å; H435-I500 WeakPolarHBondContact NE2-CD1 3.46Å; R484-I500 HydrophobicContact CB-CG2 3.87Å; T485-I500 HydrophobicContact CG2-CG1 4.18Å |
| 501 | L | 90 | Very high | 73.9 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -89.4 | 168.1 | 179.7 | -65.7 | 98 | 0 | 0 | 0 | 110.8 | V426 R484 V486 T503 H506 R507 Y510 | V426-L501 HydrophobicContact CG1-CD2 4.19Å; V426-L501 HydrophobicContact CG1-CG 3.89Å; R484-L501 WeakPolarHBondContact CB-O 3.4Å; R484-L501 PolarHBondContact O-N 3.32Å; V486-L501 HydrophobicContact CB-CD1 4.23Å; V486-L501 HydrophobicContact CG1-CD1 4.35Å; L501-T503 PolarHBondContact O-N 2.96Å; L501-H506 HydrophobicContact CB-CB 4.01Å; L501-H506 HydrophobicContact CD2-CB 4.17Å; L501-R507 HydrophobicContact CB-CB 4.46Å; L501-R507 HydrophobicContact CD1-CB 4.03Å; L501-R507 HydrophobicContact CD1-CG 4.12Å; L501-Y510 HydrophobicContact CD2-CD1 4.37Å; L501-Y510 HydrophobicContact CD2-CG 4.07Å | ||
| 502 | P | 86.6 | Confident | 74.6 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -61.8 | -43.5 | -178.4 | -25.5 | 35.6 | 0 | 0 | 0 | 112.8 | F408 E411 Y412 P425 | F408-P502 HydrophobicContact CD2-CG 3.91Å; F408-P502 HydrophobicContact CE1-CB 4.44Å; F408-P502 HydrophobicContact CE2-CB 4.39Å; F408-P502 HydrophobicContact CE2-CG 3.91Å; F408-P502 HydrophobicContact CG-CG 4.33Å; F408-P502 HydrophobicContact CZ-CB 4.31Å; F408-P502 HydrophobicContact CZ-CG 4.32Å; E411-P502 HydrophobicContact CB-CB 4.19Å; E411-P502 HydrophobicContact CB-CG 3.98Å; Y412-P502 WeakPolarHBondContact CD2-O 3.45Å; Y412-P502 WeakPolarHBondContact CE2-O 3.24Å; P425-P502 HydrophobicContact CG-CG 4.17Å; P425-P502 WeakPolarHBondContact O-CD 3.34Å |
| 503 | T | 82 | Confident | 75.3 | Confident | 31 Ų | 31 | 38.1 Ų | 38.1 | 19% | 0.19 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -139.7 | 163 | -178.2 | 69.6 | 0 | 0 | 0 | 0 | 111.8 | Y412 L501 F505 H506 R507 | Y412-T503 HydrophobicContact CD2-CG2 4.45Å; Y412-T503 HydrophobicContact CG-CG2 4.48Å; L501-T503 PolarHBondContact O-N 2.96Å; T503-F505 PolarHBondContact O-N 2.94Å; T503-H506 WeakPolarHBondContact O-CB 3.16Å; T503-H506 PolarHBondContact O-N 2.81Å; T503-H506 PolarHBondContact OG1-N 2.82Å; T503-H506 PolarHBondContact OG1-ND1 3.07Å; T503-R507 PolarHBondContact O-N 2.92Å; T503-R507 VanDerWaalsContact O-N 3.09Å |
| 504 | D | 80 | Confident | 76 | Confident | 41 Ų | 41 | 36 Ų | 36 | 22% | 0.219 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -53.6 | -40.6 | 172.2 | -179.8 | 90.5 | 0 | 0 | 0 | 111.5 | E483 H506 R507 Q508 | E483-D504 HydrophobicContact CB-CB 4.34Å; E483-D504 HydrophobicContact CG-CB 4.25Å; D504-H506 PolarHBondContact O-N 2.81Å; D504-R507 VanDerWaalsContact CG-NH2 3.32Å; D504-R507 CarbonylContact O-C 3.53Å; D504-R507 WeakPolarHBondContact O-CB 3.48Å; D504-R507 PolarHBondContact O-N 3.38Å; D504-R507 VanDerWaalsContact O-N 3.11Å; D504-R507 IonicContact OD1-CZ 2.68Å; D504-R507 IonicContact OD1-NH1 2.91Å; D504-R507 PolarHBondContact OD1-NH1 3.13Å; D504-R507 IonicContact OD1-NH2 3.4Å; D504-R507 PolarHBondContact OD1-NH2 3.06Å; D504-R507 IonicContact OD2-NH2 3.59Å; D504-R507 PolarHBondContact OD2-NH2 3.25Å; D504-Q508 WeakPolarHBondContact O-CG 3.48Å; D504-Q508 PolarHBondContact O-N 2.86Å; D504-Q508 PolarHBondContact OD2-NE2 2.7Å |
| 505 | F | 78.9 | Confident | 76.7 | Confident | 82 Ų | 82 | 32.5 Ų | 32.5 | 36% | 0.36 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -57.4 | -44.4 | 175 | 177.9 | -95.8 | 0 | 0 | 0 | 112.8 | P417 T503 Q508 R509 | P417-F505 HydrophobicContact CB-CE1 4.09Å; P417-F505 HydrophobicContact CB-CE2 4.15Å; P417-F505 HydrophobicContact CB-CZ 3.52Å; P417-F505 HydrophobicContact CG-CE1 4.34Å; P417-F505 HydrophobicContact CG-CE2 3.89Å; P417-F505 HydrophobicContact CG-CZ 3.73Å; T503-F505 PolarHBondContact O-N 2.94Å; F505-Q508 PolarHBondContact O-N 2.83Å; F505-R509 WeakPolarHBondContact O-CB 3.41Å; F505-R509 PolarHBondContact O-N 3.02Å |
| 506 | H | 81.8 | Confident | 76.9 | Confident | 15 Ų | 15 | 32.2 Ų | 32.2 | 7% | 0.069 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.3 | -42.2 | 175.4 | -72.4 | 95.1 | 0 | 0 | 0 | 111.4 | E411 L501 T503 D504 R509 Y510 | E411-H506 PolarHBondContact O-CE1 3.33Å; E411-H506 IonicContact OE2-CE1 3.34Å; E411-H506 IonicContact OE2-NE2 3.32Å; L501-H506 HydrophobicContact CB-CB 4.01Å; L501-H506 HydrophobicContact CD2-CB 4.17Å; T503-H506 WeakPolarHBondContact O-CB 3.16Å; T503-H506 PolarHBondContact O-N 2.81Å; T503-H506 PolarHBondContact OG1-N 2.82Å; T503-H506 PolarHBondContact OG1-ND1 3.07Å; D504-H506 PolarHBondContact O-N 2.81Å; H506-R509 PolarHBondContact O-N 3.1Å; H506-Y510 WeakPolarHBondContact O-CB 3.41Å; H506-Y510 PolarHBondContact O-N 3.13Å |
| 507 | R | 85.2 | Confident | 76.4 | Confident | 33 Ų | 33 | 33.5 Ų | 33.5 | 13% | 0.125 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.9 | -49.5 | 174.5 | -173.5 | -139.4 | 60 | -141.9 | -12.4 | 111.5 | E483 T485 V486 L501 T503 D504 R509 Y510 C511 | E483-R507 WeakPolarHBondContact O-CD 3.39Å; E483-R507 VanDerWaalsContact O-CZ 3.28Å; E483-R507 PolarHBondContact O-NH1 3.38Å; T485-R507 WeakPolarHBondContact O-CD 3.42Å; V486-R507 HydrophobicContact CB-CG 4.09Å; V486-R507 HydrophobicContact CG2-CG 3.99Å; L501-R507 HydrophobicContact CB-CB 4.46Å; L501-R507 HydrophobicContact CD1-CB 4.03Å; L501-R507 HydrophobicContact CD1-CG 4.12Å; T503-R507 PolarHBondContact O-N 2.92Å; T503-R507 VanDerWaalsContact O-N 3.09Å; D504-R507 VanDerWaalsContact CG-NH2 3.32Å; D504-R507 CarbonylContact O-C 3.53Å; D504-R507 WeakPolarHBondContact O-CB 3.48Å; D504-R507 PolarHBondContact O-N 3.38Å; D504-R507 VanDerWaalsContact O-N 3.11Å; D504-R507 IonicContact OD1-CZ 2.68Å; D504-R507 IonicContact OD1-NH1 2.91Å; D504-R507 PolarHBondContact OD1-NH1 3.13Å; D504-R507 IonicContact OD1-NH2 3.4Å; D504-R507 PolarHBondContact OD1-NH2 3.06Å; D504-R507 IonicContact OD2-NH2 3.59Å; D504-R507 PolarHBondContact OD2-NH2 3.25Å; R507-R509 VanDerWaalsContact C-N 3.32Å; R507-R509 PolarHBondContact O-N 2.98Å; R507-Y510 PolarHBondContact O-N 3.4Å; R507-C511 WeakPolarHBondContact O-CB 3.27Å; R507-C511 PolarHBondContact O-N 3.01Å; R507-C511 PolarHBondContact O-SG 2.8Å; R507-C511 VanDerWaalsContact O-SG 3.34Å |
| 508 | Q | 77.3 | Confident | 75.2 | Confident | 95 Ų | 95 | 36.2 Ų | 36.2 | 44% | 0.444 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -54.6 | -49 | 175.8 | -69.1 | -173.9 | 18.8 | 0 | 0 | 111.3 | D504 F505 C511 T512 | D504-Q508 WeakPolarHBondContact O-CG 3.48Å; D504-Q508 PolarHBondContact O-N 2.86Å; D504-Q508 PolarHBondContact OD2-NE2 2.7Å; F505-Q508 PolarHBondContact O-N 2.83Å; Q508-C511 WeakPolarHBondContact O-CB 3.48Å; Q508-C511 PolarHBondContact O-N 2.69Å; Q508-T512 WeakPolarHBondContact O-CB 3.34Å; Q508-T512 PolarHBondContact O-N 2.84Å; Q508-T512 PolarHBondContact O-OG1 2.7Å; Q508-T512 VanDerWaalsContact O-OG1 3.04Å |
| 509 | R | 75.7 | Confident | 73.2 | Confident | 55 Ų | 55 | 44.2 Ų | 44.2 | 21% | 0.208 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.9 | -42.3 | -178.1 | -175.8 | 168.3 | 165.7 | 76 | 13.5 | 112.6 | T419 F505 H506 R507 T512 I513 | T419-R509 PolarHBondContact O-NH2 3.4Å; F505-R509 WeakPolarHBondContact O-CB 3.41Å; F505-R509 PolarHBondContact O-N 3.02Å; H506-R509 PolarHBondContact O-N 3.1Å; R507-R509 VanDerWaalsContact C-N 3.32Å; R507-R509 PolarHBondContact O-N 2.98Å; R509-T512 PolarHBondContact O-N 2.98Å; R509-I513 HydrophobicContact CG-CD1 4.05Å; R509-I513 VanDerWaalsContact O-CG1 3.3Å; R509-I513 WeakPolarHBondContact O-CG1 3.4Å; R509-I513 PolarHBondContact O-N 3.45Å |
| 510 | Y | 73.6 | Confident | 70.8 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.1 | -48.6 | 174.3 | -179.1 | -111.5 | 0 | 0 | 0 | 111.5 | F424 V440 I476 V486 L499 L501 H506 R507 T512 I513 I514 | F424-Y510 HydrophobicContact CD2-CD2 4.04Å; F424-Y510 HydrophobicContact CE2-CD2 4.14Å; V440-Y510 HydrophobicContact CB-CE2 4.34Å; V440-Y510 HydrophobicContact CG1-CD2 3.93Å; V440-Y510 HydrophobicContact CG1-CE2 3.33Å; V440-Y510 HydrophobicContact CG2-CE2 4.04Å; V440-Y510 WeakPolarHBondContact CG2-OH 3.31Å; I476-Y510 HydrophobicContact CD1-CD1 4.04Å; I476-Y510 HydrophobicContact CD1-CE1 3.74Å; V486-Y510 HydrophobicContact CG1-CD1 4.02Å; V486-Y510 HydrophobicContact CG1-CE1 3.85Å; L499-Y510 HydrophobicContact CD1-CE1 4.13Å; L501-Y510 HydrophobicContact CD2-CD1 4.37Å; L501-Y510 HydrophobicContact CD2-CG 4.07Å; H506-Y510 WeakPolarHBondContact O-CB 3.41Å; H506-Y510 PolarHBondContact O-N 3.13Å; R507-Y510 PolarHBondContact O-N 3.4Å; Y510-T512 PolarHBondContact O-N 2.87Å; Y510-I513 PolarHBondContact O-N 2.81Å; Y510-I514 HydrophobicContact CD1-CD1 3.92Å; Y510-I514 HydrophobicContact CD2-CD1 3.98Å; Y510-I514 HydrophobicContact CE1-CD1 3.5Å; Y510-I514 VanDerWaalsContact CE1-CD1 3.5Å; Y510-I514 HydrophobicContact CE2-CD1 3.54Å; Y510-I514 HydrophobicContact CE2-CG1 4.45Å; Y510-I514 HydrophobicContact CG-CD1 4.15Å; Y510-I514 VanDerWaalsContact O-CG1 3.31Å; Y510-I514 WeakPolarHBondContact O-CG1 3.31Å; Y510-I514 PolarHBondContact O-N 3.33Å |
| 511 | C | 72.3 | Confident | 68.8 | Low | 21 Ų | 21 | 50.8 Ų | 50.8 | 14% | 0.142 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -53.3 | -52.5 | 172.5 | -72.3 | 0 | 0 | 0 | 0 | 111.7 | I476 V486 R507 Q508 I513 I514 V515 | I476-C511 HydrophobicContact CG2-CB 4.49Å; V486-C511 WeakPolarHBondContact CG2-SG 3.44Å; R507-C511 WeakPolarHBondContact O-CB 3.27Å; R507-C511 PolarHBondContact O-N 3.01Å; R507-C511 PolarHBondContact O-SG 2.8Å; R507-C511 VanDerWaalsContact O-SG 3.34Å; Q508-C511 WeakPolarHBondContact O-CB 3.48Å; Q508-C511 PolarHBondContact O-N 2.69Å; C511-I513 PolarHBondContact O-N 2.99Å; C511-I514 PolarHBondContact O-N 3.39Å; C511-V515 VanDerWaalsContact O-CB 3.25Å; C511-V515 WeakPolarHBondContact O-CB 3.46Å; C511-V515 WeakPolarHBondContact O-CG2 3.4Å; C511-V515 PolarHBondContact O-N 3.11Å |
| 512 | T | 69.7 | Low | 66.6 | Low | 71 Ų | 71 | 55.7 Ų | 55.7 | 44% | 0.436 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.4 | -44.8 | -177.6 | -64.5 | 0 | 0 | 0 | 0 | 112.3 | Q508 R509 Y510 I514 V515 V516 | Q508-T512 WeakPolarHBondContact O-CB 3.34Å; Q508-T512 PolarHBondContact O-N 2.84Å; Q508-T512 PolarHBondContact O-OG1 2.7Å; Q508-T512 VanDerWaalsContact O-OG1 3.04Å; R509-T512 PolarHBondContact O-N 2.98Å; Y510-T512 PolarHBondContact O-N 2.87Å; T512-I514 VanDerWaalsContact C-N 3.3Å; T512-I514 PolarHBondContact O-N 2.94Å; T512-V515 PolarHBondContact O-N 2.89Å; T512-V516 HydrophobicContact CG2-CG2 4.17Å; T512-V516 VanDerWaalsContact O-CB 3.3Å; T512-V516 WeakPolarHBondContact O-CB 3.32Å; T512-V516 WeakPolarHBondContact O-CG2 3.45Å; T512-V516 PolarHBondContact O-N 2.78Å |
| 513 | I | 68.2 | Low | 64.4 | Low | 25 Ų | 25 | 58.3 Ų | 58.3 | 13% | 0.128 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.4 | -42.9 | 178.5 | -69.2 | 164.5 | 0 | 0 | 0 | 110.9 | F424 V442 R509 Y510 C511 R517 | F424-I513 HydrophobicContact CE2-CD1 4.35Å; F424-I513 HydrophobicContact CZ-CD1 3.97Å; V442-I513 HydrophobicContact CB-CG2 4.1Å; V442-I513 HydrophobicContact CG1-CG2 3.86Å; V442-I513 HydrophobicContact CG2-CG2 3.87Å; R509-I513 HydrophobicContact CG-CD1 4.05Å; R509-I513 VanDerWaalsContact O-CG1 3.3Å; R509-I513 WeakPolarHBondContact O-CG1 3.4Å; R509-I513 PolarHBondContact O-N 3.45Å; Y510-I513 PolarHBondContact O-N 2.81Å; C511-I513 PolarHBondContact O-N 2.99Å; I513-R517 VanDerWaalsContact O-CB 3.29Å; I513-R517 WeakPolarHBondContact O-CB 3.18Å; I513-R517 WeakPolarHBondContact O-CG 3.35Å; I513-R517 PolarHBondContact O-N 2.82Å |
| 514 | I | 65.5 | Low | 62.5 | Low | 8 Ų | 8 | 57.4 Ų | 57.4 | 4% | 0.041 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -71.7 | -46.4 | -178.1 | -62.8 | 175.5 | 0 | 0 | 0 | 111 | I449 I473 I476 Y510 C511 T512 V516 R517 R518 | I449-I514 HydrophobicContact CD1-CD1 3.34Å; I449-I514 HydrophobicContact CD1-CG1 3.54Å; I449-I514 HydrophobicContact CD1-CG2 4.33Å; I473-I514 HydrophobicContact CD1-CG2 4.25Å; I473-I514 HydrophobicContact CG2-CG2 4.23Å; I476-I514 HydrophobicContact CD1-CB 4.46Å; I476-I514 HydrophobicContact CD1-CD1 3.45Å; I476-I514 VanDerWaalsContact CD1-CD1 3.45Å; I476-I514 HydrophobicContact CD1-CG2 4.43Å; Y510-I514 HydrophobicContact CD1-CD1 3.92Å; Y510-I514 HydrophobicContact CD2-CD1 3.98Å; Y510-I514 HydrophobicContact CE1-CD1 3.5Å; Y510-I514 VanDerWaalsContact CE1-CD1 3.5Å; Y510-I514 HydrophobicContact CE2-CD1 3.54Å; Y510-I514 HydrophobicContact CE2-CG1 4.45Å; Y510-I514 HydrophobicContact CG-CD1 4.15Å; Y510-I514 VanDerWaalsContact O-CG1 3.31Å; Y510-I514 WeakPolarHBondContact O-CG1 3.31Å; Y510-I514 PolarHBondContact O-N 3.33Å; C511-I514 PolarHBondContact O-N 3.39Å; T512-I514 VanDerWaalsContact C-N 3.3Å; T512-I514 PolarHBondContact O-N 2.94Å; I514-V516 PolarHBondContact O-N 3.37Å; I514-R517 PolarHBondContact O-N 3.34Å; I514-R518 WeakPolarHBondContact O-CB 3.24Å; I514-R518 PolarHBondContact O-N 3.41Å |
| 515 | V | 60.7 | Low | 60.8 | Low | 28 Ų | 28 | 58.5 Ų | 58.5 | 17% | 0.17 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.6 | -48.4 | 176.8 | 161.9 | 0 | 0 | 0 | 0 | 111.1 | I476 C511 T512 R518 L521 | I476-V515 HydrophobicContact CG2-CG2 4.38Å; C511-V515 VanDerWaalsContact O-CB 3.25Å; C511-V515 WeakPolarHBondContact O-CB 3.46Å; C511-V515 WeakPolarHBondContact O-CG2 3.4Å; C511-V515 PolarHBondContact O-N 3.11Å; T512-V515 PolarHBondContact O-N 2.89Å; V515-R518 PolarHBondContact O-N 3.47Å; V515-L521 HydrophobicContact CB-CD2 4.3Å; V515-L521 HydrophobicContact CG1-CB 3.61Å; V515-L521 HydrophobicContact CG1-CD2 3.44Å; V515-L521 VanDerWaalsContact CG1-CD2 3.44Å; V515-L521 HydrophobicContact CG1-CG 4.15Å; V515-L521 HydrophobicContact CG2-CD2 3.9Å |
| 516 | V | 56.2 | Low | 59.2 | Low | 87 Ų | 87 | 62.7 Ų | 62.7 | 53% | 0.527 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.6 | -44.7 | 177.7 | 170.5 | 0 | 0 | 0 | 0 | 111 | T512 I514 R518 K519 | T512-V516 HydrophobicContact CG2-CG2 4.17Å; T512-V516 VanDerWaalsContact O-CB 3.3Å; T512-V516 WeakPolarHBondContact O-CB 3.32Å; T512-V516 WeakPolarHBondContact O-CG2 3.45Å; T512-V516 PolarHBondContact O-N 2.78Å; I514-V516 PolarHBondContact O-N 3.37Å; V516-R518 VanDerWaalsContact C-N 3.27Å; V516-R518 PolarHBondContact O-N 2.87Å; V516-K519 PolarHBondContact O-N 3.34Å |
| 517 | R | 58 | Low | 57.5 | Low | 66 Ų | 66 | 62.7 Ų | 62.7 | 25% | 0.249 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.3 | -19.7 | -179.3 | -80.4 | -175.5 | 155.6 | 123.3 | 14.3 | 114.7 | E444 N447 I513 I514 K519 | E444-R517 IonicContact OE1-CZ 3.98Å; E444-R517 IonicContact OE1-NH1 3.36Å; E444-R517 PolarHBondContact OE1-NH1 3.02Å; E444-R517 IonicContact OE1-NH2 3.87Å; E444-R517 PolarHBondContact OE1-NH2 2.97Å; N447-R517 PolarHBondContact ND2-O 3.39Å; N447-R517 WeakPolarHBondContact OD1-CD 3.46Å; I513-R517 VanDerWaalsContact O-CB 3.29Å; I513-R517 WeakPolarHBondContact O-CB 3.18Å; I513-R517 WeakPolarHBondContact O-CG 3.35Å; I513-R517 PolarHBondContact O-N 2.82Å; I514-R517 PolarHBondContact O-N 3.34Å; R517-K519 VanDerWaalsContact C-N 3.27Å; R517-K519 PolarHBondContact O-N 2.95Å |
| 518 | R | 53.7 | Low | 55.5 | Low | 74 Ų | 74 | 66.9 Ų | 66.9 | 28% | 0.279 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 2.8 | 178.4 | -152.3 | 171.5 | 176.2 | -137 | -5.5 | 114.1 | I473 R474 I514 V515 V516 L520 | I473-R518 PolarHBondContact O-NE 3.34Å; I473-R518 PolarHBondContact O-NH2 3.05Å; R474-R518 VanDerWaalsContact C-NH2 3.28Å; R474-R518 VanDerWaalsContact O-CZ 3.29Å; R474-R518 PolarHBondContact O-NH1 3.39Å; R474-R518 PolarHBondContact O-NH2 3.2Å; I514-R518 WeakPolarHBondContact O-CB 3.24Å; I514-R518 PolarHBondContact O-N 3.41Å; V515-R518 PolarHBondContact O-N 3.47Å; V516-R518 VanDerWaalsContact C-N 3.27Å; V516-R518 PolarHBondContact O-N 2.87Å; R518-L520 WeakPolarHBondContact O-CB 3.36Å; R518-L520 PolarHBondContact O-N 2.91Å |
| 519 | K | 43.8 | Very low | 54.1 | Low | 189 Ų | 189 | 66.8 Ų | 66.8 | 82% | 0.822 | 32% | 0.323 | S | S | * | . | S | Bend | trans | 58.9 | -5.6 | 179.9 | -91.2 | -173.6 | 171.9 | -175 | 0 | 117 | V516 R517 | V516-K519 PolarHBondContact O-N 3.34Å; R517-K519 VanDerWaalsContact C-N 3.27Å; R517-K519 PolarHBondContact O-N 2.95Å |
| 520 | L | 37.9 | Very low | 52.6 | Low | 112 Ų | 112 | 64.9 Ų | 64.9 | 59% | 0.586 | 32% | 0.316 | S | S | * | . | trans | -127.3 | 59.8 | -160.6 | -157.1 | 158.7 | 0 | 0 | 0 | 110.5 | R518 | R518-L520 WeakPolarHBondContact O-CB 3.36Å; R518-L520 PolarHBondContact O-N 2.91Å | ||
| 521 | L | 46.8 | Very low | 51.1 | Low | 34 Ų | 34 | 66.9 Ų | 66.9 | 18% | 0.178 | 33% | 0.333 | C | S | . | . | trans | -163.1 | 30.8 | 172.6 | -135.2 | 73 | 0 | 0 | 0 | 118.6 | V515 C523 C524 L525 Q609 | V515-L521 HydrophobicContact CB-CD2 4.3Å; V515-L521 HydrophobicContact CG1-CB 3.61Å; V515-L521 HydrophobicContact CG1-CD2 3.44Å; V515-L521 VanDerWaalsContact CG1-CD2 3.44Å; V515-L521 HydrophobicContact CG1-CG 4.15Å; V515-L521 HydrophobicContact CG2-CD2 3.9Å; L521-C523 PolarHBondContact O-N 3.35Å; L521-C524 HydrophobicContact CD1-CB 4.1Å; L521-C524 VanDerWaalsContact CD1-SG 3.53Å; L521-C524 HydrophobicContact CD2-CB 3.6Å; L521-C524 HydrophobicContact CG-CB 3.57Å; L521-C524 PolarHBondContact O-N 3.21Å; L521-L525 PolarHBondContact O-N 3.2Å; L521-L525 VanDerWaalsContact O-N 3.13Å; L521-Q609 HydrophobicContact CD1-CG 4.38Å | ||
| 522 | K | 44.9 | Very low | 49.6 | Very low | 102 Ų | 102 | 69 Ų | 69 | 44% | 0.443 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.6 | -30.1 | 171.1 | -88.9 | -152.2 | 167.8 | -169.2 | 0 | 113.4 | R526 D546 Y547 | K522-R526 PolarHBondContact O-N 2.7Å; K522-D546 PolarHBondContact NZ-O 3.34Å; K522-Y547 WeakPolarHBondContact CD-O 3.24Å; K522-Y547 VanDerWaalsContact CE-CB 3.42Å; K522-Y547 VanDerWaalsContact NZ-CB 3.3Å; K522-Y547 PolarHBondContact NZ-O 3.06Å |
| 523 | C | 40.3 | Very low | 48.3 | Very low | 55 Ų | 55 | 71.4 Ų | 71.4 | 37% | 0.372 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.5 | -55 | 173 | -64.2 | 0 | 0 | 0 | 0 | 112 | L521 L525 R526 F527 | L521-C523 PolarHBondContact O-N 3.35Å; C523-L525 VanDerWaalsContact C-N 3.33Å; C523-L525 PolarHBondContact O-N 3Å; C523-R526 PolarHBondContact O-N 3.4Å; C523-R526 VanDerWaalsContact O-N 3.11Å; C523-F527 HydrophobicContact CB-CE2 4.4Å; C523-F527 WeakPolarHBondContact O-CD2 3.39Å; C523-F527 PolarHBondContact O-N 2.93Å |
| 524 | C | 41.6 | Very low | 47 | Very low | 12 Ų | 12 | 75.6 Ų | 75.6 | 8% | 0.081 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -73.7 | -21.4 | -175.8 | -43.9 | 0 | 0 | 0 | 0 | 114 | L521 R526 F527 L528 | L521-C524 HydrophobicContact CD1-CB 4.1Å; L521-C524 VanDerWaalsContact CD1-SG 3.53Å; L521-C524 HydrophobicContact CD2-CB 3.6Å; L521-C524 HydrophobicContact CG-CB 3.57Å; L521-C524 PolarHBondContact O-N 3.21Å; C524-R526 VanDerWaalsContact C-N 3.32Å; C524-F527 PolarHBondContact O-N 2.98Å; C524-L528 WeakPolarHBondContact O-CG 3.5Å; C524-L528 PolarHBondContact O-N 3.07Å |
| 525 | L | 44.8 | Very low | 45.6 | Very low | 65 Ų | 65 | 80.1 Ų | 80.1 | 34% | 0.34 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60 | -45.4 | 167.3 | -77 | 169.8 | 0 | 0 | 0 | 110.6 | L521 C523 F527 L528 E529 | L521-L525 PolarHBondContact O-N 3.2Å; L521-L525 VanDerWaalsContact O-N 3.13Å; C523-L525 VanDerWaalsContact C-N 3.33Å; C523-L525 PolarHBondContact O-N 3Å; L525-F527 PolarHBondContact O-N 3.31Å; L525-L528 PolarHBondContact O-N 3.44Å; L525-E529 PolarHBondContact O-N 3.11Å; L525-E529 VanDerWaalsContact O-N 3.13Å |
| 526 | R | 45.9 | Very low | 44.1 | Very low | 169 Ų | 169 | 83 Ų | 83 | 64% | 0.638 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -68 | -32.7 | 174.6 | -163.1 | 158.7 | -177.7 | 174.5 | -1.9 | 112.8 | K522 C523 C524 E529 L530 | K522-R526 PolarHBondContact O-N 2.7Å; C523-R526 PolarHBondContact O-N 3.4Å; C523-R526 VanDerWaalsContact O-N 3.11Å; C524-R526 VanDerWaalsContact C-N 3.32Å; R526-E529 PolarHBondContact O-N 3.2Å; R526-L530 HydrophobicContact CG-CD1 3.9Å; R526-L530 WeakPolarHBondContact O-CB 3.32Å; R526-L530 WeakPolarHBondContact O-CD1 3.49Å; R526-L530 PolarHBondContact O-N 3.12Å |
| 527 | F | 45.8 | Very low | 42.7 | Very low | 15 Ų | 15 | 85.4 Ų | 85.4 | 7% | 0.066 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 172.1 | -76.7 | -141.9 | 0 | 0 | 0 | 112.3 | C523 C524 L525 L530 A531 V601 L604 V605 I608 V627 F634 | C523-F527 HydrophobicContact CB-CE2 4.4Å; C523-F527 WeakPolarHBondContact O-CD2 3.39Å; C523-F527 PolarHBondContact O-N 2.93Å; C524-F527 PolarHBondContact O-N 2.98Å; L525-F527 PolarHBondContact O-N 3.31Å; F527-L530 WeakPolarHBondContact O-CB 3.22Å; F527-L530 PolarHBondContact O-N 3.27Å; F527-A531 PolarHBondContact O-N 3.16Å; F527-V601 HydrophobicContact CD1-CG1 3.71Å; F527-V601 HydrophobicContact CE1-CG1 4.39Å; F527-L604 HydrophobicContact CE1-CD2 4.38Å; F527-V605 HydrophobicContact CD1-CG2 3.42Å; F527-V605 VanDerWaalsContact CD1-CG2 3.42Å; F527-V605 HydrophobicContact CE1-CG2 3.6Å; F527-V605 HydrophobicContact CG-CG2 4.44Å; F527-I608 HydrophobicContact CZ-CD1 4.22Å; F527-V627 HydrophobicContact CD2-CG2 4.23Å; F527-V627 HydrophobicContact CE2-CG2 3.71Å; F527-V627 HydrophobicContact CZ-CG2 4.31Å; F527-F634 HydrophobicContact CD1-CD1 4.37Å; F527-F634 AromaticContact CD1-CE1 3.63Å; F527-F634 HydrophobicContact CD1-CE1 3.63Å; F527-F634 HydrophobicContact CD1-CZ 4.23Å; F527-F634 AromaticContact CD2-CE1 4Å; F527-F634 HydrophobicContact CD2-CE1 4Å; F527-F634 AromaticContact CE1-CD1 3.52Å; F527-F634 HydrophobicContact CE1-CD1 3.52Å; F527-F634 AromaticContact CE1-CE1 3.22Å; F527-F634 HydrophobicContact CE1-CE1 3.22Å; F527-F634 HydrophobicContact CE1-CZ 4.14Å; F527-F634 HydrophobicContact CE2-CD1 4.02Å; F527-F634 AromaticContact CE2-CE1 3.64Å; F527-F634 HydrophobicContact CE2-CE1 3.64Å; F527-F634 HydrophobicContact CG-CE1 4.03Å; F527-F634 AromaticContact CZ-CD1 3.33Å; F527-F634 HydrophobicContact CZ-CD1 3.33Å; F527-F634 AromaticContact CZ-CE1 3.26Å; F527-F634 HydrophobicContact CZ-CE1 3.26Å; F527-F634 HydrophobicContact CZ-CZ 4.49Å |
| 528 | L | 43.2 | Very low | 41.3 | Very low | 121 Ų | 121 | 88.9 Ų | 88.9 | 63% | 0.634 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -68.4 | -37.5 | 177.8 | -73.8 | 166.1 | 0 | 0 | 0 | 111.5 | C524 L525 S532 | C524-L528 WeakPolarHBondContact O-CG 3.5Å; C524-L528 PolarHBondContact O-N 3.07Å; L525-L528 PolarHBondContact O-N 3.44Å; L528-S532 PolarHBondContact O-N 3.29Å |
| 529 | E | 48.2 | Very low | 40.1 | Very low | 93 Ų | 93 | 95 Ų | 95 | 44% | 0.435 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 169.8 | -68.2 | 177.2 | 147.1 | 0 | 0 | 112.3 | L525 R526 S532 Q533 | L525-E529 PolarHBondContact O-N 3.11Å; L525-E529 VanDerWaalsContact O-N 3.13Å; R526-E529 PolarHBondContact O-N 3.2Å; E529-S532 PolarHBondContact O-N 3.32Å; E529-S532 PolarHBondContact O-OG 2.93Å; E529-Q533 WeakPolarHBondContact O-CG 3.38Å; E529-Q533 PolarHBondContact O-N 3.49Å; E529-Q533 VanDerWaalsContact O-N 3.12Å |
| 530 | L | 43.5 | Very low | 39.2 | Very low | 15 Ų | 15 | 89.2 Ų | 89.2 | 8% | 0.079 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -59.9 | -46.5 | 174.8 | -102.2 | 75.8 | 0 | 0 | 0 | 111.9 | R526 F527 S532 Q533 V534 V627 Q631 | R526-L530 HydrophobicContact CG-CD1 3.9Å; R526-L530 WeakPolarHBondContact O-CB 3.32Å; R526-L530 WeakPolarHBondContact O-CD1 3.49Å; R526-L530 PolarHBondContact O-N 3.12Å; F527-L530 WeakPolarHBondContact O-CB 3.22Å; F527-L530 PolarHBondContact O-N 3.27Å; L530-S532 PolarHBondContact O-N 3.43Å; L530-Q533 PolarHBondContact O-N 2.8Å; L530-Q533 VanDerWaalsContact O-N 3.17Å; L530-V534 WeakPolarHBondContact O-CG2 3.39Å; L530-V534 PolarHBondContact O-N 2.82Å; L530-V627 HydrophobicContact CD2-CG1 4Å; L530-Q631 HydrophobicContact CD2-CB 3.69Å; L530-Q631 HydrophobicContact CD2-CG 3.79Å; L530-Q631 HydrophobicContact CG-CB 4.29Å; L530-Q631 HydrophobicContact CG-CG 4.1Å |
| 531 | A | 41.7 | Very low | 38.6 | Very low | 42 Ų | 42 | 90.2 Ų | 90.2 | 35% | 0.347 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63 | -29.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F527 T535 | F527-A531 PolarHBondContact O-N 3.16Å; A531-T535 PolarHBondContact O-OG1 3.42Å |
| 532 | S | 40.5 | Very low | 37.6 | Very low | 67 Ų | 67 | 98.6 Ų | 98.6 | 47% | 0.469 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -76.7 | -38.9 | 173.3 | 70.8 | 0 | 0 | 0 | 0 | 112.4 | L528 E529 L530 V534 T535 | L528-S532 PolarHBondContact O-N 3.29Å; E529-S532 PolarHBondContact O-N 3.32Å; E529-S532 PolarHBondContact O-OG 2.93Å; L530-S532 PolarHBondContact O-N 3.43Å; S532-V534 VanDerWaalsContact C-N 3.31Å; S532-V534 PolarHBondContact O-N 3.11Å; S532-T535 PolarHBondContact O-N 2.87Å; S532-T535 VanDerWaalsContact O-N 3.16Å; S532-T535 PolarHBondContact O-OG1 3.29Å |
| 533 | Q | 42.5 | Very low | 36.7 | Very low | 121 Ų | 121 | 100 Ų | 100 | 57% | 0.565 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.6 | -30.5 | -179.8 | -73.4 | 176.3 | 12.1 | 0 | 0 | 113.7 | E529 L530 T535 | E529-Q533 WeakPolarHBondContact O-CG 3.38Å; E529-Q533 PolarHBondContact O-N 3.49Å; E529-Q533 VanDerWaalsContact O-N 3.12Å; L530-Q533 PolarHBondContact O-N 2.8Å; L530-Q533 VanDerWaalsContact O-N 3.17Å; Q533-T535 PolarHBondContact O-N 3.24Å |
| 534 | V | 41.6 | Very low | 36.1 | Very low | 113 Ų | 113 | 104.8 Ų | 104.8 | 69% | 0.685 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -11.2 | 177.8 | 176.4 | 0 | 0 | 0 | 0 | 113 | L530 S532 | L530-V534 WeakPolarHBondContact O-CG2 3.39Å; L530-V534 PolarHBondContact O-N 2.82Å; S532-V534 VanDerWaalsContact C-N 3.31Å; S532-V534 PolarHBondContact O-N 3.11Å |
| 535 | T | 35.5 | Very low | 35.3 | Very low | 102 Ų | 102 | 107.1 Ų | 107.1 | 63% | 0.626 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.8 | -5.3 | -169.5 | 57.4 | 0 | 0 | 0 | 0 | 117.5 | A531 S532 Q533 | A531-T535 PolarHBondContact O-OG1 3.42Å; S532-T535 PolarHBondContact O-N 2.87Å; S532-T535 VanDerWaalsContact O-N 3.16Å; S532-T535 PolarHBondContact O-OG1 3.29Å; Q533-T535 PolarHBondContact O-N 3.24Å |
| 536 | S | 29.3 | Very low | 34.3 | Very low | 89 Ų | 89 | 111 Ų | 111 | 62% | 0.622 | 63% | 0.626 | S | S | * | * | trans | -160.1 | 129.8 | 170.2 | 54.1 | 0 | 0 | 0 | 0 | 115.7 | T538 | S536-T538 PolarHBondContact O-N 3.36Š| ||
| 537 | T | 27.8 | Very low | 33.5 | Very low | 138 Ų | 138 | 110.5 Ų | 110.5 | 85% | 0.847 | 63% | 0.625 | S | S | * | * | trans | -75.2 | 100.7 | 164.5 | 47.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 538 | T | 27.5 | Very low | 32.7 | Very low | 139 Ų | 139 | 115.6 Ų | 115.6 | 85% | 0.853 | 66% | 0.658 | S | S | * | * | trans | -171.4 | 155.8 | 140.1 | 9.4 | 0 | 0 | 0 | 0 | 110.8 | S536 | S536-T538 PolarHBondContact O-N 3.36Š| ||
| 539 | E | 28.7 | Very low | 32.2 | Very low | 203 Ų | 203 | 115.5 Ų | 115.5 | 95% | 0.949 | 66% | 0.658 | S | S | * | * | trans | -73.7 | 143.1 | -170.8 | -57.2 | 177.4 | 125.4 | 0 | 0 | 113.3 | ||||
| 540 | G | 25 | Very low | 32 | Very low | 67 Ų | 67 | 118.8 Ų | 118.8 | 69% | 0.691 | 68% | 0.678 | S | S | * | * | trans | 143 | 81.2 | 155.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 541 | T | 25.9 | Very low | 32.3 | Very low | 132 Ų | 132 | 126.1 Ų | 126.1 | 81% | 0.81 | 71% | 0.712 | S | S | * | * | -176.1 | 123.8 | 123.3 | 19.1 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 542 | K | 26.6 | Very low | 33.1 | Very low | 210 Ų | 210 | 129.5 Ų | 129.5 | 91% | 0.913 | 73% | 0.73 | S | S | * | * | trans | -92.8 | 114.2 | 163.2 | -76.9 | 178.7 | 176.1 | 176.8 | 0 | 108.3 | ||||
| 543 | L | 26 | Very low | 34.6 | Very low | 132 Ų | 132 | 128 Ų | 128 | 69% | 0.691 | 72% | 0.716 | S | S | * | * | trans | -141 | 137 | 166.8 | -86.5 | 174.9 | 0 | 0 | 0 | 112.7 | ||||
| 544 | L | 26.5 | Very low | 36.4 | Very low | 155 Ų | 155 | 124.9 Ų | 124.9 | 81% | 0.812 | 71% | 0.708 | S | S | * | * | trans | 70.8 | 81.4 | 163.5 | -67.9 | 152.4 | 0 | 0 | 0 | 118.2 | ||||
| 545 | G | 24.4 | Very low | 38.7 | Very low | 62 Ų | 62 | 121.4 Ų | 121.4 | 64% | 0.639 | 68% | 0.683 | S | S | * | * | trans | -69.1 | -179.8 | 156.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 546 | D | 24.8 | Very low | 41.3 | Very low | 146 Ų | 146 | 120.4 Ų | 120.4 | 78% | 0.781 | 67% | 0.671 | S | S | * | * | trans | 58.8 | 107.1 | 167.1 | -58.7 | -6.8 | 0 | 0 | 0 | 118.7 | K522 | K522-D546 PolarHBondContact NZ-O 3.34Š| ||
| 547 | Y | 29 | Very low | 44.3 | Very low | 159 Ų | 159 | 118.2 Ų | 118.2 | 62% | 0.624 | 65% | 0.65 | S | S | * | * | trans | 163.6 | 97.5 | 157.9 | -117.3 | -84.2 | 0 | 0 | 0 | 102.6 | K522 D549 | K522-Y547 WeakPolarHBondContact CD-O 3.24Å; K522-Y547 VanDerWaalsContact CE-CB 3.42Å; K522-Y547 VanDerWaalsContact NZ-CB 3.3Å; K522-Y547 PolarHBondContact NZ-O 3.06Å; Y547-D549 HydrophobicContact CD1-CB 4.46Å; Y547-D549 WeakPolarHBondContact CD1-OD2 3.42Å | ||
| 548 | T | 27.8 | Very low | 47.3 | Very low | 122 Ų | 122 | 115.8 Ų | 115.8 | 75% | 0.748 | 63% | 0.629 | S | S | * | * | trans | -125.6 | 55.8 | -170.9 | 44.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 549 | D | 34 | Very low | 50.4 | Low | 118 Ų | 118 | 114.1 Ų | 114.1 | 63% | 0.631 | 62% | 0.615 | S | S | * | * | trans | -125.6 | 10.4 | -166.2 | -57.7 | -67.5 | 0 | 0 | 0 | 113.9 | Y547 | Y547-D549 HydrophobicContact CD1-CB 4.46Å; Y547-D549 WeakPolarHBondContact CD1-OD2 3.42Å | ||
| 550 | L | 43.9 | Very low | 53.3 | Low | 163 Ų | 163 | 107.4 Ų | 107.4 | 85% | 0.853 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -109.1 | 104 | 148.3 | -73.9 | 173.9 | 0 | 0 | 0 | 105 | ||
| 551 | E | 48.7 | Very low | 56.2 | Low | 169 Ų | 169 | 113.3 Ų | 113.3 | 79% | 0.79 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 131.7 | 174.2 | -67.9 | -177.9 | 142 | 0 | 0 | 108.2 | I553 | E551-I553 PolarHBondContact O-N 3.04Š|
| 552 | P | 60.1 | Low | 59.2 | Low | 112 Ų | 112 | 112.3 Ų | 112.3 | 73% | 0.727 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 124.3 | 173.7 | 25.8 | -32.3 | 0 | 0 | 0 | 107.6 | S554 | P552-S554 PolarHBondContact O-N 3.18Š|
| 553 | I | 70.3 | Confident | 62.1 | Low | 36 Ų | 36 | 104.6 Ų | 104.6 | 19% | 0.185 | 56% | 0.562 | C | S | . | * | P | Polyproline II helix | trans | -57.6 | 117.3 | 178.5 | -63.3 | 175 | 0 | 0 | 0 | 106.8 | E551 Y555 D581 I588 L623 F637 | E551-I553 PolarHBondContact O-N 3.04Å; I553-Y555 WeakPolarHBondContact O-CD1 3.48Å; I553-Y555 PolarHBondContact O-N 3.4Å; I553-D581 HydrophobicContact CG2-CB 4.17Å; I553-I588 HydrophobicContact CG2-CD1 4.42Å; I553-L623 HydrophobicContact CD1-CB 4.2Å; I553-F637 HydrophobicContact CB-CE2 4.48Å; I553-F637 HydrophobicContact CD1-CB 3.92Å; I553-F637 HydrophobicContact CD1-CD2 3.85Å; I553-F637 HydrophobicContact CD1-CG 3.94Å |
| 554 | S | 81.7 | Confident | 65.2 | Low | 55 Ų | 55 | 102.9 Ų | 102.9 | 39% | 0.385 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -76.2 | 122.9 | 173 | -170.5 | 0 | 0 | 0 | 0 | 107.4 | P552 D581 F582 D583 | P552-S554 PolarHBondContact O-N 3.18Å; S554-D581 CarbonylContact O-C 3.55Å; S554-D581 WeakPolarHBondContact O-CA 3.34Å; S554-F582 PolarHBondContact O-N 3.47Å; S554-F582 WeakPolarHBondContact OG-CD2 3.3Å; S554-D583 WeakPolarHBondContact CB-OD2 3.33Å; S554-D583 PolarHBondContact N-OD2 3.4Å |
| 555 | Y | 88.9 | Confident | 68.3 | Low | 41 Ų | 41 | 99.6 Ų | 99.6 | 16% | 0.161 | 53% | 0.53 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 160.2 | -176 | 74.1 | -80.6 | 0 | 0 | 0 | 115.2 | I553 F557 R580 F582 I590 E626 R635 F637 | I553-Y555 WeakPolarHBondContact O-CD1 3.48Å; I553-Y555 PolarHBondContact O-N 3.4Å; Y555-F557 HydrophobicContact CE2-CD2 4.19Å; Y555-F557 AromaticContact CE2-CE2 3.75Å; Y555-F557 HydrophobicContact CE2-CE2 3.75Å; Y555-F557 AromaticContact CE2-CZ 3.95Å; Y555-F557 HydrophobicContact CE2-CZ 3.95Å; Y555-R580 CarbonylContact C-O 3.49Å; Y555-R580 WeakPolarHBondContact CA-O 3.31Å; Y555-R580 VanDerWaalsContact CB-O 3.28Å; Y555-R580 WeakPolarHBondContact CB-O 3.33Å; Y555-F582 VanDerWaalsContact C-CE2 3.4Å; Y555-F582 WeakPolarHBondContact O-CE2 3.38Å; Y555-I590 HydrophobicContact CD2-CD1 3.42Å; Y555-I590 VanDerWaalsContact CD2-CD1 3.42Å; Y555-I590 HydrophobicContact CE2-CD1 3.67Å; Y555-I590 HydrophobicContact CG-CD1 4.31Å; Y555-E626 WeakPolarHBondContact CE1-OE1 3.25Å; Y555-E626 PolarHBondContact OH-OE1 3.06Å; Y555-R635 WeakPolarHBondContact OH-CD 3.46Å; Y555-R635 VanDerWaalsContact OH-CZ 3.29Å; Y555-R635 PolarHBondContact OH-NE 2.96Å; Y555-R635 PolarHBondContact OH-NH1 3.02Å; Y555-F637 AromaticContact CD1-CE1 3.62Å; Y555-F637 HydrophobicContact CD1-CE1 3.62Å; Y555-F637 AromaticContact CD1-CZ 3.66Å; Y555-F637 HydrophobicContact CD1-CZ 3.66Å; Y555-F637 HydrophobicContact CD2-CE1 4.29Å; Y555-F637 AromaticContact CE1-CE1 3.69Å; Y555-F637 HydrophobicContact CE1-CE1 3.69Å; Y555-F637 AromaticContact CE1-CZ 3.46Å; Y555-F637 HydrophobicContact CE1-CZ 3.46Å; Y555-F637 VanDerWaalsContact CE1-CZ 3.46Å; Y555-F637 HydrophobicContact CE2-CE1 4.33Å; Y555-F637 AromaticContact CG-CE1 3.96Å; Y555-F637 HydrophobicContact CG-CE1 3.96Å; Y555-F637 HydrophobicContact CG-CZ 4.45Å |
| 556 | E | 90.2 | Very high | 71.6 | Confident | 80 Ų | 80 | 98.1 Ų | 98.1 | 37% | 0.374 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 151.6 | 167 | 55.9 | -175.3 | -178 | 0 | 0 | 111.2 | G579 R580 F582 | E556-G579 CarbonylContact O-C 3.54Å; E556-G579 WeakPolarHBondContact O-CA 3.46Å; E556-R580 HydrophobicContact CG-CB 3.88Å; E556-R580 PolarHBondContact N-O 3.22Å; E556-R580 PolarHBondContact O-N 3.04Å; E556-R580 WeakPolarHBondContact OE1-CD 3.4Å; E556-R580 IonicContact OE1-NH1 3.92Å; E556-F582 HydrophobicContact CB-CE1 4.34Å; E556-F582 HydrophobicContact CB-CE2 3.96Å; E556-F582 HydrophobicContact CB-CZ 3.6Å; E556-F582 HydrophobicContact CG-CE1 3.92Å; E556-F582 HydrophobicContact CG-CE2 4.3Å; E556-F582 HydrophobicContact CG-CZ 3.69Å; E556-F582 WeakPolarHBondContact OE2-CZ 3.34Å |
| 557 | F | 93.2 | Very high | 74.8 | Confident | 43 Ų | 43 | 94.7 Ų | 94.7 | 19% | 0.189 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 138.5 | 167.5 | -73.1 | -79.9 | 0 | 0 | 0 | 109.9 | Y555 R565 Y577 I590 E592 | Y555-F557 HydrophobicContact CE2-CD2 4.19Å; Y555-F557 AromaticContact CE2-CE2 3.75Å; Y555-F557 HydrophobicContact CE2-CE2 3.75Å; Y555-F557 AromaticContact CE2-CZ 3.95Å; Y555-F557 HydrophobicContact CE2-CZ 3.95Å; F557-R565 HydrophobicContact CB-CB 4.49Å; F557-R565 HydrophobicContact CB-CG 3.99Å; F557-R565 HydrophobicContact CD1-CG 4.4Å; F557-R565 HydrophobicContact CG-CG 4.07Å; F557-R565 VanDerWaalsContact CZ-NH1 3.35Å; F557-Y577 HydrophobicContact CD1-CG 4.27Å; F557-Y577 HydrophobicContact CE1-CD2 4.12Å; F557-Y577 HydrophobicContact CE1-CG 4.09Å; F557-I590 HydrophobicContact CD1-CD1 3.94Å; F557-I590 HydrophobicContact CE1-CB 4.16Å; F557-I590 HydrophobicContact CE1-CD1 3.76Å; F557-I590 HydrophobicContact CE1-CG2 4.01Å; F557-I590 HydrophobicContact CZ-CD1 4.35Å; F557-I590 HydrophobicContact CZ-CG2 4.28Å; F557-E592 WeakPolarHBondContact CZ-OE1 3.36Å |
| 558 | E | 90.9 | Very high | 77.6 | Confident | 87 Ų | 87 | 91.1 Ų | 91.1 | 41% | 0.407 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -71 | 130.8 | 167.5 | -174.1 | 175 | -159 | 0 | 0 | 108.6 | T566 S578 M587 | E558-T566 WeakPolarHBondContact O-CB 3.45Å; E558-T566 PolarHBondContact O-N 3.16Å; E558-T566 PolarHBondContact O-OG1 3.16Å; E558-S578 PolarHBondContact N-O 3.39Å; E558-S578 WeakPolarHBondContact OE2-CB 3.48Å; E558-S578 PolarHBondContact OE2-OG 2.98Å; E558-M587 HydrophobicContact CB-CE 4.22Å; E558-M587 HydrophobicContact CG-CE 4.44Å; E558-M587 WeakPolarHBondContact OE2-CE 3.4Å |
| 559 | L | 91.4 | Very high | 80.3 | Confident | 105 Ų | 105 | 86.7 Ų | 86.7 | 55% | 0.55 | 46% | 0.463 | S | S | . | . | B | Isolated β-bridge | trans | -102.9 | 140.8 | 178.5 | -58 | -177.7 | 0 | 0 | 0 | 110.9 | N564 R565 | L559-N564 CarbonylContact C-O 3.58Å; L559-N564 VanDerWaalsContact CA-O 3.28Å; L559-N564 WeakPolarHBondContact CA-O 3.49Å; L559-R565 HydrophobicContact CD2-CG 4.08Å |
| 560 | D | 89.3 | Confident | 82.5 | Confident | 61 Ų | 61 | 89.2 Ų | 89.2 | 33% | 0.326 | 47% | 0.468 | S | S | . | . | trans | -77.6 | 176.3 | 172.9 | 71.7 | 22 | 0 | 0 | 0 | 112.2 | D562 G563 N564 T566 | D560-D562 PolarHBondContact O-N 2.87Å; D560-D562 VanDerWaalsContact O-N 3.1Å; D560-D562 WeakPolarHBondContact OD1-CA 3.35Å; D560-D562 WeakPolarHBondContact OD1-CB 3.34Å; D560-D562 PolarHBondContact OD1-N 3.15Å; D560-G563 PolarHBondContact O-N 3.29Å; D560-G563 PolarHBondContact OD1-N 3.43Å; D560-G563 VanDerWaalsContact OD1-N 3.1Å; D560-N564 PolarHBondContact N-O 3.26Å; D560-N564 PolarHBondContact OD1-N 3.07Å; D560-T566 PolarHBondContact N-OG1 3.33Å | ||
| 561 | K | 86.3 | Confident | 83.5 | Confident | 192 Ų | 192 | 82.8 Ų | 82.8 | 84% | 0.835 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -22 | 178.8 | 64 | 177.9 | -174.1 | 173.2 | 0 | 114.4 | ||
| 562 | D | 89.7 | Confident | 84.2 | Confident | 110 Ų | 110 | 78.3 Ų | 78.3 | 59% | 0.588 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | 3.9 | -177.2 | -57.8 | -51.8 | 0 | 0 | 0 | 111 | D560 N564 | D560-D562 PolarHBondContact O-N 2.87Å; D560-D562 VanDerWaalsContact O-N 3.1Å; D560-D562 WeakPolarHBondContact OD1-CA 3.35Å; D560-D562 WeakPolarHBondContact OD1-CB 3.34Å; D560-D562 PolarHBondContact OD1-N 3.15Å; D562-N564 WeakPolarHBondContact CB-ND2 3.46Å |
| 563 | G | 86 | Confident | 84.5 | Confident | 49 Ų | 49 | 77.5 Ų | 77.5 | 51% | 0.505 | 41% | 0.411 | S | S | . | . | S | Bend | trans | 84 | 8.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | D560 | D560-G563 PolarHBondContact O-N 3.29Å; D560-G563 PolarHBondContact OD1-N 3.43Å; D560-G563 VanDerWaalsContact OD1-N 3.1Å |
| 564 | N | 91.3 | Very high | 84.8 | Confident | 96 Ų | 96 | 76.4 Ų | 76.4 | 51% | 0.513 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -92.1 | 156.8 | -178.9 | -54.1 | -77 | 0 | 0 | 0 | 111.3 | L559 D560 D562 T566 | L559-N564 CarbonylContact C-O 3.58Å; L559-N564 VanDerWaalsContact CA-O 3.28Å; L559-N564 WeakPolarHBondContact CA-O 3.49Å; D560-N564 PolarHBondContact N-O 3.26Å; D560-N564 PolarHBondContact OD1-N 3.07Å; D562-N564 WeakPolarHBondContact CB-ND2 3.46Å; N564-T566 PolarHBondContact O-N 3.28Å |
| 565 | R | 93.4 | Very high | 85.1 | Confident | 85 Ų | 85 | 75.3 Ų | 75.3 | 32% | 0.321 | 40% | 0.399 | S | S | . | . | B | Isolated β-bridge | trans | -65.8 | 123.5 | 177.1 | -61.3 | -176.1 | -68 | 165.2 | 6.6 | 110.7 | F557 L559 V567 Y577 E592 | F557-R565 HydrophobicContact CB-CB 4.49Å; F557-R565 HydrophobicContact CB-CG 3.99Å; F557-R565 HydrophobicContact CD1-CG 4.4Å; F557-R565 HydrophobicContact CG-CG 4.07Å; F557-R565 VanDerWaalsContact CZ-NH1 3.35Å; L559-R565 HydrophobicContact CD2-CG 4.08Å; R565-V567 PolarHBondContact O-N 3.15Å; R565-V567 VanDerWaalsContact O-N 3.11Å; R565-Y577 HydrophobicContact CB-CD1 3.57Å; R565-Y577 HydrophobicContact CB-CE1 3.75Å; R565-Y577 HydrophobicContact CB-CG 4.43Å; R565-Y577 PolarHBondContact NH2-OH 3.37Å; R565-E592 IonicContact CZ-OE1 3.48Å; R565-E592 IonicContact CZ-OE2 2.65Å; R565-E592 IonicContact NH1-OE1 3.67Å; R565-E592 PolarHBondContact NH1-OE1 3.2Å; R565-E592 IonicContact NH1-OE2 3.74Å; R565-E592 PolarHBondContact NH1-OE2 3.15Å; R565-E592 IonicContact NH2-OE2 3.89Å; R565-E592 PolarHBondContact NH2-OE2 2.83Å |
| 566 | T | 92.1 | Very high | 85.2 | Confident | 32 Ų | 32 | 74.6 Ų | 74.6 | 20% | 0.196 | 40% | 0.399 | C | S | . | . | trans | -62.5 | 109.5 | -177 | -63.4 | 0 | 0 | 0 | 0 | 111 | E558 D560 N564 Y577 S578 | E558-T566 WeakPolarHBondContact O-CB 3.45Å; E558-T566 PolarHBondContact O-N 3.16Å; E558-T566 PolarHBondContact O-OG1 3.16Å; D560-T566 PolarHBondContact N-OG1 3.33Å; N564-T566 PolarHBondContact O-N 3.28Å; T566-Y577 CarbonylContact O-C 3.42Å; T566-Y577 VanDerWaalsContact O-CA 3.3Å; T566-Y577 WeakPolarHBondContact O-CA 3.33Å; T566-S578 PolarHBondContact O-N 3.22Å | ||
| 567 | V | 92.3 | Very high | 85.4 | Confident | 74 Ų | 74 | 72.4 Ų | 72.4 | 45% | 0.448 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 122.2 | 177.5 | 178.1 | 0 | 0 | 0 | 0 | 110.1 | R565 T575 Y577 | R565-V567 PolarHBondContact O-N 3.15Å; R565-V567 VanDerWaalsContact O-N 3.11Å; V567-T575 HydrophobicContact CG1-CG2 3.84Å; V567-T575 HydrophobicContact CG2-CG2 4.01Å; V567-Y577 HydrophobicContact CG2-CD1 3.9Å; V567-Y577 HydrophobicContact CG2-CE1 3.59Å |
| 568 | L | 88.2 | Confident | 85.4 | Confident | 83 Ų | 83 | 70.4 Ų | 70.4 | 44% | 0.435 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | -34.3 | 172.8 | -64.4 | 170.5 | 0 | 0 | 0 | 112 | V576 Y577 A589 L640 | L568-V576 HydrophobicContact CB-CG1 4.38Å; L568-V576 HydrophobicContact CD1-CG1 4.24Å; L568-V576 PolarHBondContact N-O 3.43Å; L568-Y577 WeakPolarHBondContact CD1-O 3.29Å; L568-A589 HydrophobicContact CD1-CB 4Å; L568-L640 HydrophobicContact CD1-CD1 3.33Å; L568-L640 HydrophobicContact CD2-CD1 3.95Å; L568-L640 HydrophobicContact CG-CD1 4.3Å |
| 569 | G | 83.8 | Confident | 85.4 | Confident | 29 Ų | 29 | 66.2 Ų | 66.2 | 30% | 0.299 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.7 | 170.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V576 | G569-V576 PolarHBondContact N-O 3.08Å; G569-V576 PolarHBondContact O-N 3.02Å |
| 570 | K | 80.4 | Confident | 85.2 | Confident | 171 Ų | 171 | 65.3 Ų | 65.3 | 74% | 0.743 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 111.1 | 170.8 | -68.6 | -178.6 | 177.4 | -178.5 | 0 | 107.5 | T575 | K570-T575 HydrophobicContact CG-CG2 4.23Å |
| 571 | G | 66.2 | Low | 85 | Confident | 28 Ų | 28 | 63.5 Ų | 63.5 | 29% | 0.289 | 34% | 0.339 | S | S | . | . | trans | -86.3 | -178.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | F573 G574 | G571-F573 PolarHBondContact O-N 3.02Å; G571-F573 VanDerWaalsContact O-N 3.14Å; G571-G574 PolarHBondContact N-O 3.25Å | ||
| 572 | T | 62.7 | Low | 84.6 | Confident | 76 Ų | 76 | 58.2 Ų | 58.2 | 47% | 0.466 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -58.3 | -32.4 | -173.2 | -51 | 0 | 0 | 0 | 0 | 113.7 | D706 T709 | T572-D706 PolarHBondContact N-OD2 3.48Å; T572-D706 PolarHBondContact OG1-OD2 3.27Å; T572-T709 HydrophobicContact CG2-CG2 4.3Å |
| 573 | F | 65.5 | Low | 83.8 | Confident | 94 Ų | 94 | 58.4 Ų | 58.4 | 41% | 0.412 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -123.1 | -1.8 | -173.1 | -55.6 | -76.7 | 0 | 0 | 0 | 114.7 | G571 L593 G708 | G571-F573 PolarHBondContact O-N 3.02Å; G571-F573 VanDerWaalsContact O-N 3.14Å; F573-L593 HydrophobicContact CB-CD2 3.61Å; F573-L593 WeakPolarHBondContact O-CD2 3.34Å; F573-L593 WeakPolarHBondContact O-CG 3.5Å; F573-G708 WeakPolarHBondContact CE2-O 3.4Å |
| 574 | G | 76.6 | Confident | 83.1 | Confident | 13 Ų | 13 | 58.5 Ų | 58.5 | 13% | 0.134 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -171 | 168.1 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | G571 E592 | G571-G574 PolarHBondContact N-O 3.25Å; G574-E592 CarbonylContact C-O 3.47Å; G574-E592 WeakPolarHBondContact CA-O 3.37Å |
| 575 | T | 88.3 | Confident | 82.4 | Confident | 32 Ų | 32 | 58.4 Ų | 58.4 | 20% | 0.196 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 131.9 | 176.5 | -58.2 | 0 | 0 | 0 | 0 | 109.7 | V567 K570 Y577 K591 E592 | V567-T575 HydrophobicContact CG1-CG2 3.84Å; V567-T575 HydrophobicContact CG2-CG2 4.01Å; K570-T575 HydrophobicContact CG-CG2 4.23Å; T575-Y577 HydrophobicContact CG2-CD1 4.47Å; T575-Y577 HydrophobicContact CG2-CD2 4.29Å; T575-Y577 HydrophobicContact CG2-CE1 3.94Å; T575-Y577 HydrophobicContact CG2-CE2 3.74Å; T575-K591 CarbonylContact O-C 3.59Å; T575-K591 WeakPolarHBondContact O-CA 3.44Å; T575-E592 PolarHBondContact N-O 2.89Å; T575-E592 PolarHBondContact O-N 3Å |
| 576 | V | 91.5 | Very high | 81.5 | Confident | 26 Ų | 26 | 63.1 Ų | 63.1 | 16% | 0.158 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 120.3 | 177.7 | -168.1 | 0 | 0 | 0 | 0 | 108.9 | L568 G569 A589 I590 K591 M638 | L568-V576 HydrophobicContact CB-CG1 4.38Å; L568-V576 HydrophobicContact CD1-CG1 4.24Å; L568-V576 PolarHBondContact N-O 3.43Å; G569-V576 PolarHBondContact N-O 3.08Å; G569-V576 PolarHBondContact O-N 3.02Å; V576-A589 HydrophobicContact CG1-CB 3.95Å; V576-I590 WeakPolarHBondContact CA-O 3.48Å; V576-K591 HydrophobicContact CG2-CB 4.08Å; V576-K591 HydrophobicContact CG2-CD 4.44Å; V576-K591 HydrophobicContact CG2-CG 4.05Å; V576-M638 HydrophobicContact CG1-CE 4.37Å |
| 577 | Y | 94.6 | Very high | 81.2 | Confident | 34 Ų | 34 | 65.1 Ų | 65.1 | 13% | 0.133 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 154.7 | 177.6 | -61.2 | -83.4 | 0 | 0 | 0 | 111.4 | F557 R565 T566 V567 L568 T575 A589 I590 E592 | F557-Y577 HydrophobicContact CD1-CG 4.27Å; F557-Y577 HydrophobicContact CE1-CD2 4.12Å; F557-Y577 HydrophobicContact CE1-CG 4.09Å; R565-Y577 HydrophobicContact CB-CD1 3.57Å; R565-Y577 HydrophobicContact CB-CE1 3.75Å; R565-Y577 HydrophobicContact CB-CG 4.43Å; R565-Y577 PolarHBondContact NH2-OH 3.37Å; T566-Y577 CarbonylContact O-C 3.42Å; T566-Y577 VanDerWaalsContact O-CA 3.3Å; T566-Y577 WeakPolarHBondContact O-CA 3.33Å; V567-Y577 HydrophobicContact CG2-CD1 3.9Å; V567-Y577 HydrophobicContact CG2-CE1 3.59Å; L568-Y577 WeakPolarHBondContact CD1-O 3.29Å; T575-Y577 HydrophobicContact CG2-CD1 4.47Å; T575-Y577 HydrophobicContact CG2-CD2 4.29Å; T575-Y577 HydrophobicContact CG2-CE1 3.94Å; T575-Y577 HydrophobicContact CG2-CE2 3.74Å; Y577-A589 WeakPolarHBondContact O-CA 3.28Å; Y577-I590 PolarHBondContact N-O 3.36Å; Y577-I590 PolarHBondContact O-N 2.89Å; Y577-E592 HydrophobicContact CD2-CB 4.34Å; Y577-E592 HydrophobicContact CD2-CG 3.91Å; Y577-E592 HydrophobicContact CE2-CB 4.01Å; Y577-E592 HydrophobicContact CE2-CG 3.89Å; Y577-E592 VanDerWaalsContact CE2-OE2 3.28Å; Y577-E592 WeakPolarHBondContact CE2-OE2 3.4Å |
| 578 | S | 92.8 | Very high | 81.1 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.007 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 140.5 | 165.6 | -168.6 | 0 | 0 | 0 | 0 | 109.7 | E558 T566 M587 | E558-S578 PolarHBondContact N-O 3.39Å; E558-S578 WeakPolarHBondContact OE2-CB 3.48Å; E558-S578 PolarHBondContact OE2-OG 2.98Å; T566-S578 PolarHBondContact O-N 3.22Å; S578-M587 WeakPolarHBondContact OG-CE 3.3Å |
| 579 | G | 91.9 | Very high | 81.3 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | -179.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E556 M587 I588 | E556-G579 CarbonylContact O-C 3.54Å; E556-G579 WeakPolarHBondContact O-CA 3.46Å; G579-M587 CarbonylContact O-C 3.48Å; G579-M587 WeakPolarHBondContact O-CA 3.44Å; G579-M587 WeakPolarHBondContact O-CE 3.39Å; G579-I588 PolarHBondContact N-O 3.02Å; G579-I588 PolarHBondContact O-N 3.26Å |
| 580 | R | 87.3 | Confident | 81.7 | Confident | 86 Ų | 86 | 56.8 Ų | 56.8 | 33% | 0.325 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 126.1 | -177.2 | -168.8 | -174.7 | -167.6 | -166.8 | 1.1 | 110.1 | Y555 E556 Q585 R586 M587 | Y555-R580 CarbonylContact C-O 3.49Å; Y555-R580 WeakPolarHBondContact CA-O 3.31Å; Y555-R580 VanDerWaalsContact CB-O 3.28Å; Y555-R580 WeakPolarHBondContact CB-O 3.33Å; E556-R580 HydrophobicContact CG-CB 3.88Å; E556-R580 PolarHBondContact N-O 3.22Å; E556-R580 PolarHBondContact O-N 3.04Å; E556-R580 WeakPolarHBondContact OE1-CD 3.4Å; E556-R580 IonicContact OE1-NH1 3.92Å; R580-Q585 PolarHBondContact NE-O 2.82Å; R580-R586 WeakPolarHBondContact CA-O 3.37Å; R580-M587 HydrophobicContact CB-SD 4.02Å; R580-M587 HydrophobicContact CG-SD 4.05Å |
| 581 | D | 83.7 | Confident | 82.1 | Confident | 23 Ų | 23 | 48.8 Ų | 48.8 | 12% | 0.123 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 123.8 | 168.8 | 163.8 | -1 | 0 | 0 | 0 | 108.5 | I553 S554 D583 S584 Q585 R586 I588 | I553-D581 HydrophobicContact CG2-CB 4.17Å; S554-D581 CarbonylContact O-C 3.55Å; S554-D581 WeakPolarHBondContact O-CA 3.34Å; D581-D583 WeakPolarHBondContact OD1-CA 3.49Å; D581-D583 WeakPolarHBondContact OD1-CB 3.22Å; D581-D583 PolarHBondContact OD1-N 3.18Å; D581-S584 PolarHBondContact OD1-N 2.94Å; D581-S584 WeakPolarHBondContact OD2-CB 3.43Å; D581-S584 PolarHBondContact OD2-OG 3.34Å; D581-Q585 CarbonylContact O-C 3.6Å; D581-Q585 WeakPolarHBondContact O-CA 3.47Å; D581-Q585 PolarHBondContact O-N 3.36Å; D581-R586 PolarHBondContact N-O 3.03Å; D581-I588 HydrophobicContact CB-CD1 4.27Å; D581-I588 HydrophobicContact CB-CG2 4.03Å |
| 582 | F | 79.2 | Confident | 83.2 | Confident | 81 Ų | 81 | 48.3 Ų | 48.3 | 36% | 0.355 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -30.6 | -179.5 | -78.4 | -59.6 | 0 | 0 | 0 | 113 | S554 Y555 E556 Q585 | S554-F582 PolarHBondContact O-N 3.47Å; S554-F582 WeakPolarHBondContact OG-CD2 3.3Å; Y555-F582 VanDerWaalsContact C-CE2 3.4Å; Y555-F582 WeakPolarHBondContact O-CE2 3.38Å; E556-F582 HydrophobicContact CB-CE1 4.34Å; E556-F582 HydrophobicContact CB-CE2 3.96Å; E556-F582 HydrophobicContact CB-CZ 3.6Å; E556-F582 HydrophobicContact CG-CE1 3.92Å; E556-F582 HydrophobicContact CG-CE2 4.3Å; E556-F582 HydrophobicContact CG-CZ 3.69Å; E556-F582 WeakPolarHBondContact OE2-CZ 3.34Å; F582-Q585 PolarHBondContact O-NE2 3.2Å |
| 583 | D | 71.7 | Confident | 83.9 | Confident | 114 Ų | 114 | 45.4 Ų | 45.4 | 61% | 0.61 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -43.2 | -174.9 | -57.6 | -52.8 | 0 | 0 | 0 | 110.5 | S554 D581 | S554-D583 WeakPolarHBondContact CB-OD2 3.33Å; S554-D583 PolarHBondContact N-OD2 3.4Å; D581-D583 WeakPolarHBondContact OD1-CA 3.49Å; D581-D583 WeakPolarHBondContact OD1-CB 3.22Å; D581-D583 PolarHBondContact OD1-N 3.18Å |
| 584 | S | 71.2 | Confident | 84.4 | Confident | 51 Ų | 51 | 46.8 Ų | 46.8 | 36% | 0.357 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -11.7 | 174.6 | 81.7 | 0 | 0 | 0 | 0 | 114.5 | D581 R586 | D581-S584 PolarHBondContact OD1-N 2.94Å; D581-S584 WeakPolarHBondContact OD2-CB 3.43Å; D581-S584 PolarHBondContact OD2-OG 3.34Å; S584-R586 PolarHBondContact O-N 3Å; S584-R586 WeakPolarHBondContact OG-CB 3.35Å; S584-R586 WeakPolarHBondContact OG-CD 3.32Å; S584-R586 VanDerWaalsContact OG-CG 3.31Å; S584-R586 WeakPolarHBondContact OG-CG 3.32Å; S584-R586 PolarHBondContact OG-N 2.7Å |
| 585 | Q | 76.6 | Confident | 83.9 | Confident | 94 Ų | 94 | 47.6 Ų | 47.6 | 44% | 0.439 | 23% | 0.227 | S | C | . | . | trans | 58.9 | 14.3 | -172.7 | -65.8 | -74.5 | -57 | 0 | 0 | 114.2 | R580 D581 F582 | R580-Q585 PolarHBondContact NE-O 2.82Å; D581-Q585 CarbonylContact O-C 3.6Å; D581-Q585 WeakPolarHBondContact O-CA 3.47Å; D581-Q585 PolarHBondContact O-N 3.36Å; F582-Q585 PolarHBondContact O-NE2 3.2Å | ||
| 586 | R | 75.5 | Confident | 82.9 | Confident | 184 Ų | 184 | 53.3 Ų | 53.3 | 69% | 0.694 | 25% | 0.25 | S | C | * | . | trans | -89.1 | 150.6 | -177.5 | -63.6 | 176.1 | -179.1 | -168.6 | -0.5 | 111.8 | R580 D581 S584 | R580-R586 WeakPolarHBondContact CA-O 3.37Å; D581-R586 PolarHBondContact N-O 3.03Å; S584-R586 PolarHBondContact O-N 3Å; S584-R586 WeakPolarHBondContact OG-CB 3.35Å; S584-R586 WeakPolarHBondContact OG-CD 3.32Å; S584-R586 VanDerWaalsContact OG-CG 3.31Å; S584-R586 WeakPolarHBondContact OG-CG 3.32Å; S584-R586 PolarHBondContact OG-N 2.7Å | ||
| 587 | M | 84.2 | Confident | 81.3 | Confident | 74 Ų | 74 | 57 Ų | 57 | 37% | 0.365 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 138.3 | 169 | -57.8 | -55.9 | -67.7 | 0 | 0 | 110.8 | E558 S578 G579 R580 L640 | E558-M587 HydrophobicContact CB-CE 4.22Å; E558-M587 HydrophobicContact CG-CE 4.44Å; E558-M587 WeakPolarHBondContact OE2-CE 3.4Å; S578-M587 WeakPolarHBondContact OG-CE 3.3Å; G579-M587 CarbonylContact O-C 3.48Å; G579-M587 WeakPolarHBondContact O-CA 3.44Å; G579-M587 WeakPolarHBondContact O-CE 3.39Å; R580-M587 HydrophobicContact CB-SD 4.02Å; R580-M587 HydrophobicContact CG-SD 4.05Å; M587-L640 HydrophobicContact CB-CB 4.09Å; M587-L640 HydrophobicContact CB-CD2 3.51Å; M587-L640 HydrophobicContact CB-CG 4.43Å; M587-L640 HydrophobicContact CG-CD2 4.29Å |
| 588 | I | 90.9 | Very high | 79.3 | Confident | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.015 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 156 | -178.5 | 60.5 | 175.5 | 0 | 0 | 0 | 109.8 | I553 G579 D581 I590 L623 F637 M638 | I553-I588 HydrophobicContact CG2-CD1 4.42Å; G579-I588 PolarHBondContact N-O 3.02Å; G579-I588 PolarHBondContact O-N 3.26Å; D581-I588 HydrophobicContact CB-CD1 4.27Å; D581-I588 HydrophobicContact CB-CG2 4.03Å; I588-I590 HydrophobicContact CD1-CD1 4.29Å; I588-I590 HydrophobicContact CD1-CG1 4.16Å; I588-I590 HydrophobicContact CG1-CD1 4.4Å; I588-I590 HydrophobicContact CG1-CG1 4.12Å; I588-L623 HydrophobicContact CB-CD1 4.33Å; I588-L623 HydrophobicContact CG2-CD1 3.64Å; I588-F637 HydrophobicContact CD1-CD1 3.84Å; I588-F637 HydrophobicContact CD1-CE1 4.35Å; I588-M638 WeakPolarHBondContact CA-O 3.44Å |
| 589 | A | 92.6 | Very high | 77.4 | Confident | 8 Ų | 8 | 66.3 Ų | 66.3 | 7% | 0.066 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 131.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | L568 V576 Y577 M638 L640 | L568-A589 HydrophobicContact CD1-CB 4Å; V576-A589 HydrophobicContact CG1-CB 3.95Å; Y577-A589 WeakPolarHBondContact O-CA 3.28Å; A589-M638 HydrophobicContact CB-CB 4.32Å; A589-M638 HydrophobicContact CB-CE 4.41Å; A589-M638 PolarHBondContact N-O 3.42Å; A589-M638 PolarHBondContact O-N 3.47Å; A589-L640 HydrophobicContact CB-CD1 4.38Å |
| 590 | I | 92.5 | Very high | 75.6 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 102.4 | -174.7 | -51.3 | 174 | 0 | 0 | 0 | 108.2 | Y555 F557 V576 Y577 I588 E592 R635 I636 F637 | Y555-I590 HydrophobicContact CD2-CD1 3.42Å; Y555-I590 VanDerWaalsContact CD2-CD1 3.42Å; Y555-I590 HydrophobicContact CE2-CD1 3.67Å; Y555-I590 HydrophobicContact CG-CD1 4.31Å; F557-I590 HydrophobicContact CD1-CD1 3.94Å; F557-I590 HydrophobicContact CE1-CB 4.16Å; F557-I590 HydrophobicContact CE1-CD1 3.76Å; F557-I590 HydrophobicContact CE1-CG2 4.01Å; F557-I590 HydrophobicContact CZ-CD1 4.35Å; F557-I590 HydrophobicContact CZ-CG2 4.28Å; V576-I590 WeakPolarHBondContact CA-O 3.48Å; Y577-I590 PolarHBondContact N-O 3.36Å; Y577-I590 PolarHBondContact O-N 2.89Å; I588-I590 HydrophobicContact CD1-CD1 4.29Å; I588-I590 HydrophobicContact CD1-CG1 4.16Å; I588-I590 HydrophobicContact CG1-CD1 4.4Å; I588-I590 HydrophobicContact CG1-CG1 4.12Å; I590-E592 HydrophobicContact CG2-CG 4.44Å; I590-E592 PolarHBondContact O-N 2.77Å; I590-R635 HydrophobicContact CG2-CB 4.09Å; I590-R635 HydrophobicContact CG2-CG 4.49Å; I590-I636 WeakPolarHBondContact CA-O 3.49Å; I590-F637 HydrophobicContact CD1-CE1 4.37Å; I590-F637 HydrophobicContact CG1-CD1 4.03Å; I590-F637 HydrophobicContact CG1-CE1 4.21Å; I590-F637 HydrophobicContact CG2-CD1 4.37Å; I590-F637 HydrophobicContact CG2-CE1 4.2Å |
| 591 | K | 89.1 | Confident | 74.2 | Confident | 3 Ų | 3 | 65.2 Ų | 65.2 | 1% | 0.013 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 108.1 | 175.7 | -177.1 | 175.6 | 172.4 | -175.5 | 0 | 108.9 | T575 V576 L593 E607 R635 I636 M638 D706 | T575-K591 CarbonylContact O-C 3.59Å; T575-K591 WeakPolarHBondContact O-CA 3.44Å; V576-K591 HydrophobicContact CG2-CB 4.08Å; V576-K591 HydrophobicContact CG2-CD 4.44Å; V576-K591 HydrophobicContact CG2-CG 4.05Å; K591-L593 HydrophobicContact CG-CD1 3.97Å; K591-E607 IonicContact NZ-OE1 3.87Å; K591-E607 PolarHBondContact NZ-OE1 3.29Å; K591-E607 IonicContact NZ-OE2 2.66Å; K591-E607 PolarHBondContact NZ-OE2 3.14Å; K591-R635 WeakPolarHBondContact O-CA 3.48Å; K591-I636 HydrophobicContact CB-CB 4.32Å; K591-I636 PolarHBondContact N-O 2.81Å; K591-I636 PolarHBondContact O-N 2.85Å; K591-M638 HydrophobicContact CB-CE 3.65Å; K591-M638 HydrophobicContact CD-CE 4.47Å; K591-D706 IonicContact NZ-OD1 3.42Å; K591-D706 PolarHBondContact NZ-OD1 2.72Å |
| 592 | E | 87.9 | Confident | 73 | Confident | 18 Ų | 18 | 67.7 Ų | 67.7 | 8% | 0.084 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 135 | 173.7 | -66.8 | -162 | 143.2 | 0 | 0 | 111.5 | F557 R565 G574 T575 Y577 I590 V633 F634 R635 | F557-E592 WeakPolarHBondContact CZ-OE1 3.36Å; R565-E592 IonicContact CZ-OE1 3.48Å; R565-E592 IonicContact CZ-OE2 2.65Å; R565-E592 IonicContact NH1-OE1 3.67Å; R565-E592 PolarHBondContact NH1-OE1 3.2Å; R565-E592 IonicContact NH1-OE2 3.74Å; R565-E592 PolarHBondContact NH1-OE2 3.15Å; R565-E592 IonicContact NH2-OE2 3.89Å; R565-E592 PolarHBondContact NH2-OE2 2.83Å; G574-E592 CarbonylContact C-O 3.47Å; G574-E592 WeakPolarHBondContact CA-O 3.37Å; T575-E592 PolarHBondContact N-O 2.89Å; T575-E592 PolarHBondContact O-N 3Å; Y577-E592 HydrophobicContact CD2-CB 4.34Å; Y577-E592 HydrophobicContact CD2-CG 3.91Å; Y577-E592 HydrophobicContact CE2-CB 4.01Å; Y577-E592 HydrophobicContact CE2-CG 3.89Å; Y577-E592 VanDerWaalsContact CE2-OE2 3.28Å; Y577-E592 WeakPolarHBondContact CE2-OE2 3.4Å; I590-E592 HydrophobicContact CG2-CG 4.44Å; I590-E592 PolarHBondContact O-N 2.77Å; E592-V633 HydrophobicContact CB-CG1 3.9Å; E592-V633 HydrophobicContact CG-CG1 3.99Å; E592-F634 CarbonylContact C-O 3.59Å; E592-F634 VanDerWaalsContact CA-O 3.31Å; E592-F634 WeakPolarHBondContact CA-O 2.78Å; E592-R635 HydrophobicContact CG-CG 4.15Å; E592-R635 IonicContact OE1-CZ 3.72Å; E592-R635 IonicContact OE1-NE 2.83Å; E592-R635 PolarHBondContact OE1-NE 2.78Å; E592-R635 IonicContact OE1-NH2 2.7Å; E592-R635 PolarHBondContact OE1-NH2 3.37Å |
| 593 | L | 79.1 | Confident | 72.1 | Confident | 15 Ų | 15 | 66.9 Ų | 66.9 | 8% | 0.079 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 130.4 | 172.7 | -57.6 | 89.6 | 0 | 0 | 0 | 109.6 | F573 K591 L604 V633 F634 I636 | F573-L593 HydrophobicContact CB-CD2 3.61Å; F573-L593 WeakPolarHBondContact O-CD2 3.34Å; F573-L593 WeakPolarHBondContact O-CG 3.5Å; K591-L593 HydrophobicContact CG-CD1 3.97Å; L593-L604 HydrophobicContact CD1-CD1 3.84Å; L593-L604 HydrophobicContact CD2-CD1 4.04Å; L593-L604 HydrophobicContact CG-CD1 4.48Å; L593-V633 WeakPolarHBondContact O-CA 3.38Å; L593-F634 PolarHBondContact N-O 2.84Å; L593-F634 PolarHBondContact O-N 2.89Å; L593-I636 HydrophobicContact CD1-CD1 4.38Å; L593-I636 HydrophobicContact CD1-CG1 4.48Å |
| 594 | E | 75 | Confident | 71.7 | Confident | 123 Ų | 123 | 61.6 Ų | 61.6 | 58% | 0.575 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 115.1 | 176.1 | -172.8 | -173 | -171.1 | 0 | 0 | 109.7 | K596 | E594-K596 HydrophobicContact CG-CG 4.32Å; E594-K596 PolarHBondContact O-N 3.03Å; E594-K596 WeakPolarHBondContact OE1-CE 3.36Å; E594-K596 IonicContact OE1-NZ 3.62Å; E594-K596 WeakPolarHBondContact OE2-CE 3.35Å; E594-K596 IonicContact OE2-NZ 2.69Å; E594-K596 PolarHBondContact OE2-NZ 2.62Å |
| 595 | V | 66.1 | Low | 71.3 | Confident | 30 Ų | 30 | 59.7 Ų | 59.7 | 18% | 0.182 | 30% | 0.303 | C | S | . | . | trans | -88.5 | 107.5 | 176.3 | 166.5 | 0 | 0 | 0 | 0 | 109.4 | V601 L604 K632 F634 | V595-V601 HydrophobicContact CB-CG2 4.44Å; V595-V601 HydrophobicContact CG1-CG2 3.48Å; V595-V601 VanDerWaalsContact CG1-CG2 3.48Å; V595-V601 HydrophobicContact CG2-CG2 4.11Å; V595-L604 HydrophobicContact CG2-CD2 4.49Å; V595-K632 PolarHBondContact N-O 2.68Å; V595-F634 HydrophobicContact CB-CD2 4.02Å; V595-F634 HydrophobicContact CB-CE2 3.76Å; V595-F634 HydrophobicContact CG1-CE2 4.37Å; V595-F634 HydrophobicContact CG2-CD2 3.4Å; V595-F634 VanDerWaalsContact CG2-CD2 3.4Å; V595-F634 HydrophobicContact CG2-CE2 3.43Å; V595-F634 VanDerWaalsContact CG2-CE2 3.43Å | ||
| 596 | K | 66.9 | Low | 70.8 | Confident | 152 Ų | 152 | 59.3 Ų | 59.3 | 66% | 0.661 | 30% | 0.301 | S | S | * | . | trans | -88.9 | -37.7 | 176.9 | -61.9 | -175.3 | 179 | 177.9 | 0 | 112.6 | E594 | E594-K596 HydrophobicContact CG-CG 4.32Å; E594-K596 PolarHBondContact O-N 3.03Å; E594-K596 WeakPolarHBondContact OE1-CE 3.36Å; E594-K596 IonicContact OE1-NZ 3.62Å; E594-K596 WeakPolarHBondContact OE2-CE 3.35Å; E594-K596 IonicContact OE2-NZ 2.69Å; E594-K596 PolarHBondContact OE2-NZ 2.62Å | ||
| 597 | N | 59.3 | Low | 70.5 | Confident | 102 Ų | 102 | 50.9 Ų | 50.9 | 55% | 0.545 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -129.1 | 148.2 | -176.2 | -63 | 0.4 | 0 | 0 | 0 | 109.3 | E599 G600 | N597-E599 PolarHBondContact O-N 2.89Å; N597-E599 VanDerWaalsContact O-N 3.11Å; N597-G600 PolarHBondContact O-N 3Å |
| 598 | P | 52.3 | Low | 69.8 | Low | 87 Ų | 87 | 48 Ų | 48 | 57% | 0.565 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -58.1 | -27.4 | 179.4 | 22.5 | -33.7 | 0 | 0 | 0 | 113.5 | G600 V601 | P598-G600 PolarHBondContact O-N 3.2Å; P598-V601 WeakPolarHBondContact O-CB 3.33Å; P598-V601 WeakPolarHBondContact O-CG2 3.28Å; P598-V601 PolarHBondContact O-N 3.26Å |
| 599 | E | 51.8 | Low | 68.7 | Low | 145 Ų | 145 | 50.2 Ų | 50.2 | 68% | 0.678 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -62.8 | -28.4 | 176.2 | -60.3 | -177.5 | 152.8 | 0 | 0 | 113.7 | N597 V601 P603 | N597-E599 PolarHBondContact O-N 2.89Å; N597-E599 VanDerWaalsContact O-N 3.11Å; E599-V601 VanDerWaalsContact C-N 3.28Å; E599-V601 PolarHBondContact O-N 3.4Å; E599-P603 WeakPolarHBondContact O-CD 3.29Å |
| 600 | G | 54.5 | Low | 67.5 | Low | 41 Ų | 41 | 50.4 Ų | 50.4 | 42% | 0.423 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -75 | -13.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | N597 P598 | N597-G600 PolarHBondContact O-N 3Å; P598-G600 PolarHBondContact O-N 3.2Å |
| 601 | V | 58.8 | Low | 66.9 | Low | 22 Ų | 22 | 50.4 Ų | 50.4 | 13% | 0.133 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -72.3 | -36.7 | 178.5 | -177.2 | 0 | 0 | 0 | 0 | 111.3 | F527 V595 P598 E599 L604 V605 | F527-V601 HydrophobicContact CD1-CG1 3.71Å; F527-V601 HydrophobicContact CE1-CG1 4.39Å; V595-V601 HydrophobicContact CB-CG2 4.44Å; V595-V601 HydrophobicContact CG1-CG2 3.48Å; V595-V601 VanDerWaalsContact CG1-CG2 3.48Å; V595-V601 HydrophobicContact CG2-CG2 4.11Å; P598-V601 WeakPolarHBondContact O-CB 3.33Å; P598-V601 WeakPolarHBondContact O-CG2 3.28Å; P598-V601 PolarHBondContact O-N 3.26Å; E599-V601 VanDerWaalsContact C-N 3.28Å; E599-V601 PolarHBondContact O-N 3.4Å; V601-L604 WeakPolarHBondContact O-CB 3.15Å; V601-L604 PolarHBondContact O-N 3.35Å; V601-V605 HydrophobicContact CG1-CG2 4.06Å; V601-V605 WeakPolarHBondContact O-CG2 3.46Å; V601-V605 PolarHBondContact O-N 2.96Å |
| 602 | Q | 58.2 | Low | 66.1 | Low | 75 Ų | 75 | 52.1 Ų | 52.1 | 35% | 0.35 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.4 | -47.1 | -170.5 | -176.8 | 61.8 | 30.5 | 0 | 0 | 113.5 | L604 V605 E606 | Q602-L604 PolarHBondContact O-N 3.31Å; Q602-V605 PolarHBondContact O-N 3.21Å; Q602-E606 WeakPolarHBondContact CG-OE1 3.39Å; Q602-E606 PolarHBondContact NE2-OE1 3.34Å; Q602-E606 WeakPolarHBondContact O-CG 3.34Å; Q602-E606 PolarHBondContact O-N 3.29Å |
| 603 | P | 59.2 | Low | 65.4 | Low | 63 Ų | 63 | 53.6 Ų | 53.6 | 41% | 0.409 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61 | -34.4 | 175.6 | -22.9 | 34.5 | 0 | 0 | 0 | 112.9 | E599 E606 E607 | E599-P603 WeakPolarHBondContact O-CD 3.29Å; P603-E606 PolarHBondContact O-N 2.84Å; P603-E607 PolarHBondContact O-N 3.24Å |
| 604 | L | 64.1 | Low | 65.3 | Low | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.8 | -44.1 | 175.4 | 165.6 | 65.7 | 0 | 0 | 0 | 112 | F527 L593 V595 V601 Q602 E606 E607 I608 F634 I636 | F527-L604 HydrophobicContact CE1-CD2 4.38Å; L593-L604 HydrophobicContact CD1-CD1 3.84Å; L593-L604 HydrophobicContact CD2-CD1 4.04Å; L593-L604 HydrophobicContact CG-CD1 4.48Å; V595-L604 HydrophobicContact CG2-CD2 4.49Å; V601-L604 WeakPolarHBondContact O-CB 3.15Å; V601-L604 PolarHBondContact O-N 3.35Å; Q602-L604 PolarHBondContact O-N 3.31Å; L604-E606 VanDerWaalsContact C-N 3.27Å; L604-E606 PolarHBondContact O-N 2.9Å; L604-E607 PolarHBondContact O-N 3.36Å; L604-I608 HydrophobicContact CD1-CD1 3.71Å; L604-I608 HydrophobicContact CD1-CG1 4.1Å; L604-I608 HydrophobicContact CG-CD1 4.01Å; L604-I608 WeakPolarHBondContact O-CG1 3.28Å; L604-I608 PolarHBondContact O-N 2.94Å; L604-F634 HydrophobicContact CD2-CB 3.36Å; L604-F634 HydrophobicContact CD2-CD1 3.75Å; L604-F634 HydrophobicContact CD2-CD2 3.79Å; L604-F634 HydrophobicContact CD2-CG 3.33Å; L604-I636 HydrophobicContact CD1-CD1 3.84Å; L604-I636 HydrophobicContact CD1-CG1 4.27Å |
| 605 | V | 63.6 | Low | 65.7 | Low | 11 Ų | 11 | 55 Ų | 55 | 7% | 0.067 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.6 | -39.2 | 174.8 | 168.7 | 0 | 0 | 0 | 0 | 110.6 | F527 V601 Q602 I608 Q609 | F527-V605 HydrophobicContact CD1-CG2 3.42Å; F527-V605 VanDerWaalsContact CD1-CG2 3.42Å; F527-V605 HydrophobicContact CE1-CG2 3.6Å; F527-V605 HydrophobicContact CG-CG2 4.44Å; V601-V605 HydrophobicContact CG1-CG2 4.06Å; V601-V605 WeakPolarHBondContact O-CG2 3.46Å; V601-V605 PolarHBondContact O-N 2.96Å; Q602-V605 PolarHBondContact O-N 3.21Å; V605-I608 PolarHBondContact O-N 3.45Å; V605-Q609 HydrophobicContact CG1-CG 4.28Å; V605-Q609 VanDerWaalsContact CG1-NE2 3.34Å; V605-Q609 VanDerWaalsContact O-CB 3.32Å; V605-Q609 WeakPolarHBondContact O-CB 3.43Å; V605-Q609 VanDerWaalsContact O-CG 3.26Å; V605-Q609 WeakPolarHBondContact O-CG 3.39Å; V605-Q609 PolarHBondContact O-N 3.33Å |
| 606 | E | 64.4 | Low | 66.8 | Low | 85 Ų | 85 | 56.1 Ų | 56.1 | 40% | 0.397 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.9 | -42.6 | 174.3 | -72.2 | 171.4 | -156.5 | 0 | 0 | 112.3 | Q602 P603 L604 Q609 L610 | Q602-E606 WeakPolarHBondContact CG-OE1 3.39Å; Q602-E606 PolarHBondContact NE2-OE1 3.34Å; Q602-E606 WeakPolarHBondContact O-CG 3.34Å; Q602-E606 PolarHBondContact O-N 3.29Å; P603-E606 PolarHBondContact O-N 2.84Å; L604-E606 VanDerWaalsContact C-N 3.27Å; L604-E606 PolarHBondContact O-N 2.9Å; E606-Q609 PolarHBondContact O-N 3.21Å; E606-L610 VanDerWaalsContact O-CB 3.23Å; E606-L610 WeakPolarHBondContact O-CB 3.31Å; E606-L610 PolarHBondContact O-N 3.17Å |
| 607 | E | 70.9 | Confident | 67.8 | Low | 7 Ų | 7 | 52.3 Ų | 52.3 | 3% | 0.033 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.2 | -49.6 | 173.2 | -177.1 | 174.7 | 172.8 | 0 | 0 | 111.2 | K591 P603 L604 L610 H611 I636 F707 G708 | K591-E607 IonicContact NZ-OE1 3.87Å; K591-E607 PolarHBondContact NZ-OE1 3.29Å; K591-E607 IonicContact NZ-OE2 2.66Å; K591-E607 PolarHBondContact NZ-OE2 3.14Å; P603-E607 PolarHBondContact O-N 3.24Å; L604-E607 PolarHBondContact O-N 3.36Å; E607-L610 PolarHBondContact O-N 2.86Å; E607-H611 VanDerWaalsContact O-CB 3.24Å; E607-H611 WeakPolarHBondContact O-CB 3.5Å; E607-H611 PolarHBondContact O-N 3.18Å; E607-I636 HydrophobicContact CG-CD1 4.33Å; E607-F707 HydrophobicContact CG-CB 4.44Å; E607-G708 VanDerWaalsContact CD-N 3.3Å; E607-G708 PolarHBondContact OE1-N 3.43Å; E607-G708 WeakPolarHBondContact OE2-CA 3.46Å |
| 608 | I | 69.4 | Low | 69.5 | Low | 14 Ų | 14 | 47.6 Ų | 47.6 | 7% | 0.072 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 179.6 | -67.9 | 167.5 | 0 | 0 | 0 | 111.1 | F527 L604 V605 L610 S612 Y622 C625 I636 | F527-I608 HydrophobicContact CZ-CD1 4.22Å; L604-I608 HydrophobicContact CD1-CD1 3.71Å; L604-I608 HydrophobicContact CD1-CG1 4.1Å; L604-I608 HydrophobicContact CG-CD1 4.01Å; L604-I608 WeakPolarHBondContact O-CG1 3.28Å; L604-I608 PolarHBondContact O-N 2.94Å; V605-I608 PolarHBondContact O-N 3.45Å; I608-L610 VanDerWaalsContact C-N 3.31Å; I608-L610 PolarHBondContact O-N 2.76Å; I608-S612 WeakPolarHBondContact O-CB 3.01Å; I608-S612 PolarHBondContact O-N 3.45Å; I608-S612 PolarHBondContact O-OG 2.82Å; I608-Y622 HydrophobicContact CG2-CE2 4.21Å; I608-C625 HydrophobicContact CD1-CB 4.08Å; I608-I636 HydrophobicContact CD1-CD1 4.38Å; I608-I636 HydrophobicContact CD1-CG1 4.21Å; I608-I636 HydrophobicContact CG1-CD1 3.73Å; I608-I636 HydrophobicContact CG1-CG1 3.92Å |
| 609 | Q | 66.1 | Low | 71.5 | Confident | 49 Ų | 49 | 43.5 Ų | 43.5 | 23% | 0.229 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.4 | -33.1 | 178.8 | -75.6 | -176.7 | 18.9 | 0 | 0 | 112.8 | L521 V605 E606 T613 | L521-Q609 HydrophobicContact CD1-CG 4.38Å; V605-Q609 HydrophobicContact CG1-CG 4.28Å; V605-Q609 VanDerWaalsContact CG1-NE2 3.34Å; V605-Q609 VanDerWaalsContact O-CB 3.32Å; V605-Q609 WeakPolarHBondContact O-CB 3.43Å; V605-Q609 VanDerWaalsContact O-CG 3.26Å; V605-Q609 WeakPolarHBondContact O-CG 3.39Å; V605-Q609 PolarHBondContact O-N 3.33Å; E606-Q609 PolarHBondContact O-N 3.21Å; Q609-T613 WeakPolarHBondContact O-CG2 3.43Å |
| 610 | L | 68.9 | Low | 73.5 | Confident | 12 Ų | 12 | 36.8 Ų | 36.8 | 6% | 0.063 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -73.3 | -55.8 | 175.2 | -169.4 | 155.4 | 0 | 0 | 0 | 109.8 | E606 E607 I608 S612 T613 L614 I683 F707 C710 R712 | E606-L610 VanDerWaalsContact O-CB 3.23Å; E606-L610 WeakPolarHBondContact O-CB 3.31Å; E606-L610 PolarHBondContact O-N 3.17Å; E607-L610 PolarHBondContact O-N 2.86Å; I608-L610 VanDerWaalsContact C-N 3.31Å; I608-L610 PolarHBondContact O-N 2.76Å; L610-S612 PolarHBondContact O-N 2.86Å; L610-T613 PolarHBondContact O-N 2.85Å; L610-T613 VanDerWaalsContact O-N 3.17Å; L610-T613 PolarHBondContact O-OG1 2.78Å; L610-L614 HydrophobicContact CD2-CD1 3.84Å; L610-L614 HydrophobicContact CD2-CG 4.34Å; L610-I683 HydrophobicContact CD1-CG2 4.35Å; L610-I683 HydrophobicContact CD2-CD1 4.16Å; L610-I683 HydrophobicContact CD2-CG2 4.35Å; L610-I683 HydrophobicContact CG-CD1 4.22Å; L610-F707 HydrophobicContact CD2-CB 4.38Å; L610-F707 HydrophobicContact CD2-CD1 4.19Å; L610-C710 HydrophobicContact CD1-CB 3.87Å; L610-C710 HydrophobicContact CD2-CB 4.06Å; L610-R712 HydrophobicContact CD1-CG 4.01Å |
| 611 | H | 78.4 | Confident | 74.9 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.1 | -38.3 | -171.9 | -167.6 | -168.4 | 0 | 0 | 0 | 113 | E607 T613 L614 V620 Y622 F707 | E607-H611 VanDerWaalsContact O-CB 3.24Å; E607-H611 WeakPolarHBondContact O-CB 3.5Å; E607-H611 PolarHBondContact O-N 3.18Å; H611-T613 PolarHBondContact O-N 3.48Å; H611-T613 VanDerWaalsContact O-N 3.13Å; H611-L614 WeakPolarHBondContact O-CB 3.4Å; H611-L614 PolarHBondContact O-N 2.79Å; H611-V620 PolarHBondContact NE2-O 2.8Å; H611-Y622 HydrophobicContact CB-CD2 4.36Å; H611-F707 HydrophobicContact CB-CB 4.2Å; H611-F707 HydrophobicContact CB-CD2 4.48Å; H611-F707 HydrophobicContact CB-CG 4.41Å; H611-F707 AromaticContact CD2-CD2 3.47Å; H611-F707 VanDerWaalsContact CD2-CD2 3.47Å; H611-F707 WeakPolarHBondContact CD2-CD2 3.34Å; H611-F707 AromaticContact CD2-CE2 3.82Å; H611-F707 AromaticContact CE1-CD2 3.66Å; H611-F707 AromaticContact CG-CD2 3.71Å; H611-F707 AromaticContact ND1-CD2 3.84Å; H611-F707 AromaticContact NE2-CD2 3.45Å; H611-F707 WeakPolarHBondContact NE2-CD2 3.26Å; H611-F707 AromaticContact NE2-CE2 3.54Å |
| 612 | S | 73.4 | Confident | 76.2 | Confident | 39 Ų | 39 | 38.1 Ų | 38.1 | 27% | 0.273 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -19.8 | 175.9 | 59 | 0 | 0 | 0 | 0 | 114.4 | I608 L610 | I608-S612 WeakPolarHBondContact O-CB 3.01Å; I608-S612 PolarHBondContact O-N 3.45Å; I608-S612 PolarHBondContact O-OG 2.82Å; L610-S612 PolarHBondContact O-N 2.86Å |
| 613 | T | 73.3 | Confident | 77.3 | Confident | 48 Ų | 48 | 38.2 Ų | 38.2 | 29% | 0.294 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -6.9 | 174.2 | 63.4 | 0 | 0 | 0 | 0 | 114.1 | Q609 L610 H611 R712 | Q609-T613 WeakPolarHBondContact O-CG2 3.43Å; L610-T613 PolarHBondContact O-N 2.85Å; L610-T613 VanDerWaalsContact O-N 3.17Å; L610-T613 PolarHBondContact O-OG1 2.78Å; H611-T613 PolarHBondContact O-N 3.48Å; H611-T613 VanDerWaalsContact O-N 3.13Å; T613-R712 PolarHBondContact OG1-NH2 3.07Å |
| 614 | L | 76.8 | Confident | 78.2 | Confident | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | trans | -92.9 | 131.5 | -175.5 | -54.6 | -175.2 | 0 | 0 | 0 | 112.3 | L610 H611 I619 Y677 L678 I683 F707 | L610-L614 HydrophobicContact CD2-CD1 3.84Å; L610-L614 HydrophobicContact CD2-CG 4.34Å; H611-L614 WeakPolarHBondContact O-CB 3.4Å; H611-L614 PolarHBondContact O-N 2.79Å; L614-I619 HydrophobicContact CB-CG2 4.03Å; L614-I619 HydrophobicContact CD1-CG2 4.32Å; L614-Y677 HydrophobicContact CB-CE1 4.42Å; L614-Y677 HydrophobicContact CD2-CE1 4.16Å; L614-L678 HydrophobicContact CD1-CD2 3.81Å; L614-L678 HydrophobicContact CD2-CD2 4.16Å; L614-I683 HydrophobicContact CD2-CD1 3.67Å; L614-F707 HydrophobicContact CD1-CD1 3.49Å; L614-F707 VanDerWaalsContact CD1-CD1 3.49Å; L614-F707 HydrophobicContact CD1-CE1 3.44Å; L614-F707 VanDerWaalsContact CD1-CE1 3.44Å; L614-F707 HydrophobicContact CD1-CG 4.2Å; L614-F707 HydrophobicContact CD1-CZ 4.08Å | ||
| 615 | K | 82.9 | Confident | 79 | Confident | 164 Ų | 164 | 36.8 Ų | 36.8 | 71% | 0.713 | 19% | 0.19 | S | C | * | . | trans | -150.8 | 101.2 | 175.8 | -174.6 | 168.3 | -173.4 | 175.7 | 0 | 110.7 | Y677 | K615-Y677 PolarHBondContact N-OH 2.97Å; K615-Y677 PolarHBondContact O-OH 3.36Å | ||
| 616 | H | 90.1 | Very high | 79.7 | Confident | 55 Ų | 55 | 38.6 Ų | 38.6 | 26% | 0.255 | 20% | 0.198 | S | C | . | . | trans | -154.4 | 152.3 | 177.6 | -178.7 | -104.9 | 0 | 0 | 0 | 110.2 | N618 I619 Y677 | H616-N618 VanDerWaalsContact C-N 3.27Å; H616-N618 PolarHBondContact CE1-OD1 3.26Å; H616-N618 PolarHBondContact ND1-N 2.93Å; H616-N618 PolarHBondContact O-N 2.98Å; H616-I619 HydrophobicContact CB-CB 4.18Å; H616-I619 HydrophobicContact CB-CG1 3.8Å; H616-I619 PolarHBondContact O-N 3.36Å; H616-I619 VanDerWaalsContact O-N 3.09Å; H616-Y677 HydrophobicContact CB-CD1 3.59Å; H616-Y677 HydrophobicContact CB-CD2 4Å; H616-Y677 HydrophobicContact CB-CE1 3.73Å; H616-Y677 HydrophobicContact CB-CE2 4.14Å; H616-Y677 HydrophobicContact CB-CG 3.72Å; H616-Y677 AromaticContact CG-CG 3.77Å | ||
| 617 | V | 88.4 | Confident | 80.2 | Confident | 71 Ų | 71 | 36.6 Ų | 36.6 | 43% | 0.43 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -37.1 | -175.2 | 64.1 | 0 | 0 | 0 | 0 | 112.4 | I619 L701 K703 | V617-I619 VanDerWaalsContact C-N 3.35Å; V617-I619 PolarHBondContact O-N 3.43Å; V617-L701 HydrophobicContact CG2-CD1 3.96Å; V617-L701 HydrophobicContact CG2-CD2 4.23Å; V617-K703 WeakPolarHBondContact O-CE 3.29Å; V617-K703 WeakPolarHBondContact O-CG 3.45Å; V617-K703 PolarHBondContact O-NZ 3.41Å |
| 618 | N | 94.4 | Very high | 80.3 | Confident | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 21.3 | 177.8 | -52.1 | 111.1 | 0 | 0 | 0 | 114.6 | H616 Q670 Q673 C702 K703 I704 | H616-N618 VanDerWaalsContact C-N 3.27Å; H616-N618 PolarHBondContact CE1-OD1 3.26Å; H616-N618 PolarHBondContact ND1-N 2.93Å; H616-N618 PolarHBondContact O-N 2.98Å; N618-Q670 WeakPolarHBondContact CB-O 3.41Å; N618-Q670 WeakPolarHBondContact ND2-CB 3.49Å; N618-Q670 PolarHBondContact ND2-OE1 3.12Å; N618-Q670 VanDerWaalsContact ND2-OE1 3.09Å; N618-Q673 WeakPolarHBondContact OD1-CB 3.49Å; N618-C702 VanDerWaalsContact CA-O 3.31Å; N618-C702 WeakPolarHBondContact CA-O 3.3Å; N618-C702 WeakPolarHBondContact CB-O 3.13Å; N618-C702 PolarHBondContact ND2-O 2.97Å; N618-K703 WeakPolarHBondContact O-CA 3.45Å; N618-I704 PolarHBondContact O-N 2.57Å |
| 619 | I | 93.8 | Very high | 80.3 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -119.5 | 141.6 | 172.2 | -64.2 | -61.5 | 0 | 0 | 0 | 108 | L614 H616 V617 Q621 Y677 L678 K703 I704 F707 | L614-I619 HydrophobicContact CB-CG2 4.03Å; L614-I619 HydrophobicContact CD1-CG2 4.32Å; H616-I619 HydrophobicContact CB-CB 4.18Å; H616-I619 HydrophobicContact CB-CG1 3.8Å; H616-I619 PolarHBondContact O-N 3.36Å; H616-I619 VanDerWaalsContact O-N 3.09Å; V617-I619 VanDerWaalsContact C-N 3.35Å; V617-I619 PolarHBondContact O-N 3.43Å; I619-Q621 PolarHBondContact O-N 3.03Å; I619-Y677 HydrophobicContact CD1-CD1 4.47Å; I619-Y677 HydrophobicContact CG1-CD1 3.86Å; I619-Y677 HydrophobicContact CG1-CE1 4.17Å; I619-L678 HydrophobicContact CD1-CD1 4Å; I619-L678 HydrophobicContact CD1-CD2 3.96Å; I619-L678 HydrophobicContact CD1-CG 3.93Å; I619-K703 PolarHBondContact O-NZ 3.24Å; I619-I704 HydrophobicContact CD1-CB 4.06Å; I619-I704 HydrophobicContact CD1-CD1 4.38Å; I619-F707 HydrophobicContact CD1-CE1 4.36Å; I619-F707 HydrophobicContact CD1-CZ 4.09Å; I619-F707 HydrophobicContact CG2-CE1 4.41Å; I619-F707 HydrophobicContact CG2-CE2 4.14Å; I619-F707 HydrophobicContact CG2-CZ 3.66Å |
| 620 | V | 93.1 | Very high | 80.5 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.024 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -65.6 | 124.3 | 169.7 | 168.4 | 0 | 0 | 0 | 0 | 109.1 | H611 Y622 M638 E639 V641 L694 K703 I704 | H611-V620 PolarHBondContact NE2-O 2.8Å; V620-Y622 PolarHBondContact O-N 3.42Å; V620-M638 HydrophobicContact CG1-CB 3.93Å; V620-M638 HydrophobicContact CG1-CG 4.39Å; V620-M638 HydrophobicContact CG1-SD 4.28Å; V620-E639 HydrophobicContact CG1-CG 4.2Å; V620-V641 HydrophobicContact CG2-CG2 4.07Å; V620-L694 HydrophobicContact CG2-CD1 3.95Å; V620-K703 HydrophobicContact CG2-CB 3.79Å; V620-I704 WeakPolarHBondContact CG2-O 3.47Å; V620-I704 PolarHBondContact N-O 3.46Å |
| 621 | Q | 85.6 | Confident | 80.4 | Confident | 54 Ų | 54 | 50.2 Ų | 50.2 | 25% | 0.252 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -75 | 120.4 | -177 | -174.3 | 57.5 | 73 | 0 | 0 | 110.9 | I619 L623 M638 E639 | I619-Q621 PolarHBondContact O-N 3.03Å; Q621-L623 HydrophobicContact CG-CD2 4.21Å; Q621-M638 CarbonylContact O-C 3.6Å; Q621-M638 WeakPolarHBondContact O-CA 3.32Å; Q621-E639 HydrophobicContact CB-CB 4.35Å; Q621-E639 HydrophobicContact CB-CG 4.15Å; Q621-E639 VanDerWaalsContact CB-OE1 3.24Å; Q621-E639 WeakPolarHBondContact CB-OE1 3.25Å; Q621-E639 PolarHBondContact N-OE1 2.96Å; Q621-E639 PolarHBondContact O-N 2.88Å |
| 622 | Y | 84.4 | Confident | 80 | Confident | 37 Ų | 37 | 55.8 Ų | 55.8 | 15% | 0.145 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 136.8 | 163.4 | 176 | -86.9 | 0 | 0 | 0 | 110.1 | I608 H611 V620 G624 C625 I636 | I608-Y622 HydrophobicContact CG2-CE2 4.21Å; H611-Y622 HydrophobicContact CB-CD2 4.36Å; V620-Y622 PolarHBondContact O-N 3.42Å; Y622-G624 WeakPolarHBondContact CE2-O 3.22Å; Y622-G624 VanDerWaalsContact CZ-C 3.42Å; Y622-C625 PolarHBondContact OH-N 3.05Å; Y622-C625 PolarHBondContact OH-SG 3.22Å; Y622-C625 VanDerWaalsContact OH-SG 3.41Å; Y622-I636 HydrophobicContact CD2-CG2 3.89Å; Y622-I636 HydrophobicContact CE2-CG2 3.84Å |
| 623 | L | 81.2 | Confident | 80.2 | Confident | 78 Ų | 78 | 55.4 Ų | 55.4 | 41% | 0.408 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | -36.3 | 178.3 | -57.4 | 179 | 0 | 0 | 0 | 112.5 | I553 I588 Q621 F637 M638 | I553-L623 HydrophobicContact CD1-CB 4.2Å; I588-L623 HydrophobicContact CB-CD1 4.33Å; I588-L623 HydrophobicContact CG2-CD1 3.64Å; Q621-L623 HydrophobicContact CG-CD2 4.21Å; L623-F637 HydrophobicContact CB-CB 4.06Å; L623-F637 PolarHBondContact N-O 3.31Å; L623-M638 VanDerWaalsContact CD1-C 3.46Å; L623-M638 WeakPolarHBondContact CD1-O 3.42Å |
| 624 | G | 78.4 | Confident | 80.5 | Confident | 13 Ų | 13 | 53.4 Ų | 53.4 | 13% | 0.134 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.8 | -176.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113 | Y622 F637 | Y622-G624 WeakPolarHBondContact CE2-O 3.22Å; Y622-G624 VanDerWaalsContact CZ-C 3.42Å; G624-F637 PolarHBondContact N-O 3.41Å; G624-F637 PolarHBondContact O-N 2.85Å |
| 625 | C | 80.6 | Confident | 80.9 | Confident | 24 Ų | 24 | 55.1 Ų | 55.1 | 16% | 0.162 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 152.8 | 170.8 | 66.4 | 0 | 0 | 0 | 0 | 111.4 | I608 Y622 R635 | I608-C625 HydrophobicContact CD1-CB 4.08Å; Y622-C625 PolarHBondContact OH-N 3.05Å; Y622-C625 PolarHBondContact OH-SG 3.22Å; Y622-C625 VanDerWaalsContact OH-SG 3.41Å; C625-R635 CarbonylContact C-O 3.54Å; C625-R635 WeakPolarHBondContact CA-O 3.43Å; C625-R635 WeakPolarHBondContact CB-O 3.38Å |
| 626 | E | 78.8 | Confident | 81 | Confident | 49 Ų | 49 | 47.3 Ų | 47.3 | 23% | 0.229 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 174.2 | 170.4 | 69.4 | 170.2 | -151.4 | 0 | 0 | 112.2 | Y555 R635 F637 | Y555-E626 WeakPolarHBondContact CE1-OE1 3.25Å; Y555-E626 PolarHBondContact OH-OE1 3.06Å; E626-R635 HydrophobicContact CG-CB 3.79Å; E626-R635 HydrophobicContact CG-CG 4.08Å; E626-R635 PolarHBondContact N-O 3.36Å; E626-R635 PolarHBondContact O-N 2.95Å; E626-R635 WeakPolarHBondContact OE1-CD 3.43Å; E626-R635 IonicContact OE1-CZ 3.42Å; E626-R635 IonicContact OE1-NE 3.49Å; E626-R635 IonicContact OE1-NH1 2.68Å; E626-R635 PolarHBondContact OE1-NH1 3.44Å; E626-F637 HydrophobicContact CB-CE2 4.02Å; E626-F637 HydrophobicContact CB-CZ 4.47Å; E626-F637 HydrophobicContact CG-CE2 3.66Å; E626-F637 HydrophobicContact CG-CZ 3.67Å |
| 627 | V | 74.3 | Confident | 80.9 | Confident | 43 Ų | 43 | 44.8 Ų | 44.8 | 26% | 0.261 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 139.6 | 169.4 | -160.4 | 0 | 0 | 0 | 0 | 107.4 | F527 L530 F634 | F527-V627 HydrophobicContact CD2-CG2 4.23Å; F527-V627 HydrophobicContact CE2-CG2 3.71Å; F527-V627 HydrophobicContact CZ-CG2 4.31Å; L530-V627 HydrophobicContact CD2-CG1 4Å; V627-F634 HydrophobicContact CB-CD1 4.25Å; V627-F634 HydrophobicContact CB-CE1 4.13Å; V627-F634 HydrophobicContact CG1-CD1 3.92Å; V627-F634 HydrophobicContact CG1-CD2 4.48Å; V627-F634 HydrophobicContact CG1-CE1 3.62Å; V627-F634 HydrophobicContact CG1-CE2 4.21Å; V627-F634 HydrophobicContact CG1-CG 4.34Å; V627-F634 HydrophobicContact CG1-CZ 3.79Å; V627-F634 HydrophobicContact CG2-CD1 3.65Å; V627-F634 HydrophobicContact CG2-CE1 3.4Å; V627-F634 VanDerWaalsContact CG2-CE1 3.4Å; V627-F634 HydrophobicContact CG2-CZ 4.33Å |
| 628 | S | 74.8 | Confident | 80.9 | Confident | 10 Ų | 10 | 42.2 Ų | 42.2 | 7% | 0.07 | 21% | 0.21 | C | C | . | . | trans | -59.6 | 155.1 | 173.9 | 59.4 | 0 | 0 | 0 | 0 | 112.1 | D630 Q631 K632 V633 | S628-D630 VanDerWaalsContact CB-OD1 3.26Å; S628-D630 WeakPolarHBondContact CB-OD1 3.39Å; S628-D630 PolarHBondContact O-N 2.93Å; S628-D630 PolarHBondContact OG-OD1 2.75Å; S628-Q631 WeakPolarHBondContact O-CA 3.3Å; S628-Q631 PolarHBondContact O-N 3.38Å; S628-K632 PolarHBondContact OG-N 3.43Å; S628-V633 PolarHBondContact N-O 2.78Å; S628-V633 PolarHBondContact OG-N 2.69Å; S628-V633 PolarHBondContact OG-O 3.37Å | ||
| 629 | E | 68.9 | Low | 80.6 | Confident | 202 Ų | 202 | 44.6 Ų | 44.6 | 94% | 0.944 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -33.4 | 178.9 | -62.8 | -174.1 | 151.2 | 0 | 0 | 112.8 | Q631 | E629-Q631 PolarHBondContact O-N 2.77Š|
| 630 | D | 70.6 | Confident | 80.4 | Confident | 90 Ų | 90 | 46.6 Ų | 46.6 | 48% | 0.481 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 3.3 | 175.6 | 81 | -32.7 | 0 | 0 | 0 | 113.9 | S628 K632 | S628-D630 VanDerWaalsContact CB-OD1 3.26Å; S628-D630 WeakPolarHBondContact CB-OD1 3.39Å; S628-D630 PolarHBondContact O-N 2.93Å; S628-D630 PolarHBondContact OG-OD1 2.75Å; D630-K632 PolarHBondContact O-N 2.73Å; D630-K632 WeakPolarHBondContact OD2-CD 3.21Å |
| 631 | Q | 66 | Low | 80.1 | Confident | 66 Ų | 66 | 46.9 Ų | 46.9 | 31% | 0.308 | 23% | 0.233 | S | C | . | . | S | Bend | trans | 64.1 | 13.1 | 172.8 | -57.8 | -173.7 | -11.5 | 0 | 0 | 116.3 | L530 S628 E629 | L530-Q631 HydrophobicContact CD2-CB 3.69Å; L530-Q631 HydrophobicContact CD2-CG 3.79Å; L530-Q631 HydrophobicContact CG-CB 4.29Å; L530-Q631 HydrophobicContact CG-CG 4.1Å; S628-Q631 WeakPolarHBondContact O-CA 3.3Å; S628-Q631 PolarHBondContact O-N 3.38Å; E629-Q631 PolarHBondContact O-N 2.77Å |
| 632 | K | 70.7 | Confident | 79.7 | Confident | 118 Ų | 118 | 46.7 Ų | 46.7 | 51% | 0.513 | 24% | 0.236 | S | C | . | . | trans | -100.9 | -27.8 | -176.6 | -68.6 | 174.7 | -165.5 | 163.5 | 0 | 114.9 | V595 S628 D630 | V595-K632 PolarHBondContact N-O 2.68Å; S628-K632 PolarHBondContact OG-N 3.43Å; D630-K632 PolarHBondContact O-N 2.73Å; D630-K632 WeakPolarHBondContact OD2-CD 3.21Å | ||
| 633 | V | 78 | Confident | 79.6 | Confident | 30 Ų | 30 | 46.5 Ų | 46.5 | 18% | 0.182 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 119.4 | -173.7 | -176.4 | 0 | 0 | 0 | 0 | 109.6 | E592 L593 S628 R635 | E592-V633 HydrophobicContact CB-CG1 3.9Å; E592-V633 HydrophobicContact CG-CG1 3.99Å; L593-V633 WeakPolarHBondContact O-CA 3.38Å; S628-V633 PolarHBondContact N-O 2.78Å; S628-V633 PolarHBondContact OG-N 2.69Å; S628-V633 PolarHBondContact OG-O 3.37Å; V633-R635 HydrophobicContact CG1-CG 4.36Å |
| 634 | F | 78 | Confident | 79.9 | Confident | 7 Ų | 7 | 43.9 Ų | 43.9 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 140.7 | 172.6 | -70.2 | -92.6 | 0 | 0 | 0 | 109.9 | F527 E592 L593 V595 L604 V627 | F527-F634 HydrophobicContact CD1-CD1 4.37Å; F527-F634 AromaticContact CD1-CE1 3.63Å; F527-F634 HydrophobicContact CD1-CE1 3.63Å; F527-F634 HydrophobicContact CD1-CZ 4.23Å; F527-F634 AromaticContact CD2-CE1 4Å; F527-F634 HydrophobicContact CD2-CE1 4Å; F527-F634 AromaticContact CE1-CD1 3.52Å; F527-F634 HydrophobicContact CE1-CD1 3.52Å; F527-F634 AromaticContact CE1-CE1 3.22Å; F527-F634 HydrophobicContact CE1-CE1 3.22Å; F527-F634 HydrophobicContact CE1-CZ 4.14Å; F527-F634 HydrophobicContact CE2-CD1 4.02Å; F527-F634 AromaticContact CE2-CE1 3.64Å; F527-F634 HydrophobicContact CE2-CE1 3.64Å; F527-F634 HydrophobicContact CG-CE1 4.03Å; F527-F634 AromaticContact CZ-CD1 3.33Å; F527-F634 HydrophobicContact CZ-CD1 3.33Å; F527-F634 AromaticContact CZ-CE1 3.26Å; F527-F634 HydrophobicContact CZ-CE1 3.26Å; F527-F634 HydrophobicContact CZ-CZ 4.49Å; E592-F634 CarbonylContact C-O 3.59Å; E592-F634 VanDerWaalsContact CA-O 3.31Å; E592-F634 WeakPolarHBondContact CA-O 2.78Å; L593-F634 PolarHBondContact N-O 2.84Å; L593-F634 PolarHBondContact O-N 2.89Å; V595-F634 HydrophobicContact CB-CD2 4.02Å; V595-F634 HydrophobicContact CB-CE2 3.76Å; V595-F634 HydrophobicContact CG1-CE2 4.37Å; V595-F634 HydrophobicContact CG2-CD2 3.4Å; V595-F634 VanDerWaalsContact CG2-CD2 3.4Å; V595-F634 HydrophobicContact CG2-CE2 3.43Å; V595-F634 VanDerWaalsContact CG2-CE2 3.43Å; L604-F634 HydrophobicContact CD2-CB 3.36Å; L604-F634 HydrophobicContact CD2-CD1 3.75Å; L604-F634 HydrophobicContact CD2-CD2 3.79Å; L604-F634 HydrophobicContact CD2-CG 3.33Å; V627-F634 HydrophobicContact CB-CD1 4.25Å; V627-F634 HydrophobicContact CB-CE1 4.13Å; V627-F634 HydrophobicContact CG1-CD1 3.92Å; V627-F634 HydrophobicContact CG1-CD2 4.48Å; V627-F634 HydrophobicContact CG1-CE1 3.62Å; V627-F634 HydrophobicContact CG1-CE2 4.21Å; V627-F634 HydrophobicContact CG1-CG 4.34Å; V627-F634 HydrophobicContact CG1-CZ 3.79Å; V627-F634 HydrophobicContact CG2-CD1 3.65Å; V627-F634 HydrophobicContact CG2-CE1 3.4Å; V627-F634 VanDerWaalsContact CG2-CE1 3.4Å; V627-F634 HydrophobicContact CG2-CZ 4.33Å |
| 635 | R | 85 | Confident | 80.7 | Confident | 39 Ų | 39 | 44 Ų | 44 | 15% | 0.147 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 130.5 | -178.3 | -48 | -164.5 | 174 | 103.9 | -2.9 | 110.5 | Y555 I590 K591 E592 C625 E626 V633 | Y555-R635 WeakPolarHBondContact OH-CD 3.46Å; Y555-R635 VanDerWaalsContact OH-CZ 3.29Å; Y555-R635 PolarHBondContact OH-NE 2.96Å; Y555-R635 PolarHBondContact OH-NH1 3.02Å; I590-R635 HydrophobicContact CG2-CB 4.09Å; I590-R635 HydrophobicContact CG2-CG 4.49Å; K591-R635 WeakPolarHBondContact O-CA 3.48Å; E592-R635 HydrophobicContact CG-CG 4.15Å; E592-R635 IonicContact OE1-CZ 3.72Å; E592-R635 IonicContact OE1-NE 2.83Å; E592-R635 PolarHBondContact OE1-NE 2.78Å; E592-R635 IonicContact OE1-NH2 2.7Å; E592-R635 PolarHBondContact OE1-NH2 3.37Å; C625-R635 CarbonylContact C-O 3.54Å; C625-R635 WeakPolarHBondContact CA-O 3.43Å; C625-R635 WeakPolarHBondContact CB-O 3.38Å; E626-R635 HydrophobicContact CG-CB 3.79Å; E626-R635 HydrophobicContact CG-CG 4.08Å; E626-R635 PolarHBondContact N-O 3.36Å; E626-R635 PolarHBondContact O-N 2.95Å; E626-R635 WeakPolarHBondContact OE1-CD 3.43Å; E626-R635 IonicContact OE1-CZ 3.42Å; E626-R635 IonicContact OE1-NE 3.49Å; E626-R635 IonicContact OE1-NH1 2.68Å; E626-R635 PolarHBondContact OE1-NH1 3.44Å; V633-R635 HydrophobicContact CG1-CG 4.36Å |
| 636 | I | 85.4 | Confident | 81.4 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 123.1 | 170.8 | -52 | 178 | 0 | 0 | 0 | 108.1 | I590 K591 L593 L604 E607 I608 Y622 M638 | I590-I636 WeakPolarHBondContact CA-O 3.49Å; K591-I636 HydrophobicContact CB-CB 4.32Å; K591-I636 PolarHBondContact N-O 2.81Å; K591-I636 PolarHBondContact O-N 2.85Å; L593-I636 HydrophobicContact CD1-CD1 4.38Å; L593-I636 HydrophobicContact CD1-CG1 4.48Å; L604-I636 HydrophobicContact CD1-CD1 3.84Å; L604-I636 HydrophobicContact CD1-CG1 4.27Å; E607-I636 HydrophobicContact CG-CD1 4.33Å; I608-I636 HydrophobicContact CD1-CD1 4.38Å; I608-I636 HydrophobicContact CD1-CG1 4.21Å; I608-I636 HydrophobicContact CG1-CD1 3.73Å; I608-I636 HydrophobicContact CG1-CG1 3.92Å; Y622-I636 HydrophobicContact CD2-CG2 3.89Å; Y622-I636 HydrophobicContact CE2-CG2 3.84Å; I636-M638 HydrophobicContact CG2-CG 4.16Å |
| 637 | F | 87.9 | Confident | 82.2 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.009 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 130.3 | 177.1 | -57.3 | -72.7 | 0 | 0 | 0 | 110.3 | I553 Y555 I588 I590 L623 G624 E626 | I553-F637 HydrophobicContact CB-CE2 4.48Å; I553-F637 HydrophobicContact CD1-CB 3.92Å; I553-F637 HydrophobicContact CD1-CD2 3.85Å; I553-F637 HydrophobicContact CD1-CG 3.94Å; Y555-F637 AromaticContact CD1-CE1 3.62Å; Y555-F637 HydrophobicContact CD1-CE1 3.62Å; Y555-F637 AromaticContact CD1-CZ 3.66Å; Y555-F637 HydrophobicContact CD1-CZ 3.66Å; Y555-F637 HydrophobicContact CD2-CE1 4.29Å; Y555-F637 AromaticContact CE1-CE1 3.69Å; Y555-F637 HydrophobicContact CE1-CE1 3.69Å; Y555-F637 AromaticContact CE1-CZ 3.46Å; Y555-F637 HydrophobicContact CE1-CZ 3.46Å; Y555-F637 VanDerWaalsContact CE1-CZ 3.46Å; Y555-F637 HydrophobicContact CE2-CE1 4.33Å; Y555-F637 AromaticContact CG-CE1 3.96Å; Y555-F637 HydrophobicContact CG-CE1 3.96Å; Y555-F637 HydrophobicContact CG-CZ 4.45Å; I588-F637 HydrophobicContact CD1-CD1 3.84Å; I588-F637 HydrophobicContact CD1-CE1 4.35Å; I590-F637 HydrophobicContact CD1-CE1 4.37Å; I590-F637 HydrophobicContact CG1-CD1 4.03Å; I590-F637 HydrophobicContact CG1-CE1 4.21Å; I590-F637 HydrophobicContact CG2-CD1 4.37Å; I590-F637 HydrophobicContact CG2-CE1 4.2Å; L623-F637 HydrophobicContact CB-CB 4.06Å; L623-F637 PolarHBondContact N-O 3.31Å; G624-F637 PolarHBondContact N-O 3.41Å; G624-F637 PolarHBondContact O-N 2.85Å; E626-F637 HydrophobicContact CB-CE2 4.02Å; E626-F637 HydrophobicContact CB-CZ 4.47Å; E626-F637 HydrophobicContact CG-CE2 3.66Å; E626-F637 HydrophobicContact CG-CZ 3.67Å |
| 638 | M | 90 | Very high | 83 | Confident | 17 Ų | 17 | 42 Ų | 42 | 8% | 0.084 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 162.2 | -177.7 | -61.1 | 172.1 | -74 | 0 | 0 | 110.5 | V576 I588 A589 K591 V620 Q621 L623 I636 | V576-M638 HydrophobicContact CG1-CE 4.37Å; I588-M638 WeakPolarHBondContact CA-O 3.44Å; A589-M638 HydrophobicContact CB-CB 4.32Å; A589-M638 HydrophobicContact CB-CE 4.41Å; A589-M638 PolarHBondContact N-O 3.42Å; A589-M638 PolarHBondContact O-N 3.47Å; K591-M638 HydrophobicContact CB-CE 3.65Å; K591-M638 HydrophobicContact CD-CE 4.47Å; V620-M638 HydrophobicContact CG1-CB 3.93Å; V620-M638 HydrophobicContact CG1-CG 4.39Å; V620-M638 HydrophobicContact CG1-SD 4.28Å; Q621-M638 CarbonylContact O-C 3.6Å; Q621-M638 WeakPolarHBondContact O-CA 3.32Å; L623-M638 VanDerWaalsContact CD1-C 3.46Å; L623-M638 WeakPolarHBondContact CD1-O 3.42Å; I636-M638 HydrophobicContact CG2-CG 4.16Å |
| 639 | E | 87.5 | Confident | 83.8 | Confident | 52 Ų | 52 | 42.1 Ų | 42.1 | 24% | 0.243 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 138.6 | 170.2 | 75 | -176 | 128.6 | 0 | 0 | 111.4 | V620 Q621 V641 K703 | V620-E639 HydrophobicContact CG1-CG 4.2Å; Q621-E639 HydrophobicContact CB-CB 4.35Å; Q621-E639 HydrophobicContact CB-CG 4.15Å; Q621-E639 VanDerWaalsContact CB-OE1 3.24Å; Q621-E639 WeakPolarHBondContact CB-OE1 3.25Å; Q621-E639 PolarHBondContact N-OE1 2.96Å; Q621-E639 PolarHBondContact O-N 2.88Å; E639-V641 HydrophobicContact CG-CG2 4.25Å; E639-K703 VanDerWaalsContact CD-CE 3.5Å; E639-K703 WeakPolarHBondContact OE1-CD 3.4Å; E639-K703 WeakPolarHBondContact OE1-CE 3.47Å; E639-K703 IonicContact OE1-NZ 3.53Å; E639-K703 PolarHBondContact OE1-NZ 2.68Å; E639-K703 VanDerWaalsContact OE2-CE 3.25Å; E639-K703 WeakPolarHBondContact OE2-CE 3.43Å; E639-K703 IonicContact OE2-NZ 3.22Å; E639-K703 PolarHBondContact OE2-NZ 3.4Å |
| 640 | L | 89.7 | Confident | 85 | Confident | 44 Ų | 44 | 32.7 Ų | 32.7 | 23% | 0.23 | 18% | 0.18 | C | C | . | . | trans | -78.5 | 124.7 | 167.3 | -175.2 | 64.9 | 0 | 0 | 0 | 109.6 | L568 M587 A589 P642 | L568-L640 HydrophobicContact CD1-CD1 3.33Å; L568-L640 HydrophobicContact CD2-CD1 3.95Å; L568-L640 HydrophobicContact CG-CD1 4.3Å; M587-L640 HydrophobicContact CB-CB 4.09Å; M587-L640 HydrophobicContact CB-CD2 3.51Å; M587-L640 HydrophobicContact CB-CG 4.43Å; M587-L640 HydrophobicContact CG-CD2 4.29Å; A589-L640 HydrophobicContact CB-CD1 4.38Å; L640-P642 WeakPolarHBondContact O-CD 3.23Å | ||
| 641 | V | 87.4 | Confident | 86 | Confident | 9 Ų | 9 | 36.7 Ų | 36.7 | 6% | 0.055 | 19% | 0.189 | C | C | . | . | trans | -94.1 | 109.4 | 175.5 | -176.2 | 0 | 0 | 0 | 0 | 109.8 | V620 E639 G643 L694 N696 K703 | V620-V641 HydrophobicContact CG2-CG2 4.07Å; E639-V641 HydrophobicContact CG-CG2 4.25Å; V641-G643 PolarHBondContact O-N 2.98Å; V641-L694 HydrophobicContact CB-CB 3.78Å; V641-L694 HydrophobicContact CB-CD1 3.95Å; V641-L694 HydrophobicContact CG1-CB 3.74Å; V641-L694 HydrophobicContact CG2-CB 4.03Å; V641-L694 HydrophobicContact CG2-CD1 3.86Å; V641-N696 HydrophobicContact CG1-CB 4.06Å; V641-K703 HydrophobicContact CG2-CB 4.44Å; V641-K703 HydrophobicContact CG2-CD 3.77Å | ||
| 642 | P | 76.9 | Confident | 87.2 | Confident | 50 Ų | 50 | 38.2 Ų | 38.2 | 33% | 0.325 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 99.8 | -171.2 | 31.5 | -35.8 | 0 | 0 | 0 | 111.7 | L640 N696 T697 Y698 | L640-P642 WeakPolarHBondContact O-CD 3.23Å; P642-N696 HydrophobicContact CG-CB 4.49Å; P642-N696 WeakPolarHBondContact O-CA 3.31Å; P642-T697 PolarHBondContact O-N 3.19Å; P642-T697 PolarHBondContact O-OG1 3.06Å; P642-Y698 HydrophobicContact CB-CD2 3.97Å; P642-Y698 HydrophobicContact CB-CE2 3.94Å; P642-Y698 HydrophobicContact CG-CD2 4.01Å; P642-Y698 HydrophobicContact CG-CE2 4.48Å |
| 643 | G | 81.1 | Confident | 88 | Confident | 33 Ų | 33 | 40.6 Ų | 40.6 | 34% | 0.34 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 156.1 | -32.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V641 V695 | V641-G643 PolarHBondContact O-N 2.98Å; G643-V695 WeakPolarHBondContact CA-O 3.37Å |
| 644 | G | 88.7 | Confident | 88.6 | Confident | 23 Ų | 23 | 43 Ų | 43 | 24% | 0.237 | 22% | 0.215 | C | C | . | . | trans | 92.6 | -165.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L694 V695 | G644-L694 CarbonylContact O-C 3.51Å; G644-L694 WeakPolarHBondContact O-CA 3.02Å; G644-V695 PolarHBondContact O-N 3.22Å | ||
| 645 | S | 94.2 | Very high | 89.3 | Confident | 15 Ų | 15 | 43.9 Ų | 43.9 | 11% | 0.105 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -75.5 | 153.7 | -177.6 | 75.7 | 0 | 0 | 0 | 0 | 113.2 | S647 L648 L649 G690 D691 V693 | S645-S647 VanDerWaalsContact C-N 3.31Å; S645-S647 PolarHBondContact O-N 3.47Å; S645-L648 PolarHBondContact O-N 3.07Å; S645-L648 WeakPolarHBondContact OG-CB 3.32Å; S645-L648 PolarHBondContact OG-N 2.94Å; S645-L649 WeakPolarHBondContact O-CG 3.47Å; S645-L649 PolarHBondContact O-N 2.88Å; S645-G690 WeakPolarHBondContact CB-O 3.49Å; S645-D691 WeakPolarHBondContact CB-O 3.47Å; S645-D691 PolarHBondContact OG-OD1 3.43Å; S645-V693 CarbonylContact C-O 3.46Å |
| 646 | L | 95.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.4 | -44.2 | 175.6 | 176.1 | 63.4 | 0 | 0 | 0 | 110.9 | L648 L649 L650 W654 I671 G690 V693 V695 T754 M758 | L646-L648 PolarHBondContact O-N 2.85Å; L646-L649 PolarHBondContact O-N 2.99Å; L646-L650 HydrophobicContact CD1-CD1 4.21Å; L646-L650 HydrophobicContact CD1-CG 4.34Å; L646-L650 HydrophobicContact CG-CD1 4Å; L646-L650 WeakPolarHBondContact O-CB 3.21Å; L646-L650 VanDerWaalsContact O-CG 3.26Å; L646-L650 WeakPolarHBondContact O-CG 3.24Å; L646-L650 PolarHBondContact O-N 3.28Å; L646-W654 HydrophobicContact CD1-CE3 4.36Å; L646-W654 HydrophobicContact CD1-CH2 4.38Å; L646-W654 HydrophobicContact CD1-CZ3 3.56Å; L646-I671 HydrophobicContact CD2-CD1 4.35Å; L646-G690 WeakPolarHBondContact CB-O 3.26Å; L646-G690 PolarHBondContact N-O 3.42Å; L646-V693 HydrophobicContact CB-CB 4.22Å; L646-V693 HydrophobicContact CB-CG1 4.37Å; L646-V693 WeakPolarHBondContact CB-O 3.41Å; L646-V693 HydrophobicContact CD2-CB 4.39Å; L646-V693 HydrophobicContact CD2-CG1 4.33Å; L646-V693 PolarHBondContact N-O 3.46Å; L646-V695 HydrophobicContact CB-CG2 4.4Å; L646-V695 HydrophobicContact CD1-CG2 4.39Å; L646-T754 HydrophobicContact CD2-CG2 3.86Å; L646-M758 HydrophobicContact CD1-CG 4.12Å; L646-M758 HydrophobicContact CD1-SD 4.29Å; L646-M758 HydrophobicContact CD2-CG 3.83Å; L646-M758 HydrophobicContact CD2-SD 3.97Å; L646-M758 HydrophobicContact CG-CG 4.28Å |
| 647 | S | 94.5 | Very high | 90.1 | Very high | 10 Ų | 10 | 46.5 Ų | 46.5 | 7% | 0.07 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.7 | -40.4 | 176.2 | -54.4 | 0 | 0 | 0 | 0 | 112.5 | S645 R651 G690 D691 E757 | S645-S647 VanDerWaalsContact C-N 3.31Å; S645-S647 PolarHBondContact O-N 3.47Å; S647-R651 WeakPolarHBondContact O-CB 3.37Å; S647-R651 PolarHBondContact O-N 3.02Å; S647-G690 PolarHBondContact N-O 3.36Å; S647-G690 WeakPolarHBondContact OG-CA 3.44Å; S647-D691 WeakPolarHBondContact CB-OD1 3.31Å; S647-D691 PolarHBondContact OG-N 3.2Å; S647-E757 VanDerWaalsContact CB-OE1 3.29Å; S647-E757 WeakPolarHBondContact CB-OE1 3.43Å; S647-E757 VanDerWaalsContact OG-CD 3.29Å; S647-E757 PolarHBondContact OG-OE1 2.99Å; S647-E757 PolarHBondContact OG-OE2 3.14Å |
| 648 | L | 91.9 | Very high | 90.3 | Very high | 65 Ų | 65 | 47.8 Ų | 47.8 | 34% | 0.34 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.8 | -40.7 | 176.8 | -174.6 | 67 | 0 | 0 | 0 | 111.7 | S645 L646 R651 N652 | S645-L648 PolarHBondContact O-N 3.07Å; S645-L648 WeakPolarHBondContact OG-CB 3.32Å; S645-L648 PolarHBondContact OG-N 2.94Å; L646-L648 PolarHBondContact O-N 2.85Å; L648-R651 VanDerWaalsContact CD1-NH2 3.33Å; L648-N652 WeakPolarHBondContact CD1-ND2 3.48Å; L648-N652 VanDerWaalsContact O-CB 3.25Å; L648-N652 WeakPolarHBondContact O-CB 3.42Å; L648-N652 PolarHBondContact O-N 3.42Å |
| 649 | L | 92.2 | Very high | 90.3 | Very high | 13 Ų | 13 | 52.9 Ų | 52.9 | 7% | 0.068 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68 | -43.7 | 177.5 | -71.9 | 165.7 | 0 | 0 | 0 | 111.9 | S645 L646 K653 W654 V695 T697 | S645-L649 WeakPolarHBondContact O-CG 3.47Å; S645-L649 PolarHBondContact O-N 2.88Å; L646-L649 PolarHBondContact O-N 2.99Å; L649-K653 HydrophobicContact CD2-CG 4.37Å; L649-K653 CarbonylContact O-C 3.56Å; L649-K653 WeakPolarHBondContact O-CA 3.43Å; L649-K653 WeakPolarHBondContact O-CB 3.21Å; L649-K653 PolarHBondContact O-N 2.9Å; L649-W654 HydrophobicContact CB-CD2 3.98Å; L649-W654 HydrophobicContact CB-CE3 4.1Å; L649-W654 HydrophobicContact CB-CH2 4.26Å; L649-W654 HydrophobicContact CB-CZ2 4.13Å; L649-W654 HydrophobicContact CB-CZ3 4.25Å; L649-W654 HydrophobicContact CD1-CH2 3.93Å; L649-W654 HydrophobicContact CD1-CZ2 3.85Å; L649-W654 HydrophobicContact CG-CZ2 4.4Å; L649-W654 PolarHBondContact O-N 3.18Å; L649-V695 HydrophobicContact CD1-CB 3.69Å; L649-V695 HydrophobicContact CD1-CG1 4.41Å; L649-V695 HydrophobicContact CD1-CG2 4.15Å; L649-T697 HydrophobicContact CD1-CG2 3.85Å; L649-T697 HydrophobicContact CD2-CG2 3.85Å |
| 650 | L | 94.2 | Very high | 90.4 | Very high | 3 Ų | 3 | 53.7 Ų | 53.7 | 2% | 0.016 | 29% | 0.287 | C | S | . | . | I | π-helix | trans | -57.9 | -49.7 | 173.1 | -71 | 166 | 0 | 0 | 0 | 111.2 | L646 W654 G655 L657 E757 M758 | L646-L650 HydrophobicContact CD1-CD1 4.21Å; L646-L650 HydrophobicContact CD1-CG 4.34Å; L646-L650 HydrophobicContact CG-CD1 4Å; L646-L650 WeakPolarHBondContact O-CB 3.21Å; L646-L650 VanDerWaalsContact O-CG 3.26Å; L646-L650 WeakPolarHBondContact O-CG 3.24Å; L646-L650 PolarHBondContact O-N 3.28Å; L650-W654 HydrophobicContact CD2-CE3 4.12Å; L650-W654 HydrophobicContact CG-CE3 4.39Å; L650-G655 WeakPolarHBondContact CD2-O 3.29Å; L650-G655 VanDerWaalsContact O-CA 3.25Å; L650-G655 WeakPolarHBondContact O-CA 3.42Å; L650-G655 PolarHBondContact O-N 3.4Å; L650-L657 HydrophobicContact CD2-CD1 3.92Å; L650-L657 HydrophobicContact CD2-CG 3.85Å; L650-E757 HydrophobicContact CD1-CG 3.96Å; L650-M758 HydrophobicContact CD1-CG 4.27Å |
| 651 | R | 92 | Very high | 90.5 | Very high | 175 Ų | 175 | 53.2 Ų | 53.2 | 66% | 0.66 | 28% | 0.284 | S | S | * | . | I | π-helix | trans | -67.2 | -40.1 | -178.2 | -173.7 | 175.5 | 62.1 | -149 | -4.6 | 113.8 | S647 L648 | S647-R651 WeakPolarHBondContact O-CB 3.37Å; S647-R651 PolarHBondContact O-N 3.02Å; L648-R651 VanDerWaalsContact CD1-NH2 3.33Å |
| 652 | N | 89.2 | Confident | 90.4 | Very high | 97 Ų | 97 | 57.3 Ų | 57.3 | 52% | 0.519 | 31% | 0.305 | S | S | . | . | I | π-helix | trans | -107.3 | -13.7 | -167.1 | -64 | 10.9 | 0 | 0 | 0 | 114.7 | L648 | L648-N652 WeakPolarHBondContact CD1-ND2 3.48Å; L648-N652 VanDerWaalsContact O-CB 3.25Å; L648-N652 WeakPolarHBondContact O-CB 3.42Å; L648-N652 PolarHBondContact O-N 3.42Å |
| 653 | K | 89.6 | Confident | 91 | Very high | 168 Ų | 168 | 56.7 Ų | 56.7 | 73% | 0.73 | 30% | 0.302 | S | S | * | . | I | π-helix | trans | -137.7 | -48 | -171.5 | -65.4 | -65.2 | 177.7 | -174.9 | 0 | 115 | L649 | L649-K653 HydrophobicContact CD2-CG 4.37Å; L649-K653 CarbonylContact O-C 3.56Å; L649-K653 WeakPolarHBondContact O-CA 3.43Å; L649-K653 WeakPolarHBondContact O-CB 3.21Å; L649-K653 PolarHBondContact O-N 2.9Å |
| 654 | W | 90.3 | Very high | 91.6 | Very high | 81 Ų | 81 | 55.3 Ų | 55.3 | 31% | 0.307 | 29% | 0.287 | S | S | . | . | I | π-helix | trans | -95.4 | -32.2 | -169.7 | -59.3 | -17.5 | 0 | 0 | 0 | 113.6 | L646 L649 L650 L657 Y667 V695 T697 | L646-W654 HydrophobicContact CD1-CE3 4.36Å; L646-W654 HydrophobicContact CD1-CH2 4.38Å; L646-W654 HydrophobicContact CD1-CZ3 3.56Å; L649-W654 HydrophobicContact CB-CD2 3.98Å; L649-W654 HydrophobicContact CB-CE3 4.1Å; L649-W654 HydrophobicContact CB-CH2 4.26Å; L649-W654 HydrophobicContact CB-CZ2 4.13Å; L649-W654 HydrophobicContact CB-CZ3 4.25Å; L649-W654 HydrophobicContact CD1-CH2 3.93Å; L649-W654 HydrophobicContact CD1-CZ2 3.85Å; L649-W654 HydrophobicContact CG-CZ2 4.4Å; L649-W654 PolarHBondContact O-N 3.18Å; L650-W654 HydrophobicContact CD2-CE3 4.12Å; L650-W654 HydrophobicContact CG-CE3 4.39Å; W654-L657 HydrophobicContact CB-CD2 4.1Å; W654-L657 HydrophobicContact CE3-CD1 4.12Å; W654-Y667 HydrophobicContact CH2-CD2 4.27Å; W654-Y667 HydrophobicContact CH2-CE1 4.46Å; W654-Y667 AromaticContact CH2-CE2 3.42Å; W654-Y667 HydrophobicContact CH2-CE2 3.42Å; W654-Y667 VanDerWaalsContact CH2-CE2 3.42Å; W654-Y667 AromaticContact CH2-CZ 3.54Å; W654-Y667 WeakPolarHBondContact CH2-OH 3.48Å; W654-Y667 HydrophobicContact CZ2-CE2 4.27Å; W654-Y667 HydrophobicContact CZ3-CD2 4.16Å; W654-Y667 AromaticContact CZ3-CE2 3.65Å; W654-Y667 HydrophobicContact CZ3-CE2 3.65Å; W654-V695 HydrophobicContact CH2-CB 4.45Å; W654-V695 HydrophobicContact CH2-CG1 4.15Å; W654-V695 HydrophobicContact CH2-CG2 4.23Å; W654-T697 HydrophobicContact CZ2-CG2 4.49Å |
| 655 | G | 92 | Very high | 91.7 | Very high | 25 Ų | 25 | 54.3 Ų | 54.3 | 26% | 0.258 | 28% | 0.277 | S | S | . | . | trans | 67.2 | -161.5 | -168.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L650 L657 | L650-G655 WeakPolarHBondContact CD2-O 3.29Å; L650-G655 VanDerWaalsContact O-CA 3.25Å; L650-G655 WeakPolarHBondContact O-CA 3.42Å; L650-G655 PolarHBondContact O-N 3.4Å; G655-L657 PolarHBondContact O-N 3.12Å | ||
| 656 | P | 94 | Very high | 91.5 | Very high | 79 Ų | 79 | 55.9 Ų | 55.9 | 51% | 0.513 | 28% | 0.281 | S | S | . | . | trans | -66.1 | 126.5 | 176.1 | -16.8 | 30.9 | 0 | 0 | 0 | 111.8 | I658 A759 T760 | P656-I658 VanDerWaalsContact C-N 3.29Å; P656-I658 HydrophobicContact CB-CG2 4.35Å; P656-I658 PolarHBondContact O-N 3.13Å; P656-A759 VanDerWaalsContact CB-O 3.29Å; P656-A759 WeakPolarHBondContact CB-O 3.4Å; P656-T760 WeakPolarHBondContact CG-O 3.44Å | ||
| 657 | L | 93.4 | Very high | 91.4 | Very high | 15 Ų | 15 | 57 Ų | 57 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | trans | -87.6 | 11.5 | 177.8 | -59.6 | 177.8 | 0 | 0 | 0 | 113.8 | L650 W654 G655 D659 N660 I664 M758 A759 | L650-L657 HydrophobicContact CD2-CD1 3.92Å; L650-L657 HydrophobicContact CD2-CG 3.85Å; W654-L657 HydrophobicContact CB-CD2 4.1Å; W654-L657 HydrophobicContact CE3-CD1 4.12Å; G655-L657 PolarHBondContact O-N 3.12Å; L657-D659 PolarHBondContact O-N 3.22Å; L657-D659 VanDerWaalsContact O-N 3.16Å; L657-N660 CarbonylContact O-C 3.57Å; L657-N660 VanDerWaalsContact O-C 3.24Å; L657-N660 WeakPolarHBondContact O-CA 3.46Å; L657-N660 PolarHBondContact O-N 3.43Å; L657-I664 HydrophobicContact CB-CD1 4.01Å; L657-I664 HydrophobicContact CB-CG1 3.69Å; L657-I664 HydrophobicContact CD1-CG1 4.37Å; L657-I664 WeakPolarHBondContact O-CD1 3.37Å; L657-M758 VanDerWaalsContact CB-O 3.27Å; L657-M758 WeakPolarHBondContact CB-O 3.49Å; L657-M758 HydrophobicContact CD1-CB 4.39Å; L657-M758 PolarHBondContact N-O 3.21Å; L657-A759 PolarHBondContact N-O 3.4Å | ||
| 658 | I | 92.3 | Very high | 91.5 | Very high | 30 Ų | 30 | 56.5 Ų | 56.5 | 15% | 0.154 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -38 | -177.7 | -168.9 | 169.2 | 0 | 0 | 0 | 114.3 | P656 N660 A759 P788 K790 L791 | P656-I658 VanDerWaalsContact C-N 3.29Å; P656-I658 HydrophobicContact CB-CG2 4.35Å; P656-I658 PolarHBondContact O-N 3.13Å; I658-N660 VanDerWaalsContact C-N 3.32Å; I658-A759 WeakPolarHBondContact CB-O 3.34Å; I658-A759 PolarHBondContact N-O 3.45Å; I658-A759 VanDerWaalsContact N-O 3.08Å; I658-P788 HydrophobicContact CD1-CB 3.3Å; I658-P788 HydrophobicContact CD1-CG 4.17Å; I658-P788 HydrophobicContact CG1-CB 4.2Å; I658-K790 HydrophobicContact CD1-CB 3.8Å; I658-K790 HydrophobicContact CD1-CD 3.98Å; I658-K790 HydrophobicContact CD1-CG 4.19Å; I658-K790 HydrophobicContact CG1-CB 3.94Å; I658-K790 HydrophobicContact CG1-CD 4.31Å; I658-L791 HydrophobicContact CG1-CD2 4.09Å; I658-L791 HydrophobicContact CG1-CG 4.28Å |
| 659 | D | 88.9 | Confident | 91.7 | Very high | 124 Ų | 124 | 57.7 Ų | 57.7 | 66% | 0.663 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | 3.8 | 179.7 | -56.9 | -58.9 | 0 | 0 | 0 | 112.1 | L657 K790 | L657-D659 PolarHBondContact O-N 3.22Å; L657-D659 VanDerWaalsContact O-N 3.16Å; D659-K790 WeakPolarHBondContact OD1-CD 3.37Å; D659-K790 IonicContact OD1-NZ 3.51Å; D659-K790 PolarHBondContact OD1-NZ 2.71Å; D659-K790 IonicContact OD2-NZ 2.71Å; D659-K790 PolarHBondContact OD2-NZ 2.64Å |
| 660 | N | 89.3 | Confident | 91.8 | Very high | 68 Ų | 68 | 57.5 Ų | 57.5 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | trans | -134 | 66.7 | 178.5 | -176.7 | 4.6 | 0 | 0 | 0 | 111.8 | L657 I658 N662 S663 I664 | L657-N660 CarbonylContact O-C 3.57Å; L657-N660 VanDerWaalsContact O-C 3.24Å; L657-N660 WeakPolarHBondContact O-CA 3.46Å; L657-N660 PolarHBondContact O-N 3.43Å; I658-N660 VanDerWaalsContact C-N 3.32Å; N660-N662 PolarHBondContact O-N 3.08Å; N660-N662 VanDerWaalsContact O-N 3.14Å; N660-S663 PolarHBondContact ND2-OG 3.48Å; N660-S663 PolarHBondContact O-N 2.99Å; N660-S663 PolarHBondContact OD1-N 2.94Å; N660-I664 PolarHBondContact O-N 3.17Å | ||
| 661 | E | 92 | Very high | 91.9 | Very high | 35 Ų | 35 | 57.4 Ų | 57.4 | 16% | 0.164 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.2 | -24.6 | 175.4 | -77.7 | 179 | -142.4 | 0 | 0 | 114.2 | I664 A665 L791 S792 F821 | E661-I664 PolarHBondContact O-N 2.9Å; E661-A665 WeakPolarHBondContact O-CB 3.47Å; E661-A665 PolarHBondContact O-N 3.42Å; E661-L791 HydrophobicContact CG-CD2 4.01Å; E661-S792 VanDerWaalsContact OE1-CB 3.29Å; E661-S792 WeakPolarHBondContact OE1-CB 3.16Å; E661-S792 PolarHBondContact OE1-N 2.87Å; E661-S792 PolarHBondContact OE1-OG 3.33Å; E661-S792 WeakPolarHBondContact OE2-CB 3.44Å; E661-S792 PolarHBondContact OE2-OG 3.05Å; E661-F821 HydrophobicContact CB-CE2 4.09Å; E661-F821 HydrophobicContact CB-CZ 4.32Å; E661-F821 HydrophobicContact CG-CE2 4.31Å; E661-F821 WeakPolarHBondContact OE2-CE2 3.12Å |
| 662 | N | 86.7 | Confident | 92.2 | Very high | 94 Ų | 94 | 49 Ų | 49 | 50% | 0.503 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.7 | -43.5 | 178 | -69.7 | -18.1 | 0 | 0 | 0 | 111.3 | N660 A665 Y666 | N660-N662 PolarHBondContact O-N 3.08Å; N660-N662 VanDerWaalsContact O-N 3.14Å; N662-A665 PolarHBondContact O-N 2.91Å; N662-Y666 VanDerWaalsContact O-CB 3.31Å; N662-Y666 WeakPolarHBondContact O-CB 3.44Å; N662-Y666 PolarHBondContact O-N 3.33Å |
| 663 | S | 88.5 | Confident | 92.5 | Very high | 37 Ų | 37 | 47.7 Ų | 47.7 | 26% | 0.259 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67.5 | -37.1 | 173.8 | -68.3 | 0 | 0 | 0 | 0 | 112.1 | N660 Y666 Y667 | N660-S663 PolarHBondContact ND2-OG 3.48Å; N660-S663 PolarHBondContact O-N 2.99Å; N660-S663 PolarHBondContact OD1-N 2.94Å; S663-Y666 PolarHBondContact O-N 3.49Å; S663-Y667 WeakPolarHBondContact O-CD2 3.48Å; S663-Y667 PolarHBondContact O-N 2.83Å; S663-Y667 VanDerWaalsContact O-N 3.16Å |
| 664 | I | 93.7 | Very high | 92.8 | Very high | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.9 | -51.5 | 172.9 | -58.7 | -178.4 | 0 | 0 | 0 | 110.1 | L657 N660 E661 Y666 Y667 A668 M755 M758 A759 L791 F821 | L657-I664 HydrophobicContact CB-CD1 4.01Å; L657-I664 HydrophobicContact CB-CG1 3.69Å; L657-I664 HydrophobicContact CD1-CG1 4.37Å; L657-I664 WeakPolarHBondContact O-CD1 3.37Å; N660-I664 PolarHBondContact O-N 3.17Å; E661-I664 PolarHBondContact O-N 2.9Å; I664-Y666 VanDerWaalsContact C-N 3.33Å; I664-Y666 PolarHBondContact O-N 2.89Å; I664-Y667 PolarHBondContact O-N 3.33Å; I664-A668 WeakPolarHBondContact O-CB 3.32Å; I664-A668 PolarHBondContact O-N 3.37Å; I664-M755 HydrophobicContact CG2-CE 3.75Å; I664-M758 HydrophobicContact CG1-CB 4.28Å; I664-M758 HydrophobicContact CG2-CE 4.24Å; I664-A759 HydrophobicContact CD1-CB 4.07Å; I664-L791 HydrophobicContact CD1-CD2 4.39Å; I664-F821 HydrophobicContact CB-CZ 4.44Å; I664-F821 HydrophobicContact CG2-CE1 4.41Å; I664-F821 HydrophobicContact CG2-CZ 4.27Å |
| 665 | A | 92.1 | Very high | 93.1 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 3% | 0.025 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.3 | -42.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E661 N662 R669 F821 F822 | E661-A665 WeakPolarHBondContact O-CB 3.47Å; E661-A665 PolarHBondContact O-N 3.42Å; N662-A665 PolarHBondContact O-N 2.91Å; A665-R669 VanDerWaalsContact O-CB 3.29Å; A665-R669 WeakPolarHBondContact O-CB 3.16Å; A665-R669 PolarHBondContact O-N 3.43Å; A665-F821 HydrophobicContact CB-CD1 4.07Å; A665-F821 HydrophobicContact CB-CE1 3.54Å; A665-F821 HydrophobicContact CB-CZ 3.79Å; A665-F822 HydrophobicContact CB-CD1 4.12Å; A665-F822 HydrophobicContact CB-CE1 4.4Å; A665-F822 WeakPolarHBondContact O-CD1 3.31Å; A665-F822 VanDerWaalsContact O-CE1 3.29Å; A665-F822 WeakPolarHBondContact O-CE1 3.18Å |
| 666 | Y | 89.2 | Confident | 93.2 | Very high | 47 Ų | 47 | 37.6 Ų | 37.6 | 18% | 0.184 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.2 | -45.8 | -178.8 | 179.6 | -106.4 | 0 | 0 | 0 | 113.1 | N662 S663 I664 Q670 G700 I912 T913 | N662-Y666 VanDerWaalsContact O-CB 3.31Å; N662-Y666 WeakPolarHBondContact O-CB 3.44Å; N662-Y666 PolarHBondContact O-N 3.33Å; S663-Y666 PolarHBondContact O-N 3.49Å; I664-Y666 VanDerWaalsContact C-N 3.33Å; I664-Y666 PolarHBondContact O-N 2.89Å; Y666-Q670 VanDerWaalsContact CZ-NE2 3.29Å; Y666-Q670 PolarHBondContact O-NE2 3.49Å; Y666-Q670 PolarHBondContact OH-NE2 3.44Å; Y666-G700 WeakPolarHBondContact CE1-O 3.43Å; Y666-G700 PolarHBondContact OH-O 3.45Å; Y666-I912 HydrophobicContact CD2-CG2 4.37Å; Y666-I912 HydrophobicContact CE2-CB 4.39Å; Y666-I912 HydrophobicContact CE2-CG2 3.88Å; Y666-T913 HydrophobicContact CE1-CG2 4.32Å; Y666-T913 HydrophobicContact CE2-CG2 4.42Å; Y666-T913 WeakPolarHBondContact OH-CG2 3.49Å |
| 667 | Y | 94.3 | Very high | 93.1 | Very high | 24 Ų | 24 | 35.8 Ų | 35.8 | 9% | 0.094 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -77 | -40.3 | 176 | -65 | -57.1 | 0 | 0 | 0 | 112.3 | W654 S663 I664 R669 Q670 I671 V695 G700 C702 | W654-Y667 HydrophobicContact CH2-CD2 4.27Å; W654-Y667 HydrophobicContact CH2-CE1 4.46Å; W654-Y667 AromaticContact CH2-CE2 3.42Å; W654-Y667 HydrophobicContact CH2-CE2 3.42Å; W654-Y667 VanDerWaalsContact CH2-CE2 3.42Å; W654-Y667 AromaticContact CH2-CZ 3.54Å; W654-Y667 WeakPolarHBondContact CH2-OH 3.48Å; W654-Y667 HydrophobicContact CZ2-CE2 4.27Å; W654-Y667 HydrophobicContact CZ3-CD2 4.16Å; W654-Y667 AromaticContact CZ3-CE2 3.65Å; W654-Y667 HydrophobicContact CZ3-CE2 3.65Å; S663-Y667 WeakPolarHBondContact O-CD2 3.48Å; S663-Y667 PolarHBondContact O-N 2.83Å; S663-Y667 VanDerWaalsContact O-N 3.16Å; I664-Y667 PolarHBondContact O-N 3.33Å; Y667-R669 VanDerWaalsContact C-N 3.3Å; Y667-R669 PolarHBondContact O-N 2.77Å; Y667-Q670 WeakPolarHBondContact O-CB 3.4Å; Y667-Q670 PolarHBondContact O-N 2.91Å; Y667-Q670 VanDerWaalsContact O-N 3.09Å; Y667-I671 WeakPolarHBondContact O-CG1 3.47Å; Y667-I671 PolarHBondContact O-N 2.88Å; Y667-V695 HydrophobicContact CD1-CG1 4.44Å; Y667-V695 HydrophobicContact CE1-CG1 3.57Å; Y667-V695 HydrophobicContact CE1-CG2 4.35Å; Y667-G700 WeakPolarHBondContact CE1-O 3.33Å; Y667-C702 HydrophobicContact CD1-CB 4.14Å |
| 668 | A | 96.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.8 | -39.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I664 Q670 I671 L672 F751 M755 M758 F822 | I664-A668 WeakPolarHBondContact O-CB 3.32Å; I664-A668 PolarHBondContact O-N 3.37Å; A668-Q670 PolarHBondContact O-N 3.38Å; A668-I671 PolarHBondContact O-N 2.93Å; A668-L672 WeakPolarHBondContact O-CG 3.31Å; A668-L672 PolarHBondContact O-N 3.3Å; A668-F751 HydrophobicContact CB-CE2 3.93Å; A668-F751 HydrophobicContact CB-CZ 3.91Å; A668-F751 WeakPolarHBondContact O-CE2 3.41Å; A668-M755 HydrophobicContact CB-CE 4.29Å; A668-M755 HydrophobicContact CB-CG 4.34Å; A668-M755 HydrophobicContact CB-SD 4.31Å; A668-M758 HydrophobicContact CB-CE 4.11Å; A668-F822 HydrophobicContact CB-CE1 3.95Å; A668-F822 HydrophobicContact CB-CZ 4.15Å |
| 669 | R | 94.8 | Very high | 92.6 | Very high | 90 Ų | 90 | 34.7 Ų | 34.7 | 34% | 0.34 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.2 | -42.5 | 174.8 | -175.2 | 172.1 | 178.2 | 153.7 | -0.5 | 112.2 | A665 Y667 L672 Q673 F822 | A665-R669 VanDerWaalsContact O-CB 3.29Å; A665-R669 WeakPolarHBondContact O-CB 3.16Å; A665-R669 PolarHBondContact O-N 3.43Å; Y667-R669 VanDerWaalsContact C-N 3.3Å; Y667-R669 PolarHBondContact O-N 2.77Å; R669-L672 PolarHBondContact O-N 2.8Å; R669-Q673 VanDerWaalsContact O-CG 3.29Å; R669-Q673 WeakPolarHBondContact O-CG 3.13Å; R669-Q673 PolarHBondContact O-N 2.99Å; R669-F822 HydrophobicContact CB-CD1 3.79Å; R669-F822 HydrophobicContact CB-CE1 3.8Å; R669-F822 HydrophobicContact CG-CD1 4.43Å |
| 670 | Q | 94.4 | Very high | 92.3 | Very high | 9 Ų | 9 | 32 Ų | 32 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -69.8 | -38.5 | 179.2 | -74 | -172.6 | 75.9 | 0 | 0 | 112.9 | N618 Y666 Y667 A668 Q673 G674 G700 L701 C702 | N618-Q670 WeakPolarHBondContact CB-O 3.41Å; N618-Q670 WeakPolarHBondContact ND2-CB 3.49Å; N618-Q670 PolarHBondContact ND2-OE1 3.12Å; N618-Q670 VanDerWaalsContact ND2-OE1 3.09Å; Y666-Q670 VanDerWaalsContact CZ-NE2 3.29Å; Y666-Q670 PolarHBondContact O-NE2 3.49Å; Y666-Q670 PolarHBondContact OH-NE2 3.44Å; Y667-Q670 WeakPolarHBondContact O-CB 3.4Å; Y667-Q670 PolarHBondContact O-N 2.91Å; Y667-Q670 VanDerWaalsContact O-N 3.09Å; A668-Q670 PolarHBondContact O-N 3.38Å; Q670-Q673 PolarHBondContact O-N 3.19Å; Q670-G674 PolarHBondContact O-N 3.42Å; Q670-G700 PolarHBondContact NE2-O 2.95Å; Q670-L701 VanDerWaalsContact OE1-CA 3.28Å; Q670-C702 WeakPolarHBondContact CB-SG 3.4Å |
| 671 | I | 97.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.9 | -45.9 | 172.4 | -60.9 | 164 | 0 | 0 | 0 | 109.6 | L646 Y667 A668 Q673 G674 L675 V693 F751 T754 M758 | L646-I671 HydrophobicContact CD2-CD1 4.35Å; Y667-I671 WeakPolarHBondContact O-CG1 3.47Å; Y667-I671 PolarHBondContact O-N 2.88Å; A668-I671 PolarHBondContact O-N 2.93Å; I671-Q673 VanDerWaalsContact C-N 3.33Å; I671-Q673 PolarHBondContact O-N 3.4Å; I671-G674 PolarHBondContact O-N 2.98Å; I671-L675 HydrophobicContact CG2-CD1 4.28Å; I671-L675 PolarHBondContact O-N 3.17Å; I671-V693 HydrophobicContact CD1-CG1 4.05Å; I671-V693 HydrophobicContact CD1-CG2 4.22Å; I671-V693 HydrophobicContact CG1-CG1 3.91Å; I671-V693 HydrophobicContact CG1-CG2 4.2Å; I671-F751 HydrophobicContact CB-CD2 4.18Å; I671-F751 HydrophobicContact CB-CE2 4.2Å; I671-F751 HydrophobicContact CG2-CD2 3.74Å; I671-F751 HydrophobicContact CG2-CE2 4.27Å; I671-T754 HydrophobicContact CD1-CG2 4.32Å; I671-M758 HydrophobicContact CD1-CE 4.33Å |
| 672 | L | 97.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.3 | -36.2 | 175.1 | -73.3 | 171.1 | 0 | 0 | 0 | 113 | A668 R669 L675 N676 F751 A813 L816 I817 F822 | A668-L672 WeakPolarHBondContact O-CG 3.31Å; A668-L672 PolarHBondContact O-N 3.3Å; R669-L672 PolarHBondContact O-N 2.8Å; L672-L675 PolarHBondContact O-N 3.21Å; L672-N676 WeakPolarHBondContact O-CB 3.15Å; L672-N676 PolarHBondContact O-N 3.41Å; L672-F751 HydrophobicContact CD1-CE1 3.93Å; L672-F751 HydrophobicContact CD1-CE2 4.33Å; L672-F751 HydrophobicContact CD1-CZ 3.6Å; L672-F751 HydrophobicContact CD2-CD1 3.83Å; L672-F751 HydrophobicContact CD2-CD2 4.32Å; L672-F751 HydrophobicContact CD2-CE1 3.65Å; L672-F751 HydrophobicContact CD2-CE2 4.15Å; L672-F751 HydrophobicContact CD2-CG 4.17Å; L672-F751 HydrophobicContact CD2-CZ 3.82Å; L672-F751 HydrophobicContact CG-CD1 4.41Å; L672-F751 HydrophobicContact CG-CD2 4.33Å; L672-F751 HydrophobicContact CG-CE1 3.84Å; L672-F751 HydrophobicContact CG-CE2 3.74Å; L672-F751 HydrophobicContact CG-CZ 3.46Å; L672-F751 VanDerWaalsContact CG-CZ 3.46Å; L672-A813 HydrophobicContact CD2-CB 4.14Å; L672-L816 HydrophobicContact CD1-CB 3.76Å; L672-L816 HydrophobicContact CD2-CB 3.99Å; L672-L816 HydrophobicContact CD2-CD1 3.96Å; L672-I817 HydrophobicContact CB-CD1 4.03Å; L672-I817 HydrophobicContact CB-CG1 3.59Å; L672-I817 HydrophobicContact CD1-CG1 4.18Å; L672-I817 HydrophobicContact CG-CG1 4.49Å; L672-F822 HydrophobicContact CD1-CE2 3.75Å; L672-F822 HydrophobicContact CD1-CZ 3.67Å |
| 673 | Q | 95.8 | Very high | 90.4 | Very high | 68 Ų | 68 | 32 Ų | 32 | 32% | 0.318 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -64.3 | -41.6 | 173.8 | -75.5 | 169.6 | -48.3 | 0 | 0 | 111.7 | N618 R669 Q670 I671 Y677 I817 | N618-Q673 WeakPolarHBondContact OD1-CB 3.49Å; R669-Q673 VanDerWaalsContact O-CG 3.29Å; R669-Q673 WeakPolarHBondContact O-CG 3.13Å; R669-Q673 PolarHBondContact O-N 2.99Å; Q670-Q673 PolarHBondContact O-N 3.19Å; I671-Q673 VanDerWaalsContact C-N 3.33Å; I671-Q673 PolarHBondContact O-N 3.4Å; Q673-Y677 PolarHBondContact O-N 2.93Å; Q673-Y677 VanDerWaalsContact O-N 3.1Å; Q673-I817 HydrophobicContact CG-CD1 4.09Å |
| 674 | G | 94.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62 | -46.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q670 I671 Y677 L678 | Q670-G674 PolarHBondContact O-N 3.42Å; I671-G674 PolarHBondContact O-N 2.98Å; G674-Y677 WeakPolarHBondContact O-CB 3.22Å; G674-Y677 PolarHBondContact O-N 3.27Å; G674-L678 WeakPolarHBondContact O-CG 3.45Å; G674-L678 PolarHBondContact O-N 3.13Å |
| 675 | L | 96.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.1 | -44.2 | 176.5 | -75.2 | 178.9 | 0 | 0 | 0 | 112.5 | I671 L672 Y677 L678 H679 I688 I704 D747 F751 A813 | I671-L675 HydrophobicContact CG2-CD1 4.28Å; I671-L675 PolarHBondContact O-N 3.17Å; L672-L675 PolarHBondContact O-N 3.21Å; L675-Y677 VanDerWaalsContact C-N 3.25Å; L675-Y677 PolarHBondContact O-N 3.44Å; L675-L678 PolarHBondContact O-N 2.95Å; L675-L678 VanDerWaalsContact O-N 3.13Å; L675-H679 WeakPolarHBondContact O-CB 3.28Å; L675-H679 PolarHBondContact O-CD2 3.36Å; L675-H679 PolarHBondContact O-N 3.48Å; L675-I688 HydrophobicContact CD2-CD1 3.74Å; L675-I688 HydrophobicContact CD2-CG1 3.93Å; L675-I704 HydrophobicContact CD2-CD1 4.22Å; L675-I704 HydrophobicContact CG-CD1 4.13Å; L675-D747 HydrophobicContact CD1-CB 4.4Å; L675-D747 HydrophobicContact CD2-CB 3.92Å; L675-F751 HydrophobicContact CD1-CB 3.99Å; L675-F751 HydrophobicContact CD1-CG 4.49Å; L675-A813 HydrophobicContact CB-CB 4.22Å |
| 676 | N | 94.5 | Very high | 89.9 | Confident | 62 Ų | 62 | 30.8 Ų | 30.8 | 33% | 0.332 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -58.8 | -39.4 | 176.3 | -174.8 | 57.4 | 0 | 0 | 0 | 111.6 | L672 S680 A813 A814 I817 | L672-N676 WeakPolarHBondContact O-CB 3.15Å; L672-N676 PolarHBondContact O-N 3.41Å; N676-S680 VanDerWaalsContact O-CB 3.28Å; N676-S680 WeakPolarHBondContact O-CB 3.43Å; N676-S680 PolarHBondContact O-N 2.65Å; N676-S680 PolarHBondContact O-OG 3.47Å; N676-A813 HydrophobicContact CB-CB 3.86Å; N676-A814 WeakPolarHBondContact OD1-CB 3.44Å; N676-I817 HydrophobicContact CB-CD1 4.2Å |
| 677 | Y | 92.2 | Very high | 89.9 | Confident | 42 Ų | 42 | 28.8 Ų | 28.8 | 17% | 0.165 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.6 | -53.7 | 171.6 | 172.6 | -102.2 | 0 | 0 | 0 | 111.5 | L614 K615 H616 I619 Q673 G674 L675 H679 S680 Q681 | L614-Y677 HydrophobicContact CB-CE1 4.42Å; L614-Y677 HydrophobicContact CD2-CE1 4.16Å; K615-Y677 PolarHBondContact N-OH 2.97Å; K615-Y677 PolarHBondContact O-OH 3.36Å; H616-Y677 HydrophobicContact CB-CD1 3.59Å; H616-Y677 HydrophobicContact CB-CD2 4Å; H616-Y677 HydrophobicContact CB-CE1 3.73Å; H616-Y677 HydrophobicContact CB-CE2 4.14Å; H616-Y677 HydrophobicContact CB-CG 3.72Å; H616-Y677 AromaticContact CG-CG 3.77Å; I619-Y677 HydrophobicContact CD1-CD1 4.47Å; I619-Y677 HydrophobicContact CG1-CD1 3.86Å; I619-Y677 HydrophobicContact CG1-CE1 4.17Å; Q673-Y677 PolarHBondContact O-N 2.93Å; Q673-Y677 VanDerWaalsContact O-N 3.1Å; G674-Y677 WeakPolarHBondContact O-CB 3.22Å; G674-Y677 PolarHBondContact O-N 3.27Å; L675-Y677 VanDerWaalsContact C-N 3.25Å; L675-Y677 PolarHBondContact O-N 3.44Å; Y677-H679 PolarHBondContact O-N 3.1Å; Y677-S680 PolarHBondContact O-N 2.55Å; Y677-S680 PolarHBondContact O-OG 3.25Å; Y677-Q681 HydrophobicContact CE2-CG 4.23Å; Y677-Q681 WeakPolarHBondContact O-CG 3.41Å; Y677-Q681 PolarHBondContact O-N 2.74Å; Y677-Q681 VanDerWaalsContact O-N 3.13Å |
| 678 | L | 87.5 | Confident | 90 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.2 | -45.8 | 179.2 | -64.8 | 176.3 | 0 | 0 | 0 | 112.7 | L614 I619 G674 L675 S680 Q681 K682 I683 H685 F707 | L614-L678 HydrophobicContact CD1-CD2 3.81Å; L614-L678 HydrophobicContact CD2-CD2 4.16Å; I619-L678 HydrophobicContact CD1-CD1 4Å; I619-L678 HydrophobicContact CD1-CD2 3.96Å; I619-L678 HydrophobicContact CD1-CG 3.93Å; G674-L678 WeakPolarHBondContact O-CG 3.45Å; G674-L678 PolarHBondContact O-N 3.13Å; L675-L678 PolarHBondContact O-N 2.95Å; L675-L678 VanDerWaalsContact O-N 3.13Å; L678-S680 VanDerWaalsContact C-N 3.34Å; L678-S680 PolarHBondContact O-N 3.29Å; L678-Q681 CarbonylContact O-C 3.24Å; L678-Q681 WeakPolarHBondContact O-CA 3.29Å; L678-Q681 WeakPolarHBondContact O-CB 3.19Å; L678-Q681 PolarHBondContact O-N 3.13Å; L678-K682 PolarHBondContact O-N 2.9Å; L678-I683 CarbonylContact C-O 3.57Å; L678-I683 VanDerWaalsContact C-O 3.29Å; L678-I683 HydrophobicContact CB-CB 4.33Å; L678-I683 HydrophobicContact CB-CG2 4.45Å; L678-I683 HydrophobicContact CD2-CG2 4.23Å; L678-I683 PolarHBondContact O-N 3.25Å; L678-H685 HydrophobicContact CD1-CB 4.43Å; L678-F707 HydrophobicContact CD1-CE1 4.31Å; L678-F707 HydrophobicContact CD2-CE1 4.18Å |
| 679 | H | 87.7 | Confident | 89.9 | Confident | 22 Ų | 22 | 29.1 Ų | 29.1 | 10% | 0.102 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.2 | -38 | 179.6 | -65.4 | 177.4 | 0 | 0 | 0 | 111.7 | L675 Y677 Q681 K682 I683 A744 D747 | L675-H679 WeakPolarHBondContact O-CB 3.28Å; L675-H679 PolarHBondContact O-CD2 3.36Å; L675-H679 PolarHBondContact O-N 3.48Å; Y677-H679 PolarHBondContact O-N 3.1Å; H679-Q681 VanDerWaalsContact C-N 3.27Å; H679-Q681 PolarHBondContact O-N 3.35Å; H679-K682 PolarHBondContact O-N 3.42Å; H679-I683 PolarHBondContact CD2-O 3.37Å; H679-A744 HydrophobicContact CB-CB 4.38Å; H679-A744 PolarHBondContact CE1-O 3.44Å; H679-A744 VanDerWaalsContact CE1-O 3.25Å; H679-D747 IonicContact CD2-OD2 3.64Å; H679-D747 IonicContact CE1-OD2 2.71Å; H679-D747 IonicContact NE2-OD2 3.99Å; H679-D747 PolarHBondContact NE2-OD2 2.93Å |
| 680 | S | 83.3 | Confident | 89.9 | Confident | 67 Ų | 67 | 24.9 Ų | 24.9 | 47% | 0.469 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -61.9 | -36 | 172.3 | 79.5 | 0 | 0 | 0 | 0 | 112.2 | N676 Y677 L678 K682 | N676-S680 VanDerWaalsContact O-CB 3.28Å; N676-S680 WeakPolarHBondContact O-CB 3.43Å; N676-S680 PolarHBondContact O-N 2.65Å; N676-S680 PolarHBondContact O-OG 3.47Å; Y677-S680 PolarHBondContact O-N 2.55Å; Y677-S680 PolarHBondContact O-OG 3.25Å; L678-S680 VanDerWaalsContact C-N 3.34Å; L678-S680 PolarHBondContact O-N 3.29Å; S680-K682 PolarHBondContact O-N 3.12Å |
| 681 | Q | 75.8 | Confident | 89.8 | Confident | 71 Ų | 71 | 28.4 Ų | 28.4 | 33% | 0.332 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 8.8 | 175.3 | -61.4 | -55.9 | -62 | 0 | 0 | 113.4 | R474 Y677 L678 H679 I683 | R474-Q681 PolarHBondContact NH2-O 2.81Å; Y677-Q681 HydrophobicContact CE2-CG 4.23Å; Y677-Q681 WeakPolarHBondContact O-CG 3.41Å; Y677-Q681 PolarHBondContact O-N 2.74Å; Y677-Q681 VanDerWaalsContact O-N 3.13Å; L678-Q681 CarbonylContact O-C 3.24Å; L678-Q681 WeakPolarHBondContact O-CA 3.29Å; L678-Q681 WeakPolarHBondContact O-CB 3.19Å; L678-Q681 PolarHBondContact O-N 3.13Å; H679-Q681 VanDerWaalsContact C-N 3.27Å; H679-Q681 PolarHBondContact O-N 3.35Å; Q681-I683 VanDerWaalsContact C-N 3.29Å; Q681-I683 HydrophobicContact CB-CD1 4.07Å; Q681-I683 HydrophobicContact CB-CG1 4.43Å; Q681-I683 PolarHBondContact O-N 3.33Å |
| 682 | K | 75.2 | Confident | 89.6 | Confident | 125 Ų | 125 | 29 Ų | 29 | 54% | 0.543 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 43.5 | -176.3 | -51.3 | -61.6 | -177.6 | 177.2 | 0 | 112.5 | R474 L678 H679 S680 R712 L713 | R474-K682 PolarHBondContact NH2-O 3Å; L678-K682 PolarHBondContact O-N 2.9Å; H679-K682 PolarHBondContact O-N 3.42Å; S680-K682 PolarHBondContact O-N 3.12Å; K682-R712 WeakPolarHBondContact O-CA 3.4Å; K682-L713 HydrophobicContact CB-CD1 4.22Å; K682-L713 HydrophobicContact CD-CD1 4.18Å; K682-L713 PolarHBondContact O-N 2.88Å |
| 683 | I | 77.3 | Confident | 89.6 | Confident | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 132.3 | 174.5 | -65.9 | 166.2 | 0 | 0 | 0 | 107.8 | L610 L614 L678 H679 Q681 C710 K711 R712 | L610-I683 HydrophobicContact CD1-CG2 4.35Å; L610-I683 HydrophobicContact CD2-CD1 4.16Å; L610-I683 HydrophobicContact CD2-CG2 4.35Å; L610-I683 HydrophobicContact CG-CD1 4.22Å; L614-I683 HydrophobicContact CD2-CD1 3.67Å; L678-I683 CarbonylContact C-O 3.57Å; L678-I683 VanDerWaalsContact C-O 3.29Å; L678-I683 HydrophobicContact CB-CB 4.33Å; L678-I683 HydrophobicContact CB-CG2 4.45Å; L678-I683 HydrophobicContact CD2-CG2 4.23Å; L678-I683 PolarHBondContact O-N 3.25Å; H679-I683 PolarHBondContact CD2-O 3.37Å; Q681-I683 VanDerWaalsContact C-N 3.29Å; Q681-I683 HydrophobicContact CB-CD1 4.07Å; Q681-I683 HydrophobicContact CB-CG1 4.43Å; Q681-I683 PolarHBondContact O-N 3.33Å; I683-C710 HydrophobicContact CG2-CB 4.12Å; I683-K711 WeakPolarHBondContact CA-O 3.38Å; I683-R712 HydrophobicContact CG1-CG 3.98Å |
| 684 | V | 84.2 | Confident | 89.5 | Confident | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.018 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 135.6 | 170.4 | -174 | 0 | 0 | 0 | 0 | 107.3 | R686 C710 K711 L713 G743 D747 | V684-R686 HydrophobicContact CB-CG 4.1Å; V684-R686 HydrophobicContact CG1-CG 3.73Å; V684-C710 WeakPolarHBondContact O-CA 3.38Å; V684-K711 PolarHBondContact N-O 2.86Å; V684-K711 PolarHBondContact O-N 3.41Å; V684-L713 HydrophobicContact CG2-CD1 4.49Å; V684-L713 HydrophobicContact CG2-CD2 3.35Å; V684-L713 HydrophobicContact CG2-CG 3.74Å; V684-G743 WeakPolarHBondContact CG1-O 3.29Å; V684-D747 WeakPolarHBondContact CA-OD2 3.48Å; V684-D747 WeakPolarHBondContact CG1-OD1 3.29Å; V684-D747 WeakPolarHBondContact CG1-OD2 3.21Å |
| 685 | H | 90 | Very high | 89.4 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | -76.3 | -37.8 | -177.8 | -164.7 | -83.3 | 0 | 0 | 0 | 112.4 | L678 D687 I688 I704 S705 T709 C710 D747 | L678-H685 HydrophobicContact CD1-CB 4.43Å; H685-D687 PolarHBondContact ND1-O 3.39Å; H685-D687 PolarHBondContact O-N 2.89Å; H685-I688 HydrophobicContact CB-CD1 3.68Å; H685-I688 HydrophobicContact CB-CG1 3.8Å; H685-I688 VanDerWaalsContact CG-CD1 3.45Å; H685-I704 VanDerWaalsContact CD2-CG2 3.44Å; H685-I704 WeakPolarHBondContact CD2-CG2 3.29Å; H685-I704 VanDerWaalsContact NE2-CG2 3.31Å; H685-I704 WeakPolarHBondContact NE2-CG2 3.11Å; H685-S705 PolarHBondContact CE1-O 3.18Å; H685-S705 PolarHBondContact NE2-O 3.39Å; H685-T709 CarbonylContact O-C 3.6Å; H685-T709 PolarHBondContact O-OG1 2.89Å; H685-C710 PolarHBondContact CD2-SG 2.99Å; H685-D747 PolarHBondContact N-OD1 3.18Å; H685-D747 PolarHBondContact N-OD2 2.98Å | ||
| 686 | R | 88.2 | Confident | 88.7 | Confident | 15 Ų | 15 | 29.3 Ų | 29.3 | 6% | 0.057 | 15% | 0.147 | C | C | . | . | S | Bend | trans | 69.2 | -15.7 | 176.6 | -52.1 | -165 | -63.7 | 141.8 | 9.4 | 116.4 | V684 T709 T724 Y742 D747 | V684-R686 HydrophobicContact CB-CG 4.1Å; V684-R686 HydrophobicContact CG1-CG 3.73Å; R686-T709 PolarHBondContact NE-O 3.43Å; R686-T709 PolarHBondContact NH2-O 3.41Å; R686-T724 PolarHBondContact NH1-OG1 2.89Å; R686-T724 PolarHBondContact NH2-OG1 2.69Å; R686-T724 VanDerWaalsContact NH2-OG1 3.15Å; R686-Y742 HydrophobicContact CB-CD1 3.73Å; R686-Y742 HydrophobicContact CB-CE1 3.45Å; R686-Y742 VanDerWaalsContact CB-CE1 3.45Å; R686-Y742 HydrophobicContact CB-CG 4.49Å; R686-Y742 HydrophobicContact CG-CD1 3.46Å; R686-Y742 VanDerWaalsContact CG-CD1 3.46Å; R686-Y742 HydrophobicContact CG-CE1 3.78Å; R686-Y742 HydrophobicContact CG-CG 3.96Å; R686-Y742 PolarHBondContact O-OH 3.36Å; R686-D747 PolarHBondContact N-OD1 2.94Å |
| 687 | D | 90.7 | Very high | 88 | Confident | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | trans | -138.4 | 60 | 175 | -165.7 | 45.3 | 0 | 0 | 0 | 112.8 | H685 K689 N692 T709 T726 | H685-D687 PolarHBondContact ND1-O 3.39Å; H685-D687 PolarHBondContact O-N 2.89Å; D687-K689 IonicContact OD1-NZ 2.78Å; D687-K689 WeakPolarHBondContact OD2-CE 3.38Å; D687-K689 IonicContact OD2-NZ 3.49Å; D687-K689 PolarHBondContact OD2-NZ 3.45Å; D687-N692 PolarHBondContact O-ND2 2.8Å; D687-N692 PolarHBondContact OD2-ND2 3.02Å; D687-T709 HydrophobicContact CB-CG2 4.2Å; D687-T726 VanDerWaalsContact OD1-CB 3.32Å; D687-T726 WeakPolarHBondContact OD1-CB 3.47Å; D687-T726 PolarHBondContact OD1-N 2.67Å; D687-T726 PolarHBondContact OD1-OG1 3.48Å | ||
| 688 | I | 95.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -79.7 | 125.7 | 173.5 | -64.8 | -69.9 | 0 | 0 | 0 | 110.1 | L675 H685 I704 Y729 D747 S750 | L675-I688 HydrophobicContact CD2-CD1 3.74Å; L675-I688 HydrophobicContact CD2-CG1 3.93Å; H685-I688 HydrophobicContact CB-CD1 3.68Å; H685-I688 HydrophobicContact CB-CG1 3.8Å; H685-I688 VanDerWaalsContact CG-CD1 3.45Å; I688-I704 HydrophobicContact CD1-CD1 4.3Å; I688-I704 HydrophobicContact CD1-CG2 3.91Å; I688-Y729 WeakPolarHBondContact O-CD1 3.35Å; I688-D747 HydrophobicContact CG1-CB 4.33Å; I688-S750 WeakPolarHBondContact O-CB 3.48Å | ||
| 689 | K | 94.5 | Very high | 85.9 | Confident | 32 Ų | 32 | 34.8 Ų | 34.8 | 14% | 0.139 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -164 | 164.3 | 178.9 | 61.8 | -164.4 | -173.7 | -156.9 | 0 | 109 | D687 D691 N692 V693 T726 Y729 | D687-K689 IonicContact OD1-NZ 2.78Å; D687-K689 WeakPolarHBondContact OD2-CE 3.38Å; D687-K689 IonicContact OD2-NZ 3.49Å; D687-K689 PolarHBondContact OD2-NZ 3.45Å; K689-D691 HydrophobicContact CD-CB 4.42Å; K689-D691 HydrophobicContact CG-CB 4.15Å; K689-D691 PolarHBondContact O-N 3.34Å; K689-N692 HydrophobicContact CG-CB 4.19Å; K689-N692 PolarHBondContact O-N 3.18Å; K689-V693 PolarHBondContact O-N 3.01Å; K689-T726 HydrophobicContact CD-CG2 4.43Å; K689-T726 VanDerWaalsContact CD-OG1 3.28Å; K689-T726 WeakPolarHBondContact CD-OG1 3.44Å; K689-T726 PolarHBondContact NZ-OG1 2.91Å; K689-Y729 HydrophobicContact CB-CD1 3.84Å; K689-Y729 HydrophobicContact CB-CD2 4.14Å; K689-Y729 HydrophobicContact CB-CE1 3.59Å; K689-Y729 HydrophobicContact CB-CE2 3.89Å; K689-Y729 HydrophobicContact CB-CG 4.11Å |
| 690 | G | 93.9 | Very high | 85.3 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -59.8 | -27.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | S645 L646 S647 N692 V693 E757 | S645-G690 WeakPolarHBondContact CB-O 3.49Å; L646-G690 WeakPolarHBondContact CB-O 3.26Å; L646-G690 PolarHBondContact N-O 3.42Å; S647-G690 PolarHBondContact N-O 3.36Å; S647-G690 WeakPolarHBondContact OG-CA 3.44Å; G690-N692 VanDerWaalsContact C-N 3.26Å; G690-N692 PolarHBondContact O-N 2.66Å; G690-V693 PolarHBondContact O-N 2.98Å; G690-E757 WeakPolarHBondContact CA-OE2 3.36Å; G690-E757 PolarHBondContact N-OE2 2.81Å |
| 691 | D | 92.7 | Very high | 85.1 | Confident | 84 Ų | 84 | 33.9 Ų | 33.9 | 45% | 0.449 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -65 | -29.8 | 174.3 | -81.4 | -40.1 | 0 | 0 | 0 | 113 | S645 S647 K689 | S645-D691 WeakPolarHBondContact CB-O 3.47Å; S645-D691 PolarHBondContact OG-OD1 3.43Å; S647-D691 WeakPolarHBondContact CB-OD1 3.31Å; S647-D691 PolarHBondContact OG-N 3.2Å; K689-D691 HydrophobicContact CD-CB 4.42Å; K689-D691 HydrophobicContact CG-CB 4.15Å; K689-D691 PolarHBondContact O-N 3.34Å |
| 692 | N | 94.3 | Very high | 85.8 | Confident | 12 Ų | 12 | 30.6 Ų | 30.6 | 6% | 0.064 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -96.8 | 11.7 | 178.6 | -69.7 | -12 | 0 | 0 | 0 | 112.9 | D687 K689 G690 I704 S705 | D687-N692 PolarHBondContact O-ND2 2.8Å; D687-N692 PolarHBondContact OD2-ND2 3.02Å; K689-N692 HydrophobicContact CG-CB 4.19Å; K689-N692 PolarHBondContact O-N 3.18Å; G690-N692 VanDerWaalsContact C-N 3.26Å; G690-N692 PolarHBondContact O-N 2.66Å; N692-I704 WeakPolarHBondContact O-CA 3.45Å; N692-S705 WeakPolarHBondContact CB-O 3.41Å; N692-S705 PolarHBondContact O-N 3.26Å; N692-S705 PolarHBondContact O-OG 3.14Å |
| 693 | V | 96.4 | Very high | 86.7 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 102.5 | 172.2 | 177.9 | 0 | 0 | 0 | 0 | 108.4 | S645 L646 I671 K689 G690 C702 | S645-V693 CarbonylContact C-O 3.46Å; L646-V693 HydrophobicContact CB-CB 4.22Å; L646-V693 HydrophobicContact CB-CG1 4.37Å; L646-V693 WeakPolarHBondContact CB-O 3.41Å; L646-V693 HydrophobicContact CD2-CB 4.39Å; L646-V693 HydrophobicContact CD2-CG1 4.33Å; L646-V693 PolarHBondContact N-O 3.46Å; I671-V693 HydrophobicContact CD1-CG1 4.05Å; I671-V693 HydrophobicContact CD1-CG2 4.22Å; I671-V693 HydrophobicContact CG1-CG1 3.91Å; I671-V693 HydrophobicContact CG1-CG2 4.2Å; K689-V693 PolarHBondContact O-N 3.01Å; G690-V693 PolarHBondContact O-N 2.98Å; V693-C702 HydrophobicContact CG1-CB 3.98Å |
| 694 | L | 94.9 | Very high | 87.6 | Confident | 38 Ų | 38 | 25.7 Ų | 25.7 | 20% | 0.199 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 139.5 | 177.5 | -52.5 | -175.3 | 0 | 0 | 0 | 110.4 | V620 V641 G644 C702 K703 | V620-L694 HydrophobicContact CG2-CD1 3.95Å; V641-L694 HydrophobicContact CB-CB 3.78Å; V641-L694 HydrophobicContact CB-CD1 3.95Å; V641-L694 HydrophobicContact CG1-CB 3.74Å; V641-L694 HydrophobicContact CG2-CB 4.03Å; V641-L694 HydrophobicContact CG2-CD1 3.86Å; G644-L694 CarbonylContact O-C 3.51Å; G644-L694 WeakPolarHBondContact O-CA 3.02Å; L694-C702 CarbonylContact O-C 3.56Å; L694-C702 WeakPolarHBondContact O-CA 3.27Å; L694-K703 PolarHBondContact N-O 2.95Å; L694-K703 PolarHBondContact O-N 3.42Å |
| 695 | V | 91.1 | Very high | 88 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 124.6 | 177.5 | -175.7 | 0 | 0 | 0 | 0 | 110.3 | G643 G644 L646 L649 W654 Y667 T697 C702 | G643-V695 WeakPolarHBondContact CA-O 3.37Å; G644-V695 PolarHBondContact O-N 3.22Å; L646-V695 HydrophobicContact CB-CG2 4.4Å; L646-V695 HydrophobicContact CD1-CG2 4.39Å; L649-V695 HydrophobicContact CD1-CB 3.69Å; L649-V695 HydrophobicContact CD1-CG1 4.41Å; L649-V695 HydrophobicContact CD1-CG2 4.15Å; W654-V695 HydrophobicContact CH2-CB 4.45Å; W654-V695 HydrophobicContact CH2-CG1 4.15Å; W654-V695 HydrophobicContact CH2-CG2 4.23Å; Y667-V695 HydrophobicContact CD1-CG1 4.44Å; Y667-V695 HydrophobicContact CE1-CG1 3.57Å; Y667-V695 HydrophobicContact CE1-CG2 4.35Å; V695-T697 PolarHBondContact O-N 3.03Å; V695-C702 HydrophobicContact CG2-CB 4Å |
| 696 | N | 82.3 | Confident | 87.8 | Confident | 35 Ų | 35 | 27.2 Ų | 27.2 | 19% | 0.187 | 14% | 0.139 | C | C | . | . | trans | -77 | 101.6 | 165.2 | -176.6 | -32.8 | 0 | 0 | 0 | 108.3 | V641 P642 Y698 S699 G700 L701 | V641-N696 HydrophobicContact CG1-CB 4.06Å; P642-N696 HydrophobicContact CG-CB 4.49Å; P642-N696 WeakPolarHBondContact O-CA 3.31Å; N696-Y698 PolarHBondContact O-N 3.23Å; N696-Y698 WeakPolarHBondContact OD1-CB 3.18Å; N696-Y698 PolarHBondContact OD1-N 3.27Å; N696-S699 WeakPolarHBondContact CB-OG 3.42Å; N696-S699 PolarHBondContact ND2-OG 3.32Å; N696-S699 PolarHBondContact O-N 3.23Å; N696-S699 PolarHBondContact OD1-N 3.1Å; N696-S699 PolarHBondContact OD1-OG 3.32Å; N696-G700 WeakPolarHBondContact O-CA 3.49Å; N696-G700 PolarHBondContact O-N 3.4Å; N696-L701 WeakPolarHBondContact CB-O 3.29Å; N696-L701 PolarHBondContact N-O 2.69Å | ||
| 697 | T | 79.6 | Confident | 87.5 | Confident | 62 Ų | 62 | 26.6 Ų | 26.6 | 38% | 0.38 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -11.1 | -175.6 | 52.6 | 0 | 0 | 0 | 0 | 113.5 | P642 L649 W654 V695 | P642-T697 PolarHBondContact O-N 3.19Å; P642-T697 PolarHBondContact O-OG1 3.06Å; L649-T697 HydrophobicContact CD1-CG2 3.85Å; L649-T697 HydrophobicContact CD2-CG2 3.85Å; W654-T697 HydrophobicContact CZ2-CG2 4.49Å; V695-T697 PolarHBondContact O-N 3.03Å |
| 698 | Y | 67 | Low | 86.5 | Confident | 139 Ų | 139 | 27.2 Ų | 27.2 | 55% | 0.545 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -30.1 | 176.7 | -58.7 | -73.2 | 0 | 0 | 0 | 113.6 | P642 N696 | P642-Y698 HydrophobicContact CB-CD2 3.97Å; P642-Y698 HydrophobicContact CB-CE2 3.94Å; P642-Y698 HydrophobicContact CG-CD2 4.01Å; P642-Y698 HydrophobicContact CG-CE2 4.48Å; N696-Y698 PolarHBondContact O-N 3.23Å; N696-Y698 WeakPolarHBondContact OD1-CB 3.18Å; N696-Y698 PolarHBondContact OD1-N 3.27Å |
| 699 | S | 68.7 | Low | 85.3 | Confident | 19 Ų | 19 | 27.4 Ų | 27.4 | 13% | 0.133 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -16.3 | 178.2 | 68.2 | 0 | 0 | 0 | 0 | 114.2 | N696 L701 T913 | N696-S699 WeakPolarHBondContact CB-OG 3.42Å; N696-S699 PolarHBondContact ND2-OG 3.32Å; N696-S699 PolarHBondContact O-N 3.23Å; N696-S699 PolarHBondContact OD1-N 3.1Å; N696-S699 PolarHBondContact OD1-OG 3.32Å; S699-L701 PolarHBondContact O-N 2.68Å; S699-L701 PolarHBondContact OG-N 3.27Å; S699-T913 VanDerWaalsContact O-CG2 3.23Å; S699-T913 WeakPolarHBondContact O-CG2 3.36Å; S699-T913 PolarHBondContact O-OG1 2.78Å |
| 700 | G | 75.2 | Confident | 84.1 | Confident | 10 Ų | 10 | 26.4 Ų | 26.4 | 10% | 0.103 | 14% | 0.143 | C | C | . | . | trans | 77 | -0.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y666 Y667 Q670 N696 C702 | Y666-G700 WeakPolarHBondContact CE1-O 3.43Å; Y666-G700 PolarHBondContact OH-O 3.45Å; Y667-G700 WeakPolarHBondContact CE1-O 3.33Å; Q670-G700 PolarHBondContact NE2-O 2.95Å; N696-G700 WeakPolarHBondContact O-CA 3.49Å; N696-G700 PolarHBondContact O-N 3.4Å; G700-C702 PolarHBondContact O-N 3.13Å | ||
| 701 | L | 80.1 | Confident | 82.7 | Confident | 60 Ų | 60 | 28.5 Ų | 28.5 | 31% | 0.314 | 15% | 0.152 | S | C | . | . | trans | -74.5 | 128.8 | 179.9 | -65.5 | 176 | 0 | 0 | 0 | 111.2 | V617 Q670 N696 S699 | V617-L701 HydrophobicContact CG2-CD1 3.96Å; V617-L701 HydrophobicContact CG2-CD2 4.23Å; Q670-L701 VanDerWaalsContact OE1-CA 3.28Å; N696-L701 WeakPolarHBondContact CB-O 3.29Å; N696-L701 PolarHBondContact N-O 2.69Å; S699-L701 PolarHBondContact O-N 2.68Å; S699-L701 PolarHBondContact OG-N 3.27Å | ||
| 702 | C | 90.6 | Very high | 80.8 | Confident | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.014 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 148.8 | 169 | 80.7 | 0 | 0 | 0 | 0 | 112.2 | N618 Y667 Q670 V693 L694 V695 G700 | N618-C702 VanDerWaalsContact CA-O 3.31Å; N618-C702 WeakPolarHBondContact CA-O 3.3Å; N618-C702 WeakPolarHBondContact CB-O 3.13Å; N618-C702 PolarHBondContact ND2-O 2.97Å; Y667-C702 HydrophobicContact CD1-CB 4.14Å; Q670-C702 WeakPolarHBondContact CB-SG 3.4Å; V693-C702 HydrophobicContact CG1-CB 3.98Å; L694-C702 CarbonylContact O-C 3.56Å; L694-C702 WeakPolarHBondContact O-CA 3.27Å; V695-C702 HydrophobicContact CG2-CB 4Å; G700-C702 PolarHBondContact O-N 3.13Å |
| 703 | K | 94.1 | Very high | 78.7 | Confident | 23 Ų | 23 | 28.2 Ų | 28.2 | 10% | 0.1 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 129.4 | -172.9 | -75.5 | 170.1 | 168.7 | -74.5 | 0 | 110.9 | V617 N618 I619 V620 E639 V641 L694 | V617-K703 WeakPolarHBondContact O-CE 3.29Å; V617-K703 WeakPolarHBondContact O-CG 3.45Å; V617-K703 PolarHBondContact O-NZ 3.41Å; N618-K703 WeakPolarHBondContact O-CA 3.45Å; I619-K703 PolarHBondContact O-NZ 3.24Å; V620-K703 HydrophobicContact CG2-CB 3.79Å; E639-K703 VanDerWaalsContact CD-CE 3.5Å; E639-K703 WeakPolarHBondContact OE1-CD 3.4Å; E639-K703 WeakPolarHBondContact OE1-CE 3.47Å; E639-K703 IonicContact OE1-NZ 3.53Å; E639-K703 PolarHBondContact OE1-NZ 2.68Å; E639-K703 VanDerWaalsContact OE2-CE 3.25Å; E639-K703 WeakPolarHBondContact OE2-CE 3.43Å; E639-K703 IonicContact OE2-NZ 3.22Å; E639-K703 PolarHBondContact OE2-NZ 3.4Å; V641-K703 HydrophobicContact CG2-CB 4.44Å; V641-K703 HydrophobicContact CG2-CD 3.77Å; L694-K703 PolarHBondContact N-O 2.95Å; L694-K703 PolarHBondContact O-N 3.42Å |
| 704 | I | 96.3 | Very high | 76 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 139.9 | 174.5 | -54.7 | 173.6 | 0 | 0 | 0 | 109.7 | N618 I619 V620 L675 H685 I688 N692 F707 | N618-I704 PolarHBondContact O-N 2.57Å; I619-I704 HydrophobicContact CD1-CB 4.06Å; I619-I704 HydrophobicContact CD1-CD1 4.38Å; V620-I704 WeakPolarHBondContact CG2-O 3.47Å; V620-I704 PolarHBondContact N-O 3.46Å; L675-I704 HydrophobicContact CD2-CD1 4.22Å; L675-I704 HydrophobicContact CG-CD1 4.13Å; H685-I704 VanDerWaalsContact CD2-CG2 3.44Å; H685-I704 WeakPolarHBondContact CD2-CG2 3.29Å; H685-I704 VanDerWaalsContact NE2-CG2 3.31Å; H685-I704 WeakPolarHBondContact NE2-CG2 3.11Å; I688-I704 HydrophobicContact CD1-CD1 4.3Å; I688-I704 HydrophobicContact CD1-CG2 3.91Å; N692-I704 WeakPolarHBondContact O-CA 3.45Å; I704-F707 WeakPolarHBondContact O-CZ 3.46Å |
| 705 | S | 92 | Very high | 73.4 | Confident | 15 Ų | 15 | 29.4 Ų | 29.4 | 11% | 0.105 | 17% | 0.165 | C | C | . | . | trans | -139.4 | 171 | -173.8 | 66.1 | 0 | 0 | 0 | 0 | 113.9 | H685 N692 | H685-S705 PolarHBondContact CE1-O 3.18Å; H685-S705 PolarHBondContact NE2-O 3.39Å; N692-S705 WeakPolarHBondContact CB-O 3.41Å; N692-S705 PolarHBondContact O-N 3.26Å; N692-S705 PolarHBondContact O-OG 3.14Å | ||
| 706 | D | 84.7 | Confident | 71.1 | Confident | 20 Ų | 20 | 31.4 Ų | 31.4 | 11% | 0.107 | 18% | 0.176 | C | C | . | . | trans | 64.4 | 68.8 | -175.6 | -156.7 | 22.2 | 0 | 0 | 0 | 115 | T572 K591 G708 | T572-D706 PolarHBondContact N-OD2 3.48Å; T572-D706 PolarHBondContact OG1-OD2 3.27Å; K591-D706 IonicContact NZ-OD1 3.42Å; K591-D706 PolarHBondContact NZ-OD1 2.72Å; D706-G708 PolarHBondContact O-N 2.98Å | ||
| 707 | F | 82 | Confident | 69.1 | Low | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.009 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -73.4 | -1.3 | -178.6 | -64.6 | -83.1 | 0 | 0 | 0 | 114.5 | E607 L610 H611 L614 I619 L678 I704 T709 C710 | E607-F707 HydrophobicContact CG-CB 4.44Å; L610-F707 HydrophobicContact CD2-CB 4.38Å; L610-F707 HydrophobicContact CD2-CD1 4.19Å; H611-F707 HydrophobicContact CB-CB 4.2Å; H611-F707 HydrophobicContact CB-CD2 4.48Å; H611-F707 HydrophobicContact CB-CG 4.41Å; H611-F707 AromaticContact CD2-CD2 3.47Å; H611-F707 VanDerWaalsContact CD2-CD2 3.47Å; H611-F707 WeakPolarHBondContact CD2-CD2 3.34Å; H611-F707 AromaticContact CD2-CE2 3.82Å; H611-F707 AromaticContact CE1-CD2 3.66Å; H611-F707 AromaticContact CG-CD2 3.71Å; H611-F707 AromaticContact ND1-CD2 3.84Å; H611-F707 AromaticContact NE2-CD2 3.45Å; H611-F707 WeakPolarHBondContact NE2-CD2 3.26Å; H611-F707 AromaticContact NE2-CE2 3.54Å; L614-F707 HydrophobicContact CD1-CD1 3.49Å; L614-F707 VanDerWaalsContact CD1-CD1 3.49Å; L614-F707 HydrophobicContact CD1-CE1 3.44Å; L614-F707 VanDerWaalsContact CD1-CE1 3.44Å; L614-F707 HydrophobicContact CD1-CG 4.2Å; L614-F707 HydrophobicContact CD1-CZ 4.08Å; I619-F707 HydrophobicContact CD1-CE1 4.36Å; I619-F707 HydrophobicContact CD1-CZ 4.09Å; I619-F707 HydrophobicContact CG2-CE1 4.41Å; I619-F707 HydrophobicContact CG2-CE2 4.14Å; I619-F707 HydrophobicContact CG2-CZ 3.66Å; L678-F707 HydrophobicContact CD1-CE1 4.31Å; L678-F707 HydrophobicContact CD2-CE1 4.18Å; I704-F707 WeakPolarHBondContact O-CZ 3.46Å; F707-T709 PolarHBondContact O-N 2.8Å; F707-C710 HydrophobicContact CB-CB 4.47Å; F707-C710 HydrophobicContact CD1-CB 4.42Å; F707-C710 WeakPolarHBondContact CD1-SG 3.32Å; F707-C710 VanDerWaalsContact O-CB 3.25Å; F707-C710 WeakPolarHBondContact O-CB 3.46Å; F707-C710 PolarHBondContact O-N 3.19Å |
| 708 | G | 70.2 | Confident | 66.9 | Low | 17 Ų | 17 | 33.4 Ų | 33.4 | 18% | 0.175 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -64.4 | -23.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | F573 E607 D706 | F573-G708 WeakPolarHBondContact CE2-O 3.4Å; E607-G708 VanDerWaalsContact CD-N 3.3Å; E607-G708 PolarHBondContact OE1-N 3.43Å; E607-G708 WeakPolarHBondContact OE2-CA 3.46Å; D706-G708 PolarHBondContact O-N 2.98Å |
| 709 | T | 70.4 | Confident | 65.3 | Low | 4 Ų | 4 | 33.2 Ų | 33.2 | 3% | 0.025 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -89.9 | -11.7 | 172.1 | 56.1 | 0 | 0 | 0 | 0 | 113.1 | T572 H685 R686 D687 F707 | T572-T709 HydrophobicContact CG2-CG2 4.3Å; H685-T709 CarbonylContact O-C 3.6Å; H685-T709 PolarHBondContact O-OG1 2.89Å; R686-T709 PolarHBondContact NE-O 3.43Å; R686-T709 PolarHBondContact NH2-O 3.41Å; D687-T709 HydrophobicContact CB-CG2 4.2Å; F707-T709 PolarHBondContact O-N 2.8Å |
| 710 | C | 69.9 | Low | 63.9 | Low | 11 Ų | 11 | 33.9 Ų | 33.9 | 7% | 0.074 | 20% | 0.203 | C | C | . | . | trans | -65.1 | 139.4 | -179.3 | -69.8 | 0 | 0 | 0 | 0 | 111.4 | L610 I683 V684 H685 F707 | L610-C710 HydrophobicContact CD1-CB 3.87Å; L610-C710 HydrophobicContact CD2-CB 4.06Å; I683-C710 HydrophobicContact CG2-CB 4.12Å; V684-C710 WeakPolarHBondContact O-CA 3.38Å; H685-C710 PolarHBondContact CD2-SG 2.99Å; F707-C710 HydrophobicContact CB-CB 4.47Å; F707-C710 HydrophobicContact CD1-CB 4.42Å; F707-C710 WeakPolarHBondContact CD1-SG 3.32Å; F707-C710 VanDerWaalsContact O-CB 3.25Å; F707-C710 WeakPolarHBondContact O-CB 3.46Å; F707-C710 PolarHBondContact O-N 3.19Å | ||
| 711 | K | 64 | Low | 62.2 | Low | 44 Ų | 44 | 43 Ų | 43 | 19% | 0.191 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 147.4 | 166.3 | -88.1 | -170.4 | 178.8 | -173.4 | 0 | 111.2 | I683 V684 L716 | I683-K711 WeakPolarHBondContact CA-O 3.38Å; V684-K711 PolarHBondContact N-O 2.86Å; V684-K711 PolarHBondContact O-N 3.41Å; K711-L716 HydrophobicContact CB-CD2 4.45Å; K711-L716 HydrophobicContact CD-CD2 3.78Å |
| 712 | R | 54 | Low | 60.6 | Low | 29 Ų | 29 | 42 Ų | 42 | 11% | 0.109 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 129.7 | 167.2 | -69 | -177.4 | 159 | -178.6 | -3.9 | 107.1 | R474 L610 T613 K682 I683 A714 G715 | R474-R712 VanDerWaalsContact NH2-CG 3.34Å; R474-R712 PolarHBondContact O-NH1 3.13Å; R474-R712 VanDerWaalsContact O-NH1 3.07Å; L610-R712 HydrophobicContact CD1-CG 4.01Å; T613-R712 PolarHBondContact OG1-NH2 3.07Å; K682-R712 WeakPolarHBondContact O-CA 3.4Å; I683-R712 HydrophobicContact CG1-CG 3.98Å; R712-A714 PolarHBondContact O-N 2.7Å; R712-G715 PolarHBondContact O-N 3.32Å |
| 713 | L | 50.1 | Low | 58.8 | Low | 60 Ų | 60 | 46 Ų | 46 | 31% | 0.314 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -50.2 | -36 | -171.9 | -82.9 | 168.2 | 0 | 0 | 0 | 113.7 | K682 V684 | K682-L713 HydrophobicContact CB-CD1 4.22Å; K682-L713 HydrophobicContact CD-CD1 4.18Å; K682-L713 PolarHBondContact O-N 2.88Å; V684-L713 HydrophobicContact CG2-CD1 4.49Å; V684-L713 HydrophobicContact CG2-CD2 3.35Å; V684-L713 HydrophobicContact CG2-CG 3.74Å |
| 714 | A | 38.1 | Very low | 57.2 | Low | 43 Ų | 43 | 46.9 Ų | 46.9 | 36% | 0.355 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -76.4 | -22.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D496 R712 L716 | D496-A714 VanDerWaalsContact CG-CB 3.41Å; D496-A714 WeakPolarHBondContact OD1-CB 3.14Å; D496-A714 WeakPolarHBondContact OD2-CB 3.49Å; D496-A714 VanDerWaalsContact OD2-O 3.13Å; R712-A714 PolarHBondContact O-N 2.7Å; A714-L716 VanDerWaalsContact C-N 3.31Å; A714-L716 PolarHBondContact O-N 3.44Å |
| 715 | G | 40.2 | Very low | 56 | Low | 21 Ų | 21 | 48.1 Ų | 48.1 | 22% | 0.216 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -84.3 | 21 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | R712 N717 | R712-G715 PolarHBondContact O-N 3.32Å; G715-N717 VanDerWaalsContact C-N 3.31Å; G715-N717 PolarHBondContact O-N 3.36Å; G715-N717 VanDerWaalsContact O-N 3.12Å |
| 716 | L | 44.6 | Very low | 55.7 | Low | 43 Ų | 43 | 48.9 Ų | 48.9 | 23% | 0.225 | 29% | 0.291 | C | S | . | . | trans | -85.3 | 69 | 177.1 | -71.7 | 169.9 | 0 | 0 | 0 | 111.4 | K711 A714 L739 Y742 | K711-L716 HydrophobicContact CB-CD2 4.45Å; K711-L716 HydrophobicContact CD-CD2 3.78Å; A714-L716 VanDerWaalsContact C-N 3.31Å; A714-L716 PolarHBondContact O-N 3.44Å; L716-L739 HydrophobicContact CD2-CD2 4.3Å; L716-Y742 VanDerWaalsContact CD1-O 3.27Å; L716-Y742 WeakPolarHBondContact CD1-O 3.36Å | ||
| 717 | N | 38.7 | Very low | 55.7 | Low | 67 Ų | 67 | 49.6 Ų | 49.6 | 36% | 0.358 | 30% | 0.296 | S | S | . | . | trans | -65.1 | 123.5 | 173.7 | -169.6 | -4.5 | 0 | 0 | 0 | 110.4 | G715 D719 A720 | G715-N717 VanDerWaalsContact C-N 3.31Å; G715-N717 PolarHBondContact O-N 3.36Å; G715-N717 VanDerWaalsContact O-N 3.12Å; N717-D719 PolarHBondContact O-N 2.97Å; N717-A720 WeakPolarHBondContact O-CB 3.33Å; N717-A720 PolarHBondContact O-N 2.82Å | ||
| 718 | P | 34.1 | Very low | 56 | Low | 71 Ų | 71 | 50.8 Ų | 50.8 | 46% | 0.461 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -22.1 | -176.9 | 22.3 | -35.1 | 0 | 0 | 0 | 115.1 | ||
| 719 | D | 34.1 | Very low | 57.1 | Low | 136 Ų | 136 | 50.5 Ų | 50.5 | 73% | 0.727 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 7 | -178.6 | -56.7 | -29.8 | 0 | 0 | 0 | 113.1 | N717 E721 | N717-D719 PolarHBondContact O-N 2.97Å; D719-E721 PolarHBondContact O-N 3.13Å |
| 720 | A | 39.1 | Very low | 58.1 | Low | 33 Ų | 33 | 50.7 Ų | 50.7 | 27% | 0.273 | 30% | 0.296 | S | S | . | . | trans | -82 | 101 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | N717 G722 L739 | N717-A720 WeakPolarHBondContact O-CB 3.33Å; N717-A720 PolarHBondContact O-N 2.82Å; A720-G722 PolarHBondContact O-N 3.17Å; A720-L739 WeakPolarHBondContact O-CD1 3.49Å | ||
| 721 | E | 38.8 | Very low | 59.1 | Low | 202 Ų | 202 | 50.2 Ų | 50.2 | 94% | 0.944 | 29% | 0.293 | S | S | * | . | trans | -54.2 | 128.6 | 179.6 | -63.1 | -177 | 143.8 | 0 | 0 | 113.1 | D719 | D719-E721 PolarHBondContact O-N 3.13Š| ||
| 722 | G | 47.1 | Very low | 60.4 | Low | 38 Ų | 38 | 48.2 Ų | 48.2 | 39% | 0.392 | 28% | 0.284 | S | S | . | . | trans | 127.7 | 108.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | A720 T724 L739 | A720-G722 PolarHBondContact O-N 3.17Å; G722-T724 PolarHBondContact O-N 3.45Å; G722-L739 WeakPolarHBondContact O-CD1 3.29Å | ||
| 723 | M | 53.3 | Low | 62.1 | Low | 87 Ų | 87 | 47.4 Ų | 47.4 | 43% | 0.429 | 28% | 0.282 | S | S | . | . | trans | -74.1 | 104 | 164.4 | 179.8 | 169.1 | 167.3 | 0 | 0 | 109 | M730 I735 M775 | M723-M730 HydrophobicContact CE-CE 3.9Å; M723-M730 HydrophobicContact CE-SD 3.43Å; M723-M730 WeakPolarHBondContact CE-SD 3.36Å; M723-M730 HydrophobicContact CG-CE 4.06Å; M723-I735 HydrophobicContact CE-CG1 4.36Å; M723-M775 HydrophobicContact CE-SD 3.75Å | ||
| 724 | T | 60.1 | Low | 63.9 | Low | 41 Ų | 41 | 44.6 Ų | 44.6 | 25% | 0.252 | 27% | 0.267 | S | S | . | . | trans | -111.4 | 106 | -169.1 | 56.3 | 0 | 0 | 0 | 0 | 113.3 | R686 G722 Y742 | R686-T724 PolarHBondContact NH1-OG1 2.89Å; R686-T724 PolarHBondContact NH2-OG1 2.69Å; R686-T724 VanDerWaalsContact NH2-OG1 3.15Å; G722-T724 PolarHBondContact O-N 3.45Å; T724-Y742 PolarHBondContact O-OH 2.97Å | ||
| 725 | G | 70.1 | Confident | 66.1 | Low | 26 Ų | 26 | 44.3 Ų | 44.3 | 27% | 0.268 | 26% | 0.259 | S | S | . | . | S | Bend | trans | 172 | 174.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | M730 | G725-M730 VanDerWaalsContact O-CE 3.27Å; G725-M730 WeakPolarHBondContact O-CE 3.47Å |
| 726 | T | 85.3 | Confident | 68 | Low | 32 Ų | 32 | 49.3 Ų | 49.3 | 20% | 0.196 | 28% | 0.277 | C | S | . | . | trans | -83.6 | 119.8 | 178.5 | -53.5 | 0 | 0 | 0 | 0 | 111.3 | D687 K689 Q728 Y729 M730 | D687-T726 VanDerWaalsContact OD1-CB 3.32Å; D687-T726 WeakPolarHBondContact OD1-CB 3.47Å; D687-T726 PolarHBondContact OD1-N 2.67Å; D687-T726 PolarHBondContact OD1-OG1 3.48Å; K689-T726 HydrophobicContact CD-CG2 4.43Å; K689-T726 VanDerWaalsContact CD-OG1 3.28Å; K689-T726 WeakPolarHBondContact CD-OG1 3.44Å; K689-T726 PolarHBondContact NZ-OG1 2.91Å; T726-Q728 VanDerWaalsContact C-N 3.29Å; T726-Q728 PolarHBondContact O-N 3.08Å; T726-Y729 HydrophobicContact CG2-CD2 3.7Å; T726-Y729 HydrophobicContact CG2-CE2 4.09Å; T726-Y729 PolarHBondContact O-N 2.96Å; T726-M730 PolarHBondContact O-N 3.49Å | ||
| 727 | P | 84.7 | Confident | 69.5 | Low | 34 Ų | 34 | 53 Ų | 53 | 22% | 0.221 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -53.9 | -34.7 | -168.9 | -31.1 | 36.1 | 0 | 0 | 0 | 116.5 | Y729 P771 M775 | P727-Y729 PolarHBondContact O-N 3.26Å; P727-P771 HydrophobicContact CB-CB 4.25Å; P727-M775 HydrophobicContact CB-CB 4.19Å; P727-M775 HydrophobicContact CB-SD 4.41Å |
| 728 | Q | 89.4 | Confident | 71.3 | Confident | 27 Ų | 27 | 50.7 Ų | 50.7 | 13% | 0.126 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -74 | -12.8 | -179.5 | -54.2 | 173.1 | -63.2 | 0 | 0 | 113.9 | T726 P764 P771 S774 | T726-Q728 VanDerWaalsContact C-N 3.29Å; T726-Q728 PolarHBondContact O-N 3.08Å; Q728-P764 HydrophobicContact CB-CG 3.9Å; Q728-P764 PolarHBondContact NE2-O 3.34Å; Q728-P764 WeakPolarHBondContact O-CG 3.49Å; Q728-P771 HydrophobicContact CG-CB 3.88Å; Q728-P771 HydrophobicContact CG-CG 4.46Å; Q728-S774 WeakPolarHBondContact CA-OG 3.31Å; Q728-S774 WeakPolarHBondContact CG-OG 3.28Å |
| 729 | Y | 93.6 | Very high | 72.8 | Confident | 11 Ų | 11 | 48.6 Ų | 48.6 | 4% | 0.043 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -111 | -2.9 | -178.6 | -63.3 | -100.7 | 0 | 0 | 0 | 112.5 | I688 K689 T726 P727 S750 C753 E757 P764 | I688-Y729 WeakPolarHBondContact O-CD1 3.35Å; K689-Y729 HydrophobicContact CB-CD1 3.84Å; K689-Y729 HydrophobicContact CB-CD2 4.14Å; K689-Y729 HydrophobicContact CB-CE1 3.59Å; K689-Y729 HydrophobicContact CB-CE2 3.89Å; K689-Y729 HydrophobicContact CB-CG 4.11Å; T726-Y729 HydrophobicContact CG2-CD2 3.7Å; T726-Y729 HydrophobicContact CG2-CE2 4.09Å; T726-Y729 PolarHBondContact O-N 2.96Å; P727-Y729 PolarHBondContact O-N 3.26Å; Y729-S750 PolarHBondContact O-OG 3.34Å; Y729-C753 HydrophobicContact CD1-CB 3.49Å; Y729-C753 VanDerWaalsContact CD1-CB 3.49Å; Y729-C753 HydrophobicContact CE1-CB 3.98Å; Y729-C753 HydrophobicContact CG-CB 4.22Å; Y729-E757 PolarHBondContact OH-OE1 2.87Å; Y729-E757 PolarHBondContact OH-OE2 3.29Å; Y729-E757 VanDerWaalsContact OH-OE2 3.12Å; Y729-P764 HydrophobicContact CD1-CG 4.11Å; Y729-P764 HydrophobicContact CD2-CG 4.06Å; Y729-P764 HydrophobicContact CE1-CG 3.78Å; Y729-P764 HydrophobicContact CE2-CG 3.76Å; Y729-P764 HydrophobicContact CG-CG 4.23Å; Y729-P764 WeakPolarHBondContact OH-CD 3.44Å |
| 730 | M | 91.1 | Very high | 74.4 | Confident | 9 Ų | 9 | 51.1 Ų | 51.1 | 4% | 0.044 | 27% | 0.27 | C | S | . | . | trans | -70.2 | 138.6 | -178.9 | -75.2 | 176.1 | 169.7 | 0 | 0 | 112 | M723 G725 T726 V734 I735 W749 M775 | M723-M730 HydrophobicContact CE-CE 3.9Å; M723-M730 HydrophobicContact CE-SD 3.43Å; M723-M730 WeakPolarHBondContact CE-SD 3.36Å; M723-M730 HydrophobicContact CG-CE 4.06Å; G725-M730 VanDerWaalsContact O-CE 3.27Å; G725-M730 WeakPolarHBondContact O-CE 3.47Å; T726-M730 PolarHBondContact O-N 3.49Å; M730-V734 HydrophobicContact CG-CG1 4.43Å; M730-I735 HydrophobicContact CB-CD1 4.03Å; M730-I735 HydrophobicContact CB-CG1 3.99Å; M730-W749 PolarHBondContact O-NE1 2.78Å; M730-M775 HydrophobicContact SD-SD 4.12Å | ||
| 731 | A | 91.6 | Very high | 75.9 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | trans | -77 | 151.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | E733 V734 I735 A746 W749 | A731-E733 VanDerWaalsContact C-N 3.29Å; A731-E733 VanDerWaalsContact CB-CD 3.46Å; A731-E733 VanDerWaalsContact CB-OE1 3.28Å; A731-E733 WeakPolarHBondContact CB-OE1 3.26Å; A731-E733 WeakPolarHBondContact CB-OE2 3.48Å; A731-E733 PolarHBondContact O-N 3.48Å; A731-V734 HydrophobicContact CB-CG2 4.34Å; A731-V734 WeakPolarHBondContact O-CB 3.29Å; A731-V734 PolarHBondContact O-N 2.81Å; A731-V734 VanDerWaalsContact O-N 3.12Å; A731-I735 PolarHBondContact O-N 3.23Å; A731-A746 HydrophobicContact CB-CB 4.07Å; A731-W749 HydrophobicContact CB-CB 3.73Å; A731-W749 HydrophobicContact CB-CD2 4.32Å; A731-W749 HydrophobicContact CB-CG 3.76Å | ||
| 732 | P | 90.9 | Very high | 77.7 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.4 | -38.3 | -177.1 | 21.3 | -32.1 | 0 | 0 | 0 | 113.3 | V734 I735 E736 W749 V778 K782 | P732-V734 VanDerWaalsContact C-N 3.31Å; P732-V734 PolarHBondContact O-N 2.81Å; P732-I735 PolarHBondContact O-N 2.91Å; P732-E736 PolarHBondContact O-N 3.43Å; P732-W749 HydrophobicContact CG-CE3 4.3Å; P732-W749 HydrophobicContact CG-CH2 4.23Å; P732-W749 HydrophobicContact CG-CZ3 4Å; P732-V778 HydrophobicContact CB-CG1 4.09Å; P732-K782 HydrophobicContact CB-CD 3.51Å; P732-K782 HydrophobicContact CG-CD 4.3Å |
| 733 | E | 89 | Confident | 79.3 | Confident | 12 Ų | 12 | 39.6 Ų | 39.6 | 6% | 0.056 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.1 | -31 | 178.9 | 68.2 | -82.4 | -169.4 | 0 | 0 | 113 | A731 I735 E737 G741 P807 R810 | A731-E733 VanDerWaalsContact C-N 3.29Å; A731-E733 VanDerWaalsContact CB-CD 3.46Å; A731-E733 VanDerWaalsContact CB-OE1 3.28Å; A731-E733 WeakPolarHBondContact CB-OE1 3.26Å; A731-E733 WeakPolarHBondContact CB-OE2 3.48Å; A731-E733 PolarHBondContact O-N 3.48Å; E733-I735 VanDerWaalsContact C-N 3.33Å; E733-E737 WeakPolarHBondContact O-CB 3.28Å; E733-E737 PolarHBondContact O-N 3.27Å; E733-G741 WeakPolarHBondContact CG-O 3.38Å; E733-P807 HydrophobicContact CB-CG 4.16Å; E733-P807 HydrophobicContact CG-CB 4.13Å; E733-P807 HydrophobicContact CG-CG 4.11Å; E733-R810 IonicContact OE1-CZ 2.69Å; E733-R810 IonicContact OE1-NH1 3.54Å; E733-R810 PolarHBondContact OE1-NH1 2.82Å; E733-R810 IonicContact OE1-NH2 2.81Å; E733-R810 IonicContact OE2-CZ 3.19Å; E733-R810 IonicContact OE2-NH1 3.55Å; E733-R810 PolarHBondContact OE2-NH1 2.82Å; E733-R810 IonicContact OE2-NH2 3.21Å; E733-R810 PolarHBondContact OE2-NH2 2.56Å |
| 734 | V | 87.4 | Confident | 80.9 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70.5 | -32 | 175.5 | 169.8 | 0 | 0 | 0 | 0 | 111.3 | M730 A731 P732 G738 Y742 A746 | M730-V734 HydrophobicContact CG-CG1 4.43Å; A731-V734 HydrophobicContact CB-CG2 4.34Å; A731-V734 WeakPolarHBondContact O-CB 3.29Å; A731-V734 PolarHBondContact O-N 2.81Å; A731-V734 VanDerWaalsContact O-N 3.12Å; P732-V734 VanDerWaalsContact C-N 3.31Å; P732-V734 PolarHBondContact O-N 2.81Å; V734-G738 WeakPolarHBondContact O-CA 3.29Å; V734-G738 PolarHBondContact O-N 3.34Å; V734-Y742 HydrophobicContact CB-CE2 4.44Å; V734-Y742 HydrophobicContact CG1-CD2 4.04Å; V734-Y742 HydrophobicContact CG1-CE1 4.07Å; V734-Y742 HydrophobicContact CG1-CE2 3.4Å; V734-Y742 VanDerWaalsContact CG1-CE2 3.4Å; V734-Y742 VanDerWaalsContact CG1-CZ 3.42Å; V734-Y742 HydrophobicContact CG2-CD1 3.75Å; V734-Y742 HydrophobicContact CG2-CD2 4.13Å; V734-Y742 HydrophobicContact CG2-CE1 3.79Å; V734-Y742 HydrophobicContact CG2-CE2 4.17Å; V734-Y742 HydrophobicContact CG2-CG 3.94Å; V734-A746 HydrophobicContact CG2-CB 3.87Å |
| 735 | I | 84.8 | Confident | 82.5 | Confident | 38 Ų | 38 | 36.3 Ų | 36.3 | 20% | 0.195 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -77.3 | -31.5 | -179.5 | -61 | 165.8 | 0 | 0 | 0 | 110.8 | M723 M730 A731 P732 E733 M775 V778 | M723-I735 HydrophobicContact CE-CG1 4.36Å; M730-I735 HydrophobicContact CB-CD1 4.03Å; M730-I735 HydrophobicContact CB-CG1 3.99Å; A731-I735 PolarHBondContact O-N 3.23Å; P732-I735 PolarHBondContact O-N 2.91Å; E733-I735 VanDerWaalsContact C-N 3.33Å; I735-M775 HydrophobicContact CD1-CG 3.78Å; I735-M775 HydrophobicContact CG1-CG 3.87Å; I735-M775 HydrophobicContact CG2-CG 4.05Å; I735-V778 HydrophobicContact CD1-CB 3.8Å; I735-V778 HydrophobicContact CD1-CG1 3.73Å |
| 736 | E | 81.1 | Confident | 83.5 | Confident | 126 Ų | 126 | 35.2 Ų | 35.2 | 59% | 0.589 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -83.4 | -46.9 | 176.4 | -76.2 | 174.9 | 145.4 | 0 | 0 | 113.7 | P732 K782 | P732-E736 PolarHBondContact O-N 3.43Å; E736-K782 IonicContact OE1-NZ 2.68Å; E736-K782 PolarHBondContact OE1-NZ 2.88Å; E736-K782 IonicContact OE2-NZ 2.77Å; E736-K782 PolarHBondContact OE2-NZ 2.92Å |
| 737 | E | 75.6 | Confident | 84 | Confident | 119 Ų | 119 | 33.7 Ų | 33.7 | 56% | 0.556 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -102.4 | 0.9 | -170.6 | -52.9 | -171 | 170.4 | 0 | 0 | 113.2 | E733 L739 R740 | E733-E737 WeakPolarHBondContact O-CB 3.28Å; E733-E737 PolarHBondContact O-N 3.27Å; E737-L739 PolarHBondContact O-N 2.9Å; E737-R740 HydrophobicContact CB-CB 4.09Å; E737-R740 WeakPolarHBondContact O-CB 3.49Å; E737-R740 PolarHBondContact O-N 2.98Å; E737-R740 VanDerWaalsContact O-N 3.1Å |
| 738 | G | 75.4 | Confident | 84.6 | Confident | 20 Ų | 20 | 32.1 Ų | 32.1 | 21% | 0.206 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | 59.7 | -125.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112 | V734 R740 G741 | V734-G738 WeakPolarHBondContact O-CA 3.29Å; V734-G738 PolarHBondContact O-N 3.34Å; G738-R740 PolarHBondContact O-N 2.98Å; G738-G741 PolarHBondContact O-N 3.27Å |
| 739 | L | 66.2 | Low | 85 | Confident | 27 Ų | 27 | 30.8 Ų | 30.8 | 14% | 0.141 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -61.4 | -25 | 177 | -87.3 | 116.1 | 0 | 0 | 0 | 114.1 | L716 A720 G722 E737 | L716-L739 HydrophobicContact CD2-CD2 4.3Å; A720-L739 WeakPolarHBondContact O-CD1 3.49Å; G722-L739 WeakPolarHBondContact O-CD1 3.29Å; E737-L739 PolarHBondContact O-N 2.9Å |
| 740 | R | 67.1 | Low | 85.1 | Confident | 188 Ų | 188 | 30.5 Ų | 30.5 | 71% | 0.709 | 16% | 0.157 | S | C | * | . | G | 310 helix | trans | -75 | -29.6 | -177.4 | -63.4 | -177.5 | -178.9 | -172.7 | 1.4 | 112.6 | E737 G738 Y742 | E737-R740 HydrophobicContact CB-CB 4.09Å; E737-R740 WeakPolarHBondContact O-CB 3.49Å; E737-R740 PolarHBondContact O-N 2.98Å; E737-R740 VanDerWaalsContact O-N 3.1Å; G738-R740 PolarHBondContact O-N 2.98Å; R740-Y742 PolarHBondContact O-N 3.11Å |
| 741 | G | 71.6 | Confident | 85.5 | Confident | 6 Ų | 6 | 30.1 Ų | 30.1 | 6% | 0.062 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -71.7 | -8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | E733 G738 G743 | E733-G741 WeakPolarHBondContact CG-O 3.38Å; G738-G741 PolarHBondContact O-N 3.27Å; G741-G743 PolarHBondContact O-N 3.44Å |
| 742 | Y | 75.6 | Confident | 85.8 | Confident | 7 Ų | 7 | 30 Ų | 30 | 3% | 0.027 | 15% | 0.154 | C | C | . | . | trans | -77 | 88.7 | 179.6 | -87.3 | -67.4 | 0 | 0 | 0 | 112.9 | R686 L716 T724 V734 R740 A746 | R686-Y742 HydrophobicContact CB-CD1 3.73Å; R686-Y742 HydrophobicContact CB-CE1 3.45Å; R686-Y742 VanDerWaalsContact CB-CE1 3.45Å; R686-Y742 HydrophobicContact CB-CG 4.49Å; R686-Y742 HydrophobicContact CG-CD1 3.46Å; R686-Y742 VanDerWaalsContact CG-CD1 3.46Å; R686-Y742 HydrophobicContact CG-CE1 3.78Å; R686-Y742 HydrophobicContact CG-CG 3.96Å; R686-Y742 PolarHBondContact O-OH 3.36Å; L716-Y742 VanDerWaalsContact CD1-O 3.27Å; L716-Y742 WeakPolarHBondContact CD1-O 3.36Å; T724-Y742 PolarHBondContact O-OH 2.97Å; V734-Y742 HydrophobicContact CB-CE2 4.44Å; V734-Y742 HydrophobicContact CG1-CD2 4.04Å; V734-Y742 HydrophobicContact CG1-CE1 4.07Å; V734-Y742 HydrophobicContact CG1-CE2 3.4Å; V734-Y742 VanDerWaalsContact CG1-CE2 3.4Å; V734-Y742 VanDerWaalsContact CG1-CZ 3.42Å; V734-Y742 HydrophobicContact CG2-CD1 3.75Å; V734-Y742 HydrophobicContact CG2-CD2 4.13Å; V734-Y742 HydrophobicContact CG2-CE1 3.79Å; V734-Y742 HydrophobicContact CG2-CE2 4.17Å; V734-Y742 HydrophobicContact CG2-CG 3.94Å; R740-Y742 PolarHBondContact O-N 3.11Å; Y742-A746 HydrophobicContact CD1-CB 4.1Å | ||
| 743 | G | 80.8 | Confident | 86.1 | Confident | 19 Ų | 19 | 30 Ų | 30 | 20% | 0.196 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -110 | 178.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V684 G741 A746 | V684-G743 WeakPolarHBondContact CG1-O 3.29Å; G741-G743 PolarHBondContact O-N 3.44Å; G743-A746 WeakPolarHBondContact O-CB 3.5Å; G743-A746 PolarHBondContact O-N 3.27Å |
| 744 | A | 87.8 | Confident | 86.5 | Confident | 27 Ų | 27 | 29.4 Ų | 29.4 | 22% | 0.223 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -51.6 | -35.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | H679 A746 D747 | H679-A744 HydrophobicContact CB-CB 4.38Å; H679-A744 PolarHBondContact CE1-O 3.44Å; H679-A744 VanDerWaalsContact CE1-O 3.25Å; A744-A746 PolarHBondContact O-N 3.45Å; A744-D747 PolarHBondContact O-N 3.07Å |
| 745 | P | 92.5 | Very high | 86.9 | Confident | 32 Ų | 32 | 29.4 Ų | 29.4 | 21% | 0.208 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.1 | -29.2 | 172.9 | -28.2 | 37.5 | 0 | 0 | 0 | 114.9 | I748 W749 P807 R810 | P745-I748 WeakPolarHBondContact O-CB 3.42Å; P745-I748 PolarHBondContact O-N 3.31Å; P745-I748 VanDerWaalsContact O-N 3.16Å; P745-W749 PolarHBondContact O-N 2.92Å; P745-W749 VanDerWaalsContact O-N 3.16Å; P745-P807 HydrophobicContact CB-CB 3.79Å; P745-P807 WeakPolarHBondContact CB-O 3.14Å; P745-P807 HydrophobicContact CG-CB 4.13Å; P745-P807 WeakPolarHBondContact CG-O 3.37Å; P745-R810 VanDerWaalsContact C-NH1 3.32Å; P745-R810 HydrophobicContact CB-CB 4.36Å; P745-R810 VanDerWaalsContact O-CD 3.32Å; P745-R810 WeakPolarHBondContact O-CD 3.06Å; P745-R810 PolarHBondContact O-NH1 3.5Å |
| 746 | A | 93 | Very high | 87.5 | Confident | 2 Ų | 2 | 27.8 Ų | 27.8 | 2% | 0.017 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66 | -42.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A731 V734 Y742 G743 A744 I748 W749 S750 | A731-A746 HydrophobicContact CB-CB 4.07Å; V734-A746 HydrophobicContact CG2-CB 3.87Å; Y742-A746 HydrophobicContact CD1-CB 4.1Å; G743-A746 WeakPolarHBondContact O-CB 3.5Å; G743-A746 PolarHBondContact O-N 3.27Å; A744-A746 PolarHBondContact O-N 3.45Å; A746-I748 PolarHBondContact O-N 2.84Å; A746-W749 WeakPolarHBondContact O-CB 3.5Å; A746-W749 PolarHBondContact O-N 2.85Å; A746-S750 PolarHBondContact O-N 2.88Å; A746-S750 VanDerWaalsContact O-N 3.08Å; A746-S750 PolarHBondContact O-OG 3.38Å |
| 747 | D | 95 | Very high | 88.3 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.6 | -30.5 | 173.8 | -70 | -23 | 0 | 0 | 0 | 112.1 | L675 H679 V684 H685 R686 I688 A744 F751 | L675-D747 HydrophobicContact CD1-CB 4.4Å; L675-D747 HydrophobicContact CD2-CB 3.92Å; H679-D747 IonicContact CD2-OD2 3.64Å; H679-D747 IonicContact CE1-OD2 2.71Å; H679-D747 IonicContact NE2-OD2 3.99Å; H679-D747 PolarHBondContact NE2-OD2 2.93Å; V684-D747 WeakPolarHBondContact CA-OD2 3.48Å; V684-D747 WeakPolarHBondContact CG1-OD1 3.29Å; V684-D747 WeakPolarHBondContact CG1-OD2 3.21Å; H685-D747 PolarHBondContact N-OD1 3.18Å; H685-D747 PolarHBondContact N-OD2 2.98Å; R686-D747 PolarHBondContact N-OD1 2.94Å; I688-D747 HydrophobicContact CG1-CB 4.33Å; A744-D747 PolarHBondContact O-N 3.07Å; D747-F751 WeakPolarHBondContact O-CB 3.41Å; D747-F751 PolarHBondContact O-N 3.2Å |
| 748 | I | 97.8 | Very high | 89.3 | Confident | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -69.9 | -39.4 | 177.6 | -58.4 | -54.5 | 0 | 0 | 0 | 111.5 | P745 A746 F751 G752 C802 R810 A813 L816 | P745-I748 WeakPolarHBondContact O-CB 3.42Å; P745-I748 PolarHBondContact O-N 3.31Å; P745-I748 VanDerWaalsContact O-N 3.16Å; A746-I748 PolarHBondContact O-N 2.84Å; I748-F751 WeakPolarHBondContact O-CB 3.2Å; I748-F751 PolarHBondContact O-N 2.83Å; I748-G752 PolarHBondContact O-N 3.47Å; I748-C802 HydrophobicContact CG2-CB 4.24Å; I748-R810 HydrophobicContact CB-CG 4.48Å; I748-R810 HydrophobicContact CG2-CG 4.09Å; I748-A813 HydrophobicContact CD1-CB 3.95Å; I748-L816 HydrophobicContact CD1-CD1 4.2Å; I748-L816 HydrophobicContact CG2-CD1 3.49Å; I748-L816 VanDerWaalsContact CG2-CD1 3.49Å |
| 749 | W | 97.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.7 | -48 | 172.2 | 179.3 | -79.7 | 0 | 0 | 0 | 111 | M730 A731 P732 P745 A746 F751 G752 C753 V778 H784 F803 | M730-W749 PolarHBondContact O-NE1 2.78Å; A731-W749 HydrophobicContact CB-CB 3.73Å; A731-W749 HydrophobicContact CB-CD2 4.32Å; A731-W749 HydrophobicContact CB-CG 3.76Å; P732-W749 HydrophobicContact CG-CE3 4.3Å; P732-W749 HydrophobicContact CG-CH2 4.23Å; P732-W749 HydrophobicContact CG-CZ3 4Å; P745-W749 PolarHBondContact O-N 2.92Å; P745-W749 VanDerWaalsContact O-N 3.16Å; A746-W749 WeakPolarHBondContact O-CB 3.5Å; A746-W749 PolarHBondContact O-N 2.85Å; W749-F751 VanDerWaalsContact C-N 3.28Å; W749-F751 PolarHBondContact O-N 3.28Å; W749-G752 WeakPolarHBondContact O-CA 3.33Å; W749-G752 PolarHBondContact O-N 2.8Å; W749-C753 PolarHBondContact O-N 3.26Å; W749-V778 HydrophobicContact CH2-CG1 4.38Å; W749-V778 HydrophobicContact CZ2-CG1 3.72Å; W749-V778 HydrophobicContact CZ2-CG2 4.46Å; W749-H784 HydrophobicContact CH2-CB 4.16Å; W749-H784 HydrophobicContact CZ2-CB 4.36Å; W749-F803 AromaticContact CD2-CD1 3.8Å; W749-F803 HydrophobicContact CD2-CD1 3.8Å; W749-F803 HydrophobicContact CD2-CE1 4.36Å; W749-F803 AromaticContact CE2-CD1 3.95Å; W749-F803 HydrophobicContact CE3-CB 4.37Å; W749-F803 AromaticContact CE3-CD1 3.88Å; W749-F803 HydrophobicContact CE3-CD1 3.88Å; W749-F803 HydrophobicContact CG-CD1 4.35Å; W749-F803 HydrophobicContact CH2-CB 4.44Å; W749-F803 HydrophobicContact CH2-CD1 4.23Å; W749-F803 HydrophobicContact CZ2-CD1 4.16Å; W749-F803 HydrophobicContact CZ3-CB 4.03Å; W749-F803 HydrophobicContact CZ3-CD1 4.1Å; W749-F803 WeakPolarHBondContact CZ3-O 3.34Å |
| 750 | S | 96.8 | Very high | 91.6 | Very high | 5 Ų | 5 | 16.3 Ų | 16.3 | 4% | 0.035 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.4 | -33.9 | 176.1 | -54.1 | 0 | 0 | 0 | 0 | 112.9 | I688 Y729 A746 C753 T754 | I688-S750 WeakPolarHBondContact O-CB 3.48Å; Y729-S750 PolarHBondContact O-OG 3.34Å; A746-S750 PolarHBondContact O-N 2.88Å; A746-S750 VanDerWaalsContact O-N 3.08Å; A746-S750 PolarHBondContact O-OG 3.38Å; S750-C753 WeakPolarHBondContact O-CB 3.41Å; S750-C753 PolarHBondContact O-N 2.78Å; S750-T754 PolarHBondContact O-N 3.24Å; S750-T754 PolarHBondContact O-OG1 2.82Å |
| 751 | F | 98.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -64.6 | -41.9 | 169 | 163.6 | -99.8 | 0 | 0 | 0 | 112.4 | A668 I671 L672 L675 D747 I748 W749 C753 T754 M755 | A668-F751 HydrophobicContact CB-CE2 3.93Å; A668-F751 HydrophobicContact CB-CZ 3.91Å; A668-F751 WeakPolarHBondContact O-CE2 3.41Å; I671-F751 HydrophobicContact CB-CD2 4.18Å; I671-F751 HydrophobicContact CB-CE2 4.2Å; I671-F751 HydrophobicContact CG2-CD2 3.74Å; I671-F751 HydrophobicContact CG2-CE2 4.27Å; L672-F751 HydrophobicContact CD1-CE1 3.93Å; L672-F751 HydrophobicContact CD1-CE2 4.33Å; L672-F751 HydrophobicContact CD1-CZ 3.6Å; L672-F751 HydrophobicContact CD2-CD1 3.83Å; L672-F751 HydrophobicContact CD2-CD2 4.32Å; L672-F751 HydrophobicContact CD2-CE1 3.65Å; L672-F751 HydrophobicContact CD2-CE2 4.15Å; L672-F751 HydrophobicContact CD2-CG 4.17Å; L672-F751 HydrophobicContact CD2-CZ 3.82Å; L672-F751 HydrophobicContact CG-CD1 4.41Å; L672-F751 HydrophobicContact CG-CD2 4.33Å; L672-F751 HydrophobicContact CG-CE1 3.84Å; L672-F751 HydrophobicContact CG-CE2 3.74Å; L672-F751 HydrophobicContact CG-CZ 3.46Å; L672-F751 VanDerWaalsContact CG-CZ 3.46Å; L675-F751 HydrophobicContact CD1-CB 3.99Å; L675-F751 HydrophobicContact CD1-CG 4.49Å; D747-F751 WeakPolarHBondContact O-CB 3.41Å; D747-F751 PolarHBondContact O-N 3.2Å; I748-F751 WeakPolarHBondContact O-CB 3.2Å; I748-F751 PolarHBondContact O-N 2.83Å; W749-F751 VanDerWaalsContact C-N 3.28Å; W749-F751 PolarHBondContact O-N 3.28Å; F751-C753 VanDerWaalsContact C-N 3.34Å; F751-C753 PolarHBondContact O-N 2.54Å; F751-T754 CarbonylContact O-C 3.49Å; F751-T754 WeakPolarHBondContact O-CA 3.31Å; F751-T754 WeakPolarHBondContact O-CB 3.48Å; F751-T754 PolarHBondContact O-N 3.24Å; F751-T754 VanDerWaalsContact O-N 3.08Å; F751-M755 HydrophobicContact CE1-CG 4.22Å; F751-M755 HydrophobicContact CE1-SD 3.76Å; F751-M755 HydrophobicContact CE2-CG 4.11Å; F751-M755 HydrophobicContact CE2-SD 4.43Å; F751-M755 HydrophobicContact CZ-CG 3.86Å; F751-M755 HydrophobicContact CZ-SD 3.6Å; F751-M755 PolarHBondContact O-N 3.33Å |
| 752 | G | 97.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -57.2 | -45.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I748 W749 T754 M755 I756 | I748-G752 PolarHBondContact O-N 3.47Å; W749-G752 WeakPolarHBondContact O-CA 3.33Å; W749-G752 PolarHBondContact O-N 2.8Å; G752-T754 VanDerWaalsContact C-N 3.31Å; G752-T754 PolarHBondContact O-N 2.89Å; G752-M755 WeakPolarHBondContact O-CB 3.2Å; G752-M755 PolarHBondContact O-N 3.36Å; G752-M755 VanDerWaalsContact O-N 3.17Å; G752-I756 PolarHBondContact O-N 2.91Å; G752-I756 VanDerWaalsContact O-N 3.13Å |
| 753 | C | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59.1 | -39.7 | 171.7 | -80 | 0 | 0 | 0 | 0 | 112.6 | Y729 W749 S750 F751 M755 I756 E757 P764 | Y729-C753 HydrophobicContact CD1-CB 3.49Å; Y729-C753 VanDerWaalsContact CD1-CB 3.49Å; Y729-C753 HydrophobicContact CE1-CB 3.98Å; Y729-C753 HydrophobicContact CG-CB 4.22Å; W749-C753 PolarHBondContact O-N 3.26Å; S750-C753 WeakPolarHBondContact O-CB 3.41Å; S750-C753 PolarHBondContact O-N 2.78Å; F751-C753 VanDerWaalsContact C-N 3.34Å; F751-C753 PolarHBondContact O-N 2.54Å; C753-M755 VanDerWaalsContact C-N 3.34Å; C753-M755 PolarHBondContact O-N 2.88Å; C753-I756 WeakPolarHBondContact O-CB 3.32Å; C753-I756 PolarHBondContact O-N 3.31Å; C753-E757 PolarHBondContact O-N 3.36Å; C753-P764 HydrophobicContact CB-CB 4.13Å; C753-P764 HydrophobicContact CB-CG 3.96Å |
| 754 | T | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -68.3 | -30.6 | 176.3 | -51.7 | 0 | 0 | 0 | 0 | 112.3 | L646 I671 S750 F751 G752 E757 M758 | L646-T754 HydrophobicContact CD2-CG2 3.86Å; I671-T754 HydrophobicContact CD1-CG2 4.32Å; S750-T754 PolarHBondContact O-N 3.24Å; S750-T754 PolarHBondContact O-OG1 2.82Å; F751-T754 CarbonylContact O-C 3.49Å; F751-T754 WeakPolarHBondContact O-CA 3.31Å; F751-T754 WeakPolarHBondContact O-CB 3.48Å; F751-T754 PolarHBondContact O-N 3.24Å; F751-T754 VanDerWaalsContact O-N 3.08Å; G752-T754 VanDerWaalsContact C-N 3.31Å; G752-T754 PolarHBondContact O-N 2.89Å; T754-E757 PolarHBondContact O-N 3.24Å; T754-M758 PolarHBondContact O-N 2.98Å |
| 755 | M | 97.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 12.8 Ų | 12.8 | 1% | 0.005 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -67.5 | -37.8 | 170.3 | -72.7 | -165.3 | 71.1 | 0 | 0 | 112.7 | I664 A668 F751 G752 C753 E757 M758 A759 L798 I799 F821 | I664-M755 HydrophobicContact CG2-CE 3.75Å; A668-M755 HydrophobicContact CB-CE 4.29Å; A668-M755 HydrophobicContact CB-CG 4.34Å; A668-M755 HydrophobicContact CB-SD 4.31Å; F751-M755 HydrophobicContact CE1-CG 4.22Å; F751-M755 HydrophobicContact CE1-SD 3.76Å; F751-M755 HydrophobicContact CE2-CG 4.11Å; F751-M755 HydrophobicContact CE2-SD 4.43Å; F751-M755 HydrophobicContact CZ-CG 3.86Å; F751-M755 HydrophobicContact CZ-SD 3.6Å; F751-M755 PolarHBondContact O-N 3.33Å; G752-M755 WeakPolarHBondContact O-CB 3.2Å; G752-M755 PolarHBondContact O-N 3.36Å; G752-M755 VanDerWaalsContact O-N 3.17Å; C753-M755 VanDerWaalsContact C-N 3.34Å; C753-M755 PolarHBondContact O-N 2.88Å; M755-E757 VanDerWaalsContact C-N 3.34Å; M755-M758 HydrophobicContact CG-CE 4.1Å; M755-M758 PolarHBondContact O-N 2.98Å; M755-A759 PolarHBondContact O-N 3.09Å; M755-L798 HydrophobicContact CE-CD2 3.88Å; M755-L798 HydrophobicContact SD-CD2 3.91Å; M755-L798 HydrophobicContact SD-CG 4.23Å; M755-I799 HydrophobicContact CB-CD1 4.27Å; M755-I799 HydrophobicContact CB-CG1 4.02Å; M755-I799 HydrophobicContact CE-CD1 4.23Å; M755-I799 HydrophobicContact CE-CG1 3.88Å; M755-I799 HydrophobicContact SD-CG1 3.93Å; M755-F821 HydrophobicContact CE-CD1 4.47Å; M755-F821 HydrophobicContact CE-CE1 3.85Å; M755-F821 HydrophobicContact CE-CZ 4.46Å |
| 756 | I | 96.6 | Very high | 94.7 | Very high | 4 Ų | 4 | 16.6 Ų | 16.6 | 2% | 0.021 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65.6 | -39.4 | 172.2 | -64.7 | -67.3 | 0 | 0 | 0 | 110.9 | G752 C753 A759 T760 P785 I787 I799 F803 | G752-I756 PolarHBondContact O-N 2.91Å; G752-I756 VanDerWaalsContact O-N 3.13Å; C753-I756 WeakPolarHBondContact O-CB 3.32Å; C753-I756 PolarHBondContact O-N 3.31Å; I756-A759 PolarHBondContact O-N 2.98Å; I756-T760 HydrophobicContact CG2-CG2 4.09Å; I756-T760 WeakPolarHBondContact O-CB 3.45Å; I756-T760 WeakPolarHBondContact O-CG2 3.25Å; I756-T760 PolarHBondContact O-N 2.96Å; I756-T760 PolarHBondContact O-OG1 3.27Å; I756-P785 HydrophobicContact CB-CB 4.43Å; I756-P785 HydrophobicContact CG1-CB 4.22Å; I756-P785 HydrophobicContact CG2-CB 3.94Å; I756-I787 HydrophobicContact CD1-CB 4.32Å; I756-I787 HydrophobicContact CD1-CG1 4.14Å; I756-I787 HydrophobicContact CD1-CG2 4.34Å; I756-I799 HydrophobicContact CD1-CD1 4.4Å; I756-I799 HydrophobicContact CD1-CG2 4Å; I756-I799 HydrophobicContact CG1-CG2 4.27Å; I756-F803 HydrophobicContact CG1-CE2 4.04Å; I756-F803 HydrophobicContact CG1-CZ 4.1Å |
| 757 | E | 96.9 | Very high | 94.1 | Very high | 7 Ų | 7 | 21.2 Ų | 21.2 | 3% | 0.033 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.6 | -47 | 174.4 | -174.7 | -178.7 | -154.8 | 0 | 0 | 111.4 | S647 L650 G690 Y729 C753 T754 M755 A759 T760 G761 K762 | S647-E757 VanDerWaalsContact CB-OE1 3.29Å; S647-E757 WeakPolarHBondContact CB-OE1 3.43Å; S647-E757 VanDerWaalsContact OG-CD 3.29Å; S647-E757 PolarHBondContact OG-OE1 2.99Å; S647-E757 PolarHBondContact OG-OE2 3.14Å; L650-E757 HydrophobicContact CD1-CG 3.96Å; G690-E757 WeakPolarHBondContact CA-OE2 3.36Å; G690-E757 PolarHBondContact N-OE2 2.81Å; Y729-E757 PolarHBondContact OH-OE1 2.87Å; Y729-E757 PolarHBondContact OH-OE2 3.29Å; Y729-E757 VanDerWaalsContact OH-OE2 3.12Å; C753-E757 PolarHBondContact O-N 3.36Å; T754-E757 PolarHBondContact O-N 3.24Å; M755-E757 VanDerWaalsContact C-N 3.34Å; E757-A759 PolarHBondContact O-N 3.38Å; E757-T760 PolarHBondContact O-N 3.45Å; E757-G761 VanDerWaalsContact O-CA 3.3Å; E757-G761 WeakPolarHBondContact O-CA 3.25Å; E757-G761 PolarHBondContact O-N 3.44Å; E757-K762 VanDerWaalsContact CA-O 3.31Å; E757-K762 WeakPolarHBondContact CA-O 3.43Å |
| 758 | M | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.9 | -47.5 | 173.6 | -74.6 | -172.1 | -76.3 | 0 | 0 | 112.6 | L646 L650 L657 I664 A668 I671 T754 M755 | L646-M758 HydrophobicContact CD1-CG 4.12Å; L646-M758 HydrophobicContact CD1-SD 4.29Å; L646-M758 HydrophobicContact CD2-CG 3.83Å; L646-M758 HydrophobicContact CD2-SD 3.97Å; L646-M758 HydrophobicContact CG-CG 4.28Å; L650-M758 HydrophobicContact CD1-CG 4.27Å; L657-M758 VanDerWaalsContact CB-O 3.27Å; L657-M758 WeakPolarHBondContact CB-O 3.49Å; L657-M758 HydrophobicContact CD1-CB 4.39Å; L657-M758 PolarHBondContact N-O 3.21Å; I664-M758 HydrophobicContact CG1-CB 4.28Å; I664-M758 HydrophobicContact CG2-CE 4.24Å; A668-M758 HydrophobicContact CB-CE 4.11Å; I671-M758 HydrophobicContact CD1-CE 4.33Å; T754-M758 PolarHBondContact O-N 2.98Å; M755-M758 HydrophobicContact CG-CE 4.1Å; M755-M758 PolarHBondContact O-N 2.98Å |
| 759 | A | 96 | Very high | 92 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.008 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.5 | -45.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | P656 L657 I658 I664 M755 I756 E757 P788 L791 | P656-A759 VanDerWaalsContact CB-O 3.29Å; P656-A759 WeakPolarHBondContact CB-O 3.4Å; L657-A759 PolarHBondContact N-O 3.4Å; I658-A759 WeakPolarHBondContact CB-O 3.34Å; I658-A759 PolarHBondContact N-O 3.45Å; I658-A759 VanDerWaalsContact N-O 3.08Å; I664-A759 HydrophobicContact CD1-CB 4.07Å; M755-A759 PolarHBondContact O-N 3.09Å; I756-A759 PolarHBondContact O-N 2.98Å; E757-A759 PolarHBondContact O-N 3.38Å; A759-P788 HydrophobicContact CB-CG 4.31Å; A759-L791 HydrophobicContact CB-CD1 4.1Å; A759-L791 HydrophobicContact CB-CD2 4.35Å |
| 760 | T | 94.5 | Very high | 91 | Very high | 43 Ų | 43 | 32.5 Ų | 32.5 | 26% | 0.264 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -90.7 | -15.5 | -172.9 | 62.4 | 0 | 0 | 0 | 0 | 114.6 | P656 I756 E757 K762 P788 | P656-T760 WeakPolarHBondContact CG-O 3.44Å; I756-T760 HydrophobicContact CG2-CG2 4.09Å; I756-T760 WeakPolarHBondContact O-CB 3.45Å; I756-T760 WeakPolarHBondContact O-CG2 3.25Å; I756-T760 PolarHBondContact O-N 2.96Å; I756-T760 PolarHBondContact O-OG1 3.27Å; E757-T760 PolarHBondContact O-N 3.45Å; T760-K762 PolarHBondContact O-N 2.84Å; T760-K762 PolarHBondContact OG1-N 3.47Å; T760-K762 PolarHBondContact OG1-O 3.16Å; T760-K762 VanDerWaalsContact OG1-O 3.1Å; T760-P788 HydrophobicContact CG2-CG 3.74Å |
| 761 | G | 93.7 | Very high | 90.1 | Very high | 16 Ų | 16 | 34.2 Ų | 34.2 | 17% | 0.165 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 67 | 15.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E757 | E757-G761 VanDerWaalsContact O-CA 3.3Å; E757-G761 WeakPolarHBondContact O-CA 3.25Å; E757-G761 PolarHBondContact O-N 3.44Å |
| 762 | K | 92.6 | Very high | 89.1 | Confident | 100 Ų | 100 | 39.4 Ų | 39.4 | 44% | 0.435 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -141.2 | 155.1 | -174 | -66.3 | -173.5 | -179.7 | -175.8 | 0 | 111.3 | E757 T760 F766 | E757-K762 VanDerWaalsContact CA-O 3.31Å; E757-K762 WeakPolarHBondContact CA-O 3.43Å; T760-K762 PolarHBondContact O-N 2.84Å; T760-K762 PolarHBondContact OG1-N 3.47Å; T760-K762 PolarHBondContact OG1-O 3.16Å; T760-K762 VanDerWaalsContact OG1-O 3.1Å; K762-F766 HydrophobicContact CB-CB 4.33Å; K762-F766 HydrophobicContact CB-CG 4.41Å; K762-F766 HydrophobicContact CD-CD1 3.77Å; K762-F766 HydrophobicContact CD-CD2 4.27Å; K762-F766 HydrophobicContact CD-CE1 4.01Å; K762-F766 HydrophobicContact CD-CE2 4.47Å; K762-F766 HydrophobicContact CD-CG 3.92Å; K762-F766 HydrophobicContact CD-CZ 4.36Å |
| 763 | P | 90.6 | Very high | 88.3 | Confident | 52 Ų | 52 | 41.3 Ų | 41.3 | 34% | 0.338 | 23% | 0.231 | S | C | . | . | trans | -54.7 | 148.4 | 173.7 | -26.3 | 35.4 | 0 | 0 | 0 | 112.9 | F766 | P763-F766 VanDerWaalsContact O-CB 3.32Å; P763-F766 WeakPolarHBondContact O-CB 3.35Å; P763-F766 PolarHBondContact O-N 2.94Å | ||
| 764 | P | 90.5 | Very high | 87.4 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 143.6 | 174.6 | 26.1 | -35.1 | 0 | 0 | 0 | 110.9 | Q728 Y729 C753 F766 P785 | Q728-P764 HydrophobicContact CB-CG 3.9Å; Q728-P764 PolarHBondContact NE2-O 3.34Å; Q728-P764 WeakPolarHBondContact O-CG 3.49Å; Y729-P764 HydrophobicContact CD1-CG 4.11Å; Y729-P764 HydrophobicContact CD2-CG 4.06Å; Y729-P764 HydrophobicContact CE1-CG 3.78Å; Y729-P764 HydrophobicContact CE2-CG 3.76Å; Y729-P764 HydrophobicContact CG-CG 4.23Å; Y729-P764 WeakPolarHBondContact OH-CD 3.44Å; C753-P764 HydrophobicContact CB-CB 4.13Å; C753-P764 HydrophobicContact CB-CG 3.96Å; P764-F766 PolarHBondContact O-N 3.48Å; P764-P785 HydrophobicContact CB-CB 4.16Å; P764-P785 HydrophobicContact CB-CG 3.61Å |
| 765 | F | 88.3 | Confident | 86.6 | Confident | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 24.7 | -177.2 | -54.8 | -71.1 | 0 | 0 | 0 | 115.4 | E767 F768 V778 H784 P785 | F765-E767 VanDerWaalsContact C-OE2 3.29Å; F765-E767 WeakPolarHBondContact CA-OE2 3.18Å; F765-E767 PolarHBondContact O-N 2.92Å; F765-E767 VanDerWaalsContact O-N 3.07Å; F765-F768 HydrophobicContact CB-CD2 3.81Å; F765-F768 HydrophobicContact CB-CE2 4.09Å; F765-F768 AromaticContact CD1-CD2 3.91Å; F765-F768 HydrophobicContact CD1-CD2 3.91Å; F765-F768 AromaticContact CD1-CE2 3.29Å; F765-F768 HydrophobicContact CD1-CE2 3.29Å; F765-F768 AromaticContact CD1-CZ 3.98Å; F765-F768 HydrophobicContact CD1-CZ 3.98Å; F765-F768 AromaticContact CE1-CE2 3.89Å; F765-F768 HydrophobicContact CE1-CE2 3.89Å; F765-F768 HydrophobicContact CG-CD2 4.17Å; F765-F768 HydrophobicContact CG-CE2 4Å; F765-F768 PolarHBondContact O-N 3.49Å; F765-V778 HydrophobicContact CE2-CG2 3.55Å; F765-V778 HydrophobicContact CZ-CG2 3.54Å; F765-H784 VanDerWaalsContact CE1-C 3.41Å; F765-H784 WeakPolarHBondContact CE1-O 3.2Å; F765-H784 VanDerWaalsContact CZ-C 3.4Å; F765-P785 HydrophobicContact CD1-CB 4.28Å; F765-P785 HydrophobicContact CD1-CG 4.34Å; F765-P785 HydrophobicContact CD2-CG 3.88Å; F765-P785 VanDerWaalsContact CE1-CA 3.47Å; F765-P785 HydrophobicContact CE1-CB 4.24Å; F765-P785 HydrophobicContact CE1-CG 4.09Å; F765-P785 VanDerWaalsContact CE1-N 3.34Å; F765-P785 HydrophobicContact CE2-CG 3.6Å; F765-P785 HydrophobicContact CG-CB 4.5Å; F765-P785 HydrophobicContact CG-CG 4.28Å; F765-P785 HydrophobicContact CZ-CB 4.38Å; F765-P785 VanDerWaalsContact CZ-CD 3.44Å; F765-P785 HydrophobicContact CZ-CG 3.74Å; F765-P785 VanDerWaalsContact CZ-N 3.27Å |
| 766 | F | 84.4 | Confident | 85.6 | Confident | 111 Ų | 111 | 50 Ų | 50 | 49% | 0.487 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -49.3 | -33.7 | 175.4 | 169.6 | -91 | 0 | 0 | 0 | 113 | K762 P763 P764 F768 G769 | K762-F766 HydrophobicContact CB-CB 4.33Å; K762-F766 HydrophobicContact CB-CG 4.41Å; K762-F766 HydrophobicContact CD-CD1 3.77Å; K762-F766 HydrophobicContact CD-CD2 4.27Å; K762-F766 HydrophobicContact CD-CE1 4.01Å; K762-F766 HydrophobicContact CD-CE2 4.47Å; K762-F766 HydrophobicContact CD-CG 3.92Å; K762-F766 HydrophobicContact CD-CZ 4.36Å; P763-F766 VanDerWaalsContact O-CB 3.32Å; P763-F766 WeakPolarHBondContact O-CB 3.35Å; P763-F766 PolarHBondContact O-N 2.94Å; P764-F766 PolarHBondContact O-N 3.48Å; F766-F768 PolarHBondContact O-N 3.09Å; F766-G769 PolarHBondContact O-N 2.93Å; F766-G769 VanDerWaalsContact O-N 3.12Å |
| 767 | E | 81.3 | Confident | 84.8 | Confident | 100 Ų | 100 | 53.4 Ų | 53.4 | 47% | 0.467 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -64.5 | -14.6 | 178.5 | 70 | -76.7 | 179 | 0 | 0 | 115 | F765 P786 | F765-E767 VanDerWaalsContact C-OE2 3.29Å; F765-E767 WeakPolarHBondContact CA-OE2 3.18Å; F765-E767 PolarHBondContact O-N 2.92Å; F765-E767 VanDerWaalsContact O-N 3.07Å; E767-P786 WeakPolarHBondContact OE1-CD 3.3Å; E767-P786 WeakPolarHBondContact OE1-CG 3.38Å |
| 768 | F | 74.9 | Confident | 84.2 | Confident | 62 Ų | 62 | 53.1 Ų | 53.1 | 27% | 0.272 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -91.1 | -5.8 | 174.5 | -55.9 | -22.5 | 0 | 0 | 0 | 113.5 | F765 F766 L770 A773 K777 | F765-F768 HydrophobicContact CB-CD2 3.81Å; F765-F768 HydrophobicContact CB-CE2 4.09Å; F765-F768 AromaticContact CD1-CD2 3.91Å; F765-F768 HydrophobicContact CD1-CD2 3.91Å; F765-F768 AromaticContact CD1-CE2 3.29Å; F765-F768 HydrophobicContact CD1-CE2 3.29Å; F765-F768 AromaticContact CD1-CZ 3.98Å; F765-F768 HydrophobicContact CD1-CZ 3.98Å; F765-F768 AromaticContact CE1-CE2 3.89Å; F765-F768 HydrophobicContact CE1-CE2 3.89Å; F765-F768 HydrophobicContact CG-CD2 4.17Å; F765-F768 HydrophobicContact CG-CE2 4Å; F765-F768 PolarHBondContact O-N 3.49Å; F766-F768 PolarHBondContact O-N 3.09Å; F768-L770 PolarHBondContact O-N 3.27Å; F768-A773 HydrophobicContact CB-CB 4.26Å; F768-K777 HydrophobicContact CD2-CD 3.85Å; F768-K777 HydrophobicContact CE1-CD 4.34Å; F768-K777 HydrophobicContact CE2-CD 3.35Å; F768-K777 HydrophobicContact CZ-CD 3.67Å |
| 769 | G | 74.4 | Confident | 83.2 | Confident | 62 Ų | 62 | 53.6 Ų | 53.6 | 64% | 0.639 | 29% | 0.289 | S | S | * | . | S | Bend | trans | 73.6 | -53 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | F766 | F766-G769 PolarHBondContact O-N 2.93Å; F766-G769 VanDerWaalsContact O-N 3.12Å |
| 770 | L | 76.1 | Confident | 82.3 | Confident | 114 Ų | 114 | 59.1 Ų | 59.1 | 60% | 0.597 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -99.6 | 128.7 | 179.9 | -67.6 | 176.2 | 0 | 0 | 0 | 111.6 | F768 E772 A773 | F768-L770 PolarHBondContact O-N 3.27Å; L770-E772 PolarHBondContact O-N 3.39Å; L770-A773 HydrophobicContact CB-CB 4.33Å; L770-A773 WeakPolarHBondContact O-CB 3.41Å; L770-A773 PolarHBondContact O-N 2.9Å; L770-A773 VanDerWaalsContact O-N 3.1Å |
| 771 | P | 76.8 | Confident | 81.7 | Confident | 41 Ų | 41 | 63.5 Ų | 63.5 | 27% | 0.266 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -54.2 | -32.2 | 175 | -29.5 | 37.9 | 0 | 0 | 0 | 114.7 | P727 Q728 A773 S774 M775 | P727-P771 HydrophobicContact CB-CB 4.25Å; Q728-P771 HydrophobicContact CG-CB 3.88Å; Q728-P771 HydrophobicContact CG-CG 4.46Å; P771-A773 VanDerWaalsContact C-N 3.32Å; P771-A773 PolarHBondContact O-N 3.16Å; P771-S774 PolarHBondContact O-N 2.79Å; P771-S774 PolarHBondContact O-OG 2.84Å; P771-M775 PolarHBondContact O-N 3.44Å |
| 772 | E | 77.8 | Confident | 81.3 | Confident | 109 Ų | 109 | 65.6 Ų | 65.6 | 51% | 0.509 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -71.1 | -31.1 | -178.8 | -59 | 70.2 | -152.1 | 0 | 0 | 111.2 | L770 S774 M775 F776 | L770-E772 PolarHBondContact O-N 3.39Å; E772-S774 VanDerWaalsContact C-N 3.32Å; E772-S774 PolarHBondContact O-N 2.83Å; E772-M775 PolarHBondContact O-N 2.79Å; E772-F776 PolarHBondContact O-N 2.83Å |
| 773 | A | 79.3 | Confident | 81.2 | Confident | 39 Ų | 39 | 63.6 Ų | 63.6 | 32% | 0.322 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.9 | -29.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F768 L770 P771 K777 | F768-A773 HydrophobicContact CB-CB 4.26Å; L770-A773 HydrophobicContact CB-CB 4.33Å; L770-A773 WeakPolarHBondContact O-CB 3.41Å; L770-A773 PolarHBondContact O-N 2.9Å; L770-A773 VanDerWaalsContact O-N 3.1Å; P771-A773 VanDerWaalsContact C-N 3.32Å; P771-A773 PolarHBondContact O-N 3.16Å; A773-K777 PolarHBondContact O-N 2.98Å |
| 774 | S | 79.7 | Confident | 81.3 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.007 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -70.8 | -43.6 | 171 | 58.9 | 0 | 0 | 0 | 0 | 111.8 | Q728 P771 E772 F776 K777 V778 | Q728-S774 WeakPolarHBondContact CA-OG 3.31Å; Q728-S774 WeakPolarHBondContact CG-OG 3.28Å; P771-S774 PolarHBondContact O-N 2.79Å; P771-S774 PolarHBondContact O-OG 2.84Å; E772-S774 VanDerWaalsContact C-N 3.32Å; E772-S774 PolarHBondContact O-N 2.83Å; S774-F776 VanDerWaalsContact C-N 3.32Å; S774-F776 PolarHBondContact O-N 2.74Å; S774-K777 PolarHBondContact O-N 3.33Å; S774-K777 VanDerWaalsContact O-N 3.13Å; S774-V778 VanDerWaalsContact O-CG2 3.28Å; S774-V778 WeakPolarHBondContact O-CG2 3.42Å; S774-V778 PolarHBondContact O-N 3.41Å |
| 775 | M | 79.3 | Confident | 81.3 | Confident | 56 Ų | 56 | 64 Ų | 64 | 28% | 0.276 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58 | -44.7 | 177.5 | -172.6 | -178.7 | 69.8 | 0 | 0 | 111.4 | M723 P727 M730 I735 P771 E772 K777 V778 G779 | M723-M775 HydrophobicContact CE-SD 3.75Å; P727-M775 HydrophobicContact CB-CB 4.19Å; P727-M775 HydrophobicContact CB-SD 4.41Å; M730-M775 HydrophobicContact SD-SD 4.12Å; I735-M775 HydrophobicContact CD1-CG 3.78Å; I735-M775 HydrophobicContact CG1-CG 3.87Å; I735-M775 HydrophobicContact CG2-CG 4.05Å; P771-M775 PolarHBondContact O-N 3.44Å; E772-M775 PolarHBondContact O-N 2.79Å; M775-K777 PolarHBondContact O-N 3.35Å; M775-V778 PolarHBondContact O-N 3.39Å; M775-G779 PolarHBondContact O-N 2.96Å |
| 776 | F | 78 | Confident | 81.5 | Confident | 128 Ų | 128 | 67.3 Ų | 67.3 | 56% | 0.561 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -58.8 | -45.4 | 175.1 | -178.4 | -97.3 | 0 | 0 | 0 | 112.5 | E772 S774 M780 | E772-F776 PolarHBondContact O-N 2.83Å; S774-F776 VanDerWaalsContact C-N 3.32Å; S774-F776 PolarHBondContact O-N 2.74Å; F776-M780 HydrophobicContact CD1-CG 4.27Å; F776-M780 HydrophobicContact CD2-CG 4.11Å; F776-M780 HydrophobicContact CE1-CG 3.93Å; F776-M780 HydrophobicContact CE1-SD 4.44Å; F776-M780 HydrophobicContact CE2-CG 3.76Å; F776-M780 HydrophobicContact CE2-SD 3.91Å; F776-M780 HydrophobicContact CG-CG 4.36Å; F776-M780 HydrophobicContact CZ-CG 3.66Å; F776-M780 HydrophobicContact CZ-SD 3.71Å; F776-M780 VanDerWaalsContact O-CB 3.31Å; F776-M780 WeakPolarHBondContact O-CB 3.49Å; F776-M780 VanDerWaalsContact O-CG 3.24Å; F776-M780 WeakPolarHBondContact O-CG 3.37Å; F776-M780 PolarHBondContact O-N 2.86Å |
| 777 | K | 78.9 | Confident | 82 | Confident | 74 Ų | 74 | 63.5 Ų | 63.5 | 32% | 0.322 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.5 | -44.1 | 179.2 | -83.5 | -178.6 | 174.1 | -178.7 | 0 | 113.2 | F768 A773 S774 M775 G779 F781 V783 | F768-K777 HydrophobicContact CD2-CD 3.85Å; F768-K777 HydrophobicContact CE1-CD 4.34Å; F768-K777 HydrophobicContact CE2-CD 3.35Å; F768-K777 HydrophobicContact CZ-CD 3.67Å; A773-K777 PolarHBondContact O-N 2.98Å; S774-K777 PolarHBondContact O-N 3.33Å; S774-K777 VanDerWaalsContact O-N 3.13Å; M775-K777 PolarHBondContact O-N 3.35Å; K777-G779 VanDerWaalsContact C-N 3.35Å; K777-F781 HydrophobicContact CB-CD2 4.45Å; K777-F781 HydrophobicContact CG-CD2 4.28Å; K777-F781 WeakPolarHBondContact O-CB 3.43Å; K777-F781 PolarHBondContact O-N 2.99Å; K777-V783 HydrophobicContact CB-CG2 3.85Å |
| 778 | V | 83.5 | Confident | 82.6 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 176.9 | 177.6 | 0 | 0 | 0 | 0 | 109.9 | P732 I735 W749 F765 S774 M775 K782 V783 | P732-V778 HydrophobicContact CB-CG1 4.09Å; I735-V778 HydrophobicContact CD1-CB 3.8Å; I735-V778 HydrophobicContact CD1-CG1 3.73Å; W749-V778 HydrophobicContact CH2-CG1 4.38Å; W749-V778 HydrophobicContact CZ2-CG1 3.72Å; W749-V778 HydrophobicContact CZ2-CG2 4.46Å; F765-V778 HydrophobicContact CE2-CG2 3.55Å; F765-V778 HydrophobicContact CZ-CG2 3.54Å; S774-V778 VanDerWaalsContact O-CG2 3.28Å; S774-V778 WeakPolarHBondContact O-CG2 3.42Å; S774-V778 PolarHBondContact O-N 3.41Å; M775-V778 PolarHBondContact O-N 3.39Å; V778-K782 VanDerWaalsContact O-CA 3.24Å; V778-K782 WeakPolarHBondContact O-CA 3.33Å; V778-K782 PolarHBondContact O-N 2.9Å; V778-V783 WeakPolarHBondContact CG2-O 3.31Å |
| 779 | G | 77.1 | Confident | 83.4 | Confident | 11 Ų | 11 | 65.4 Ų | 65.4 | 11% | 0.113 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.1 | -55.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | M775 K777 K782 | M775-G779 PolarHBondContact O-N 2.96Å; K777-G779 VanDerWaalsContact C-N 3.35Å; G779-K782 PolarHBondContact O-NZ 2.84Å |
| 780 | M | 76.8 | Confident | 84.2 | Confident | 116 Ų | 116 | 69.1 Ų | 69.1 | 57% | 0.571 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -72.1 | -36.7 | -173.9 | -68.9 | -100.6 | 72.9 | 0 | 0 | 114.5 | F776 | F776-M780 HydrophobicContact CD1-CG 4.27Å; F776-M780 HydrophobicContact CD2-CG 4.11Å; F776-M780 HydrophobicContact CE1-CG 3.93Å; F776-M780 HydrophobicContact CE1-SD 4.44Å; F776-M780 HydrophobicContact CE2-CG 3.76Å; F776-M780 HydrophobicContact CE2-SD 3.91Å; F776-M780 HydrophobicContact CG-CG 4.36Å; F776-M780 HydrophobicContact CZ-CG 3.66Å; F776-M780 HydrophobicContact CZ-SD 3.71Å; F776-M780 VanDerWaalsContact O-CB 3.31Å; F776-M780 WeakPolarHBondContact O-CB 3.49Å; F776-M780 VanDerWaalsContact O-CG 3.24Å; F776-M780 WeakPolarHBondContact O-CG 3.37Å; F776-M780 PolarHBondContact O-N 2.86Å |
| 781 | F | 82.8 | Confident | 85 | Confident | 136 Ų | 136 | 63.8 Ų | 63.8 | 60% | 0.596 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -122.1 | -1.1 | -167.9 | -54.1 | -66.8 | 0 | 0 | 0 | 114.4 | K777 V783 | K777-F781 HydrophobicContact CB-CD2 4.45Å; K777-F781 HydrophobicContact CG-CD2 4.28Å; K777-F781 WeakPolarHBondContact O-CB 3.43Å; K777-F781 PolarHBondContact O-N 2.99Å; F781-V783 HydrophobicContact CB-CG1 3.84Å; F781-V783 HydrophobicContact CB-CG2 4.39Å; F781-V783 PolarHBondContact O-N 3.19Å; F781-V783 VanDerWaalsContact O-N 3.08Å |
| 782 | K | 85.4 | Confident | 85.8 | Confident | 59 Ų | 59 | 63.4 Ų | 63.4 | 26% | 0.257 | 32% | 0.317 | S | S | . | . | trans | 54.8 | 24.4 | -176.1 | -47.8 | -57.5 | 172.1 | -157.9 | 0 | 114.2 | P732 E736 V778 G779 P805 | P732-K782 HydrophobicContact CB-CD 3.51Å; P732-K782 HydrophobicContact CG-CD 4.3Å; E736-K782 IonicContact OE1-NZ 2.68Å; E736-K782 PolarHBondContact OE1-NZ 2.88Å; E736-K782 IonicContact OE2-NZ 2.77Å; E736-K782 PolarHBondContact OE2-NZ 2.92Å; V778-K782 VanDerWaalsContact O-CA 3.24Å; V778-K782 WeakPolarHBondContact O-CA 3.33Å; V778-K782 PolarHBondContact O-N 2.9Å; G779-K782 PolarHBondContact O-NZ 2.84Å; K782-P805 HydrophobicContact CB-CB 4.07Å; K782-P805 HydrophobicContact CB-CG 4.11Å; K782-P805 HydrophobicContact CG-CB 4.39Å | ||
| 783 | V | 89 | Confident | 86.5 | Confident | 58 Ų | 58 | 64.5 Ų | 64.5 | 35% | 0.352 | 33% | 0.326 | S | S | . | . | trans | -76.4 | 147.9 | -179.3 | -66.6 | 0 | 0 | 0 | 0 | 111.5 | K777 V778 F781 | K777-V783 HydrophobicContact CB-CG2 3.85Å; V778-V783 WeakPolarHBondContact CG2-O 3.31Å; F781-V783 HydrophobicContact CB-CG1 3.84Å; F781-V783 HydrophobicContact CB-CG2 4.39Å; F781-V783 PolarHBondContact O-N 3.19Å; F781-V783 VanDerWaalsContact O-N 3.08Å | ||
| 784 | H | 92.5 | Very high | 87.1 | Confident | 62 Ų | 62 | 64 Ų | 64 | 29% | 0.287 | 32% | 0.322 | S | S | . | . | trans | -106.4 | 166.6 | 173.1 | 62.1 | 70.3 | 0 | 0 | 0 | 111.1 | W749 F765 F803 | W749-H784 HydrophobicContact CH2-CB 4.16Å; W749-H784 HydrophobicContact CZ2-CB 4.36Å; F765-H784 VanDerWaalsContact CE1-C 3.41Å; F765-H784 WeakPolarHBondContact CE1-O 3.2Å; F765-H784 VanDerWaalsContact CZ-C 3.4Å; H784-F803 HydrophobicContact CB-CB 3.67Å; H784-F803 HydrophobicContact CB-CD1 3.78Å; H784-F803 HydrophobicContact CB-CD2 3.46Å; H784-F803 VanDerWaalsContact CB-CD2 3.46Å; H784-F803 HydrophobicContact CB-CE1 4.24Å; H784-F803 HydrophobicContact CB-CE2 3.93Å; H784-F803 HydrophobicContact CB-CG 3.38Å; H784-F803 HydrophobicContact CB-CZ 4.31Å; H784-F803 AromaticContact CG-CD2 3.59Å; H784-F803 AromaticContact CG-CG 3.87Å; H784-F803 AromaticContact ND1-CD2 3.92Å | ||
| 785 | P | 91.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 147.2 | 173.9 | -22.5 | 32.1 | 0 | 0 | 0 | 112 | I756 P764 F765 I787 F803 | I756-P785 HydrophobicContact CB-CB 4.43Å; I756-P785 HydrophobicContact CG1-CB 4.22Å; I756-P785 HydrophobicContact CG2-CB 3.94Å; P764-P785 HydrophobicContact CB-CB 4.16Å; P764-P785 HydrophobicContact CB-CG 3.61Å; F765-P785 HydrophobicContact CD1-CB 4.28Å; F765-P785 HydrophobicContact CD1-CG 4.34Å; F765-P785 HydrophobicContact CD2-CG 3.88Å; F765-P785 VanDerWaalsContact CE1-CA 3.47Å; F765-P785 HydrophobicContact CE1-CB 4.24Å; F765-P785 HydrophobicContact CE1-CG 4.09Å; F765-P785 VanDerWaalsContact CE1-N 3.34Å; F765-P785 HydrophobicContact CE2-CG 3.6Å; F765-P785 HydrophobicContact CG-CB 4.5Å; F765-P785 HydrophobicContact CG-CG 4.28Å; F765-P785 HydrophobicContact CZ-CB 4.38Å; F765-P785 VanDerWaalsContact CZ-CD 3.44Å; F765-P785 HydrophobicContact CZ-CG 3.74Å; F765-P785 VanDerWaalsContact CZ-N 3.27Å; P785-I787 PolarHBondContact O-N 2.84Å; P785-F803 HydrophobicContact CG-CZ 4.13Å |
| 786 | P | 91.7 | Very high | 88.5 | Confident | 74 Ų | 74 | 63.9 Ų | 63.9 | 48% | 0.481 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 120.6 | -179.4 | 24.7 | -33.5 | 0 | 0 | 0 | 111 | E767 P788 | E767-P786 WeakPolarHBondContact OE1-CD 3.3Å; E767-P786 WeakPolarHBondContact OE1-CG 3.38Å; P786-P788 WeakPolarHBondContact O-CD 3.39Å |
| 787 | I | 95.1 | Very high | 89.3 | Confident | 31 Ų | 31 | 60.2 Ų | 60.2 | 16% | 0.159 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -79.2 | 120.4 | -179.6 | -51.8 | 178.2 | 0 | 0 | 0 | 108.6 | I756 P785 E789 L791 K796 I799 L800 | I756-I787 HydrophobicContact CD1-CB 4.32Å; I756-I787 HydrophobicContact CD1-CG1 4.14Å; I756-I787 HydrophobicContact CD1-CG2 4.34Å; P785-I787 PolarHBondContact O-N 2.84Å; I787-E789 PolarHBondContact O-N 2.89Å; I787-L791 HydrophobicContact CG2-CD1 4.15Å; I787-K796 HydrophobicContact CG2-CG 3.92Å; I787-I799 HydrophobicContact CD1-CB 4.34Å; I787-I799 HydrophobicContact CD1-CG2 3.74Å; I787-I799 HydrophobicContact CG1-CG2 3.95Å; I787-I799 HydrophobicContact CG2-CD1 4.35Å; I787-I799 HydrophobicContact CG2-CG2 4.4Å; I787-L800 HydrophobicContact CD1-CD2 3.51Å; I787-L800 HydrophobicContact CD1-CG 3.56Å |
| 788 | P | 93.4 | Very high | 90.1 | Very high | 22 Ų | 22 | 56.7 Ų | 56.7 | 14% | 0.143 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 130.5 | -174.1 | -25.8 | 34.5 | 0 | 0 | 0 | 114 | I658 A759 T760 P786 K790 L791 | I658-P788 HydrophobicContact CD1-CB 3.3Å; I658-P788 HydrophobicContact CD1-CG 4.17Å; I658-P788 HydrophobicContact CG1-CB 4.2Å; A759-P788 HydrophobicContact CB-CG 4.31Å; T760-P788 HydrophobicContact CG2-CG 3.74Å; P786-P788 WeakPolarHBondContact O-CD 3.39Å; P788-K790 VanDerWaalsContact C-N 3.26Å; P788-K790 PolarHBondContact O-N 2.83Å; P788-L791 HydrophobicContact CB-CD1 4.42Å; P788-L791 HydrophobicContact CB-CG 4.36Å; P788-L791 HydrophobicContact CG-CD1 4.39Å; P788-L791 WeakPolarHBondContact O-CB 3.42Å; P788-L791 PolarHBondContact O-N 2.94Å; P788-L791 VanDerWaalsContact O-N 3.12Å |
| 789 | E | 91.1 | Very high | 90.7 | Very high | 179 Ų | 179 | 56.7 Ų | 56.7 | 84% | 0.836 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -24.1 | -173.2 | -68 | -170.6 | 168.7 | 0 | 0 | 114.7 | I787 L791 K796 | I787-E789 PolarHBondContact O-N 2.89Å; E789-L791 VanDerWaalsContact C-N 3.27Å; E789-L791 PolarHBondContact O-N 2.85Å; E789-K796 WeakPolarHBondContact O-CE 3.25Å; E789-K796 PolarHBondContact O-NZ 3.18Å |
| 790 | K | 93.2 | Very high | 91.6 | Very high | 140 Ų | 140 | 60.4 Ų | 60.4 | 61% | 0.609 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -22.6 | 176.4 | -65.9 | -175.4 | 169.1 | -171 | 0 | 113.8 | I658 D659 P788 | I658-K790 HydrophobicContact CD1-CB 3.8Å; I658-K790 HydrophobicContact CD1-CD 3.98Å; I658-K790 HydrophobicContact CD1-CG 4.19Å; I658-K790 HydrophobicContact CG1-CB 3.94Å; I658-K790 HydrophobicContact CG1-CD 4.31Å; D659-K790 WeakPolarHBondContact OD1-CD 3.37Å; D659-K790 IonicContact OD1-NZ 3.51Å; D659-K790 PolarHBondContact OD1-NZ 2.71Å; D659-K790 IonicContact OD2-NZ 2.71Å; D659-K790 PolarHBondContact OD2-NZ 2.64Å; P788-K790 VanDerWaalsContact C-N 3.26Å; P788-K790 PolarHBondContact O-N 2.83Å |
| 791 | L | 92.7 | Very high | 92.6 | Very high | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -62.3 | 145.1 | -178.5 | -69.4 | 176.7 | 0 | 0 | 0 | 111.2 | I658 E661 I664 A759 I787 P788 E789 A795 K796 I799 | I658-L791 HydrophobicContact CG1-CD2 4.09Å; I658-L791 HydrophobicContact CG1-CG 4.28Å; E661-L791 HydrophobicContact CG-CD2 4.01Å; I664-L791 HydrophobicContact CD1-CD2 4.39Å; A759-L791 HydrophobicContact CB-CD1 4.1Å; A759-L791 HydrophobicContact CB-CD2 4.35Å; I787-L791 HydrophobicContact CG2-CD1 4.15Å; P788-L791 HydrophobicContact CB-CD1 4.42Å; P788-L791 HydrophobicContact CB-CG 4.36Å; P788-L791 HydrophobicContact CG-CD1 4.39Å; P788-L791 WeakPolarHBondContact O-CB 3.42Å; P788-L791 PolarHBondContact O-N 2.94Å; P788-L791 VanDerWaalsContact O-N 3.12Å; E789-L791 VanDerWaalsContact C-N 3.27Å; E789-L791 PolarHBondContact O-N 2.85Å; L791-A795 HydrophobicContact CB-CB 4.14Å; L791-A795 HydrophobicContact CD2-CB 4.48Å; L791-K796 HydrophobicContact CB-CG 4.06Å; L791-K796 WeakPolarHBondContact O-CD 3.4Å; L791-K796 WeakPolarHBondContact O-CE 3.16Å; L791-K796 PolarHBondContact O-NZ 3.25Å; L791-I799 HydrophobicContact CD1-CD1 3.81Å |
| 792 | S | 93 | Very high | 93.3 | Very high | 32 Ų | 32 | 53 Ų | 53 | 22% | 0.224 | 28% | 0.276 | C | S | . | . | trans | -62.3 | 156.9 | 176.6 | 78.7 | 0 | 0 | 0 | 0 | 111.7 | E661 A794 A795 K796 | E661-S792 VanDerWaalsContact OE1-CB 3.29Å; E661-S792 WeakPolarHBondContact OE1-CB 3.16Å; E661-S792 PolarHBondContact OE1-N 2.87Å; E661-S792 PolarHBondContact OE1-OG 3.33Å; E661-S792 WeakPolarHBondContact OE2-CB 3.44Å; E661-S792 PolarHBondContact OE2-OG 3.05Å; S792-A794 PolarHBondContact O-N 2.79Å; S792-A795 PolarHBondContact O-N 3.11Å; S792-A795 VanDerWaalsContact O-N 3.14Å; S792-A795 PolarHBondContact OG-N 3.31Å; S792-K796 WeakPolarHBondContact O-CG 3.41Å; S792-K796 PolarHBondContact O-N 3.1Å | ||
| 793 | N | 92.3 | Very high | 93.8 | Very high | 133 Ų | 133 | 50.5 Ų | 50.5 | 71% | 0.711 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -61.7 | -26.3 | 177.9 | -65.5 | -14 | 0 | 0 | 0 | 112.4 | S797 | N793-S797 WeakPolarHBondContact O-CB 3.45Å; N793-S797 PolarHBondContact O-N 2.84Å |
| 794 | A | 91.7 | Very high | 94.2 | Very high | 29 Ų | 29 | 51.2 Ų | 51.2 | 24% | 0.24 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.8 | -48 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S792 S797 L798 F821 | S792-A794 PolarHBondContact O-N 2.79Å; A794-S797 PolarHBondContact O-N 3.43Å; A794-L798 PolarHBondContact O-N 2.99Å; A794-F821 HydrophobicContact CB-CB 4.29Å; A794-F821 HydrophobicContact CB-CD2 4.21Å |
| 795 | A | 93.5 | Very high | 94.1 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 2% | 0.017 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.1 | -49.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L791 S792 S797 L798 I799 F821 | L791-A795 HydrophobicContact CB-CB 4.14Å; L791-A795 HydrophobicContact CD2-CB 4.48Å; S792-A795 PolarHBondContact O-N 3.11Å; S792-A795 VanDerWaalsContact O-N 3.14Å; S792-A795 PolarHBondContact OG-N 3.31Å; A795-S797 PolarHBondContact O-N 3.37Å; A795-L798 PolarHBondContact O-N 3.19Å; A795-I799 VanDerWaalsContact O-CG1 3.29Å; A795-I799 WeakPolarHBondContact O-CG1 3.37Å; A795-I799 PolarHBondContact O-N 2.91Å; A795-F821 HydrophobicContact CB-CD2 3.92Å; A795-F821 HydrophobicContact CB-CE2 3.56Å; A795-F821 HydrophobicContact CB-CZ 4.13Å |
| 796 | K | 95.7 | Very high | 94 | Very high | 51 Ų | 51 | 54 Ų | 54 | 22% | 0.222 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.7 | -44.9 | 175.9 | -72.2 | 169.7 | 173.5 | 149.5 | 0 | 112.2 | I787 E789 L791 S792 I799 L800 | I787-K796 HydrophobicContact CG2-CG 3.92Å; E789-K796 WeakPolarHBondContact O-CE 3.25Å; E789-K796 PolarHBondContact O-NZ 3.18Å; L791-K796 HydrophobicContact CB-CG 4.06Å; L791-K796 WeakPolarHBondContact O-CD 3.4Å; L791-K796 WeakPolarHBondContact O-CE 3.16Å; L791-K796 PolarHBondContact O-NZ 3.25Å; S792-K796 WeakPolarHBondContact O-CG 3.41Å; S792-K796 PolarHBondContact O-N 3.1Å; K796-I799 PolarHBondContact O-N 2.9Å; K796-L800 WeakPolarHBondContact O-CB 3.37Å; K796-L800 VanDerWaalsContact O-CG 3.31Å; K796-L800 WeakPolarHBondContact O-CG 3.34Å; K796-L800 PolarHBondContact O-N 3.34Å |
| 797 | S | 94.2 | Very high | 94 | Very high | 51 Ų | 51 | 52.8 Ų | 52.8 | 36% | 0.357 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.9 | -39 | 178.7 | -176.9 | 0 | 0 | 0 | 0 | 112.5 | N793 A794 A795 K801 | N793-S797 WeakPolarHBondContact O-CB 3.45Å; N793-S797 PolarHBondContact O-N 2.84Å; A794-S797 PolarHBondContact O-N 3.43Å; A795-S797 PolarHBondContact O-N 3.37Å; S797-K801 VanDerWaalsContact O-CG 3.28Å; S797-K801 WeakPolarHBondContact O-CG 3.4Å; S797-K801 PolarHBondContact O-N 3.09Å |
| 798 | L | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.2 | -47.5 | 173.9 | 178.4 | 65.6 | 0 | 0 | 0 | 111.5 | M755 A794 A795 K801 C802 L816 N819 F821 F822 | M755-L798 HydrophobicContact CE-CD2 3.88Å; M755-L798 HydrophobicContact SD-CD2 3.91Å; M755-L798 HydrophobicContact SD-CG 4.23Å; A794-L798 PolarHBondContact O-N 2.99Å; A795-L798 PolarHBondContact O-N 3.19Å; L798-K801 WeakPolarHBondContact O-CB 3.45Å; L798-K801 PolarHBondContact O-N 3Å; L798-C802 PolarHBondContact O-N 2.92Å; L798-C802 PolarHBondContact O-SG 3Å; L798-C802 VanDerWaalsContact O-SG 3.36Å; L798-L816 HydrophobicContact CD1-CB 4.28Å; L798-L816 HydrophobicContact CD1-CD2 3.48Å; L798-L816 VanDerWaalsContact CD1-CD2 3.48Å; L798-L816 HydrophobicContact CD1-CG 4.46Å; L798-N819 HydrophobicContact CD1-CB 3.82Å; L798-N819 WeakPolarHBondContact CD1-ND2 3.32Å; L798-F821 HydrophobicContact CB-CB 4.42Å; L798-F821 HydrophobicContact CD2-CB 4.08Å; L798-F821 HydrophobicContact CD2-CD1 3.37Å; L798-F821 HydrophobicContact CD2-CE1 4.11Å; L798-F821 HydrophobicContact CD2-CG 4.02Å; L798-F822 HydrophobicContact CD1-CE2 4.25Å; L798-F822 HydrophobicContact CD2-CE1 4.38Å; L798-F822 HydrophobicContact CD2-CE2 3.61Å; L798-F822 HydrophobicContact CD2-CZ 3.52Å |
| 799 | I | 96.7 | Very high | 93.7 | Very high | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.5 | -44.3 | -179.2 | -66.8 | 167.1 | 0 | 0 | 0 | 111.3 | M755 I756 I787 L791 A795 K796 K801 C802 F803 | M755-I799 HydrophobicContact CB-CD1 4.27Å; M755-I799 HydrophobicContact CB-CG1 4.02Å; M755-I799 HydrophobicContact CE-CD1 4.23Å; M755-I799 HydrophobicContact CE-CG1 3.88Å; M755-I799 HydrophobicContact SD-CG1 3.93Å; I756-I799 HydrophobicContact CD1-CD1 4.4Å; I756-I799 HydrophobicContact CD1-CG2 4Å; I756-I799 HydrophobicContact CG1-CG2 4.27Å; I787-I799 HydrophobicContact CD1-CB 4.34Å; I787-I799 HydrophobicContact CD1-CG2 3.74Å; I787-I799 HydrophobicContact CG1-CG2 3.95Å; I787-I799 HydrophobicContact CG2-CD1 4.35Å; I787-I799 HydrophobicContact CG2-CG2 4.4Å; L791-I799 HydrophobicContact CD1-CD1 3.81Å; A795-I799 VanDerWaalsContact O-CG1 3.29Å; A795-I799 WeakPolarHBondContact O-CG1 3.37Å; A795-I799 PolarHBondContact O-N 2.91Å; K796-I799 PolarHBondContact O-N 2.9Å; I799-K801 VanDerWaalsContact C-N 3.29Å; I799-K801 PolarHBondContact O-N 3.42Å; I799-C802 WeakPolarHBondContact O-CB 3.24Å; I799-C802 PolarHBondContact O-N 2.85Å; I799-F803 HydrophobicContact CG2-CD2 3.73Å; I799-F803 HydrophobicContact CG2-CE2 3.37Å; I799-F803 HydrophobicContact CG2-CZ 4.36Å; I799-F803 WeakPolarHBondContact O-CD2 3.38Å; I799-F803 PolarHBondContact O-N 3.28Å |
| 800 | L | 96.3 | Very high | 93.9 | Very high | 88 Ų | 88 | 52.5 Ų | 52.5 | 46% | 0.461 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.7 | -39.5 | 175.7 | -77.7 | 167.9 | 0 | 0 | 0 | 112.2 | I787 K796 C802 F803 E804 | I787-L800 HydrophobicContact CD1-CD2 3.51Å; I787-L800 HydrophobicContact CD1-CG 3.56Å; K796-L800 WeakPolarHBondContact O-CB 3.37Å; K796-L800 VanDerWaalsContact O-CG 3.31Å; K796-L800 WeakPolarHBondContact O-CG 3.34Å; K796-L800 PolarHBondContact O-N 3.34Å; L800-C802 VanDerWaalsContact C-N 3.29Å; L800-C802 PolarHBondContact O-N 3.48Å; L800-F803 CarbonylContact O-C 3.54Å; L800-F803 PolarHBondContact O-N 3.49Å; L800-E804 PolarHBondContact O-N 3.46Å |
| 801 | K | 96.6 | Very high | 94 | Very high | 98 Ų | 98 | 46.8 Ų | 46.8 | 43% | 0.426 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.6 | -34.2 | 175.1 | -77.2 | 173.3 | -176.6 | -178.4 | 0 | 112.8 | S797 L798 I799 F803 P811 L816 | S797-K801 VanDerWaalsContact O-CG 3.28Å; S797-K801 WeakPolarHBondContact O-CG 3.4Å; S797-K801 PolarHBondContact O-N 3.09Å; L798-K801 WeakPolarHBondContact O-CB 3.45Å; L798-K801 PolarHBondContact O-N 3Å; I799-K801 VanDerWaalsContact C-N 3.29Å; I799-K801 PolarHBondContact O-N 3.42Å; K801-F803 PolarHBondContact O-N 2.66Å; K801-P811 HydrophobicContact CB-CG 4.08Å; K801-P811 VanDerWaalsContact O-CD 3.24Å; K801-P811 WeakPolarHBondContact O-CD 3.47Å; K801-L816 HydrophobicContact CB-CD2 4.26Å |
| 802 | C | 97.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.5 | -23.9 | 174 | -59.5 | 0 | 0 | 0 | 0 | 112.7 | I748 L798 I799 L800 R810 | I748-C802 HydrophobicContact CG2-CB 4.24Å; L798-C802 PolarHBondContact O-N 2.92Å; L798-C802 PolarHBondContact O-SG 3Å; L798-C802 VanDerWaalsContact O-SG 3.36Å; I799-C802 WeakPolarHBondContact O-CB 3.24Å; I799-C802 PolarHBondContact O-N 2.85Å; L800-C802 VanDerWaalsContact C-N 3.29Å; L800-C802 PolarHBondContact O-N 3.48Å; C802-R810 WeakPolarHBondContact O-CD 3.46Å |
| 803 | F | 97.1 | Very high | 94.1 | Very high | 6 Ų | 6 | 48.8 Ų | 48.8 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 21 | -178.5 | -63.3 | -44.6 | 0 | 0 | 0 | 114.2 | W749 I756 H784 P785 I799 L800 K801 P805 | W749-F803 AromaticContact CD2-CD1 3.8Å; W749-F803 HydrophobicContact CD2-CD1 3.8Å; W749-F803 HydrophobicContact CD2-CE1 4.36Å; W749-F803 AromaticContact CE2-CD1 3.95Å; W749-F803 HydrophobicContact CE3-CB 4.37Å; W749-F803 AromaticContact CE3-CD1 3.88Å; W749-F803 HydrophobicContact CE3-CD1 3.88Å; W749-F803 HydrophobicContact CG-CD1 4.35Å; W749-F803 HydrophobicContact CH2-CB 4.44Å; W749-F803 HydrophobicContact CH2-CD1 4.23Å; W749-F803 HydrophobicContact CZ2-CD1 4.16Å; W749-F803 HydrophobicContact CZ3-CB 4.03Å; W749-F803 HydrophobicContact CZ3-CD1 4.1Å; W749-F803 WeakPolarHBondContact CZ3-O 3.34Å; I756-F803 HydrophobicContact CG1-CE2 4.04Å; I756-F803 HydrophobicContact CG1-CZ 4.1Å; H784-F803 HydrophobicContact CB-CB 3.67Å; H784-F803 HydrophobicContact CB-CD1 3.78Å; H784-F803 HydrophobicContact CB-CD2 3.46Å; H784-F803 VanDerWaalsContact CB-CD2 3.46Å; H784-F803 HydrophobicContact CB-CE1 4.24Å; H784-F803 HydrophobicContact CB-CE2 3.93Å; H784-F803 HydrophobicContact CB-CG 3.38Å; H784-F803 HydrophobicContact CB-CZ 4.31Å; H784-F803 AromaticContact CG-CD2 3.59Å; H784-F803 AromaticContact CG-CG 3.87Å; H784-F803 AromaticContact ND1-CD2 3.92Å; P785-F803 HydrophobicContact CG-CZ 4.13Å; I799-F803 HydrophobicContact CG2-CD2 3.73Å; I799-F803 HydrophobicContact CG2-CE2 3.37Å; I799-F803 HydrophobicContact CG2-CZ 4.36Å; I799-F803 WeakPolarHBondContact O-CD2 3.38Å; I799-F803 PolarHBondContact O-N 3.28Å; L800-F803 CarbonylContact O-C 3.54Å; L800-F803 PolarHBondContact O-N 3.49Å; K801-F803 PolarHBondContact O-N 2.66Å; F803-P805 VanDerWaalsContact O-CD 3.23Å; F803-P805 WeakPolarHBondContact O-CD 3.28Å |
| 804 | E | 96.4 | Very high | 94.1 | Very high | 73 Ų | 73 | 44.2 Ų | 44.2 | 34% | 0.341 | 25% | 0.251 | S | S | . | . | trans | -58.6 | 117.9 | 167.6 | 174.2 | 48.9 | -116.1 | 0 | 0 | 109.8 | L800 D806 Q809 R810 | L800-E804 PolarHBondContact O-N 3.46Å; E804-D806 VanDerWaalsContact C-N 3.34Å; E804-D806 PolarHBondContact O-N 3.25Å; E804-D806 PolarHBondContact OE1-N 2.85Å; E804-D806 VanDerWaalsContact OE1-N 3.13Å; E804-Q809 HydrophobicContact CG-CB 3.74Å; E804-R810 HydrophobicContact CB-CB 4.08Å; E804-R810 HydrophobicContact CB-CG 4.17Å; E804-R810 HydrophobicContact CG-CB 4.28Å; E804-R810 VanDerWaalsContact O-CZ 3.31Å; E804-R810 PolarHBondContact O-NE 3.36Å; E804-R810 PolarHBondContact O-NH2 3.2Å | ||
| 805 | P | 91.3 | Very high | 94.1 | Very high | 54 Ų | 54 | 48.6 Ų | 48.6 | 35% | 0.351 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -61.6 | -36.5 | -176.9 | -28.5 | 38.3 | 0 | 0 | 0 | 114.1 | K782 F803 P807 R810 | K782-P805 HydrophobicContact CB-CB 4.07Å; K782-P805 HydrophobicContact CB-CG 4.11Å; K782-P805 HydrophobicContact CG-CB 4.39Å; F803-P805 VanDerWaalsContact O-CD 3.23Å; F803-P805 WeakPolarHBondContact O-CD 3.28Å; P805-P807 WeakPolarHBondContact O-CD 3.37Å; P805-R810 PolarHBondContact O-NH2 3.34Å |
| 806 | D | 89.9 | Confident | 94.2 | Very high | 67 Ų | 67 | 48.6 Ų | 48.6 | 36% | 0.358 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -78.1 | 114 | 178.9 | -177.1 | -19.5 | 0 | 0 | 0 | 110.6 | E804 S808 Q809 R810 | E804-D806 VanDerWaalsContact C-N 3.34Å; E804-D806 PolarHBondContact O-N 3.25Å; E804-D806 PolarHBondContact OE1-N 2.85Å; E804-D806 VanDerWaalsContact OE1-N 3.13Å; D806-S808 PolarHBondContact O-N 3.03Å; D806-S808 VanDerWaalsContact O-N 3.13Å; D806-S808 WeakPolarHBondContact OD1-CA 3.13Å; D806-S808 VanDerWaalsContact OD1-CB 3.25Å; D806-S808 WeakPolarHBondContact OD1-CB 3.39Å; D806-S808 PolarHBondContact OD1-N 3.06Å; D806-S808 PolarHBondContact OD1-OG 2.85Å; D806-S808 PolarHBondContact OD2-OG 3.18Å; D806-Q809 HydrophobicContact CB-CB 4.18Å; D806-Q809 HydrophobicContact CB-CG 3.99Å; D806-Q809 PolarHBondContact O-N 2.97Å; D806-R810 PolarHBondContact O-N 3.03Å |
| 807 | P | 90.8 | Very high | 94 | Very high | 47 Ų | 47 | 47.8 Ų | 47.8 | 31% | 0.305 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -19.7 | -179.4 | 27.6 | -35.6 | 0 | 0 | 0 | 113.6 | E733 P745 P805 | E733-P807 HydrophobicContact CB-CG 4.16Å; E733-P807 HydrophobicContact CG-CB 4.13Å; E733-P807 HydrophobicContact CG-CG 4.11Å; P745-P807 HydrophobicContact CB-CB 3.79Å; P745-P807 WeakPolarHBondContact CB-O 3.14Å; P745-P807 HydrophobicContact CG-CB 4.13Å; P745-P807 WeakPolarHBondContact CG-O 3.37Å; P805-P807 WeakPolarHBondContact O-CD 3.37Å |
| 808 | S | 88.7 | Confident | 93.6 | Very high | 87 Ų | 87 | 53 Ų | 53 | 61% | 0.608 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -27.6 | 175.2 | 78 | 0 | 0 | 0 | 0 | 113.3 | D806 | D806-S808 PolarHBondContact O-N 3.03Å; D806-S808 VanDerWaalsContact O-N 3.13Å; D806-S808 WeakPolarHBondContact OD1-CA 3.13Å; D806-S808 VanDerWaalsContact OD1-CB 3.25Å; D806-S808 WeakPolarHBondContact OD1-CB 3.39Å; D806-S808 PolarHBondContact OD1-N 3.06Å; D806-S808 PolarHBondContact OD1-OG 2.85Å; D806-S808 PolarHBondContact OD2-OG 3.18Å |
| 809 | Q | 93.1 | Very high | 93.4 | Very high | 130 Ų | 130 | 53.6 Ų | 53.6 | 61% | 0.607 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -22.7 | 176.4 | -57.4 | -53.8 | -50.4 | 0 | 0 | 112.4 | E804 D806 | E804-Q809 HydrophobicContact CG-CB 3.74Å; D806-Q809 HydrophobicContact CB-CB 4.18Å; D806-Q809 HydrophobicContact CB-CG 3.99Å; D806-Q809 PolarHBondContact O-N 2.97Å |
| 810 | R | 96.1 | Very high | 92.8 | Very high | 9 Ų | 9 | 57 Ų | 57 | 3% | 0.034 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -60.8 | 123.1 | 178.9 | -162.9 | -179.4 | -57.1 | 145.8 | 10.5 | 110.6 | E733 P745 I748 C802 E804 P805 D806 | E733-R810 IonicContact OE1-CZ 2.69Å; E733-R810 IonicContact OE1-NH1 3.54Å; E733-R810 PolarHBondContact OE1-NH1 2.82Å; E733-R810 IonicContact OE1-NH2 2.81Å; E733-R810 IonicContact OE2-CZ 3.19Å; E733-R810 IonicContact OE2-NH1 3.55Å; E733-R810 PolarHBondContact OE2-NH1 2.82Å; E733-R810 IonicContact OE2-NH2 3.21Å; E733-R810 PolarHBondContact OE2-NH2 2.56Å; P745-R810 VanDerWaalsContact C-NH1 3.32Å; P745-R810 HydrophobicContact CB-CB 4.36Å; P745-R810 VanDerWaalsContact O-CD 3.32Å; P745-R810 WeakPolarHBondContact O-CD 3.06Å; P745-R810 PolarHBondContact O-NH1 3.5Å; I748-R810 HydrophobicContact CB-CG 4.48Å; I748-R810 HydrophobicContact CG2-CG 4.09Å; C802-R810 WeakPolarHBondContact O-CD 3.46Å; E804-R810 HydrophobicContact CB-CB 4.08Å; E804-R810 HydrophobicContact CB-CG 4.17Å; E804-R810 HydrophobicContact CG-CB 4.28Å; E804-R810 VanDerWaalsContact O-CZ 3.31Å; E804-R810 PolarHBondContact O-NE 3.36Å; E804-R810 PolarHBondContact O-NH2 3.2Å; P805-R810 PolarHBondContact O-NH2 3.34Å; D806-R810 PolarHBondContact O-N 3.03Å |
| 811 | P | 95.6 | Very high | 92.5 | Very high | 21 Ų | 21 | 53 Ų | 53 | 14% | 0.136 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 147.8 | -171.8 | 28.3 | -36.4 | 0 | 0 | 0 | 112.7 | K801 M815 L816 | K801-P811 HydrophobicContact CB-CG 4.08Å; K801-P811 VanDerWaalsContact O-CD 3.24Å; K801-P811 WeakPolarHBondContact O-CD 3.47Å; P811-M815 HydrophobicContact CB-CB 4.12Å; P811-M815 HydrophobicContact CB-CE 4.32Å; P811-M815 HydrophobicContact CB-SD 4.31Å; P811-L816 HydrophobicContact CB-CD2 4.4Å; P811-L816 HydrophobicContact CB-CG 4.3Å; P811-L816 HydrophobicContact CG-CD1 4.4Å; P811-L816 HydrophobicContact CG-CD2 3.71Å; P811-L816 HydrophobicContact CG-CG 3.99Å |
| 812 | T | 94.2 | Very high | 92 | Very high | 76 Ų | 76 | 48.4 Ų | 48.4 | 47% | 0.466 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 160.6 | 176.8 | 65.1 | 0 | 0 | 0 | 0 | 112.4 | A814 M815 L816 | T812-A814 PolarHBondContact O-N 2.97Å; T812-M815 WeakPolarHBondContact O-CB 3.14Å; T812-M815 PolarHBondContact O-N 3.1Å; T812-M815 WeakPolarHBondContact OG1-CG 3.23Å; T812-M815 PolarHBondContact OG1-N 3.18Å; T812-L816 PolarHBondContact O-N 3.37Å |
| 813 | A | 93.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.008 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -54 | -40.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L672 L675 N676 I748 M815 L816 I817 | L672-A813 HydrophobicContact CD2-CB 4.14Å; L675-A813 HydrophobicContact CB-CB 4.22Å; N676-A813 HydrophobicContact CB-CB 3.86Å; I748-A813 HydrophobicContact CD1-CB 3.95Å; A813-M815 VanDerWaalsContact C-N 3.34Å; A813-M815 PolarHBondContact O-N 3.01Å; A813-L816 PolarHBondContact O-N 3.47Å; A813-I817 VanDerWaalsContact O-CG1 3.29Å; A813-I817 WeakPolarHBondContact O-CG1 3.48Å; A813-I817 PolarHBondContact O-N 3.48Å |
| 814 | A | 91 | Very high | 88.9 | Confident | 36 Ų | 36 | 58.7 Ų | 58.7 | 30% | 0.298 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58 | -42.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | N676 T812 | N676-A814 WeakPolarHBondContact OD1-CB 3.44Å; T812-A814 PolarHBondContact O-N 2.97Å |
| 815 | M | 93.1 | Very high | 86.5 | Confident | 121 Ų | 121 | 56.8 Ų | 56.8 | 60% | 0.596 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -70.6 | -37 | 178.4 | -66 | 167.9 | 74.3 | 0 | 0 | 111.9 | P811 T812 A813 M818 | P811-M815 HydrophobicContact CB-CB 4.12Å; P811-M815 HydrophobicContact CB-CE 4.32Å; P811-M815 HydrophobicContact CB-SD 4.31Å; T812-M815 WeakPolarHBondContact O-CB 3.14Å; T812-M815 PolarHBondContact O-N 3.1Å; T812-M815 WeakPolarHBondContact OG1-CG 3.23Å; T812-M815 PolarHBondContact OG1-N 3.18Å; A813-M815 VanDerWaalsContact C-N 3.34Å; A813-M815 PolarHBondContact O-N 3.01Å; M815-M818 PolarHBondContact O-N 3.31Å |
| 816 | L | 94.9 | Very high | 84.1 | Confident | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.016 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.8 | -37.2 | 178.6 | -70.5 | 168.7 | 0 | 0 | 0 | 112.2 | L672 I748 L798 K801 P811 T812 A813 M818 N819 F822 | L672-L816 HydrophobicContact CD1-CB 3.76Å; L672-L816 HydrophobicContact CD2-CB 3.99Å; L672-L816 HydrophobicContact CD2-CD1 3.96Å; I748-L816 HydrophobicContact CD1-CD1 4.2Å; I748-L816 HydrophobicContact CG2-CD1 3.49Å; I748-L816 VanDerWaalsContact CG2-CD1 3.49Å; L798-L816 HydrophobicContact CD1-CB 4.28Å; L798-L816 HydrophobicContact CD1-CD2 3.48Å; L798-L816 VanDerWaalsContact CD1-CD2 3.48Å; L798-L816 HydrophobicContact CD1-CG 4.46Å; K801-L816 HydrophobicContact CB-CD2 4.26Å; P811-L816 HydrophobicContact CB-CD2 4.4Å; P811-L816 HydrophobicContact CB-CG 4.3Å; P811-L816 HydrophobicContact CG-CD1 4.4Å; P811-L816 HydrophobicContact CG-CD2 3.71Å; P811-L816 HydrophobicContact CG-CG 3.99Å; T812-L816 PolarHBondContact O-N 3.37Å; A813-L816 PolarHBondContact O-N 3.47Å; L816-M818 PolarHBondContact O-N 3.17Å; L816-N819 WeakPolarHBondContact O-CB 3.49Å; L816-N819 PolarHBondContact O-N 3.09Å; L816-F822 WeakPolarHBondContact O-CD2 3.45Å; L816-F822 WeakPolarHBondContact O-CE2 3.49Å |
| 817 | I | 90.5 | Very high | 81.5 | Confident | 34 Ų | 34 | 57.5 Ų | 57.5 | 17% | 0.174 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.3 | -29.3 | 176 | -69 | 163.6 | 0 | 0 | 0 | 112.2 | L672 Q673 N676 A813 N819 | L672-I817 HydrophobicContact CB-CD1 4.03Å; L672-I817 HydrophobicContact CB-CG1 3.59Å; L672-I817 HydrophobicContact CD1-CG1 4.18Å; L672-I817 HydrophobicContact CG-CG1 4.49Å; Q673-I817 HydrophobicContact CG-CD1 4.09Å; N676-I817 HydrophobicContact CB-CD1 4.2Å; A813-I817 VanDerWaalsContact O-CG1 3.29Å; A813-I817 WeakPolarHBondContact O-CG1 3.48Å; A813-I817 PolarHBondContact O-N 3.48Å; I817-N819 VanDerWaalsContact C-N 3.28Å; I817-N819 PolarHBondContact O-N 2.9Å |
| 818 | M | 87.1 | Confident | 78.9 | Confident | 160 Ų | 160 | 64 Ų | 64 | 79% | 0.788 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | 7.6 | 178.7 | -59.1 | -177.4 | -177.8 | 0 | 0 | 113.8 | M815 L816 | M815-M818 PolarHBondContact O-N 3.31Å; L816-M818 PolarHBondContact O-N 3.17Å |
| 819 | N | 90.1 | Very high | 76.5 | Confident | 12 Ų | 12 | 62.9 Ų | 62.9 | 6% | 0.064 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -75.4 | 138.7 | 179.6 | -172 | -53.5 | 0 | 0 | 0 | 111.5 | L798 L816 I817 F821 F822 | L798-N819 HydrophobicContact CD1-CB 3.82Å; L798-N819 WeakPolarHBondContact CD1-ND2 3.32Å; L816-N819 WeakPolarHBondContact O-CB 3.49Å; L816-N819 PolarHBondContact O-N 3.09Å; I817-N819 VanDerWaalsContact C-N 3.28Å; I817-N819 PolarHBondContact O-N 2.9Å; N819-F821 PolarHBondContact O-N 3.03Å; N819-F821 PolarHBondContact OD1-N 3.44Å; N819-F822 HydrophobicContact CB-CD2 4.26Å; N819-F822 HydrophobicContact CB-CE2 4.48Å; N819-F822 PolarHBondContact O-N 3.4Å |
| 820 | S | 85.3 | Confident | 73.7 | Confident | 73 Ų | 73 | 61.5 Ų | 61.5 | 51% | 0.51 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -12.9 | -178 | 58.1 | 0 | 0 | 0 | 0 | 115.9 | F822 D823 | S820-F822 PolarHBondContact O-N 3.41Å; S820-D823 VanDerWaalsContact CA-OD2 3.29Å; S820-D823 WeakPolarHBondContact CA-OD2 3.39Å; S820-D823 WeakPolarHBondContact CB-OD2 2.99Å; S820-D823 PolarHBondContact O-N 3.06Å |
| 821 | F | 89.1 | Confident | 70.8 | Confident | 6 Ų | 6 | 69.1 Ų | 69.1 | 3% | 0.026 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -35.6 | 165.2 | -178.5 | -116.2 | 0 | 0 | 0 | 112.6 | E661 I664 A665 M755 A794 A795 L798 N819 | E661-F821 HydrophobicContact CB-CE2 4.09Å; E661-F821 HydrophobicContact CB-CZ 4.32Å; E661-F821 HydrophobicContact CG-CE2 4.31Å; E661-F821 WeakPolarHBondContact OE2-CE2 3.12Å; I664-F821 HydrophobicContact CB-CZ 4.44Å; I664-F821 HydrophobicContact CG2-CE1 4.41Å; I664-F821 HydrophobicContact CG2-CZ 4.27Å; A665-F821 HydrophobicContact CB-CD1 4.07Å; A665-F821 HydrophobicContact CB-CE1 3.54Å; A665-F821 HydrophobicContact CB-CZ 3.79Å; M755-F821 HydrophobicContact CE-CD1 4.47Å; M755-F821 HydrophobicContact CE-CE1 3.85Å; M755-F821 HydrophobicContact CE-CZ 4.46Å; A794-F821 HydrophobicContact CB-CB 4.29Å; A794-F821 HydrophobicContact CB-CD2 4.21Å; A795-F821 HydrophobicContact CB-CD2 3.92Å; A795-F821 HydrophobicContact CB-CE2 3.56Å; A795-F821 HydrophobicContact CB-CZ 4.13Å; L798-F821 HydrophobicContact CB-CB 4.42Å; L798-F821 HydrophobicContact CD2-CB 4.08Å; L798-F821 HydrophobicContact CD2-CD1 3.37Å; L798-F821 HydrophobicContact CD2-CE1 4.11Å; L798-F821 HydrophobicContact CD2-CG 4.02Å; N819-F821 PolarHBondContact O-N 3.03Å; N819-F821 PolarHBondContact OD1-N 3.44Å |
| 822 | F | 87.4 | Confident | 68.1 | Low | 1 Ų | 1 | 70.5 Ų | 70.5 | 0% | 0.004 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -12.3 | -178.5 | -60.5 | -62.7 | 0 | 0 | 0 | 114.4 | A665 A668 R669 L672 L798 L816 N819 S820 K824 C825 | A665-F822 HydrophobicContact CB-CD1 4.12Å; A665-F822 HydrophobicContact CB-CE1 4.4Å; A665-F822 WeakPolarHBondContact O-CD1 3.31Å; A665-F822 VanDerWaalsContact O-CE1 3.29Å; A665-F822 WeakPolarHBondContact O-CE1 3.18Å; A668-F822 HydrophobicContact CB-CE1 3.95Å; A668-F822 HydrophobicContact CB-CZ 4.15Å; R669-F822 HydrophobicContact CB-CD1 3.79Å; R669-F822 HydrophobicContact CB-CE1 3.8Å; R669-F822 HydrophobicContact CG-CD1 4.43Å; L672-F822 HydrophobicContact CD1-CE2 3.75Å; L672-F822 HydrophobicContact CD1-CZ 3.67Å; L798-F822 HydrophobicContact CD1-CE2 4.25Å; L798-F822 HydrophobicContact CD2-CE1 4.38Å; L798-F822 HydrophobicContact CD2-CE2 3.61Å; L798-F822 HydrophobicContact CD2-CZ 3.52Å; L816-F822 WeakPolarHBondContact O-CD2 3.45Å; L816-F822 WeakPolarHBondContact O-CE2 3.49Å; N819-F822 HydrophobicContact CB-CD2 4.26Å; N819-F822 HydrophobicContact CB-CE2 4.48Å; N819-F822 PolarHBondContact O-N 3.4Å; S820-F822 PolarHBondContact O-N 3.41Å; F822-K824 VanDerWaalsContact C-N 3.29Å; F822-K824 PolarHBondContact O-N 2.97Å; F822-C825 PolarHBondContact O-N 2.93Å |
| 823 | D | 73.5 | Confident | 65.5 | Low | 100 Ų | 100 | 71.5 Ų | 71.5 | 54% | 0.535 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -65.5 | -32.1 | -178 | -68 | -16 | 0 | 0 | 0 | 112 | S820 C825 A826 | S820-D823 VanDerWaalsContact CA-OD2 3.29Å; S820-D823 WeakPolarHBondContact CA-OD2 3.39Å; S820-D823 WeakPolarHBondContact CB-OD2 2.99Å; S820-D823 PolarHBondContact O-N 3.06Å; D823-C825 PolarHBondContact O-N 2.86Å; D823-A826 WeakPolarHBondContact O-CB 3.45Å; D823-A826 PolarHBondContact O-N 2.53Å |
| 824 | K | 54.8 | Low | 63 | Low | 122 Ų | 122 | 77.9 Ų | 77.9 | 53% | 0.53 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -61.1 | -25.7 | 177.8 | -69.8 | -176.2 | 179.2 | 177.7 | 0 | 113.4 | F822 A826 | F822-K824 VanDerWaalsContact C-N 3.29Å; F822-K824 PolarHBondContact O-N 2.97Å; K824-A826 VanDerWaalsContact C-N 3.26Å; K824-A826 PolarHBondContact O-N 2.8Å |
| 825 | C | 46.5 | Very low | 60.5 | Low | 33 Ų | 33 | 79 Ų | 79 | 22% | 0.223 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -72 | -17.6 | 175.5 | -66.9 | 0 | 0 | 0 | 0 | 113.4 | F822 D823 | F822-C825 PolarHBondContact O-N 2.93Å; D823-C825 PolarHBondContact O-N 2.86Å |
| 826 | A | 39.9 | Very low | 58 | Low | 59 Ų | 59 | 74.9 Ų | 74.9 | 49% | 0.488 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -30.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D823 K824 Y828 F829 | D823-A826 WeakPolarHBondContact O-CB 3.45Å; D823-A826 PolarHBondContact O-N 2.53Å; K824-A826 VanDerWaalsContact C-N 3.26Å; K824-A826 PolarHBondContact O-N 2.8Å; A826-Y828 PolarHBondContact O-N 2.77Å; A826-Y828 VanDerWaalsContact O-N 3.17Å; A826-F829 WeakPolarHBondContact O-CB 3.44Å; A826-F829 PolarHBondContact O-N 2.96Å; A826-F829 VanDerWaalsContact O-N 3.09Å |
| 827 | L | 36.7 | Very low | 55.5 | Low | 76 Ų | 76 | 79.9 Ų | 79.9 | 40% | 0.398 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.8 | -14.2 | -174.7 | -64.7 | 173.3 | 0 | 0 | 0 | 114.5 | F829 L1006 | L827-F829 VanDerWaalsContact C-N 3.3Å; L827-L1006 HydrophobicContact CD1-CD1 4.35Å; L827-L1006 HydrophobicContact CD2-CD1 3.61Å; L827-L1006 HydrophobicContact CD2-CD2 3.65Å; L827-L1006 HydrophobicContact CD2-CG 4.3Å |
| 828 | Y | 35.4 | Very low | 53.2 | Low | 183 Ų | 183 | 84.2 Ų | 84.2 | 72% | 0.718 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -74 | -22.5 | 173.4 | -120.6 | -88.3 | 0 | 0 | 0 | 112.7 | A826 F832 | A826-Y828 PolarHBondContact O-N 2.77Å; A826-Y828 VanDerWaalsContact O-N 3.17Å; Y828-F832 WeakPolarHBondContact O-CB 3.39Å; Y828-F832 PolarHBondContact O-N 3.49Å |
| 829 | F | 37.8 | Very low | 50.9 | Low | 64 Ų | 64 | 77.9 Ų | 77.9 | 28% | 0.281 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -73.5 | -42.2 | -176.9 | -116.6 | -122.1 | 0 | 0 | 0 | 112 | A826 L827 Y831 F832 Y833 I912 | A826-F829 WeakPolarHBondContact O-CB 3.44Å; A826-F829 PolarHBondContact O-N 2.96Å; A826-F829 VanDerWaalsContact O-N 3.09Å; L827-F829 VanDerWaalsContact C-N 3.3Å; F829-Y831 VanDerWaalsContact C-N 3.35Å; F829-Y831 PolarHBondContact O-N 3.01Å; F829-F832 PolarHBondContact O-N 3.18Å; F829-Y833 HydrophobicContact CD1-CD2 4.29Å; F829-Y833 AromaticContact CD1-CE2 3.64Å; F829-Y833 HydrophobicContact CD1-CE2 3.64Å; F829-Y833 AromaticContact CE1-CE2 3.84Å; F829-Y833 HydrophobicContact CE1-CE2 3.84Å; F829-Y833 HydrophobicContact CG-CE2 4.5Å; F829-Y833 VanDerWaalsContact O-CD2 3.27Å; F829-Y833 WeakPolarHBondContact O-CD2 3.43Å; F829-Y833 PolarHBondContact O-N 3.32Å; F829-I912 HydrophobicContact CE2-CB 4.41Å; F829-I912 HydrophobicContact CE2-CG1 3.66Å; F829-I912 HydrophobicContact CZ-CG1 4.25Å |
| 830 | D | 35.7 | Very low | 48.6 | Very low | 101 Ų | 101 | 79.7 Ų | 79.7 | 54% | 0.54 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.4 | -38.5 | 179.4 | -60.6 | -37.3 | 0 | 0 | 0 | 111.9 | Y833 L834 | D830-Y833 PolarHBondContact O-N 3.44Å; D830-L834 PolarHBondContact O-N 2.99Å |
| 831 | Y | 34.8 | Very low | 46.6 | Very low | 170 Ų | 170 | 82.2 Ų | 82.2 | 67% | 0.667 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -68.1 | -35 | 175.7 | -139.5 | -86.3 | 0 | 0 | 0 | 112.2 | F829 L835 | F829-Y831 VanDerWaalsContact C-N 3.35Å; F829-Y831 PolarHBondContact O-N 3.01Å; Y831-L835 WeakPolarHBondContact O-CB 3.43Å; Y831-L835 PolarHBondContact O-N 2.91Å; Y831-L835 VanDerWaalsContact O-N 3.13Å |
| 832 | F | 38.1 | Very low | 44.2 | Very low | 50 Ų | 50 | 86.8 Ų | 86.8 | 22% | 0.219 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -69.1 | -35.5 | 176 | -172.4 | -116 | 0 | 0 | 0 | 112.2 | Y828 F829 L835 L836 I908 | Y828-F832 WeakPolarHBondContact O-CB 3.39Å; Y828-F832 PolarHBondContact O-N 3.49Å; F829-F832 PolarHBondContact O-N 3.18Å; F832-L835 PolarHBondContact O-N 2.99Å; F832-L836 HydrophobicContact CD1-CD1 4.11Å; F832-L836 HydrophobicContact CE1-CD1 4.06Å; F832-L836 WeakPolarHBondContact O-CG 3.4Å; F832-L836 PolarHBondContact O-N 3.22Å; F832-I908 HydrophobicContact CE1-CG2 4.19Å |
| 833 | Y | 40.7 | Very low | 41.8 | Very low | 96 Ų | 96 | 90.5 Ų | 90.5 | 38% | 0.376 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -73.9 | -37.1 | 174.6 | -80.8 | -65.8 | 0 | 0 | 0 | 113.7 | F829 D830 L835 L836 D837 | F829-Y833 HydrophobicContact CD1-CD2 4.29Å; F829-Y833 AromaticContact CD1-CE2 3.64Å; F829-Y833 HydrophobicContact CD1-CE2 3.64Å; F829-Y833 AromaticContact CE1-CE2 3.84Å; F829-Y833 HydrophobicContact CE1-CE2 3.84Å; F829-Y833 HydrophobicContact CG-CE2 4.5Å; F829-Y833 VanDerWaalsContact O-CD2 3.27Å; F829-Y833 WeakPolarHBondContact O-CD2 3.43Å; F829-Y833 PolarHBondContact O-N 3.32Å; D830-Y833 PolarHBondContact O-N 3.44Å; Y833-L835 VanDerWaalsContact C-N 3.26Å; Y833-L835 PolarHBondContact O-N 3.2Å; Y833-L836 HydrophobicContact CD1-CD1 3.81Å; Y833-L836 HydrophobicContact CE1-CD1 3.97Å; Y833-L836 PolarHBondContact O-N 3.49Å; Y833-D837 PolarHBondContact O-N 2.89Å; Y833-D837 VanDerWaalsContact O-N 3.14Å |
| 834 | L | 40.5 | Very low | 40.3 | Very low | 136 Ų | 136 | 88.5 Ų | 88.5 | 71% | 0.712 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -62.3 | -36.9 | 171.6 | -132.5 | 92.1 | 0 | 0 | 0 | 111.7 | D830 D837 H838 | D830-L834 PolarHBondContact O-N 2.99Å; L834-D837 PolarHBondContact O-N 3.12Å; L834-H838 PolarHBondContact O-N 2.91Å |
| 835 | L | 38.2 | Very low | 39.6 | Very low | 59 Ų | 59 | 86 Ų | 86 | 31% | 0.309 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -68.3 | -37 | 176.2 | -158.9 | 74.6 | 0 | 0 | 0 | 112.2 | Y831 F832 Y833 D837 H838 L839 I958 | Y831-L835 WeakPolarHBondContact O-CB 3.43Å; Y831-L835 PolarHBondContact O-N 2.91Å; Y831-L835 VanDerWaalsContact O-N 3.13Å; F832-L835 PolarHBondContact O-N 2.99Å; Y833-L835 VanDerWaalsContact C-N 3.26Å; Y833-L835 PolarHBondContact O-N 3.2Å; L835-D837 VanDerWaalsContact C-N 3.33Å; L835-H838 PolarHBondContact O-N 3.1Å; L835-L839 HydrophobicContact CG-CD1 4.48Å; L835-L839 WeakPolarHBondContact O-CB 3.27Å; L835-L839 WeakPolarHBondContact O-CG 3.45Å; L835-L839 PolarHBondContact O-N 3.2Å; L835-I958 HydrophobicContact CD1-CG1 4.38Å; L835-I958 HydrophobicContact CD2-CD1 3.81Å; L835-I958 HydrophobicContact CD2-CG1 4.14Å |
| 836 | L | 41.3 | Very low | 39 | Very low | 35 Ų | 35 | 87.5 Ų | 87.5 | 18% | 0.183 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -63.8 | -35.1 | 173.6 | -82.2 | 164.7 | 0 | 0 | 0 | 112.6 | F832 Y833 L839 S840 W904 I908 | F832-L836 HydrophobicContact CD1-CD1 4.11Å; F832-L836 HydrophobicContact CE1-CD1 4.06Å; F832-L836 WeakPolarHBondContact O-CG 3.4Å; F832-L836 PolarHBondContact O-N 3.22Å; Y833-L836 HydrophobicContact CD1-CD1 3.81Å; Y833-L836 HydrophobicContact CE1-CD1 3.97Å; Y833-L836 PolarHBondContact O-N 3.49Å; L836-L839 PolarHBondContact O-N 3.34Å; L836-S840 WeakPolarHBondContact O-CB 3.38Å; L836-S840 PolarHBondContact O-N 3.18Å; L836-W904 HydrophobicContact CD2-CH2 4.26Å; L836-W904 HydrophobicContact CD2-CZ2 4.38Å; L836-I908 HydrophobicContact CD1-CG2 4.27Å; L836-I908 HydrophobicContact CD2-CD1 4.31Å |
| 837 | D | 42.8 | Very low | 38.8 | Very low | 108 Ų | 108 | 89.6 Ų | 89.6 | 58% | 0.578 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -72.6 | -39.7 | 178.6 | -142.4 | 31.5 | 0 | 0 | 0 | 111.6 | Y833 L834 L835 S840 M841 | Y833-D837 PolarHBondContact O-N 2.89Å; Y833-D837 VanDerWaalsContact O-N 3.14Å; L834-D837 PolarHBondContact O-N 3.12Å; L835-D837 VanDerWaalsContact C-N 3.33Å; D837-S840 WeakPolarHBondContact O-CB 3.49Å; D837-S840 PolarHBondContact O-N 2.89Å; D837-M841 PolarHBondContact O-N 3.47Å; D837-M841 VanDerWaalsContact O-N 3.08Å |
| 838 | H | 41 | Very low | 38.9 | Very low | 124 Ų | 124 | 91.6 Ų | 91.6 | 57% | 0.574 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64 | -39.5 | 169.3 | -109 | -163.7 | 0 | 0 | 0 | 112.8 | L834 L835 M841 Q842 | L834-H838 PolarHBondContact O-N 2.91Å; L835-H838 PolarHBondContact O-N 3.1Å; H838-M841 PolarHBondContact O-N 3.4Å; H838-Q842 PolarHBondContact O-N 3.49Å |
| 839 | L | 39.1 | Very low | 38.8 | Very low | 27 Ų | 27 | 85.4 Ų | 85.4 | 14% | 0.141 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -64.2 | -40.1 | 173.6 | -88.7 | 161.2 | 0 | 0 | 0 | 112.2 | L835 L836 M841 Q842 I843 I954 | L835-L839 HydrophobicContact CG-CD1 4.48Å; L835-L839 WeakPolarHBondContact O-CB 3.27Å; L835-L839 WeakPolarHBondContact O-CG 3.45Å; L835-L839 PolarHBondContact O-N 3.2Å; L836-L839 PolarHBondContact O-N 3.34Å; L839-M841 VanDerWaalsContact C-N 3.32Å; L839-M841 PolarHBondContact O-N 2.78Å; L839-Q842 PolarHBondContact O-N 3.17Å; L839-I843 VanDerWaalsContact O-CB 3.31Å; L839-I843 WeakPolarHBondContact O-CB 3.49Å; L839-I843 VanDerWaalsContact O-CG1 3.24Å; L839-I843 WeakPolarHBondContact O-CG1 3.37Å; L839-I843 PolarHBondContact O-N 3.26Å; L839-I954 HydrophobicContact CD1-CG2 4.01Å; L839-I954 HydrophobicContact CD2-CB 4.21Å; L839-I954 HydrophobicContact CD2-CD1 3.87Å; L839-I954 HydrophobicContact CD2-CG1 3.62Å; L839-I954 HydrophobicContact CD2-CG2 3.65Å; L839-I954 HydrophobicContact CG-CG2 4.45Å |
| 840 | S | 42 | Very low | 38.5 | Very low | 51 Ų | 51 | 86.4 Ų | 86.4 | 36% | 0.357 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -58.1 | -43.9 | 173 | -176.9 | 0 | 0 | 0 | 0 | 111.4 | L836 D837 S844 | L836-S840 WeakPolarHBondContact O-CB 3.38Å; L836-S840 PolarHBondContact O-N 3.18Å; D837-S840 WeakPolarHBondContact O-CB 3.49Å; D837-S840 PolarHBondContact O-N 2.89Å; S840-S844 VanDerWaalsContact O-CB 3.28Å; S840-S844 WeakPolarHBondContact O-CB 3.43Å; S840-S844 PolarHBondContact O-N 3.39Å; S840-S844 PolarHBondContact O-OG 3.49Å |
| 841 | M | 44.1 | Very low | 38.5 | Very low | 126 Ų | 126 | 86.5 Ų | 86.5 | 62% | 0.621 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -67.5 | -42.8 | 175.2 | -71.3 | -142.7 | -63.9 | 0 | 0 | 113.5 | D837 H838 L839 S844 S845 | D837-M841 PolarHBondContact O-N 3.47Å; D837-M841 VanDerWaalsContact O-N 3.08Å; H838-M841 PolarHBondContact O-N 3.4Å; L839-M841 VanDerWaalsContact C-N 3.32Å; L839-M841 PolarHBondContact O-N 2.78Å; M841-S844 WeakPolarHBondContact O-CB 3.5Å; M841-S844 PolarHBondContact O-N 3.13Å; M841-S845 PolarHBondContact O-N 3.03Å |
| 842 | Q | 38.2 | Very low | 38.5 | Very low | 102 Ų | 102 | 85.6 Ų | 85.6 | 48% | 0.477 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -69 | -36 | 178.2 | -78.6 | -173.9 | -43.4 | 0 | 0 | 113.2 | H838 L839 S844 S845 S846 | H838-Q842 PolarHBondContact O-N 3.49Å; L839-Q842 PolarHBondContact O-N 3.17Å; Q842-S844 VanDerWaalsContact C-N 3.34Å; Q842-S845 PolarHBondContact O-N 3.37Å; Q842-S845 PolarHBondContact O-OG 2.99Å; Q842-S845 VanDerWaalsContact O-OG 3.07Å; Q842-S846 VanDerWaalsContact O-CB 3.26Å; Q842-S846 WeakPolarHBondContact O-CB 3.47Å; Q842-S846 PolarHBondContact O-N 2.96Å; Q842-S846 PolarHBondContact O-OG 2.66Å |
| 843 | I | 37.5 | Very low | 38.3 | Very low | 79 Ų | 79 | 89.5 Ų | 89.5 | 41% | 0.405 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.8 | -40.6 | 172.3 | -70.1 | 166.9 | 0 | 0 | 0 | 109.6 | L839 S846 L847 | L839-I843 VanDerWaalsContact O-CB 3.31Å; L839-I843 WeakPolarHBondContact O-CB 3.49Å; L839-I843 VanDerWaalsContact O-CG1 3.24Å; L839-I843 WeakPolarHBondContact O-CG1 3.37Å; L839-I843 PolarHBondContact O-N 3.26Å; I843-S846 PolarHBondContact O-N 3.33Å; I843-L847 HydrophobicContact CG2-CD1 3.81Å; I843-L847 WeakPolarHBondContact O-CB 3.37Å; I843-L847 WeakPolarHBondContact O-CG 3.39Å; I843-L847 PolarHBondContact O-N 3.06Å |
| 844 | S | 41.2 | Very low | 37.9 | Very low | 58 Ų | 58 | 90.9 Ų | 90.9 | 41% | 0.406 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 174.4 | -60.9 | 0 | 0 | 0 | 0 | 112.5 | S840 M841 Q842 L848 | S840-S844 VanDerWaalsContact O-CB 3.28Å; S840-S844 WeakPolarHBondContact O-CB 3.43Å; S840-S844 PolarHBondContact O-N 3.39Å; S840-S844 PolarHBondContact O-OG 3.49Å; M841-S844 WeakPolarHBondContact O-CB 3.5Å; M841-S844 PolarHBondContact O-N 3.13Å; Q842-S844 VanDerWaalsContact C-N 3.34Å; S844-L848 PolarHBondContact O-N 3.46Å; S844-L848 VanDerWaalsContact O-N 3.11Å |
| 845 | S | 40.2 | Very low | 37.5 | Very low | 69 Ų | 69 | 91 Ų | 91 | 48% | 0.483 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.9 | -35.9 | 177.1 | 69.4 | 0 | 0 | 0 | 0 | 112.7 | M841 Q842 L848 S849 | M841-S845 PolarHBondContact O-N 3.03Å; Q842-S845 PolarHBondContact O-N 3.37Å; Q842-S845 PolarHBondContact O-OG 2.99Å; Q842-S845 VanDerWaalsContact O-OG 3.07Å; S845-L848 WeakPolarHBondContact O-CB 3.39Å; S845-L848 PolarHBondContact O-N 3.02Å; S845-S849 PolarHBondContact O-N 2.93Å |
| 846 | S | 34 | Very low | 37.1 | Very low | 64 Ų | 64 | 96.6 Ų | 96.6 | 45% | 0.448 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -73.7 | -30.5 | 179 | -54.8 | 0 | 0 | 0 | 0 | 112.6 | Q842 I843 S849 L850 | Q842-S846 VanDerWaalsContact O-CB 3.26Å; Q842-S846 WeakPolarHBondContact O-CB 3.47Å; Q842-S846 PolarHBondContact O-N 2.96Å; Q842-S846 PolarHBondContact O-OG 2.66Å; I843-S846 PolarHBondContact O-N 3.33Å; S846-S849 PolarHBondContact O-OG 3.36Å; S846-L850 PolarHBondContact O-N 2.96Å; S846-L850 VanDerWaalsContact O-N 3.13Å |
| 847 | L | 35.2 | Very low | 36.5 | Very low | 103 Ų | 103 | 106 Ų | 106 | 54% | 0.539 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -72.3 | -29.8 | 169.3 | -77.6 | 165.4 | 0 | 0 | 0 | 112.1 | I843 L850 N851 | I843-L847 HydrophobicContact CG2-CD1 3.81Å; I843-L847 WeakPolarHBondContact O-CB 3.37Å; I843-L847 WeakPolarHBondContact O-CG 3.39Å; I843-L847 PolarHBondContact O-N 3.06Å; L847-L850 HydrophobicContact CD2-CD1 4.33Å; L847-L850 PolarHBondContact O-N 3.35Å; L847-N851 PolarHBondContact O-N 2.93Å |
| 848 | L | 38.2 | Very low | 35.9 | Very low | 118 Ų | 118 | 106.1 Ų | 106.1 | 62% | 0.618 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.6 | -42.1 | 171 | -103.4 | 139.5 | 0 | 0 | 0 | 112.3 | S844 S845 L850 N851 E852 | S844-L848 PolarHBondContact O-N 3.46Å; S844-L848 VanDerWaalsContact O-N 3.11Å; S845-L848 WeakPolarHBondContact O-CB 3.39Å; S845-L848 PolarHBondContact O-N 3.02Å; L848-L850 VanDerWaalsContact C-N 3.31Å; L848-L850 PolarHBondContact O-N 2.71Å; L848-N851 WeakPolarHBondContact O-CB 3.36Å; L848-N851 PolarHBondContact O-N 2.9Å; L848-N851 VanDerWaalsContact O-N 3.13Å; L848-E852 PolarHBondContact O-N 3.41Å |
| 849 | S | 34.4 | Very low | 35.5 | Very low | 54 Ų | 54 | 105.6 Ų | 105.6 | 38% | 0.378 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -70.2 | -25.4 | 174.1 | 60.5 | 0 | 0 | 0 | 0 | 113.5 | S845 S846 N851 E852 I853 | S845-S849 PolarHBondContact O-N 2.93Å; S846-S849 PolarHBondContact O-OG 3.36Å; S849-N851 VanDerWaalsContact C-N 3.29Å; S849-N851 PolarHBondContact O-N 2.87Å; S849-E852 PolarHBondContact O-N 3.04Å; S849-I853 PolarHBondContact O-N 3.45Å |
| 850 | L | 30.9 | Very low | 35.2 | Very low | 84 Ų | 84 | 110.3 Ų | 110.3 | 44% | 0.44 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66.7 | -26.9 | 168.7 | -93.1 | 161.6 | 0 | 0 | 0 | 113.4 | S846 L847 L848 L854 | S846-L850 PolarHBondContact O-N 2.96Å; S846-L850 VanDerWaalsContact O-N 3.13Å; L847-L850 HydrophobicContact CD2-CD1 4.33Å; L847-L850 PolarHBondContact O-N 3.35Å; L848-L850 VanDerWaalsContact C-N 3.31Å; L848-L850 PolarHBondContact O-N 2.71Å; L850-L854 WeakPolarHBondContact O-CD1 3.33Å; L850-L854 WeakPolarHBondContact O-CG 3.23Å; L850-L854 PolarHBondContact O-N 2.66Å |
| 851 | N | 36.8 | Very low | 34.7 | Very low | 103 Ų | 103 | 116 Ų | 116 | 55% | 0.551 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -69.6 | -41.2 | 170.1 | -78.8 | -34.8 | 0 | 0 | 0 | 111.4 | L847 L848 S849 I853 L854 D855 | L847-N851 PolarHBondContact O-N 2.93Å; L848-N851 WeakPolarHBondContact O-CB 3.36Å; L848-N851 PolarHBondContact O-N 2.9Å; L848-N851 VanDerWaalsContact O-N 3.13Å; S849-N851 VanDerWaalsContact C-N 3.29Å; S849-N851 PolarHBondContact O-N 2.87Å; N851-I853 VanDerWaalsContact C-N 3.28Å; N851-I853 PolarHBondContact O-N 3.47Å; N851-L854 PolarHBondContact O-N 3.44Å; N851-D855 PolarHBondContact O-N 2.84Å; N851-D855 VanDerWaalsContact O-N 3.09Å |
| 852 | E | 34.8 | Very low | 34 | Very low | 152 Ų | 152 | 119.4 Ų | 119.4 | 71% | 0.71 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -61.9 | -36.2 | 178.4 | -66.3 | -177.1 | 148.6 | 0 | 0 | 112.1 | L848 S849 L854 D855 | L848-E852 PolarHBondContact O-N 3.41Å; S849-E852 PolarHBondContact O-N 3.04Å; E852-L854 VanDerWaalsContact C-N 3.3Å; E852-L854 PolarHBondContact O-N 3.45Å; E852-D855 PolarHBondContact O-N 2.87Å |
| 853 | I | 33.9 | Very low | 33.6 | Very low | 131 Ų | 131 | 118.6 Ų | 118.6 | 67% | 0.672 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -73 | -21 | 175.6 | -64.5 | 169.1 | 0 | 0 | 0 | 112.5 | S849 N851 | S849-I853 PolarHBondContact O-N 3.45Å; N851-I853 VanDerWaalsContact C-N 3.28Å; N851-I853 PolarHBondContact O-N 3.47Å |
| 854 | L | 31.5 | Very low | 33.2 | Very low | 126 Ų | 126 | 119.5 Ų | 119.5 | 66% | 0.66 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -91.2 | -12.1 | 176.5 | -73.3 | 169.5 | 0 | 0 | 0 | 113.5 | L850 N851 E852 | L850-L854 WeakPolarHBondContact O-CD1 3.33Å; L850-L854 WeakPolarHBondContact O-CG 3.23Å; L850-L854 PolarHBondContact O-N 2.66Å; N851-L854 PolarHBondContact O-N 3.44Å; E852-L854 VanDerWaalsContact C-N 3.3Å; E852-L854 PolarHBondContact O-N 3.45Å |
| 855 | D | 32.6 | Very low | 32.9 | Very low | 138 Ų | 138 | 122.7 Ų | 122.7 | 74% | 0.738 | 69% | 0.689 | S | S | * | * | trans | -102.8 | 6.8 | -174.9 | -137.4 | 6.9 | 0 | 0 | 0 | 114.2 | N851 E852 R857 | N851-D855 PolarHBondContact O-N 2.84Å; N851-D855 VanDerWaalsContact O-N 3.09Å; E852-D855 PolarHBondContact O-N 2.87Å; D855-R857 PolarHBondContact O-N 2.98Å | ||
| 856 | E | 29.5 | Very low | 32.7 | Very low | 176 Ų | 176 | 125.8 Ų | 125.8 | 82% | 0.822 | 71% | 0.705 | S | S | * | * | trans | -72.3 | 64.3 | 167.2 | -75.8 | -154.7 | 156.5 | 0 | 0 | 112.6 | ||||
| 857 | R | 29.3 | Very low | 32.6 | Very low | 232 Ų | 232 | 128.4 Ų | 128.4 | 88% | 0.875 | 72% | 0.721 | S | S | * | * | trans | -94.2 | 79.9 | 149.9 | -76 | -171.5 | 177.2 | -174.6 | 2.2 | 108.9 | D855 | D855-R857 PolarHBondContact O-N 2.98Š| ||
| 858 | S | 30.6 | Very low | 32.3 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | trans | -60.1 | 137.3 | 174.2 | 53.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 859 | P | 31.5 | Very low | 32.1 | Very low | 114 Ų | 114 | 132.7 Ų | 132.7 | 74% | 0.74 | 74% | 0.743 | S | S | * | * | trans | -88.7 | 153.4 | -171.3 | 33.3 | -35.8 | 0 | 0 | 0 | 114.6 | ||||
| 860 | S | 33 | Very low | 32.2 | Very low | 126 Ų | 126 | 136.1 Ų | 136.1 | 88% | 0.881 | 76% | 0.764 | S | S | * | * | trans | 84.7 | 148.5 | 158.1 | 76.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 861 | E | 32.4 | Very low | 32.1 | Very low | 169 Ų | 169 | 135.2 Ų | 135.2 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | -98.5 | 154.9 | -165.5 | -48.4 | 163 | 124.8 | 0 | 0 | 113.5 | ||||
| 862 | K | 28.9 | Very low | 32 | Very low | 199 Ų | 199 | 136.7 Ų | 136.7 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | 158.7 | 141.6 | 117.9 | -87.4 | 159.9 | -171.9 | 176.4 | 0 | 114.2 | |||||
| 863 | G | 29.4 | Very low | 31.8 | Very low | 84 Ų | 84 | 135 Ų | 135 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | trans | 116.8 | 122.4 | 157.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 864 | A | 29.3 | Very low | 31.7 | Very low | 98 Ų | 98 | 133 Ų | 133 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | -112.1 | -175.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 865 | P | 33.6 | Very low | 31.7 | Very low | 125 Ų | 125 | 137.4 Ų | 137.4 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | cis | -131.7 | -172.4 | -4.5 | 38.6 | -18.4 | 0 | 0 | 0 | 115 | ||||
| 866 | V | 37 | Very low | 31.8 | Very low | 134 Ų | 134 | 134.6 Ų | 134.6 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | trans | -87.9 | 155.6 | -174 | 179 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 867 | P | 31.8 | Very low | 31.9 | Very low | 120 Ų | 120 | 130.1 Ų | 130.1 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | -135.3 | 146.2 | 124.2 | 33.8 | -20.6 | 0 | 0 | 0 | 116.2 | |||||
| 868 | E | 30 | Very low | 32.1 | Very low | 180 Ų | 180 | 125.8 Ų | 125.8 | 84% | 0.841 | 77% | 0.773 | S | S | * | * | trans | -11.4 | 153.4 | 159 | -61.1 | 176.2 | 162.6 | 0 | 0 | 119.7 | ||||
| 869 | V | 33.2 | Very low | 32.2 | Very low | 130 Ų | 130 | 126.8 Ų | 126.8 | 79% | 0.788 | 77% | 0.769 | S | S | * | * | cis | 179.9 | 163.9 | -1.1 | 126.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 870 | P | 37.2 | Very low | 32.5 | Very low | 127 Ų | 127 | 131 Ų | 131 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | cis | -119.8 | -166.7 | -12 | 33.9 | -14.1 | 0 | 0 | 0 | 113.9 | ||||
| 871 | G | 27.5 | Very low | 33.1 | Very low | 65 Ų | 65 | 131.5 Ų | 131.5 | 67% | 0.67 | 76% | 0.756 | S | S | * | * | trans | 162.1 | 146.7 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 872 | P | 34.2 | Very low | 33.5 | Very low | 133 Ų | 133 | 126.4 Ų | 126.4 | 86% | 0.864 | 73% | 0.732 | S | S | * | * | trans | -76.1 | 138.7 | -159.8 | 28.7 | -35.6 | 0 | 0 | 0 | 115.9 | S874 | P872-S874 PolarHBondContact O-N 3.17Š| ||
| 873 | S | 30.8 | Very low | 34.4 | Very low | 117 Ų | 117 | 120.2 Ų | 120.2 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | trans | -81.7 | 102.7 | 175.6 | 161.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 874 | S | 33.3 | Very low | 35.4 | Very low | 88 Ų | 88 | 121.7 Ų | 121.7 | 62% | 0.615 | 70% | 0.698 | S | S | * | * | trans | -135.4 | -13 | 165.9 | 61.9 | 0 | 0 | 0 | 0 | 115.2 | P872 | P872-S874 PolarHBondContact O-N 3.17Š| ||
| 875 | R | 30.8 | Very low | 36.2 | Very low | 220 Ų | 220 | 121.7 Ų | 121.7 | 83% | 0.83 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -93.5 | -22.6 | -167.7 | -140.1 | 167.2 | -179 | 162.5 | -1.7 | 115.3 | ||
| 876 | A | 34.2 | Very low | 36.8 | Very low | 79 Ų | 79 | 123.3 Ų | 123.3 | 65% | 0.653 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -83.7 | -25.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 877 | S | 32.6 | Very low | 37.5 | Very low | 82 Ų | 82 | 123.5 Ų | 123.5 | 57% | 0.573 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -76.8 | -27 | 177.4 | 52.7 | 0 | 0 | 0 | 0 | 113 | ||
| 878 | F | 32.4 | Very low | 38.4 | Very low | 141 Ų | 141 | 122.2 Ų | 122.2 | 62% | 0.618 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -68.3 | -42.4 | -177.1 | -141.1 | -89.9 | 0 | 0 | 0 | 112.2 | R880 E882 | F878-R880 PolarHBondContact O-N 2.93Å; F878-E882 PolarHBondContact O-N 3.38Å |
| 879 | L | 34.3 | Very low | 39.2 | Very low | 132 Ų | 132 | 116 Ų | 116 | 69% | 0.691 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -66.6 | -33.3 | -179.3 | -71.1 | 167.4 | 0 | 0 | 0 | 113.2 | E882 S883 | L879-E882 PolarHBondContact O-N 3.5Å; L879-S883 PolarHBondContact O-N 3.34Å |
| 880 | R | 37.7 | Very low | 39.9 | Very low | 203 Ų | 203 | 111.8 Ų | 111.8 | 77% | 0.766 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -73.5 | -29.8 | -175.8 | -155.4 | 176 | -171 | 176.4 | 3.1 | 113.5 | F878 S883 | F878-R880 PolarHBondContact O-N 2.93Å; R880-S883 PolarHBondContact O-OG 3.02Å |
| 881 | K | 45.5 | Very low | 40.5 | Very low | 135 Ų | 135 | 107 Ų | 107 | 59% | 0.587 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -77.3 | -27.1 | 171 | -74.7 | -173.8 | 174.3 | -177.6 | 0 | 112.3 | E884 R885 | K881-E884 PolarHBondContact O-N 3.47Å; K881-R885 WeakPolarHBondContact O-CB 3.37Å; K881-R885 WeakPolarHBondContact O-CD 3.36Å; K881-R885 WeakPolarHBondContact O-CG 3.3Å; K881-R885 PolarHBondContact O-N 3.18Å |
| 882 | E | 40.5 | Very low | 41.6 | Very low | 63 Ų | 63 | 105.2 Ų | 105.2 | 29% | 0.294 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -71.2 | -31.9 | -178.3 | -156.5 | 61.1 | -161.7 | 0 | 0 | 112.9 | F878 L879 R885 R886 | F878-E882 PolarHBondContact O-N 3.38Å; L879-E882 PolarHBondContact O-N 3.5Å; E882-R885 WeakPolarHBondContact OE2-CD 3.37Å; E882-R885 IonicContact OE2-CZ 3.23Å; E882-R885 IonicContact OE2-NE 2.67Å; E882-R885 IonicContact OE2-NH1 2.85Å; E882-R885 PolarHBondContact OE2-NH1 3.08Å; E882-R886 VanDerWaalsContact O-CG 3.3Å; E882-R886 WeakPolarHBondContact O-CG 3.3Å; E882-R886 PolarHBondContact O-N 3.01Å; E882-R886 VanDerWaalsContact O-N 3.16Å |
| 883 | S | 47.3 | Very low | 42.1 | Very low | 68 Ų | 68 | 103 Ų | 103 | 48% | 0.476 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.5 | -45.9 | 171 | 47.2 | 0 | 0 | 0 | 0 | 112.7 | L879 R880 R885 R886 E887 | L879-S883 PolarHBondContact O-N 3.34Å; R880-S883 PolarHBondContact O-OG 3.02Å; S883-R885 PolarHBondContact O-N 3.37Å; S883-R886 PolarHBondContact O-N 3.46Å; S883-E887 PolarHBondContact O-N 2.91Å |
| 884 | E | 50.7 | Low | 43 | Very low | 116 Ų | 116 | 104 Ų | 104 | 54% | 0.542 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64 | -39.1 | 176.8 | -70.7 | 178.3 | 152.2 | 0 | 0 | 111.8 | K881 R886 E887 I888 | K881-E884 PolarHBondContact O-N 3.47Å; E884-R886 PolarHBondContact O-N 3.02Å; E884-E887 PolarHBondContact O-N 2.88Å; E884-I888 WeakPolarHBondContact O-CG1 3.4Å; E884-I888 PolarHBondContact O-N 3.15Å |
| 885 | R | 45.8 | Very low | 43.7 | Very low | 97 Ų | 97 | 107 Ų | 107 | 37% | 0.366 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -56.4 | -47.2 | 172.7 | -78.4 | 165.3 | 174.1 | 173.2 | -3.3 | 111.9 | K881 E882 S883 L889 W939 | K881-R885 WeakPolarHBondContact O-CB 3.37Å; K881-R885 WeakPolarHBondContact O-CD 3.36Å; K881-R885 WeakPolarHBondContact O-CG 3.3Å; K881-R885 PolarHBondContact O-N 3.18Å; E882-R885 WeakPolarHBondContact OE2-CD 3.37Å; E882-R885 IonicContact OE2-CZ 3.23Å; E882-R885 IonicContact OE2-NE 2.67Å; E882-R885 IonicContact OE2-NH1 2.85Å; E882-R885 PolarHBondContact OE2-NH1 3.08Å; S883-R885 PolarHBondContact O-N 3.37Å; R885-L889 WeakPolarHBondContact O-CB 3.31Å; R885-L889 PolarHBondContact O-N 3.14Å; R885-L889 VanDerWaalsContact O-N 3.11Å; R885-W939 HydrophobicContact CG-CH2 4.25Å |
| 886 | R | 47.1 | Very low | 44.4 | Very low | 159 Ų | 159 | 97 Ų | 97 | 60% | 0.6 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.7 | -40.1 | 178.2 | -72.5 | 172.5 | -171.7 | -134.9 | 0.2 | 111.9 | E882 S883 E884 S890 | E882-R886 VanDerWaalsContact O-CG 3.3Å; E882-R886 WeakPolarHBondContact O-CG 3.3Å; E882-R886 PolarHBondContact O-N 3.01Å; E882-R886 VanDerWaalsContact O-N 3.16Å; S883-R886 PolarHBondContact O-N 3.46Å; E884-R886 PolarHBondContact O-N 3.02Å; R886-S890 WeakPolarHBondContact O-CB 3.5Å; R886-S890 PolarHBondContact O-N 3.37Å |
| 887 | E | 51.3 | Low | 44.8 | Very low | 139 Ų | 139 | 96.5 Ų | 96.5 | 65% | 0.65 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -66 | -46.4 | -178.7 | -158.2 | 165.9 | -150 | 0 | 0 | 111.7 | S883 E884 S890 G891 | S883-E887 PolarHBondContact O-N 2.91Å; E884-E887 PolarHBondContact O-N 2.88Å; E887-S890 PolarHBondContact O-N 3.09Å; E887-S890 PolarHBondContact O-OG 3.28Å; E887-G891 PolarHBondContact O-N 3.18Å |
| 888 | I | 50.1 | Low | 45.4 | Very low | 92 Ų | 92 | 98.9 Ų | 98.9 | 47% | 0.472 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 176.6 | -67 | 167.5 | 0 | 0 | 0 | 111.7 | E884 S890 G891 I892 W939 | E884-I888 WeakPolarHBondContact O-CG1 3.4Å; E884-I888 PolarHBondContact O-N 3.15Å; I888-S890 VanDerWaalsContact C-N 3.31Å; I888-S890 PolarHBondContact O-N 3.47Å; I888-G891 PolarHBondContact O-N 3.3Å; I888-G891 VanDerWaalsContact O-N 3.12Å; I888-I892 HydrophobicContact CG2-CD1 4Å; I888-I892 PolarHBondContact O-N 3.05Å; I888-I892 VanDerWaalsContact O-N 3.08Å; I888-W939 HydrophobicContact CB-CH2 4.47Å; I888-W939 HydrophobicContact CB-CZ3 4.22Å; I888-W939 HydrophobicContact CD1-CH2 4.13Å; I888-W939 HydrophobicContact CG2-CH2 4.3Å; I888-W939 HydrophobicContact CG2-CZ3 3.9Å |
| 889 | L | 46.3 | Very low | 46.3 | Very low | 51 Ų | 51 | 99 Ų | 99 | 27% | 0.267 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.5 | -38.6 | 175.1 | -92.4 | 152.1 | 0 | 0 | 0 | 112 | R885 G891 I892 M893 W939 L943 | R885-L889 WeakPolarHBondContact O-CB 3.31Å; R885-L889 PolarHBondContact O-N 3.14Å; R885-L889 VanDerWaalsContact O-N 3.11Å; L889-G891 VanDerWaalsContact C-N 3.27Å; L889-G891 PolarHBondContact O-N 3.5Å; L889-I892 PolarHBondContact O-N 2.97Å; L889-M893 WeakPolarHBondContact O-CB 3.49Å; L889-M893 PolarHBondContact O-N 3.45Å; L889-W939 HydrophobicContact CD1-CE3 4.4Å; L889-L943 HydrophobicContact CD2-CD1 3.87Å |
| 890 | S | 48.2 | Very low | 46.9 | Very low | 40 Ų | 40 | 94.1 Ų | 94.1 | 28% | 0.28 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.4 | -26.4 | 174.9 | 86.1 | 0 | 0 | 0 | 0 | 113.5 | R886 E887 I888 R894 | R886-S890 WeakPolarHBondContact O-CB 3.5Å; R886-S890 PolarHBondContact O-N 3.37Å; E887-S890 PolarHBondContact O-N 3.09Å; E887-S890 PolarHBondContact O-OG 3.28Å; I888-S890 VanDerWaalsContact C-N 3.31Å; I888-S890 PolarHBondContact O-N 3.47Å; S890-R894 WeakPolarHBondContact O-CB 3.29Å; S890-R894 WeakPolarHBondContact O-CG 3.43Å; S890-R894 PolarHBondContact O-N 3.48Å; S890-R894 PolarHBondContact O-NE 3.14Å; S890-R894 PolarHBondContact OG-NH2 2.65Å |
| 891 | G | 50.8 | Low | 47.3 | Very low | 28 Ų | 28 | 87.6 Ų | 87.6 | 29% | 0.289 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -73.1 | -50.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E887 I888 L889 M893 R894 E895 | E887-G891 PolarHBondContact O-N 3.18Å; I888-G891 PolarHBondContact O-N 3.3Å; I888-G891 VanDerWaalsContact O-N 3.12Å; L889-G891 VanDerWaalsContact C-N 3.27Å; L889-G891 PolarHBondContact O-N 3.5Å; G891-M893 VanDerWaalsContact C-N 3.3Å; G891-M893 PolarHBondContact O-N 3.21Å; G891-R894 PolarHBondContact O-N 3.39Å; G891-R894 VanDerWaalsContact O-N 3.14Å; G891-E895 PolarHBondContact O-N 3.25Å |
| 892 | I | 49.8 | Very low | 47.4 | Very low | 27 Ų | 27 | 86.3 Ų | 86.3 | 14% | 0.138 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61.1 | -39.7 | 179.3 | -65 | 166.2 | 0 | 0 | 0 | 111.4 | I888 L889 S896 L930 I935 | I888-I892 HydrophobicContact CG2-CD1 4Å; I888-I892 PolarHBondContact O-N 3.05Å; I888-I892 VanDerWaalsContact O-N 3.08Å; L889-I892 PolarHBondContact O-N 2.97Å; I892-S896 WeakPolarHBondContact O-CB 3.38Å; I892-S896 PolarHBondContact O-N 3.41Å; I892-S896 PolarHBondContact O-OG 3.42Å; I892-S896 VanDerWaalsContact O-OG 3.08Å; I892-L930 HydrophobicContact CG2-CD2 3.8Å; I892-I935 HydrophobicContact CD1-CD1 3.99Å; I892-I935 HydrophobicContact CD1-CG1 4.2Å; I892-I935 HydrophobicContact CG2-CD1 4.13Å |
| 893 | M | 45.1 | Very low | 47.9 | Very low | 85 Ų | 85 | 84.8 Ų | 84.8 | 42% | 0.419 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -68.7 | -38.7 | 175.3 | -76 | -167.5 | 146.8 | 0 | 0 | 112.6 | L889 G891 S896 E897 L943 | L889-M893 WeakPolarHBondContact O-CB 3.49Å; L889-M893 PolarHBondContact O-N 3.45Å; G891-M893 VanDerWaalsContact C-N 3.3Å; G891-M893 PolarHBondContact O-N 3.21Å; M893-S896 PolarHBondContact O-N 2.83Å; M893-E897 VanDerWaalsContact O-CA 3.3Å; M893-E897 WeakPolarHBondContact O-CA 3.44Å; M893-E897 WeakPolarHBondContact O-CB 3.39Å; M893-E897 PolarHBondContact O-N 2.86Å; M893-L943 HydrophobicContact CE-CD1 4.14Å |
| 894 | R | 48.9 | Very low | 47.8 | Very low | 138 Ų | 138 | 86.7 Ų | 86.7 | 52% | 0.521 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 173.2 | -87.4 | -179.2 | -88.5 | -172 | -8.8 | 113.1 | S890 G891 S896 | S890-R894 WeakPolarHBondContact O-CB 3.29Å; S890-R894 WeakPolarHBondContact O-CG 3.43Å; S890-R894 PolarHBondContact O-N 3.48Å; S890-R894 PolarHBondContact O-NE 3.14Å; S890-R894 PolarHBondContact OG-NH2 2.65Å; G891-R894 PolarHBondContact O-N 3.39Å; G891-R894 VanDerWaalsContact O-N 3.14Å; R894-S896 VanDerWaalsContact C-N 3.3Å; R894-S896 PolarHBondContact O-N 2.86Å |
| 895 | E | 48.8 | Very low | 47.5 | Very low | 152 Ų | 152 | 85.4 Ų | 85.4 | 71% | 0.71 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -69.2 | -28.3 | 178.9 | -72.2 | -173 | 173.7 | 0 | 0 | 113.4 | G891 H933 | G891-E895 PolarHBondContact O-N 3.25Å; E895-H933 IonicContact OE2-CE1 3.76Å |
| 896 | S | 45.5 | Very low | 47.6 | Very low | 9 Ų | 9 | 82.4 Ų | 82.4 | 6% | 0.063 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -106.3 | 1.6 | -173.6 | -51.2 | 0 | 0 | 0 | 0 | 113.6 | I892 M893 R894 N898 R899 I900 H933 | I892-S896 WeakPolarHBondContact O-CB 3.38Å; I892-S896 PolarHBondContact O-N 3.41Å; I892-S896 PolarHBondContact O-OG 3.42Å; I892-S896 VanDerWaalsContact O-OG 3.08Å; M893-S896 PolarHBondContact O-N 2.83Å; R894-S896 VanDerWaalsContact C-N 3.3Å; R894-S896 PolarHBondContact O-N 2.86Å; S896-N898 PolarHBondContact O-N 2.84Å; S896-R899 WeakPolarHBondContact O-CA 3.46Å; S896-R899 WeakPolarHBondContact O-CB 3.49Å; S896-R899 PolarHBondContact O-N 3.26Å; S896-I900 WeakPolarHBondContact O-CG1 3.47Å; S896-I900 PolarHBondContact O-N 3Å; S896-H933 PolarHBondContact OG-NE2 2.9Å |
| 897 | E | 42.9 | Very low | 47.5 | Very low | 70 Ų | 70 | 75 Ų | 75 | 33% | 0.327 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -51.3 | -61.5 | -165.8 | -169.3 | 174.3 | 172.9 | 0 | 0 | 113.1 | M893 R899 I900 I901 L1028 | M893-E897 VanDerWaalsContact O-CA 3.3Å; M893-E897 WeakPolarHBondContact O-CA 3.44Å; M893-E897 WeakPolarHBondContact O-CB 3.39Å; M893-E897 PolarHBondContact O-N 2.86Å; E897-R899 PolarHBondContact O-N 3.3Å; E897-R899 VanDerWaalsContact O-N 3.17Å; E897-I900 PolarHBondContact O-N 3.31Å; E897-I900 VanDerWaalsContact O-N 3.15Å; E897-I901 HydrophobicContact CG-CD1 3.99Å; E897-I901 WeakPolarHBondContact O-CG1 3.37Å; E897-I901 PolarHBondContact O-N 3.18Å; E897-L1028 WeakPolarHBondContact OE1-CD2 3.49Å |
| 898 | N | 45.6 | Very low | 47.1 | Very low | 132 Ų | 132 | 69 Ų | 69 | 71% | 0.706 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -56.9 | -34.8 | 179 | -70.6 | -45.7 | 0 | 0 | 0 | 112.5 | S896 E902 | S896-N898 PolarHBondContact O-N 2.84Å; N898-E902 WeakPolarHBondContact O-CB 3.45Å; N898-E902 WeakPolarHBondContact O-CG 3.29Å; N898-E902 PolarHBondContact O-N 3.37Å |
| 899 | R | 49.7 | Very low | 46.6 | Very low | 143 Ų | 143 | 71.6 Ų | 71.6 | 54% | 0.54 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -76.2 | -36 | -178.5 | -163 | 59.6 | 163.8 | -168.2 | -3.8 | 112.1 | S896 E897 E902 L903 V929 | S896-R899 WeakPolarHBondContact O-CA 3.46Å; S896-R899 WeakPolarHBondContact O-CB 3.49Å; S896-R899 PolarHBondContact O-N 3.26Å; E897-R899 PolarHBondContact O-N 3.3Å; E897-R899 VanDerWaalsContact O-N 3.17Å; R899-E902 VanDerWaalsContact CD-OE2 3.29Å; R899-E902 WeakPolarHBondContact CD-OE2 3.41Å; R899-E902 IonicContact CZ-OE2 3.21Å; R899-E902 IonicContact NE-OE2 3.54Å; R899-E902 IonicContact NH1-OE2 3.22Å; R899-E902 PolarHBondContact NH1-OE2 3.39Å; R899-L903 HydrophobicContact CG-CD1 4.26Å; R899-L903 VanDerWaalsContact O-CB 3.3Å; R899-L903 WeakPolarHBondContact O-CB 3.48Å; R899-L903 WeakPolarHBondContact O-CD1 3.3Å; R899-L903 WeakPolarHBondContact O-CG 3.34Å; R899-L903 PolarHBondContact O-N 3.2Å; R899-V929 HydrophobicContact CG-CG2 4.35Å |
| 900 | I | 47.5 | Very low | 46.4 | Very low | 29 Ų | 29 | 74 Ų | 74 | 15% | 0.149 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -68 | -41.8 | 173.8 | -67.1 | 168.4 | 0 | 0 | 0 | 109.5 | S896 E897 L903 W904 M926 | S896-I900 WeakPolarHBondContact O-CG1 3.47Å; S896-I900 PolarHBondContact O-N 3Å; E897-I900 PolarHBondContact O-N 3.31Å; E897-I900 VanDerWaalsContact O-N 3.15Å; I900-L903 PolarHBondContact O-N 3.47Å; I900-W904 WeakPolarHBondContact O-CB 3.3Å; I900-W904 PolarHBondContact O-N 3.31Å; I900-M926 HydrophobicContact CG2-CG 4.24Å; I900-M926 HydrophobicContact CG2-SD 4.5Å |
| 901 | I | 46.3 | Very low | 46.1 | Very low | 66 Ų | 66 | 72.6 Ų | 72.6 | 34% | 0.338 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.3 | -46.1 | 175.3 | -65.7 | 168.6 | 0 | 0 | 0 | 111.3 | E897 L903 W904 L905 | E897-I901 HydrophobicContact CG-CD1 3.99Å; E897-I901 WeakPolarHBondContact O-CG1 3.37Å; E897-I901 PolarHBondContact O-N 3.18Å; I901-L903 VanDerWaalsContact C-N 3.3Å; I901-L903 PolarHBondContact O-N 3.15Å; I901-W904 PolarHBondContact O-N 3Å; I901-L905 HydrophobicContact CG2-CD1 3.76Å; I901-L905 HydrophobicContact CG2-CG 4.26Å; I901-L905 WeakPolarHBondContact O-CB 3.15Å; I901-L905 VanDerWaalsContact O-CG 3.3Å; I901-L905 WeakPolarHBondContact O-CG 3.36Å; I901-L905 PolarHBondContact O-N 3.1Å |
| 902 | E | 48.3 | Very low | 45.5 | Very low | 108 Ų | 108 | 76.6 Ų | 76.6 | 51% | 0.505 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -56.1 | -42.8 | 171.5 | -82.8 | -171.1 | 141.2 | 0 | 0 | 112.2 | N898 R899 S906 | N898-E902 WeakPolarHBondContact O-CB 3.45Å; N898-E902 WeakPolarHBondContact O-CG 3.29Å; N898-E902 PolarHBondContact O-N 3.37Å; R899-E902 VanDerWaalsContact CD-OE2 3.29Å; R899-E902 WeakPolarHBondContact CD-OE2 3.41Å; R899-E902 IonicContact CZ-OE2 3.21Å; R899-E902 IonicContact NE-OE2 3.54Å; R899-E902 IonicContact NH1-OE2 3.22Å; R899-E902 PolarHBondContact NH1-OE2 3.39Å; E902-S906 VanDerWaalsContact O-CB 3.23Å; E902-S906 WeakPolarHBondContact O-CB 3.25Å; E902-S906 PolarHBondContact O-N 3.28Å; E902-S906 PolarHBondContact O-OG 2.94Å |
| 903 | L | 49.6 | Very low | 45.1 | Very low | 32 Ų | 32 | 76.8 Ų | 76.8 | 17% | 0.168 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -71.4 | -34.8 | -178.7 | -74.4 | 168.3 | 0 | 0 | 0 | 112.4 | R899 I900 I901 S906 S907 K925 V929 | R899-L903 HydrophobicContact CG-CD1 4.26Å; R899-L903 VanDerWaalsContact O-CB 3.3Å; R899-L903 WeakPolarHBondContact O-CB 3.48Å; R899-L903 WeakPolarHBondContact O-CD1 3.3Å; R899-L903 WeakPolarHBondContact O-CG 3.34Å; R899-L903 PolarHBondContact O-N 3.2Å; I900-L903 PolarHBondContact O-N 3.47Å; I901-L903 VanDerWaalsContact C-N 3.3Å; I901-L903 PolarHBondContact O-N 3.15Å; L903-S906 WeakPolarHBondContact CA-OG 3.17Å; L903-S906 PolarHBondContact O-OG 3.35Å; L903-S907 WeakPolarHBondContact O-CB 3.36Å; L903-S907 PolarHBondContact O-N 3.49Å; L903-S907 PolarHBondContact O-OG 3.11Å; L903-K925 HydrophobicContact CB-CB 4.16Å; L903-K925 HydrophobicContact CB-CD 4.13Å; L903-K925 HydrophobicContact CD1-CB 4.36Å; L903-K925 HydrophobicContact CD2-CB 4.25Å; L903-K925 HydrophobicContact CD2-CD 3.85Å; L903-K925 HydrophobicContact CD2-CG 4.12Å; L903-K925 HydrophobicContact CG-CB 4.49Å; L903-K925 PolarHBondContact O-NZ 2.95Å; L903-V929 HydrophobicContact CD1-CG2 3.34Å |
| 904 | W | 44.8 | Very low | 45.1 | Very low | 108 Ų | 108 | 74.8 Ų | 74.8 | 41% | 0.409 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.6 | -53.4 | 172.9 | -173.1 | 62.3 | 0 | 0 | 0 | 111.1 | L836 I900 I901 S906 S907 I908 L922 | L836-W904 HydrophobicContact CD2-CH2 4.26Å; L836-W904 HydrophobicContact CD2-CZ2 4.38Å; I900-W904 WeakPolarHBondContact O-CB 3.3Å; I900-W904 PolarHBondContact O-N 3.31Å; I901-W904 PolarHBondContact O-N 3Å; W904-S906 VanDerWaalsContact C-N 3.32Å; W904-S906 PolarHBondContact O-N 2.86Å; W904-S907 WeakPolarHBondContact CA-OG 3.47Å; W904-S907 WeakPolarHBondContact O-CA 3.15Å; W904-S907 PolarHBondContact O-N 3.44Å; W904-S907 PolarHBondContact O-OG 2.89Å; W904-I908 HydrophobicContact CD2-CD1 3.71Å; W904-I908 HydrophobicContact CE3-CD1 4.02Å; W904-I908 HydrophobicContact CG-CD1 4.25Å; W904-I908 HydrophobicContact CH2-CD1 4.04Å; W904-I908 HydrophobicContact CZ2-CD1 3.73Å; W904-I908 HydrophobicContact CZ3-CD1 4.17Å; W904-I908 WeakPolarHBondContact O-CG1 3.46Å; W904-I908 PolarHBondContact O-N 3.48Å; W904-L922 HydrophobicContact CB-CD1 3.93Å; W904-L922 HydrophobicContact CG-CD1 4.18Å |
| 905 | L | 45.7 | Very low | 44.6 | Very low | 88 Ų | 88 | 71 Ų | 71 | 46% | 0.461 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.8 | -41.1 | 176.5 | -69.3 | 172.8 | 0 | 0 | 0 | 112.1 | I901 I908 Q909 | I901-L905 HydrophobicContact CG2-CD1 3.76Å; I901-L905 HydrophobicContact CG2-CG 4.26Å; I901-L905 WeakPolarHBondContact O-CB 3.15Å; I901-L905 VanDerWaalsContact O-CG 3.3Å; I901-L905 WeakPolarHBondContact O-CG 3.36Å; I901-L905 PolarHBondContact O-N 3.1Å; L905-I908 PolarHBondContact O-N 2.77Å; L905-Q909 WeakPolarHBondContact O-CG 3.42Å; L905-Q909 PolarHBondContact O-N 2.95Å |
| 906 | S | 46.7 | Very low | 44.2 | Very low | 35 Ų | 35 | 69 Ų | 69 | 25% | 0.245 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -69.4 | -30.4 | 174 | 65.3 | 0 | 0 | 0 | 0 | 113.1 | E902 L903 W904 T910 K925 | E902-S906 VanDerWaalsContact O-CB 3.23Å; E902-S906 WeakPolarHBondContact O-CB 3.25Å; E902-S906 PolarHBondContact O-N 3.28Å; E902-S906 PolarHBondContact O-OG 2.94Å; L903-S906 WeakPolarHBondContact CA-OG 3.17Å; L903-S906 PolarHBondContact O-OG 3.35Å; W904-S906 VanDerWaalsContact C-N 3.32Å; W904-S906 PolarHBondContact O-N 2.86Å; S906-T910 WeakPolarHBondContact O-CG2 3.48Å; S906-T910 PolarHBondContact O-N 2.84Å; S906-T910 PolarHBondContact O-OG1 3.19Å; S906-K925 PolarHBondContact OG-NZ 3.28Å |
| 907 | S | 45.1 | Very low | 44.1 | Very low | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.014 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -69.1 | -37.9 | 173.3 | 67.7 | 0 | 0 | 0 | 0 | 112.1 | L903 W904 T910 G911 | L903-S907 WeakPolarHBondContact O-CB 3.36Å; L903-S907 PolarHBondContact O-N 3.49Å; L903-S907 PolarHBondContact O-OG 3.11Å; W904-S907 WeakPolarHBondContact CA-OG 3.47Å; W904-S907 WeakPolarHBondContact O-CA 3.15Å; W904-S907 PolarHBondContact O-N 3.44Å; W904-S907 PolarHBondContact O-OG 2.89Å; S907-T910 WeakPolarHBondContact CA-OG1 3.35Å; S907-T910 PolarHBondContact O-N 3.49Å; S907-T910 PolarHBondContact O-OG1 2.98Å; S907-G911 PolarHBondContact O-N 2.88Å; S907-G911 VanDerWaalsContact O-N 3.12Å |
| 908 | I | 42.9 | Very low | 44.4 | Very low | 13 Ų | 13 | 67.2 Ų | 67.2 | 7% | 0.067 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.1 | -47.8 | 173.4 | -73.2 | 168.4 | 0 | 0 | 0 | 110.8 | F832 L836 W904 L905 T910 G911 | F832-I908 HydrophobicContact CE1-CG2 4.19Å; L836-I908 HydrophobicContact CD1-CG2 4.27Å; L836-I908 HydrophobicContact CD2-CD1 4.31Å; W904-I908 HydrophobicContact CD2-CD1 3.71Å; W904-I908 HydrophobicContact CE3-CD1 4.02Å; W904-I908 HydrophobicContact CG-CD1 4.25Å; W904-I908 HydrophobicContact CH2-CD1 4.04Å; W904-I908 HydrophobicContact CZ2-CD1 3.73Å; W904-I908 HydrophobicContact CZ3-CD1 4.17Å; W904-I908 WeakPolarHBondContact O-CG1 3.46Å; W904-I908 PolarHBondContact O-N 3.48Å; L905-I908 PolarHBondContact O-N 2.77Å; I908-T910 PolarHBondContact O-N 2.99Å; I908-G911 PolarHBondContact O-N 3.47Å |
| 909 | Q | 40.4 | Very low | 44.3 | Very low | 148 Ų | 148 | 62.5 Ų | 62.5 | 69% | 0.692 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61.2 | -26.2 | 175.6 | -78.5 | -178.4 | -31 | 0 | 0 | 113.8 | L905 | L905-Q909 WeakPolarHBondContact O-CG 3.42Å; L905-Q909 PolarHBondContact O-N 2.95Å |
| 910 | T | 41.8 | Very low | 44.2 | Very low | 100 Ų | 100 | 61.8 Ų | 61.8 | 61% | 0.613 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -5.4 | 174.2 | 55 | 0 | 0 | 0 | 0 | 114.4 | S906 S907 I908 | S906-T910 WeakPolarHBondContact O-CG2 3.48Å; S906-T910 PolarHBondContact O-N 2.84Å; S906-T910 PolarHBondContact O-OG1 3.19Å; S907-T910 WeakPolarHBondContact CA-OG1 3.35Å; S907-T910 PolarHBondContact O-N 3.49Å; S907-T910 PolarHBondContact O-OG1 2.98Å; I908-T910 PolarHBondContact O-N 2.99Å |
| 911 | G | 41.5 | Very low | 44.3 | Very low | 11 Ų | 11 | 62.6 Ų | 62.6 | 11% | 0.113 | 33% | 0.332 | C | S | . | . | trans | -107.4 | 90.1 | -167.2 | 0 | 0 | 0 | 0 | 0 | 114 | S907 I908 T913 | S907-G911 PolarHBondContact O-N 2.88Å; S907-G911 VanDerWaalsContact O-N 3.12Å; I908-G911 PolarHBondContact O-N 3.47Å; G911-T913 PolarHBondContact O-N 3.45Å | ||
| 912 | I | 38.6 | Very low | 44.4 | Very low | 112 Ų | 112 | 60.4 Ų | 60.4 | 57% | 0.574 | 32% | 0.32 | S | S | * | . | trans | -82.1 | 3.3 | 164.2 | -61.6 | 161.8 | 0 | 0 | 0 | 110.7 | Y666 F829 | Y666-I912 HydrophobicContact CD2-CG2 4.37Å; Y666-I912 HydrophobicContact CE2-CB 4.39Å; Y666-I912 HydrophobicContact CE2-CG2 3.88Å; F829-I912 HydrophobicContact CE2-CB 4.41Å; F829-I912 HydrophobicContact CE2-CG1 3.66Å; F829-I912 HydrophobicContact CZ-CG1 4.25Å | ||
| 913 | T | 41.7 | Very low | 44.5 | Very low | 31 Ų | 31 | 56.1 Ų | 56.1 | 19% | 0.19 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -116.3 | 141.6 | -174.6 | 48.9 | 0 | 0 | 0 | 0 | 112.4 | Y666 S699 G911 | Y666-T913 HydrophobicContact CE1-CG2 4.32Å; Y666-T913 HydrophobicContact CE2-CG2 4.42Å; Y666-T913 WeakPolarHBondContact OH-CG2 3.49Å; S699-T913 VanDerWaalsContact O-CG2 3.23Å; S699-T913 WeakPolarHBondContact O-CG2 3.36Å; S699-T913 PolarHBondContact O-OG1 2.78Å; G911-T913 PolarHBondContact O-N 3.45Å |
| 914 | G | 43.9 | Very low | 44.7 | Very low | 44 Ų | 44 | 61.2 Ų | 61.2 | 45% | 0.454 | 33% | 0.325 | S | S | . | . | trans | -63 | 177.9 | -162.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | I916 A917 | G914-I916 VanDerWaalsContact C-N 3.26Å; G914-I916 PolarHBondContact O-N 3.32Å; G914-A917 WeakPolarHBondContact O-CB 3.27Å; G914-A917 PolarHBondContact O-N 2.68Å | ||
| 915 | P | 40.3 | Very low | 45.1 | Very low | 57 Ų | 57 | 58.4 Ų | 58.4 | 37% | 0.37 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -52.3 | -33.6 | -155.8 | 13.2 | -29.2 | 0 | 0 | 0 | 116.2 | A917 S918 E919 I955 | P915-A917 PolarHBondContact O-N 3.42Å; P915-S918 VanDerWaalsContact C-OG 3.28Å; P915-S918 WeakPolarHBondContact CA-OG 3.17Å; P915-S918 PolarHBondContact O-N 3.18Å; P915-S918 PolarHBondContact O-OG 2.88Å; P915-E919 PolarHBondContact O-N 2.79Å; P915-I955 HydrophobicContact CB-CD1 4.2Å; P915-I955 HydrophobicContact CB-CG1 4.07Å; P915-I955 HydrophobicContact CG-CD1 4.37Å; P915-I955 HydrophobicContact CG-CG1 4.09Å |
| 916 | I | 40.2 | Very low | 45.3 | Very low | 110 Ų | 110 | 55 Ų | 55 | 56% | 0.564 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -68 | -30.9 | -179.8 | -55.4 | 169.2 | 0 | 0 | 0 | 112.4 | G914 R920 I955 | G914-I916 VanDerWaalsContact C-N 3.26Å; G914-I916 PolarHBondContact O-N 3.32Å; I916-R920 PolarHBondContact O-N 2.92Å; I916-I955 HydrophobicContact CG1-CD1 4.26Å |
| 917 | A | 43.5 | Very low | 45.7 | Very low | 11 Ų | 11 | 54.8 Ų | 54.8 | 9% | 0.091 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -73.6 | -42.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | G914 P915 E919 R920 I921 | G914-A917 WeakPolarHBondContact O-CB 3.27Å; G914-A917 PolarHBondContact O-N 2.68Å; P915-A917 PolarHBondContact O-N 3.42Å; A917-E919 VanDerWaalsContact C-N 3.34Å; A917-E919 PolarHBondContact O-N 3.49Å; A917-R920 PolarHBondContact O-N 2.73Å; A917-I921 WeakPolarHBondContact O-CG1 3.44Å; A917-I921 PolarHBondContact O-N 3.17Å; A917-I921 VanDerWaalsContact O-N 3.1Å |
| 918 | S | 47.1 | Very low | 46.2 | Very low | 31 Ų | 31 | 57.8 Ų | 57.8 | 22% | 0.217 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.7 | -38.9 | 171.8 | 31.9 | 0 | 0 | 0 | 0 | 112.6 | P915 R920 I921 L922 | P915-S918 VanDerWaalsContact C-OG 3.28Å; P915-S918 WeakPolarHBondContact CA-OG 3.17Å; P915-S918 PolarHBondContact O-N 3.18Å; P915-S918 PolarHBondContact O-OG 2.88Å; S918-R920 PolarHBondContact O-N 2.66Å; S918-I921 PolarHBondContact O-N 2.65Å; S918-L922 WeakPolarHBondContact O-CB 3.22Å; S918-L922 PolarHBondContact O-N 3.08Å |
| 919 | E | 44.2 | Very low | 46.6 | Very low | 33 Ų | 33 | 58 Ų | 58 | 15% | 0.154 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -55.2 | -51.1 | 175 | -171.5 | -165.1 | 158.4 | 0 | 0 | 111.8 | P915 A917 L922 S923 V951 | P915-E919 PolarHBondContact O-N 2.79Å; A917-E919 VanDerWaalsContact C-N 3.34Å; A917-E919 PolarHBondContact O-N 3.49Å; E919-L922 PolarHBondContact O-N 3.32Å; E919-S923 WeakPolarHBondContact O-CB 3.31Å; E919-S923 PolarHBondContact O-N 3.42Å; E919-V951 HydrophobicContact CB-CG1 4.15Å; E919-V951 HydrophobicContact CG-CB 4.28Å; E919-V951 HydrophobicContact CG-CG1 4.1Å; E919-V951 HydrophobicContact CG-CG2 4.21Å |
| 920 | R | 48.5 | Very low | 47.1 | Very low | 128 Ų | 128 | 51.3 Ų | 51.3 | 48% | 0.483 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -69.4 | -40.2 | -178.6 | -79.9 | -176.7 | 166.3 | -168.2 | -3.1 | 113.2 | I916 A917 S918 L922 S923 Q924 | I916-R920 PolarHBondContact O-N 2.92Å; A917-R920 PolarHBondContact O-N 2.73Å; S918-R920 PolarHBondContact O-N 2.66Å; R920-L922 VanDerWaalsContact C-N 3.33Å; R920-S923 PolarHBondContact O-N 2.79Å; R920-Q924 WeakPolarHBondContact O-CB 3.36Å; R920-Q924 VanDerWaalsContact O-CG 3.3Å; R920-Q924 WeakPolarHBondContact O-CG 3.42Å; R920-Q924 PolarHBondContact O-N 3.02Å |
| 921 | I | 50.1 | Low | 47.7 | Very low | 47 Ų | 47 | 55 Ų | 55 | 24% | 0.241 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.7 | -39.1 | 177.5 | -65.9 | 169.3 | 0 | 0 | 0 | 110.2 | A917 S918 K925 | A917-I921 WeakPolarHBondContact O-CG1 3.44Å; A917-I921 PolarHBondContact O-N 3.17Å; A917-I921 VanDerWaalsContact O-N 3.1Å; S918-I921 PolarHBondContact O-N 2.65Å; I921-K925 HydrophobicContact CG2-CD 4.17Å; I921-K925 WeakPolarHBondContact O-CB 3.19Å; I921-K925 WeakPolarHBondContact O-CG 3.31Å; I921-K925 PolarHBondContact O-N 3.45Å |
| 922 | L | 47 | Very low | 48.3 | Very low | 20 Ų | 20 | 64.4 Ų | 64.4 | 11% | 0.105 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.5 | -50.3 | 174.4 | -177 | 61.4 | 0 | 0 | 0 | 111.5 | W904 S918 E919 R920 Q924 K925 M926 | W904-L922 HydrophobicContact CB-CD1 3.93Å; W904-L922 HydrophobicContact CG-CD1 4.18Å; S918-L922 WeakPolarHBondContact O-CB 3.22Å; S918-L922 PolarHBondContact O-N 3.08Å; E919-L922 PolarHBondContact O-N 3.32Å; R920-L922 VanDerWaalsContact C-N 3.33Å; L922-Q924 VanDerWaalsContact C-N 3.33Å; L922-Q924 PolarHBondContact O-N 3.34Å; L922-K925 PolarHBondContact O-N 3.33Å; L922-M926 HydrophobicContact CD1-CG 4.28Å; L922-M926 HydrophobicContact CD1-SD 3.97Å; L922-M926 HydrophobicContact CD2-SD 4.24Å; L922-M926 HydrophobicContact CG-SD 3.76Å; L922-M926 WeakPolarHBondContact O-CB 3.5Å; L922-M926 PolarHBondContact O-N 3.32Å |
| 923 | S | 50.5 | Low | 48.8 | Very low | 17 Ų | 17 | 62.7 Ų | 62.7 | 12% | 0.119 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.1 | -45.6 | 176.3 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | E919 R920 M926 H927 D944 | E919-S923 WeakPolarHBondContact O-CB 3.31Å; E919-S923 PolarHBondContact O-N 3.42Å; R920-S923 PolarHBondContact O-N 2.79Å; S923-M926 PolarHBondContact O-N 3.47Å; S923-H927 VanDerWaalsContact O-CB 3.27Å; S923-H927 WeakPolarHBondContact O-CB 3.38Å; S923-H927 PolarHBondContact O-N 3.33Å; S923-H927 PolarHBondContact O-ND1 3.21Å; S923-H927 PolarHBondContact OG-CE1 3.01Å; S923-H927 PolarHBondContact OG-ND1 2.91Å; S923-D944 PolarHBondContact OG-OD1 3.29Å |
| 924 | Q | 53.6 | Low | 49 | Very low | 139 Ų | 139 | 72.7 Ų | 72.7 | 65% | 0.65 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -63 | -43.3 | 175.9 | -74 | 179.4 | 0.4 | 0 | 0 | 113.2 | R920 L922 S928 | R920-Q924 WeakPolarHBondContact O-CB 3.36Å; R920-Q924 VanDerWaalsContact O-CG 3.3Å; R920-Q924 WeakPolarHBondContact O-CG 3.42Å; R920-Q924 PolarHBondContact O-N 3.02Å; L922-Q924 VanDerWaalsContact C-N 3.33Å; L922-Q924 PolarHBondContact O-N 3.34Å; Q924-S928 PolarHBondContact O-N 3.27Å; Q924-S928 VanDerWaalsContact O-N 3.08Å |
| 925 | K | 53.1 | Low | 49.3 | Very low | 49 Ų | 49 | 72.3 Ų | 72.3 | 21% | 0.213 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.3 | -43.7 | 177.2 | -78 | 178.6 | 172.8 | -175.1 | 0 | 111.8 | L903 S906 I921 L922 S928 V929 | L903-K925 HydrophobicContact CB-CB 4.16Å; L903-K925 HydrophobicContact CB-CD 4.13Å; L903-K925 HydrophobicContact CD1-CB 4.36Å; L903-K925 HydrophobicContact CD2-CB 4.25Å; L903-K925 HydrophobicContact CD2-CD 3.85Å; L903-K925 HydrophobicContact CD2-CG 4.12Å; L903-K925 HydrophobicContact CG-CB 4.49Å; L903-K925 PolarHBondContact O-NZ 2.95Å; S906-K925 PolarHBondContact OG-NZ 3.28Å; I921-K925 HydrophobicContact CG2-CD 4.17Å; I921-K925 WeakPolarHBondContact O-CB 3.19Å; I921-K925 WeakPolarHBondContact O-CG 3.31Å; I921-K925 PolarHBondContact O-N 3.45Å; L922-K925 PolarHBondContact O-N 3.33Å; K925-S928 WeakPolarHBondContact O-CB 3.15Å; K925-S928 PolarHBondContact O-N 3.07Å; K925-S928 PolarHBondContact O-OG 3.22Å; K925-V929 PolarHBondContact O-N 3.3Å |
| 926 | M | 51.2 | Low | 49.5 | Very low | 17 Ų | 17 | 75.4 Ų | 75.4 | 8% | 0.084 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.4 | -49.1 | 172.9 | -86.4 | 167.6 | 51.6 | 0 | 0 | 111.1 | I900 L922 S923 S928 V929 L930 L943 T947 | I900-M926 HydrophobicContact CG2-CG 4.24Å; I900-M926 HydrophobicContact CG2-SD 4.5Å; L922-M926 HydrophobicContact CD1-CG 4.28Å; L922-M926 HydrophobicContact CD1-SD 3.97Å; L922-M926 HydrophobicContact CD2-SD 4.24Å; L922-M926 HydrophobicContact CG-SD 3.76Å; L922-M926 WeakPolarHBondContact O-CB 3.5Å; L922-M926 PolarHBondContact O-N 3.32Å; S923-M926 PolarHBondContact O-N 3.47Å; M926-S928 PolarHBondContact O-N 3.28Å; M926-V929 PolarHBondContact O-N 3.47Å; M926-L930 HydrophobicContact CB-CD1 4.1Å; M926-L930 WeakPolarHBondContact O-CB 3.43Å; M926-L930 WeakPolarHBondContact O-CD1 3.42Å; M926-L930 VanDerWaalsContact O-CG 3.22Å; M926-L930 WeakPolarHBondContact O-CG 3.37Å; M926-L930 PolarHBondContact O-N 2.98Å; M926-L943 HydrophobicContact CE-CD2 3.79Å; M926-L943 HydrophobicContact CE-CG 4.29Å; M926-T947 HydrophobicContact CE-CG2 4.49Å |
| 927 | H | 54.6 | Low | 49.8 | Very low | 31 Ų | 31 | 73.4 Ų | 73.4 | 14% | 0.144 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -55.7 | -34.6 | 175 | -75.5 | 133.9 | 0 | 0 | 0 | 112.7 | S923 V929 R931 D944 | S923-H927 VanDerWaalsContact O-CB 3.27Å; S923-H927 WeakPolarHBondContact O-CB 3.38Å; S923-H927 PolarHBondContact O-N 3.33Å; S923-H927 PolarHBondContact O-ND1 3.21Å; S923-H927 PolarHBondContact OG-CE1 3.01Å; S923-H927 PolarHBondContact OG-ND1 2.91Å; H927-V929 PolarHBondContact O-N 3.04Å; H927-R931 VanDerWaalsContact O-CB 3.31Å; H927-R931 WeakPolarHBondContact O-CB 3.2Å; H927-R931 WeakPolarHBondContact O-CG 3.39Å; H927-R931 PolarHBondContact O-N 3.36Å; H927-D944 IonicContact CE1-OD1 3.69Å; H927-D944 PolarHBondContact CE1-OD1 3.46Å |
| 928 | S | 56.4 | Low | 49.9 | Very low | 64 Ų | 64 | 77.5 Ų | 77.5 | 45% | 0.448 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -68.1 | -30 | 175.8 | 82.8 | 0 | 0 | 0 | 0 | 114.3 | Q924 K925 M926 | Q924-S928 PolarHBondContact O-N 3.27Å; Q924-S928 VanDerWaalsContact O-N 3.08Å; K925-S928 WeakPolarHBondContact O-CB 3.15Å; K925-S928 PolarHBondContact O-N 3.07Å; K925-S928 PolarHBondContact O-OG 3.22Å; M926-S928 PolarHBondContact O-N 3.28Å |
| 929 | V | 51.2 | Low | 49.9 | Very low | 17 Ų | 17 | 78.9 Ų | 78.9 | 10% | 0.103 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -79.5 | -47.4 | 174.6 | 176.7 | 0 | 0 | 0 | 0 | 110 | R899 L903 K925 M926 H927 R931 R932 | R899-V929 HydrophobicContact CG-CG2 4.35Å; L903-V929 HydrophobicContact CD1-CG2 3.34Å; K925-V929 PolarHBondContact O-N 3.3Å; M926-V929 PolarHBondContact O-N 3.47Å; H927-V929 PolarHBondContact O-N 3.04Å; V929-R931 PolarHBondContact O-N 2.69Å; V929-R932 WeakPolarHBondContact O-CB 3.31Å; V929-R932 PolarHBondContact O-N 3.19Å; V929-R932 VanDerWaalsContact O-N 3.14Å |
| 930 | L | 49.5 | Very low | 50.3 | Low | 9 Ų | 9 | 79.4 Ų | 79.4 | 5% | 0.047 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.9 | -33.1 | -174.6 | -67.6 | 166.1 | 0 | 0 | 0 | 113.3 | I892 M926 R932 H933 I935 L943 | I892-L930 HydrophobicContact CG2-CD2 3.8Å; M926-L930 HydrophobicContact CB-CD1 4.1Å; M926-L930 WeakPolarHBondContact O-CB 3.43Å; M926-L930 WeakPolarHBondContact O-CD1 3.42Å; M926-L930 VanDerWaalsContact O-CG 3.22Å; M926-L930 WeakPolarHBondContact O-CG 3.37Å; M926-L930 PolarHBondContact O-N 2.98Å; L930-R932 PolarHBondContact O-N 2.89Å; L930-R932 VanDerWaalsContact O-N 3.15Å; L930-H933 PolarHBondContact O-N 3.07Å; L930-I935 HydrophobicContact CB-CD1 3.97Å; L930-I935 HydrophobicContact CD2-CD1 3.74Å; L930-I935 HydrophobicContact CG-CD1 4.45Å; L930-L943 HydrophobicContact CD1-CD2 3.19Å; L930-L943 HydrophobicContact CG-CD2 4.47Å |
| 931 | R | 54.9 | Low | 50.2 | Low | 178 Ų | 178 | 78.4 Ų | 78.4 | 67% | 0.672 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -59.9 | -21.6 | 172.9 | -79.2 | 175.6 | -171 | -164.2 | 4.2 | 113.5 | H927 V929 H933 M940 | H927-R931 VanDerWaalsContact O-CB 3.31Å; H927-R931 WeakPolarHBondContact O-CB 3.2Å; H927-R931 WeakPolarHBondContact O-CG 3.39Å; H927-R931 PolarHBondContact O-N 3.36Å; V929-R931 PolarHBondContact O-N 2.69Å; R931-H933 VanDerWaalsContact C-N 3.25Å; R931-H933 PolarHBondContact O-N 3.21Å; R931-M940 HydrophobicContact CG-SD 4.48Å |
| 932 | R | 54 | Low | 49.9 | Very low | 208 Ų | 208 | 79.9 Ų | 79.9 | 79% | 0.785 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -71.2 | -20.8 | 175.9 | -60.7 | -178.5 | 176.7 | -167.1 | -5.8 | 113 | V929 L930 | V929-R932 WeakPolarHBondContact O-CB 3.31Å; V929-R932 PolarHBondContact O-N 3.19Å; V929-R932 VanDerWaalsContact O-N 3.14Å; L930-R932 PolarHBondContact O-N 2.89Å; L930-R932 VanDerWaalsContact O-N 3.15Å |
| 933 | H | 48.4 | Very low | 50 | Low | 76 Ų | 76 | 80 Ų | 80 | 35% | 0.352 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -96.9 | 13.9 | -174.6 | -72.1 | -63.8 | 0 | 0 | 0 | 114.4 | E895 S896 L930 R931 I935 | E895-H933 IonicContact OE2-CE1 3.76Å; S896-H933 PolarHBondContact OG-NE2 2.9Å; L930-H933 PolarHBondContact O-N 3.07Å; R931-H933 VanDerWaalsContact C-N 3.25Å; R931-H933 PolarHBondContact O-N 3.21Å; H933-I935 HydrophobicContact CB-CD1 4.05Å; H933-I935 HydrophobicContact CB-CG1 3.99Å; H933-I935 PolarHBondContact O-N 3.11Å; H933-I935 VanDerWaalsContact O-N 3.16Å |
| 934 | R | 47.6 | Very low | 49.9 | Very low | 240 Ų | 240 | 80.6 Ų | 80.6 | 91% | 0.906 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 38.9 | 179.9 | -66.1 | -169.9 | 175.2 | -159.4 | -0.3 | 114.5 | ||
| 935 | I | 50 | Low | 49.6 | Very low | 37 Ų | 37 | 78.5 Ų | 78.5 | 19% | 0.19 | 36% | 0.355 | C | S | . | . | trans | -69.2 | 131.6 | 179.9 | -64.9 | 171.6 | 0 | 0 | 0 | 110 | I892 L930 H933 W939 | I892-I935 HydrophobicContact CD1-CD1 3.99Å; I892-I935 HydrophobicContact CD1-CG1 4.2Å; I892-I935 HydrophobicContact CG2-CD1 4.13Å; L930-I935 HydrophobicContact CB-CD1 3.97Å; L930-I935 HydrophobicContact CD2-CD1 3.74Å; L930-I935 HydrophobicContact CG-CD1 4.45Å; H933-I935 HydrophobicContact CB-CD1 4.05Å; H933-I935 HydrophobicContact CB-CG1 3.99Å; H933-I935 PolarHBondContact O-N 3.11Å; H933-I935 VanDerWaalsContact O-N 3.16Å; I935-W939 HydrophobicContact CG2-CB 3.46Å; I935-W939 VanDerWaalsContact CG2-CB 3.46Å; I935-W939 HydrophobicContact CG2-CG 4.25Å | ||
| 936 | R | 44.9 | Very low | 49.2 | Very low | 122 Ų | 122 | 81.3 Ų | 81.3 | 46% | 0.46 | 37% | 0.372 | S | S | . | . | trans | -65.7 | 145.4 | -178.4 | -70 | 178 | 167.2 | -148.3 | -11.6 | 111.1 | H938 W939 E1083 | R936-H938 VanDerWaalsContact C-N 3.35Å; R936-H938 PolarHBondContact O-N 3.46Å; R936-H938 VanDerWaalsContact O-N 3.14Å; R936-W939 WeakPolarHBondContact O-CB 3.32Å; R936-W939 PolarHBondContact O-N 3.09Å; R936-E1083 IonicContact CZ-OE1 2.69Å; R936-E1083 IonicContact CZ-OE2 2.62Å; R936-E1083 IonicContact NH1-OE1 3.57Å; R936-E1083 IonicContact NH1-OE2 3.72Å; R936-E1083 PolarHBondContact NH1-OE2 3.48Å; R936-E1083 IonicContact NH2-OE1 2.69Å; R936-E1083 PolarHBondContact NH2-OE1 2.81Å; R936-E1083 IonicContact NH2-OE2 2.7Å; R936-E1083 PolarHBondContact NH2-OE2 3.21Å | ||
| 937 | P | 46.5 | Very low | 49 | Very low | 67 Ų | 67 | 81.7 Ų | 81.7 | 44% | 0.435 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -53.1 | -41.9 | -170.6 | -29.5 | 35.6 | 0 | 0 | 0 | 115.4 | W939 M940 F941 | P937-W939 PolarHBondContact O-N 2.89Å; P937-M940 WeakPolarHBondContact O-CB 3.15Å; P937-M940 PolarHBondContact O-N 3.24Å; P937-F941 VanDerWaalsContact O-CD2 3.27Å; P937-F941 WeakPolarHBondContact O-CD2 3.44Å; P937-F941 PolarHBondContact O-N 3.12Å |
| 938 | H | 45.4 | Very low | 48.6 | Very low | 98 Ų | 98 | 85 Ų | 85 | 45% | 0.454 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.5 | -25.1 | 178.5 | 56.2 | -95.6 | 0 | 0 | 0 | 114 | R936 F941 T942 | R936-H938 VanDerWaalsContact C-N 3.35Å; R936-H938 PolarHBondContact O-N 3.46Å; R936-H938 VanDerWaalsContact O-N 3.14Å; H938-F941 PolarHBondContact O-N 3.44Å; H938-T942 PolarHBondContact O-N 3.16Å; H938-T942 VanDerWaalsContact O-N 3.09Å; H938-T942 PolarHBondContact O-OG1 3.31Å; H938-T942 VanDerWaalsContact O-OG1 3.12Å |
| 939 | W | 46.9 | Very low | 48 | Very low | 59 Ų | 59 | 85.3 Ų | 85.3 | 22% | 0.223 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -75.3 | -31.4 | 175.5 | -63 | 59.1 | 0 | 0 | 0 | 111.6 | R885 I888 L889 I935 R936 P937 L943 | R885-W939 HydrophobicContact CG-CH2 4.25Å; I888-W939 HydrophobicContact CB-CH2 4.47Å; I888-W939 HydrophobicContact CB-CZ3 4.22Å; I888-W939 HydrophobicContact CD1-CH2 4.13Å; I888-W939 HydrophobicContact CG2-CH2 4.3Å; I888-W939 HydrophobicContact CG2-CZ3 3.9Å; L889-W939 HydrophobicContact CD1-CE3 4.4Å; I935-W939 HydrophobicContact CG2-CB 3.46Å; I935-W939 VanDerWaalsContact CG2-CB 3.46Å; I935-W939 HydrophobicContact CG2-CG 4.25Å; R936-W939 WeakPolarHBondContact O-CB 3.32Å; R936-W939 PolarHBondContact O-N 3.09Å; P937-W939 PolarHBondContact O-N 2.89Å; W939-L943 PolarHBondContact O-N 3.12Å; W939-L943 VanDerWaalsContact O-N 3.08Å |
| 940 | M | 51.3 | Low | 47.5 | Very low | 45 Ų | 45 | 87.4 Ų | 87.4 | 22% | 0.222 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 169.9 | -85 | 172.6 | 36.2 | 0 | 0 | 110.8 | R931 P937 L943 D944 | R931-M940 HydrophobicContact CG-SD 4.48Å; P937-M940 WeakPolarHBondContact O-CB 3.15Å; P937-M940 PolarHBondContact O-N 3.24Å; M940-L943 PolarHBondContact O-N 3.08Å; M940-D944 VanDerWaalsContact O-CB 3.31Å; M940-D944 WeakPolarHBondContact O-CB 3.16Å; M940-D944 PolarHBondContact O-N 2.89Å |
| 941 | F | 46.2 | Very low | 47.3 | Very low | 106 Ų | 106 | 88.1 Ų | 88.1 | 47% | 0.465 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 175.9 | -72.6 | -73.3 | 0 | 0 | 0 | 113.2 | P937 H938 L943 D944 N945 | P937-F941 VanDerWaalsContact O-CD2 3.27Å; P937-F941 WeakPolarHBondContact O-CD2 3.44Å; P937-F941 PolarHBondContact O-N 3.12Å; H938-F941 PolarHBondContact O-N 3.44Å; F941-L943 VanDerWaalsContact C-N 3.31Å; F941-L943 PolarHBondContact O-N 3.34Å; F941-D944 PolarHBondContact O-N 2.92Å; F941-N945 WeakPolarHBondContact O-CB 3.26Å; F941-N945 PolarHBondContact O-N 2.94Å |
| 942 | T | 45.4 | Very low | 46.8 | Very low | 79 Ų | 79 | 83.9 Ų | 83.9 | 49% | 0.485 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.5 | -44.3 | 173.3 | -52.3 | 0 | 0 | 0 | 0 | 111.1 | H938 L946 | H938-T942 PolarHBondContact O-N 3.16Å; H938-T942 VanDerWaalsContact O-N 3.09Å; H938-T942 PolarHBondContact O-OG1 3.31Å; H938-T942 VanDerWaalsContact O-OG1 3.12Å; T942-L946 WeakPolarHBondContact O-CB 3.38Å; T942-L946 PolarHBondContact O-N 2.91Å |
| 943 | L | 48.2 | Very low | 46.1 | Very low | 21 Ų | 21 | 77 Ų | 77 | 11% | 0.11 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -68.8 | -42.2 | 179.8 | -162.7 | 79.2 | 0 | 0 | 0 | 112.6 | L889 M893 M926 L930 W939 M940 F941 N945 L946 T947 | L889-L943 HydrophobicContact CD2-CD1 3.87Å; M893-L943 HydrophobicContact CE-CD1 4.14Å; M926-L943 HydrophobicContact CE-CD2 3.79Å; M926-L943 HydrophobicContact CE-CG 4.29Å; L930-L943 HydrophobicContact CD1-CD2 3.19Å; L930-L943 HydrophobicContact CG-CD2 4.47Å; W939-L943 PolarHBondContact O-N 3.12Å; W939-L943 VanDerWaalsContact O-N 3.08Å; M940-L943 PolarHBondContact O-N 3.08Å; F941-L943 VanDerWaalsContact C-N 3.31Å; F941-L943 PolarHBondContact O-N 3.34Å; L943-N945 VanDerWaalsContact C-N 3.33Å; L943-N945 PolarHBondContact O-N 3.15Å; L943-L946 PolarHBondContact O-N 3.17Å; L943-T947 WeakPolarHBondContact O-CB 3.49Å; L943-T947 PolarHBondContact O-N 3.01Å; L943-T947 PolarHBondContact O-OG1 3.08Å |
| 944 | D | 48.7 | Very low | 45.7 | Very low | 30 Ų | 30 | 75.6 Ų | 75.6 | 16% | 0.16 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.3 | -36.2 | 179.1 | -163.4 | 66.3 | 0 | 0 | 0 | 110.9 | S923 H927 M940 F941 R948 | S923-D944 PolarHBondContact OG-OD1 3.29Å; H927-D944 IonicContact CE1-OD1 3.69Å; H927-D944 PolarHBondContact CE1-OD1 3.46Å; M940-D944 VanDerWaalsContact O-CB 3.31Å; M940-D944 WeakPolarHBondContact O-CB 3.16Å; M940-D944 PolarHBondContact O-N 2.89Å; F941-D944 PolarHBondContact O-N 2.92Å; D944-R948 WeakPolarHBondContact O-CB 3.47Å; D944-R948 PolarHBondContact O-N 3.35Å; D944-R948 IonicContact OD2-CZ 2.82Å; D944-R948 IonicContact OD2-NH1 3.55Å; D944-R948 PolarHBondContact OD2-NH1 2.84Å; D944-R948 IonicContact OD2-NH2 2.76Å; D944-R948 PolarHBondContact OD2-NH2 3.33Å |
| 945 | N | 47.7 | Very low | 45.3 | Very low | 95 Ų | 95 | 65.6 Ų | 65.6 | 51% | 0.508 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68.8 | -38.2 | 169.2 | -86.8 | -17.6 | 0 | 0 | 0 | 113.5 | F941 L943 R948 S949 | F941-N945 WeakPolarHBondContact O-CB 3.26Å; F941-N945 PolarHBondContact O-N 2.94Å; L943-N945 VanDerWaalsContact C-N 3.33Å; L943-N945 PolarHBondContact O-N 3.15Å; N945-R948 PolarHBondContact OD1-NH1 3.05Å; N945-S949 WeakPolarHBondContact O-CB 3.28Å; N945-S949 PolarHBondContact O-N 3.34Å |
| 946 | L | 44.8 | Very low | 44.9 | Very low | 108 Ų | 108 | 69.3 Ų | 69.3 | 57% | 0.565 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65.3 | -43.8 | 176 | -131.6 | 127.8 | 0 | 0 | 0 | 110.7 | T942 L943 S949 S950 | T942-L946 WeakPolarHBondContact O-CB 3.38Å; T942-L946 PolarHBondContact O-N 2.91Å; L943-L946 PolarHBondContact O-N 3.17Å; L946-S949 PolarHBondContact O-N 3.03Å; L946-S950 WeakPolarHBondContact O-CB 3.33Å; L946-S950 PolarHBondContact O-N 2.93Å; L946-S950 PolarHBondContact O-OG 2.69Å |
| 947 | T | 47.5 | Very low | 44.6 | Very low | 25 Ų | 25 | 66.5 Ų | 66.5 | 15% | 0.153 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.4 | -46.9 | 177.3 | -45.7 | 0 | 0 | 0 | 0 | 110.7 | M926 L943 S950 V951 | M926-T947 HydrophobicContact CE-CG2 4.49Å; L943-T947 WeakPolarHBondContact O-CB 3.49Å; L943-T947 PolarHBondContact O-N 3.01Å; L943-T947 PolarHBondContact O-OG1 3.08Å; T947-S950 PolarHBondContact O-N 3.45Å; T947-V951 WeakPolarHBondContact O-CB 3.1Å; T947-V951 WeakPolarHBondContact O-CG2 3.36Å; T947-V951 PolarHBondContact O-N 3.43Å |
| 948 | R | 46 | Very low | 44 | Very low | 100 Ų | 100 | 66.4 Ų | 66.4 | 38% | 0.377 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.6 | -46.6 | 174.6 | 179 | 179.2 | -63.4 | 112.2 | 15.2 | 112.4 | D944 N945 V951 Q952 | D944-R948 WeakPolarHBondContact O-CB 3.47Å; D944-R948 PolarHBondContact O-N 3.35Å; D944-R948 IonicContact OD2-CZ 2.82Å; D944-R948 IonicContact OD2-NH1 3.55Å; D944-R948 PolarHBondContact OD2-NH1 2.84Å; D944-R948 IonicContact OD2-NH2 2.76Å; D944-R948 PolarHBondContact OD2-NH2 3.33Å; N945-R948 PolarHBondContact OD1-NH1 3.05Å; R948-V951 PolarHBondContact O-N 3.04Å; R948-Q952 WeakPolarHBondContact O-CB 3.34Å; R948-Q952 PolarHBondContact O-N 3.44Å |
| 949 | S | 43.7 | Very low | 43.4 | Very low | 71 Ų | 71 | 67.6 Ų | 67.6 | 50% | 0.497 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.9 | -44 | 179.4 | -168.7 | 0 | 0 | 0 | 0 | 111.4 | N945 L946 V951 Q952 S953 | N945-S949 WeakPolarHBondContact O-CB 3.28Å; N945-S949 PolarHBondContact O-N 3.34Å; L946-S949 PolarHBondContact O-N 3.03Å; S949-V951 PolarHBondContact O-N 3.15Å; S949-Q952 PolarHBondContact O-N 3.06Å; S949-S953 PolarHBondContact O-N 2.88Å; S949-S953 PolarHBondContact O-OG 3.4Å; S949-S953 VanDerWaalsContact O-OG 3.06Å |
| 950 | S | 41 | Very low | 42.7 | Very low | 61 Ų | 61 | 70.4 Ų | 70.4 | 43% | 0.427 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 174.4 | -60.4 | 0 | 0 | 0 | 0 | 112.6 | L946 T947 I954 | L946-S950 WeakPolarHBondContact O-CB 3.33Å; L946-S950 PolarHBondContact O-N 2.93Å; L946-S950 PolarHBondContact O-OG 2.69Å; T947-S950 PolarHBondContact O-N 3.45Å; S950-I954 WeakPolarHBondContact O-CB 3.5Å; S950-I954 WeakPolarHBondContact O-CD1 3.41Å; S950-I954 WeakPolarHBondContact O-CG1 3.4Å; S950-I954 PolarHBondContact O-N 2.85Å |
| 951 | V | 44.6 | Very low | 41.6 | Very low | 25 Ų | 25 | 76.8 Ų | 76.8 | 15% | 0.152 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -67.5 | -37.7 | 176.7 | 170.9 | 0 | 0 | 0 | 0 | 111.7 | E919 T947 R948 S949 I954 I955 | E919-V951 HydrophobicContact CB-CG1 4.15Å; E919-V951 HydrophobicContact CG-CB 4.28Å; E919-V951 HydrophobicContact CG-CG1 4.1Å; E919-V951 HydrophobicContact CG-CG2 4.21Å; T947-V951 WeakPolarHBondContact O-CB 3.1Å; T947-V951 WeakPolarHBondContact O-CG2 3.36Å; T947-V951 PolarHBondContact O-N 3.43Å; R948-V951 PolarHBondContact O-N 3.04Å; S949-V951 PolarHBondContact O-N 3.15Å; V951-I954 WeakPolarHBondContact O-CB 3.5Å; V951-I954 PolarHBondContact O-N 3.14Å; V951-I955 HydrophobicContact CG1-CD1 3.88Å; V951-I955 HydrophobicContact CG1-CG1 4.47Å; V951-I955 VanDerWaalsContact O-CG1 3.3Å; V951-I955 WeakPolarHBondContact O-CG1 3.31Å; V951-I955 PolarHBondContact O-N 3.2Å |
| 952 | Q | 43.4 | Very low | 40.8 | Very low | 88 Ų | 88 | 77.7 Ų | 77.7 | 41% | 0.411 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.2 | -45.7 | 176 | -177 | 63.8 | 27.6 | 0 | 0 | 111.4 | R948 S949 I954 I955 E956 | R948-Q952 WeakPolarHBondContact O-CB 3.34Å; R948-Q952 PolarHBondContact O-N 3.44Å; S949-Q952 PolarHBondContact O-N 3.06Å; Q952-I954 VanDerWaalsContact C-N 3.25Å; Q952-I954 PolarHBondContact O-N 2.84Å; Q952-I955 PolarHBondContact O-N 2.93Å; Q952-I955 VanDerWaalsContact O-N 3.1Å; Q952-E956 WeakPolarHBondContact CG-OE1 3.37Å; Q952-E956 PolarHBondContact NE2-OE1 2.84Å; Q952-E956 WeakPolarHBondContact O-CG 3.24Å; Q952-E956 PolarHBondContact O-N 3.49Å |
| 953 | S | 41.1 | Very low | 40 | Very low | 64 Ų | 64 | 85 Ų | 85 | 45% | 0.448 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.4 | -33.6 | 173.5 | -59.1 | 0 | 0 | 0 | 0 | 112.6 | S949 A957 | S949-S953 PolarHBondContact O-N 2.88Å; S949-S953 PolarHBondContact O-OG 3.4Å; S949-S953 VanDerWaalsContact O-OG 3.06Å; S953-A957 WeakPolarHBondContact O-CB 3.45Å; S953-A957 PolarHBondContact O-N 3.46Å |
| 954 | I | 38.4 | Very low | 39 | Very low | 47 Ų | 47 | 90.2 Ų | 90.2 | 24% | 0.241 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -67 | -44.2 | 172.5 | -73.2 | 165.7 | 0 | 0 | 0 | 110.8 | L839 S950 V951 Q952 A957 I958 | L839-I954 HydrophobicContact CD1-CG2 4.01Å; L839-I954 HydrophobicContact CD2-CB 4.21Å; L839-I954 HydrophobicContact CD2-CD1 3.87Å; L839-I954 HydrophobicContact CD2-CG1 3.62Å; L839-I954 HydrophobicContact CD2-CG2 3.65Å; L839-I954 HydrophobicContact CG-CG2 4.45Å; S950-I954 WeakPolarHBondContact O-CB 3.5Å; S950-I954 WeakPolarHBondContact O-CD1 3.41Å; S950-I954 WeakPolarHBondContact O-CG1 3.4Å; S950-I954 PolarHBondContact O-N 2.85Å; V951-I954 WeakPolarHBondContact O-CB 3.5Å; V951-I954 PolarHBondContact O-N 3.14Å; Q952-I954 VanDerWaalsContact C-N 3.25Å; Q952-I954 PolarHBondContact O-N 2.84Å; I954-A957 PolarHBondContact O-N 3.26Å; I954-I958 HydrophobicContact CG2-CD1 3.68Å; I954-I958 VanDerWaalsContact O-CD1 3.25Å; I954-I958 WeakPolarHBondContact O-CD1 3.44Å; I954-I958 WeakPolarHBondContact O-CG1 3.5Å; I954-I958 PolarHBondContact O-N 3.08Å; I954-I958 VanDerWaalsContact O-N 3.11Å |
| 955 | I | 40.5 | Very low | 38 | Very low | 30 Ų | 30 | 97.1 Ų | 97.1 | 15% | 0.154 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 176.8 | -70.3 | 165.3 | 0 | 0 | 0 | 111.3 | P915 I916 V951 Q952 I958 L959 | P915-I955 HydrophobicContact CB-CD1 4.2Å; P915-I955 HydrophobicContact CB-CG1 4.07Å; P915-I955 HydrophobicContact CG-CD1 4.37Å; P915-I955 HydrophobicContact CG-CG1 4.09Å; I916-I955 HydrophobicContact CG1-CD1 4.26Å; V951-I955 HydrophobicContact CG1-CD1 3.88Å; V951-I955 HydrophobicContact CG1-CG1 4.47Å; V951-I955 VanDerWaalsContact O-CG1 3.3Å; V951-I955 WeakPolarHBondContact O-CG1 3.31Å; V951-I955 PolarHBondContact O-N 3.2Å; Q952-I955 PolarHBondContact O-N 2.93Å; Q952-I955 VanDerWaalsContact O-N 3.1Å; I955-I958 PolarHBondContact O-N 3.46Å; I955-I958 VanDerWaalsContact O-N 3.15Å; I955-L959 HydrophobicContact CG2-CD1 4.41Å; I955-L959 PolarHBondContact O-N 3.06Å |
| 956 | E | 40.6 | Very low | 37.1 | Very low | 114 Ų | 114 | 97.5 Ų | 97.5 | 53% | 0.533 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.6 | -34.2 | 176.3 | -73.4 | 166 | -170 | 0 | 0 | 112.2 | Q952 I958 | Q952-E956 WeakPolarHBondContact CG-OE1 3.37Å; Q952-E956 PolarHBondContact NE2-OE1 2.84Å; Q952-E956 WeakPolarHBondContact O-CG 3.24Å; Q952-E956 PolarHBondContact O-N 3.49Å; E956-I958 VanDerWaalsContact C-N 3.3Å; E956-I958 PolarHBondContact O-N 2.96Å |
| 957 | A | 38.2 | Very low | 36.3 | Very low | 63 Ų | 63 | 97.4 Ų | 97.4 | 52% | 0.521 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -70.4 | -23.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S953 I954 | S953-A957 WeakPolarHBondContact O-CB 3.45Å; S953-A957 PolarHBondContact O-N 3.46Å; I954-A957 PolarHBondContact O-N 3.26Å |
| 958 | I | 34.7 | Very low | 35.5 | Very low | 66 Ų | 66 | 101.8 Ų | 101.8 | 34% | 0.338 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -84.9 | -20.9 | 179.1 | -68.4 | 160.8 | 0 | 0 | 0 | 112 | L835 I954 I955 E956 | L835-I958 HydrophobicContact CD1-CG1 4.38Å; L835-I958 HydrophobicContact CD2-CD1 3.81Å; L835-I958 HydrophobicContact CD2-CG1 4.14Å; I954-I958 HydrophobicContact CG2-CD1 3.68Å; I954-I958 VanDerWaalsContact O-CD1 3.25Å; I954-I958 WeakPolarHBondContact O-CD1 3.44Å; I954-I958 WeakPolarHBondContact O-CG1 3.5Å; I954-I958 PolarHBondContact O-N 3.08Å; I954-I958 VanDerWaalsContact O-N 3.11Å; I955-I958 PolarHBondContact O-N 3.46Å; I955-I958 VanDerWaalsContact O-N 3.15Å; E956-I958 VanDerWaalsContact C-N 3.3Å; E956-I958 PolarHBondContact O-N 2.96Å |
| 959 | L | 31.8 | Very low | 34.7 | Very low | 123 Ų | 123 | 104 Ų | 104 | 64% | 0.644 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -127.4 | 87.9 | -175.3 | -72.2 | 168.6 | 0 | 0 | 0 | 111.7 | I955 E961 | I955-L959 HydrophobicContact CG2-CD1 4.41Å; I955-L959 PolarHBondContact O-N 3.06Å; L959-E961 PolarHBondContact O-N 3.09Å |
| 960 | P | 32.2 | Very low | 34.2 | Very low | 117 Ų | 117 | 108.3 Ų | 108.3 | 76% | 0.76 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 125.6 | 175.4 | 28.9 | -33.2 | 0 | 0 | 0 | 111 | ||
| 961 | E | 28.6 | Very low | 33.8 | Very low | 180 Ų | 180 | 109 Ų | 109 | 84% | 0.841 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 144.4 | 173.6 | -67.5 | -166.8 | 144.3 | 0 | 0 | 112.1 | L959 R963 | L959-E961 PolarHBondContact O-N 3.09Å; E961-R963 PolarHBondContact O-N 3.42Å |
| 962 | P | 30.8 | Very low | 33.1 | Very low | 124 Ų | 124 | 115 Ų | 115 | 81% | 0.805 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 127.9 | 168.9 | 30.3 | -32.4 | 0 | 0 | 0 | 109.9 | ||
| 963 | R | 26.9 | Very low | 32.7 | Very low | 234 Ų | 234 | 117.4 Ų | 117.4 | 88% | 0.883 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 142.8 | 178 | -59.2 | -177.8 | -164.7 | -178.4 | 4.9 | 111 | E961 L965 | E961-R963 PolarHBondContact O-N 3.42Å; R963-L965 PolarHBondContact O-N 3.27Å |
| 964 | P | 26.9 | Very low | 32.2 | Very low | 130 Ų | 130 | 121 Ų | 121 | 84% | 0.844 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -69 | 132.1 | 178.4 | 28.9 | -34.5 | 0 | 0 | 0 | 111 | ||
| 965 | L | 28.4 | Very low | 32 | Very low | 175 Ų | 175 | 125.9 Ų | 125.9 | 92% | 0.916 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 134.8 | 166.4 | -93.7 | 157.9 | 0 | 0 | 0 | 109.5 | R963 | R963-L965 PolarHBondContact O-N 3.27Š|
| 966 | S | 29.7 | Very low | 31.6 | Very low | 102 Ų | 102 | 128 Ų | 128 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 139.9 | -167.9 | 51.6 | 0 | 0 | 0 | 0 | 114.4 | ||
| 967 | S | 26.7 | Very low | 31.1 | Very low | 107 Ų | 107 | 129.9 Ų | 129.9 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | trans | 54.1 | 113.3 | 144 | 62.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 968 | S | 31.5 | Very low | 30.7 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | -171.7 | 115 | 110.7 | 29.5 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 969 | D | 29.9 | Very low | 30.4 | Very low | 147 Ų | 147 | 134.1 Ų | 134.1 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | trans | 32.4 | 141.7 | 142 | -61.1 | -10.9 | 0 | 0 | 0 | 126.3 | ||||
| 970 | D | 32.1 | Very low | 30.3 | Very low | 160 Ų | 160 | 139 Ų | 139 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | trans | 78.1 | 132.9 | 142.2 | -62.8 | -12.3 | 0 | 0 | 0 | 124.1 | ||||
| 971 | G | 32.1 | Very low | 30.1 | Very low | 77 Ų | 77 | 137.6 Ų | 137.6 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | 145.2 | 96 | 160.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 972 | D | 31.1 | Very low | 29.9 | Very low | 151 Ų | 151 | 134.8 Ų | 134.8 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | trans | -89.8 | 176.3 | -174.2 | -72.7 | -54.7 | 0 | 0 | 0 | 116.6 | ||||
| 973 | D | 33.6 | Very low | 29.8 | Very low | 138 Ų | 138 | 134.9 Ų | 134.9 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | 85.7 | 112.9 | 149.6 | -62.3 | -21.3 | 0 | 0 | 0 | 123.8 | ||||
| 974 | D | 32 | Very low | 29.8 | Very low | 138 Ų | 138 | 129.6 Ų | 129.6 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | 84.9 | 116.7 | 121 | -68.7 | -12.9 | 0 | 0 | 0 | 126 | |||||
| 975 | D | 34.1 | Very low | 29.7 | Very low | 150 Ų | 150 | 129.2 Ų | 129.2 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | 119.3 | 124.8 | 115.6 | -109.9 | -16.3 | 0 | 0 | 0 | 124.6 | |||||
| 976 | A | 32.6 | Very low | 29.8 | Very low | 75 Ų | 75 | 127.6 Ų | 127.6 | 62% | 0.62 | 77% | 0.773 | S | S | * | * | trans | 75.7 | 108 | 137.9 | 0 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 977 | N | 29.8 | Very low | 29.5 | Very low | 153 Ų | 153 | 125.8 Ų | 125.8 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | 70.2 | 110.1 | 129.4 | -74.3 | -25 | 0 | 0 | 0 | 123.9 | |||||
| 978 | S | 30 | Very low | 29.5 | Very low | 123 Ų | 123 | 129.7 Ų | 129.7 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | -152.1 | 149.1 | 109.5 | 79.1 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 979 | S | 27.2 | Very low | 29.2 | Very low | 96 Ų | 96 | 128.8 Ų | 128.8 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | trans | -147.2 | 132.5 | -168.9 | 41.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 980 | Y | 29.5 | Very low | 29 | Very low | 224 Ų | 224 | 130.9 Ų | 130.9 | 88% | 0.878 | 78% | 0.778 | S | S | * | * | trans | -154.9 | 85.1 | 155.4 | -110.6 | -79.5 | 0 | 0 | 0 | 110.3 | ||||
| 981 | S | 27.6 | Very low | 28.6 | Very low | 89 Ų | 89 | 133.6 Ų | 133.6 | 62% | 0.622 | 78% | 0.782 | S | S | * | * | 24.4 | 135.7 | 129.2 | 57.6 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 982 | T | 25.1 | Very low | 28.3 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | cis | -165.7 | 146.6 | 1.3 | -60.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 983 | V | 28.3 | Very low | 28 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | 166.4 | 84 | 126.3 | 166.8 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 984 | T | 27 | Very low | 27.5 | Very low | 124 Ų | 124 | 136.7 Ų | 136.7 | 76% | 0.761 | 77% | 0.773 | S | S | * | * | trans | 30.5 | 100.3 | 146.5 | 55.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 985 | S | 26.1 | Very low | 27.2 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | -116.3 | 144.2 | 129.8 | 52.1 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 986 | V | 30.1 | Very low | 27 | Very low | 142 Ų | 142 | 134.4 Ų | 134.4 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | trans | -85.9 | 140.7 | 177.8 | 178.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 987 | G | 24.1 | Very low | 26.7 | Very low | 64 Ų | 64 | 139.6 Ų | 139.6 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | trans | -59.5 | 165.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 988 | L | 26.6 | Very low | 26.8 | Very low | 189 Ų | 189 | 138.2 Ų | 138.2 | 99% | 0.99 | 78% | 0.781 | S | S | * | * | -130.4 | 163 | 66.6 | -73 | 151.4 | 0 | 0 | 0 | 113.9 | |||||
| 989 | S | 23.5 | Very low | 26.7 | Very low | 98 Ų | 98 | 135 Ų | 135 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | trans | -137.3 | 153.5 | -176.8 | 92.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 990 | K | 25.6 | Very low | 26.8 | Very low | 190 Ų | 190 | 140.8 Ų | 140.8 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | trans | 69.5 | 118.5 | 157.5 | -65.1 | 172.7 | -179.6 | 177.9 | 0 | 119.5 | ||||
| 991 | K | 25.5 | Very low | 27 | Very low | 217 Ų | 217 | 136 Ų | 136 | 94% | 0.943 | 77% | 0.769 | S | S | * | * | -167 | 163.4 | 96.4 | -99.6 | 175.2 | -177.4 | 177.2 | 0 | 111.1 | |||||
| 992 | S | 25.9 | Very low | 27.2 | Very low | 99 Ų | 99 | 136.7 Ų | 136.7 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | trans | -138.3 | 141.2 | -177.4 | 56.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 993 | N | 23.8 | Very low | 27.6 | Very low | 111 Ų | 111 | 137 Ų | 137 | 59% | 0.594 | 76% | 0.761 | S | S | * | * | trans | 161.5 | 156.9 | 133.8 | -86 | 3.5 | 0 | 0 | 0 | 114.4 | ||||
| 994 | Y | 23.9 | Very low | 27.8 | Very low | 222 Ų | 222 | 135.8 Ų | 135.8 | 87% | 0.871 | 76% | 0.758 | S | S | * | * | trans | 72.7 | 145.4 | 165.5 | -40.5 | -61.8 | 0 | 0 | 0 | 117 | ||||
| 995 | G | 25.2 | Very low | 28.1 | Very low | 75 Ų | 75 | 135.6 Ų | 135.6 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | cis | 179.1 | 158.4 | -4.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 996 | L | 29.4 | Very low | 28.4 | Very low | 164 Ų | 164 | 133.2 Ų | 133.2 | 86% | 0.859 | 73% | 0.729 | S | S | * | * | trans | -84.1 | 146.9 | -174.3 | -100.1 | 79.5 | 0 | 0 | 0 | 115.4 | ||||
| 997 | H | 27.4 | Very low | 28.4 | Very low | 184 Ų | 184 | 132.7 Ų | 132.7 | 85% | 0.852 | 72% | 0.721 | S | S | * | * | trans | 151.2 | 152.5 | 141.2 | -79 | -23.4 | 0 | 0 | 0 | 110.4 | ||||
| 998 | D | 30.5 | Very low | 28.8 | Very low | 124 Ų | 124 | 136.4 Ų | 136.4 | 66% | 0.663 | 73% | 0.726 | S | S | * | * | cis | -142.3 | 150.2 | 9.8 | -168.6 | -2.6 | 0 | 0 | 0 | 110.4 | R1000 | D998-R1000 WeakPolarHBondContact OD1-CG 3.38Š| ||
| 999 | G | 28.2 | Very low | 29 | Very low | 56 Ų | 56 | 133.1 Ų | 133.1 | 58% | 0.577 | 71% | 0.709 | S | S | * | * | trans | -117.1 | 14.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1000 | R | 30.1 | Very low | 29.2 | Very low | 217 Ų | 217 | 139.7 Ų | 139.7 | 82% | 0.819 | 72% | 0.719 | S | S | * | * | trans | -88.5 | -8.8 | -162.9 | -74.9 | 176.7 | 169.2 | -169.3 | -1.9 | 117.3 | D998 | D998-R1000 WeakPolarHBondContact OD1-CG 3.38Š| ||
| 1001 | V | 33.3 | Very low | 29.6 | Very low | 124 Ų | 124 | 135 Ų | 135 | 75% | 0.752 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -90.3 | -24.9 | -178.2 | -177.5 | 0 | 0 | 0 | 0 | 112.9 | I1003 | V1001-I1003 VanDerWaalsContact C-N 3.34Å; V1001-I1003 PolarHBondContact O-N 3.14Å |
| 1002 | L | 31.5 | Very low | 30 | Very low | 104 Ų | 104 | 131.4 Ų | 131.4 | 55% | 0.545 | 70% | 0.702 | S | S | . | * | G | 310 helix | trans | -70.7 | -24.3 | -169.6 | -154.1 | 73 | 0 | 0 | 0 | 114.4 | S1004 L1006 | L1002-S1004 PolarHBondContact O-N 3.2Å; L1002-L1006 WeakPolarHBondContact O-CD1 3.2Å |
| 1003 | I | 33.3 | Very low | 30.4 | Very low | 126 Ų | 126 | 130.9 Ų | 130.9 | 65% | 0.646 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -76.4 | -23.6 | -170.1 | -64 | 174.6 | 0 | 0 | 0 | 112.7 | V1001 | V1001-I1003 VanDerWaalsContact C-N 3.34Å; V1001-I1003 PolarHBondContact O-N 3.14Å |
| 1004 | S | 32.7 | Very low | 31 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 70% | 0.699 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -79.9 | -21.5 | -178.4 | -167.1 | 0 | 0 | 0 | 0 | 114.3 | L1002 | L1002-S1004 PolarHBondContact O-N 3.2Š|
| 1005 | L | 32.6 | Very low | 31.7 | Very low | 120 Ų | 120 | 125.3 Ų | 125.3 | 63% | 0.628 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -13.6 | -176.9 | -90.8 | 131.6 | 0 | 0 | 0 | 113.7 | N1007 | L1005-N1007 PolarHBondContact O-N 2.92Š|
| 1006 | L | 32.2 | Very low | 32.5 | Very low | 71 Ų | 71 | 126.8 Ų | 126.8 | 37% | 0.372 | 67% | 0.673 | S | S | . | * | S | Bend | trans | -80.3 | -10.9 | -173.6 | -77.7 | 162.1 | 0 | 0 | 0 | 114.7 | L827 L1002 | L827-L1006 HydrophobicContact CD1-CD1 4.35Å; L827-L1006 HydrophobicContact CD2-CD1 3.61Å; L827-L1006 HydrophobicContact CD2-CD2 3.65Å; L827-L1006 HydrophobicContact CD2-CG 4.3Å; L1002-L1006 WeakPolarHBondContact O-CD1 3.2Å |
| 1007 | N | 32 | Very low | 32.9 | Very low | 131 Ų | 131 | 125.8 Ų | 125.8 | 70% | 0.701 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -85.5 | -26.7 | -176.2 | -72.6 | -40.7 | 0 | 0 | 0 | 114 | L1005 | L1005-N1007 PolarHBondContact O-N 2.92Š|
| 1008 | D | 32.4 | Very low | 33.7 | Very low | 142 Ų | 142 | 125.5 Ų | 125.5 | 76% | 0.759 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -87.4 | -22.2 | -171.2 | -65.6 | -24.2 | 0 | 0 | 0 | 113.7 | R1010 | D1008-R1010 VanDerWaalsContact C-N 3.35Å; D1008-R1010 PolarHBondContact O-N 3.24Å |
| 1009 | L | 30.2 | Very low | 34.3 | Very low | 120 Ų | 120 | 124.3 Ų | 124.3 | 63% | 0.628 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -84.1 | 3.2 | -170 | -79.1 | 162.6 | 0 | 0 | 0 | 115.7 | A1011 | L1009-A1011 PolarHBondContact O-N 2.85Š|
| 1010 | R | 28.5 | Very low | 35 | Very low | 236 Ų | 236 | 124 Ų | 124 | 89% | 0.891 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -74.7 | -3.5 | -173.8 | -157.1 | 172.1 | -179.1 | 175.9 | 1.6 | 114.7 | D1008 | D1008-R1010 VanDerWaalsContact C-N 3.35Å; D1008-R1010 PolarHBondContact O-N 3.24Å |
| 1011 | A | 33.7 | Very low | 35.6 | Very low | 92 Ų | 92 | 116.9 Ų | 116.9 | 76% | 0.76 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -110.8 | -16.9 | -169.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | L1009 | L1009-A1011 PolarHBondContact O-N 2.85Š|
| 1012 | E | 32.5 | Very low | 36.2 | Very low | 141 Ų | 141 | 117 Ų | 117 | 66% | 0.659 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -110.1 | -8.2 | -168.8 | -66.3 | -172.8 | 136 | 0 | 0 | 115.4 | T1014 I1015 | E1012-T1014 PolarHBondContact O-N 2.71Å; E1012-I1015 PolarHBondContact O-N 3.05Å |
| 1013 | S | 35.1 | Very low | 36.9 | Very low | 88 Ų | 88 | 115.7 Ų | 115.7 | 62% | 0.615 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -61.9 | -14.7 | -164.7 | 60.8 | 0 | 0 | 0 | 0 | 117.2 | ||
| 1014 | T | 35.8 | Very low | 37.1 | Very low | 101 Ų | 101 | 113 Ų | 113 | 62% | 0.62 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -95.5 | -16.5 | -174.9 | -34.2 | 0 | 0 | 0 | 0 | 114.1 | E1012 | E1012-T1014 PolarHBondContact O-N 2.71Å |
| 1015 | I | 40.1 | Very low | 37.7 | Very low | 115 Ų | 115 | 114 Ų | 114 | 59% | 0.59 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -92.5 | -44.2 | -175.8 | -66 | 176.1 | 0 | 0 | 0 | 111.1 | E1012 R1018 K1019 | E1012-I1015 PolarHBondContact O-N 3.05Å; I1015-R1018 PolarHBondContact O-N 2.93Å; I1015-K1019 PolarHBondContact O-N 3.22Å |
| 1016 | E | 40.5 | Very low | 38.4 | Very low | 106 Ų | 106 | 111.2 Ų | 111.2 | 50% | 0.495 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.7 | -36.6 | -179.2 | -63.8 | -50.6 | 121 | 0 | 0 | 113 | R1018 K1019 A1020 | E1016-R1018 PolarHBondContact O-N 3.22Å; E1016-K1019 WeakPolarHBondContact O-CB 3.4Å; E1016-K1019 PolarHBondContact O-N 3.49Å; E1016-K1019 WeakPolarHBondContact OE1-CE 3.37Å; E1016-K1019 IonicContact OE1-NZ 3.09Å; E1016-K1019 PolarHBondContact OE1-NZ 3.05Å; E1016-K1019 WeakPolarHBondContact OE2-CD 3.22Å; E1016-K1019 IonicContact OE2-NZ 2.7Å; E1016-A1020 PolarHBondContact O-N 2.76Å |
| 1017 | F | 38.1 | Very low | 38.9 | Very low | 143 Ų | 143 | 113.2 Ų | 113.2 | 63% | 0.627 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -57.5 | -33.9 | 175.8 | -174.4 | -98.9 | 0 | 0 | 0 | 112.8 | V1021 | F1017-V1021 WeakPolarHBondContact O-CG2 3.47Å; F1017-V1021 PolarHBondContact O-N 3.23Å |
| 1018 | R | 44.1 | Very low | 39.2 | Very low | 178 Ų | 178 | 110.5 Ų | 110.5 | 67% | 0.672 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -72.3 | -35.9 | 174 | -81.7 | -175.6 | 176 | 140.4 | -0.1 | 112.9 | I1015 E1016 Q1022 | I1015-R1018 PolarHBondContact O-N 2.93Å; E1016-R1018 PolarHBondContact O-N 3.22Å; R1018-Q1022 WeakPolarHBondContact O-CB 3.42Å; R1018-Q1022 WeakPolarHBondContact O-CG 3.32Å; R1018-Q1022 PolarHBondContact O-N 3.27Å; R1018-Q1022 VanDerWaalsContact O-N 3.12Å |
| 1019 | K | 44.5 | Very low | 39.9 | Very low | 100 Ų | 100 | 107.4 Ų | 107.4 | 44% | 0.435 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.1 | -42.7 | 178.4 | -68.1 | 176.8 | -175.8 | 168.7 | 0 | 111.6 | I1015 E1016 V1021 Q1022 S1023 | I1015-K1019 PolarHBondContact O-N 3.22Å; E1016-K1019 WeakPolarHBondContact O-CB 3.4Å; E1016-K1019 PolarHBondContact O-N 3.49Å; E1016-K1019 WeakPolarHBondContact OE1-CE 3.37Å; E1016-K1019 IonicContact OE1-NZ 3.09Å; E1016-K1019 PolarHBondContact OE1-NZ 3.05Å; E1016-K1019 WeakPolarHBondContact OE2-CD 3.22Å; E1016-K1019 IonicContact OE2-NZ 2.7Å; K1019-V1021 PolarHBondContact O-N 3.44Å; K1019-Q1022 PolarHBondContact O-N 3.4Å; K1019-S1023 PolarHBondContact O-N 2.95Å; K1019-S1023 PolarHBondContact O-OG 2.97Å |
| 1020 | A | 41.4 | Very low | 40.7 | Very low | 48 Ų | 48 | 104 Ų | 104 | 40% | 0.397 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -58.4 | -47.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E1016 Q1022 S1023 C1024 | E1016-A1020 PolarHBondContact O-N 2.76Å; A1020-Q1022 PolarHBondContact O-N 2.99Å; A1020-S1023 PolarHBondContact O-N 3.43Å; A1020-C1024 PolarHBondContact O-N 3.37Å; A1020-C1024 VanDerWaalsContact O-N 3.16Å |
| 1021 | V | 42.8 | Very low | 41.1 | Very low | 69 Ų | 69 | 96.8 Ų | 96.8 | 42% | 0.418 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 176.7 | 174.8 | 0 | 0 | 0 | 0 | 111.8 | F1017 K1019 Q1025 | F1017-V1021 WeakPolarHBondContact O-CG2 3.47Å; F1017-V1021 PolarHBondContact O-N 3.23Å; K1019-V1021 PolarHBondContact O-N 3.44Å; V1021-Q1025 WeakPolarHBondContact O-CG 3.44Å; V1021-Q1025 PolarHBondContact O-N 2.99Å; V1021-Q1025 VanDerWaalsContact O-N 3.12Å |
| 1022 | Q | 47.1 | Very low | 41.2 | Very low | 125 Ų | 125 | 95.5 Ų | 95.5 | 58% | 0.584 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.4 | -39.5 | 177.3 | -75.9 | 178.2 | -20.7 | 0 | 0 | 112.8 | R1018 K1019 A1020 Q1025 A1026 | R1018-Q1022 WeakPolarHBondContact O-CB 3.42Å; R1018-Q1022 WeakPolarHBondContact O-CG 3.32Å; R1018-Q1022 PolarHBondContact O-N 3.27Å; R1018-Q1022 VanDerWaalsContact O-N 3.12Å; K1019-Q1022 PolarHBondContact O-N 3.4Å; A1020-Q1022 PolarHBondContact O-N 2.99Å; Q1022-Q1025 PolarHBondContact O-N 3.22Å; Q1022-A1026 WeakPolarHBondContact O-CB 3.41Å; Q1022-A1026 PolarHBondContact O-N 2.89Å |
| 1023 | S | 44.6 | Very low | 41.6 | Very low | 78 Ų | 78 | 92.4 Ų | 92.4 | 55% | 0.545 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 176.2 | -68.8 | 0 | 0 | 0 | 0 | 112.2 | K1019 A1020 A1026 L1027 | K1019-S1023 PolarHBondContact O-N 2.95Å; K1019-S1023 PolarHBondContact O-OG 2.97Å; A1020-S1023 PolarHBondContact O-N 3.43Å; S1023-A1026 PolarHBondContact O-N 2.95Å; S1023-L1027 WeakPolarHBondContact O-CB 3.39Å; S1023-L1027 PolarHBondContact O-N 3.04Å |
| 1024 | C | 38.1 | Very low | 41.7 | Very low | 69 Ų | 69 | 96.7 Ų | 96.7 | 47% | 0.466 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.1 | -42.2 | 175.8 | -67 | 0 | 0 | 0 | 0 | 112.4 | A1020 A1026 L1027 L1028 | A1020-C1024 PolarHBondContact O-N 3.37Å; A1020-C1024 VanDerWaalsContact O-N 3.16Å; C1024-A1026 PolarHBondContact O-N 3.37Å; C1024-L1027 PolarHBondContact O-N 2.93Å; C1024-L1028 WeakPolarHBondContact O-CG 3.27Å; C1024-L1028 PolarHBondContact O-N 3.21Å; C1024-L1028 VanDerWaalsContact O-N 3.08Å |
| 1025 | Q | 44.6 | Very low | 41.7 | Very low | 121 Ų | 121 | 97.1 Ų | 97.1 | 57% | 0.565 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65 | -37.7 | 176.2 | -75.6 | -177.7 | -39.8 | 0 | 0 | 112.8 | V1021 Q1022 S1029 | V1021-Q1025 WeakPolarHBondContact O-CG 3.44Å; V1021-Q1025 PolarHBondContact O-N 2.99Å; V1021-Q1025 VanDerWaalsContact O-N 3.12Å; Q1022-Q1025 PolarHBondContact O-N 3.22Å; Q1025-S1029 WeakPolarHBondContact O-CB 3.36Å; Q1025-S1029 PolarHBondContact O-N 2.75Å; Q1025-S1029 PolarHBondContact O-OG 2.96Å |
| 1026 | A | 47.7 | Very low | 41.2 | Very low | 61 Ų | 61 | 96.4 Ų | 96.4 | 50% | 0.504 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.3 | -41.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q1022 S1023 C1024 S1029 A1030 | Q1022-A1026 WeakPolarHBondContact O-CB 3.41Å; Q1022-A1026 PolarHBondContact O-N 2.89Å; S1023-A1026 PolarHBondContact O-N 2.95Å; C1024-A1026 PolarHBondContact O-N 3.37Å; A1026-S1029 PolarHBondContact O-N 3.37Å; A1026-A1030 PolarHBondContact O-N 2.82Å |
| 1027 | L | 42.5 | Very low | 40.7 | Very low | 113 Ų | 113 | 96.7 Ų | 96.7 | 59% | 0.592 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -71.3 | -39.5 | -178 | -151.6 | 141.5 | 0 | 0 | 0 | 111.9 | S1023 C1024 A1030 I1031 | S1023-L1027 WeakPolarHBondContact O-CB 3.39Å; S1023-L1027 PolarHBondContact O-N 3.04Å; C1024-L1027 PolarHBondContact O-N 2.93Å; L1027-A1030 PolarHBondContact O-N 2.76Å; L1027-I1031 HydrophobicContact CD2-CD1 3.92Å; L1027-I1031 WeakPolarHBondContact O-CG1 3.03Å; L1027-I1031 PolarHBondContact O-N 3.45Å |
| 1028 | L | 40 | Very low | 40.6 | Very low | 74 Ų | 74 | 96.1 Ų | 96.1 | 39% | 0.387 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64 | -39.6 | 170.9 | -72.4 | 169.4 | 0 | 0 | 0 | 112.4 | E897 C1024 A1030 I1031 A1032 | E897-L1028 WeakPolarHBondContact OE1-CD2 3.49Å; C1024-L1028 WeakPolarHBondContact O-CG 3.27Å; C1024-L1028 PolarHBondContact O-N 3.21Å; C1024-L1028 VanDerWaalsContact O-N 3.08Å; L1028-A1030 VanDerWaalsContact C-N 3.32Å; L1028-A1030 PolarHBondContact O-N 2.93Å; L1028-I1031 PolarHBondContact O-N 3.07Å; L1028-A1032 WeakPolarHBondContact O-CB 3.28Å; L1028-A1032 PolarHBondContact O-N 3.3Å |
| 1029 | S | 46 | Very low | 40 | Very low | 77 Ų | 77 | 93.2 Ų | 93.2 | 54% | 0.538 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65 | -35.3 | 174.7 | -58.4 | 0 | 0 | 0 | 0 | 112.3 | Q1025 A1026 S1033 | Q1025-S1029 WeakPolarHBondContact O-CB 3.36Å; Q1025-S1029 PolarHBondContact O-N 2.75Å; Q1025-S1029 PolarHBondContact O-OG 2.96Å; A1026-S1029 PolarHBondContact O-N 3.37Å; S1029-S1033 WeakPolarHBondContact O-CB 3.38Å; S1029-S1033 PolarHBondContact O-N 3.04Å; S1029-S1033 PolarHBondContact O-OG 3.5Å; S1029-S1033 VanDerWaalsContact O-OG 3.14Å |
| 1030 | A | 46.3 | Very low | 39.1 | Very low | 49 Ų | 49 | 96.6 Ų | 96.6 | 41% | 0.405 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68 | -38.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1026 L1027 L1028 S1033 K1034 | A1026-A1030 PolarHBondContact O-N 2.82Å; L1027-A1030 PolarHBondContact O-N 2.76Å; L1028-A1030 VanDerWaalsContact C-N 3.32Å; L1028-A1030 PolarHBondContact O-N 2.93Å; A1030-S1033 PolarHBondContact O-OG 3.05Å; A1030-K1034 PolarHBondContact O-N 2.74Å |
| 1031 | I | 37.4 | Very low | 38.5 | Very low | 85 Ų | 85 | 99 Ų | 99 | 44% | 0.436 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -66.1 | -47.8 | 174.3 | -68.4 | 165.7 | 0 | 0 | 0 | 110.6 | L1027 L1028 S1033 K1034 I1035 | L1027-I1031 HydrophobicContact CD2-CD1 3.92Å; L1027-I1031 WeakPolarHBondContact O-CG1 3.03Å; L1027-I1031 PolarHBondContact O-N 3.45Å; L1028-I1031 PolarHBondContact O-N 3.07Å; I1031-S1033 VanDerWaalsContact C-N 3.31Å; I1031-S1033 PolarHBondContact O-N 3.37Å; I1031-K1034 PolarHBondContact O-N 3.4Å; I1031-I1035 HydrophobicContact CG2-CD1 3.98Å; I1031-I1035 WeakPolarHBondContact O-CG1 3.42Å; I1031-I1035 PolarHBondContact O-N 3.05Å |
| 1032 | A | 36.6 | Very low | 37.8 | Very low | 64 Ų | 64 | 107.2 Ų | 107.2 | 53% | 0.529 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -59.6 | -38.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1028 | L1028-A1032 WeakPolarHBondContact O-CB 3.28Å; L1028-A1032 PolarHBondContact O-N 3.3Å |
| 1033 | S | 41 | Very low | 36.8 | Very low | 76 Ų | 76 | 108.7 Ų | 108.7 | 53% | 0.531 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -71.3 | -33 | 178 | 61.5 | 0 | 0 | 0 | 0 | 113.6 | S1029 A1030 I1031 S1036 | S1029-S1033 WeakPolarHBondContact O-CB 3.38Å; S1029-S1033 PolarHBondContact O-N 3.04Å; S1029-S1033 PolarHBondContact O-OG 3.5Å; S1029-S1033 VanDerWaalsContact O-OG 3.14Å; A1030-S1033 PolarHBondContact O-OG 3.05Å; I1031-S1033 VanDerWaalsContact C-N 3.31Å; I1031-S1033 PolarHBondContact O-N 3.37Å; S1033-S1036 PolarHBondContact O-N 3.38Å |
| 1034 | K | 37.4 | Very low | 36 | Very low | 178 Ų | 178 | 113.4 Ų | 113.4 | 77% | 0.774 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -74.2 | -20.1 | 176.2 | -78.7 | -168.8 | 174.8 | -173 | 0 | 114.7 | A1030 I1031 S1036 | A1030-K1034 PolarHBondContact O-N 2.74Å; I1031-K1034 PolarHBondContact O-N 3.4Å; K1034-S1036 PolarHBondContact O-N 3.08Å |
| 1035 | I | 35.7 | Very low | 35.9 | Very low | 111 Ų | 111 | 114.8 Ų | 114.8 | 57% | 0.569 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -10.4 | 174.2 | -66.1 | 167 | 0 | 0 | 0 | 111.2 | I1031 T1037 | I1031-I1035 HydrophobicContact CG2-CD1 3.98Å; I1031-I1035 WeakPolarHBondContact O-CG1 3.42Å; I1031-I1035 PolarHBondContact O-N 3.05Å; I1035-T1037 PolarHBondContact O-N 2.71Å |
| 1036 | S | 29.3 | Very low | 35 | Very low | 100 Ų | 100 | 116.6 Ų | 116.6 | 70% | 0.699 | 67% | 0.668 | S | S | * | * | trans | -103.1 | 58.8 | -174.7 | -145.2 | 0 | 0 | 0 | 0 | 113.9 | S1033 K1034 | S1033-S1036 PolarHBondContact O-N 3.38Å; K1034-S1036 PolarHBondContact O-N 3.08Å | ||
| 1037 | T | 29.9 | Very low | 34 | Very low | 111 Ų | 111 | 120 Ų | 120 | 68% | 0.681 | 68% | 0.678 | S | S | * | * | trans | -123.9 | 119.6 | 167.3 | 52.8 | 0 | 0 | 0 | 0 | 111.1 | I1035 | I1035-T1037 PolarHBondContact O-N 2.71Š| ||
| 1038 | P | 36.1 | Very low | 33.2 | Very low | 132 Ų | 132 | 126.2 Ų | 126.2 | 86% | 0.857 | 69% | 0.693 | S | S | * | * | trans | -86.3 | 121.9 | -172 | 32.5 | -33.5 | 0 | 0 | 0 | 112.7 | ||||
| 1039 | S | 30.6 | Very low | 32.5 | Very low | 116 Ų | 116 | 127.5 Ų | 127.5 | 81% | 0.811 | 71% | 0.714 | S | S | * | * | trans | -109.3 | 115.1 | 169.8 | 57.3 | 0 | 0 | 0 | 0 | 111.3 | A1041 | S1039-A1041 PolarHBondContact O-N 3.07Š| ||
| 1040 | N | 26.7 | Very low | 31.5 | Very low | 172 Ų | 172 | 130.6 Ų | 130.6 | 92% | 0.92 | 74% | 0.735 | S | S | * | * | trans | -48.2 | 121.6 | -174.7 | -71.5 | -50.6 | 0 | 0 | 0 | 115.9 | ||||
| 1041 | A | 29 | Very low | 30.4 | Very low | 97 Ų | 97 | 131.3 Ų | 131.3 | 80% | 0.802 | 75% | 0.746 | S | S | * | * | trans | -147.1 | 119.2 | 150.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | S1039 | S1039-A1041 PolarHBondContact O-N 3.07Š| ||
| 1042 | R | 28.1 | Very low | 29.8 | Very low | 243 Ų | 243 | 137.3 Ų | 137.3 | 92% | 0.917 | 77% | 0.769 | S | S | * | * | trans | -36.6 | 128.9 | -170.8 | -66.4 | 170.7 | 177.5 | 170.1 | -1.4 | 117.2 | ||||
| 1043 | I | 25.1 | Very low | 29.5 | Very low | 156 Ų | 156 | 139.1 Ų | 139.1 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | trans | -81.5 | 135.4 | 156.4 | -62.1 | 168.4 | 0 | 0 | 0 | 109 | ||||
| 1044 | H | 28.6 | Very low | 29.1 | Very low | 176 Ų | 176 | 147.3 Ų | 147.3 | 82% | 0.815 | 80% | 0.804 | S | S | * | * | trans | -130.2 | 133.3 | 147.7 | -96.1 | -78 | 0 | 0 | 0 | 108.4 | ||||
| 1045 | P | 35.5 | Very low | 28.8 | Very low | 99 Ų | 99 | 145 Ų | 145 | 64% | 0.643 | 81% | 0.805 | S | S | * | * | trans | -87.3 | 162 | 177.6 | 36.5 | -35 | 0 | 0 | 0 | 111.4 | ||||
| 1046 | I | 25.2 | Very low | 29.1 | Very low | 158 Ų | 158 | 147 Ų | 147 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | trans | -174.3 | 126.9 | 135.9 | -96.3 | 152 | 0 | 0 | 0 | 112 | ||||
| 1047 | D | 26.3 | Very low | 30.3 | Very low | 134 Ų | 134 | 148 Ų | 148 | 72% | 0.717 | 82% | 0.824 | S | S | * | * | trans | 35.1 | 126.6 | 152.9 | -61.4 | -53.4 | 0 | 0 | 0 | 126.8 | ||||
| 1048 | R | 25.5 | Very low | 32.1 | Very low | 242 Ų | 242 | 146 Ų | 146 | 91% | 0.913 | 81% | 0.811 | S | S | * | * | 4.9 | 115.9 | 124.2 | -67.3 | 175.3 | 169.2 | 178.7 | -2.7 | 117.7 | |||||
| 1049 | A | 27.1 | Very low | 34.2 | Very low | 101 Ų | 101 | 141.8 Ų | 141.8 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | trans | -151.6 | 127.1 | 136.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1050 | C | 24.5 | Very low | 36.8 | Very low | 143 Ų | 143 | 144.2 Ų | 144.2 | 97% | 0.966 | 78% | 0.78 | S | S | * | * | trans | -81 | 123.5 | 167.9 | 174.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1051 | G | 23.5 | Very low | 39.6 | Very low | 63 Ų | 63 | 142.5 Ų | 142.5 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | trans | 177 | 107.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1052 | K | 25.2 | Very low | 42.5 | Very low | 211 Ų | 211 | 137.9 Ų | 137.9 | 92% | 0.917 | 73% | 0.728 | S | S | * | * | trans | 72.2 | 124.2 | 153.8 | -62.8 | 179.8 | 176.1 | 179 | 0 | 118.6 | ||||
| 1053 | A | 29.2 | Very low | 45.4 | Very low | 102 Ų | 102 | 127.1 Ų | 127.1 | 84% | 0.843 | 69% | 0.689 | S | S | * | * | trans | -57.4 | 150.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1054 | R | 31.8 | Very low | 48.5 | Very low | 248 Ų | 248 | 125.6 Ų | 125.6 | 94% | 0.936 | 68% | 0.679 | S | S | * | * | trans | -113.9 | 139.9 | 163.5 | -85.6 | -175.3 | 167.2 | -177.9 | -4.1 | 109.8 | ||||
| 1055 | T | 32.8 | Very low | 51.6 | Low | 131 Ų | 131 | 118.4 Ų | 118.4 | 80% | 0.804 | 64% | 0.644 | S | S | * | * | trans | -68.1 | 156.4 | -166 | 45.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1056 | D | 40.7 | Very low | 54.3 | Low | 153 Ų | 153 | 113.7 Ų | 113.7 | 82% | 0.818 | 61% | 0.614 | S | S | * | * | trans | -54.9 | 137.2 | 173.5 | -44 | -87.6 | 0 | 0 | 0 | 112.5 | ||||
| 1057 | S | 54.3 | Low | 57.6 | Low | 121 Ų | 121 | 111.9 Ų | 111.9 | 85% | 0.846 | 60% | 0.597 | S | S | * | * | trans | -116.1 | 90.5 | 163.6 | 65.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1058 | V | 68.5 | Low | 60.7 | Low | 69 Ų | 69 | 114.1 Ų | 114.1 | 42% | 0.418 | 60% | 0.595 | S | S | . | * | trans | -70.7 | 139.7 | 174.8 | 176.2 | 0 | 0 | 0 | 0 | 109.4 | E1060 V1063 T1080 | V1058-E1060 PolarHBondContact O-N 2.88Å; V1058-E1060 VanDerWaalsContact O-N 3.12Å; V1058-V1063 HydrophobicContact CG1-CG2 3.46Å; V1058-V1063 VanDerWaalsContact CG1-CG2 3.46Å; V1058-T1080 HydrophobicContact CG1-CG2 3.45Å; V1058-T1080 VanDerWaalsContact CG1-CG2 3.45Å | ||
| 1059 | D | 80.2 | Confident | 63.8 | Low | 42 Ų | 42 | 103.4 Ų | 103.4 | 23% | 0.225 | 56% | 0.556 | C | S | . | * | trans | -69.8 | 104.1 | 170.7 | -178.9 | -4.6 | 0 | 0 | 0 | 109.8 | E1061 L1062 V1063 T1085 L1086 | D1059-E1061 PolarHBondContact O-N 2.9Å; D1059-E1061 WeakPolarHBondContact OD1-CA 3.49Å; D1059-E1061 WeakPolarHBondContact OD1-CB 3.43Å; D1059-E1061 PolarHBondContact OD1-N 3.48Å; D1059-L1062 HydrophobicContact CB-CB 3.92Å; D1059-L1062 WeakPolarHBondContact O-CB 3.44Å; D1059-L1062 PolarHBondContact O-N 2.95Å; D1059-L1062 PolarHBondContact OD1-N 3.29Å; D1059-V1063 PolarHBondContact O-N 3.22Å; D1059-V1063 VanDerWaalsContact O-N 3.11Å; D1059-T1085 WeakPolarHBondContact OD2-CA 3.34Å; D1059-T1085 WeakPolarHBondContact OD2-CB 3.3Å; D1059-L1086 PolarHBondContact OD2-N 2.93Å | ||
| 1060 | E | 85.7 | Confident | 66.8 | Low | 167 Ų | 167 | 105.5 Ų | 105.5 | 78% | 0.78 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.6 | -30.6 | 178.5 | -65.7 | -169.3 | 165.7 | 0 | 0 | 112.4 | V1058 V1063 E1064 | V1058-E1060 PolarHBondContact O-N 2.88Å; V1058-E1060 VanDerWaalsContact O-N 3.12Å; E1060-V1063 PolarHBondContact O-N 3.38Å; E1060-E1064 WeakPolarHBondContact O-CB 3.37Å; E1060-E1064 PolarHBondContact O-N 2.96Å |
| 1061 | E | 85.1 | Confident | 69.9 | Low | 137 Ų | 137 | 99.3 Ų | 99.3 | 64% | 0.64 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -70.1 | -36.5 | 178.4 | -155.3 | -175.7 | 168.6 | 0 | 0 | 110.8 | D1059 W1065 L1086 | D1059-E1061 PolarHBondContact O-N 2.9Å; D1059-E1061 WeakPolarHBondContact OD1-CA 3.49Å; D1059-E1061 WeakPolarHBondContact OD1-CB 3.43Å; D1059-E1061 PolarHBondContact OD1-N 3.48Å; E1061-W1065 WeakPolarHBondContact O-CB 3.4Å; E1061-W1065 PolarHBondContact O-N 3.38Å; E1061-L1086 HydrophobicContact CB-CD2 4.41Å; E1061-L1086 HydrophobicContact CG-CD2 3.8Å |
| 1062 | L | 88.8 | Confident | 73 | Confident | 0 Ų | 0 | 99.3 Ų | 99.3 | 0% | 0 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -63.9 | -47.7 | 171 | 175.4 | 61.4 | 0 | 0 | 0 | 111.7 | D1059 W1065 L1066 Y1084 L1086 L1089 | D1059-L1062 HydrophobicContact CB-CB 3.92Å; D1059-L1062 WeakPolarHBondContact O-CB 3.44Å; D1059-L1062 PolarHBondContact O-N 2.95Å; D1059-L1062 PolarHBondContact OD1-N 3.29Å; L1062-W1065 PolarHBondContact O-N 3.43Å; L1062-L1066 HydrophobicContact CD1-CD1 3.74Å; L1062-L1066 HydrophobicContact CD1-CG 3.89Å; L1062-L1066 HydrophobicContact CG-CD1 3.84Å; L1062-L1066 HydrophobicContact CG-CG 4.38Å; L1062-L1066 WeakPolarHBondContact O-CB 3.3Å; L1062-L1066 VanDerWaalsContact O-CG 3.27Å; L1062-L1066 WeakPolarHBondContact O-CG 3.46Å; L1062-L1066 PolarHBondContact O-N 2.93Å; L1062-Y1084 WeakPolarHBondContact CD2-O 3.44Å; L1062-L1086 HydrophobicContact CB-CB 4.13Å; L1062-L1086 HydrophobicContact CD1-CD1 4.22Å; L1062-L1089 HydrophobicContact CD1-CB 4.31Å; L1062-L1089 HydrophobicContact CD1-CD2 3.78Å |
| 1063 | V | 89.4 | Confident | 76.1 | Confident | 17 Ų | 17 | 93.4 Ų | 93.4 | 10% | 0.103 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -62.5 | -46 | -179.1 | 173.2 | 0 | 0 | 0 | 0 | 111 | V1058 D1059 E1060 W1065 L1066 R1067 I1076 T1080 | V1058-V1063 HydrophobicContact CG1-CG2 3.46Å; V1058-V1063 VanDerWaalsContact CG1-CG2 3.46Å; D1059-V1063 PolarHBondContact O-N 3.22Å; D1059-V1063 VanDerWaalsContact O-N 3.11Å; E1060-V1063 PolarHBondContact O-N 3.38Å; V1063-W1065 PolarHBondContact O-N 2.98Å; V1063-L1066 PolarHBondContact O-N 3.14Å; V1063-R1067 WeakPolarHBondContact O-CG 3.42Å; V1063-R1067 PolarHBondContact O-N 3.2Å; V1063-I1076 HydrophobicContact CG1-CG2 4.35Å; V1063-I1076 HydrophobicContact CG2-CG2 4.13Å; V1063-T1080 HydrophobicContact CG2-CG2 3.6Å |
| 1064 | E | 90.7 | Very high | 78.9 | Confident | 124 Ų | 124 | 93.9 Ų | 93.9 | 58% | 0.579 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -64.5 | -40.5 | 178.5 | -171.4 | 60 | -160.9 | 0 | 0 | 111.4 | E1060 R1067 R1068 | E1060-E1064 WeakPolarHBondContact O-CB 3.37Å; E1060-E1064 PolarHBondContact O-N 2.96Å; E1064-R1067 PolarHBondContact O-N 3.36Å; E1064-R1068 VanDerWaalsContact O-CB 3.31Å; E1064-R1068 WeakPolarHBondContact O-CB 3.45Å; E1064-R1068 PolarHBondContact O-N 2.99Å |
| 1065 | W | 93.8 | Very high | 81.5 | Confident | 24 Ų | 24 | 82.1 Ų | 82.1 | 9% | 0.091 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 174.9 | -174.4 | 96.6 | 0 | 0 | 0 | 112.4 | E1061 L1062 V1063 R1068 I1069 L1086 L1089 L1090 I1112 H1115 | E1061-W1065 WeakPolarHBondContact O-CB 3.4Å; E1061-W1065 PolarHBondContact O-N 3.38Å; L1062-W1065 PolarHBondContact O-N 3.43Å; V1063-W1065 PolarHBondContact O-N 2.98Å; W1065-R1068 VanDerWaalsContact CD1-NH2 3.3Å; W1065-R1068 PolarHBondContact O-N 2.69Å; W1065-I1069 HydrophobicContact CE3-CD1 4.04Å; W1065-I1069 HydrophobicContact CE3-CG1 4.12Å; W1065-I1069 HydrophobicContact CH2-CD1 3.79Å; W1065-I1069 HydrophobicContact CZ2-CD1 4.49Å; W1065-I1069 HydrophobicContact CZ3-CD1 3.53Å; W1065-I1069 HydrophobicContact CZ3-CG1 4.12Å; W1065-I1069 WeakPolarHBondContact O-CG1 3.45Å; W1065-I1069 PolarHBondContact O-N 3.16Å; W1065-L1086 HydrophobicContact CB-CD1 3.72Å; W1065-L1086 HydrophobicContact CB-CD2 3.96Å; W1065-L1086 HydrophobicContact CB-CG 4.49Å; W1065-L1086 HydrophobicContact CD2-CD1 3.54Å; W1065-L1086 HydrophobicContact CE3-CD1 3.87Å; W1065-L1086 HydrophobicContact CG-CD1 3.47Å; W1065-L1086 VanDerWaalsContact CG-CD1 3.47Å; W1065-L1086 HydrophobicContact CG-CD2 4.11Å; W1065-L1086 HydrophobicContact CG-CG 4.47Å; W1065-L1089 HydrophobicContact CZ3-CD2 3.95Å; W1065-L1090 HydrophobicContact CH2-CD2 4.05Å; W1065-L1090 HydrophobicContact CZ2-CD2 3.65Å; W1065-I1112 HydrophobicContact CZ3-CG2 4.47Å; W1065-H1115 HydrophobicContact CH2-CB 3.77Å; W1065-H1115 HydrophobicContact CZ2-CB 3.68Å |
| 1066 | L | 92.6 | Very high | 84.2 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 178.2 | -71.7 | 171.1 | 0 | 0 | 0 | 112.2 | L1062 V1063 I1069 E1070 I1071 I1076 L1079 L1089 I1112 | L1062-L1066 HydrophobicContact CD1-CD1 3.74Å; L1062-L1066 HydrophobicContact CD1-CG 3.89Å; L1062-L1066 HydrophobicContact CG-CD1 3.84Å; L1062-L1066 HydrophobicContact CG-CG 4.38Å; L1062-L1066 WeakPolarHBondContact O-CB 3.3Å; L1062-L1066 VanDerWaalsContact O-CG 3.27Å; L1062-L1066 WeakPolarHBondContact O-CG 3.46Å; L1062-L1066 PolarHBondContact O-N 2.93Å; V1063-L1066 PolarHBondContact O-N 3.14Å; L1066-I1069 HydrophobicContact CD2-CD1 4.46Å; L1066-I1069 CarbonylContact O-C 3.55Å; L1066-I1069 PolarHBondContact O-N 3.12Å; L1066-E1070 PolarHBondContact O-N 3.2Å; L1066-I1071 HydrophobicContact CB-CB 4.24Å; L1066-I1071 HydrophobicContact CB-CG1 4.44Å; L1066-I1071 HydrophobicContact CD2-CB 4.45Å; L1066-I1071 HydrophobicContact CD2-CG1 4.04Å; L1066-I1071 HydrophobicContact CD2-CG2 4.5Å; L1066-I1071 WeakPolarHBondContact O-CB 3.38Å; L1066-I1071 WeakPolarHBondContact O-CG1 3.34Å; L1066-I1071 PolarHBondContact O-N 3.46Å; L1066-I1076 HydrophobicContact CB-CD1 4.09Å; L1066-I1076 HydrophobicContact CB-CG1 3.89Å; L1066-I1076 HydrophobicContact CD1-CB 4.47Å; L1066-I1076 HydrophobicContact CD1-CG1 4.11Å; L1066-I1076 HydrophobicContact CD1-CG2 4.31Å; L1066-L1079 HydrophobicContact CD1-CB 4.27Å; L1066-L1079 HydrophobicContact CD1-CD1 3.67Å; L1066-L1079 HydrophobicContact CD2-CD1 3.83Å; L1066-L1079 HydrophobicContact CG-CD1 4.43Å; L1066-L1089 HydrophobicContact CD2-CD2 4.24Å; L1066-I1112 HydrophobicContact CD2-CD1 4.35Å; L1066-I1112 HydrophobicContact CD2-CG1 4.19Å |
| 1067 | R | 93.1 | Very high | 86.4 | Confident | 121 Ų | 121 | 73 Ų | 73 | 46% | 0.457 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.8 | -43.5 | 173 | -74.9 | -179.6 | 175.4 | 144.5 | 6.4 | 111.8 | V1063 E1064 I1069 E1070 E1073 I1076 | V1063-R1067 WeakPolarHBondContact O-CG 3.42Å; V1063-R1067 PolarHBondContact O-N 3.2Å; E1064-R1067 PolarHBondContact O-N 3.36Å; R1067-I1069 PolarHBondContact O-N 2.91Å; R1067-E1070 PolarHBondContact O-N 3.45Å; R1067-E1073 IonicContact CZ-OE1 3.88Å; R1067-E1073 VanDerWaalsContact CZ-OE1 3.22Å; R1067-E1073 IonicContact NE-OE1 3.69Å; R1067-E1073 PolarHBondContact NE-OE1 3.47Å; R1067-E1073 IonicContact NH2-OE1 3.39Å; R1067-E1073 PolarHBondContact NH2-OE1 3.42Å; R1067-E1073 IonicContact NH2-OE2 2.72Å; R1067-E1073 PolarHBondContact NH2-OE2 3.17Å; R1067-I1076 HydrophobicContact CG-CD1 3.72Å |
| 1068 | R | 91.5 | Very high | 87.8 | Confident | 181 Ų | 181 | 68.8 Ų | 68.8 | 68% | 0.683 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63.9 | -26.9 | 177.9 | -170.2 | -179.1 | 66.2 | -178 | -4.9 | 113.4 | E1064 W1065 E1070 | E1064-R1068 VanDerWaalsContact O-CB 3.31Å; E1064-R1068 WeakPolarHBondContact O-CB 3.45Å; E1064-R1068 PolarHBondContact O-N 2.99Å; W1065-R1068 VanDerWaalsContact CD1-NH2 3.3Å; W1065-R1068 PolarHBondContact O-N 2.69Å; R1068-E1070 VanDerWaalsContact C-N 3.34Å |
| 1069 | I | 90.8 | Very high | 88.3 | Confident | 17 Ų | 17 | 65.5 Ų | 65.5 | 9% | 0.087 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 22.6 | 171.5 | 63.5 | 143.9 | 0 | 0 | 0 | 113.3 | W1065 L1066 R1067 I1071 R1111 I1112 H1115 | W1065-I1069 HydrophobicContact CE3-CD1 4.04Å; W1065-I1069 HydrophobicContact CE3-CG1 4.12Å; W1065-I1069 HydrophobicContact CH2-CD1 3.79Å; W1065-I1069 HydrophobicContact CZ2-CD1 4.49Å; W1065-I1069 HydrophobicContact CZ3-CD1 3.53Å; W1065-I1069 HydrophobicContact CZ3-CG1 4.12Å; W1065-I1069 WeakPolarHBondContact O-CG1 3.45Å; W1065-I1069 PolarHBondContact O-N 3.16Å; L1066-I1069 HydrophobicContact CD2-CD1 4.46Å; L1066-I1069 CarbonylContact O-C 3.55Å; L1066-I1069 PolarHBondContact O-N 3.12Å; R1067-I1069 PolarHBondContact O-N 2.91Å; I1069-I1071 HydrophobicContact CD1-CD1 4Å; I1069-I1071 HydrophobicContact CD1-CG1 3.7Å; I1069-I1071 HydrophobicContact CG1-CD1 4.48Å; I1069-I1071 HydrophobicContact CG1-CG1 3.81Å; I1069-I1071 PolarHBondContact O-N 3.11Å; I1069-R1111 WeakPolarHBondContact O-CD 3.17Å; I1069-I1112 HydrophobicContact CD1-CG1 4.2Å; I1069-H1115 HydrophobicContact CD1-CB 4.32Å; I1069-H1115 HydrophobicContact CG2-CB 4.44Å |
| 1070 | E | 90 | Very high | 88.4 | Confident | 145 Ų | 145 | 64.5 Ų | 64.5 | 68% | 0.678 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 51.8 | 173.8 | -60.9 | 178.6 | 178.6 | 0 | 0 | 113.7 | L1066 R1067 R1068 R1111 | L1066-E1070 PolarHBondContact O-N 3.2Å; R1067-E1070 PolarHBondContact O-N 3.45Å; R1068-E1070 VanDerWaalsContact C-N 3.34Å; E1070-R1111 PolarHBondContact O-NH1 3.14Å; E1070-R1111 IonicContact OE2-CZ 2.7Å; E1070-R1111 IonicContact OE2-NH1 3.54Å; E1070-R1111 PolarHBondContact OE2-NH1 3.02Å; E1070-R1111 VanDerWaalsContact OE2-NH1 3.09Å |
| 1071 | I | 90.5 | Very high | 88.1 | Confident | 13 Ų | 13 | 66.5 Ų | 66.5 | 7% | 0.067 | 30% | 0.297 | C | S | . | . | trans | -94.9 | 140.5 | 173.2 | -57.3 | -62 | 0 | 0 | 0 | 109.7 | L1066 I1069 I1076 V1108 R1111 I1112 | L1066-I1071 HydrophobicContact CB-CB 4.24Å; L1066-I1071 HydrophobicContact CB-CG1 4.44Å; L1066-I1071 HydrophobicContact CD2-CB 4.45Å; L1066-I1071 HydrophobicContact CD2-CG1 4.04Å; L1066-I1071 HydrophobicContact CD2-CG2 4.5Å; L1066-I1071 WeakPolarHBondContact O-CB 3.38Å; L1066-I1071 WeakPolarHBondContact O-CG1 3.34Å; L1066-I1071 PolarHBondContact O-N 3.46Å; I1069-I1071 HydrophobicContact CD1-CD1 4Å; I1069-I1071 HydrophobicContact CD1-CG1 3.7Å; I1069-I1071 HydrophobicContact CG1-CD1 4.48Å; I1069-I1071 HydrophobicContact CG1-CG1 3.81Å; I1069-I1071 PolarHBondContact O-N 3.11Å; I1071-I1076 HydrophobicContact CB-CG1 4.28Å; I1071-I1076 HydrophobicContact CG2-CG1 3.96Å; I1071-V1108 HydrophobicContact CD1-CG1 3.67Å; I1071-V1108 HydrophobicContact CG2-CG1 3.72Å; I1071-R1111 HydrophobicContact CD1-CB 4.06Å; I1071-R1111 HydrophobicContact CD1-CG 4.09Å; I1071-I1112 HydrophobicContact CD1-CD1 4.11Å; I1071-I1112 HydrophobicContact CD1-CG1 3.55Å; I1071-I1112 HydrophobicContact CG1-CD1 4.46Å; I1071-I1112 HydrophobicContact CG1-CG1 3.98Å; I1071-I1112 HydrophobicContact CG2-CD1 4.44Å | ||
| 1072 | D | 88.4 | Confident | 87.6 | Confident | 62 Ų | 62 | 64 Ų | 64 | 33% | 0.332 | 29% | 0.285 | S | S | . | . | trans | -71.6 | 146.7 | -179.2 | 68.8 | 96 | 0 | 0 | 0 | 112.1 | H1074 S1075 I1076 V1108 | D1072-H1074 PolarHBondContact O-N 2.86Å; D1072-H1074 VanDerWaalsContact O-N 3.11Å; D1072-H1074 WeakPolarHBondContact OD1-CB 3.39Å; D1072-H1074 PolarHBondContact OD1-N 2.89Å; D1072-S1075 VanDerWaalsContact CG-OG 3.29Å; D1072-S1075 PolarHBondContact O-N 3.27Å; D1072-S1075 VanDerWaalsContact O-N 3.07Å; D1072-S1075 PolarHBondContact OD1-N 3.38Å; D1072-S1075 PolarHBondContact OD1-OG 3.18Å; D1072-S1075 VanDerWaalsContact OD2-CB 3.28Å; D1072-S1075 WeakPolarHBondContact OD2-CB 3.46Å; D1072-S1075 PolarHBondContact OD2-OG 3.33Å; D1072-I1076 WeakPolarHBondContact O-CG1 3.43Å; D1072-I1076 PolarHBondContact O-N 3.39Å; D1072-V1108 WeakPolarHBondContact OD2-CG2 3.42Å | ||
| 1073 | E | 90.6 | Very high | 87 | Confident | 87 Ų | 87 | 69.7 Ų | 69.7 | 41% | 0.407 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.5 | -26.4 | -177.4 | -73.1 | -70.3 | 147 | 0 | 0 | 113.5 | R1067 N1077 | R1067-E1073 IonicContact CZ-OE1 3.88Å; R1067-E1073 VanDerWaalsContact CZ-OE1 3.22Å; R1067-E1073 IonicContact NE-OE1 3.69Å; R1067-E1073 PolarHBondContact NE-OE1 3.47Å; R1067-E1073 IonicContact NH2-OE1 3.39Å; R1067-E1073 PolarHBondContact NH2-OE1 3.42Å; R1067-E1073 IonicContact NH2-OE2 2.72Å; R1067-E1073 PolarHBondContact NH2-OE2 3.17Å; E1073-N1077 WeakPolarHBondContact O-CB 3.45Å; E1073-N1077 PolarHBondContact O-N 3.37Å; E1073-N1077 PolarHBondContact O-ND2 3.13Å |
| 1074 | H | 86.8 | Confident | 86.3 | Confident | 113 Ų | 113 | 71.5 Ų | 71.5 | 52% | 0.523 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -70.1 | -45.5 | 176 | 175.4 | 72.7 | 0 | 0 | 0 | 111 | D1072 N1077 I1078 | D1072-H1074 PolarHBondContact O-N 2.86Å; D1072-H1074 VanDerWaalsContact O-N 3.11Å; D1072-H1074 WeakPolarHBondContact OD1-CB 3.39Å; D1072-H1074 PolarHBondContact OD1-N 2.89Å; H1074-N1077 PolarHBondContact O-N 2.95Å; H1074-I1078 WeakPolarHBondContact O-CG1 3.28Å; H1074-I1078 PolarHBondContact O-N 3.27Å |
| 1075 | S | 87.2 | Confident | 86 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.3 | -33.8 | 173.2 | -58.5 | 0 | 0 | 0 | 0 | 113.2 | D1072 I1078 L1079 | D1072-S1075 VanDerWaalsContact CG-OG 3.29Å; D1072-S1075 PolarHBondContact O-N 3.27Å; D1072-S1075 VanDerWaalsContact O-N 3.07Å; D1072-S1075 PolarHBondContact OD1-N 3.38Å; D1072-S1075 PolarHBondContact OD1-OG 3.18Å; D1072-S1075 VanDerWaalsContact OD2-CB 3.28Å; D1072-S1075 WeakPolarHBondContact OD2-CB 3.46Å; D1072-S1075 PolarHBondContact OD2-OG 3.33Å; S1075-I1078 PolarHBondContact O-N 2.97Å; S1075-L1079 PolarHBondContact O-N 3.35Å |
| 1076 | I | 90.3 | Very high | 85.7 | Confident | 3 Ų | 3 | 67.5 Ų | 67.5 | 2% | 0.015 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.6 | -49.8 | 170.9 | -64.4 | 176.8 | 0 | 0 | 0 | 109.8 | V1063 L1066 R1067 I1071 D1072 I1078 L1079 T1080 | V1063-I1076 HydrophobicContact CG1-CG2 4.35Å; V1063-I1076 HydrophobicContact CG2-CG2 4.13Å; L1066-I1076 HydrophobicContact CB-CD1 4.09Å; L1066-I1076 HydrophobicContact CB-CG1 3.89Å; L1066-I1076 HydrophobicContact CD1-CB 4.47Å; L1066-I1076 HydrophobicContact CD1-CG1 4.11Å; L1066-I1076 HydrophobicContact CD1-CG2 4.31Å; R1067-I1076 HydrophobicContact CG-CD1 3.72Å; I1071-I1076 HydrophobicContact CB-CG1 4.28Å; I1071-I1076 HydrophobicContact CG2-CG1 3.96Å; D1072-I1076 WeakPolarHBondContact O-CG1 3.43Å; D1072-I1076 PolarHBondContact O-N 3.39Å; I1076-I1078 VanDerWaalsContact C-N 3.25Å; I1076-I1078 PolarHBondContact O-N 3.03Å; I1076-L1079 PolarHBondContact O-N 2.91Å; I1076-T1080 HydrophobicContact CG2-CG2 4.04Å; I1076-T1080 WeakPolarHBondContact O-CG2 3.36Å; I1076-T1080 PolarHBondContact O-N 3.38Å; I1076-T1080 PolarHBondContact O-OG1 2.98Å |
| 1077 | N | 85.9 | Confident | 85.3 | Confident | 91 Ų | 91 | 72.1 Ų | 72.1 | 49% | 0.487 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.6 | -28.7 | 179.8 | -81.7 | -66.7 | 0 | 0 | 0 | 113.5 | E1073 H1074 T1080 R1081 | E1073-N1077 WeakPolarHBondContact O-CB 3.45Å; E1073-N1077 PolarHBondContact O-N 3.37Å; E1073-N1077 PolarHBondContact O-ND2 3.13Å; H1074-N1077 PolarHBondContact O-N 2.95Å; N1077-T1080 WeakPolarHBondContact CA-OG1 3.41Å; N1077-T1080 PolarHBondContact O-OG1 3.48Å; N1077-R1081 WeakPolarHBondContact O-CB 3.37Å; N1077-R1081 PolarHBondContact O-N 3.36Å; N1077-R1081 VanDerWaalsContact O-N 3.17Å |
| 1078 | I | 83.1 | Confident | 84.7 | Confident | 31 Ų | 31 | 69.4 Ų | 69.4 | 16% | 0.159 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.8 | -49.8 | 170.4 | -70.4 | 169.3 | 0 | 0 | 0 | 110.2 | H1074 S1075 I1076 R1081 E1082 L1102 I1104 | H1074-I1078 WeakPolarHBondContact O-CG1 3.28Å; H1074-I1078 PolarHBondContact O-N 3.27Å; S1075-I1078 PolarHBondContact O-N 2.97Å; I1076-I1078 VanDerWaalsContact C-N 3.25Å; I1076-I1078 PolarHBondContact O-N 3.03Å; I1078-R1081 PolarHBondContact O-N 3.47Å; I1078-E1082 WeakPolarHBondContact O-CG 3.39Å; I1078-E1082 PolarHBondContact O-N 3.1Å; I1078-L1102 HydrophobicContact CG2-CB 4.23Å; I1078-L1102 WeakPolarHBondContact CG2-O 3.39Å; I1078-I1104 HydrophobicContact CG2-CG1 4.04Å |
| 1079 | L | 80.9 | Confident | 84.4 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.1 | -39.1 | -177.5 | -75.1 | 172.1 | 0 | 0 | 0 | 113.6 | L1066 S1075 I1076 E1082 Y1084 L1089 L1102 I1104 I1112 | L1066-L1079 HydrophobicContact CD1-CB 4.27Å; L1066-L1079 HydrophobicContact CD1-CD1 3.67Å; L1066-L1079 HydrophobicContact CD2-CD1 3.83Å; L1066-L1079 HydrophobicContact CG-CD1 4.43Å; S1075-L1079 PolarHBondContact O-N 3.35Å; I1076-L1079 PolarHBondContact O-N 2.91Å; L1079-E1082 PolarHBondContact O-N 3.11Å; L1079-Y1084 HydrophobicContact CD2-CD2 4.21Å; L1079-Y1084 PolarHBondContact O-N 3.06Å; L1079-L1089 HydrophobicContact CD1-CD1 4.46Å; L1079-L1089 HydrophobicContact CD1-CD2 4.34Å; L1079-L1089 HydrophobicContact CD2-CD1 3.72Å; L1079-L1102 HydrophobicContact CD2-CD1 3.92Å; L1079-I1104 HydrophobicContact CD1-CD1 4Å; L1079-I1104 HydrophobicContact CD2-CD1 3.58Å; L1079-I1104 HydrophobicContact CG-CD1 3.67Å; L1079-I1112 HydrophobicContact CD1-CD1 3.98Å |
| 1080 | T | 80.9 | Confident | 84.2 | Confident | 21 Ų | 21 | 60.2 Ų | 60.2 | 13% | 0.129 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -72.8 | -35.6 | 179.1 | 58 | 0 | 0 | 0 | 0 | 112.1 | V1058 V1063 I1076 N1077 E1082 E1083 | V1058-T1080 HydrophobicContact CG1-CG2 3.45Å; V1058-T1080 VanDerWaalsContact CG1-CG2 3.45Å; V1063-T1080 HydrophobicContact CG2-CG2 3.6Å; I1076-T1080 HydrophobicContact CG2-CG2 4.04Å; I1076-T1080 WeakPolarHBondContact O-CG2 3.36Å; I1076-T1080 PolarHBondContact O-N 3.38Å; I1076-T1080 PolarHBondContact O-OG1 2.98Å; N1077-T1080 WeakPolarHBondContact CA-OG1 3.41Å; N1077-T1080 PolarHBondContact O-OG1 3.48Å; T1080-E1082 VanDerWaalsContact C-N 3.27Å; T1080-E1082 PolarHBondContact O-N 3.36Å; T1080-E1083 PolarHBondContact O-N 2.78Å; T1080-E1083 VanDerWaalsContact O-N 3.13Å |
| 1081 | R | 79 | Confident | 83.6 | Confident | 210 Ų | 210 | 59 Ų | 59 | 79% | 0.792 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -67 | -26.1 | 174.8 | 177.4 | 175.8 | 156.1 | -178.3 | -7.2 | 113.4 | N1077 I1078 E1083 | N1077-R1081 WeakPolarHBondContact O-CB 3.37Å; N1077-R1081 PolarHBondContact O-N 3.36Å; N1077-R1081 VanDerWaalsContact O-N 3.17Å; I1078-R1081 PolarHBondContact O-N 3.47Å; R1081-E1083 PolarHBondContact O-N 3.11Å |
| 1082 | E | 75.8 | Confident | 82.7 | Confident | 83 Ų | 83 | 64.6 Ų | 64.6 | 39% | 0.388 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 12.9 | 173.3 | -66.5 | -65.5 | 137.3 | 0 | 0 | 113.1 | I1078 L1079 T1080 Y1084 L1102 | I1078-E1082 WeakPolarHBondContact O-CG 3.39Å; I1078-E1082 PolarHBondContact O-N 3.1Å; L1079-E1082 PolarHBondContact O-N 3.11Å; T1080-E1082 VanDerWaalsContact C-N 3.27Å; T1080-E1082 PolarHBondContact O-N 3.36Å; E1082-Y1084 HydrophobicContact CB-CD2 3.84Å; E1082-Y1084 HydrophobicContact CB-CE2 3.92Å; E1082-Y1084 PolarHBondContact O-N 3.3Å; E1082-L1102 HydrophobicContact CG-CD2 4.28Å |
| 1083 | E | 75 | Confident | 82.2 | Confident | 120 Ų | 120 | 61.7 Ų | 61.7 | 56% | 0.561 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 29.4 | 176.4 | -59.8 | 177.9 | -168 | 0 | 0 | 114.4 | R936 T1080 R1081 | R936-E1083 IonicContact CZ-OE1 2.69Å; R936-E1083 IonicContact CZ-OE2 2.62Å; R936-E1083 IonicContact NH1-OE1 3.57Å; R936-E1083 IonicContact NH1-OE2 3.72Å; R936-E1083 PolarHBondContact NH1-OE2 3.48Å; R936-E1083 IonicContact NH2-OE1 2.69Å; R936-E1083 PolarHBondContact NH2-OE1 2.81Å; R936-E1083 IonicContact NH2-OE2 2.7Å; R936-E1083 PolarHBondContact NH2-OE2 3.21Å; T1080-E1083 PolarHBondContact O-N 2.78Å; T1080-E1083 VanDerWaalsContact O-N 3.13Å; R1081-E1083 PolarHBondContact O-N 3.11Å |
| 1084 | Y | 75.5 | Confident | 81.4 | Confident | 56 Ų | 56 | 62.5 Ų | 62.5 | 22% | 0.22 | 30% | 0.301 | C | S | . | . | trans | -66.7 | 141.5 | 171 | -80.8 | -89.7 | 0 | 0 | 0 | 111 | L1062 L1079 E1082 N1088 L1089 V1093 L1102 | L1062-Y1084 WeakPolarHBondContact CD2-O 3.44Å; L1079-Y1084 HydrophobicContact CD2-CD2 4.21Å; L1079-Y1084 PolarHBondContact O-N 3.06Å; E1082-Y1084 HydrophobicContact CB-CD2 3.84Å; E1082-Y1084 HydrophobicContact CB-CE2 3.92Å; E1082-Y1084 PolarHBondContact O-N 3.3Å; Y1084-N1088 HydrophobicContact CD1-CB 4.06Å; Y1084-L1089 HydrophobicContact CD1-CB 4.44Å; Y1084-L1089 HydrophobicContact CD1-CD1 3.92Å; Y1084-L1089 HydrophobicContact CE1-CD1 4.31Å; Y1084-L1089 HydrophobicContact CG-CD1 4.24Å; Y1084-V1093 HydrophobicContact CE1-CG2 4.14Å; Y1084-L1102 HydrophobicContact CE2-CD1 3.62Å; Y1084-L1102 HydrophobicContact CE2-CD2 4.36Å | ||
| 1085 | T | 85.1 | Confident | 81 | Confident | 50 Ų | 50 | 58.7 Ų | 58.7 | 31% | 0.307 | 29% | 0.287 | S | S | . | . | trans | -97.7 | 163.6 | 159.1 | 64.8 | 0 | 0 | 0 | 0 | 110 | D1059 Q1087 N1088 L1089 | D1059-T1085 WeakPolarHBondContact OD2-CA 3.34Å; D1059-T1085 WeakPolarHBondContact OD2-CB 3.3Å; T1085-Q1087 VanDerWaalsContact C-N 3.25Å; T1085-Q1087 PolarHBondContact O-N 3.49Å; T1085-N1088 PolarHBondContact O-N 2.94Å; T1085-N1088 WeakPolarHBondContact OG1-CB 3.45Å; T1085-N1088 PolarHBondContact OG1-N 3.47Å; T1085-N1088 VanDerWaalsContact OG1-N 3.13Å; T1085-N1088 PolarHBondContact OG1-ND2 2.95Å; T1085-N1088 PolarHBondContact OG1-OD1 3.46Å; T1085-L1089 PolarHBondContact O-N 3.29Å | ||
| 1086 | L | 87.7 | Confident | 80.7 | Confident | 13 Ų | 13 | 63.1 Ų | 63.1 | 7% | 0.068 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.6 | -43.5 | 175.9 | -179.9 | 56.4 | 0 | 0 | 0 | 111.2 | D1059 E1061 L1062 W1065 L1089 L1090 | D1059-L1086 PolarHBondContact OD2-N 2.93Å; E1061-L1086 HydrophobicContact CB-CD2 4.41Å; E1061-L1086 HydrophobicContact CG-CD2 3.8Å; L1062-L1086 HydrophobicContact CB-CB 4.13Å; L1062-L1086 HydrophobicContact CD1-CD1 4.22Å; W1065-L1086 HydrophobicContact CB-CD1 3.72Å; W1065-L1086 HydrophobicContact CB-CD2 3.96Å; W1065-L1086 HydrophobicContact CB-CG 4.49Å; W1065-L1086 HydrophobicContact CD2-CD1 3.54Å; W1065-L1086 HydrophobicContact CE3-CD1 3.87Å; W1065-L1086 HydrophobicContact CG-CD1 3.47Å; W1065-L1086 VanDerWaalsContact CG-CD1 3.47Å; W1065-L1086 HydrophobicContact CG-CD2 4.11Å; W1065-L1086 HydrophobicContact CG-CG 4.47Å; L1086-L1089 PolarHBondContact O-N 3.36Å; L1086-L1090 HydrophobicContact CD1-CD1 3.79Å; L1086-L1090 HydrophobicContact CD1-CG 3.98Å; L1086-L1090 HydrophobicContact CD2-CD1 4.49Å; L1086-L1090 HydrophobicContact CG-CD1 3.83Å; L1086-L1090 HydrophobicContact CG-CG 4.4Å; L1086-L1090 WeakPolarHBondContact O-CB 3.36Å; L1086-L1090 VanDerWaalsContact O-CG 3.32Å; L1086-L1090 WeakPolarHBondContact O-CG 3.26Å; L1086-L1090 PolarHBondContact O-N 2.92Å |
| 1087 | Q | 83.3 | Confident | 80 | Confident | 97 Ų | 97 | 66.8 Ų | 66.8 | 45% | 0.453 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | 177.6 | -161.4 | 69.6 | 5.2 | 0 | 0 | 112 | T1085 L1089 L1090 E1091 | T1085-Q1087 VanDerWaalsContact C-N 3.25Å; T1085-Q1087 PolarHBondContact O-N 3.49Å; Q1087-L1089 VanDerWaalsContact C-N 3.3Å; Q1087-L1089 PolarHBondContact O-N 3.27Å; Q1087-L1090 PolarHBondContact O-N 3.04Å; Q1087-E1091 HydrophobicContact CG-CG 4.45Å; Q1087-E1091 WeakPolarHBondContact CG-OE2 3.28Å; Q1087-E1091 PolarHBondContact NE2-OE1 3.03Å; Q1087-E1091 PolarHBondContact NE2-OE2 3.03Å; Q1087-E1091 WeakPolarHBondContact O-CB 3.45Å; Q1087-E1091 PolarHBondContact O-N 3.26Å |
| 1088 | N | 80.4 | Confident | 79.5 | Confident | 65 Ų | 65 | 64.2 Ų | 64.2 | 35% | 0.348 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.2 | -41.8 | 176.2 | -68.3 | -8.5 | 0 | 0 | 0 | 111 | Y1084 T1085 M1092 | Y1084-N1088 HydrophobicContact CD1-CB 4.06Å; T1085-N1088 PolarHBondContact O-N 2.94Å; T1085-N1088 WeakPolarHBondContact OG1-CB 3.45Å; T1085-N1088 PolarHBondContact OG1-N 3.47Å; T1085-N1088 VanDerWaalsContact OG1-N 3.13Å; T1085-N1088 PolarHBondContact OG1-ND2 2.95Å; T1085-N1088 PolarHBondContact OG1-OD1 3.46Å; N1088-M1092 WeakPolarHBondContact O-CA 3.45Å; N1088-M1092 VanDerWaalsContact O-CB 3.28Å; N1088-M1092 WeakPolarHBondContact O-CB 3.47Å; N1088-M1092 PolarHBondContact O-N 3.13Å |
| 1089 | L | 84.4 | Confident | 79.4 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.8 | -40.6 | 178.9 | -160.1 | 79.2 | 0 | 0 | 0 | 112 | L1062 W1065 L1066 L1079 Y1084 T1085 L1086 Q1087 V1093 L1099 I1112 I1116 | L1062-L1089 HydrophobicContact CD1-CB 4.31Å; L1062-L1089 HydrophobicContact CD1-CD2 3.78Å; W1065-L1089 HydrophobicContact CZ3-CD2 3.95Å; L1066-L1089 HydrophobicContact CD2-CD2 4.24Å; L1079-L1089 HydrophobicContact CD1-CD1 4.46Å; L1079-L1089 HydrophobicContact CD1-CD2 4.34Å; L1079-L1089 HydrophobicContact CD2-CD1 3.72Å; Y1084-L1089 HydrophobicContact CD1-CB 4.44Å; Y1084-L1089 HydrophobicContact CD1-CD1 3.92Å; Y1084-L1089 HydrophobicContact CE1-CD1 4.31Å; Y1084-L1089 HydrophobicContact CG-CD1 4.24Å; T1085-L1089 PolarHBondContact O-N 3.29Å; L1086-L1089 PolarHBondContact O-N 3.36Å; Q1087-L1089 VanDerWaalsContact C-N 3.3Å; Q1087-L1089 PolarHBondContact O-N 3.27Å; L1089-V1093 HydrophobicContact CD1-CG2 3.92Å; L1089-V1093 HydrophobicContact CG-CG2 4.39Å; L1089-V1093 WeakPolarHBondContact O-CG2 3.44Å; L1089-L1099 HydrophobicContact CD1-CD2 4.11Å; L1089-I1112 HydrophobicContact CD2-CG2 3.91Å; L1089-I1116 HydrophobicContact CG-CD1 4.35Å; L1089-I1116 WeakPolarHBondContact O-CD1 3.46Å |
| 1090 | L | 86.6 | Confident | 79 | Confident | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.026 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -76.6 | -31.2 | -178.3 | -70.8 | 175.6 | 0 | 0 | 0 | 114 | W1065 L1086 Q1087 I1116 H1119 R1120 | W1065-L1090 HydrophobicContact CH2-CD2 4.05Å; W1065-L1090 HydrophobicContact CZ2-CD2 3.65Å; L1086-L1090 HydrophobicContact CD1-CD1 3.79Å; L1086-L1090 HydrophobicContact CD1-CG 3.98Å; L1086-L1090 HydrophobicContact CD2-CD1 4.49Å; L1086-L1090 HydrophobicContact CG-CD1 3.83Å; L1086-L1090 HydrophobicContact CG-CG 4.4Å; L1086-L1090 WeakPolarHBondContact O-CB 3.36Å; L1086-L1090 VanDerWaalsContact O-CG 3.32Å; L1086-L1090 WeakPolarHBondContact O-CG 3.26Å; L1086-L1090 PolarHBondContact O-N 2.92Å; Q1087-L1090 PolarHBondContact O-N 3.04Å; L1090-I1116 HydrophobicContact CD2-CG1 4.17Å; L1090-H1119 HydrophobicContact CD2-CB 3.95Å; L1090-R1120 VanDerWaalsContact O-CZ 3.23Å; L1090-R1120 PolarHBondContact O-NE 3.46Å; L1090-R1120 PolarHBondContact O-NH2 3.42Å |
| 1091 | E | 78.5 | Confident | 78.8 | Confident | 118 Ų | 118 | 71.4 Ų | 71.4 | 55% | 0.551 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -106.2 | -37.5 | -174.8 | -64.9 | -171.1 | 142.6 | 0 | 0 | 113.8 | Q1087 R1120 | Q1087-E1091 HydrophobicContact CG-CG 4.45Å; Q1087-E1091 WeakPolarHBondContact CG-OE2 3.28Å; Q1087-E1091 PolarHBondContact NE2-OE1 3.03Å; Q1087-E1091 PolarHBondContact NE2-OE2 3.03Å; Q1087-E1091 WeakPolarHBondContact O-CB 3.45Å; Q1087-E1091 PolarHBondContact O-N 3.26Å; E1091-R1120 VanDerWaalsContact C-NH2 3.28Å; E1091-R1120 PolarHBondContact O-NH2 3.11Å; E1091-R1120 VanDerWaalsContact O-NH2 3.11Å |
| 1092 | M | 72 | Confident | 78.6 | Confident | 132 Ų | 132 | 63.4 Ų | 63.4 | 65% | 0.65 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -95.8 | -21.2 | -171 | -62.1 | -155.3 | 66.8 | 0 | 0 | 115.3 | N1088 T1094 | N1088-M1092 WeakPolarHBondContact O-CA 3.45Å; N1088-M1092 VanDerWaalsContact O-CB 3.28Å; N1088-M1092 WeakPolarHBondContact O-CB 3.47Å; N1088-M1092 PolarHBondContact O-N 3.13Å; M1092-T1094 PolarHBondContact O-N 3.02Å |
| 1093 | V | 77.3 | Confident | 78.6 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | trans | -71.7 | 114 | 174.1 | -179.6 | 0 | 0 | 0 | 0 | 108.7 | Y1084 L1089 S1095 E1098 L1099 W1113 I1116 R1120 | Y1084-V1093 HydrophobicContact CE1-CG2 4.14Å; L1089-V1093 HydrophobicContact CD1-CG2 3.92Å; L1089-V1093 HydrophobicContact CG-CG2 4.39Å; L1089-V1093 WeakPolarHBondContact O-CG2 3.44Å; V1093-S1095 VanDerWaalsContact CG1-O 3.31Å; V1093-S1095 WeakPolarHBondContact CG1-O 3.47Å; V1093-E1098 VanDerWaalsContact CA-OE2 3.28Å; V1093-E1098 WeakPolarHBondContact CA-OE2 3.41Å; V1093-E1098 HydrophobicContact CG1-CB 4.18Å; V1093-L1099 HydrophobicContact CG1-CD2 4.11Å; V1093-L1099 HydrophobicContact CG1-CG 3.99Å; V1093-L1099 HydrophobicContact CG2-CD2 4.38Å; V1093-W1113 HydrophobicContact CB-CZ3 4.47Å; V1093-W1113 HydrophobicContact CG1-CE3 4.19Å; V1093-W1113 HydrophobicContact CG1-CZ3 3.9Å; V1093-W1113 WeakPolarHBondContact O-CZ3 3.42Å; V1093-I1116 HydrophobicContact CB-CD1 4.21Å; V1093-I1116 HydrophobicContact CG1-CD1 4.29Å; V1093-R1120 VanDerWaalsContact O-CZ 3.32Å; V1093-R1120 PolarHBondContact O-NH1 3.32Å; V1093-R1120 PolarHBondContact O-NH2 3.48Å | ||
| 1094 | T | 74.2 | Confident | 78.9 | Confident | 103 Ų | 103 | 56.2 Ų | 56.2 | 63% | 0.632 | 29% | 0.292 | S | S | * | . | trans | -96.3 | -15.1 | -173.2 | 64.4 | 0 | 0 | 0 | 0 | 114.5 | M1092 E1098 W1113 | M1092-T1094 PolarHBondContact O-N 3.02Å; T1094-E1098 WeakPolarHBondContact CA-OE1 3.22Å; T1094-E1098 VanDerWaalsContact N-CD 3.34Å; T1094-E1098 PolarHBondContact N-OE1 3.24Å; T1094-E1098 VanDerWaalsContact N-OE1 3.08Å; T1094-E1098 PolarHBondContact N-OE2 2.85Å; T1094-E1098 PolarHBondContact OG1-OE1 3.11Å; T1094-W1113 WeakPolarHBondContact O-CH2 3.32Å | ||
| 1095 | S | 77.7 | Confident | 79.1 | Confident | 34 Ų | 34 | 62 Ų | 62 | 24% | 0.238 | 31% | 0.313 | C | S | . | . | trans | -146.7 | 160.3 | -178.7 | 64.2 | 0 | 0 | 0 | 0 | 112.2 | V1093 E1097 E1098 | V1093-S1095 VanDerWaalsContact CG1-O 3.31Å; V1093-S1095 WeakPolarHBondContact CG1-O 3.47Å; S1095-E1097 PolarHBondContact O-N 3.06Å; S1095-E1098 WeakPolarHBondContact CB-OE1 3.43Å; S1095-E1098 PolarHBondContact N-OE1 3.04Å; S1095-E1098 WeakPolarHBondContact OG-CG 3.16Å; S1095-E1098 PolarHBondContact OG-N 2.71Å; S1095-E1098 PolarHBondContact OG-OE1 2.72Å | ||
| 1096 | R | 82.1 | Confident | 78.5 | Confident | 93 Ų | 93 | 61.5 Ų | 61.5 | 35% | 0.351 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.8 | -32.6 | 169.9 | -176.3 | -166.7 | 61.9 | 174.4 | -1 | 111.1 | E1098 L1099 L1100 C1110 W1113 | R1096-E1098 VanDerWaalsContact C-N 3.25Å; R1096-E1098 PolarHBondContact O-N 3.43Å; R1096-L1099 WeakPolarHBondContact O-CB 3.45Å; R1096-L1099 PolarHBondContact O-N 3.08Å; R1096-L1100 PolarHBondContact O-N 3.43Å; R1096-C1110 VanDerWaalsContact CD-SG 3.56Å; R1096-C1110 PolarHBondContact NH1-SG 3.12Å; R1096-W1113 HydrophobicContact CB-CB 4.14Å; R1096-W1113 HydrophobicContact CB-CD2 4.19Å; R1096-W1113 HydrophobicContact CB-CG 3.78Å; R1096-W1113 HydrophobicContact CG-CB 4.16Å; R1096-W1113 HydrophobicContact CG-CG 4.32Å |
| 1097 | E | 73.9 | Confident | 78 | Confident | 80 Ų | 80 | 63.9 Ų | 63.9 | 37% | 0.374 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.6 | -28.8 | -176.9 | -76.6 | 54.4 | -128.1 | 0 | 0 | 112.3 | S1095 L1100 Q1101 | S1095-E1097 PolarHBondContact O-N 3.06Å; E1097-L1100 WeakPolarHBondContact O-CB 3.27Å; E1097-L1100 PolarHBondContact O-N 3.38Å; E1097-Q1101 VanDerWaalsContact O-CG 3.31Å; E1097-Q1101 WeakPolarHBondContact O-CG 3.47Å; E1097-Q1101 PolarHBondContact O-N 2.92Å |
| 1098 | E | 75.5 | Confident | 78.1 | Confident | 37 Ų | 37 | 60.4 Ų | 60.4 | 17% | 0.173 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 168.9 | -74.7 | 153.9 | -115.4 | 0 | 0 | 112.4 | V1093 T1094 S1095 R1096 L1100 Q1101 L1102 | V1093-E1098 VanDerWaalsContact CA-OE2 3.28Å; V1093-E1098 WeakPolarHBondContact CA-OE2 3.41Å; V1093-E1098 HydrophobicContact CG1-CB 4.18Å; T1094-E1098 WeakPolarHBondContact CA-OE1 3.22Å; T1094-E1098 VanDerWaalsContact N-CD 3.34Å; T1094-E1098 PolarHBondContact N-OE1 3.24Å; T1094-E1098 VanDerWaalsContact N-OE1 3.08Å; T1094-E1098 PolarHBondContact N-OE2 2.85Å; T1094-E1098 PolarHBondContact OG1-OE1 3.11Å; S1095-E1098 WeakPolarHBondContact CB-OE1 3.43Å; S1095-E1098 PolarHBondContact N-OE1 3.04Å; S1095-E1098 WeakPolarHBondContact OG-CG 3.16Å; S1095-E1098 PolarHBondContact OG-N 2.71Å; S1095-E1098 PolarHBondContact OG-OE1 2.72Å; R1096-E1098 VanDerWaalsContact C-N 3.25Å; R1096-E1098 PolarHBondContact O-N 3.43Å; E1098-L1100 VanDerWaalsContact C-N 3.32Å; E1098-L1100 PolarHBondContact O-N 2.85Å; E1098-Q1101 WeakPolarHBondContact O-CB 3.4Å; E1098-Q1101 PolarHBondContact O-N 3.35Å; E1098-L1102 PolarHBondContact O-N 2.97Å |
| 1099 | L | 81.4 | Confident | 78.3 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.3 | -36 | 177.2 | -61 | 172.2 | 0 | 0 | 0 | 111.6 | L1089 V1093 R1096 Q1101 L1102 I1104 I1112 W1113 I1116 | L1089-L1099 HydrophobicContact CD1-CD2 4.11Å; V1093-L1099 HydrophobicContact CG1-CD2 4.11Å; V1093-L1099 HydrophobicContact CG1-CG 3.99Å; V1093-L1099 HydrophobicContact CG2-CD2 4.38Å; R1096-L1099 WeakPolarHBondContact O-CB 3.45Å; R1096-L1099 PolarHBondContact O-N 3.08Å; L1099-Q1101 VanDerWaalsContact C-N 3.33Å; L1099-L1102 PolarHBondContact O-N 2.95Å; L1099-I1104 HydrophobicContact CB-CD1 4.25Å; L1099-I1104 HydrophobicContact CD2-CD1 4.13Å; L1099-I1104 VanDerWaalsContact O-CB 3.32Å; L1099-I1104 WeakPolarHBondContact O-CB 3.31Å; L1099-I1104 PolarHBondContact O-N 3.23Å; L1099-I1112 HydrophobicContact CD1-CB 3.91Å; L1099-I1112 HydrophobicContact CD1-CG2 3.68Å; L1099-I1112 HydrophobicContact CD2-CG2 4.32Å; L1099-W1113 HydrophobicContact CD1-CB 4.27Å; L1099-I1116 HydrophobicContact CD1-CD1 4.44Å |
| 1100 | L | 73.3 | Confident | 78.2 | Confident | 67 Ų | 67 | 59.9 Ų | 59.9 | 35% | 0.351 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64 | -38.2 | 173.3 | -67.2 | 173.8 | 0 | 0 | 0 | 111.6 | R1096 E1097 E1098 L1102 G1103 S1109 | R1096-L1100 PolarHBondContact O-N 3.43Å; E1097-L1100 WeakPolarHBondContact O-CB 3.27Å; E1097-L1100 PolarHBondContact O-N 3.38Å; E1098-L1100 VanDerWaalsContact C-N 3.32Å; E1098-L1100 PolarHBondContact O-N 2.85Å; L1100-L1102 VanDerWaalsContact C-N 3.26Å; L1100-L1102 PolarHBondContact O-N 2.67Å; L1100-G1103 PolarHBondContact O-N 3.31Å; L1100-S1109 VanDerWaalsContact CD2-OG 3.29Å; L1100-S1109 WeakPolarHBondContact CD2-OG 3.22Å |
| 1101 | Q | 75.3 | Confident | 78.3 | Confident | 135 Ų | 135 | 64.6 Ų | 64.6 | 63% | 0.631 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -67.7 | -22.7 | 177.9 | -72.4 | 171.8 | 27.4 | 0 | 0 | 113.5 | E1097 E1098 L1099 G1103 | E1097-Q1101 VanDerWaalsContact O-CG 3.31Å; E1097-Q1101 WeakPolarHBondContact O-CG 3.47Å; E1097-Q1101 PolarHBondContact O-N 2.92Å; E1098-Q1101 WeakPolarHBondContact O-CB 3.4Å; E1098-Q1101 PolarHBondContact O-N 3.35Å; L1099-Q1101 VanDerWaalsContact C-N 3.33Å; Q1101-G1103 PolarHBondContact O-N 3.13Å |
| 1102 | L | 75.7 | Confident | 78.8 | Confident | 42 Ų | 42 | 59 Ų | 59 | 22% | 0.22 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -3.6 | 170.3 | -59 | 175.1 | 0 | 0 | 0 | 113.2 | I1078 L1079 E1082 Y1084 E1098 L1099 L1100 I1104 | I1078-L1102 HydrophobicContact CG2-CB 4.23Å; I1078-L1102 WeakPolarHBondContact CG2-O 3.39Å; L1079-L1102 HydrophobicContact CD2-CD1 3.92Å; E1082-L1102 HydrophobicContact CG-CD2 4.28Å; Y1084-L1102 HydrophobicContact CE2-CD1 3.62Å; Y1084-L1102 HydrophobicContact CE2-CD2 4.36Å; E1098-L1102 PolarHBondContact O-N 2.97Å; L1099-L1102 PolarHBondContact O-N 2.95Å; L1100-L1102 VanDerWaalsContact C-N 3.26Å; L1100-L1102 PolarHBondContact O-N 2.67Å; L1102-I1104 HydrophobicContact CB-CD1 4.34Å; L1102-I1104 HydrophobicContact CB-CG1 4.33Å; L1102-I1104 HydrophobicContact CD1-CD1 4.42Å |
| 1103 | G | 75.1 | Confident | 79.8 | Confident | 50 Ų | 50 | 55.5 Ų | 55.5 | 52% | 0.515 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | 8.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1100 Q1101 | L1100-G1103 PolarHBondContact O-N 3.31Å; Q1101-G1103 PolarHBondContact O-N 3.13Å |
| 1104 | I | 81.1 | Confident | 80.4 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.015 | 33% | 0.327 | C | S | . | . | trans | -74.4 | 127.9 | 177.2 | -56 | 169.1 | 0 | 0 | 0 | 109.2 | I1078 L1079 L1099 L1102 V1108 I1112 | I1078-I1104 HydrophobicContact CG2-CG1 4.04Å; L1079-I1104 HydrophobicContact CD1-CD1 4Å; L1079-I1104 HydrophobicContact CD2-CD1 3.58Å; L1079-I1104 HydrophobicContact CG-CD1 3.67Å; L1099-I1104 HydrophobicContact CB-CD1 4.25Å; L1099-I1104 HydrophobicContact CD2-CD1 4.13Å; L1099-I1104 VanDerWaalsContact O-CB 3.32Å; L1099-I1104 WeakPolarHBondContact O-CB 3.31Å; L1099-I1104 PolarHBondContact O-N 3.23Å; L1102-I1104 HydrophobicContact CB-CD1 4.34Å; L1102-I1104 HydrophobicContact CB-CG1 4.33Å; L1102-I1104 HydrophobicContact CD1-CD1 4.42Å; I1104-V1108 HydrophobicContact CG2-CB 3.78Å; I1104-V1108 HydrophobicContact CG2-CG1 3.76Å; I1104-I1112 HydrophobicContact CD1-CD1 4.35Å; I1104-I1112 HydrophobicContact CG2-CD1 4.19Å | ||
| 1105 | R | 80.2 | Confident | 81.2 | Confident | 178 Ų | 178 | 59.2 Ų | 59.2 | 67% | 0.672 | 31% | 0.31 | S | S | * | . | trans | -62.1 | 146.6 | -175.1 | -62.6 | -178.8 | -177.9 | -175.9 | 0.7 | 112.1 | G1107 V1108 S1109 | R1105-G1107 PolarHBondContact O-N 2.8Å; R1105-G1107 VanDerWaalsContact O-N 3.15Å; R1105-V1108 HydrophobicContact CB-CG2 4.3Å; R1105-V1108 WeakPolarHBondContact O-CA 3.32Å; R1105-V1108 WeakPolarHBondContact O-CB 3.36Å; R1105-V1108 PolarHBondContact O-N 2.91Å; R1105-S1109 PolarHBondContact O-N 3.28Å | ||
| 1106 | G | 73.5 | Confident | 81.8 | Confident | 39 Ų | 39 | 57.6 Ų | 57.6 | 40% | 0.402 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -52.1 | -41.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | V1108 S1109 C1110 | G1106-V1108 VanDerWaalsContact C-N 3.32Å; G1106-V1108 PolarHBondContact O-N 3.34Å; G1106-S1109 WeakPolarHBondContact CA-OG 3.45Å; G1106-S1109 PolarHBondContact O-OG 3.19Å; G1106-C1110 WeakPolarHBondContact O-CB 3.21Å; G1106-C1110 PolarHBondContact O-N 3.23Å; G1106-C1110 VanDerWaalsContact O-N 3.09Å; G1106-C1110 PolarHBondContact O-SG 2.99Å |
| 1107 | G | 77 | Confident | 82 | Confident | 62 Ų | 62 | 55.6 Ų | 55.6 | 64% | 0.639 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -66.3 | -34.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1105 R1111 | R1105-G1107 PolarHBondContact O-N 2.8Å; R1105-G1107 VanDerWaalsContact O-N 3.15Å; G1107-R1111 PolarHBondContact O-N 3.12Å |
| 1108 | V | 84.3 | Confident | 82.6 | Confident | 24 Ų | 24 | 56.2 Ų | 56.2 | 15% | 0.145 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -77.2 | -43.9 | -179.3 | -171.6 | 0 | 0 | 0 | 0 | 110.4 | I1071 D1072 I1104 R1105 G1106 C1110 R1111 I1112 | I1071-V1108 HydrophobicContact CD1-CG1 3.67Å; I1071-V1108 HydrophobicContact CG2-CG1 3.72Å; D1072-V1108 WeakPolarHBondContact OD2-CG2 3.42Å; I1104-V1108 HydrophobicContact CG2-CB 3.78Å; I1104-V1108 HydrophobicContact CG2-CG1 3.76Å; R1105-V1108 HydrophobicContact CB-CG2 4.3Å; R1105-V1108 WeakPolarHBondContact O-CA 3.32Å; R1105-V1108 WeakPolarHBondContact O-CB 3.36Å; R1105-V1108 PolarHBondContact O-N 2.91Å; G1106-V1108 VanDerWaalsContact C-N 3.32Å; G1106-V1108 PolarHBondContact O-N 3.34Å; V1108-C1110 VanDerWaalsContact C-N 3.29Å; V1108-C1110 PolarHBondContact O-N 3.26Å; V1108-R1111 WeakPolarHBondContact O-CB 3.35Å; V1108-R1111 PolarHBondContact O-N 3.37Å; V1108-I1112 HydrophobicContact CG1-CD1 4.09Å; V1108-I1112 WeakPolarHBondContact O-CG1 3.44Å; V1108-I1112 PolarHBondContact O-N 3.24Å |
| 1109 | S | 86.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.8 | -38 | 174.6 | 69.6 | 0 | 0 | 0 | 0 | 111.8 | L1100 R1105 G1106 R1111 W1113 | L1100-S1109 VanDerWaalsContact CD2-OG 3.29Å; L1100-S1109 WeakPolarHBondContact CD2-OG 3.22Å; R1105-S1109 PolarHBondContact O-N 3.28Å; G1106-S1109 WeakPolarHBondContact CA-OG 3.45Å; G1106-S1109 PolarHBondContact O-OG 3.19Å; S1109-R1111 PolarHBondContact O-N 2.92Å; S1109-W1113 WeakPolarHBondContact O-CB 3.03Å; S1109-W1113 PolarHBondContact O-N 3.21Å |
| 1110 | C | 81.2 | Confident | 83.4 | Confident | 54 Ų | 54 | 62 Ų | 62 | 37% | 0.365 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.1 | -38.6 | 172.1 | -70.6 | 0 | 0 | 0 | 0 | 113 | R1096 G1106 V1108 K1114 | R1096-C1110 VanDerWaalsContact CD-SG 3.56Å; R1096-C1110 PolarHBondContact NH1-SG 3.12Å; G1106-C1110 WeakPolarHBondContact O-CB 3.21Å; G1106-C1110 PolarHBondContact O-N 3.23Å; G1106-C1110 VanDerWaalsContact O-N 3.09Å; G1106-C1110 PolarHBondContact O-SG 2.99Å; V1108-C1110 VanDerWaalsContact C-N 3.29Å; V1108-C1110 PolarHBondContact O-N 3.26Å; C1110-K1114 VanDerWaalsContact O-CB 3.26Å; C1110-K1114 WeakPolarHBondContact O-CB 3.36Å; C1110-K1114 PolarHBondContact O-N 3.35Å |
| 1111 | R | 89 | Confident | 83.6 | Confident | 104 Ų | 104 | 65.5 Ų | 65.5 | 39% | 0.392 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68.6 | -47.2 | 179.8 | -167.8 | 177.1 | -64.8 | -160.8 | -15.3 | 111.3 | I1069 E1070 I1071 G1107 V1108 S1109 K1114 H1115 | I1069-R1111 WeakPolarHBondContact O-CD 3.17Å; E1070-R1111 PolarHBondContact O-NH1 3.14Å; E1070-R1111 IonicContact OE2-CZ 2.7Å; E1070-R1111 IonicContact OE2-NH1 3.54Å; E1070-R1111 PolarHBondContact OE2-NH1 3.02Å; E1070-R1111 VanDerWaalsContact OE2-NH1 3.09Å; I1071-R1111 HydrophobicContact CD1-CB 4.06Å; I1071-R1111 HydrophobicContact CD1-CG 4.09Å; G1107-R1111 PolarHBondContact O-N 3.12Å; V1108-R1111 WeakPolarHBondContact O-CB 3.35Å; V1108-R1111 PolarHBondContact O-N 3.37Å; S1109-R1111 PolarHBondContact O-N 2.92Å; R1111-K1114 PolarHBondContact O-N 3.29Å; R1111-H1115 PolarHBondContact O-CD2 2.97Å; R1111-H1115 PolarHBondContact O-N 3.32Å |
| 1112 | I | 89.7 | Confident | 83.7 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.9 | -50.3 | 175.1 | -63.3 | 161.8 | 0 | 0 | 0 | 110.3 | W1065 L1066 I1069 I1071 L1079 L1089 L1099 I1104 V1108 K1114 H1115 I1116 | W1065-I1112 HydrophobicContact CZ3-CG2 4.47Å; L1066-I1112 HydrophobicContact CD2-CD1 4.35Å; L1066-I1112 HydrophobicContact CD2-CG1 4.19Å; I1069-I1112 HydrophobicContact CD1-CG1 4.2Å; I1071-I1112 HydrophobicContact CD1-CD1 4.11Å; I1071-I1112 HydrophobicContact CD1-CG1 3.55Å; I1071-I1112 HydrophobicContact CG1-CD1 4.46Å; I1071-I1112 HydrophobicContact CG1-CG1 3.98Å; I1071-I1112 HydrophobicContact CG2-CD1 4.44Å; L1079-I1112 HydrophobicContact CD1-CD1 3.98Å; L1089-I1112 HydrophobicContact CD2-CG2 3.91Å; L1099-I1112 HydrophobicContact CD1-CB 3.91Å; L1099-I1112 HydrophobicContact CD1-CG2 3.68Å; L1099-I1112 HydrophobicContact CD2-CG2 4.32Å; I1104-I1112 HydrophobicContact CD1-CD1 4.35Å; I1104-I1112 HydrophobicContact CG2-CD1 4.19Å; V1108-I1112 HydrophobicContact CG1-CD1 4.09Å; V1108-I1112 WeakPolarHBondContact O-CG1 3.44Å; V1108-I1112 PolarHBondContact O-N 3.24Å; I1112-K1114 VanDerWaalsContact C-N 3.34Å; I1112-K1114 PolarHBondContact O-N 3.45Å; I1112-H1115 PolarHBondContact O-N 3.46Å; I1112-I1116 HydrophobicContact CG2-CD1 3.79Å; I1112-I1116 HydrophobicContact CG2-CG1 4.38Å; I1112-I1116 WeakPolarHBondContact O-CG1 3.48Å; I1112-I1116 PolarHBondContact O-N 3.13Å |
| 1113 | W | 91.6 | Very high | 83.6 | Confident | 59 Ų | 59 | 67.2 Ų | 67.2 | 22% | 0.223 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.6 | -42 | -179.4 | -172.9 | -117.3 | 0 | 0 | 0 | 112.8 | V1093 T1094 R1096 L1099 S1109 H1115 I1116 V1117 | V1093-W1113 HydrophobicContact CB-CZ3 4.47Å; V1093-W1113 HydrophobicContact CG1-CE3 4.19Å; V1093-W1113 HydrophobicContact CG1-CZ3 3.9Å; V1093-W1113 WeakPolarHBondContact O-CZ3 3.42Å; T1094-W1113 WeakPolarHBondContact O-CH2 3.32Å; R1096-W1113 HydrophobicContact CB-CB 4.14Å; R1096-W1113 HydrophobicContact CB-CD2 4.19Å; R1096-W1113 HydrophobicContact CB-CG 3.78Å; R1096-W1113 HydrophobicContact CG-CB 4.16Å; R1096-W1113 HydrophobicContact CG-CG 4.32Å; L1099-W1113 HydrophobicContact CD1-CB 4.27Å; S1109-W1113 WeakPolarHBondContact O-CB 3.03Å; S1109-W1113 PolarHBondContact O-N 3.21Å; W1113-H1115 VanDerWaalsContact C-N 3.27Å; W1113-H1115 PolarHBondContact O-N 3.27Å; W1113-I1116 HydrophobicContact CE3-CB 4.26Å; W1113-I1116 HydrophobicContact CE3-CD1 3.95Å; W1113-I1116 HydrophobicContact CE3-CG2 4.26Å; W1113-I1116 HydrophobicContact CZ3-CB 4.44Å; W1113-I1116 HydrophobicContact CZ3-CD1 4.31Å; W1113-I1116 HydrophobicContact CZ3-CG2 3.93Å; W1113-I1116 PolarHBondContact O-N 3.34Å; W1113-V1117 HydrophobicContact CD2-CG2 4.24Å; W1113-V1117 HydrophobicContact CZ2-CG2 3.94Å; W1113-V1117 WeakPolarHBondContact O-CG2 3.46Å; W1113-V1117 PolarHBondContact O-N 3.25Å |
| 1114 | K | 90.9 | Very high | 83.1 | Confident | 123 Ų | 123 | 68.1 Ų | 68.1 | 54% | 0.535 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -56.1 | -41.3 | 174.1 | -179.2 | -178.3 | 177.2 | -175.2 | 0 | 111.7 | C1110 R1111 I1112 M1118 | C1110-K1114 VanDerWaalsContact O-CB 3.26Å; C1110-K1114 WeakPolarHBondContact O-CB 3.36Å; C1110-K1114 PolarHBondContact O-N 3.35Å; R1111-K1114 PolarHBondContact O-N 3.29Å; I1112-K1114 VanDerWaalsContact C-N 3.34Å; I1112-K1114 PolarHBondContact O-N 3.45Å; K1114-M1118 HydrophobicContact CG-CE 4.19Å; K1114-M1118 HydrophobicContact CG-SD 4.46Å; K1114-M1118 WeakPolarHBondContact O-CB 3.35Å; K1114-M1118 VanDerWaalsContact O-CG 3.3Å; K1114-M1118 WeakPolarHBondContact O-CG 3.5Å; K1114-M1118 PolarHBondContact O-N 3.25Å |
| 1115 | H | 91.2 | Very high | 82.3 | Confident | 59 Ų | 59 | 75.9 Ų | 75.9 | 27% | 0.273 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -76.7 | -34.1 | 179.3 | -73.8 | -62.2 | 0 | 0 | 0 | 113.7 | W1065 I1069 R1111 I1112 W1113 M1118 H1119 | W1065-H1115 HydrophobicContact CH2-CB 3.77Å; W1065-H1115 HydrophobicContact CZ2-CB 3.68Å; I1069-H1115 HydrophobicContact CD1-CB 4.32Å; I1069-H1115 HydrophobicContact CG2-CB 4.44Å; R1111-H1115 PolarHBondContact O-CD2 2.97Å; R1111-H1115 PolarHBondContact O-N 3.32Å; I1112-H1115 PolarHBondContact O-N 3.46Å; W1113-H1115 VanDerWaalsContact C-N 3.27Å; W1113-H1115 PolarHBondContact O-N 3.27Å; H1115-M1118 PolarHBondContact O-N 3.16Å; H1115-H1119 WeakPolarHBondContact O-CB 3.33Å; H1115-H1119 PolarHBondContact O-N 3.48Å |
| 1116 | I | 90.4 | Very high | 81 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -58 | -50.4 | 168.9 | -66.8 | 165.1 | 0 | 0 | 0 | 110.1 | L1089 L1090 V1093 L1099 I1112 W1113 M1118 H1119 R1120 | L1089-I1116 HydrophobicContact CG-CD1 4.35Å; L1089-I1116 WeakPolarHBondContact O-CD1 3.46Å; L1090-I1116 HydrophobicContact CD2-CG1 4.17Å; V1093-I1116 HydrophobicContact CB-CD1 4.21Å; V1093-I1116 HydrophobicContact CG1-CD1 4.29Å; L1099-I1116 HydrophobicContact CD1-CD1 4.44Å; I1112-I1116 HydrophobicContact CG2-CD1 3.79Å; I1112-I1116 HydrophobicContact CG2-CG1 4.38Å; I1112-I1116 WeakPolarHBondContact O-CG1 3.48Å; I1112-I1116 PolarHBondContact O-N 3.13Å; W1113-I1116 HydrophobicContact CE3-CB 4.26Å; W1113-I1116 HydrophobicContact CE3-CD1 3.95Å; W1113-I1116 HydrophobicContact CE3-CG2 4.26Å; W1113-I1116 HydrophobicContact CZ3-CB 4.44Å; W1113-I1116 HydrophobicContact CZ3-CD1 4.31Å; W1113-I1116 HydrophobicContact CZ3-CG2 3.93Å; W1113-I1116 PolarHBondContact O-N 3.34Å; I1116-M1118 PolarHBondContact O-N 3.46Å; I1116-H1119 PolarHBondContact O-N 3.33Å; I1116-R1120 WeakPolarHBondContact O-CG 3.33Å; I1116-R1120 PolarHBondContact O-N 3.01Å |
| 1117 | V | 86.3 | Confident | 79.4 | Confident | 52 Ų | 52 | 79.1 Ų | 79.1 | 32% | 0.315 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.5 | -39.2 | 178.9 | 174 | 0 | 0 | 0 | 0 | 111.9 | W1113 K1121 | W1113-V1117 HydrophobicContact CD2-CG2 4.24Å; W1113-V1117 HydrophobicContact CZ2-CG2 3.94Å; W1113-V1117 WeakPolarHBondContact O-CG2 3.46Å; W1113-V1117 PolarHBondContact O-N 3.25Å; V1117-K1121 WeakPolarHBondContact O-CB 3.41Å; V1117-K1121 WeakPolarHBondContact O-CG 3.4Å; V1117-K1121 PolarHBondContact O-N 3.29Å |
| 1118 | M | 86.6 | Confident | 79.5 | Confident | 93 Ų | 93 | 80 Ų | 80 | 46% | 0.458 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65 | -39.6 | 174.2 | -78.3 | -179.1 | 173.1 | 0 | 0 | 112.9 | K1114 H1115 I1116 K1121 K1122 | K1114-M1118 HydrophobicContact CG-CE 4.19Å; K1114-M1118 HydrophobicContact CG-SD 4.46Å; K1114-M1118 WeakPolarHBondContact O-CB 3.35Å; K1114-M1118 VanDerWaalsContact O-CG 3.3Å; K1114-M1118 WeakPolarHBondContact O-CG 3.5Å; K1114-M1118 PolarHBondContact O-N 3.25Å; H1115-M1118 PolarHBondContact O-N 3.16Å; I1116-M1118 PolarHBondContact O-N 3.46Å; M1118-K1121 PolarHBondContact O-N 3.43Å; M1118-K1122 PolarHBondContact O-N 3.26Å |
| 1119 | H | 87.2 | Confident | 79.3 | Confident | 79 Ų | 79 | 82.9 Ų | 82.9 | 37% | 0.366 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.3 | -50.3 | 176.5 | -178.2 | 90.5 | 0 | 0 | 0 | 110.8 | L1090 H1115 I1116 K1121 K1122 A1123 | L1090-H1119 HydrophobicContact CD2-CB 3.95Å; H1115-H1119 WeakPolarHBondContact O-CB 3.33Å; H1115-H1119 PolarHBondContact O-N 3.48Å; I1116-H1119 PolarHBondContact O-N 3.33Å; H1119-K1121 VanDerWaalsContact C-N 3.34Å; H1119-K1121 PolarHBondContact O-N 3.41Å; H1119-K1122 PolarHBondContact O-N 3.47Å; H1119-K1122 VanDerWaalsContact O-N 3.1Å; H1119-A1123 PolarHBondContact O-N 3.31Å |
| 1120 | R | 85.1 | Confident | 78.9 | Confident | 80 Ų | 80 | 87.6 Ų | 87.6 | 30% | 0.302 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -58.8 | -41.4 | 176.3 | -68.2 | -179.9 | -173.8 | 167.8 | 7 | 112.6 | L1090 E1091 V1093 I1116 K1122 A1123 A1124 | L1090-R1120 VanDerWaalsContact O-CZ 3.23Å; L1090-R1120 PolarHBondContact O-NE 3.46Å; L1090-R1120 PolarHBondContact O-NH2 3.42Å; E1091-R1120 VanDerWaalsContact C-NH2 3.28Å; E1091-R1120 PolarHBondContact O-NH2 3.11Å; E1091-R1120 VanDerWaalsContact O-NH2 3.11Å; V1093-R1120 VanDerWaalsContact O-CZ 3.32Å; V1093-R1120 PolarHBondContact O-NH1 3.32Å; V1093-R1120 PolarHBondContact O-NH2 3.48Å; I1116-R1120 WeakPolarHBondContact O-CG 3.33Å; I1116-R1120 PolarHBondContact O-N 3.01Å; R1120-K1122 PolarHBondContact O-N 2.97Å; R1120-A1123 PolarHBondContact O-N 3.5Å; R1120-A1124 WeakPolarHBondContact O-CB 3.3Å; R1120-A1124 PolarHBondContact O-N 3.42Å |
| 1121 | K | 78.2 | Confident | 78.8 | Confident | 139 Ų | 139 | 89.5 Ų | 89.5 | 60% | 0.604 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -62.5 | -38.7 | 174.5 | -80.2 | -170.1 | 175.1 | -169.2 | 0 | 113 | V1117 M1118 H1119 H1125 | V1117-K1121 WeakPolarHBondContact O-CB 3.41Å; V1117-K1121 WeakPolarHBondContact O-CG 3.4Å; V1117-K1121 PolarHBondContact O-N 3.29Å; M1118-K1121 PolarHBondContact O-N 3.43Å; H1119-K1121 VanDerWaalsContact C-N 3.34Å; H1119-K1121 PolarHBondContact O-N 3.41Å; K1121-H1125 PolarHBondContact O-N 3.03Å; K1121-H1125 PolarHBondContact O-ND1 3.4Å |
| 1122 | K | 76.9 | Confident | 78.1 | Confident | 165 Ų | 165 | 88.6 Ų | 88.6 | 72% | 0.717 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -68.4 | -42.3 | 175.6 | -78.1 | -173 | 173.6 | -172.6 | 0 | 112.3 | M1118 H1119 R1120 A1124 H1125 A1126 | M1118-K1122 PolarHBondContact O-N 3.26Å; H1119-K1122 PolarHBondContact O-N 3.47Å; H1119-K1122 VanDerWaalsContact O-N 3.1Å; R1120-K1122 PolarHBondContact O-N 2.97Å; K1122-A1124 VanDerWaalsContact C-N 3.28Å; K1122-A1124 PolarHBondContact O-N 3.09Å; K1122-H1125 PolarHBondContact O-N 3.01Å; K1122-H1125 VanDerWaalsContact O-N 3.11Å; K1122-A1126 PolarHBondContact O-N 2.8Å |
| 1123 | A | 73.9 | Confident | 77.4 | Confident | 48 Ų | 48 | 94.5 Ų | 94.5 | 40% | 0.397 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.2 | -40 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | H1119 R1120 H1125 A1126 N1127 | H1119-A1123 PolarHBondContact O-N 3.31Å; R1120-A1123 PolarHBondContact O-N 3.5Å; A1123-H1125 PolarHBondContact O-N 3.47Å; A1123-A1126 PolarHBondContact O-N 3.45Å; A1123-N1127 PolarHBondContact O-N 3.4Å |
| 1124 | A | 64.5 | Low | 76.3 | Confident | 70 Ų | 70 | 97.1 Ų | 97.1 | 58% | 0.579 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | 0.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | R1120 K1122 | R1120-A1124 WeakPolarHBondContact O-CB 3.3Å; R1120-A1124 PolarHBondContact O-N 3.42Å; K1122-A1124 VanDerWaalsContact C-N 3.28Å; K1122-A1124 PolarHBondContact O-N 3.09Å |
| 1125 | H | 63.8 | Low | 75.2 | Confident | 165 Ų | 165 | 95.1 Ų | 95.1 | 76% | 0.764 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.3 | -1.1 | 170 | -70.6 | 70 | 0 | 0 | 0 | 112.5 | K1121 K1122 A1123 | K1121-H1125 PolarHBondContact O-N 3.03Å; K1121-H1125 PolarHBondContact O-ND1 3.4Å; K1122-H1125 PolarHBondContact O-N 3.01Å; K1122-H1125 VanDerWaalsContact O-N 3.11Å; A1123-H1125 PolarHBondContact O-N 3.47Å |
| 1126 | A | 54.2 | Low | 73.9 | Confident | 86 Ų | 86 | 98.1 Ų | 98.1 | 71% | 0.711 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | -11.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | K1122 A1123 | K1122-A1126 PolarHBondContact O-N 2.8Å; A1123-A1126 PolarHBondContact O-N 3.45Å |
| 1127 | N | 39.7 | Very low | 72.4 | Confident | 200 Ų | 200 | 107 Ų | 107 | 100% | 1.07 | 57% | 0.571 | S | S | * | * | trans | -101.6 | 0 | 160.7 | -68 | -27.5 | 0 | 0 | 0 | 109 | A1123 | A1123-N1127 PolarHBondContact O-N 3.4Š|
Retrieved 1,127 of 1,127 residues in 506.2 ms
(Link to these results)