| 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 | 59.5 | Low | 82.6 | Confident | 159 Ų | 159 | 91.3 Ų | 91.3 | 78% | 0.783 | 46% | 0.458 | S | S | * | . | 0 | 117.2 | 0 | -168.2 | 169.6 | -95.6 | 0 | 0 | 106.9 | D5 Q6 I9 | M1-D5 HydrophobicContact CG-CB 3.63Å; M1-Q6 HydrophobicContact CG-CG 3.85Å; M1-Q6 HydrophobicContact SD-CG 3.86Å; M1-I9 HydrophobicContact CE-CD1 3.37Å; M1-I9 HydrophobicContact SD-CD1 3.96Å | |||
| 2 | M | 83 | Confident | 83.3 | Confident | 130 Ų | 130 | 91.6 Ų | 91.6 | 64% | 0.64 | 46% | 0.462 | S | S | * | . | trans | -76.5 | 162.2 | 176.5 | -63.4 | 179.6 | 170 | 0 | 0 | 109.9 | R4 D5 Q6 | M2-R4 VanDerWaalsContact C-N 3.28Å; M2-R4 PolarHBondContact O-N 3.07Å; M2-D5 WeakPolarHBondContact CB-OD2 3.29Å; M2-D5 PolarHBondContact N-OD2 3.13Å; M2-D5 WeakPolarHBondContact O-CB 3.41Å; M2-D5 PolarHBondContact O-N 3.06Å; M2-Q6 PolarHBondContact O-N 3.33Å; M2-Q6 VanDerWaalsContact O-N 3.16Å | ||
| 3 | F | 76.6 | Confident | 83.9 | Confident | 116 Ų | 116 | 96.8 Ų | 96.8 | 51% | 0.509 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -55.7 | -43 | 177.1 | 175.5 | -112.7 | 0 | 0 | 0 | 112.1 | D5 Q6 V7 L656 | F3-D5 VanDerWaalsContact C-N 3.27Å; F3-D5 PolarHBondContact O-N 3.37Å; F3-Q6 WeakPolarHBondContact O-CB 3.45Å; F3-Q6 PolarHBondContact O-N 2.67Å; F3-V7 HydrophobicContact CD1-CG2 4.27Å; F3-V7 HydrophobicContact CD2-CG2 4.31Å; F3-V7 HydrophobicContact CE1-CG2 3.81Å; F3-V7 HydrophobicContact CE2-CG2 3.86Å; F3-V7 HydrophobicContact CZ-CG2 3.58Å; F3-V7 WeakPolarHBondContact O-CG2 3.46Å; F3-V7 PolarHBondContact O-N 3.1Å; F3-L656 HydrophobicContact CD1-CD2 4.39Å |
| 4 | R | 83.6 | Confident | 84.5 | Confident | 149 Ų | 149 | 93.7 Ų | 93.7 | 56% | 0.562 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -52.4 | -43 | 172.7 | -174.6 | -163.9 | 63 | -162.3 | -7.8 | 112.9 | M2 Q6 V7 G8 L656 | M2-R4 VanDerWaalsContact C-N 3.28Å; M2-R4 PolarHBondContact O-N 3.07Å; R4-Q6 VanDerWaalsContact C-N 3.33Å; R4-V7 PolarHBondContact O-N 3.22Å; R4-G8 PolarHBondContact O-N 3.11Å; R4-L656 HydrophobicContact CB-CD2 4.23Å |
| 5 | D | 86.8 | Confident | 85 | Confident | 51 Ų | 51 | 97.2 Ų | 97.2 | 27% | 0.273 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -70.9 | -31.7 | -178.8 | -41.5 | -26.3 | 0 | 0 | 0 | 111.2 | M1 M2 F3 I9 | M1-D5 HydrophobicContact CG-CB 3.63Å; M2-D5 WeakPolarHBondContact CB-OD2 3.29Å; M2-D5 PolarHBondContact N-OD2 3.13Å; M2-D5 WeakPolarHBondContact O-CB 3.41Å; M2-D5 PolarHBondContact O-N 3.06Å; F3-D5 VanDerWaalsContact C-N 3.27Å; F3-D5 PolarHBondContact O-N 3.37Å; D5-I9 WeakPolarHBondContact O-CG1 3.37Å; D5-I9 PolarHBondContact O-N 3.12Å |
| 6 | Q | 81.9 | Confident | 85.4 | Confident | 108 Ų | 108 | 95.1 Ų | 95.1 | 51% | 0.505 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.4 | -40.3 | 173.3 | -62.9 | 178.4 | -34.7 | 0 | 0 | 111.9 | M1 M2 F3 R4 L10 | M1-Q6 HydrophobicContact CG-CG 3.85Å; M1-Q6 HydrophobicContact SD-CG 3.86Å; M2-Q6 PolarHBondContact O-N 3.33Å; M2-Q6 VanDerWaalsContact O-N 3.16Å; F3-Q6 WeakPolarHBondContact O-CB 3.45Å; F3-Q6 PolarHBondContact O-N 2.67Å; R4-Q6 VanDerWaalsContact C-N 3.33Å; Q6-L10 PolarHBondContact O-N 3.49Å; Q6-L10 VanDerWaalsContact O-N 3.15Å |
| 7 | V | 83.6 | Confident | 85.8 | Confident | 56 Ų | 56 | 95.1 Ų | 95.1 | 34% | 0.339 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.8 | -46.9 | 173.3 | 173.6 | 0 | 0 | 0 | 0 | 110.1 | F3 R4 I9 L10 T11 | F3-V7 HydrophobicContact CD1-CG2 4.27Å; F3-V7 HydrophobicContact CD2-CG2 4.31Å; F3-V7 HydrophobicContact CE1-CG2 3.81Å; F3-V7 HydrophobicContact CE2-CG2 3.86Å; F3-V7 HydrophobicContact CZ-CG2 3.58Å; F3-V7 WeakPolarHBondContact O-CG2 3.46Å; F3-V7 PolarHBondContact O-N 3.1Å; R4-V7 PolarHBondContact O-N 3.22Å; V7-I9 PolarHBondContact O-N 3.14Å; V7-L10 WeakPolarHBondContact O-CB 3.2Å; V7-L10 PolarHBondContact O-N 2.82Å; V7-L10 VanDerWaalsContact O-N 3.08Å; V7-T11 WeakPolarHBondContact O-CB 3.21Å; V7-T11 PolarHBondContact O-N 3.1Å; V7-T11 PolarHBondContact O-OG1 2.91Å |
| 8 | G | 86.6 | Confident | 86.1 | Confident | 28 Ų | 28 | 92.1 Ų | 92.1 | 29% | 0.289 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -54.8 | -47.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R4 L10 T11 D12 | R4-G8 PolarHBondContact O-N 3.11Å; G8-L10 PolarHBondContact O-N 3.07Å; G8-T11 PolarHBondContact O-N 3.27Å; G8-D12 PolarHBondContact O-N 2.99Å |
| 9 | I | 90.5 | Very high | 86.4 | Confident | 65 Ų | 65 | 95 Ų | 95 | 33% | 0.333 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 175.7 | -70.8 | 169.3 | 0 | 0 | 0 | 111.8 | M1 D5 V7 D12 W13 | M1-I9 HydrophobicContact CE-CD1 3.37Å; M1-I9 HydrophobicContact SD-CD1 3.96Å; D5-I9 WeakPolarHBondContact O-CG1 3.37Å; D5-I9 PolarHBondContact O-N 3.12Å; V7-I9 PolarHBondContact O-N 3.14Å; I9-D12 PolarHBondContact O-N 3.42Å; I9-W13 HydrophobicContact CG2-CD2 4.01Å; I9-W13 HydrophobicContact CG2-CE3 4.38Å; I9-W13 HydrophobicContact CG2-CH2 3.95Å; I9-W13 HydrophobicContact CG2-CZ2 3.52Å; I9-W13 HydrophobicContact CG2-CZ3 4.35Å; I9-W13 PolarHBondContact O-N 3.22Å |
| 10 | L | 87.1 | Confident | 86.7 | Confident | 80 Ų | 80 | 90.4 Ų | 90.4 | 42% | 0.419 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 177.5 | -177.8 | 62.8 | 0 | 0 | 0 | 111.5 | Q6 V7 G8 W13 F14 | Q6-L10 PolarHBondContact O-N 3.49Å; Q6-L10 VanDerWaalsContact O-N 3.15Å; V7-L10 WeakPolarHBondContact O-CB 3.2Å; V7-L10 PolarHBondContact O-N 2.82Å; V7-L10 VanDerWaalsContact O-N 3.08Å; G8-L10 PolarHBondContact O-N 3.07Å; L10-W13 HydrophobicContact CD1-CE3 4.46Å; L10-W13 PolarHBondContact O-N 3.25Å; L10-F14 WeakPolarHBondContact O-CB 3.38Å; L10-F14 PolarHBondContact O-N 3.41Å |
| 11 | T | 89.5 | Confident | 87 | Confident | 62 Ų | 62 | 89.8 Ų | 89.8 | 38% | 0.38 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 175.5 | -65.4 | 0 | 0 | 0 | 0 | 111.8 | V7 G8 F14 K15 | V7-T11 WeakPolarHBondContact O-CB 3.21Å; V7-T11 PolarHBondContact O-N 3.1Å; V7-T11 PolarHBondContact O-OG1 2.91Å; G8-T11 PolarHBondContact O-N 3.27Å; T11-F14 PolarHBondContact O-N 3.02Å; T11-K15 WeakPolarHBondContact O-CG 3.31Å; T11-K15 PolarHBondContact O-N 3.28Å |
| 12 | D | 91.3 | Very high | 88.6 | Confident | 95 Ų | 95 | 84.7 Ų | 84.7 | 51% | 0.508 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -73.1 | -30.9 | 179.2 | -70.4 | -22 | 0 | 0 | 0 | 113 | G8 I9 K15 | G8-D12 PolarHBondContact O-N 2.99Å; I9-D12 PolarHBondContact O-N 3.42Å; D12-K15 IonicContact OD1-NZ 2.88Å; D12-K15 PolarHBondContact OD1-NZ 2.78Å |
| 13 | W | 91.1 | Very high | 89.1 | Confident | 160 Ų | 160 | 81.3 Ų | 81.3 | 61% | 0.606 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -66 | -43.3 | 165.9 | -66.3 | -14.5 | 0 | 0 | 0 | 111.9 | I9 L10 K15 G16 W17 | I9-W13 HydrophobicContact CG2-CD2 4.01Å; I9-W13 HydrophobicContact CG2-CE3 4.38Å; I9-W13 HydrophobicContact CG2-CH2 3.95Å; I9-W13 HydrophobicContact CG2-CZ2 3.52Å; I9-W13 HydrophobicContact CG2-CZ3 4.35Å; I9-W13 PolarHBondContact O-N 3.22Å; L10-W13 HydrophobicContact CD1-CE3 4.46Å; L10-W13 PolarHBondContact O-N 3.25Å; W13-K15 PolarHBondContact O-N 2.98Å; W13-G16 WeakPolarHBondContact O-CA 3.3Å; W13-G16 PolarHBondContact O-N 3.13Å; W13-W17 HydrophobicContact CB-CZ2 4.21Å |
| 14 | F | 92.4 | Very high | 89.8 | Confident | 53 Ų | 53 | 78.1 Ų | 78.1 | 23% | 0.232 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.7 | -38.6 | -177.3 | -160.1 | -99.5 | 0 | 0 | 0 | 112.7 | L10 T11 G16 W17 Q22 L26 | L10-F14 WeakPolarHBondContact O-CB 3.38Å; L10-F14 PolarHBondContact O-N 3.41Å; T11-F14 PolarHBondContact O-N 3.02Å; F14-G16 PolarHBondContact O-N 3Å; F14-W17 AromaticContact CD2-CE3 3.72Å; F14-W17 HydrophobicContact CD2-CE3 3.72Å; F14-W17 AromaticContact CD2-CZ3 3.82Å; F14-W17 HydrophobicContact CD2-CZ3 3.82Å; F14-W17 HydrophobicContact CE2-CE3 4.33Å; F14-W17 HydrophobicContact CE2-CZ3 4.48Å; F14-W17 HydrophobicContact CG-CE3 4.45Å; F14-W17 PolarHBondContact O-N 3.15Å; F14-Q22 HydrophobicContact CD1-CG 3.97Å; F14-Q22 HydrophobicContact CD2-CG 4.21Å; F14-Q22 HydrophobicContact CE1-CB 3.94Å; F14-Q22 HydrophobicContact CE1-CG 3.63Å; F14-Q22 HydrophobicContact CE2-CB 3.79Å; F14-Q22 HydrophobicContact CE2-CG 3.88Å; F14-Q22 HydrophobicContact CG-CG 4.26Å; F14-Q22 HydrophobicContact CZ-CB 3.42Å; F14-Q22 VanDerWaalsContact CZ-CB 3.42Å; F14-Q22 HydrophobicContact CZ-CG 3.58Å; F14-Q22 PolarHBondContact O-NE2 2.93Å; F14-L26 HydrophobicContact CE2-CD1 4.39Å; F14-L26 HydrophobicContact CE2-CD2 4.11Å; F14-L26 HydrophobicContact CE2-CG 3.85Å; F14-L26 HydrophobicContact CZ-CD1 3.76Å; F14-L26 HydrophobicContact CZ-CD2 4.13Å; F14-L26 HydrophobicContact CZ-CG 3.74Å |
| 15 | K | 91.4 | Very high | 90.2 | Very high | 146 Ų | 146 | 72 Ų | 72 | 64% | 0.635 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -24.3 | 171.3 | -71.1 | 168.4 | -169.6 | 158.4 | 0 | 113.8 | T11 D12 W13 | T11-K15 WeakPolarHBondContact O-CG 3.31Å; T11-K15 PolarHBondContact O-N 3.28Å; D12-K15 IonicContact OD1-NZ 2.88Å; D12-K15 PolarHBondContact OD1-NZ 2.78Å; W13-K15 PolarHBondContact O-N 2.98Å |
| 16 | G | 91.1 | Very high | 90.5 | Very high | 64 Ų | 64 | 73.7 Ų | 73.7 | 66% | 0.66 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -1.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | W13 F14 | W13-G16 WeakPolarHBondContact O-CA 3.3Å; W13-G16 PolarHBondContact O-N 3.13Å; F14-G16 PolarHBondContact O-N 3Å |
| 17 | W | 92.2 | Very high | 90.9 | Very high | 95 Ų | 95 | 71 Ų | 71 | 36% | 0.36 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -104.4 | 148.2 | -179.1 | -64.9 | -19.1 | 0 | 0 | 0 | 111.3 | W13 F14 E21 Q22 A25 | W13-W17 HydrophobicContact CB-CZ2 4.21Å; F14-W17 AromaticContact CD2-CE3 3.72Å; F14-W17 HydrophobicContact CD2-CE3 3.72Å; F14-W17 AromaticContact CD2-CZ3 3.82Å; F14-W17 HydrophobicContact CD2-CZ3 3.82Å; F14-W17 HydrophobicContact CE2-CE3 4.33Å; F14-W17 HydrophobicContact CE2-CZ3 4.48Å; F14-W17 HydrophobicContact CG-CE3 4.45Å; F14-W17 PolarHBondContact O-N 3.15Å; W17-E21 WeakPolarHBondContact CA-OE2 3.47Å; W17-E21 HydrophobicContact CB-CB 3.85Å; W17-E21 HydrophobicContact CG-CB 4.32Å; W17-Q22 HydrophobicContact CB-CG 3.91Å; W17-Q22 PolarHBondContact O-NE2 3.22Å; W17-A25 HydrophobicContact CE3-CB 4.02Å; W17-A25 HydrophobicContact CH2-CB 4.37Å; W17-A25 HydrophobicContact CZ3-CB 3.53Å |
| 18 | N | 91.8 | Very high | 91.2 | Very high | 40 Ų | 40 | 71.3 Ų | 71.3 | 21% | 0.214 | 38% | 0.378 | C | S | . | . | trans | -73.7 | 165.2 | 171.5 | 69.3 | 59.4 | 0 | 0 | 0 | 111.8 | C20 E21 Q22 Q124 | N18-C20 PolarHBondContact O-N 3.02Å; N18-C20 VanDerWaalsContact O-N 3.16Å; N18-C20 WeakPolarHBondContact OD1-CA 3.49Å; N18-C20 VanDerWaalsContact OD1-CB 3.29Å; N18-C20 WeakPolarHBondContact OD1-CB 3.28Å; N18-C20 PolarHBondContact OD1-N 3.32Å; N18-E21 PolarHBondContact N-OE2 2.94Å; N18-E21 PolarHBondContact ND2-OE1 3.46Å; N18-E21 PolarHBondContact ND2-OE2 3.29Å; N18-E21 VanDerWaalsContact ND2-OE2 3.12Å; N18-E21 WeakPolarHBondContact O-CB 3.25Å; N18-E21 PolarHBondContact O-N 3.05Å; N18-E21 VanDerWaalsContact O-N 3.08Å; N18-E21 PolarHBondContact OD1-N 3.5Å; N18-Q22 WeakPolarHBondContact O-CB 3.38Å; N18-Q22 WeakPolarHBondContact O-CG 3.23Å; N18-Q22 PolarHBondContact O-N 3.24Å; N18-Q124 PolarHBondContact ND2-NE2 3.07Å | ||
| 19 | E | 90.9 | Very high | 91.4 | Very high | 148 Ų | 148 | 74 Ų | 74 | 69% | 0.692 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -57.3 | -32.6 | -175.6 | -62.1 | -179.2 | 163.8 | 0 | 0 | 113.6 | T23 | E19-T23 VanDerWaalsContact O-CB 3.28Å; E19-T23 WeakPolarHBondContact O-CB 3.31Å; E19-T23 PolarHBondContact O-N 3.25Å; E19-T23 PolarHBondContact O-OG1 2.92Å |
| 20 | C | 93.6 | Very high | 91.4 | Very high | 3 Ų | 3 | 74.5 Ų | 74.5 | 2% | 0.02 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -71.1 | -46 | 176.7 | -167.8 | 0 | 0 | 0 | 0 | 111 | N18 T23 V24 Q124 Y128 | N18-C20 PolarHBondContact O-N 3.02Å; N18-C20 VanDerWaalsContact O-N 3.16Å; N18-C20 WeakPolarHBondContact OD1-CA 3.49Å; N18-C20 VanDerWaalsContact OD1-CB 3.29Å; N18-C20 WeakPolarHBondContact OD1-CB 3.28Å; N18-C20 PolarHBondContact OD1-N 3.32Å; C20-T23 PolarHBondContact O-N 3.16Å; C20-V24 WeakPolarHBondContact O-CB 3.34Å; C20-V24 VanDerWaalsContact O-CG2 3.25Å; C20-V24 WeakPolarHBondContact O-CG2 3.36Å; C20-V24 PolarHBondContact O-N 3.09Å; C20-Q124 HydrophobicContact CB-CB 3.93Å; C20-Q124 HydrophobicContact CB-CG 3.86Å; C20-Q124 PolarHBondContact SG-O 2.88Å; C20-Q124 VanDerWaalsContact SG-O 3.39Å; C20-Y128 WeakPolarHBondContact CA-OH 3.38Å; C20-Y128 HydrophobicContact CB-CD2 4.38Å; C20-Y128 HydrophobicContact CB-CE1 4.13Å; C20-Y128 HydrophobicContact CB-CE2 3.78Å; C20-Y128 PolarHBondContact N-OH 2.81Å |
| 21 | E | 92.4 | Very high | 91.5 | Very high | 77 Ų | 77 | 77.5 Ų | 77.5 | 36% | 0.36 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 174.8 | -71.1 | 169.3 | 163.4 | 0 | 0 | 111.9 | W17 N18 T23 V24 A25 | W17-E21 WeakPolarHBondContact CA-OE2 3.47Å; W17-E21 HydrophobicContact CB-CB 3.85Å; W17-E21 HydrophobicContact CG-CB 4.32Å; N18-E21 PolarHBondContact N-OE2 2.94Å; N18-E21 PolarHBondContact ND2-OE1 3.46Å; N18-E21 PolarHBondContact ND2-OE2 3.29Å; N18-E21 VanDerWaalsContact ND2-OE2 3.12Å; N18-E21 WeakPolarHBondContact O-CB 3.25Å; N18-E21 PolarHBondContact O-N 3.05Å; N18-E21 VanDerWaalsContact O-N 3.08Å; N18-E21 PolarHBondContact OD1-N 3.5Å; E21-T23 PolarHBondContact O-N 2.96Å; E21-V24 PolarHBondContact O-N 3.39Å; E21-A25 VanDerWaalsContact O-CB 3.29Å; E21-A25 WeakPolarHBondContact O-CB 3.3Å; E21-A25 PolarHBondContact O-N 2.98Å |
| 22 | Q | 93.8 | Very high | 91.6 | Very high | 52 Ų | 52 | 84.4 Ų | 84.4 | 24% | 0.243 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -55.8 | -49 | 171.6 | -74.1 | -177.8 | 32.6 | 0 | 0 | 111.2 | F14 W17 N18 A25 L26 | F14-Q22 HydrophobicContact CD1-CG 3.97Å; F14-Q22 HydrophobicContact CD2-CG 4.21Å; F14-Q22 HydrophobicContact CE1-CB 3.94Å; F14-Q22 HydrophobicContact CE1-CG 3.63Å; F14-Q22 HydrophobicContact CE2-CB 3.79Å; F14-Q22 HydrophobicContact CE2-CG 3.88Å; F14-Q22 HydrophobicContact CG-CG 4.26Å; F14-Q22 HydrophobicContact CZ-CB 3.42Å; F14-Q22 VanDerWaalsContact CZ-CB 3.42Å; F14-Q22 HydrophobicContact CZ-CG 3.58Å; F14-Q22 PolarHBondContact O-NE2 2.93Å; W17-Q22 HydrophobicContact CB-CG 3.91Å; W17-Q22 PolarHBondContact O-NE2 3.22Å; N18-Q22 WeakPolarHBondContact O-CB 3.38Å; N18-Q22 WeakPolarHBondContact O-CG 3.23Å; N18-Q22 PolarHBondContact O-N 3.24Å; Q22-A25 PolarHBondContact O-N 3.18Å; Q22-L26 WeakPolarHBondContact O-CB 3.37Å; Q22-L26 WeakPolarHBondContact O-CG 3.42Å; Q22-L26 PolarHBondContact O-N 3.36Å |
| 23 | T | 93.3 | Very high | 91.5 | Very high | 59 Ų | 59 | 82.3 Ų | 82.3 | 36% | 0.362 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.6 | -44 | 178.2 | -62.3 | 0 | 0 | 0 | 0 | 112.3 | E19 C20 E21 A25 L26 L27 Y128 I131 | E19-T23 VanDerWaalsContact O-CB 3.28Å; E19-T23 WeakPolarHBondContact O-CB 3.31Å; E19-T23 PolarHBondContact O-N 3.25Å; E19-T23 PolarHBondContact O-OG1 2.92Å; C20-T23 PolarHBondContact O-N 3.16Å; E21-T23 PolarHBondContact O-N 2.96Å; T23-A25 VanDerWaalsContact C-N 3.34Å; T23-A25 PolarHBondContact O-N 3.38Å; T23-L26 PolarHBondContact O-N 3.44Å; T23-L27 VanDerWaalsContact O-CB 3.25Å; T23-L27 WeakPolarHBondContact O-CB 3.36Å; T23-L27 PolarHBondContact O-N 3.06Å; T23-Y128 HydrophobicContact CG2-CE1 4.06Å; T23-I131 HydrophobicContact CG2-CD1 4.34Å |
| 24 | V | 91.6 | Very high | 91.6 | Very high | 49 Ų | 49 | 77.3 Ų | 77.3 | 30% | 0.297 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 176.1 | 168.7 | 0 | 0 | 0 | 0 | 111.1 | C20 E21 S28 I131 | C20-V24 WeakPolarHBondContact O-CB 3.34Å; C20-V24 VanDerWaalsContact O-CG2 3.25Å; C20-V24 WeakPolarHBondContact O-CG2 3.36Å; C20-V24 PolarHBondContact O-N 3.09Å; E21-V24 PolarHBondContact O-N 3.39Å; V24-S28 VanDerWaalsContact O-CB 3.29Å; V24-S28 WeakPolarHBondContact O-CB 3.42Å; V24-S28 PolarHBondContact O-N 2.93Å; V24-S28 PolarHBondContact O-OG 3.35Å; V24-I131 HydrophobicContact CG2-CD1 3.91Å |
| 25 | A | 92.2 | Very high | 91.5 | Very high | 22 Ų | 22 | 83.1 Ų | 83.1 | 18% | 0.182 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -66.7 | -50 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | W17 E21 Q22 T23 L27 S28 L29 | W17-A25 HydrophobicContact CE3-CB 4.02Å; W17-A25 HydrophobicContact CH2-CB 4.37Å; W17-A25 HydrophobicContact CZ3-CB 3.53Å; E21-A25 VanDerWaalsContact O-CB 3.29Å; E21-A25 WeakPolarHBondContact O-CB 3.3Å; E21-A25 PolarHBondContact O-N 2.98Å; Q22-A25 PolarHBondContact O-N 3.18Å; T23-A25 VanDerWaalsContact C-N 3.34Å; T23-A25 PolarHBondContact O-N 3.38Å; A25-L27 PolarHBondContact O-N 3.47Å; A25-S28 WeakPolarHBondContact O-CB 3.31Å; A25-S28 PolarHBondContact O-N 3.49Å; A25-S28 VanDerWaalsContact O-N 3.09Å; A25-L29 WeakPolarHBondContact O-CG 3.41Å; A25-L29 PolarHBondContact O-N 3.44Å |
| 26 | L | 92.7 | Very high | 91.5 | Very high | 85 Ų | 85 | 81.7 Ų | 81.7 | 45% | 0.445 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -57.6 | -47.4 | 176 | -74.5 | 178.7 | 0 | 0 | 0 | 111.6 | F14 Q22 T23 S28 L29 L30 | F14-L26 HydrophobicContact CE2-CD1 4.39Å; F14-L26 HydrophobicContact CE2-CD2 4.11Å; F14-L26 HydrophobicContact CE2-CG 3.85Å; F14-L26 HydrophobicContact CZ-CD1 3.76Å; F14-L26 HydrophobicContact CZ-CD2 4.13Å; F14-L26 HydrophobicContact CZ-CG 3.74Å; Q22-L26 WeakPolarHBondContact O-CB 3.37Å; Q22-L26 WeakPolarHBondContact O-CG 3.42Å; Q22-L26 PolarHBondContact O-N 3.36Å; T23-L26 PolarHBondContact O-N 3.44Å; L26-S28 PolarHBondContact O-N 3.22Å; L26-L29 PolarHBondContact O-N 2.88Å; L26-L29 VanDerWaalsContact O-N 3.13Å; L26-L30 WeakPolarHBondContact O-CB 3.39Å; L26-L30 VanDerWaalsContact O-CG 3.3Å; L26-L30 WeakPolarHBondContact O-CG 3.29Å; L26-L30 PolarHBondContact O-N 2.85Å |
| 27 | L | 90.9 | Very high | 91.5 | Very high | 53 Ų | 53 | 83.6 Ų | 83.6 | 28% | 0.277 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.2 | -34.5 | 176.9 | -178.2 | 62.5 | 0 | 0 | 0 | 112.1 | T23 A25 K31 I131 | T23-L27 VanDerWaalsContact O-CB 3.25Å; T23-L27 WeakPolarHBondContact O-CB 3.36Å; T23-L27 PolarHBondContact O-N 3.06Å; A25-L27 PolarHBondContact O-N 3.47Å; L27-K31 WeakPolarHBondContact O-CD 3.41Å; L27-K31 VanDerWaalsContact O-CG 3.23Å; L27-K31 WeakPolarHBondContact O-CG 3.47Å; L27-K31 PolarHBondContact O-N 2.85Å; L27-K31 VanDerWaalsContact O-N 3.11Å; L27-I131 HydrophobicContact CD2-CB 3.8Å; L27-I131 HydrophobicContact CD2-CD1 3.86Å; L27-I131 HydrophobicContact CD2-CG1 4.16Å; L27-I131 HydrophobicContact CD2-CG2 4.41Å |
| 28 | S | 89.6 | Confident | 91.3 | Very high | 61 Ų | 61 | 81 Ų | 81 | 43% | 0.427 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -73.1 | -29.7 | 176.9 | -60.8 | 0 | 0 | 0 | 0 | 113.1 | V24 A25 L26 | V24-S28 VanDerWaalsContact O-CB 3.29Å; V24-S28 WeakPolarHBondContact O-CB 3.42Å; V24-S28 PolarHBondContact O-N 2.93Å; V24-S28 PolarHBondContact O-OG 3.35Å; A25-S28 WeakPolarHBondContact O-CB 3.31Å; A25-S28 PolarHBondContact O-N 3.49Å; A25-S28 VanDerWaalsContact O-N 3.09Å; L26-S28 PolarHBondContact O-N 3.22Å |
| 29 | L | 90.4 | Very high | 91.4 | Very high | 86 Ų | 86 | 85.5 Ų | 85.5 | 45% | 0.45 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -76.6 | -43.4 | 170.9 | -67.2 | 172.1 | 0 | 0 | 0 | 111.8 | A25 L26 K31 R32 V33 | A25-L29 WeakPolarHBondContact O-CG 3.41Å; A25-L29 PolarHBondContact O-N 3.44Å; L26-L29 PolarHBondContact O-N 2.88Å; L26-L29 VanDerWaalsContact O-N 3.13Å; L29-K31 VanDerWaalsContact C-N 3.26Å; L29-K31 PolarHBondContact O-N 3.28Å; L29-R32 WeakPolarHBondContact O-CA 3.39Å; L29-R32 WeakPolarHBondContact O-CB 3.5Å; L29-R32 PolarHBondContact O-N 2.84Å; L29-V33 PolarHBondContact O-N 3.22Å |
| 30 | L | 90.8 | Very high | 91.5 | Very high | 74 Ų | 74 | 84.9 Ų | 84.9 | 39% | 0.387 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.5 | -33.4 | 176.9 | -74.1 | 168.3 | 0 | 0 | 0 | 112.5 | L26 R32 V33 L41 | L26-L30 WeakPolarHBondContact O-CB 3.39Å; L26-L30 VanDerWaalsContact O-CG 3.3Å; L26-L30 WeakPolarHBondContact O-CG 3.29Å; L26-L30 PolarHBondContact O-N 2.85Å; L30-R32 PolarHBondContact O-N 3.33Å; L30-V33 HydrophobicContact CD2-CG2 4.45Å; L30-V33 PolarHBondContact O-N 3.18Å; L30-L41 HydrophobicContact CD2-CD1 3.73Å |
| 31 | K | 87.9 | Confident | 91.5 | Very high | 143 Ų | 143 | 88 Ų | 88 | 62% | 0.622 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -9.3 | 170.4 | -76.5 | 164.1 | -175.7 | 165 | 0 | 114.3 | L27 L29 | L27-K31 WeakPolarHBondContact O-CD 3.41Å; L27-K31 VanDerWaalsContact O-CG 3.23Å; L27-K31 WeakPolarHBondContact O-CG 3.47Å; L27-K31 PolarHBondContact O-N 2.85Å; L27-K31 VanDerWaalsContact O-N 3.11Å; L29-K31 VanDerWaalsContact C-N 3.26Å; L29-K31 PolarHBondContact O-N 3.28Å |
| 32 | R | 91.4 | Very high | 91.4 | Very high | 208 Ų | 208 | 87.8 Ų | 87.8 | 79% | 0.785 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.5 | -9.5 | -177.5 | -58.4 | 177.1 | 64.1 | -179.7 | -1.5 | 114.3 | L29 L30 | L29-R32 WeakPolarHBondContact O-CA 3.39Å; L29-R32 WeakPolarHBondContact O-CB 3.5Å; L29-R32 PolarHBondContact O-N 2.84Å; L30-R32 PolarHBondContact O-N 3.33Å |
| 33 | V | 91.1 | Very high | 91.2 | Very high | 50 Ų | 50 | 89.4 Ų | 89.4 | 30% | 0.303 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -81.1 | 159.7 | 178 | -52.2 | 0 | 0 | 0 | 0 | 111.6 | L29 L30 Q37 A38 | L29-V33 PolarHBondContact O-N 3.22Å; L30-V33 HydrophobicContact CD2-CG2 4.45Å; L30-V33 PolarHBondContact O-N 3.18Å; V33-Q37 HydrophobicContact CB-CB 3.92Å; V33-Q37 HydrophobicContact CG2-CB 4.05Å; V33-A38 HydrophobicContact CG2-CB 4.01Å |
| 34 | S | 93.2 | Very high | 91.2 | Very high | 55 Ų | 55 | 89.2 Ų | 89.2 | 39% | 0.385 | 45% | 0.446 | S | S | . | . | trans | -68.6 | 156.9 | 175.1 | 67.4 | 0 | 0 | 0 | 0 | 112.1 | T36 Q37 A38 | S34-T36 PolarHBondContact O-N 3.19Å; S34-T36 VanDerWaalsContact O-N 3.15Å; S34-Q37 PolarHBondContact O-N 3.16Å; S34-Q37 WeakPolarHBondContact OG-CG 3.46Å; S34-Q37 PolarHBondContact OG-N 3.46Å; S34-Q37 PolarHBondContact OG-OE1 2.98Å; S34-A38 PolarHBondContact O-N 2.94Å | ||
| 35 | R | 90.3 | Very high | 91.1 | Very high | 175 Ų | 175 | 91.1 Ų | 91.1 | 66% | 0.66 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -54 | -35.3 | 176.1 | -65.9 | -174.6 | 180 | 120.2 | -16.2 | 112.6 | R39 N381 | R35-R39 PolarHBondContact O-N 3.08Å; R35-N381 PolarHBondContact NH2-OD1 3.4Å |
| 36 | T | 89.6 | Confident | 91 | Very high | 116 Ų | 116 | 95 Ų | 95 | 71% | 0.712 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -67.7 | -45.7 | 176.5 | -46.1 | 0 | 0 | 0 | 0 | 111.9 | S34 A38 R39 F40 | S34-T36 PolarHBondContact O-N 3.19Å; S34-T36 VanDerWaalsContact O-N 3.15Å; T36-A38 VanDerWaalsContact C-N 3.35Å; T36-R39 PolarHBondContact O-N 2.73Å; T36-F40 WeakPolarHBondContact O-CB 3.21Å; T36-F40 PolarHBondContact O-N 3.37Å |
| 37 | Q | 91.1 | Very high | 90.8 | Very high | 104 Ų | 104 | 97.3 Ų | 97.3 | 49% | 0.486 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.4 | -40.8 | 174.8 | -73.1 | 162.5 | -56.1 | 0 | 0 | 111.4 | V33 S34 F40 L41 | V33-Q37 HydrophobicContact CB-CB 3.92Å; V33-Q37 HydrophobicContact CG2-CB 4.05Å; S34-Q37 PolarHBondContact O-N 3.16Å; S34-Q37 WeakPolarHBondContact OG-CG 3.46Å; S34-Q37 PolarHBondContact OG-N 3.46Å; S34-Q37 PolarHBondContact OG-OE1 2.98Å; Q37-F40 PolarHBondContact O-N 3.32Å; Q37-L41 WeakPolarHBondContact O-CB 3.44Å; Q37-L41 VanDerWaalsContact O-CG 3.28Å; Q37-L41 WeakPolarHBondContact O-CG 3.17Å; Q37-L41 PolarHBondContact O-N 3.29Å |
| 38 | A | 89.8 | Confident | 90.6 | Very high | 42 Ų | 42 | 103 Ų | 103 | 35% | 0.347 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | V33 S34 T36 H42 | V33-A38 HydrophobicContact CG2-CB 4.01Å; S34-A38 PolarHBondContact O-N 2.94Å; T36-A38 VanDerWaalsContact C-N 3.35Å; A38-H42 WeakPolarHBondContact O-CB 3.45Å; A38-H42 PolarHBondContact O-N 3.16Å |
| 39 | R | 93.3 | Very high | 90.5 | Very high | 134 Ų | 134 | 103.3 Ų | 103.3 | 51% | 0.506 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.2 | -37.4 | 176.3 | -176.5 | 67.6 | -158 | 165.3 | 20 | 112 | R35 T36 H42 I43 E46 | R35-R39 PolarHBondContact O-N 3.08Å; T36-R39 PolarHBondContact O-N 2.73Å; R39-H42 VanDerWaalsContact CZ-CD2 3.42Å; R39-H42 PolarHBondContact NH1-CD2 2.84Å; R39-H42 PolarHBondContact NH1-NE2 2.96Å; R39-I43 HydrophobicContact CG-CD1 4.11Å; R39-I43 WeakPolarHBondContact O-CD1 3.4Å; R39-I43 VanDerWaalsContact O-CG1 3.29Å; R39-I43 WeakPolarHBondContact O-CG1 3.25Å; R39-I43 PolarHBondContact O-N 3.01Å; R39-I43 VanDerWaalsContact O-N 3.07Å; R39-E46 IonicContact NH2-OE2 2.77Å; R39-E46 PolarHBondContact NH2-OE2 3.24Å |
| 40 | F | 92.6 | Very high | 90.1 | Very high | 135 Ų | 135 | 101.9 Ų | 101.9 | 59% | 0.592 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.7 | -53.1 | 173.7 | 173.1 | -100.9 | 0 | 0 | 0 | 111.6 | T36 Q37 H42 I43 C44 | T36-F40 WeakPolarHBondContact O-CB 3.21Å; T36-F40 PolarHBondContact O-N 3.37Å; Q37-F40 PolarHBondContact O-N 3.32Å; F40-H42 VanDerWaalsContact C-N 3.3Å; F40-H42 PolarHBondContact O-N 3.2Å; F40-I43 PolarHBondContact O-N 2.96Å; F40-I43 VanDerWaalsContact O-N 3.08Å; F40-C44 PolarHBondContact O-N 3.36Å; F40-C44 PolarHBondContact O-SG 2.96Å; F40-C44 VanDerWaalsContact O-SG 3.4Å |
| 41 | L | 93.2 | Very high | 89.7 | Confident | 67 Ų | 67 | 104.7 Ų | 104.7 | 35% | 0.351 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59 | -40.3 | 179 | -71.1 | 168.4 | 0 | 0 | 0 | 112.1 | L30 Q37 C44 L45 | L30-L41 HydrophobicContact CD2-CD1 3.73Å; Q37-L41 WeakPolarHBondContact O-CB 3.44Å; Q37-L41 VanDerWaalsContact O-CG 3.28Å; Q37-L41 WeakPolarHBondContact O-CG 3.17Å; Q37-L41 PolarHBondContact O-N 3.29Å; L41-C44 WeakPolarHBondContact O-CB 3.39Å; L41-C44 PolarHBondContact O-N 3.14Å; L41-L45 WeakPolarHBondContact O-CB 3.26Å; L41-L45 VanDerWaalsContact O-CG 3.28Å; L41-L45 WeakPolarHBondContact O-CG 3.41Å; L41-L45 PolarHBondContact O-N 3.29Å |
| 42 | H | 90.5 | Very high | 89.6 | Confident | 74 Ų | 74 | 100.1 Ų | 100.1 | 34% | 0.343 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.3 | -37.3 | 175.1 | 161.2 | 66.3 | 0 | 0 | 0 | 113 | A38 R39 F40 L45 E46 | A38-H42 WeakPolarHBondContact O-CB 3.45Å; A38-H42 PolarHBondContact O-N 3.16Å; R39-H42 VanDerWaalsContact CZ-CD2 3.42Å; R39-H42 PolarHBondContact NH1-CD2 2.84Å; R39-H42 PolarHBondContact NH1-NE2 2.96Å; F40-H42 VanDerWaalsContact C-N 3.3Å; F40-H42 PolarHBondContact O-N 3.2Å; H42-L45 PolarHBondContact O-N 3.03Å; H42-E46 IonicContact CD2-OE2 2.68Å; H42-E46 IonicContact CE1-OE1 2.72Å; H42-E46 PolarHBondContact CE1-OE1 3.35Å; H42-E46 VanDerWaalsContact CE1-OE1 3.25Å; H42-E46 IonicContact CE1-OE2 2.62Å; H42-E46 IonicContact NE2-OE1 2.67Å; H42-E46 IonicContact NE2-OE2 2.71Å; H42-E46 PolarHBondContact NE2-OE2 3.32Å; H42-E46 WeakPolarHBondContact O-CB 3.46Å; H42-E46 WeakPolarHBondContact O-CG 3.49Å; H42-E46 PolarHBondContact O-N 3.29Å |
| 43 | I | 90.7 | Very high | 89.5 | Confident | 85 Ų | 85 | 95.4 Ų | 95.4 | 44% | 0.436 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65 | -40.1 | 172.7 | -69.4 | 163 | 0 | 0 | 0 | 111 | R39 F40 L45 H47 | R39-I43 HydrophobicContact CG-CD1 4.11Å; R39-I43 WeakPolarHBondContact O-CD1 3.4Å; R39-I43 VanDerWaalsContact O-CG1 3.29Å; R39-I43 WeakPolarHBondContact O-CG1 3.25Å; R39-I43 PolarHBondContact O-N 3.01Å; R39-I43 VanDerWaalsContact O-N 3.07Å; F40-I43 PolarHBondContact O-N 2.96Å; F40-I43 VanDerWaalsContact O-N 3.08Å; I43-L45 VanDerWaalsContact C-N 3.34Å; I43-H47 WeakPolarHBondContact O-CB 3.4Å; I43-H47 PolarHBondContact O-N 3.28Å |
| 44 | C | 91.9 | Very high | 89.4 | Confident | 55 Ų | 55 | 100 Ų | 100 | 37% | 0.372 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 174.5 | -63.3 | 0 | 0 | 0 | 0 | 112.1 | F40 L41 H47 W48 | F40-C44 PolarHBondContact O-N 3.36Å; F40-C44 PolarHBondContact O-SG 2.96Å; F40-C44 VanDerWaalsContact O-SG 3.4Å; L41-C44 WeakPolarHBondContact O-CB 3.39Å; L41-C44 PolarHBondContact O-N 3.14Å; C44-H47 PolarHBondContact O-N 3.24Å; C44-W48 WeakPolarHBondContact O-CB 3.48Å; C44-W48 PolarHBondContact O-N 3.3Å |
| 45 | L | 90.8 | Very high | 89.2 | Confident | 90 Ų | 90 | 100.1 Ų | 100.1 | 47% | 0.471 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -71.3 | -41.8 | 177.5 | -70.6 | 166.2 | 0 | 0 | 0 | 112.5 | L41 H42 I43 H47 W48 L49 | L41-L45 WeakPolarHBondContact O-CB 3.26Å; L41-L45 VanDerWaalsContact O-CG 3.28Å; L41-L45 WeakPolarHBondContact O-CG 3.41Å; L41-L45 PolarHBondContact O-N 3.29Å; H42-L45 PolarHBondContact O-N 3.03Å; I43-L45 VanDerWaalsContact C-N 3.34Å; L45-H47 VanDerWaalsContact C-N 3.29Å; L45-H47 PolarHBondContact O-N 3.11Å; L45-W48 PolarHBondContact O-N 3.48Å; L45-L49 WeakPolarHBondContact O-CB 3.45Å; L45-L49 VanDerWaalsContact O-CG 3.31Å; L45-L49 WeakPolarHBondContact O-CG 3.45Å; L45-L49 PolarHBondContact O-N 2.99Å |
| 46 | E | 88.8 | Confident | 89.2 | Confident | 103 Ų | 103 | 96.4 Ų | 96.4 | 48% | 0.481 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -56.6 | -44.2 | 171.3 | -78.8 | -176.3 | 138.2 | 0 | 0 | 110.8 | R39 H42 A50 | R39-E46 IonicContact NH2-OE2 2.77Å; R39-E46 PolarHBondContact NH2-OE2 3.24Å; H42-E46 IonicContact CD2-OE2 2.68Å; H42-E46 IonicContact CE1-OE1 2.72Å; H42-E46 PolarHBondContact CE1-OE1 3.35Å; H42-E46 VanDerWaalsContact CE1-OE1 3.25Å; H42-E46 IonicContact CE1-OE2 2.62Å; H42-E46 IonicContact NE2-OE1 2.67Å; H42-E46 IonicContact NE2-OE2 2.71Å; H42-E46 PolarHBondContact NE2-OE2 3.32Å; H42-E46 WeakPolarHBondContact O-CB 3.46Å; H42-E46 WeakPolarHBondContact O-CG 3.49Å; H42-E46 PolarHBondContact O-N 3.29Å; E46-A50 PolarHBondContact O-N 3.42Å |
| 47 | H | 89.1 | Confident | 89.3 | Confident | 134 Ų | 134 | 95.3 Ų | 95.3 | 62% | 0.62 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -67.5 | -41.8 | 178.9 | -177.1 | 24.9 | 0 | 0 | 0 | 112.8 | I43 C44 L45 A50 | I43-H47 WeakPolarHBondContact O-CB 3.4Å; I43-H47 PolarHBondContact O-N 3.28Å; C44-H47 PolarHBondContact O-N 3.24Å; L45-H47 VanDerWaalsContact C-N 3.29Å; L45-H47 PolarHBondContact O-N 3.11Å; H47-A50 WeakPolarHBondContact O-CB 3.28Å; H47-A50 PolarHBondContact O-N 2.76Å |
| 48 | W | 86 | Confident | 89.4 | Confident | 173 Ų | 173 | 92.6 Ų | 92.6 | 66% | 0.655 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -70 | -31.6 | -178.9 | -170.6 | 70.9 | 0 | 0 | 0 | 113.1 | C44 L45 | C44-W48 WeakPolarHBondContact O-CB 3.48Å; C44-W48 PolarHBondContact O-N 3.3Å; L45-W48 PolarHBondContact O-N 3.48Å |
| 49 | L | 87.7 | Confident | 89.6 | Confident | 66 Ų | 66 | 93.8 Ų | 93.8 | 35% | 0.346 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -87.5 | -9.8 | 178.7 | -64.6 | 171.2 | 0 | 0 | 0 | 114 | L45 D51 C52 H56 | L45-L49 WeakPolarHBondContact O-CB 3.45Å; L45-L49 VanDerWaalsContact O-CG 3.31Å; L45-L49 WeakPolarHBondContact O-CG 3.45Å; L45-L49 PolarHBondContact O-N 2.99Å; L49-D51 VanDerWaalsContact C-N 3.34Å; L49-D51 PolarHBondContact O-N 3Å; L49-C52 WeakPolarHBondContact O-CB 3.46Å; L49-C52 PolarHBondContact O-N 3.06Å; L49-C52 VanDerWaalsContact O-N 3.12Å; L49-H56 PolarHBondContact O-CE1 2.84Å |
| 50 | A | 83 | Confident | 89.6 | Confident | 57 Ų | 57 | 90.5 Ų | 90.5 | 47% | 0.471 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -41.2 | -171 | 0 | 0 | 0 | 0 | 0 | 113.9 | E46 H47 | E46-A50 PolarHBondContact O-N 3.42Å; H47-A50 WeakPolarHBondContact O-CB 3.28Å; H47-A50 PolarHBondContact O-N 2.76Å |
| 51 | D | 81.3 | Confident | 89.7 | Confident | 133 Ų | 133 | 88 Ų | 88 | 71% | 0.711 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -1.8 | -178.1 | -64 | -46.3 | 0 | 0 | 0 | 113.2 | L49 T53 | L49-D51 VanDerWaalsContact C-N 3.34Å; L49-D51 PolarHBondContact O-N 3Å; D51-T53 PolarHBondContact O-N 3.28Å |
| 52 | C | 87.1 | Confident | 89.8 | Confident | 47 Ų | 47 | 84.9 Ų | 84.9 | 32% | 0.318 | 44% | 0.442 | S | S | . | . | trans | -77.1 | 85.2 | -179.6 | -62.5 | 0 | 0 | 0 | 0 | 111.2 | L49 E54 I55 H56 | L49-C52 WeakPolarHBondContact O-CB 3.46Å; L49-C52 PolarHBondContact O-N 3.06Å; L49-C52 VanDerWaalsContact O-N 3.12Å; C52-E54 VanDerWaalsContact C-N 3.3Å; C52-E54 PolarHBondContact O-N 3.16Å; C52-I55 HydrophobicContact CB-CB 4.43Å; C52-I55 HydrophobicContact CB-CG2 3.73Å; C52-I55 WeakPolarHBondContact O-CG2 3.41Å; C52-I55 PolarHBondContact O-N 3.29Å; C52-H56 PolarHBondContact O-ND1 3.22Å | ||
| 53 | T | 88.6 | Confident | 90 | Very high | 108 Ų | 108 | 82.4 Ų | 82.4 | 66% | 0.663 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -61.8 | -35.5 | 179.5 | 52.7 | 0 | 0 | 0 | 0 | 113.4 | D51 H56 I57 | D51-T53 PolarHBondContact O-N 3.28Å; T53-H56 PolarHBondContact O-N 3.01Å; T53-I57 WeakPolarHBondContact O-CG1 3.43Å; T53-I57 PolarHBondContact O-N 3.33Å |
| 54 | E | 89.8 | Confident | 90.3 | Very high | 146 Ų | 146 | 80.2 Ų | 80.2 | 68% | 0.682 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -63.5 | -43.5 | -179.3 | -174.3 | 169.7 | -158.4 | 0 | 0 | 113 | C52 H56 I57 L58 | C52-E54 VanDerWaalsContact C-N 3.3Å; C52-E54 PolarHBondContact O-N 3.16Å; E54-H56 VanDerWaalsContact C-N 3.29Å; E54-H56 PolarHBondContact O-N 2.92Å; E54-I57 PolarHBondContact O-N 3.47Å; E54-I57 VanDerWaalsContact O-N 3.14Å; E54-L58 HydrophobicContact CG-CD1 4.18Å; E54-L58 WeakPolarHBondContact O-CG 3.5Å; E54-L58 PolarHBondContact O-N 2.88Å |
| 55 | I | 89.2 | Confident | 90.4 | Very high | 59 Ų | 59 | 78.7 Ų | 78.7 | 30% | 0.303 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.2 | -31.7 | -179.2 | -155.7 | 66.1 | 0 | 0 | 0 | 112 | C52 L58 E59 L89 | C52-I55 HydrophobicContact CB-CB 4.43Å; C52-I55 HydrophobicContact CB-CG2 3.73Å; C52-I55 WeakPolarHBondContact O-CG2 3.41Å; C52-I55 PolarHBondContact O-N 3.29Å; I55-L58 HydrophobicContact CD1-CD1 4.39Å; I55-L58 PolarHBondContact O-N 3.14Å; I55-E59 WeakPolarHBondContact O-CB 3.44Å; I55-E59 PolarHBondContact O-N 3.46Å; I55-L89 HydrophobicContact CD1-CD1 3.93Å; I55-L89 HydrophobicContact CD1-CD2 4.07Å; I55-L89 HydrophobicContact CG1-CD2 4.3Å |
| 56 | H | 89.3 | Confident | 90.5 | Very high | 96 Ų | 96 | 77.3 Ų | 77.3 | 44% | 0.444 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -70.3 | -33 | 174.4 | -66 | 106 | 0 | 0 | 0 | 112.5 | L49 C52 T53 E54 A60 | L49-H56 PolarHBondContact O-CE1 2.84Å; C52-H56 PolarHBondContact O-ND1 3.22Å; T53-H56 PolarHBondContact O-N 3.01Å; E54-H56 VanDerWaalsContact C-N 3.29Å; E54-H56 PolarHBondContact O-N 2.92Å; H56-A60 WeakPolarHBondContact O-CB 3.5Å; H56-A60 PolarHBondContact O-N 2.89Å; H56-A60 VanDerWaalsContact O-N 3.09Å |
| 57 | I | 92.3 | Very high | 90.8 | Very high | 94 Ų | 94 | 74.1 Ų | 74.1 | 48% | 0.482 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -68.5 | -48 | 172.5 | -65.3 | 166.2 | 0 | 0 | 0 | 109.6 | T53 E54 E59 A60 E61 | T53-I57 WeakPolarHBondContact O-CG1 3.43Å; T53-I57 PolarHBondContact O-N 3.33Å; E54-I57 PolarHBondContact O-N 3.47Å; E54-I57 VanDerWaalsContact O-N 3.14Å; I57-E59 VanDerWaalsContact C-N 3.33Å; I57-E59 PolarHBondContact O-N 2.76Å; I57-A60 PolarHBondContact O-N 2.73Å; I57-A60 VanDerWaalsContact O-N 3.14Å; I57-E61 PolarHBondContact O-N 3.12Å |
| 58 | L | 93.7 | Very high | 91.1 | Very high | 46 Ų | 46 | 67.7 Ų | 67.7 | 24% | 0.241 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.6 | -37.3 | 177.2 | -68.5 | 170.5 | 0 | 0 | 0 | 112.4 | E54 I55 A62 L89 | E54-L58 HydrophobicContact CG-CD1 4.18Å; E54-L58 WeakPolarHBondContact O-CG 3.5Å; E54-L58 PolarHBondContact O-N 2.88Å; I55-L58 HydrophobicContact CD1-CD1 4.39Å; I55-L58 PolarHBondContact O-N 3.14Å; L58-A62 WeakPolarHBondContact O-CB 3.41Å; L58-A62 PolarHBondContact O-N 2.9Å; L58-L89 HydrophobicContact CB-CD1 3.62Å |
| 59 | E | 93.1 | Very high | 91.5 | Very high | 67 Ų | 67 | 61.7 Ų | 61.7 | 31% | 0.313 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.6 | -42.3 | 173 | -171 | -175.9 | 171.6 | 0 | 0 | 111.6 | I55 I57 A62 N63 L89 Q91 | I55-E59 WeakPolarHBondContact O-CB 3.44Å; I55-E59 PolarHBondContact O-N 3.46Å; I57-E59 VanDerWaalsContact C-N 3.33Å; I57-E59 PolarHBondContact O-N 2.76Å; E59-A62 PolarHBondContact O-N 2.64Å; E59-N63 WeakPolarHBondContact O-CB 3.4Å; E59-N63 PolarHBondContact O-N 3.01Å; E59-N63 PolarHBondContact O-ND2 2.91Å; E59-L89 HydrophobicContact CB-CB 4.41Å; E59-L89 HydrophobicContact CG-CB 4.43Å; E59-Q91 PolarHBondContact OE1-NE2 3.4Å |
| 60 | A | 93.1 | Very high | 91.8 | Very high | 66 Ų | 66 | 64.1 Ų | 64.1 | 55% | 0.545 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | H56 I57 N63 S64 | H56-A60 WeakPolarHBondContact O-CB 3.5Å; H56-A60 PolarHBondContact O-N 2.89Å; H56-A60 VanDerWaalsContact O-N 3.09Å; I57-A60 PolarHBondContact O-N 2.73Å; I57-A60 VanDerWaalsContact O-N 3.14Å; A60-N63 PolarHBondContact O-N 3.42Å; A60-S64 PolarHBondContact O-N 3.35Å; A60-S64 VanDerWaalsContact O-N 3.14Å |
| 61 | E | 94.6 | Very high | 92.4 | Very high | 83 Ų | 83 | 62.1 Ų | 62.1 | 39% | 0.388 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.6 | -42.7 | 174.4 | -71.3 | -170.9 | -159.7 | 0 | 0 | 112 | I57 N63 S64 | I57-E61 PolarHBondContact O-N 3.12Å; E61-N63 PolarHBondContact O-N 3Å; E61-S64 PolarHBondContact O-N 3.46Å; E61-S64 VanDerWaalsContact O-N 3.12Å |
| 62 | A | 94.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60 | -31.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L58 E59 H86 L89 Y101 | L58-A62 WeakPolarHBondContact O-CB 3.41Å; L58-A62 PolarHBondContact O-N 2.9Å; E59-A62 PolarHBondContact O-N 2.64Å; A62-H86 HydrophobicContact CB-CB 3.76Å; A62-H86 WeakPolarHBondContact CB-O 3.36Å; A62-L89 HydrophobicContact CB-CB 3.92Å; A62-Y101 VanDerWaalsContact CA-OH 3.31Å; A62-Y101 WeakPolarHBondContact CA-OH 3.49Å; A62-Y101 VanDerWaalsContact O-CE2 3.3Å; A62-Y101 WeakPolarHBondContact O-CE2 3.49Å; A62-Y101 PolarHBondContact O-OH 3.08Å; A62-Y101 VanDerWaalsContact O-OH 3.12Å |
| 63 | N | 95.9 | Very high | 93.1 | Very high | 23 Ų | 23 | 64.5 Ų | 64.5 | 12% | 0.123 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -93.7 | -5.6 | -179.6 | -74.7 | -80 | 0 | 0 | 0 | 113.8 | E59 A60 E61 A65 L89 Q91 N94 | E59-N63 WeakPolarHBondContact O-CB 3.4Å; E59-N63 PolarHBondContact O-N 3.01Å; E59-N63 PolarHBondContact O-ND2 2.91Å; A60-N63 PolarHBondContact O-N 3.42Å; E61-N63 PolarHBondContact O-N 3Å; N63-A65 PolarHBondContact O-N 3.39Å; N63-L89 PolarHBondContact ND2-O 3.3Å; N63-Q91 VanDerWaalsContact OD1-CB 3.29Å; N63-Q91 WeakPolarHBondContact OD1-CB 3.43Å; N63-Q91 WeakPolarHBondContact OD1-CG 3.3Å; N63-Q91 PolarHBondContact OD1-N 3.43Å; N63-N94 WeakPolarHBondContact CA-ND2 3.42Å; N63-N94 WeakPolarHBondContact CB-ND2 3.27Å; N63-N94 PolarHBondContact O-ND2 3.15Å; N63-N94 PolarHBondContact OD1-ND2 3.01Å |
| 64 | S | 95.9 | Very high | 93.4 | Very high | 39 Ų | 39 | 62.7 Ų | 62.7 | 27% | 0.273 | 34% | 0.335 | S | S | . | . | trans | -81.2 | 96.8 | 172.4 | 175.5 | 0 | 0 | 0 | 0 | 110.7 | A60 E61 A66 T67 V68 | A60-S64 PolarHBondContact O-N 3.35Å; A60-S64 VanDerWaalsContact O-N 3.14Å; E61-S64 PolarHBondContact O-N 3.46Å; E61-S64 VanDerWaalsContact O-N 3.12Å; S64-A66 PolarHBondContact O-N 3.33Å; S64-A66 VanDerWaalsContact O-N 3.13Å; S64-T67 VanDerWaalsContact CB-OG1 3.26Å; S64-T67 WeakPolarHBondContact CB-OG1 3.48Å; S64-T67 WeakPolarHBondContact O-CB 3.3Å; S64-T67 PolarHBondContact O-N 2.86Å; S64-T67 WeakPolarHBondContact OG-CB 3.46Å; S64-T67 PolarHBondContact OG-N 2.85Å; S64-T67 PolarHBondContact OG-OG1 3.41Å; S64-V68 WeakPolarHBondContact O-CG2 3.5Å; S64-V68 PolarHBondContact O-N 2.99Å | ||
| 65 | A | 94 | Very high | 93.5 | Very high | 23 Ų | 23 | 59.7 Ų | 59.7 | 19% | 0.19 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -54.5 | -32.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | N63 S69 E96 A97 | N63-A65 PolarHBondContact O-N 3.39Å; A65-S69 VanDerWaalsContact O-CB 3.28Å; A65-S69 WeakPolarHBondContact O-CB 3.46Å; A65-S69 PolarHBondContact O-N 3.17Å; A65-E96 HydrophobicContact CB-CB 4.03Å; A65-A97 HydrophobicContact CB-CB 4.34Å |
| 66 | A | 94 | Very high | 93.6 | Very high | 60 Ų | 60 | 59.8 Ų | 59.8 | 50% | 0.496 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.6 | -46 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S64 S69 Q70 | S64-A66 PolarHBondContact O-N 3.33Å; S64-A66 VanDerWaalsContact O-N 3.13Å; A66-S69 PolarHBondContact O-N 3.3Å; A66-S69 PolarHBondContact O-OG 3.46Å; A66-Q70 WeakPolarHBondContact O-CG 3.49Å; A66-Q70 PolarHBondContact O-N 2.78Å |
| 67 | T | 94.7 | Very high | 93.8 | Very high | 36 Ų | 36 | 61.9 Ų | 61.9 | 22% | 0.221 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.9 | -50.5 | 177.5 | -54.8 | 0 | 0 | 0 | 0 | 110.8 | S64 S69 Q70 W71 | S64-T67 VanDerWaalsContact CB-OG1 3.26Å; S64-T67 WeakPolarHBondContact CB-OG1 3.48Å; S64-T67 WeakPolarHBondContact O-CB 3.3Å; S64-T67 PolarHBondContact O-N 2.86Å; S64-T67 WeakPolarHBondContact OG-CB 3.46Å; S64-T67 PolarHBondContact OG-N 2.85Å; S64-T67 PolarHBondContact OG-OG1 3.41Å; T67-S69 VanDerWaalsContact C-N 3.26Å; T67-S69 PolarHBondContact O-N 3.25Å; T67-Q70 WeakPolarHBondContact O-CB 3.39Å; T67-Q70 PolarHBondContact O-N 3.32Å; T67-W71 HydrophobicContact CG2-CZ2 4.38Å |
| 68 | V | 95.1 | Very high | 94 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.7 | -38.1 | 177.9 | -177.9 | 0 | 0 | 0 | 0 | 111.2 | S64 Q70 W71 E100 Y101 L104 | S64-V68 WeakPolarHBondContact O-CG2 3.5Å; S64-V68 PolarHBondContact O-N 2.99Å; V68-Q70 VanDerWaalsContact C-N 3.28Å; V68-Q70 PolarHBondContact O-N 3.5Å; V68-W71 HydrophobicContact CB-CE3 4.39Å; V68-W71 HydrophobicContact CB-CZ3 4.35Å; V68-W71 HydrophobicContact CG1-CE3 3.98Å; V68-W71 HydrophobicContact CG1-CZ3 4Å; V68-W71 HydrophobicContact CG2-CH2 3.92Å; V68-W71 HydrophobicContact CG2-CZ2 4.37Å; V68-W71 HydrophobicContact CG2-CZ3 4.01Å; V68-W71 WeakPolarHBondContact O-CB 3.25Å; V68-W71 PolarHBondContact O-N 2.64Å; V68-E100 HydrophobicContact CB-CB 4.17Å; V68-E100 HydrophobicContact CG1-CB 3.64Å; V68-Y101 HydrophobicContact CG1-CD2 4.32Å; V68-Y101 HydrophobicContact CG1-CE1 4.44Å; V68-Y101 HydrophobicContact CG1-CE2 4.2Å; V68-Y101 HydrophobicContact CG1-CG 4.46Å; V68-Y101 HydrophobicContact CG2-CE2 3.83Å; V68-L104 HydrophobicContact CG1-CD1 3.66Å |
| 69 | S | 94.1 | Very high | 94.1 | Very high | 47 Ų | 47 | 60 Ų | 60 | 33% | 0.329 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.1 | -31.9 | 177.3 | 79.7 | 0 | 0 | 0 | 0 | 113.5 | A65 A66 T67 W71 H72 | A65-S69 VanDerWaalsContact O-CB 3.28Å; A65-S69 WeakPolarHBondContact O-CB 3.46Å; A65-S69 PolarHBondContact O-N 3.17Å; A66-S69 PolarHBondContact O-N 3.3Å; A66-S69 PolarHBondContact O-OG 3.46Å; T67-S69 VanDerWaalsContact C-N 3.26Å; T67-S69 PolarHBondContact O-N 3.25Å; S69-W71 VanDerWaalsContact C-N 3.32Å; S69-W71 PolarHBondContact O-N 2.76Å; S69-H72 WeakPolarHBondContact O-CB 3.28Å; S69-H72 PolarHBondContact O-N 2.64Å; S69-H72 PolarHBondContact O-ND1 3.19Å |
| 70 | Q | 94.7 | Very high | 94.2 | Very high | 117 Ų | 117 | 57.1 Ų | 57.1 | 55% | 0.547 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69.3 | -29.5 | -178.8 | -67.9 | 170.5 | 22.6 | 0 | 0 | 112.4 | A66 T67 V68 H72 Q73 | A66-Q70 WeakPolarHBondContact O-CG 3.49Å; A66-Q70 PolarHBondContact O-N 2.78Å; T67-Q70 WeakPolarHBondContact O-CB 3.39Å; T67-Q70 PolarHBondContact O-N 3.32Å; V68-Q70 VanDerWaalsContact C-N 3.28Å; V68-Q70 PolarHBondContact O-N 3.5Å; Q70-H72 PolarHBondContact O-N 3.49Å; Q70-Q73 WeakPolarHBondContact O-CB 3.5Å; Q70-Q73 PolarHBondContact O-N 2.88Å |
| 71 | W | 95.4 | Very high | 94.3 | Very high | 14 Ų | 14 | 57.5 Ų | 57.5 | 5% | 0.053 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -60 | -15 | 178 | -54.2 | -16.3 | 0 | 0 | 0 | 113.4 | T67 V68 S69 Q73 E74 V79 L82 L83 H86 Y101 L104 | T67-W71 HydrophobicContact CG2-CZ2 4.38Å; V68-W71 HydrophobicContact CB-CE3 4.39Å; V68-W71 HydrophobicContact CB-CZ3 4.35Å; V68-W71 HydrophobicContact CG1-CE3 3.98Å; V68-W71 HydrophobicContact CG1-CZ3 4Å; V68-W71 HydrophobicContact CG2-CH2 3.92Å; V68-W71 HydrophobicContact CG2-CZ2 4.37Å; V68-W71 HydrophobicContact CG2-CZ3 4.01Å; V68-W71 WeakPolarHBondContact O-CB 3.25Å; V68-W71 PolarHBondContact O-N 2.64Å; S69-W71 VanDerWaalsContact C-N 3.32Å; S69-W71 PolarHBondContact O-N 2.76Å; W71-Q73 PolarHBondContact O-N 3.16Å; W71-Q73 VanDerWaalsContact O-N 3.1Å; W71-E74 PolarHBondContact O-N 3.07Å; W71-E74 VanDerWaalsContact O-N 3.14Å; W71-V79 WeakPolarHBondContact O-CG2 3.49Å; W71-L82 HydrophobicContact CD2-CB 4.15Å; W71-L82 HydrophobicContact CD2-CD1 4.02Å; W71-L82 HydrophobicContact CE3-CB 4.09Å; W71-L82 HydrophobicContact CG-CD1 3.92Å; W71-L82 HydrophobicContact CH2-CB 4.34Å; W71-L82 HydrophobicContact CZ2-CB 4.37Å; W71-L82 HydrophobicContact CZ2-CD2 4.33Å; W71-L82 HydrophobicContact CZ3-CB 4.19Å; W71-L83 HydrophobicContact CZ3-CD2 4.45Å; W71-H86 HydrophobicContact CH2-CB 3.72Å; W71-H86 AromaticContact CH2-CD2 3.82Å; W71-H86 AromaticContact CH2-CG 3.61Å; W71-H86 HydrophobicContact CZ3-CB 4.35Å; W71-Y101 AromaticContact CZ3-CE1 3.98Å; W71-Y101 HydrophobicContact CZ3-CE1 3.98Å; W71-L104 HydrophobicContact CB-CD1 4.14Å; W71-L104 HydrophobicContact CE3-CD1 3.84Å |
| 72 | H | 91.1 | Very high | 94.4 | Very high | 57 Ų | 57 | 55 Ų | 55 | 26% | 0.264 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -58.7 | -19.1 | 169.4 | -70.9 | 90.9 | 0 | 0 | 0 | 113.8 | S69 Q70 E100 K107 | S69-H72 WeakPolarHBondContact O-CB 3.28Å; S69-H72 PolarHBondContact O-N 2.64Å; S69-H72 PolarHBondContact O-ND1 3.19Å; Q70-H72 PolarHBondContact O-N 3.49Å; H72-E100 IonicContact CE1-OE2 3.19Å; H72-K107 PolarHBondContact O-NZ 3.08Å |
| 73 | Q | 91.3 | Very high | 94.4 | Very high | 174 Ų | 174 | 55 Ų | 55 | 81% | 0.813 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -95.6 | -13 | 179.2 | -60.6 | 176.9 | 71 | 0 | 0 | 113.6 | Q70 W71 | Q70-Q73 WeakPolarHBondContact O-CB 3.5Å; Q70-Q73 PolarHBondContact O-N 2.88Å; W71-Q73 PolarHBondContact O-N 3.16Å; W71-Q73 VanDerWaalsContact O-N 3.1Å |
| 74 | E | 94.9 | Very high | 94.4 | Very high | 70 Ų | 70 | 55.5 Ų | 55.5 | 33% | 0.327 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -79.8 | 156.2 | -175.6 | -67.2 | -76.5 | -168.6 | 0 | 0 | 112.1 | W71 K78 V79 | W71-E74 PolarHBondContact O-N 3.07Å; W71-E74 VanDerWaalsContact O-N 3.14Å; E74-K78 VanDerWaalsContact CD-CE 3.5Å; E74-K78 WeakPolarHBondContact OE1-CE 3.39Å; E74-K78 IonicContact OE1-NZ 2.67Å; E74-K78 PolarHBondContact OE1-NZ 2.64Å; E74-K78 WeakPolarHBondContact OE2-CD 3.31Å; E74-K78 WeakPolarHBondContact OE2-CE 3.3Å; E74-K78 IonicContact OE2-NZ 2.81Å; E74-K78 PolarHBondContact OE2-NZ 2.92Å; E74-V79 HydrophobicContact CB-CG2 3.74Å |
| 75 | P | 93.4 | Very high | 94.4 | Very high | 83 Ų | 83 | 56.2 Ų | 56.2 | 54% | 0.539 | 31% | 0.306 | S | S | . | . | trans | -65.1 | 146.2 | 175.9 | 27.6 | -33.4 | 0 | 0 | 0 | 111.2 | E77 K78 V79 | P75-E77 VanDerWaalsContact C-N 3.3Å; P75-E77 PolarHBondContact O-N 3.28Å; P75-E77 VanDerWaalsContact O-N 3.15Å; P75-K78 HydrophobicContact CG-CB 4.01Å; P75-K78 PolarHBondContact O-N 2.76Å; P75-V79 PolarHBondContact O-N 3.21Å | ||
| 76 | K | 90.8 | Very high | 94.5 | Very high | 61 Ų | 61 | 55.4 Ų | 55.4 | 27% | 0.265 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -49.9 | -45.3 | -170.1 | -70.9 | -77.6 | -172.8 | 159.7 | 0 | 114.1 | V79 V80 K107 H111 F118 | K76-V79 WeakPolarHBondContact O-CB 3.38Å; K76-V79 PolarHBondContact O-N 2.68Å; K76-V80 WeakPolarHBondContact O-CG2 3.32Å; K76-V80 PolarHBondContact O-N 3.43Å; K76-K107 PolarHBondContact NZ-O 2.65Å; K76-H111 HydrophobicContact CD-CB 4.27Å; K76-F118 HydrophobicContact CB-CE2 4.44Å |
| 77 | E | 93.9 | Very high | 94.5 | Very high | 139 Ų | 139 | 52.6 Ų | 52.6 | 65% | 0.65 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -56.9 | -48.4 | 177.2 | -176.6 | 175 | -167.6 | 0 | 0 | 112.6 | P75 V79 V80 S81 F118 | P75-E77 VanDerWaalsContact C-N 3.3Å; P75-E77 PolarHBondContact O-N 3.28Å; P75-E77 VanDerWaalsContact O-N 3.15Å; E77-V79 PolarHBondContact O-N 2.89Å; E77-V80 PolarHBondContact O-N 3.42Å; E77-S81 PolarHBondContact O-N 3.39Å; E77-F118 HydrophobicContact CB-CE1 4.02Å; E77-F118 HydrophobicContact CB-CZ 3.71Å; E77-F118 HydrophobicContact CG-CE1 3.97Å; E77-F118 HydrophobicContact CG-CZ 4.09Å |
| 78 | K | 94.9 | Very high | 94.6 | Very high | 95 Ų | 95 | 53.3 Ų | 53.3 | 41% | 0.413 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.6 | -36.6 | 176.8 | -176.7 | 173.4 | 163.7 | -163.6 | 0 | 111.6 | E74 P75 S81 L82 | E74-K78 VanDerWaalsContact CD-CE 3.5Å; E74-K78 WeakPolarHBondContact OE1-CE 3.39Å; E74-K78 IonicContact OE1-NZ 2.67Å; E74-K78 PolarHBondContact OE1-NZ 2.64Å; E74-K78 WeakPolarHBondContact OE2-CD 3.31Å; E74-K78 WeakPolarHBondContact OE2-CE 3.3Å; E74-K78 IonicContact OE2-NZ 2.81Å; E74-K78 PolarHBondContact OE2-NZ 2.92Å; P75-K78 HydrophobicContact CG-CB 4.01Å; P75-K78 PolarHBondContact O-N 2.76Å; K78-S81 PolarHBondContact O-N 3.36Å; K78-L82 HydrophobicContact CG-CD1 3.92Å; K78-L82 HydrophobicContact CG-CG 4.38Å; K78-L82 WeakPolarHBondContact O-CB 3.15Å; K78-L82 VanDerWaalsContact O-CG 3.24Å; K78-L82 WeakPolarHBondContact O-CG 3.25Å; K78-L82 PolarHBondContact O-N 3.44Å |
| 79 | V | 95.8 | Very high | 94.6 | Very high | 7 Ų | 7 | 55.1 Ų | 55.1 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 173 | 179.1 | 0 | 0 | 0 | 0 | 111.4 | W71 E74 P75 K76 E77 L82 L83 L104 V108 | W71-V79 WeakPolarHBondContact O-CG2 3.49Å; E74-V79 HydrophobicContact CB-CG2 3.74Å; P75-V79 PolarHBondContact O-N 3.21Å; K76-V79 WeakPolarHBondContact O-CB 3.38Å; K76-V79 PolarHBondContact O-N 2.68Å; E77-V79 PolarHBondContact O-N 2.89Å; V79-L82 PolarHBondContact O-N 2.9Å; V79-L83 HydrophobicContact CG1-CD1 3.88Å; V79-L83 HydrophobicContact CG1-CG 4.27Å; V79-L83 WeakPolarHBondContact O-CB 3.36Å; V79-L83 WeakPolarHBondContact O-CG 3.49Å; V79-L83 PolarHBondContact O-N 3.15Å; V79-L104 HydrophobicContact CG1-CD2 4.21Å; V79-V108 HydrophobicContact CG1-CG2 3.98Å |
| 80 | V | 95.3 | Very high | 94.7 | Very high | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.03 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.8 | -46.8 | 175.9 | 169 | 0 | 0 | 0 | 0 | 111 | K76 E77 L83 L84 V108 F118 E121 | K76-V80 WeakPolarHBondContact O-CG2 3.32Å; K76-V80 PolarHBondContact O-N 3.43Å; E77-V80 PolarHBondContact O-N 3.42Å; V80-L83 PolarHBondContact O-N 2.88Å; V80-L84 HydrophobicContact CG1-CD1 4.23Å; V80-L84 WeakPolarHBondContact O-CG 3.43Å; V80-L84 PolarHBondContact O-N 3Å; V80-V108 HydrophobicContact CG2-CG1 3.74Å; V80-V108 HydrophobicContact CG2-CG2 4.12Å; V80-F118 HydrophobicContact CG1-CB 4.44Å; V80-F118 HydrophobicContact CG1-CD1 4.47Å; V80-F118 HydrophobicContact CG2-CB 4.13Å; V80-F118 HydrophobicContact CG2-CD2 4.47Å; V80-F118 HydrophobicContact CG2-CG 4.12Å; V80-E121 HydrophobicContact CG1-CB 3.41Å; V80-E121 VanDerWaalsContact CG1-CB 3.41Å; V80-E121 HydrophobicContact CG1-CG 3.86Å |
| 81 | S | 95.6 | Very high | 94.6 | Very high | 75 Ų | 75 | 51.8 Ų | 51.8 | 52% | 0.524 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 177.6 | 178.8 | 0 | 0 | 0 | 0 | 113.2 | E77 K78 L84 S85 | E77-S81 PolarHBondContact O-N 3.39Å; K78-S81 PolarHBondContact O-N 3.36Å; S81-L84 PolarHBondContact O-N 2.88Å; S81-S85 PolarHBondContact O-N 3.37Å; S81-S85 VanDerWaalsContact O-N 3.17Å; S81-S85 PolarHBondContact O-OG 3.28Å |
| 82 | L | 96.2 | Very high | 94.4 | Very high | 30 Ų | 30 | 55 Ų | 55 | 16% | 0.157 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.8 | -43 | 175.7 | -73.2 | 166.9 | 0 | 0 | 0 | 111.7 | W71 K78 V79 L84 S85 H86 | W71-L82 HydrophobicContact CD2-CB 4.15Å; W71-L82 HydrophobicContact CD2-CD1 4.02Å; W71-L82 HydrophobicContact CE3-CB 4.09Å; W71-L82 HydrophobicContact CG-CD1 3.92Å; W71-L82 HydrophobicContact CH2-CB 4.34Å; W71-L82 HydrophobicContact CZ2-CB 4.37Å; W71-L82 HydrophobicContact CZ2-CD2 4.33Å; W71-L82 HydrophobicContact CZ3-CB 4.19Å; K78-L82 HydrophobicContact CG-CD1 3.92Å; K78-L82 HydrophobicContact CG-CG 4.38Å; K78-L82 WeakPolarHBondContact O-CB 3.15Å; K78-L82 VanDerWaalsContact O-CG 3.24Å; K78-L82 WeakPolarHBondContact O-CG 3.25Å; K78-L82 PolarHBondContact O-N 3.44Å; V79-L82 PolarHBondContact O-N 2.9Å; L82-L84 PolarHBondContact O-N 3.08Å; L82-S85 PolarHBondContact O-OG 3.25Å; L82-S85 VanDerWaalsContact O-OG 3.09Å; L82-H86 VanDerWaalsContact O-CB 3.3Å; L82-H86 WeakPolarHBondContact O-CB 3.45Å; L82-H86 PolarHBondContact O-N 2.95Å; L82-H86 PolarHBondContact O-ND1 3.48Å |
| 83 | L | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 176 | -71.5 | 170.4 | 0 | 0 | 0 | 112 | W71 V79 V80 L87 Y101 L104 L105 V108 L125 | W71-L83 HydrophobicContact CZ3-CD2 4.45Å; V79-L83 HydrophobicContact CG1-CD1 3.88Å; V79-L83 HydrophobicContact CG1-CG 4.27Å; V79-L83 WeakPolarHBondContact O-CB 3.36Å; V79-L83 WeakPolarHBondContact O-CG 3.49Å; V79-L83 PolarHBondContact O-N 3.15Å; V80-L83 PolarHBondContact O-N 2.88Å; L83-L87 WeakPolarHBondContact O-CB 3.48Å; L83-L87 PolarHBondContact O-N 2.84Å; L83-Y101 HydrophobicContact CD2-CD1 3.56Å; L83-Y101 HydrophobicContact CD2-CE1 3.87Å; L83-L104 HydrophobicContact CD1-CB 4.15Å; L83-L104 HydrophobicContact CD2-CB 3.92Å; L83-L104 HydrophobicContact CD2-CD1 4.06Å; L83-L105 HydrophobicContact CD1-CD2 4.48Å; L83-V108 HydrophobicContact CD1-CG2 3.78Å; L83-L125 HydrophobicContact CB-CD1 4.17Å; L83-L125 HydrophobicContact CB-CD2 3.54Å; L83-L125 HydrophobicContact CD1-CD1 4.25Å |
| 84 | L | 95.4 | Very high | 94.2 | Very high | 34 Ų | 34 | 55.1 Ų | 55.1 | 18% | 0.178 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.7 | -41.3 | -179.3 | -81.4 | 170.9 | 0 | 0 | 0 | 112.5 | V80 S81 L82 P88 E121 Q124 L125 Y128 | V80-L84 HydrophobicContact CG1-CD1 4.23Å; V80-L84 WeakPolarHBondContact O-CG 3.43Å; V80-L84 PolarHBondContact O-N 3Å; S81-L84 PolarHBondContact O-N 2.88Å; L82-L84 PolarHBondContact O-N 3.08Å; L84-P88 VanDerWaalsContact O-CD 3.25Å; L84-P88 WeakPolarHBondContact O-CD 3.38Å; L84-E121 HydrophobicContact CD1-CB 3.95Å; L84-E121 HydrophobicContact CD1-CG 4.08Å; L84-Q124 HydrophobicContact CD2-CB 3.74Å; L84-L125 HydrophobicContact CB-CD2 4.45Å; L84-L125 HydrophobicContact CD2-CD2 3.79Å; L84-L125 HydrophobicContact CD2-CG 3.78Å; L84-L125 HydrophobicContact CG-CD2 3.89Å; L84-L125 HydrophobicContact CG-CG 4.03Å; L84-Y128 HydrophobicContact CD2-CD2 4.39Å; L84-Y128 HydrophobicContact CD2-CE2 4.29Å |
| 85 | S | 95 | Very high | 94.1 | Very high | 54 Ų | 54 | 56.1 Ų | 56.1 | 38% | 0.378 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -76 | -37.5 | -179.9 | 44.5 | 0 | 0 | 0 | 0 | 113.3 | S81 L82 | S81-S85 PolarHBondContact O-N 3.37Å; S81-S85 VanDerWaalsContact O-N 3.17Å; S81-S85 PolarHBondContact O-OG 3.28Å; L82-S85 PolarHBondContact O-OG 3.25Å; L82-S85 VanDerWaalsContact O-OG 3.09Å |
| 86 | H | 96 | Very high | 94.1 | Very high | 6 Ų | 6 | 59.2 Ų | 59.2 | 3% | 0.028 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -97.7 | -27.9 | -171.1 | -64.3 | 70.8 | 0 | 0 | 0 | 114.4 | A62 W71 L82 P88 L89 L90 Y101 | A62-H86 HydrophobicContact CB-CB 3.76Å; A62-H86 WeakPolarHBondContact CB-O 3.36Å; W71-H86 HydrophobicContact CH2-CB 3.72Å; W71-H86 AromaticContact CH2-CD2 3.82Å; W71-H86 AromaticContact CH2-CG 3.61Å; W71-H86 HydrophobicContact CZ3-CB 4.35Å; L82-H86 VanDerWaalsContact O-CB 3.3Å; L82-H86 WeakPolarHBondContact O-CB 3.45Å; L82-H86 PolarHBondContact O-N 2.95Å; L82-H86 PolarHBondContact O-ND1 3.48Å; H86-P88 VanDerWaalsContact C-CD 3.45Å; H86-L89 PolarHBondContact O-N 3.34Å; H86-L90 PolarHBondContact O-N 3.29Å; H86-Y101 HydrophobicContact CB-CE1 4.47Å; H86-Y101 VanDerWaalsContact CB-OH 3.28Å; H86-Y101 WeakPolarHBondContact CB-OH 3.39Å |
| 87 | L | 95.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -58.7 | -35.6 | 179.3 | 179.6 | 64.2 | 0 | 0 | 0 | 114 | L83 L89 L90 Y101 L105 L125 A129 | L83-L87 WeakPolarHBondContact O-CB 3.48Å; L83-L87 PolarHBondContact O-N 2.84Å; L87-L89 PolarHBondContact O-N 2.7Å; L87-L90 HydrophobicContact CD1-CD2 4.41Å; L87-L90 PolarHBondContact O-N 3.15Å; L87-Y101 HydrophobicContact CB-CD1 4.36Å; L87-Y101 HydrophobicContact CB-CE1 4.25Å; L87-Y101 HydrophobicContact CD1-CD1 3.88Å; L87-Y101 HydrophobicContact CD1-CE1 4.43Å; L87-Y101 HydrophobicContact CD1-CG 4.13Å; L87-L105 HydrophobicContact CD2-CD1 4.29Å; L87-L105 HydrophobicContact CD2-CD2 4.35Å; L87-L125 HydrophobicContact CD2-CD2 4.17Å; L87-A129 HydrophobicContact CD2-CB 4.19Å |
| 88 | P | 95.2 | Very high | 94.4 | Very high | 50 Ų | 50 | 51 Ų | 51 | 33% | 0.325 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -66.5 | -18.3 | 173.6 | -22.5 | 35.4 | 0 | 0 | 0 | 114.6 | L84 H86 Y128 | L84-P88 VanDerWaalsContact O-CD 3.25Å; L84-P88 WeakPolarHBondContact O-CD 3.38Å; H86-P88 VanDerWaalsContact C-CD 3.45Å; P88-Y128 HydrophobicContact CG-CD1 4.05Å; P88-Y128 HydrophobicContact CG-CD2 4.11Å; P88-Y128 HydrophobicContact CG-CE1 3.92Å; P88-Y128 HydrophobicContact CG-CE2 3.95Å; P88-Y128 HydrophobicContact CG-CG 4.15Å |
| 89 | L | 95.2 | Very high | 94.4 | Very high | 38 Ų | 38 | 49.5 Ų | 49.5 | 20% | 0.199 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -99.1 | 0.5 | -176.6 | -53.4 | 178.8 | 0 | 0 | 0 | 113.2 | I55 L58 E59 A62 N63 H86 L87 Q91 | I55-L89 HydrophobicContact CD1-CD1 3.93Å; I55-L89 HydrophobicContact CD1-CD2 4.07Å; I55-L89 HydrophobicContact CG1-CD2 4.3Å; L58-L89 HydrophobicContact CB-CD1 3.62Å; E59-L89 HydrophobicContact CB-CB 4.41Å; E59-L89 HydrophobicContact CG-CB 4.43Å; A62-L89 HydrophobicContact CB-CB 3.92Å; N63-L89 PolarHBondContact ND2-O 3.3Å; H86-L89 PolarHBondContact O-N 3.34Å; L87-L89 PolarHBondContact O-N 2.7Å; L89-Q91 PolarHBondContact O-N 3.11Å |
| 90 | L | 96.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | trans | -65.1 | 124.8 | 178.2 | 170.9 | 63.9 | 0 | 0 | 0 | 110.9 | H86 L87 N94 A97 K98 Y101 H132 A134 | H86-L90 PolarHBondContact O-N 3.29Å; L87-L90 HydrophobicContact CD1-CD2 4.41Å; L87-L90 PolarHBondContact O-N 3.15Å; L90-N94 HydrophobicContact CD1-CB 4.25Å; L90-A97 HydrophobicContact CD1-CB 3.74Å; L90-K98 HydrophobicContact CD2-CB 4.12Å; L90-K98 HydrophobicContact CD2-CG 4.09Å; L90-Y101 HydrophobicContact CB-CE2 4.35Å; L90-Y101 HydrophobicContact CD1-CD2 4.05Å; L90-Y101 HydrophobicContact CD1-CE2 3.99Å; L90-Y101 HydrophobicContact CD2-CD2 3.82Å; L90-Y101 HydrophobicContact CD2-CE2 4.34Å; L90-Y101 HydrophobicContact CD2-CG 4.39Å; L90-Y101 HydrophobicContact CG-CD2 4.39Å; L90-Y101 HydrophobicContact CG-CE2 4.45Å; L90-H132 PolarHBondContact O-CE1 2.96Å; L90-H132 PolarHBondContact O-NE2 2.98Å; L90-H132 VanDerWaalsContact O-NE2 3.11Å; L90-A134 HydrophobicContact CD2-CB 3.93Å; L90-A134 HydrophobicContact CG-CB 4.11Å | ||
| 91 | Q | 93.9 | Very high | 94.5 | Very high | 92 Ų | 92 | 50.5 Ų | 50.5 | 43% | 0.43 | 27% | 0.272 | S | S | . | . | trans | -72.2 | 134.3 | -179.2 | -70.9 | 178.6 | 1.9 | 0 | 0 | 111.7 | E59 N63 L89 R93 N94 | E59-Q91 PolarHBondContact OE1-NE2 3.4Å; N63-Q91 VanDerWaalsContact OD1-CB 3.29Å; N63-Q91 WeakPolarHBondContact OD1-CB 3.43Å; N63-Q91 WeakPolarHBondContact OD1-CG 3.3Å; N63-Q91 PolarHBondContact OD1-N 3.43Å; L89-Q91 PolarHBondContact O-N 3.11Å; Q91-R93 PolarHBondContact O-N 3.16Å; Q91-N94 HydrophobicContact CB-CB 4.27Å; Q91-N94 WeakPolarHBondContact O-CB 3.33Å; Q91-N94 PolarHBondContact O-N 3.42Å | ||
| 92 | P | 90 | Very high | 94.4 | Very high | 80 Ų | 80 | 47.8 Ų | 47.8 | 52% | 0.519 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -13.2 | -176 | -29.5 | 37.5 | 0 | 0 | 0 | 117.4 | P133 | P92-P133 HydrophobicContact CB-CB 4.08Å; P92-P133 HydrophobicContact CG-CB 3.79Å; P92-P133 HydrophobicContact CG-CG 4.22Å |
| 93 | R | 86.6 | Confident | 94.4 | Very high | 200 Ų | 200 | 51.3 Ų | 51.3 | 76% | 0.755 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -5.7 | 177.5 | -69 | 176.6 | 171.8 | 157.9 | -6.1 | 113.4 | Q91 C95 E375 | Q91-R93 PolarHBondContact O-N 3.16Å; R93-C95 PolarHBondContact O-N 2.9Å; R93-C95 VanDerWaalsContact O-N 3.1Å; R93-E375 PolarHBondContact NH2-O 3.37Å |
| 94 | N | 92 | Very high | 94.3 | Very high | 34 Ų | 34 | 51.3 Ų | 51.3 | 18% | 0.182 | 27% | 0.265 | C | S | . | . | trans | -86.5 | 78.2 | -175.8 | -170.7 | -11.6 | 0 | 0 | 0 | 111.7 | N63 L90 Q91 E96 A97 K98 | N63-N94 WeakPolarHBondContact CA-ND2 3.42Å; N63-N94 WeakPolarHBondContact CB-ND2 3.27Å; N63-N94 PolarHBondContact O-ND2 3.15Å; N63-N94 PolarHBondContact OD1-ND2 3.01Å; L90-N94 HydrophobicContact CD1-CB 4.25Å; Q91-N94 HydrophobicContact CB-CB 4.27Å; Q91-N94 WeakPolarHBondContact O-CB 3.33Å; Q91-N94 PolarHBondContact O-N 3.42Å; N94-E96 VanDerWaalsContact C-N 3.26Å; N94-E96 PolarHBondContact O-N 3.19Å; N94-A97 WeakPolarHBondContact ND2-CB 3.17Å; N94-A97 WeakPolarHBondContact OD1-CB 3.42Å; N94-A97 PolarHBondContact OD1-N 3.13Å; N94-K98 WeakPolarHBondContact O-CB 3.17Å; N94-K98 PolarHBondContact O-N 2.79Å; N94-K98 VanDerWaalsContact O-N 3.09Å | ||
| 95 | C | 92.5 | Very high | 94.3 | Very high | 92 Ų | 92 | 49.8 Ų | 49.8 | 62% | 0.622 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -62.4 | -30.7 | -179.5 | -67 | 0 | 0 | 0 | 0 | 113.5 | R93 C99 | R93-C95 PolarHBondContact O-N 2.9Å; R93-C95 VanDerWaalsContact O-N 3.1Å; C95-C99 PolarHBondContact O-N 3Å; C95-C99 VanDerWaalsContact O-N 3.11Å; C95-C99 PolarHBondContact O-SG 3.42Å |
| 96 | E | 94.5 | Very high | 94.3 | Very high | 148 Ų | 148 | 51.5 Ų | 51.5 | 69% | 0.692 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -70.5 | -52.9 | -177.8 | -64.8 | -177.1 | -174 | 0 | 0 | 111.1 | A65 N94 K98 C99 E100 | A65-E96 HydrophobicContact CB-CB 4.03Å; N94-E96 VanDerWaalsContact C-N 3.26Å; N94-E96 PolarHBondContact O-N 3.19Å; E96-K98 VanDerWaalsContact C-N 3.32Å; E96-K98 PolarHBondContact O-N 3.11Å; E96-C99 WeakPolarHBondContact O-CB 3.37Å; E96-C99 PolarHBondContact O-N 3.21Å; E96-E100 PolarHBondContact O-N 3.42Å |
| 97 | A | 94.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | A65 L90 N94 C99 E100 Y101 | A65-A97 HydrophobicContact CB-CB 4.34Å; L90-A97 HydrophobicContact CD1-CB 3.74Å; N94-A97 WeakPolarHBondContact ND2-CB 3.17Å; N94-A97 WeakPolarHBondContact OD1-CB 3.42Å; N94-A97 PolarHBondContact OD1-N 3.13Å; A97-C99 PolarHBondContact O-N 2.92Å; A97-E100 PolarHBondContact O-N 2.96Å; A97-Y101 HydrophobicContact CB-CD2 4.48Å; A97-Y101 HydrophobicContact CB-CE2 4.33Å; A97-Y101 WeakPolarHBondContact O-CD2 3.47Å; A97-Y101 PolarHBondContact O-N 3.19Å |
| 98 | K | 95.7 | Very high | 94.1 | Very high | 28 Ų | 28 | 55.2 Ų | 55.2 | 12% | 0.122 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -53.7 | -39.1 | 176.4 | -163.3 | -138.5 | 73.3 | 164.4 | 0 | 112.3 | L90 N94 E96 Y101 M102 A134 D139 | L90-K98 HydrophobicContact CD2-CB 4.12Å; L90-K98 HydrophobicContact CD2-CG 4.09Å; N94-K98 WeakPolarHBondContact O-CB 3.17Å; N94-K98 PolarHBondContact O-N 2.79Å; N94-K98 VanDerWaalsContact O-N 3.09Å; E96-K98 VanDerWaalsContact C-N 3.32Å; E96-K98 PolarHBondContact O-N 3.11Å; K98-Y101 PolarHBondContact O-N 3.15Å; K98-M102 HydrophobicContact CG-CE 4.48Å; K98-M102 WeakPolarHBondContact O-CG 3.26Å; K98-M102 PolarHBondContact O-N 3.05Å; K98-A134 VanDerWaalsContact CD-O 3.32Å; K98-A134 WeakPolarHBondContact CD-O 3.36Å; K98-A134 HydrophobicContact CG-CB 4.43Å; K98-D139 IonicContact NZ-OD1 2.78Å; K98-D139 PolarHBondContact NZ-OD1 3.3Å; K98-D139 IonicContact NZ-OD2 2.68Å; K98-D139 PolarHBondContact NZ-OD2 3.05Å |
| 99 | C | 94.7 | Very high | 94.1 | Very high | 63 Ų | 63 | 53 Ų | 53 | 43% | 0.426 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.4 | -37.4 | 177.5 | -76.7 | 0 | 0 | 0 | 0 | 112.9 | C95 E96 A97 K103 | C95-C99 PolarHBondContact O-N 3Å; C95-C99 VanDerWaalsContact O-N 3.11Å; C95-C99 PolarHBondContact O-SG 3.42Å; E96-C99 WeakPolarHBondContact O-CB 3.37Å; E96-C99 PolarHBondContact O-N 3.21Å; A97-C99 PolarHBondContact O-N 2.92Å; C99-K103 WeakPolarHBondContact O-CG 3.49Å; C99-K103 PolarHBondContact O-N 2.67Å |
| 100 | E | 96 | Very high | 94 | Very high | 33 Ų | 33 | 53.7 Ų | 53.7 | 15% | 0.154 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71.3 | -40.2 | 173.8 | -57.9 | -45.9 | 123.8 | 0 | 0 | 112.2 | V68 H72 E96 A97 M102 K103 L104 | V68-E100 HydrophobicContact CB-CB 4.17Å; V68-E100 HydrophobicContact CG1-CB 3.64Å; H72-E100 IonicContact CE1-OE2 3.19Å; E96-E100 PolarHBondContact O-N 3.42Å; A97-E100 PolarHBondContact O-N 2.96Å; E100-M102 VanDerWaalsContact C-N 3.35Å; E100-M102 PolarHBondContact O-N 3.4Å; E100-K103 PolarHBondContact O-N 3.01Å; E100-K103 IonicContact OE1-NZ 2.86Å; E100-K103 PolarHBondContact OE1-NZ 3.26Å; E100-K103 WeakPolarHBondContact OE2-CD 3.24Å; E100-K103 IonicContact OE2-NZ 3.46Å; E100-K103 PolarHBondContact OE2-NZ 2.73Å; E100-L104 WeakPolarHBondContact O-CG 3.31Å; E100-L104 PolarHBondContact O-N 2.84Å |
| 101 | Y | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.4 | -44.4 | 172.3 | -79.8 | -75.6 | 0 | 0 | 0 | 112.5 | A62 V68 W71 L83 H86 L87 L90 A97 K98 K103 L104 L105 | A62-Y101 VanDerWaalsContact CA-OH 3.31Å; A62-Y101 WeakPolarHBondContact CA-OH 3.49Å; A62-Y101 VanDerWaalsContact O-CE2 3.3Å; A62-Y101 WeakPolarHBondContact O-CE2 3.49Å; A62-Y101 PolarHBondContact O-OH 3.08Å; A62-Y101 VanDerWaalsContact O-OH 3.12Å; V68-Y101 HydrophobicContact CG1-CD2 4.32Å; V68-Y101 HydrophobicContact CG1-CE1 4.44Å; V68-Y101 HydrophobicContact CG1-CE2 4.2Å; V68-Y101 HydrophobicContact CG1-CG 4.46Å; V68-Y101 HydrophobicContact CG2-CE2 3.83Å; W71-Y101 AromaticContact CZ3-CE1 3.98Å; W71-Y101 HydrophobicContact CZ3-CE1 3.98Å; L83-Y101 HydrophobicContact CD2-CD1 3.56Å; L83-Y101 HydrophobicContact CD2-CE1 3.87Å; H86-Y101 HydrophobicContact CB-CE1 4.47Å; H86-Y101 VanDerWaalsContact CB-OH 3.28Å; H86-Y101 WeakPolarHBondContact CB-OH 3.39Å; L87-Y101 HydrophobicContact CB-CD1 4.36Å; L87-Y101 HydrophobicContact CB-CE1 4.25Å; L87-Y101 HydrophobicContact CD1-CD1 3.88Å; L87-Y101 HydrophobicContact CD1-CE1 4.43Å; L87-Y101 HydrophobicContact CD1-CG 4.13Å; L90-Y101 HydrophobicContact CB-CE2 4.35Å; L90-Y101 HydrophobicContact CD1-CD2 4.05Å; L90-Y101 HydrophobicContact CD1-CE2 3.99Å; L90-Y101 HydrophobicContact CD2-CD2 3.82Å; L90-Y101 HydrophobicContact CD2-CE2 4.34Å; L90-Y101 HydrophobicContact CD2-CG 4.39Å; L90-Y101 HydrophobicContact CG-CD2 4.39Å; L90-Y101 HydrophobicContact CG-CE2 4.45Å; A97-Y101 HydrophobicContact CB-CD2 4.48Å; A97-Y101 HydrophobicContact CB-CE2 4.33Å; A97-Y101 WeakPolarHBondContact O-CD2 3.47Å; A97-Y101 PolarHBondContact O-N 3.19Å; K98-Y101 PolarHBondContact O-N 3.15Å; Y101-K103 VanDerWaalsContact C-N 3.33Å; Y101-K103 PolarHBondContact O-N 3.04Å; Y101-L104 PolarHBondContact O-N 2.9Å; Y101-L105 WeakPolarHBondContact O-CB 3.48Å; Y101-L105 VanDerWaalsContact O-CG 3.26Å; Y101-L105 WeakPolarHBondContact O-CG 3.35Å; Y101-L105 PolarHBondContact O-N 3.08Å |
| 102 | M | 95.3 | Very high | 93.8 | Very high | 18 Ų | 18 | 51.2 Ų | 51.2 | 9% | 0.089 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.8 | -36.1 | 179.9 | -67 | -53.1 | 106.6 | 0 | 0 | 112.4 | K98 E100 L105 Q106 T135 D139 L143 | K98-M102 HydrophobicContact CG-CE 4.48Å; K98-M102 WeakPolarHBondContact O-CG 3.26Å; K98-M102 PolarHBondContact O-N 3.05Å; E100-M102 VanDerWaalsContact C-N 3.35Å; E100-M102 PolarHBondContact O-N 3.4Å; M102-L105 HydrophobicContact CE-CD1 3.64Å; M102-L105 HydrophobicContact SD-CD1 4.32Å; M102-Q106 VanDerWaalsContact O-CG 3.27Å; M102-Q106 WeakPolarHBondContact O-CG 3.5Å; M102-Q106 PolarHBondContact O-N 3.22Å; M102-Q106 VanDerWaalsContact O-N 3.16Å; M102-T135 HydrophobicContact CE-CG2 3.99Å; M102-D139 HydrophobicContact SD-CB 4.27Å; M102-L143 HydrophobicContact SD-CD1 4.32Å |
| 103 | K | 94.7 | Very high | 93.9 | Very high | 104 Ų | 104 | 48.3 Ų | 48.3 | 45% | 0.452 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.3 | -47.3 | 173.4 | -67.2 | 165.1 | -175.6 | 172.8 | 0 | 111.7 | C99 E100 Y101 Q106 K107 | C99-K103 WeakPolarHBondContact O-CG 3.49Å; C99-K103 PolarHBondContact O-N 2.67Å; E100-K103 PolarHBondContact O-N 3.01Å; E100-K103 IonicContact OE1-NZ 2.86Å; E100-K103 PolarHBondContact OE1-NZ 3.26Å; E100-K103 WeakPolarHBondContact OE2-CD 3.24Å; E100-K103 IonicContact OE2-NZ 3.46Å; E100-K103 PolarHBondContact OE2-NZ 2.73Å; Y101-K103 VanDerWaalsContact C-N 3.33Å; Y101-K103 PolarHBondContact O-N 3.04Å; K103-Q106 PolarHBondContact O-N 2.94Å; K103-K107 WeakPolarHBondContact O-CB 3.46Å; K103-K107 PolarHBondContact O-N 3.47Å |
| 104 | L | 95.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.5 | -42.3 | -179.9 | -73.6 | 175.7 | 0 | 0 | 0 | 112.2 | V68 W71 V79 L83 E100 Y101 Q106 K107 V108 | V68-L104 HydrophobicContact CG1-CD1 3.66Å; W71-L104 HydrophobicContact CB-CD1 4.14Å; W71-L104 HydrophobicContact CE3-CD1 3.84Å; V79-L104 HydrophobicContact CG1-CD2 4.21Å; L83-L104 HydrophobicContact CD1-CB 4.15Å; L83-L104 HydrophobicContact CD2-CB 3.92Å; L83-L104 HydrophobicContact CD2-CD1 4.06Å; E100-L104 WeakPolarHBondContact O-CG 3.31Å; E100-L104 PolarHBondContact O-N 2.84Å; Y101-L104 PolarHBondContact O-N 2.9Å; L104-Q106 PolarHBondContact O-N 2.67Å; L104-K107 CarbonylContact O-C 3.56Å; L104-K107 PolarHBondContact O-N 3.32Å; L104-V108 WeakPolarHBondContact O-CG2 3.13Å; L104-V108 PolarHBondContact O-N 2.71Å |
| 105 | L | 95.4 | Very high | 94 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.2 | -48 | 174.5 | -76.1 | 169.9 | 0 | 0 | 0 | 111.2 | L83 L87 Y101 M102 K107 V108 L109 L125 A129 L143 | L83-L105 HydrophobicContact CD1-CD2 4.48Å; L87-L105 HydrophobicContact CD2-CD1 4.29Å; L87-L105 HydrophobicContact CD2-CD2 4.35Å; Y101-L105 WeakPolarHBondContact O-CB 3.48Å; Y101-L105 VanDerWaalsContact O-CG 3.26Å; Y101-L105 WeakPolarHBondContact O-CG 3.35Å; Y101-L105 PolarHBondContact O-N 3.08Å; M102-L105 HydrophobicContact CE-CD1 3.64Å; M102-L105 HydrophobicContact SD-CD1 4.32Å; L105-K107 PolarHBondContact O-N 3.33Å; L105-V108 PolarHBondContact O-N 3.29Å; L105-L109 WeakPolarHBondContact O-CB 3.34Å; L105-L109 WeakPolarHBondContact O-CD1 3.16Å; L105-L109 WeakPolarHBondContact O-CG 3.19Å; L105-L109 PolarHBondContact O-N 2.72Å; L105-L125 HydrophobicContact CD2-CB 3.83Å; L105-L125 HydrophobicContact CD2-CD1 4.22Å; L105-L125 HydrophobicContact CD2-CD2 4.23Å; L105-L125 HydrophobicContact CD2-CG 4.33Å; L105-A129 HydrophobicContact CD1-CB 4.13Å; L105-L143 HydrophobicContact CD1-CD2 4.46Å |
| 106 | Q | 94.6 | Very high | 93.9 | Very high | 89 Ų | 89 | 45.5 Ų | 45.5 | 42% | 0.416 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.5 | -46.3 | 174.1 | -69.8 | 169 | 24.8 | 0 | 0 | 111.3 | M102 K103 L104 V108 L109 T110 W146 | M102-Q106 VanDerWaalsContact O-CG 3.27Å; M102-Q106 WeakPolarHBondContact O-CG 3.5Å; M102-Q106 PolarHBondContact O-N 3.22Å; M102-Q106 VanDerWaalsContact O-N 3.16Å; K103-Q106 PolarHBondContact O-N 2.94Å; L104-Q106 PolarHBondContact O-N 2.67Å; Q106-V108 PolarHBondContact O-N 3.5Å; Q106-L109 PolarHBondContact O-N 2.62Å; Q106-T110 PolarHBondContact O-N 3.21Å; Q106-T110 PolarHBondContact O-OG1 3.33Å; Q106-T110 VanDerWaalsContact O-OG1 3.05Å; Q106-W146 HydrophobicContact CG-CZ2 4.41Å |
| 107 | K | 93.3 | Very high | 93.8 | Very high | 84 Ų | 84 | 43 Ų | 43 | 37% | 0.365 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.1 | -28.3 | 178 | -165.5 | -168.9 | 179.7 | -166.7 | 0 | 113.3 | H72 K76 K103 L104 L105 | H72-K107 PolarHBondContact O-NZ 3.08Å; K76-K107 PolarHBondContact NZ-O 2.65Å; K103-K107 WeakPolarHBondContact O-CB 3.46Å; K103-K107 PolarHBondContact O-N 3.47Å; L104-K107 CarbonylContact O-C 3.56Å; L104-K107 PolarHBondContact O-N 3.32Å; L105-K107 PolarHBondContact O-N 3.33Å |
| 108 | V | 94.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.012 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -79.3 | -51.9 | 173.3 | 165.2 | 0 | 0 | 0 | 0 | 110.3 | V79 V80 L83 L104 L105 Q106 T110 H111 T112 L125 | V79-V108 HydrophobicContact CG1-CG2 3.98Å; V80-V108 HydrophobicContact CG2-CG1 3.74Å; V80-V108 HydrophobicContact CG2-CG2 4.12Å; L83-V108 HydrophobicContact CD1-CG2 3.78Å; L104-V108 WeakPolarHBondContact O-CG2 3.13Å; L104-V108 PolarHBondContact O-N 2.71Å; L105-V108 PolarHBondContact O-N 3.29Å; Q106-V108 PolarHBondContact O-N 3.5Å; V108-T110 PolarHBondContact O-N 3.08Å; V108-H111 CarbonylContact O-C 3.57Å; V108-H111 WeakPolarHBondContact O-CA 3.44Å; V108-H111 WeakPolarHBondContact O-CB 3.37Å; V108-H111 PolarHBondContact O-N 3.38Å; V108-T112 PolarHBondContact O-N 2.9Å; V108-T112 PolarHBondContact O-OG1 2.92Å; V108-L125 HydrophobicContact CG1-CD1 4.23Å |
| 109 | L | 93.9 | Very high | 93.5 | Very high | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60 | -44.2 | -175.9 | -70.5 | 163.8 | 0 | 0 | 0 | 112.8 | L105 Q106 H111 T112 I113 L126 W146 | L105-L109 WeakPolarHBondContact O-CB 3.34Å; L105-L109 WeakPolarHBondContact O-CD1 3.16Å; L105-L109 WeakPolarHBondContact O-CG 3.19Å; L105-L109 PolarHBondContact O-N 2.72Å; Q106-L109 PolarHBondContact O-N 2.62Å; L109-H111 VanDerWaalsContact C-N 3.29Å; L109-H111 PolarHBondContact O-N 3.15Å; L109-T112 PolarHBondContact O-N 3.12Å; L109-I113 WeakPolarHBondContact O-CD1 3.35Å; L109-I113 WeakPolarHBondContact O-CG1 3.37Å; L109-I113 PolarHBondContact O-N 3.25Å; L109-L126 HydrophobicContact CD1-CD2 3.85Å; L109-L126 HydrophobicContact CD1-CG 4.31Å; L109-L126 HydrophobicContact CD2-CD1 3.72Å; L109-L126 HydrophobicContact CD2-CD2 4.28Å; L109-L126 HydrophobicContact CD2-CG 3.9Å; L109-W146 HydrophobicContact CB-CD2 4.22Å; L109-W146 HydrophobicContact CB-CE3 3.72Å; L109-W146 HydrophobicContact CB-CZ3 4.06Å; L109-W146 HydrophobicContact CD1-CB 4.04Å; L109-W146 HydrophobicContact CD1-CD2 4.3Å; L109-W146 HydrophobicContact CD1-CG 4.08Å |
| 110 | T | 94.1 | Very high | 93.4 | Very high | 52 Ų | 52 | 45.8 Ų | 45.8 | 32% | 0.319 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -54.3 | -47.1 | 172.1 | -58.3 | 0 | 0 | 0 | 0 | 111.4 | Q106 V108 I113 E114 W146 | Q106-T110 PolarHBondContact O-N 3.21Å; Q106-T110 PolarHBondContact O-OG1 3.33Å; Q106-T110 VanDerWaalsContact O-OG1 3.05Å; V108-T110 PolarHBondContact O-N 3.08Å; T110-I113 PolarHBondContact O-N 2.8Å; T110-E114 HydrophobicContact CG2-CG 4.34Å; T110-E114 WeakPolarHBondContact CG2-OE1 3.45Å; T110-E114 WeakPolarHBondContact O-CB 3.44Å; T110-E114 VanDerWaalsContact O-CG 3.28Å; T110-E114 WeakPolarHBondContact O-CG 3.28Å; T110-E114 PolarHBondContact O-N 3.03Å; T110-W146 VanDerWaalsContact OG1-CH2 3.28Å; T110-W146 WeakPolarHBondContact OG1-CH2 3.45Å |
| 111 | H | 93.1 | Very high | 93.3 | Very high | 43 Ų | 43 | 47.4 Ų | 47.4 | 20% | 0.199 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.1 | -35.7 | -179 | 171.6 | -82.5 | 0 | 0 | 0 | 112.7 | K76 V108 L109 I113 E114 S115 | K76-H111 HydrophobicContact CD-CB 4.27Å; V108-H111 CarbonylContact O-C 3.57Å; V108-H111 WeakPolarHBondContact O-CA 3.44Å; V108-H111 WeakPolarHBondContact O-CB 3.37Å; V108-H111 PolarHBondContact O-N 3.38Å; L109-H111 VanDerWaalsContact C-N 3.29Å; L109-H111 PolarHBondContact O-N 3.15Å; H111-I113 VanDerWaalsContact C-N 3.31Å; H111-E114 PolarHBondContact O-N 3.44Å; H111-S115 PolarHBondContact CE1-OG 2.96Å; H111-S115 PolarHBondContact ND1-OG 2.9Å; H111-S115 VanDerWaalsContact O-CB 3.26Å; H111-S115 WeakPolarHBondContact O-CB 3.45Å; H111-S115 PolarHBondContact O-N 3.06Å; H111-S115 PolarHBondContact O-OG 2.68Å |
| 112 | T | 93.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.8 | -40.3 | 173.4 | -64.3 | 0 | 0 | 0 | 0 | 111.2 | V108 L109 S116 L117 V119 S122 L150 | V108-T112 PolarHBondContact O-N 2.9Å; V108-T112 PolarHBondContact O-OG1 2.92Å; L109-T112 PolarHBondContact O-N 3.12Å; T112-S116 WeakPolarHBondContact O-CA 3.29Å; T112-S116 PolarHBondContact O-N 3.12Å; T112-L117 WeakPolarHBondContact CA-O 3.45Å; T112-L117 WeakPolarHBondContact CB-O 3.31Å; T112-L117 WeakPolarHBondContact CG2-O 2.9Å; T112-L117 PolarHBondContact OG1-O 3.42Å; T112-V119 HydrophobicContact CG2-CB 4.49Å; T112-V119 HydrophobicContact CG2-CG2 4Å; T112-S122 WeakPolarHBondContact CG2-OG 3.47Å; T112-S122 PolarHBondContact OG1-OG 3.37Å; T112-L150 HydrophobicContact CG2-CD1 3.69Å |
| 113 | I | 91.5 | Very high | 93.1 | Very high | 19 Ų | 19 | 50.9 Ų | 50.9 | 10% | 0.097 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.8 | -48.9 | 174.7 | -70 | 155.1 | 0 | 0 | 0 | 110.4 | L109 T110 H111 S115 W146 H149 L150 H153 | L109-I113 WeakPolarHBondContact O-CD1 3.35Å; L109-I113 WeakPolarHBondContact O-CG1 3.37Å; L109-I113 PolarHBondContact O-N 3.25Å; T110-I113 PolarHBondContact O-N 2.8Å; H111-I113 VanDerWaalsContact C-N 3.31Å; I113-S115 PolarHBondContact O-N 2.81Å; I113-W146 HydrophobicContact CD1-CE3 3.84Å; I113-W146 HydrophobicContact CD1-CZ3 3.77Å; I113-H149 VanDerWaalsContact CD1-CD2 3.48Å; I113-H149 WeakPolarHBondContact CD1-CD2 3.33Å; I113-L150 HydrophobicContact CG1-CD1 4.22Å; I113-H153 PolarHBondContact O-CE1 3.07Å; I113-H153 PolarHBondContact O-NE2 2.91Å |
| 114 | E | 91.3 | Very high | 93.1 | Very high | 152 Ų | 152 | 47.5 Ų | 47.5 | 71% | 0.71 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -63.7 | -36 | -179.6 | -72.3 | 170.1 | 165.3 | 0 | 0 | 114.3 | T110 H111 | T110-E114 HydrophobicContact CG2-CG 4.34Å; T110-E114 WeakPolarHBondContact CG2-OE1 3.45Å; T110-E114 WeakPolarHBondContact O-CB 3.44Å; T110-E114 VanDerWaalsContact O-CG 3.28Å; T110-E114 WeakPolarHBondContact O-CG 3.28Å; T110-E114 PolarHBondContact O-N 3.03Å; H111-E114 PolarHBondContact O-N 3.44Å |
| 115 | S | 89.4 | Confident | 93.1 | Very high | 43 Ų | 43 | 47.6 Ų | 47.6 | 30% | 0.301 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -105.9 | -14.6 | -173.8 | 68.9 | 0 | 0 | 0 | 0 | 114.8 | H111 I113 L117 | H111-S115 PolarHBondContact CE1-OG 2.96Å; H111-S115 PolarHBondContact ND1-OG 2.9Å; H111-S115 VanDerWaalsContact O-CB 3.26Å; H111-S115 WeakPolarHBondContact O-CB 3.45Å; H111-S115 PolarHBondContact O-N 3.06Å; H111-S115 PolarHBondContact O-OG 2.68Å; I113-S115 PolarHBondContact O-N 2.81Å; S115-L117 PolarHBondContact O-N 2.64Å; S115-L117 WeakPolarHBondContact OG-CB 3.37Å; S115-L117 PolarHBondContact OG-N 3.4Å |
| 116 | S | 90.1 | Very high | 93 | Very high | 72 Ų | 72 | 47.6 Ų | 47.6 | 50% | 0.503 | 24% | 0.238 | S | C | . | . | trans | 58 | 18.2 | -168 | -52.6 | 0 | 0 | 0 | 0 | 115.2 | T112 | T112-S116 WeakPolarHBondContact O-CA 3.29Å; T112-S116 PolarHBondContact O-N 3.12Å | ||
| 117 | L | 91.3 | Very high | 93 | Very high | 96 Ų | 96 | 45 Ų | 45 | 50% | 0.503 | 23% | 0.23 | S | C | . | . | trans | -99.1 | 153.6 | 175.7 | -57.9 | 178.1 | 0 | 0 | 0 | 111.5 | T112 S115 V119 | T112-L117 WeakPolarHBondContact CA-O 3.45Å; T112-L117 WeakPolarHBondContact CB-O 3.31Å; T112-L117 WeakPolarHBondContact CG2-O 2.9Å; T112-L117 PolarHBondContact OG1-O 3.42Å; S115-L117 PolarHBondContact O-N 2.64Å; S115-L117 WeakPolarHBondContact OG-CB 3.37Å; S115-L117 PolarHBondContact OG-N 3.4Å; L117-V119 VanDerWaalsContact C-N 3.34Å; L117-V119 PolarHBondContact O-N 3.27Å | ||
| 118 | F | 92.6 | Very high | 93.1 | Very high | 49 Ų | 49 | 41.9 Ų | 41.9 | 22% | 0.215 | 22% | 0.216 | C | C | . | . | S | Bend | trans | 60.3 | 35.1 | 178.5 | -47.1 | -71.2 | 0 | 0 | 0 | 115 | K76 E77 V80 E121 S122 | K76-F118 HydrophobicContact CB-CE2 4.44Å; E77-F118 HydrophobicContact CB-CE1 4.02Å; E77-F118 HydrophobicContact CB-CZ 3.71Å; E77-F118 HydrophobicContact CG-CE1 3.97Å; E77-F118 HydrophobicContact CG-CZ 4.09Å; V80-F118 HydrophobicContact CG1-CB 4.44Å; V80-F118 HydrophobicContact CG1-CD1 4.47Å; V80-F118 HydrophobicContact CG2-CB 4.13Å; V80-F118 HydrophobicContact CG2-CD2 4.47Å; V80-F118 HydrophobicContact CG2-CG 4.12Å; F118-E121 WeakPolarHBondContact CA-OE2 3.38Å; F118-E121 HydrophobicContact CB-CB 4.45Å; F118-S122 WeakPolarHBondContact O-CB 3.35Å; F118-S122 PolarHBondContact O-N 3.01Å; F118-S122 PolarHBondContact O-OG 2.88Å |
| 119 | V | 92.6 | Very high | 93 | Very high | 32 Ų | 32 | 41.8 Ų | 41.8 | 19% | 0.194 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66 | -45.2 | -177.6 | 171.7 | 0 | 0 | 0 | 0 | 112.5 | T112 L117 S122 R123 L154 | T112-V119 HydrophobicContact CG2-CB 4.49Å; T112-V119 HydrophobicContact CG2-CG2 4Å; L117-V119 VanDerWaalsContact C-N 3.34Å; L117-V119 PolarHBondContact O-N 3.27Å; V119-S122 PolarHBondContact O-N 2.92Å; V119-R123 PolarHBondContact O-N 2.93Å; V119-L154 HydrophobicContact CG1-CD1 3.69Å; V119-L154 HydrophobicContact CG1-CD2 3.64Å; V119-L154 HydrophobicContact CG1-CG 4.21Å; V119-L154 HydrophobicContact CG2-CD2 4.16Å |
| 120 | E | 91.3 | Very high | 93 | Very high | 68 Ų | 68 | 44 Ų | 44 | 32% | 0.318 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -68 | -48.7 | -175.7 | 175.4 | 54.7 | -130.4 | 0 | 0 | 110 | S122 R123 Q124 | E120-S122 VanDerWaalsContact C-N 3.31Å; E120-S122 PolarHBondContact O-N 3.13Å; E120-R123 WeakPolarHBondContact O-CA 3.39Å; E120-R123 WeakPolarHBondContact O-CB 3.48Å; E120-R123 PolarHBondContact O-N 2.8Å; E120-R123 IonicContact OE1-CZ 2.65Å; E120-R123 IonicContact OE1-NH1 2.76Å; E120-R123 IonicContact OE1-NH2 2.89Å; E120-R123 PolarHBondContact OE1-NH2 2.97Å; E120-R123 IonicContact OE2-CZ 2.68Å; E120-R123 IonicContact OE2-NH1 3.83Å; E120-R123 PolarHBondContact OE2-NH1 3.06Å; E120-R123 IonicContact OE2-NH2 3.26Å; E120-R123 PolarHBondContact OE2-NH2 3.39Å; E120-Q124 WeakPolarHBondContact O-CG 3.35Å; E120-Q124 PolarHBondContact O-N 2.88Å; E120-Q124 PolarHBondContact OE1-NE2 3.31Å |
| 121 | E | 94.6 | Very high | 92.9 | Very high | 67 Ų | 67 | 44 Ų | 44 | 31% | 0.313 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58.6 | -41.1 | 173.7 | -57.1 | 83.2 | 171.4 | 0 | 0 | 111.2 | V80 L84 F118 Q124 L125 | V80-E121 HydrophobicContact CG1-CB 3.41Å; V80-E121 VanDerWaalsContact CG1-CB 3.41Å; V80-E121 HydrophobicContact CG1-CG 3.86Å; L84-E121 HydrophobicContact CD1-CB 3.95Å; L84-E121 HydrophobicContact CD1-CG 4.08Å; F118-E121 WeakPolarHBondContact CA-OE2 3.38Å; F118-E121 HydrophobicContact CB-CB 4.45Å; E121-Q124 PolarHBondContact O-N 3.05Å; E121-L125 WeakPolarHBondContact O-CB 3.17Å; E121-L125 VanDerWaalsContact O-CG 3.28Å; E121-L125 WeakPolarHBondContact O-CG 3.35Å; E121-L125 PolarHBondContact O-N 2.9Å |
| 122 | S | 94.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.7 | -36.1 | 174.3 | -64.1 | 0 | 0 | 0 | 0 | 112.6 | T112 F118 V119 E120 L126 | T112-S122 WeakPolarHBondContact CG2-OG 3.47Å; T112-S122 PolarHBondContact OG1-OG 3.37Å; F118-S122 WeakPolarHBondContact O-CB 3.35Å; F118-S122 PolarHBondContact O-N 3.01Å; F118-S122 PolarHBondContact O-OG 2.88Å; V119-S122 PolarHBondContact O-N 2.92Å; E120-S122 VanDerWaalsContact C-N 3.31Å; E120-S122 PolarHBondContact O-N 3.13Å; S122-L126 WeakPolarHBondContact O-CB 3.38Å; S122-L126 WeakPolarHBondContact O-CG 3.25Å; S122-L126 PolarHBondContact O-N 3.46Å |
| 123 | R | 93 | Very high | 92.7 | Very high | 92 Ų | 92 | 46.9 Ų | 46.9 | 35% | 0.347 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.5 | -39 | 172.9 | -167.1 | 178.1 | 75.1 | -101.4 | -2.4 | 111.2 | V119 E120 S127 | V119-R123 PolarHBondContact O-N 2.93Å; E120-R123 WeakPolarHBondContact O-CA 3.39Å; E120-R123 WeakPolarHBondContact O-CB 3.48Å; E120-R123 PolarHBondContact O-N 2.8Å; E120-R123 IonicContact OE1-CZ 2.65Å; E120-R123 IonicContact OE1-NH1 2.76Å; E120-R123 IonicContact OE1-NH2 2.89Å; E120-R123 PolarHBondContact OE1-NH2 2.97Å; E120-R123 IonicContact OE2-CZ 2.68Å; E120-R123 IonicContact OE2-NH1 3.83Å; E120-R123 PolarHBondContact OE2-NH1 3.06Å; E120-R123 IonicContact OE2-NH2 3.26Å; E120-R123 PolarHBondContact OE2-NH2 3.39Å; R123-S127 VanDerWaalsContact O-CB 3.29Å; R123-S127 WeakPolarHBondContact O-CB 3.49Å; R123-S127 PolarHBondContact O-N 3.35Å; R123-S127 PolarHBondContact O-OG 3Å |
| 124 | Q | 95.2 | Very high | 92.7 | Very high | 33 Ų | 33 | 46.5 Ų | 46.5 | 15% | 0.154 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67 | -44.4 | 175.2 | -66.8 | 174.2 | 28.3 | 0 | 0 | 111.7 | N18 C20 L84 E120 E121 L126 S127 Y128 | N18-Q124 PolarHBondContact ND2-NE2 3.07Å; C20-Q124 HydrophobicContact CB-CB 3.93Å; C20-Q124 HydrophobicContact CB-CG 3.86Å; C20-Q124 PolarHBondContact SG-O 2.88Å; C20-Q124 VanDerWaalsContact SG-O 3.39Å; L84-Q124 HydrophobicContact CD2-CB 3.74Å; E120-Q124 WeakPolarHBondContact O-CG 3.35Å; E120-Q124 PolarHBondContact O-N 2.88Å; E120-Q124 PolarHBondContact OE1-NE2 3.31Å; E121-Q124 PolarHBondContact O-N 3.05Å; Q124-L126 PolarHBondContact O-N 3.15Å; Q124-S127 WeakPolarHBondContact O-CB 3.16Å; Q124-S127 PolarHBondContact O-N 2.82Å; Q124-S127 VanDerWaalsContact O-N 3.15Å; Q124-Y128 WeakPolarHBondContact O-CD2 3.47Å; Q124-Y128 PolarHBondContact O-N 2.93Å |
| 125 | L | 95.5 | Very high | 92.6 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.9 | -44.8 | 173.9 | -74.9 | 174.7 | 0 | 0 | 0 | 112.6 | L83 L84 L87 L105 V108 E121 A129 | L83-L125 HydrophobicContact CB-CD1 4.17Å; L83-L125 HydrophobicContact CB-CD2 3.54Å; L83-L125 HydrophobicContact CD1-CD1 4.25Å; L84-L125 HydrophobicContact CB-CD2 4.45Å; L84-L125 HydrophobicContact CD2-CD2 3.79Å; L84-L125 HydrophobicContact CD2-CG 3.78Å; L84-L125 HydrophobicContact CG-CD2 3.89Å; L84-L125 HydrophobicContact CG-CG 4.03Å; L87-L125 HydrophobicContact CD2-CD2 4.17Å; L105-L125 HydrophobicContact CD2-CB 3.83Å; L105-L125 HydrophobicContact CD2-CD1 4.22Å; L105-L125 HydrophobicContact CD2-CD2 4.23Å; L105-L125 HydrophobicContact CD2-CG 4.33Å; V108-L125 HydrophobicContact CG1-CD1 4.23Å; E121-L125 WeakPolarHBondContact O-CB 3.17Å; E121-L125 VanDerWaalsContact O-CG 3.28Å; E121-L125 WeakPolarHBondContact O-CG 3.35Å; E121-L125 PolarHBondContact O-N 2.9Å; L125-A129 VanDerWaalsContact O-CB 3.27Å; L125-A129 WeakPolarHBondContact O-CB 3.42Å; L125-A129 PolarHBondContact O-N 3.18Å |
| 126 | L | 94.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63 | -42.2 | 173.2 | -77.2 | 166 | 0 | 0 | 0 | 111.7 | L109 S122 Q124 A129 L130 L143 W146 L147 L150 | L109-L126 HydrophobicContact CD1-CD2 3.85Å; L109-L126 HydrophobicContact CD1-CG 4.31Å; L109-L126 HydrophobicContact CD2-CD1 3.72Å; L109-L126 HydrophobicContact CD2-CD2 4.28Å; L109-L126 HydrophobicContact CD2-CG 3.9Å; S122-L126 WeakPolarHBondContact O-CB 3.38Å; S122-L126 WeakPolarHBondContact O-CG 3.25Å; S122-L126 PolarHBondContact O-N 3.46Å; Q124-L126 PolarHBondContact O-N 3.15Å; L126-A129 PolarHBondContact O-N 3.14Å; L126-L130 VanDerWaalsContact O-CB 3.31Å; L126-L130 WeakPolarHBondContact O-CB 3.46Å; L126-L130 WeakPolarHBondContact O-CG 3.36Å; L126-L130 PolarHBondContact O-N 2.81Å; L126-L143 HydrophobicContact CD2-CB 4.25Å; L126-L143 HydrophobicContact CD2-CD2 3.94Å; L126-W146 HydrophobicContact CD2-CB 4.24Å; L126-L147 HydrophobicContact CB-CD1 4.33Å; L126-L147 HydrophobicContact CD1-CB 3.97Å; L126-L147 HydrophobicContact CD1-CG 4.35Å; L126-L150 HydrophobicContact CD1-CD2 3.93Å |
| 127 | S | 93.1 | Very high | 92.5 | Very high | 35 Ų | 35 | 42 Ų | 42 | 25% | 0.245 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.3 | -49 | 179.5 | -62.5 | 0 | 0 | 0 | 0 | 111.4 | R123 Q124 L130 I131 | R123-S127 VanDerWaalsContact O-CB 3.29Å; R123-S127 WeakPolarHBondContact O-CB 3.49Å; R123-S127 PolarHBondContact O-N 3.35Å; R123-S127 PolarHBondContact O-OG 3Å; Q124-S127 WeakPolarHBondContact O-CB 3.16Å; Q124-S127 PolarHBondContact O-N 2.82Å; Q124-S127 VanDerWaalsContact O-N 3.15Å; S127-L130 PolarHBondContact O-N 3.4Å; S127-I131 WeakPolarHBondContact O-CG1 3.28Å; S127-I131 PolarHBondContact O-N 3.12Å |
| 128 | Y | 95.6 | Very high | 92.4 | Very high | 18 Ų | 18 | 42.7 Ų | 42.7 | 7% | 0.071 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.7 | -54.9 | 171.1 | -76.6 | -48.9 | 0 | 0 | 0 | 111 | C20 T23 L84 P88 Q124 L130 I131 H132 | C20-Y128 WeakPolarHBondContact CA-OH 3.38Å; C20-Y128 HydrophobicContact CB-CD2 4.38Å; C20-Y128 HydrophobicContact CB-CE1 4.13Å; C20-Y128 HydrophobicContact CB-CE2 3.78Å; C20-Y128 PolarHBondContact N-OH 2.81Å; T23-Y128 HydrophobicContact CG2-CE1 4.06Å; L84-Y128 HydrophobicContact CD2-CD2 4.39Å; L84-Y128 HydrophobicContact CD2-CE2 4.29Å; P88-Y128 HydrophobicContact CG-CD1 4.05Å; P88-Y128 HydrophobicContact CG-CD2 4.11Å; P88-Y128 HydrophobicContact CG-CE1 3.92Å; P88-Y128 HydrophobicContact CG-CE2 3.95Å; P88-Y128 HydrophobicContact CG-CG 4.15Å; Q124-Y128 WeakPolarHBondContact O-CD2 3.47Å; Q124-Y128 PolarHBondContact O-N 2.93Å; Y128-L130 VanDerWaalsContact C-N 3.28Å; Y128-L130 PolarHBondContact O-N 2.91Å; Y128-I131 HydrophobicContact CD1-CD1 4.46Å; Y128-I131 VanDerWaalsContact O-CG1 3.29Å; Y128-I131 WeakPolarHBondContact O-CG1 3.42Å; Y128-I131 PolarHBondContact O-N 3.43Å; Y128-H132 WeakPolarHBondContact O-CB 3.47Å; Y128-H132 PolarHBondContact O-N 3.05Å |
| 129 | A | 94 | Very high | 92.3 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.8 | -37.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L87 L105 L125 L126 T135 L143 | L87-A129 HydrophobicContact CD2-CB 4.19Å; L105-A129 HydrophobicContact CD1-CB 4.13Å; L125-A129 VanDerWaalsContact O-CB 3.27Å; L125-A129 WeakPolarHBondContact O-CB 3.42Å; L125-A129 PolarHBondContact O-N 3.18Å; L126-A129 PolarHBondContact O-N 3.14Å; A129-T135 WeakPolarHBondContact O-CB 3.48Å; A129-T135 WeakPolarHBondContact O-CG2 3.27Å; A129-T135 PolarHBondContact O-OG1 2.77Å; A129-L143 HydrophobicContact CB-CD1 3.69Å; A129-L143 HydrophobicContact CB-CD2 4.2Å |
| 130 | L | 92.7 | Very high | 92.2 | Very high | 50 Ų | 50 | 43.6 Ų | 43.6 | 26% | 0.262 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -73.4 | -33.7 | 179.7 | -73.4 | 169 | 0 | 0 | 0 | 113.5 | L126 S127 Y128 R140 L143 L147 | L126-L130 VanDerWaalsContact O-CB 3.31Å; L126-L130 WeakPolarHBondContact O-CB 3.46Å; L126-L130 WeakPolarHBondContact O-CG 3.36Å; L126-L130 PolarHBondContact O-N 2.81Å; S127-L130 PolarHBondContact O-N 3.4Å; Y128-L130 VanDerWaalsContact C-N 3.28Å; Y128-L130 PolarHBondContact O-N 2.91Å; L130-R140 HydrophobicContact CD2-CB 4.13Å; L130-R140 HydrophobicContact CD2-CG 4.27Å; L130-R140 PolarHBondContact O-NE 3.02Å; L130-L143 HydrophobicContact CD2-CB 3.79Å; L130-L143 HydrophobicContact CG-CB 4.27Å; L130-L147 HydrophobicContact CD1-CD1 3.78Å |
| 131 | I | 91.8 | Very high | 92.1 | Very high | 51 Ų | 51 | 44.5 Ų | 44.5 | 26% | 0.262 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -83.9 | -22.7 | 175.5 | 69 | 176.5 | 0 | 0 | 0 | 113.4 | T23 V24 L27 S127 Y128 | T23-I131 HydrophobicContact CG2-CD1 4.34Å; V24-I131 HydrophobicContact CG2-CD1 3.91Å; L27-I131 HydrophobicContact CD2-CB 3.8Å; L27-I131 HydrophobicContact CD2-CD1 3.86Å; L27-I131 HydrophobicContact CD2-CG1 4.16Å; L27-I131 HydrophobicContact CD2-CG2 4.41Å; S127-I131 WeakPolarHBondContact O-CG1 3.28Å; S127-I131 PolarHBondContact O-N 3.12Å; Y128-I131 HydrophobicContact CD1-CD1 4.46Å; Y128-I131 VanDerWaalsContact O-CG1 3.29Å; Y128-I131 WeakPolarHBondContact O-CG1 3.42Å; Y128-I131 PolarHBondContact O-N 3.43Å |
| 132 | H | 92.3 | Very high | 92 | Very high | 17 Ų | 17 | 43.4 Ų | 43.4 | 8% | 0.079 | 23% | 0.234 | C | C | . | . | trans | -65.3 | 139.8 | -168.4 | -167.5 | -114.2 | 0 | 0 | 0 | 113.1 | L90 Y128 A134 T135 R140 | L90-H132 PolarHBondContact O-CE1 2.96Å; L90-H132 PolarHBondContact O-NE2 2.98Å; L90-H132 VanDerWaalsContact O-NE2 3.11Å; Y128-H132 WeakPolarHBondContact O-CB 3.47Å; Y128-H132 PolarHBondContact O-N 3.05Å; H132-A134 VanDerWaalsContact C-N 3.35Å; H132-A134 WeakPolarHBondContact CE1-CB 3.21Å; H132-A134 VanDerWaalsContact ND1-CB 3.31Å; H132-A134 WeakPolarHBondContact ND1-CB 3.28Å; H132-A134 PolarHBondContact ND1-N 2.95Å; H132-A134 PolarHBondContact O-N 3.39Å; H132-T135 PolarHBondContact O-N 3.38Å; H132-T135 PolarHBondContact O-OG1 3.19Å; H132-R140 PolarHBondContact O-NH2 3.24Å | ||
| 133 | P | 91.6 | Very high | 91.8 | Very high | 88 Ų | 88 | 43.8 Ų | 43.8 | 57% | 0.571 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -24.9 | -176.6 | -15.7 | 30.2 | 0 | 0 | 0 | 114.1 | P92 T135 | P92-P133 HydrophobicContact CB-CB 4.08Å; P92-P133 HydrophobicContact CG-CB 3.79Å; P92-P133 HydrophobicContact CG-CG 4.22Å; P133-T135 VanDerWaalsContact C-N 3.29Å; P133-T135 PolarHBondContact O-N 2.79Å |
| 134 | A | 90.2 | Very high | 91.7 | Very high | 10 Ų | 10 | 41.1 Ų | 41.1 | 8% | 0.083 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -20.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | L90 K98 H132 T136 | L90-A134 HydrophobicContact CD2-CB 3.93Å; L90-A134 HydrophobicContact CG-CB 4.11Å; K98-A134 VanDerWaalsContact CD-O 3.32Å; K98-A134 WeakPolarHBondContact CD-O 3.36Å; K98-A134 HydrophobicContact CG-CB 4.43Å; H132-A134 VanDerWaalsContact C-N 3.35Å; H132-A134 WeakPolarHBondContact CE1-CB 3.21Å; H132-A134 VanDerWaalsContact ND1-CB 3.31Å; H132-A134 WeakPolarHBondContact ND1-CB 3.28Å; H132-A134 PolarHBondContact ND1-N 2.95Å; H132-A134 PolarHBondContact O-N 3.39Å; A134-T136 PolarHBondContact O-N 3.28Å |
| 135 | T | 89.8 | Confident | 91.3 | Very high | 4 Ų | 4 | 43 Ų | 43 | 3% | 0.025 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -79 | 124.3 | 179.5 | 56.9 | 0 | 0 | 0 | 0 | 110.2 | M102 A129 H132 P133 R140 L143 | M102-T135 HydrophobicContact CE-CG2 3.99Å; A129-T135 WeakPolarHBondContact O-CB 3.48Å; A129-T135 WeakPolarHBondContact O-CG2 3.27Å; A129-T135 PolarHBondContact O-OG1 2.77Å; H132-T135 PolarHBondContact O-N 3.38Å; H132-T135 PolarHBondContact O-OG1 3.19Å; P133-T135 VanDerWaalsContact C-N 3.29Å; P133-T135 PolarHBondContact O-N 2.79Å; T135-R140 PolarHBondContact O-NE 3.32Å; T135-R140 VanDerWaalsContact O-NE 3.12Å; T135-R140 PolarHBondContact O-NH2 3.35Å; T135-R140 PolarHBondContact OG1-NE 3Å; T135-L143 HydrophobicContact CG2-CD1 4.26Å |
| 136 | T | 89.3 | Confident | 91.1 | Very high | 71 Ų | 71 | 45.6 Ų | 45.6 | 44% | 0.436 | 26% | 0.26 | S | S | . | . | trans | -73 | 167.8 | 175.5 | 72.1 | 0 | 0 | 0 | 0 | 110.2 | A134 D138 D139 R140 | A134-T136 PolarHBondContact O-N 3.28Å; T136-D138 PolarHBondContact O-N 2.7Å; T136-D138 PolarHBondContact OG1-N 2.85Å; T136-D139 WeakPolarHBondContact CA-OD2 3.35Å; T136-D139 VanDerWaalsContact CB-OD2 3.27Å; T136-D139 WeakPolarHBondContact CB-OD2 3.46Å; T136-D139 WeakPolarHBondContact CG2-OD2 3.47Å; T136-D139 PolarHBondContact N-OD2 3.09Å; T136-D139 PolarHBondContact O-N 2.9Å; T136-D139 VanDerWaalsContact OG1-CG 3.26Å; T136-D139 PolarHBondContact OG1-N 3.23Å; T136-D139 PolarHBondContact OG1-OD2 3.17Å; T136-R140 WeakPolarHBondContact O-CG 3.37Å; T136-R140 PolarHBondContact O-N 3.45Å | ||
| 137 | L | 87.1 | Confident | 90.9 | Very high | 99 Ų | 99 | 47.3 Ų | 47.3 | 52% | 0.518 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.2 | -29.5 | 177.2 | -162.5 | 73.7 | 0 | 0 | 0 | 112.4 | R140 T141 | L137-R140 PolarHBondContact O-N 2.83Å; L137-T141 PolarHBondContact O-N 3.01Å; L137-T141 PolarHBondContact O-OG1 3.42Å; L137-T141 VanDerWaalsContact O-OG1 3.1Å |
| 138 | D | 89.3 | Confident | 90.6 | Very high | 109 Ų | 109 | 50.3 Ų | 50.3 | 58% | 0.583 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -70 | -48.2 | 179.3 | -153.7 | 80 | 0 | 0 | 0 | 111 | T136 R140 T141 S142 | T136-D138 PolarHBondContact O-N 2.7Å; T136-D138 PolarHBondContact OG1-N 2.85Å; D138-R140 VanDerWaalsContact C-N 3.26Å; D138-R140 PolarHBondContact O-N 2.95Å; D138-T141 WeakPolarHBondContact CA-OG1 3.17Å; D138-T141 PolarHBondContact O-N 3.24Å; D138-T141 VanDerWaalsContact O-N 3.17Å; D138-T141 PolarHBondContact O-OG1 2.73Å; D138-S142 PolarHBondContact O-N 3.47Å; D138-S142 VanDerWaalsContact O-N 3.09Å |
| 139 | D | 90.6 | Very high | 90.2 | Very high | 25 Ų | 25 | 54 Ų | 54 | 13% | 0.134 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -53.6 | -46.6 | 170.6 | -53.6 | -63.2 | 0 | 0 | 0 | 110.1 | K98 M102 T136 T141 S142 L143 | K98-D139 IonicContact NZ-OD1 2.78Å; K98-D139 PolarHBondContact NZ-OD1 3.3Å; K98-D139 IonicContact NZ-OD2 2.68Å; K98-D139 PolarHBondContact NZ-OD2 3.05Å; M102-D139 HydrophobicContact SD-CB 4.27Å; T136-D139 WeakPolarHBondContact CA-OD2 3.35Å; T136-D139 VanDerWaalsContact CB-OD2 3.27Å; T136-D139 WeakPolarHBondContact CB-OD2 3.46Å; T136-D139 WeakPolarHBondContact CG2-OD2 3.47Å; T136-D139 PolarHBondContact N-OD2 3.09Å; T136-D139 PolarHBondContact O-N 2.9Å; T136-D139 VanDerWaalsContact OG1-CG 3.26Å; T136-D139 PolarHBondContact OG1-N 3.23Å; T136-D139 PolarHBondContact OG1-OD2 3.17Å; D139-T141 PolarHBondContact O-N 3.48Å; D139-S142 WeakPolarHBondContact O-CB 3.31Å; D139-S142 PolarHBondContact O-N 3.28Å; D139-L143 HydrophobicContact CB-CD1 4.43Å; D139-L143 WeakPolarHBondContact O-CB 3.43Å; D139-L143 WeakPolarHBondContact O-CD1 3.5Å; D139-L143 VanDerWaalsContact O-CG 3.23Å; D139-L143 WeakPolarHBondContact O-CG 3.22Å; D139-L143 PolarHBondContact O-N 3.41Å |
| 140 | R | 90.1 | Very high | 89.9 | Confident | 76 Ų | 76 | 54.4 Ų | 54.4 | 29% | 0.287 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.4 | -34.6 | -179.4 | -68.8 | -180 | -163.3 | 164.6 | 10 | 113.4 | L130 H132 T135 T136 L137 D138 A144 | L130-R140 HydrophobicContact CD2-CB 4.13Å; L130-R140 HydrophobicContact CD2-CG 4.27Å; L130-R140 PolarHBondContact O-NE 3.02Å; H132-R140 PolarHBondContact O-NH2 3.24Å; T135-R140 PolarHBondContact O-NE 3.32Å; T135-R140 VanDerWaalsContact O-NE 3.12Å; T135-R140 PolarHBondContact O-NH2 3.35Å; T135-R140 PolarHBondContact OG1-NE 3Å; T136-R140 WeakPolarHBondContact O-CG 3.37Å; T136-R140 PolarHBondContact O-N 3.45Å; L137-R140 PolarHBondContact O-N 2.83Å; D138-R140 VanDerWaalsContact C-N 3.26Å; D138-R140 PolarHBondContact O-N 2.95Å; R140-A144 VanDerWaalsContact O-CB 3.22Å; R140-A144 WeakPolarHBondContact O-CB 3.35Å; R140-A144 PolarHBondContact O-N 3.03Å |
| 141 | T | 90.3 | Very high | 89.7 | Confident | 87 Ų | 87 | 56.8 Ų | 56.8 | 53% | 0.534 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.9 | -36.7 | 172.4 | 37.4 | 0 | 0 | 0 | 0 | 112.4 | L137 D138 D139 S145 | L137-T141 PolarHBondContact O-N 3.01Å; L137-T141 PolarHBondContact O-OG1 3.42Å; L137-T141 VanDerWaalsContact O-OG1 3.1Å; D138-T141 WeakPolarHBondContact CA-OG1 3.17Å; D138-T141 PolarHBondContact O-N 3.24Å; D138-T141 VanDerWaalsContact O-N 3.17Å; D138-T141 PolarHBondContact O-OG1 2.73Å; D139-T141 PolarHBondContact O-N 3.48Å; T141-S145 PolarHBondContact O-N 3.18Å |
| 142 | S | 91.6 | Very high | 89.4 | Confident | 44 Ų | 44 | 60.9 Ų | 60.9 | 31% | 0.308 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67 | -51.7 | 173.4 | -178.1 | 0 | 0 | 0 | 0 | 111.4 | D138 D139 A144 S145 W146 | D138-S142 PolarHBondContact O-N 3.47Å; D138-S142 VanDerWaalsContact O-N 3.09Å; D139-S142 WeakPolarHBondContact O-CB 3.31Å; D139-S142 PolarHBondContact O-N 3.28Å; S142-A144 VanDerWaalsContact C-N 3.26Å; S142-A144 PolarHBondContact O-N 2.95Å; S142-S145 PolarHBondContact O-N 2.72Å; S142-S145 PolarHBondContact O-OG 3.48Å; S142-W146 VanDerWaalsContact O-CD1 3.3Å; S142-W146 PolarHBondContact O-N 2.8Å |
| 143 | L | 91.6 | Very high | 89 | Confident | 7 Ų | 7 | 63.2 Ų | 63.2 | 4% | 0.037 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.3 | -36.4 | 177.5 | -68.2 | 162.5 | 0 | 0 | 0 | 112.2 | M102 L105 L126 A129 L130 T135 D139 W146 L147 | M102-L143 HydrophobicContact SD-CD1 4.32Å; L105-L143 HydrophobicContact CD1-CD2 4.46Å; L126-L143 HydrophobicContact CD2-CB 4.25Å; L126-L143 HydrophobicContact CD2-CD2 3.94Å; A129-L143 HydrophobicContact CB-CD1 3.69Å; A129-L143 HydrophobicContact CB-CD2 4.2Å; L130-L143 HydrophobicContact CD2-CB 3.79Å; L130-L143 HydrophobicContact CG-CB 4.27Å; T135-L143 HydrophobicContact CG2-CD1 4.26Å; D139-L143 HydrophobicContact CB-CD1 4.43Å; D139-L143 WeakPolarHBondContact O-CB 3.43Å; D139-L143 WeakPolarHBondContact O-CD1 3.5Å; D139-L143 VanDerWaalsContact O-CG 3.23Å; D139-L143 WeakPolarHBondContact O-CG 3.22Å; D139-L143 PolarHBondContact O-N 3.41Å; L143-W146 PolarHBondContact O-N 2.95Å; L143-L147 PolarHBondContact O-N 3.24Å |
| 144 | A | 89.1 | Confident | 88.4 | Confident | 37 Ų | 37 | 62.7 Ų | 62.7 | 31% | 0.306 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R140 S142 L147 N148 | R140-A144 VanDerWaalsContact O-CB 3.22Å; R140-A144 WeakPolarHBondContact O-CB 3.35Å; R140-A144 PolarHBondContact O-N 3.03Å; S142-A144 VanDerWaalsContact C-N 3.26Å; S142-A144 PolarHBondContact O-N 2.95Å; A144-L147 PolarHBondContact O-N 2.96Å; A144-N148 PolarHBondContact O-N 3.44Å; A144-N148 PolarHBondContact O-ND2 3.39Å |
| 145 | S | 88.7 | Confident | 87.7 | Confident | 71 Ų | 71 | 66.3 Ų | 66.3 | 50% | 0.497 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66 | -36.2 | 173.3 | 56.7 | 0 | 0 | 0 | 0 | 113.1 | T141 S142 N148 H149 | T141-S145 PolarHBondContact O-N 3.18Å; S142-S145 PolarHBondContact O-N 2.72Å; S142-S145 PolarHBondContact O-OG 3.48Å; S145-N148 PolarHBondContact O-N 3.21Å; S145-H149 WeakPolarHBondContact O-CB 3.29Å; S145-H149 PolarHBondContact O-N 3.5Å |
| 146 | W | 90.6 | Very high | 86.7 | Confident | 57 Ų | 57 | 69.2 Ų | 69.2 | 22% | 0.216 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.6 | -40 | 172.2 | -78.7 | 103.5 | 0 | 0 | 0 | 112.6 | Q106 L109 T110 I113 L126 S142 L143 H149 L150 | Q106-W146 HydrophobicContact CG-CZ2 4.41Å; L109-W146 HydrophobicContact CB-CD2 4.22Å; L109-W146 HydrophobicContact CB-CE3 3.72Å; L109-W146 HydrophobicContact CB-CZ3 4.06Å; L109-W146 HydrophobicContact CD1-CB 4.04Å; L109-W146 HydrophobicContact CD1-CD2 4.3Å; L109-W146 HydrophobicContact CD1-CG 4.08Å; T110-W146 VanDerWaalsContact OG1-CH2 3.28Å; T110-W146 WeakPolarHBondContact OG1-CH2 3.45Å; I113-W146 HydrophobicContact CD1-CE3 3.84Å; I113-W146 HydrophobicContact CD1-CZ3 3.77Å; L126-W146 HydrophobicContact CD2-CB 4.24Å; S142-W146 VanDerWaalsContact O-CD1 3.3Å; S142-W146 PolarHBondContact O-N 2.8Å; L143-W146 PolarHBondContact O-N 2.95Å; W146-H149 PolarHBondContact O-N 3.36Å; W146-L150 WeakPolarHBondContact O-CB 3.37Å; W146-L150 PolarHBondContact O-N 2.87Å |
| 147 | L | 89.1 | Confident | 85.1 | Confident | 37 Ų | 37 | 68.7 Ų | 68.7 | 19% | 0.194 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.3 | -47.5 | 176.2 | -173.6 | 150.6 | 0 | 0 | 0 | 111.6 | L126 L130 L143 A144 H149 L150 E151 | L126-L147 HydrophobicContact CB-CD1 4.33Å; L126-L147 HydrophobicContact CD1-CB 3.97Å; L126-L147 HydrophobicContact CD1-CG 4.35Å; L130-L147 HydrophobicContact CD1-CD1 3.78Å; L143-L147 PolarHBondContact O-N 3.24Å; A144-L147 PolarHBondContact O-N 2.96Å; L147-H149 VanDerWaalsContact C-N 3.3Å; L147-H149 PolarHBondContact O-N 3Å; L147-L150 PolarHBondContact O-N 2.87Å; L147-E151 HydrophobicContact CD2-CG 4.29Å; L147-E151 WeakPolarHBondContact CD2-OE1 3.41Å; L147-E151 WeakPolarHBondContact O-CG 3.44Å; L147-E151 PolarHBondContact O-N 3.48Å |
| 148 | N | 87.3 | Confident | 83.4 | Confident | 99 Ų | 99 | 74.6 Ų | 74.6 | 53% | 0.529 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.4 | -40.9 | 175 | -73.5 | -83.5 | 0 | 0 | 0 | 111.7 | A144 S145 E151 E152 | A144-N148 PolarHBondContact O-N 3.44Å; A144-N148 PolarHBondContact O-ND2 3.39Å; S145-N148 PolarHBondContact O-N 3.21Å; N148-E151 PolarHBondContact O-N 3.33Å; N148-E152 WeakPolarHBondContact O-CB 3.5Å; N148-E152 PolarHBondContact O-N 3.4Å |
| 149 | H | 87.8 | Confident | 81.3 | Confident | 96 Ų | 96 | 73.1 Ų | 73.1 | 44% | 0.444 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.1 | -38.1 | 178.1 | -164 | 111.3 | 0 | 0 | 0 | 112.2 | I113 S145 W146 L147 E152 H153 | I113-H149 VanDerWaalsContact CD1-CD2 3.48Å; I113-H149 WeakPolarHBondContact CD1-CD2 3.33Å; S145-H149 WeakPolarHBondContact O-CB 3.29Å; S145-H149 PolarHBondContact O-N 3.5Å; W146-H149 PolarHBondContact O-N 3.36Å; L147-H149 VanDerWaalsContact C-N 3.3Å; L147-H149 PolarHBondContact O-N 3Å; H149-E152 PolarHBondContact O-N 3.28Å; H149-H153 WeakPolarHBondContact O-CB 3.28Å; H149-H153 PolarHBondContact O-N 3Å |
| 150 | L | 87.7 | Confident | 79.1 | Confident | 8 Ų | 8 | 76.5 Ų | 76.5 | 4% | 0.042 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -64.4 | -44.5 | 174.6 | -174.7 | 64.8 | 0 | 0 | 0 | 111.1 | T112 I113 L126 W146 L147 H153 L154 | T112-L150 HydrophobicContact CG2-CD1 3.69Å; I113-L150 HydrophobicContact CG1-CD1 4.22Å; L126-L150 HydrophobicContact CD1-CD2 3.93Å; W146-L150 WeakPolarHBondContact O-CB 3.37Å; W146-L150 PolarHBondContact O-N 2.87Å; L147-L150 PolarHBondContact O-N 2.87Å; L150-H153 PolarHBondContact O-N 3.08Å; L150-L154 HydrophobicContact CG-CD1 4.4Å; L150-L154 VanDerWaalsContact O-CG 3.24Å; L150-L154 WeakPolarHBondContact O-CG 3.49Å; L150-L154 PolarHBondContact O-N 2.88Å |
| 151 | E | 86.9 | Confident | 76.8 | Confident | 99 Ų | 99 | 84.5 Ų | 84.5 | 46% | 0.463 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.5 | -39 | 175.9 | -70.2 | -179.4 | 166.8 | 0 | 0 | 112.8 | L147 N148 S155 | L147-E151 HydrophobicContact CD2-CG 4.29Å; L147-E151 WeakPolarHBondContact CD2-OE1 3.41Å; L147-E151 WeakPolarHBondContact O-CG 3.44Å; L147-E151 PolarHBondContact O-N 3.48Å; N148-E151 PolarHBondContact O-N 3.33Å; E151-S155 WeakPolarHBondContact O-CB 3.25Å; E151-S155 PolarHBondContact O-N 2.71Å; E151-S155 PolarHBondContact O-OG 3.3Å |
| 152 | E | 87.1 | Confident | 74.3 | Confident | 137 Ų | 137 | 84.8 Ų | 84.8 | 64% | 0.64 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -65.4 | -42.7 | 174.4 | -176.1 | 171.3 | -160.8 | 0 | 0 | 111.4 | N148 H149 L154 S155 S156 | N148-E152 WeakPolarHBondContact O-CB 3.5Å; N148-E152 PolarHBondContact O-N 3.4Å; H149-E152 PolarHBondContact O-N 3.28Å; E152-L154 PolarHBondContact O-N 3.33Å; E152-S155 PolarHBondContact O-N 3.09Å; E152-S156 WeakPolarHBondContact O-CB 3.3Å; E152-S156 PolarHBondContact O-N 3.45Å |
| 153 | H | 82.3 | Confident | 71.9 | Confident | 67 Ų | 67 | 88.2 Ų | 88.2 | 31% | 0.31 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.4 | -44 | 177 | -166.7 | -105.4 | 0 | 0 | 0 | 111.9 | I113 H149 L150 S155 S156 G157 | I113-H153 PolarHBondContact O-CE1 3.07Å; I113-H153 PolarHBondContact O-NE2 2.91Å; H149-H153 WeakPolarHBondContact O-CB 3.28Å; H149-H153 PolarHBondContact O-N 3Å; L150-H153 PolarHBondContact O-N 3.08Å; H153-S155 VanDerWaalsContact C-N 3.34Å; H153-S155 PolarHBondContact O-N 3.04Å; H153-S156 PolarHBondContact O-N 2.89Å; H153-G157 PolarHBondContact O-N 3.48Å |
| 154 | L | 78.9 | Confident | 69.4 | Low | 76 Ų | 76 | 94 Ų | 94 | 40% | 0.398 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.7 | -39.9 | 174.7 | -67.7 | 167.5 | 0 | 0 | 0 | 112.2 | V119 L150 E152 Y158 | V119-L154 HydrophobicContact CG1-CD1 3.69Å; V119-L154 HydrophobicContact CG1-CD2 3.64Å; V119-L154 HydrophobicContact CG1-CG 4.21Å; V119-L154 HydrophobicContact CG2-CD2 4.16Å; L150-L154 HydrophobicContact CG-CD1 4.4Å; L150-L154 VanDerWaalsContact O-CG 3.24Å; L150-L154 WeakPolarHBondContact O-CG 3.49Å; L150-L154 PolarHBondContact O-N 2.88Å; E152-L154 PolarHBondContact O-N 3.33Å; L154-Y158 WeakPolarHBondContact O-CD2 3.23Å |
| 155 | S | 77.3 | Confident | 66.7 | Low | 86 Ų | 86 | 97.6 Ų | 97.6 | 60% | 0.601 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.5 | -40 | 176.6 | -58.3 | 0 | 0 | 0 | 0 | 112 | E151 E152 H153 | E151-S155 WeakPolarHBondContact O-CB 3.25Å; E151-S155 PolarHBondContact O-N 2.71Å; E151-S155 PolarHBondContact O-OG 3.3Å; E152-S155 PolarHBondContact O-N 3.09Å; H153-S155 VanDerWaalsContact C-N 3.34Å; H153-S155 PolarHBondContact O-N 3.04Å |
| 156 | S | 67.5 | Low | 64.7 | Low | 65 Ų | 65 | 98.6 Ų | 98.6 | 46% | 0.455 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -70.4 | -32.2 | 179.4 | -166.4 | 0 | 0 | 0 | 0 | 112.9 | E152 H153 Y158 A159 | E152-S156 WeakPolarHBondContact O-CB 3.3Å; E152-S156 PolarHBondContact O-N 3.45Å; H153-S156 PolarHBondContact O-N 2.89Å; S156-Y158 PolarHBondContact O-N 3.11Å; S156-A159 WeakPolarHBondContact O-CB 3.4Å; S156-A159 PolarHBondContact O-N 2.99Å |
| 157 | G | 57.2 | Low | 61.9 | Low | 61 Ų | 61 | 105.8 Ų | 105.8 | 63% | 0.629 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -57 | -30.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | H153 | H153-G157 PolarHBondContact O-N 3.48Å |
| 158 | Y | 49.8 | Very low | 59.5 | Low | 222 Ų | 222 | 111.9 Ų | 111.9 | 87% | 0.871 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -13.7 | 175.5 | -76.5 | -82.7 | 0 | 0 | 0 | 114.4 | L154 S156 | L154-Y158 WeakPolarHBondContact O-CD2 3.23Å; S156-Y158 PolarHBondContact O-N 3.11Å |
| 159 | A | 46.5 | Very low | 57.2 | Low | 78 Ų | 78 | 113.2 Ų | 113.2 | 65% | 0.645 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -20.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S156 | S156-A159 WeakPolarHBondContact O-CB 3.4Å; S156-A159 PolarHBondContact O-N 2.99Å |
| 160 | S | 44 | Very low | 54.5 | Low | 97 Ų | 97 | 118.7 Ų | 118.7 | 68% | 0.678 | 65% | 0.647 | S | S | * | * | trans | -110.9 | 57.7 | -162 | -64.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 161 | R | 41.9 | Very low | 51.9 | Low | 244 Ų | 244 | 126.7 Ų | 126.7 | 92% | 0.921 | 68% | 0.684 | S | S | * | * | trans | -146.8 | 40.4 | 159.4 | -144.9 | 177.1 | -175.4 | 171.3 | 2.7 | 116.8 | ||||
| 162 | A | 37.4 | Very low | 49.1 | Very low | 92 Ų | 92 | 125.4 Ų | 125.4 | 76% | 0.76 | 70% | 0.697 | S | S | * | * | trans | -82.8 | 126.5 | 155.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 163 | P | 41 | Very low | 46.4 | Very low | 117 Ų | 117 | 123.8 Ų | 123.8 | 76% | 0.76 | 70% | 0.701 | S | S | * | * | trans | -73.1 | 143.8 | 178 | 29.8 | -34.1 | 0 | 0 | 0 | 111.4 | S165 | P163-S165 PolarHBondContact O-N 3Š| ||
| 164 | P | 39.9 | Very low | 44 | Very low | 128 Ų | 128 | 127 Ų | 127 | 83% | 0.831 | 72% | 0.721 | S | S | * | * | trans | -76.4 | 106.3 | -179 | 30.1 | -33.8 | 0 | 0 | 0 | 111.4 | ||||
| 165 | S | 31.5 | Very low | 41.7 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | trans | -80 | 132.2 | 166.4 | -171.2 | 0 | 0 | 0 | 0 | 110.3 | P163 | P163-S165 PolarHBondContact O-N 3Š| ||
| 166 | P | 48 | Very low | 39.5 | Very low | 91 Ų | 91 | 139.5 Ų | 139.5 | 59% | 0.591 | 76% | 0.757 | S | S | * | * | trans | -82.9 | 166.8 | 179.3 | 33 | -35 | 0 | 0 | 0 | 113.7 | ||||
| 167 | Y | 31.6 | Very low | 38.3 | Very low | 208 Ų | 208 | 142.4 Ų | 142.4 | 82% | 0.816 | 78% | 0.775 | S | S | * | * | trans | 94.5 | 158.5 | 163.9 | -60 | -67 | 0 | 0 | 0 | 120.9 | ||||
| 168 | H | 37.9 | Very low | 36.8 | Very low | 166 Ų | 166 | 142.5 Ų | 142.5 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -81.6 | 161.1 | -155.2 | -58.2 | -80.5 | 0 | 0 | 0 | 115.2 | R170 | H168-R170 PolarHBondContact O-N 2.99Š| ||
| 169 | P | 38.3 | Very low | 35.7 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -75.9 | 122.1 | 168.1 | 31.2 | -33.9 | 0 | 0 | 0 | 112.2 | ||||
| 170 | R | 31.4 | Very low | 34.8 | Very low | 212 Ų | 212 | 138.1 Ų | 138.1 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | -137.9 | 100.3 | 155.5 | -94.4 | -160 | 170.4 | -78.7 | 0.5 | 112 | H168 | H168-R170 PolarHBondContact O-N 2.99Š| ||
| 171 | Q | 33.3 | Very low | 33.9 | Very low | 176 Ų | 176 | 142.2 Ų | 142.2 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | 24.1 | 110.2 | 122.6 | -176.1 | -177.9 | 38.2 | 0 | 0 | 117.4 | |||||
| 172 | G | 28.5 | Very low | 33.4 | Very low | 71 Ų | 71 | 134.9 Ų | 134.9 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | trans | 135.7 | 107.8 | 147.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 173 | S | 30.7 | Very low | 33 | Very low | 103 Ų | 103 | 139.2 Ų | 139.2 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | trans | 61.6 | 131.7 | 142.1 | -101.7 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 174 | D | 31.5 | Very low | 32.5 | Very low | 136 Ų | 136 | 139.7 Ų | 139.7 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | 80 | 132.8 | 135.4 | -56.3 | -39.9 | 0 | 0 | 0 | 124 | ||||
| 175 | E | 30.5 | Very low | 32.6 | Very low | 185 Ų | 185 | 139.4 Ų | 139.4 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | 58.4 | 111.2 | 153.1 | -64.9 | -177.6 | 93.2 | 0 | 0 | 122.6 | ||||
| 176 | W | 31.2 | Very low | 32.6 | Very low | 238 Ų | 238 | 136.5 Ų | 136.5 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | trans | -71.4 | 149 | 144.1 | -70.5 | 90.6 | 0 | 0 | 0 | 109 | ||||
| 177 | P | 41.5 | Very low | 31.9 | Very low | 127 Ų | 127 | 139.9 Ų | 139.9 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | -141.2 | 176.8 | 54.2 | 39.7 | -21.6 | 0 | 0 | 0 | 115.6 | |||||
| 178 | G | 25.9 | Very low | 31.5 | Very low | 62 Ų | 62 | 134.8 Ų | 134.8 | 64% | 0.639 | 78% | 0.783 | S | S | * | * | trans | -123.2 | 155 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 179 | S | 27.3 | Very low | 31.1 | Very low | 125 Ų | 125 | 138.6 Ų | 138.6 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -174 | 160.9 | 157.9 | -84.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 180 | A | 26.4 | Very low | 32 | Very low | 83 Ų | 83 | 137.4 Ų | 137.4 | 69% | 0.686 | 78% | 0.783 | S | S | * | * | trans | 75.6 | 129.1 | 161.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 181 | E | 26.7 | Very low | 31.9 | Very low | 184 Ų | 184 | 132.6 Ų | 132.6 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | 52.7 | 114.1 | 138.5 | -62.2 | 174.2 | 114.8 | 0 | 0 | 119.4 | ||||
| 182 | A | 30.7 | Very low | 31.6 | Very low | 90 Ų | 90 | 132 Ų | 132 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | 90.6 | 123.5 | 54.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 183 | L | 30 | Very low | 31.6 | Very low | 182 Ų | 182 | 133.4 Ų | 133.4 | 95% | 0.953 | 77% | 0.766 | S | S | * | * | trans | 175.8 | 144.1 | 135.6 | -95.6 | 165.3 | 0 | 0 | 0 | 111.6 | ||||
| 184 | D | 29.3 | Very low | 32.4 | Very low | 128 Ų | 128 | 134.4 Ų | 134.4 | 68% | 0.684 | 77% | 0.77 | S | S | * | * | trans | -95.6 | 165.2 | 165.3 | -179.5 | 53.8 | 0 | 0 | 0 | 109.3 | G186 | D184-G186 PolarHBondContact OD1-N 3.03Å; D184-G186 PolarHBondContact OD2-N 3.26Å | ||
| 185 | P | 43.3 | Very low | 32.5 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | -153.5 | 110 | 111.2 | 34.9 | -14.7 | 0 | 0 | 0 | 117.6 | |||||
| 186 | G | 30.1 | Very low | 32.5 | Very low | 51 Ų | 51 | 129.5 Ų | 129.5 | 53% | 0.526 | 77% | 0.767 | S | S | . | * | trans | 56.9 | -178.1 | 139.1 | 0 | 0 | 0 | 0 | 0 | 121.3 | D184 | D184-G186 PolarHBondContact OD1-N 3.03Å; D184-G186 PolarHBondContact OD2-N 3.26Å | ||
| 187 | N | 33.3 | Very low | 32.4 | Very low | 163 Ų | 163 | 123.2 Ų | 123.2 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | cis | -166.6 | 130 | -11.1 | -118.8 | 11 | 0 | 0 | 0 | 110.6 | ||||
| 188 | A | 24 | Very low | 31.7 | Very low | 100 Ų | 100 | 123.1 Ų | 123.1 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | trans | -171 | 145.2 | 158.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 189 | W | 28.6 | Very low | 32 | Very low | 246 Ų | 246 | 125.4 Ų | 125.4 | 93% | 0.932 | 76% | 0.763 | S | S | * | * | trans | -142.1 | -179.9 | -174.5 | -89.9 | 42 | 0 | 0 | 0 | 109.5 | ||||
| 190 | P | 58.5 | Low | 33.1 | Very low | 102 Ų | 102 | 125 Ų | 125 | 66% | 0.662 | 76% | 0.758 | S | S | * | * | cis | -109.2 | -136.8 | -5.7 | 28.1 | -5.2 | 0 | 0 | 0 | 109.7 | ||||
| 191 | D | 28.1 | Very low | 33.4 | Very low | 111 Ų | 111 | 126.1 Ų | 126.1 | 59% | 0.594 | 77% | 0.767 | S | S | * | * | cis | -165.2 | 160.8 | 2.9 | -136.9 | -2.7 | 0 | 0 | 0 | 106.4 | ||||
| 192 | K | 27.5 | Very low | 33.5 | Very low | 164 Ų | 164 | 121 Ų | 121 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | cis | -153.4 | -157.4 | -1.3 | -159.8 | 149 | -128.8 | 130.8 | 0 | 109 | ||||
| 193 | S | 29.3 | Very low | 33.5 | Very low | 100 Ų | 100 | 125.8 Ų | 125.8 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | trans | -149.6 | 170.1 | 170.5 | -46.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 194 | P | 46.3 | Very low | 33.5 | Very low | 124 Ų | 124 | 124.9 Ų | 124.9 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | -151.7 | -175.3 | 82.2 | 37.2 | -16.9 | 0 | 0 | 0 | 115.4 | |||||
| 195 | S | 33.1 | Very low | 33.4 | Very low | 100 Ų | 100 | 122.2 Ų | 122.2 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | cis | -176.5 | 169.5 | -40.1 | -81.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 196 | S | 30.7 | Very low | 32.8 | Very low | 118 Ų | 118 | 126.1 Ų | 126.1 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | 76 | 140.7 | 167.2 | 76.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 197 | S | 29.8 | Very low | 33.1 | Very low | 105 Ų | 105 | 132.1 Ų | 132.1 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | cis | -169.9 | 172.4 | -12.2 | 52.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 198 | T | 27.3 | Very low | 33.9 | Very low | 125 Ų | 125 | 129.3 Ų | 129.3 | 77% | 0.767 | 78% | 0.783 | S | S | * | * | cis | -153.8 | 168.3 | 8.6 | -25.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 199 | S | 30.7 | Very low | 34.1 | Very low | 110 Ų | 110 | 133.8 Ų | 133.8 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -144 | -161.8 | 174.3 | -48 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 200 | P | 51.7 | Low | 34 | Very low | 118 Ų | 118 | 131 Ų | 131 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | cis | -143.4 | -175.4 | -9.2 | 43.9 | -25.2 | 0 | 0 | 0 | 117.1 | ||||
| 201 | A | 33.2 | Very low | 32.4 | Very low | 106 Ų | 106 | 130 Ų | 130 | 88% | 0.876 | 79% | 0.791 | S | S | * | * | trans | 58.7 | 162.9 | 148.4 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 202 | G | 28.7 | Very low | 32.3 | Very low | 75 Ų | 75 | 128 Ų | 128 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | cis | -147.2 | -156.8 | -1.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 203 | Q | 30.9 | Very low | 32.5 | Very low | 192 Ų | 192 | 128.5 Ų | 128.5 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | cis | -161 | -171 | 15 | -153.9 | 177.2 | 88.8 | 0 | 0 | 111.5 | ||||
| 204 | N | 29.8 | Very low | 32.6 | Very low | 162 Ų | 162 | 128.1 Ų | 128.1 | 87% | 0.866 | 80% | 0.803 | S | S | * | * | trans | -92 | 170.5 | -160.8 | -48.6 | -49.9 | 0 | 0 | 0 | 117.8 | ||||
| 205 | G | 27.6 | Very low | 31.8 | Very low | 72 Ų | 72 | 127.6 Ų | 127.6 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | -178 | 149.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 206 | H | 28.8 | Very low | 32.6 | Very low | 204 Ų | 204 | 128.1 Ų | 128.1 | 94% | 0.944 | 80% | 0.803 | S | S | * | * | trans | -133.9 | 167.1 | -179.9 | -94.4 | -112 | 0 | 0 | 0 | 113.3 | ||||
| 207 | M | 37.6 | Very low | 32.5 | Very low | 177 Ų | 177 | 130.4 Ų | 130.4 | 87% | 0.872 | 80% | 0.804 | S | S | * | * | trans | -66.3 | -178.4 | -178 | -63.9 | -84.4 | -139.7 | 0 | 0 | 115.4 | ||||
| 208 | P | 50.6 | Low | 32.3 | Very low | 105 Ų | 105 | 131 Ų | 131 | 68% | 0.682 | 81% | 0.808 | S | S | * | * | cis | -147.3 | -175.3 | 7.8 | 43.2 | -22.2 | 0 | 0 | 0 | 120.1 | ||||
| 209 | F | 27.3 | Very low | 32.3 | Very low | 193 Ų | 193 | 128.6 Ų | 128.6 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | 93.8 | 149.3 | 140.8 | -109.6 | -78.6 | 0 | 0 | 0 | 125.8 | ||||
| 210 | Q | 26.1 | Very low | 32.2 | Very low | 187 Ų | 187 | 130.9 Ų | 130.9 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | 70.4 | 155.4 | 169.2 | -57.4 | -171.9 | -1.7 | 0 | 0 | 117.9 | ||||
| 211 | G | 25 | Very low | 31 | Very low | 83 Ų | 83 | 128.1 Ų | 128.1 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | cis | 137.3 | 140.9 | -4.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 212 | G | 26.7 | Very low | 30.9 | Very low | 68 Ų | 68 | 129.9 Ų | 129.9 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | cis | 177 | -163.8 | -2.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 213 | L | 31.5 | Very low | 31.1 | Very low | 175 Ų | 175 | 133 Ų | 133 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | trans | 76 | 151.9 | 170.2 | -47.7 | 175.2 | 0 | 0 | 0 | 118.2 | ||||
| 214 | S | 30.3 | Very low | 31 | Very low | 92 Ų | 92 | 129.9 Ų | 129.9 | 64% | 0.643 | 79% | 0.793 | S | S | * | * | cis | -170.3 | 141.3 | -20.7 | -94.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 215 | S | 30.6 | Very low | 30.9 | Very low | 112 Ų | 112 | 125.5 Ų | 125.5 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | 66.1 | 166.4 | 139.5 | -67.3 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 216 | P | 49.6 | Very low | 31 | Very low | 112 Ų | 112 | 129.8 Ų | 129.8 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | cis | -140.8 | -176.9 | -25.3 | 34.1 | -13.4 | 0 | 0 | 0 | 116.9 | ||||
| 217 | I | 28 | Very low | 30.9 | Very low | 166 Ų | 166 | 126.9 Ų | 126.9 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | 116.2 | 167.4 | 135.2 | -126.8 | 163.4 | 0 | 0 | 0 | 119.7 | ||||
| 218 | S | 26.7 | Very low | 30.3 | Very low | 116 Ų | 116 | 122.1 Ų | 122.1 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | -126.3 | 161.8 | -136.7 | -45.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 219 | G | 26.7 | Very low | 29.2 | Very low | 76 Ų | 76 | 125.6 Ų | 125.6 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | trans | 140.2 | 144.9 | 155 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 220 | N | 28.5 | Very low | 29.2 | Very low | 158 Ų | 158 | 124 Ų | 124 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | cis | 168 | 123.2 | -40.2 | 166.3 | 78.5 | 0 | 0 | 0 | 107 | ||||
| 221 | G | 27.8 | Very low | 29.4 | Very low | 60 Ų | 60 | 122.9 Ų | 122.9 | 62% | 0.619 | 78% | 0.783 | S | S | * | * | trans | 80.8 | 160.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 222 | N | 30.9 | Very low | 30.2 | Very low | 143 Ų | 143 | 124.6 Ų | 124.6 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | cis | -174.2 | 132.7 | -19.1 | -120.9 | 6.8 | 0 | 0 | 0 | 109.1 | ||||
| 223 | N | 31.4 | Very low | 30.3 | Very low | 140 Ų | 140 | 126.3 Ų | 126.3 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | trans | 53.2 | 159.1 | 146.7 | -73.4 | -4.9 | 0 | 0 | 0 | 120.6 | ||||
| 224 | T | 29.1 | Very low | 31.4 | Very low | 127 Ų | 127 | 122.8 Ų | 122.8 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | cis | -158.9 | 140.4 | 1.8 | -0.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 225 | G | 27.5 | Very low | 31.4 | Very low | 70 Ų | 70 | 125 Ų | 125 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | trans | 41.5 | -176.5 | 147.9 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 226 | L | 29.5 | Very low | 31.4 | Very low | 161 Ų | 161 | 129.1 Ų | 129.1 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | cis | -170.1 | 141.9 | -21.1 | -111.6 | 167.3 | 0 | 0 | 0 | 109.9 | ||||
| 227 | V | 26.5 | Very low | 30.5 | Very low | 143 Ų | 143 | 133.4 Ų | 133.4 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | trans | 65.9 | 148 | 160.2 | -176.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 228 | G | 25.9 | Very low | 31.4 | Very low | 78 Ų | 78 | 131.3 Ų | 131.3 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | 166.4 | 69.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 229 | H | 28.3 | Very low | 31.3 | Very low | 178 Ų | 178 | 134.3 Ų | 134.3 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | trans | -49.4 | 155.2 | 178.1 | -131.8 | -39.1 | 0 | 0 | 0 | 119.9 | ||||
| 230 | M | 26.6 | Very low | 31.5 | Very low | 160 Ų | 160 | 138.3 Ų | 138.3 | 79% | 0.788 | 78% | 0.781 | S | S | * | * | trans | 90 | 155.9 | 145.1 | -71.3 | -129 | 74.6 | 0 | 0 | 124 | ||||
| 231 | Q | 30.5 | Very low | 31.4 | Very low | 162 Ų | 162 | 137.5 Ų | 137.5 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | trans | -77.3 | 172.2 | 168.8 | -75.7 | -85.3 | -24.4 | 0 | 0 | 111.2 | ||||
| 232 | P | 42.4 | Very low | 31.6 | Very low | 119 Ų | 119 | 141.3 Ų | 141.3 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | cis | -148.4 | -161.5 | 30.4 | 42.9 | -19.7 | 0 | 0 | 0 | 117.4 | ||||
| 233 | S | 28.8 | Very low | 32.1 | Very low | 105 Ų | 105 | 139.7 Ų | 139.7 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | -89.1 | -174.9 | 166.6 | -140.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 234 | P | 53.5 | Low | 31.9 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 66% | 0.656 | 79% | 0.788 | S | S | * | * | cis | -143.5 | -168.1 | 4.5 | 31.2 | -4.3 | 0 | 0 | 0 | 116.8 | ||||
| 235 | L | 31 | Very low | 31.8 | Very low | 139 Ų | 139 | 140 Ų | 140 | 73% | 0.728 | 79% | 0.79 | S | S | * | * | trans | 128.1 | 127.2 | 139.8 | -69.3 | 154.3 | 0 | 0 | 0 | 121.5 | ||||
| 236 | K | 29.6 | Very low | 32.8 | Very low | 197 Ų | 197 | 141.4 Ų | 141.4 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | trans | 90.2 | 156.2 | 136.5 | -77.6 | 171.8 | 176.5 | 173.7 | 0 | 124.6 | ||||
| 237 | K | 31.9 | Very low | 32.8 | Very low | 203 Ų | 203 | 141.9 Ų | 141.9 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -95.3 | 175.3 | -174.6 | -77.8 | 179.7 | 177 | -179.4 | 0 | 111.2 | ||||
| 238 | P | 46.2 | Very low | 32.7 | Very low | 121 Ų | 121 | 140.3 Ų | 140.3 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | cis | -136.7 | -160.2 | 39.7 | 36.9 | -11.2 | 0 | 0 | 0 | 114.1 | ||||
| 239 | M | 25.2 | Very low | 32.7 | Very low | 179 Ų | 179 | 147.7 Ų | 147.7 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | cis | -159.7 | 175.6 | 27.1 | -168.5 | 159.8 | 164.8 | 0 | 0 | 113.9 | ||||
| 240 | Q | 30.8 | Very low | 32.6 | Very low | 161 Ų | 161 | 142.4 Ų | 142.4 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | trans | -111.5 | 163.6 | -175.8 | -53.3 | 160.8 | -78.9 | 0 | 0 | 113.1 | ||||
| 241 | V | 26.8 | Very low | 32.6 | Very low | 140 Ų | 140 | 139.7 Ų | 139.7 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | trans | -143.9 | 144.8 | 151.1 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 242 | I | 30.9 | Very low | 32.2 | Very low | 140 Ų | 140 | 138.3 Ų | 138.3 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | trans | -137.2 | 147.9 | 168.1 | -35.9 | 174.2 | 0 | 0 | 0 | 107.5 | ||||
| 243 | P | 41.5 | Very low | 31.5 | Very low | 110 Ų | 110 | 143.2 Ų | 143.2 | 71% | 0.714 | 77% | 0.768 | S | S | * | * | -148.6 | 173.1 | 119.2 | 36.6 | -20.7 | 0 | 0 | 0 | 113.3 | |||||
| 244 | S | 27.6 | Very low | 31.2 | Very low | 119 Ų | 119 | 142.3 Ų | 142.3 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | cis | -165.5 | 169.9 | -28.1 | -90 | 0 | 0 | 0 | 0 | 110 | ||||
| 245 | N | 27.2 | Very low | 29.7 | Very low | 155 Ų | 155 | 142.9 Ų | 142.9 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | trans | -74.1 | -172.5 | -177.4 | -137.7 | 17.8 | 0 | 0 | 0 | 112.9 | ||||
| 246 | P | 49.1 | Very low | 29.3 | Very low | 98 Ų | 98 | 143.6 Ų | 143.6 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | cis | -150.8 | -175.3 | 23.4 | 36.3 | -9.4 | 0 | 0 | 0 | 121.1 | ||||
| 247 | Q | 28.5 | Very low | 29 | Very low | 171 Ų | 171 | 140.5 Ų | 140.5 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | trans | 81.5 | 148.5 | 160.8 | -41.8 | -168.8 | -68 | 0 | 0 | 117.6 | ||||
| 248 | T | 25.1 | Very low | 28.9 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 68% | 0.675 | 76% | 0.755 | S | S | * | * | cis | -153.6 | 161.3 | 8 | -22.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 249 | Y | 26.1 | Very low | 28.1 | Very low | 233 Ų | 233 | 136.3 Ų | 136.3 | 91% | 0.914 | 75% | 0.754 | S | S | * | * | trans | 61.8 | 143.7 | 170.3 | -89.8 | -97 | 0 | 0 | 0 | 117.4 | ||||
| 250 | G | 24.5 | Very low | 28.1 | Very low | 68 Ų | 68 | 131.1 Ų | 131.1 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | cis | -173.3 | 157.3 | -6.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 251 | S | 27.5 | Very low | 27.8 | Very low | 102 Ų | 102 | 126.5 Ų | 126.5 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | trans | -49.3 | 166.9 | 175.7 | -70.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 252 | E | 22.9 | Very low | 27.8 | Very low | 134 Ų | 134 | 131.3 Ų | 131.3 | 63% | 0.626 | 75% | 0.745 | S | S | * | * | cis | -173.4 | 159.4 | -14.2 | -107.4 | 169.5 | 110.2 | 0 | 0 | 109.8 | ||||
| 253 | W | 27.3 | Very low | 27.7 | Very low | 221 Ų | 221 | 132.2 Ų | 132.2 | 84% | 0.837 | 75% | 0.746 | S | S | * | * | trans | 64.6 | 169.5 | 148.5 | -70.2 | 31.2 | 0 | 0 | 0 | 117.2 | ||||
| 254 | S | 22.1 | Very low | 27.1 | Very low | 86 Ų | 86 | 132.7 Ų | 132.7 | 60% | 0.601 | 74% | 0.742 | S | S | * | * | cis | -163 | 170.9 | -31.9 | -92.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 255 | S | 22.6 | Very low | 27.1 | Very low | 114 Ų | 114 | 136 Ų | 136 | 80% | 0.797 | 74% | 0.742 | S | S | * | * | trans | 74.2 | 162.6 | 160.2 | -52.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 256 | Q | 21.6 | Very low | 27.3 | Very low | 153 Ų | 153 | 135.4 Ų | 135.4 | 72% | 0.715 | 74% | 0.737 | S | S | * | * | cis | 169.6 | 126.8 | -49.6 | 169.8 | 170.3 | 6.4 | 0 | 0 | 109.4 | ||||
| 257 | D | 24.8 | Very low | 26.3 | Very low | 132 Ų | 132 | 135.6 Ų | 135.6 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | trans | 50.2 | 176.1 | 159.6 | -50.8 | -19.7 | 0 | 0 | 0 | 118 | ||||
| 258 | D | 28.4 | Very low | 26.4 | Very low | 146 Ų | 146 | 133.5 Ų | 133.5 | 78% | 0.781 | 74% | 0.74 | S | S | * | * | cis | -119.4 | -145.7 | -11.6 | -167.1 | -146.4 | 0 | 0 | 0 | 106.5 | ||||
| 259 | A | 30.3 | Very low | 26.6 | Very low | 91 Ų | 91 | 134.5 Ų | 134.5 | 75% | 0.752 | 74% | 0.741 | S | S | * | * | cis | -154.1 | 159.7 | -1.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 260 | G | 23.9 | Very low | 27 | Very low | 70 Ų | 70 | 132 Ų | 132 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | cis | 179.7 | -169.7 | -0.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 261 | G | 25 | Very low | 27.7 | Very low | 64 Ų | 64 | 133 Ų | 133 | 66% | 0.66 | 74% | 0.74 | S | S | * | * | cis | 156.4 | 166.2 | 0.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 262 | R | 27.6 | Very low | 29.1 | Very low | 241 Ų | 241 | 133.5 Ų | 133.5 | 91% | 0.909 | 74% | 0.74 | S | S | * | * | trans | 166.1 | 118.5 | 157 | -98.8 | 167.4 | -172.6 | -108.5 | 1.8 | 112.2 | ||||
| 263 | Q | 29.4 | Very low | 29.6 | Very low | 159 Ų | 159 | 134.8 Ų | 134.8 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | 155.8 | 122 | 115.8 | -77.1 | -151.7 | 8.8 | 0 | 0 | 114.6 | |||||
| 264 | N | 27.4 | Very low | 30.1 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | trans | 79.8 | 110.7 | 135.8 | -64.9 | 0.5 | 0 | 0 | 0 | 124.4 | ||||
| 265 | F | 28.6 | Very low | 31.4 | Very low | 188 Ų | 188 | 130.8 Ų | 130.8 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | trans | 66.1 | 146.1 | 139.5 | -71.3 | -71.9 | 0 | 0 | 0 | 119.8 | ||||
| 266 | I | 31.3 | Very low | 32.1 | Very low | 144 Ų | 144 | 134.2 Ų | 134.2 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | cis | -151.3 | 168.4 | 23.6 | -122 | 149.3 | 0 | 0 | 0 | 111.9 | ||||
| 267 | S | 27.9 | Very low | 32.6 | Very low | 102 Ų | 102 | 132.7 Ų | 132.7 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | trans | 73.3 | 126.6 | 175.6 | -62 | 0 | 0 | 0 | 0 | 117 | ||||
| 268 | T | 29.5 | Very low | 33.4 | Very low | 126 Ų | 126 | 131.9 Ų | 131.9 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | cis | 79.7 | 122 | 37.2 | -49.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 269 | D | 30.1 | Very low | 33.7 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | cis | -143 | -171.4 | 16.2 | -143.7 | -46.2 | 0 | 0 | 0 | 113.4 | ||||
| 270 | H | 33.6 | Very low | 33.8 | Very low | 180 Ų | 180 | 133.5 Ų | 133.5 | 83% | 0.833 | 78% | 0.776 | S | S | * | * | trans | 92.4 | 87.7 | 170.5 | -53.8 | -55.6 | 0 | 0 | 0 | 118.5 | ||||
| 271 | A | 40 | Very low | 34.3 | Very low | 90 Ų | 90 | 135.5 Ų | 135.5 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | trans | -88.8 | -173.4 | 155.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 272 | P | 56.3 | Low | 34.9 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | cis | -122.1 | -172.4 | -4.2 | 28 | -2.4 | 0 | 0 | 0 | 111.4 | ||||
| 273 | L | 33.8 | Very low | 35 | Very low | 161 Ų | 161 | 130.5 Ų | 130.5 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | cis | -159.5 | 148.2 | 45.9 | -74.7 | 157.9 | 0 | 0 | 0 | 112.4 | ||||
| 274 | S | 37.8 | Very low | 35.5 | Very low | 110 Ų | 110 | 128.3 Ų | 128.3 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -95.4 | 165.5 | 159 | -41.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 275 | P | 50 | Low | 35.9 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | -146.7 | 155.1 | 75.3 | 38.2 | -20 | 0 | 0 | 0 | 117.4 | |||||
| 276 | Q | 36.4 | Very low | 36.7 | Very low | 185 Ų | 185 | 130.8 Ų | 130.8 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | 8.9 | 134.1 | 143.7 | -53 | 174 | -83.7 | 0 | 0 | 119.9 | ||||
| 277 | S | 32.4 | Very low | 37 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | -161.7 | 154 | 110.4 | 44.5 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 278 | S | 42 | Very low | 37.7 | Very low | 116 Ų | 116 | 133.7 Ų | 133.7 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | trans | -131.1 | 124.4 | 178.1 | 52.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 279 | I | 34 | Very low | 38.1 | Very low | 172 Ų | 172 | 137.2 Ų | 137.2 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | trans | -148.4 | 158.8 | 166.7 | 16.5 | 174.4 | 0 | 0 | 0 | 109.8 | ||||
| 280 | A | 33.8 | Very low | 38.6 | Very low | 98 Ų | 98 | 139.6 Ų | 139.6 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | trans | -95.6 | 171.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 281 | S | 33.9 | Very low | 38.9 | Very low | 113 Ų | 113 | 134.3 Ų | 134.3 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | trans | 139.2 | 132 | 132.5 | -164.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 282 | S | 36.1 | Very low | 39.1 | Very low | 122 Ų | 122 | 135.9 Ų | 135.9 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | trans | 41.6 | 109.1 | 144.7 | -163.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 283 | G | 29.7 | Very low | 39.3 | Very low | 77 Ų | 77 | 134.4 Ų | 134.4 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | trans | -152 | 131.2 | 157.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 284 | S | 40.3 | Very low | 41.3 | Very low | 114 Ų | 114 | 135.2 Ų | 135.2 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | trans | -101.3 | -172.5 | 177.4 | -169.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 285 | E | 36.3 | Very low | 43.6 | Very low | 182 Ų | 182 | 133 Ų | 133 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | 85.1 | 151.2 | 163.1 | -52.9 | -175 | 156 | 0 | 0 | 117.1 | ||||
| 286 | Q | 44.9 | Very low | 45.5 | Very low | 177 Ų | 177 | 128 Ų | 128 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | trans | -81.6 | 149.7 | -161.2 | -61.8 | 147.2 | -73.4 | 0 | 0 | 112 | ||||
| 287 | T | 38.4 | Very low | 48.2 | Very low | 141 Ų | 141 | 120.6 Ų | 120.6 | 87% | 0.865 | 72% | 0.72 | S | S | * | * | trans | -139.6 | 130.4 | 145.2 | -55.3 | 0 | 0 | 0 | 0 | 108.3 | E289 | T287-E289 PolarHBondContact O-N 3.49Š| ||
| 288 | E | 43.4 | Very low | 50.8 | Low | 166 Ų | 166 | 121.5 Ų | 121.5 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | trans | -83.7 | 104.6 | -177.8 | -61.8 | 176 | 115.2 | 0 | 0 | 110 | Q290 | E288-Q290 PolarHBondContact O-N 2.89Š| ||
| 289 | E | 37.5 | Very low | 52.9 | Low | 199 Ų | 199 | 119.4 Ų | 119.4 | 93% | 0.93 | 69% | 0.692 | S | S | * | * | trans | -80.3 | 73.4 | 169.1 | -161 | 177.9 | 179.9 | 0 | 0 | 110.4 | T287 G291 | T287-E289 PolarHBondContact O-N 3.49Å; E289-G291 PolarHBondContact O-N 3.36Å | ||
| 290 | Q | 40.2 | Very low | 55.1 | Low | 182 Ų | 182 | 116.9 Ų | 116.9 | 85% | 0.85 | 68% | 0.68 | S | S | * | * | trans | -80.2 | 114.4 | -179.6 | -171.5 | 175.9 | 35.1 | 0 | 0 | 110.7 | E288 | E288-Q290 PolarHBondContact O-N 2.89Š| ||
| 291 | G | 40.4 | Very low | 57.2 | Low | 69 Ų | 69 | 113.9 Ų | 113.9 | 71% | 0.711 | 66% | 0.659 | S | S | * | * | trans | 170.3 | -25 | 172.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | E289 A293 | E289-G291 PolarHBondContact O-N 3.36Å; G291-A293 PolarHBondContact O-N 2.85Å | ||
| 292 | S | 43.5 | Very low | 59.7 | Low | 123 Ų | 123 | 109.2 Ų | 109.2 | 86% | 0.86 | 63% | 0.626 | S | S | * | * | trans | -71.8 | 106.6 | 175.9 | -167.9 | 0 | 0 | 0 | 0 | 110.2 | R294 | S292-R294 PolarHBondContact O-N 3.36Š| ||
| 293 | A | 60.3 | Low | 62.2 | Low | 80 Ų | 80 | 103.6 Ų | 103.6 | 66% | 0.661 | 59% | 0.588 | S | S | * | * | trans | -67.5 | 92.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G291 N295 | G291-A293 PolarHBondContact O-N 2.85Å; A293-N295 PolarHBondContact O-N 3.44Å; A293-N295 VanDerWaalsContact O-N 3.09Å | ||
| 294 | R | 75.6 | Confident | 65.3 | Low | 178 Ų | 178 | 100 Ų | 100 | 67% | 0.672 | 55% | 0.55 | S | S | * | . | trans | -53.3 | 116.7 | 177.3 | -170.5 | -170.7 | -170.3 | 109.7 | -9.8 | 109.5 | S292 E299 | S292-R294 PolarHBondContact O-N 3.36Å; R294-E299 IonicContact CZ-OE1 3.44Å; R294-E299 IonicContact CZ-OE2 3.69Å; R294-E299 VanDerWaalsContact CZ-OE2 3.26Å; R294-E299 IonicContact NE-OE2 2.85Å; R294-E299 PolarHBondContact NE-OE2 3.03Å; R294-E299 IonicContact NH2-OE1 3.1Å; R294-E299 PolarHBondContact NH2-OE1 3.46Å; R294-E299 IonicContact NH2-OE2 4Å; R294-E299 PolarHBondContact NH2-OE2 2.91Å | ||
| 295 | N | 87.1 | Confident | 67.8 | Low | 63 Ų | 63 | 98.1 Ų | 98.1 | 34% | 0.337 | 53% | 0.528 | S | S | . | . | trans | -103.4 | 104.5 | -179.6 | -171.2 | -30.6 | 0 | 0 | 0 | 109.5 | A293 F297 L298 S324 | A293-N295 PolarHBondContact O-N 3.44Å; A293-N295 VanDerWaalsContact O-N 3.09Å; N295-F297 PolarHBondContact O-N 3.08Å; N295-F297 VanDerWaalsContact OD1-CB 3.3Å; N295-F297 WeakPolarHBondContact OD1-CB 3.47Å; N295-F297 VanDerWaalsContact OD1-CD2 3.28Å; N295-F297 WeakPolarHBondContact OD1-CD2 3.34Å; N295-F297 WeakPolarHBondContact OD1-CG 3.29Å; N295-F297 PolarHBondContact OD1-N 2.9Å; N295-F297 VanDerWaalsContact OD1-N 3.16Å; N295-L298 HydrophobicContact CB-CD1 4.41Å; N295-L298 HydrophobicContact CB-CG 4.47Å; N295-L298 PolarHBondContact O-N 3.37Å; N295-S324 WeakPolarHBondContact CA-O 3.39Å; N295-S324 WeakPolarHBondContact OD1-CB 3.27Å | ||
| 296 | T | 89.4 | Confident | 70.6 | Confident | 11 Ų | 11 | 92.3 Ų | 92.3 | 7% | 0.067 | 50% | 0.503 | C | S | . | . | G | 310 helix | trans | -61.5 | -18.3 | -174.4 | -27 | 0 | 0 | 0 | 0 | 113.1 | L298 E299 S302 M304 S324 M326 | T296-L298 PolarHBondContact O-N 2.85Å; T296-E299 PolarHBondContact O-N 3.14Å; T296-S302 PolarHBondContact O-OG 3.42Å; T296-M304 HydrophobicContact CG2-CB 3.92Å; T296-M304 HydrophobicContact CG2-CG 3.68Å; T296-S324 PolarHBondContact N-O 3.2Å; T296-S324 PolarHBondContact OG1-O 3.36Å; T296-M326 WeakPolarHBondContact CB-O 3.32Å; T296-M326 PolarHBondContact OG1-O 3.37Å |
| 297 | F | 91.9 | Very high | 73 | Confident | 28 Ų | 28 | 83.9 Ų | 83.9 | 12% | 0.123 | 46% | 0.463 | C | S | . | . | G | 310 helix | trans | -66.8 | -18.3 | 174.3 | -54.6 | -30.2 | 0 | 0 | 0 | 113.8 | N295 M304 V307 P308 A320 F323 S324 | N295-F297 PolarHBondContact O-N 3.08Å; N295-F297 VanDerWaalsContact OD1-CB 3.3Å; N295-F297 WeakPolarHBondContact OD1-CB 3.47Å; N295-F297 VanDerWaalsContact OD1-CD2 3.28Å; N295-F297 WeakPolarHBondContact OD1-CD2 3.34Å; N295-F297 WeakPolarHBondContact OD1-CG 3.29Å; N295-F297 PolarHBondContact OD1-N 2.9Å; N295-F297 VanDerWaalsContact OD1-N 3.16Å; F297-M304 HydrophobicContact CD1-CB 4.17Å; F297-M304 VanDerWaalsContact CD1-O 3.26Å; F297-M304 WeakPolarHBondContact CD1-O 3.44Å; F297-M304 HydrophobicContact CE1-CE 4.35Å; F297-V307 HydrophobicContact CE1-CB 3.92Å; F297-V307 HydrophobicContact CE1-CG1 4.1Å; F297-P308 HydrophobicContact CB-CG 4.31Å; F297-P308 HydrophobicContact CD1-CG 3.83Å; F297-P308 HydrophobicContact CD2-CG 3.5Å; F297-P308 HydrophobicContact CE1-CG 3.91Å; F297-P308 HydrophobicContact CE2-CG 3.58Å; F297-P308 HydrophobicContact CG-CG 3.62Å; F297-P308 HydrophobicContact CZ-CG 3.77Å; F297-A320 WeakPolarHBondContact CE2-O 3.35Å; F297-A320 VanDerWaalsContact CZ-O 3.23Å; F297-A320 WeakPolarHBondContact CZ-O 3.47Å; F297-F323 HydrophobicContact CE1-CB 3.94Å; F297-F323 WeakPolarHBondContact CE1-O 3.2Å; F297-F323 VanDerWaalsContact CZ-C 3.45Å; F297-F323 HydrophobicContact CZ-CB 3.78Å; F297-S324 VanDerWaalsContact CE2-CB 3.48Å; F297-S324 VanDerWaalsContact CZ-N 3.29Å |
| 298 | L | 87.1 | Confident | 75.8 | Confident | 140 Ų | 140 | 78.7 Ų | 78.7 | 73% | 0.733 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -96.7 | -3.1 | 178 | -57.1 | -179.2 | 0 | 0 | 0 | 112.8 | N295 T296 | N295-L298 HydrophobicContact CB-CD1 4.41Å; N295-L298 HydrophobicContact CB-CG 4.47Å; N295-L298 PolarHBondContact O-N 3.37Å; T296-L298 PolarHBondContact O-N 2.85Å |
| 299 | E | 86.4 | Confident | 78.3 | Confident | 72 Ų | 72 | 73.8 Ų | 73.8 | 34% | 0.336 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -89.8 | 109.6 | -177.1 | -171.6 | 163.1 | 175.8 | 0 | 0 | 110.2 | R294 T296 S302 | R294-E299 IonicContact CZ-OE1 3.44Å; R294-E299 IonicContact CZ-OE2 3.69Å; R294-E299 VanDerWaalsContact CZ-OE2 3.26Å; R294-E299 IonicContact NE-OE2 2.85Å; R294-E299 PolarHBondContact NE-OE2 3.03Å; R294-E299 IonicContact NH2-OE1 3.1Å; R294-E299 PolarHBondContact NH2-OE1 3.46Å; R294-E299 IonicContact NH2-OE2 4Å; R294-E299 PolarHBondContact NH2-OE2 2.91Å; T296-E299 PolarHBondContact O-N 3.14Å; E299-S302 WeakPolarHBondContact O-CB 3.42Å; E299-S302 PolarHBondContact O-N 3.5Å; E299-S302 PolarHBondContact O-OG 2.88Å |
| 300 | D | 80.3 | Confident | 81.1 | Confident | 120 Ų | 120 | 65 Ų | 65 | 64% | 0.642 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 140.2 | -178.4 | -70.7 | -31.5 | 0 | 0 | 0 | 111.8 | S302 K305 | D300-S302 PolarHBondContact O-N 3.49Å; D300-K305 IonicContact OD1-NZ 2.76Å; D300-K305 PolarHBondContact OD1-NZ 2.91Å |
| 301 | G | 79.1 | Confident | 83.9 | Confident | 35 Ų | 35 | 56.3 Ų | 56.3 | 36% | 0.361 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | -11.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | G303 A396 | G301-G303 PolarHBondContact O-N 3.01Å; G301-G303 VanDerWaalsContact O-N 3.08Å; G301-A396 PolarHBondContact O-N 3.38Å |
| 302 | S | 85.8 | Confident | 86.6 | Confident | 14 Ų | 14 | 59.5 Ų | 59.5 | 10% | 0.098 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -56.1 | -26.3 | -178.5 | 64 | 0 | 0 | 0 | 0 | 115.1 | T296 E299 D300 M304 Y328 K395 | T296-S302 PolarHBondContact O-OG 3.42Å; E299-S302 WeakPolarHBondContact O-CB 3.42Å; E299-S302 PolarHBondContact O-N 3.5Å; E299-S302 PolarHBondContact O-OG 2.88Å; D300-S302 PolarHBondContact O-N 3.49Å; S302-M304 VanDerWaalsContact C-N 3.27Å; S302-M304 PolarHBondContact OG-N 3.18Å; S302-M304 VanDerWaalsContact OG-N 3.07Å; S302-Y328 VanDerWaalsContact O-CB 3.26Å; S302-Y328 WeakPolarHBondContact O-CB 3.41Å; S302-K395 WeakPolarHBondContact O-CD 3.36Å; S302-K395 WeakPolarHBondContact O-CG 3.47Å |
| 303 | G | 89.4 | Confident | 89.1 | Confident | 5 Ų | 5 | 57.3 Ų | 57.3 | 5% | 0.052 | 32% | 0.316 | C | S | . | . | S | Bend | trans | 81.7 | -3.7 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | G301 P393 | G301-G303 PolarHBondContact O-N 3.01Å; G301-G303 VanDerWaalsContact O-N 3.08Å; G303-P393 VanDerWaalsContact O-CB 3.28Å; G303-P393 WeakPolarHBondContact O-CB 3.23Å |
| 304 | M | 94.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | trans | -91.6 | -21.3 | -178.7 | -65.7 | -58.8 | -73.3 | 0 | 0 | 113.5 | T296 F297 S302 D306 V307 F323 M326 Y328 M331 | T296-M304 HydrophobicContact CG2-CB 3.92Å; T296-M304 HydrophobicContact CG2-CG 3.68Å; F297-M304 HydrophobicContact CD1-CB 4.17Å; F297-M304 VanDerWaalsContact CD1-O 3.26Å; F297-M304 WeakPolarHBondContact CD1-O 3.44Å; F297-M304 HydrophobicContact CE1-CE 4.35Å; S302-M304 VanDerWaalsContact C-N 3.27Å; S302-M304 PolarHBondContact OG-N 3.18Å; S302-M304 VanDerWaalsContact OG-N 3.07Å; M304-D306 PolarHBondContact O-N 3.43Å; M304-D306 VanDerWaalsContact O-N 3.14Å; M304-V307 HydrophobicContact CE-CG2 4Å; M304-V307 VanDerWaalsContact O-CB 3.25Å; M304-V307 WeakPolarHBondContact O-CB 3.35Å; M304-V307 WeakPolarHBondContact O-CG2 3.23Å; M304-V307 PolarHBondContact O-N 3.38Å; M304-V307 HydrophobicContact SD-CG2 3.87Å; M304-F323 HydrophobicContact CE-CB 4.21Å; M304-F323 WeakPolarHBondContact CE-O 3.32Å; M304-M326 HydrophobicContact CE-CG 3.61Å; M304-M326 HydrophobicContact CE-SD 4.33Å; M304-Y328 VanDerWaalsContact SD-CA 3.52Å; M304-Y328 HydrophobicContact SD-CD2 4.42Å; M304-M331 HydrophobicContact CE-CB 4.46Å; M304-M331 HydrophobicContact CE-SD 4.25Å; M304-M331 HydrophobicContact SD-CB 4.32Å; M304-M331 HydrophobicContact SD-CE 4.01Å; M304-M331 HydrophobicContact SD-SD 4.09Å | ||
| 305 | K | 92.4 | Very high | 91.8 | Very high | 75 Ų | 75 | 55.1 Ų | 55.1 | 33% | 0.326 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | -36.2 | -179.1 | -164.5 | 170.6 | -173.2 | 174.9 | 0 | 114.6 | D300 P308 E491 | D300-K305 IonicContact OD1-NZ 2.76Å; D300-K305 PolarHBondContact OD1-NZ 2.91Å; K305-P308 WeakPolarHBondContact O-CD 3.27Å; K305-E491 VanDerWaalsContact CD-OE2 3.25Å; K305-E491 WeakPolarHBondContact CD-OE2 3.38Å; K305-E491 IonicContact NZ-OE1 3.89Å; K305-E491 PolarHBondContact NZ-OE1 3.02Å; K305-E491 IonicContact NZ-OE2 3.25Å; K305-E491 PolarHBondContact NZ-OE2 3.02Å |
| 306 | D | 93.9 | Very high | 92.3 | Very high | 61 Ų | 61 | 52.5 Ų | 52.5 | 33% | 0.326 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -14.9 | 179.3 | -62.9 | -66.7 | 0 | 0 | 0 | 114.3 | M304 A309 W310 P393 H490 | M304-D306 PolarHBondContact O-N 3.43Å; M304-D306 VanDerWaalsContact O-N 3.14Å; D306-A309 PolarHBondContact O-N 3.09Å; D306-W310 PolarHBondContact O-N 2.77Å; D306-P393 HydrophobicContact CB-CB 4.13Å; D306-P393 HydrophobicContact CB-CG 4.47Å; D306-H490 IonicContact OD2-CE1 3.5Å |
| 307 | V | 96.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -55.8 | -41.8 | -176.6 | 176.1 | 0 | 0 | 0 | 0 | 112.7 | F297 M304 A309 W310 L311 F323 M331 P393 | F297-V307 HydrophobicContact CE1-CB 3.92Å; F297-V307 HydrophobicContact CE1-CG1 4.1Å; M304-V307 HydrophobicContact CE-CG2 4Å; M304-V307 VanDerWaalsContact O-CB 3.25Å; M304-V307 WeakPolarHBondContact O-CB 3.35Å; M304-V307 WeakPolarHBondContact O-CG2 3.23Å; M304-V307 PolarHBondContact O-N 3.38Å; M304-V307 HydrophobicContact SD-CG2 3.87Å; V307-A309 VanDerWaalsContact C-N 3.29Å; V307-A309 PolarHBondContact O-N 3.29Å; V307-W310 HydrophobicContact CG1-CE3 4.42Å; V307-W310 PolarHBondContact O-N 3.1Å; V307-L311 HydrophobicContact CG1-CD1 3.69Å; V307-L311 HydrophobicContact CG1-CG 4.01Å; V307-L311 WeakPolarHBondContact O-CB 3.43Å; V307-L311 VanDerWaalsContact O-CG 3.29Å; V307-L311 WeakPolarHBondContact O-CG 3.34Å; V307-L311 PolarHBondContact O-N 3Å; V307-F323 HydrophobicContact CG1-CB 3.8Å; V307-F323 HydrophobicContact CG1-CD1 3.94Å; V307-F323 HydrophobicContact CG1-CG 3.95Å; V307-M331 HydrophobicContact CG1-SD 4.42Å; V307-M331 HydrophobicContact CG2-CE 4.17Å; V307-M331 HydrophobicContact CG2-SD 3.76Å; V307-P393 HydrophobicContact CB-CG 4.35Å; V307-P393 HydrophobicContact CG2-CB 3.75Å; V307-P393 HydrophobicContact CG2-CG 3.61Å |
| 308 | P | 95.9 | Very high | 92.9 | Very high | 31 Ų | 31 | 63.3 Ų | 63.3 | 20% | 0.201 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.9 | -32.3 | 175.6 | -25 | 36.2 | 0 | 0 | 0 | 114.2 | F297 K305 K312 | F297-P308 HydrophobicContact CB-CG 4.31Å; F297-P308 HydrophobicContact CD1-CG 3.83Å; F297-P308 HydrophobicContact CD2-CG 3.5Å; F297-P308 HydrophobicContact CE1-CG 3.91Å; F297-P308 HydrophobicContact CE2-CG 3.58Å; F297-P308 HydrophobicContact CG-CG 3.62Å; F297-P308 HydrophobicContact CZ-CG 3.77Å; K305-P308 WeakPolarHBondContact O-CD 3.27Å; P308-K312 WeakPolarHBondContact O-CD 3.4Å; P308-K312 VanDerWaalsContact O-CG 3.25Å; P308-K312 WeakPolarHBondContact O-CG 3.41Å; P308-K312 PolarHBondContact O-N 2.69Å |
| 309 | A | 95.8 | Very high | 93.3 | Very high | 63 Ų | 63 | 58.2 Ų | 58.2 | 52% | 0.521 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -78.3 | -41.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | D306 V307 K312 S313 | D306-A309 PolarHBondContact O-N 3.09Å; V307-A309 VanDerWaalsContact C-N 3.29Å; V307-A309 PolarHBondContact O-N 3.29Å; A309-K312 WeakPolarHBondContact O-CB 3.34Å; A309-K312 PolarHBondContact O-N 3.16Å; A309-K312 VanDerWaalsContact O-N 3.16Å; A309-S313 PolarHBondContact O-N 2.85Å; A309-S313 VanDerWaalsContact O-N 3.08Å |
| 310 | W | 97.2 | Very high | 93.8 | Very high | 14 Ų | 14 | 55.8 Ų | 55.8 | 5% | 0.053 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 173.9 | 178.1 | 71.1 | 0 | 0 | 0 | 112.4 | D306 V307 K312 S313 L314 M331 I356 L359 P393 | D306-W310 PolarHBondContact O-N 2.77Å; V307-W310 HydrophobicContact CG1-CE3 4.42Å; V307-W310 PolarHBondContact O-N 3.1Å; W310-K312 PolarHBondContact O-N 2.95Å; W310-S313 PolarHBondContact O-N 3.48Å; W310-S313 PolarHBondContact O-OG 2.79Å; W310-L314 HydrophobicContact CD2-CD1 3.81Å; W310-L314 VanDerWaalsContact CE2-CD1 3.49Å; W310-L314 HydrophobicContact CE3-CD1 4.24Å; W310-L314 HydrophobicContact CG-CD1 4.34Å; W310-L314 HydrophobicContact CH2-CD1 4.15Å; W310-L314 HydrophobicContact CZ2-CD1 3.69Å; W310-L314 HydrophobicContact CZ3-CD1 4.4Å; W310-L314 WeakPolarHBondContact O-CG 3.43Å; W310-L314 PolarHBondContact O-N 3.41Å; W310-M331 HydrophobicContact CZ3-SD 4.45Å; W310-I356 HydrophobicContact CH2-CG1 4.17Å; W310-L359 HydrophobicContact CH2-CD1 3.66Å; W310-L359 HydrophobicContact CH2-CD2 4.43Å; W310-L359 HydrophobicContact CH2-CG 4.04Å; W310-L359 HydrophobicContact CZ2-CD1 3.8Å; W310-L359 HydrophobicContact CZ2-CD2 3.71Å; W310-L359 HydrophobicContact CZ2-CG 3.76Å; W310-L359 HydrophobicContact CZ3-CD1 4.27Å; W310-P393 HydrophobicContact CB-CG 3.91Å; W310-P393 HydrophobicContact CD2-CG 3.88Å; W310-P393 HydrophobicContact CE3-CG 3.93Å; W310-P393 HydrophobicContact CG-CG 3.92Å |
| 311 | L | 97.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.4 | -27.4 | 173.5 | -68.1 | 174.4 | 0 | 0 | 0 | 112.3 | V307 R315 L316 H317 A320 F323 | V307-L311 HydrophobicContact CG1-CD1 3.69Å; V307-L311 HydrophobicContact CG1-CG 4.01Å; V307-L311 WeakPolarHBondContact O-CB 3.43Å; V307-L311 VanDerWaalsContact O-CG 3.29Å; V307-L311 WeakPolarHBondContact O-CG 3.34Å; V307-L311 PolarHBondContact O-N 3Å; L311-R315 PolarHBondContact O-N 3.01Å; L311-L316 HydrophobicContact CD2-CB 3.85Å; L311-L316 CarbonylContact O-C 3.53Å; L311-L316 PolarHBondContact O-N 3.08Å; L311-H317 HydrophobicContact CB-CB 4.39Å; L311-H317 PolarHBondContact O-N 3.4Å; L311-A320 HydrophobicContact CD1-CB 4.13Å; L311-F323 HydrophobicContact CD1-CB 4.45Å; L311-F323 HydrophobicContact CD1-CD2 3.6Å; L311-F323 HydrophobicContact CD1-CE2 3.94Å; L311-F323 HydrophobicContact CD1-CG 4.02Å; L311-F323 HydrophobicContact CD2-CE2 4.28Å; L311-F323 HydrophobicContact CD2-CZ 4.41Å |
| 312 | K | 97.4 | Very high | 95.1 | Very high | 135 Ų | 135 | 54.3 Ų | 54.3 | 59% | 0.587 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -67.9 | -47.6 | 171.2 | -76.8 | 167.8 | -174.6 | 174.2 | 0 | 111.5 | P308 A309 W310 L314 R315 H317 | P308-K312 WeakPolarHBondContact O-CD 3.4Å; P308-K312 VanDerWaalsContact O-CG 3.25Å; P308-K312 WeakPolarHBondContact O-CG 3.41Å; P308-K312 PolarHBondContact O-N 2.69Å; A309-K312 WeakPolarHBondContact O-CB 3.34Å; A309-K312 PolarHBondContact O-N 3.16Å; A309-K312 VanDerWaalsContact O-N 3.16Å; W310-K312 PolarHBondContact O-N 2.95Å; K312-L314 VanDerWaalsContact C-N 3.31Å; K312-L314 PolarHBondContact O-N 3.43Å; K312-R315 PolarHBondContact O-N 3.05Å; K312-H317 HydrophobicContact CB-CB 4.43Å; K312-H317 HydrophobicContact CG-CB 3.64Å |
| 313 | S | 96.3 | Very high | 95.6 | Very high | 77 Ų | 77 | 53.7 Ų | 53.7 | 54% | 0.538 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.4 | -37.1 | 178.2 | 73.6 | 0 | 0 | 0 | 0 | 112.2 | A309 W310 R315 | A309-S313 PolarHBondContact O-N 2.85Å; A309-S313 VanDerWaalsContact O-N 3.08Å; W310-S313 PolarHBondContact O-N 3.48Å; W310-S313 PolarHBondContact O-OG 2.79Å; S313-R315 PolarHBondContact O-N 3.34Å |
| 314 | L | 96.4 | Very high | 95.8 | Very high | 36 Ų | 36 | 54.3 Ų | 54.3 | 19% | 0.188 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -4.8 | 173.7 | -64.8 | 177.4 | 0 | 0 | 0 | 114.5 | W310 K312 L316 K351 | W310-L314 HydrophobicContact CD2-CD1 3.81Å; W310-L314 VanDerWaalsContact CE2-CD1 3.49Å; W310-L314 HydrophobicContact CE3-CD1 4.24Å; W310-L314 HydrophobicContact CG-CD1 4.34Å; W310-L314 HydrophobicContact CH2-CD1 4.15Å; W310-L314 HydrophobicContact CZ2-CD1 3.69Å; W310-L314 HydrophobicContact CZ3-CD1 4.4Å; W310-L314 WeakPolarHBondContact O-CG 3.43Å; W310-L314 PolarHBondContact O-N 3.41Å; K312-L314 VanDerWaalsContact C-N 3.31Å; K312-L314 PolarHBondContact O-N 3.43Å; L314-L316 HydrophobicContact CB-CB 4.36Å; L314-L316 HydrophobicContact CB-CD1 3.92Å; L314-L316 HydrophobicContact CB-CG 4.21Å; L314-L316 HydrophobicContact CD1-CD1 4.22Å; L314-L316 PolarHBondContact O-N 3.34Å; L314-K351 WeakPolarHBondContact O-CE 3.16Å; L314-K351 PolarHBondContact O-NZ 3.19Å |
| 315 | R | 97.3 | Very high | 95.6 | Very high | 177 Ų | 177 | 61.7 Ų | 61.7 | 67% | 0.668 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 31.2 | -171.7 | -61.3 | 173.9 | 135.5 | 127.2 | -10.2 | 113.8 | L311 K312 S313 | L311-R315 PolarHBondContact O-N 3.01Å; K312-R315 PolarHBondContact O-N 3.05Å; S313-R315 PolarHBondContact O-N 3.34Å |
| 316 | L | 97.6 | Very high | 95.5 | Very high | 8 Ų | 8 | 59 Ų | 59 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | trans | -109.7 | 1.8 | 179.5 | -72.8 | 168.9 | 0 | 0 | 0 | 113.5 | L311 L314 K318 Y319 A348 K351 I352 | L311-L316 HydrophobicContact CD2-CB 3.85Å; L311-L316 CarbonylContact O-C 3.53Å; L311-L316 PolarHBondContact O-N 3.08Å; L314-L316 HydrophobicContact CB-CB 4.36Å; L314-L316 HydrophobicContact CB-CD1 3.92Å; L314-L316 HydrophobicContact CB-CG 4.21Å; L314-L316 HydrophobicContact CD1-CD1 4.22Å; L314-L316 PolarHBondContact O-N 3.34Å; L316-K318 PolarHBondContact O-N 3.06Å; L316-Y319 HydrophobicContact CD2-CD2 4.26Å; L316-Y319 HydrophobicContact CD2-CE2 4.33Å; L316-Y319 WeakPolarHBondContact O-CD2 3.32Å; L316-Y319 PolarHBondContact O-N 3.46Å; L316-A348 HydrophobicContact CD2-CB 3.97Å; L316-K351 HydrophobicContact CD1-CB 4.35Å; L316-K351 HydrophobicContact CD1-CD 4.08Å; L316-K351 HydrophobicContact CD1-CG 4.05Å; L316-K351 HydrophobicContact CD2-CD 4.29Å; L316-K351 HydrophobicContact CG-CD 4.23Å; L316-I352 HydrophobicContact CD1-CG1 3.68Å; L316-I352 HydrophobicContact CD2-CG1 4.18Å; L316-I352 HydrophobicContact CG-CG1 4.43Å | ||
| 317 | H | 96.5 | Very high | 95.5 | Very high | 102 Ų | 102 | 58.7 Ų | 58.7 | 47% | 0.472 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -57.2 | -14.7 | -174.4 | 65.9 | -96.7 | 0 | 0 | 0 | 116.2 | L311 K312 Y319 A320 | L311-H317 HydrophobicContact CB-CB 4.39Å; L311-H317 PolarHBondContact O-N 3.4Å; K312-H317 HydrophobicContact CB-CB 4.43Å; K312-H317 HydrophobicContact CG-CB 3.64Å; H317-Y319 PolarHBondContact O-N 2.97Å; H317-A320 VanDerWaalsContact O-CB 3.3Å; H317-A320 WeakPolarHBondContact O-CB 3.22Å; H317-A320 PolarHBondContact O-N 3.46Å; H317-A320 VanDerWaalsContact O-N 3.13Å |
| 318 | K | 96.3 | Very high | 95.4 | Very high | 164 Ų | 164 | 59.7 Ų | 59.7 | 71% | 0.713 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -53.1 | -34.2 | 167.3 | -177.2 | -177.1 | 176.6 | -172.3 | 0 | 111.7 | L316 | L316-K318 PolarHBondContact O-N 3.06Š|
| 319 | Y | 96.6 | Very high | 95.3 | Very high | 33 Ų | 33 | 62.6 Ų | 62.6 | 13% | 0.129 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -91 | 5.6 | -177 | -55.5 | -71.6 | 0 | 0 | 0 | 113.5 | L316 H317 S321 L322 F323 V344 T345 A348 I352 | L316-Y319 HydrophobicContact CD2-CD2 4.26Å; L316-Y319 HydrophobicContact CD2-CE2 4.33Å; L316-Y319 WeakPolarHBondContact O-CD2 3.32Å; L316-Y319 PolarHBondContact O-N 3.46Å; H317-Y319 PolarHBondContact O-N 2.97Å; Y319-S321 PolarHBondContact O-N 3.34Å; Y319-S321 VanDerWaalsContact O-N 3.15Å; Y319-L322 VanDerWaalsContact O-CB 3.31Å; Y319-L322 WeakPolarHBondContact O-CB 3.19Å; Y319-L322 PolarHBondContact O-N 2.95Å; Y319-F323 WeakPolarHBondContact O-CD2 3.37Å; Y319-V344 HydrophobicContact CD1-CB 4.48Å; Y319-V344 HydrophobicContact CD1-CG1 4.15Å; Y319-V344 HydrophobicContact CD1-CG2 3.94Å; Y319-V344 HydrophobicContact CE1-CB 4.21Å; Y319-V344 HydrophobicContact CE1-CG1 3.86Å; Y319-V344 HydrophobicContact CE1-CG2 4.14Å; Y319-V344 HydrophobicContact CE2-CG1 4.32Å; Y319-V344 HydrophobicContact CG-CG1 4.5Å; Y319-T345 PolarHBondContact OH-OG1 2.81Å; Y319-T345 VanDerWaalsContact OH-OG1 3.1Å; Y319-A348 HydrophobicContact CD2-CB 4.23Å; Y319-A348 HydrophobicContact CE2-CB 3.33Å; Y319-I352 HydrophobicContact CD2-CD1 4.28Å; Y319-I352 HydrophobicContact CG-CD1 4.44Å |
| 320 | A | 95.8 | Very high | 95.3 | Very high | 20 Ų | 20 | 64.3 Ų | 64.3 | 17% | 0.165 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.2 | -30.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | F297 L311 H317 L322 F323 S324 | F297-A320 WeakPolarHBondContact CE2-O 3.35Å; F297-A320 VanDerWaalsContact CZ-O 3.23Å; F297-A320 WeakPolarHBondContact CZ-O 3.47Å; L311-A320 HydrophobicContact CD1-CB 4.13Å; H317-A320 VanDerWaalsContact O-CB 3.3Å; H317-A320 WeakPolarHBondContact O-CB 3.22Å; H317-A320 PolarHBondContact O-N 3.46Å; H317-A320 VanDerWaalsContact O-N 3.13Å; A320-L322 VanDerWaalsContact C-N 3.25Å; A320-L322 PolarHBondContact O-N 2.97Å; A320-F323 PolarHBondContact O-N 3.48Å; A320-S324 PolarHBondContact O-N 2.98Å |
| 321 | S | 93.5 | Very high | 95.3 | Very high | 87 Ų | 87 | 63.6 Ų | 63.6 | 61% | 0.608 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -64.1 | -25.6 | 175.7 | 49.4 | 0 | 0 | 0 | 0 | 114.2 | Y319 F323 S324 | Y319-S321 PolarHBondContact O-N 3.34Å; Y319-S321 VanDerWaalsContact O-N 3.15Å; S321-F323 VanDerWaalsContact C-N 3.32Å; S321-S324 WeakPolarHBondContact CA-OG 3.48Å; S321-S324 PolarHBondContact O-OG 2.91Å |
| 322 | L | 94.4 | Very high | 95.2 | Very high | 38 Ų | 38 | 65.3 Ų | 65.3 | 20% | 0.199 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.4 | -38.9 | 172 | -179.3 | 60.2 | 0 | 0 | 0 | 110.6 | Y319 A320 M326 L339 Q342 V344 | Y319-L322 VanDerWaalsContact O-CB 3.31Å; Y319-L322 WeakPolarHBondContact O-CB 3.19Å; Y319-L322 PolarHBondContact O-N 2.95Å; A320-L322 VanDerWaalsContact C-N 3.25Å; A320-L322 PolarHBondContact O-N 2.97Å; L322-M326 HydrophobicContact CG-CE 4.08Å; L322-M326 WeakPolarHBondContact O-CE 3.39Å; L322-L339 HydrophobicContact CD2-CD2 3.79Å; L322-Q342 HydrophobicContact CD1-CB 4.07Å; L322-Q342 HydrophobicContact CD1-CG 3.82Å; L322-Q342 HydrophobicContact CD2-CB 4.08Å; L322-Q342 HydrophobicContact CD2-CG 4.47Å; L322-V344 HydrophobicContact CD2-CG2 4.08Å |
| 323 | F | 95.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -81.4 | -14.4 | -176.8 | -64.8 | -101 | 0 | 0 | 0 | 113.7 | F297 M304 V307 L311 Y319 A320 S321 Q325 M326 M331 L334 I352 I356 | F297-F323 HydrophobicContact CE1-CB 3.94Å; F297-F323 WeakPolarHBondContact CE1-O 3.2Å; F297-F323 VanDerWaalsContact CZ-C 3.45Å; F297-F323 HydrophobicContact CZ-CB 3.78Å; M304-F323 HydrophobicContact CE-CB 4.21Å; M304-F323 WeakPolarHBondContact CE-O 3.32Å; V307-F323 HydrophobicContact CG1-CB 3.8Å; V307-F323 HydrophobicContact CG1-CD1 3.94Å; V307-F323 HydrophobicContact CG1-CG 3.95Å; L311-F323 HydrophobicContact CD1-CB 4.45Å; L311-F323 HydrophobicContact CD1-CD2 3.6Å; L311-F323 HydrophobicContact CD1-CE2 3.94Å; L311-F323 HydrophobicContact CD1-CG 4.02Å; L311-F323 HydrophobicContact CD2-CE2 4.28Å; L311-F323 HydrophobicContact CD2-CZ 4.41Å; Y319-F323 WeakPolarHBondContact O-CD2 3.37Å; A320-F323 PolarHBondContact O-N 3.48Å; S321-F323 VanDerWaalsContact C-N 3.32Å; F323-Q325 PolarHBondContact O-N 3.49Å; F323-M326 HydrophobicContact CB-SD 4.32Å; F323-M326 HydrophobicContact CD1-CE 4.13Å; F323-M326 HydrophobicContact CD1-SD 3.45Å; F323-M326 WeakPolarHBondContact CD1-SD 3.32Å; F323-M326 HydrophobicContact CE1-SD 4.01Å; F323-M326 HydrophobicContact CG-CE 4.31Å; F323-M326 HydrophobicContact CG-SD 4.05Å; F323-M331 HydrophobicContact CD1-CG 4.09Å; F323-M331 HydrophobicContact CD1-SD 4.01Å; F323-M331 HydrophobicContact CE1-CG 4Å; F323-M331 HydrophobicContact CE1-SD 4.2Å; F323-L334 HydrophobicContact CE1-CD1 3.95Å; F323-L334 HydrophobicContact CZ-CD1 4.38Å; F323-I352 HydrophobicContact CE2-CD1 4.4Å; F323-I352 HydrophobicContact CZ-CD1 4.39Å; F323-I352 HydrophobicContact CZ-CG2 3.84Å; F323-I356 HydrophobicContact CE1-CD1 4.45Å |
| 324 | S | 93.8 | Very high | 95 | Very high | 18 Ų | 18 | 62.2 Ų | 62.2 | 13% | 0.126 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -15.7 | 176.5 | 35.1 | 0 | 0 | 0 | 0 | 114.4 | N295 T296 F297 A320 S321 | N295-S324 WeakPolarHBondContact CA-O 3.39Å; N295-S324 WeakPolarHBondContact OD1-CB 3.27Å; T296-S324 PolarHBondContact N-O 3.2Å; T296-S324 PolarHBondContact OG1-O 3.36Å; F297-S324 VanDerWaalsContact CE2-CB 3.48Å; F297-S324 VanDerWaalsContact CZ-N 3.29Å; A320-S324 PolarHBondContact O-N 2.98Å; S321-S324 WeakPolarHBondContact CA-OG 3.48Å; S321-S324 PolarHBondContact O-OG 2.91Å |
| 325 | Q | 89.3 | Confident | 94.9 | Very high | 155 Ų | 155 | 63.4 Ų | 63.4 | 72% | 0.724 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | -4.8 | -176.9 | -65.3 | -179 | -4.8 | 0 | 0 | 113.6 | F323 | F323-Q325 PolarHBondContact O-N 3.49Š|
| 326 | M | 91.7 | Very high | 94.8 | Very high | 18 Ų | 18 | 57.8 Ų | 57.8 | 9% | 0.089 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -103.4 | 156.6 | 178.3 | 71.1 | -175.6 | 53.2 | 0 | 0 | 111.5 | T296 M304 L322 F323 E330 M331 L334 | T296-M326 WeakPolarHBondContact CB-O 3.32Å; T296-M326 PolarHBondContact OG1-O 3.37Å; M304-M326 HydrophobicContact CE-CG 3.61Å; M304-M326 HydrophobicContact CE-SD 4.33Å; L322-M326 HydrophobicContact CG-CE 4.08Å; L322-M326 WeakPolarHBondContact O-CE 3.39Å; F323-M326 HydrophobicContact CB-SD 4.32Å; F323-M326 HydrophobicContact CD1-CE 4.13Å; F323-M326 HydrophobicContact CD1-SD 3.45Å; F323-M326 WeakPolarHBondContact CD1-SD 3.32Å; F323-M326 HydrophobicContact CE1-SD 4.01Å; F323-M326 HydrophobicContact CG-CE 4.31Å; F323-M326 HydrophobicContact CG-SD 4.05Å; M326-E330 HydrophobicContact CB-CB 4.15Å; M326-M331 HydrophobicContact CG-CB 4.43Å; M326-M331 HydrophobicContact SD-CB 3.73Å; M326-M331 HydrophobicContact SD-CG 4.19Å; M326-L334 HydrophobicContact CE-CD1 3.89Å; M326-L334 HydrophobicContact CE-CD2 4.41Å; M326-L334 HydrophobicContact SD-CD1 3.82Å |
| 327 | T | 94.3 | Very high | 94.7 | Very high | 56 Ų | 56 | 64.6 Ų | 64.6 | 34% | 0.344 | 33% | 0.325 | S | S | . | . | trans | -79 | 167 | 166 | 61.5 | 0 | 0 | 0 | 0 | 111.6 | E329 E330 M331 | T327-E329 VanDerWaalsContact C-N 3.29Å; T327-E330 VanDerWaalsContact CB-OE2 3.31Å; T327-E330 WeakPolarHBondContact CB-OE2 3.38Å; T327-E330 WeakPolarHBondContact CG2-OE2 3.47Å; T327-E330 PolarHBondContact N-OE2 3.16Å; T327-E330 PolarHBondContact O-N 3.47Å; T327-E330 WeakPolarHBondContact OG1-CB 3.48Å; T327-E330 VanDerWaalsContact OG1-CG 3.3Å; T327-E330 WeakPolarHBondContact OG1-CG 3.34Å; T327-E330 PolarHBondContact OG1-N 3.04Å; T327-E330 VanDerWaalsContact OG1-N 3.16Å; T327-E330 PolarHBondContact OG1-OE2 3.45Å; T327-M331 WeakPolarHBondContact O-CB 3.26Å; T327-M331 PolarHBondContact O-N 3.22Å | ||
| 328 | Y | 94.8 | Very high | 94.6 | Very high | 21 Ų | 21 | 65 Ų | 65 | 8% | 0.082 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.7 | -35.7 | 172.8 | 179.6 | -90.4 | 0 | 0 | 0 | 112 | S302 M304 M331 M332 R362 P393 K395 | S302-Y328 VanDerWaalsContact O-CB 3.26Å; S302-Y328 WeakPolarHBondContact O-CB 3.41Å; M304-Y328 VanDerWaalsContact SD-CA 3.52Å; M304-Y328 HydrophobicContact SD-CD2 4.42Å; Y328-M331 HydrophobicContact CD2-CE 3.56Å; Y328-M331 HydrophobicContact CE2-CE 3.84Å; Y328-M331 HydrophobicContact CG-CE 4.36Å; Y328-M331 WeakPolarHBondContact O-CB 3.38Å; Y328-M331 PolarHBondContact O-N 3.42Å; Y328-M332 HydrophobicContact CD1-CG 4.11Å; Y328-M332 HydrophobicContact CE1-CG 3.87Å; Y328-M332 HydrophobicContact CE1-SD 4.48Å; Y328-M332 WeakPolarHBondContact O-CB 3.38Å; Y328-M332 WeakPolarHBondContact O-CG 3.34Å; Y328-M332 PolarHBondContact O-N 3.01Å; Y328-R362 PolarHBondContact OH-NH2 3.25Å; Y328-P393 WeakPolarHBondContact CE2-O 3.44Å; Y328-K395 HydrophobicContact CD1-CB 3.73Å; Y328-K395 HydrophobicContact CD1-CD 3.65Å; Y328-K395 HydrophobicContact CD1-CG 4.3Å; Y328-K395 HydrophobicContact CD2-CB 4.11Å; Y328-K395 HydrophobicContact CE1-CB 3.65Å; Y328-K395 HydrophobicContact CE1-CD 4.28Å; Y328-K395 HydrophobicContact CE2-CB 4.05Å; Y328-K395 HydrophobicContact CG-CB 3.95Å; Y328-K395 HydrophobicContact CG-CD 4.01Å; Y328-K395 HydrophobicContact CG-CG 4.5Å |
| 329 | E | 94.2 | Very high | 94.6 | Very high | 92 Ų | 92 | 57.1 Ų | 57.1 | 43% | 0.43 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.5 | -49.4 | 174.8 | -76.2 | 59.2 | -142.2 | 0 | 0 | 111.5 | T327 M331 M332 I333 K395 | T327-E329 VanDerWaalsContact C-N 3.29Å; E329-M331 PolarHBondContact O-N 3.41Å; E329-M332 PolarHBondContact O-N 3.31Å; E329-I333 PolarHBondContact O-N 3.09Å; E329-K395 WeakPolarHBondContact OE1-CD 3.47Å; E329-K395 IonicContact OE1-NZ 2.64Å; E329-K395 PolarHBondContact OE1-NZ 3.3Å; E329-K395 IonicContact OE2-NZ 3.8Å; E329-K395 PolarHBondContact OE2-NZ 2.99Å |
| 330 | E | 95.2 | Very high | 94.5 | Very high | 98 Ų | 98 | 60.3 Ų | 60.3 | 46% | 0.458 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.9 | -43 | 175.4 | -72.2 | 163 | 122.5 | 0 | 0 | 111.8 | M326 T327 M332 I333 L334 | M326-E330 HydrophobicContact CB-CB 4.15Å; T327-E330 VanDerWaalsContact CB-OE2 3.31Å; T327-E330 WeakPolarHBondContact CB-OE2 3.38Å; T327-E330 WeakPolarHBondContact CG2-OE2 3.47Å; T327-E330 PolarHBondContact N-OE2 3.16Å; T327-E330 PolarHBondContact O-N 3.47Å; T327-E330 WeakPolarHBondContact OG1-CB 3.48Å; T327-E330 VanDerWaalsContact OG1-CG 3.3Å; T327-E330 WeakPolarHBondContact OG1-CG 3.34Å; T327-E330 PolarHBondContact OG1-N 3.04Å; T327-E330 VanDerWaalsContact OG1-N 3.16Å; T327-E330 PolarHBondContact OG1-OE2 3.45Å; E330-M332 VanDerWaalsContact C-N 3.26Å; E330-M332 PolarHBondContact O-N 3.01Å; E330-I333 VanDerWaalsContact O-CG1 3.25Å; E330-I333 WeakPolarHBondContact O-CG1 3.28Å; E330-I333 PolarHBondContact O-N 3.41Å; E330-L334 PolarHBondContact O-N 2.88Å |
| 331 | M | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -55.4 | -42.3 | 174.3 | -177.2 | -177.9 | 62.8 | 0 | 0 | 111.6 | M304 V307 W310 F323 M326 T327 Y328 E329 I333 L334 I356 L359 | M304-M331 HydrophobicContact CE-CB 4.46Å; M304-M331 HydrophobicContact CE-SD 4.25Å; M304-M331 HydrophobicContact SD-CB 4.32Å; M304-M331 HydrophobicContact SD-CE 4.01Å; M304-M331 HydrophobicContact SD-SD 4.09Å; V307-M331 HydrophobicContact CG1-SD 4.42Å; V307-M331 HydrophobicContact CG2-CE 4.17Å; V307-M331 HydrophobicContact CG2-SD 3.76Å; W310-M331 HydrophobicContact CZ3-SD 4.45Å; F323-M331 HydrophobicContact CD1-CG 4.09Å; F323-M331 HydrophobicContact CD1-SD 4.01Å; F323-M331 HydrophobicContact CE1-CG 4Å; F323-M331 HydrophobicContact CE1-SD 4.2Å; M326-M331 HydrophobicContact CG-CB 4.43Å; M326-M331 HydrophobicContact SD-CB 3.73Å; M326-M331 HydrophobicContact SD-CG 4.19Å; T327-M331 WeakPolarHBondContact O-CB 3.26Å; T327-M331 PolarHBondContact O-N 3.22Å; Y328-M331 HydrophobicContact CD2-CE 3.56Å; Y328-M331 HydrophobicContact CE2-CE 3.84Å; Y328-M331 HydrophobicContact CG-CE 4.36Å; Y328-M331 WeakPolarHBondContact O-CB 3.38Å; Y328-M331 PolarHBondContact O-N 3.42Å; E329-M331 PolarHBondContact O-N 3.41Å; M331-I333 VanDerWaalsContact C-N 3.25Å; M331-I333 PolarHBondContact O-N 3.16Å; M331-L334 HydrophobicContact CG-CD1 4.46Å; M331-L334 PolarHBondContact O-N 3.01Å; M331-I356 HydrophobicContact CG-CD1 4.28Å; M331-I356 WeakPolarHBondContact O-CG2 3.29Å; M331-L359 HydrophobicContact CE-CD1 3.94Å |
| 332 | M | 95.5 | Very high | 94.5 | Very high | 37 Ų | 37 | 64.5 Ų | 64.5 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -73 | -12.9 | -176.3 | -70.3 | -74.4 | -78.6 | 0 | 0 | 114 | Y328 E329 E330 L359 R360 | Y328-M332 HydrophobicContact CD1-CG 4.11Å; Y328-M332 HydrophobicContact CE1-CG 3.87Å; Y328-M332 HydrophobicContact CE1-SD 4.48Å; Y328-M332 WeakPolarHBondContact O-CB 3.38Å; Y328-M332 WeakPolarHBondContact O-CG 3.34Å; Y328-M332 PolarHBondContact O-N 3.01Å; E329-M332 PolarHBondContact O-N 3.31Å; E330-M332 VanDerWaalsContact C-N 3.26Å; E330-M332 PolarHBondContact O-N 3.01Å; M332-L359 HydrophobicContact CE-CB 4.38Å; M332-L359 HydrophobicContact SD-CB 3.71Å; M332-L359 HydrophobicContact SD-CD1 4.26Å; M332-R360 HydrophobicContact CE-CG 3.85Å; M332-R360 PolarHBondContact O-NH1 3.05Å; M332-R360 HydrophobicContact SD-CG 4.46Å |
| 333 | I | 95.9 | Very high | 94.5 | Very high | 122 Ų | 122 | 69.8 Ų | 69.8 | 63% | 0.626 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -107.1 | -2 | 175.2 | 64.4 | 171.1 | 0 | 0 | 0 | 114.4 | E329 E330 M331 | E329-I333 PolarHBondContact O-N 3.09Å; E330-I333 VanDerWaalsContact O-CG1 3.25Å; E330-I333 WeakPolarHBondContact O-CG1 3.28Å; E330-I333 PolarHBondContact O-N 3.41Å; M331-I333 VanDerWaalsContact C-N 3.25Å; M331-I333 PolarHBondContact O-N 3.16Å |
| 334 | L | 94.4 | Very high | 94.6 | Very high | 25 Ų | 25 | 70.1 Ų | 70.1 | 13% | 0.131 | 36% | 0.355 | C | S | . | . | trans | -52.5 | 140.6 | 178.9 | -79.1 | 173 | 0 | 0 | 0 | 113.4 | F323 M326 E330 M331 H338 L339 I356 | F323-L334 HydrophobicContact CE1-CD1 3.95Å; F323-L334 HydrophobicContact CZ-CD1 4.38Å; M326-L334 HydrophobicContact CE-CD1 3.89Å; M326-L334 HydrophobicContact CE-CD2 4.41Å; M326-L334 HydrophobicContact SD-CD1 3.82Å; E330-L334 PolarHBondContact O-N 2.88Å; M331-L334 HydrophobicContact CG-CD1 4.46Å; M331-L334 PolarHBondContact O-N 3.01Å; L334-H338 HydrophobicContact CD2-CB 4.09Å; L334-L339 HydrophobicContact CD1-CD2 4.39Å; L334-L339 HydrophobicContact CD2-CD2 4.47Å; L334-I356 HydrophobicContact CB-CD1 3.89Å; L334-I356 HydrophobicContact CD1-CD1 3.7Å; L334-I356 HydrophobicContact CG-CD1 4.42Å | ||
| 335 | T | 94.4 | Very high | 94.8 | Very high | 60 Ų | 60 | 73 Ų | 73 | 37% | 0.368 | 37% | 0.372 | S | S | . | . | trans | -122.3 | 163.2 | 174.9 | 72.5 | 0 | 0 | 0 | 0 | 110.9 | Q337 H338 L339 | T335-Q337 PolarHBondContact O-N 3.34Å; T335-H338 PolarHBondContact O-N 3.29Å; T335-H338 PolarHBondContact OG1-ND1 3.17Å; T335-L339 PolarHBondContact O-N 3.29Å | ||
| 336 | E | 95.1 | Very high | 95.1 | Very high | 60 Ų | 60 | 73.3 Ų | 73.3 | 28% | 0.28 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -56.8 | -32.6 | 176.4 | -77.9 | -161.8 | -142 | 0 | 0 | 113.3 | L339 E340 R349 H350 A353 | E336-L339 PolarHBondContact O-N 3.05Å; E336-E340 WeakPolarHBondContact O-CB 3.42Å; E336-E340 PolarHBondContact O-N 3.14Å; E336-R349 HydrophobicContact CB-CG 4.39Å; E336-R349 HydrophobicContact CG-CB 4.47Å; E336-R349 HydrophobicContact CG-CG 4.17Å; E336-R349 WeakPolarHBondContact OE2-CG 3.44Å; E336-R349 IonicContact OE2-CZ 3.22Å; E336-R349 IonicContact OE2-NE 3.24Å; E336-R349 PolarHBondContact OE2-NE 2.84Å; E336-H350 WeakPolarHBondContact OE1-CA 3.31Å; E336-H350 WeakPolarHBondContact OE1-CB 3.48Å; E336-H350 IonicContact OE1-CE1 2.93Å; E336-H350 IonicContact OE1-CG 3.33Å; E336-H350 IonicContact OE1-ND1 2.84Å; E336-H350 PolarHBondContact OE1-ND1 3.02Å; E336-A353 HydrophobicContact CG-CB 3.83Å |
| 337 | Q | 95.3 | Very high | 95.3 | Very high | 150 Ų | 150 | 75.3 Ų | 75.3 | 70% | 0.701 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -66.9 | -39.2 | 179 | -172.2 | 179.7 | -1.4 | 0 | 0 | 112.4 | T335 L339 E340 S341 | T335-Q337 PolarHBondContact O-N 3.34Å; Q337-L339 PolarHBondContact O-N 2.96Å; Q337-E340 PolarHBondContact O-N 3.48Å; Q337-S341 PolarHBondContact O-N 2.98Å; Q337-S341 VanDerWaalsContact O-N 3.11Å; Q337-S341 PolarHBondContact O-OG 3.46Å |
| 338 | H | 93.7 | Very high | 95.4 | Very high | 110 Ų | 110 | 73.1 Ų | 73.1 | 51% | 0.509 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.3 | -25.5 | 174 | -71.1 | 93.9 | 0 | 0 | 0 | 112.6 | L334 T335 S341 Q342 | L334-H338 HydrophobicContact CD2-CB 4.09Å; T335-H338 PolarHBondContact O-N 3.29Å; T335-H338 PolarHBondContact OG1-ND1 3.17Å; H338-S341 PolarHBondContact O-OG 2.84Å; H338-Q342 WeakPolarHBondContact O-CG 3.34Å |
| 339 | L | 96.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -84.9 | -32.6 | 175.8 | -61.8 | 171 | 0 | 0 | 0 | 111.3 | L322 L334 T335 E336 Q337 Q342 N343 V344 R349 I352 | L322-L339 HydrophobicContact CD2-CD2 3.79Å; L334-L339 HydrophobicContact CD1-CD2 4.39Å; L334-L339 HydrophobicContact CD2-CD2 4.47Å; T335-L339 PolarHBondContact O-N 3.29Å; E336-L339 PolarHBondContact O-N 3.05Å; Q337-L339 PolarHBondContact O-N 2.96Å; L339-Q342 CarbonylContact O-C 3.42Å; L339-Q342 PolarHBondContact O-N 3.02Å; L339-N343 PolarHBondContact O-N 3.2Å; L339-V344 HydrophobicContact CB-CB 4.02Å; L339-V344 HydrophobicContact CB-CG1 4.46Å; L339-V344 HydrophobicContact CB-CG2 4.08Å; L339-V344 HydrophobicContact CD2-CG2 4.3Å; L339-V344 WeakPolarHBondContact O-CB 3.37Å; L339-V344 VanDerWaalsContact O-CG2 3.29Å; L339-V344 WeakPolarHBondContact O-CG2 3.42Å; L339-V344 PolarHBondContact O-N 3.33Å; L339-R349 HydrophobicContact CB-CB 3.65Å; L339-R349 HydrophobicContact CD1-CB 4Å; L339-I352 HydrophobicContact CD1-CB 3.78Å; L339-I352 HydrophobicContact CD1-CD1 4.42Å; L339-I352 HydrophobicContact CD1-CG2 3.49Å; L339-I352 VanDerWaalsContact CD1-CG2 3.49Å; L339-I352 HydrophobicContact CD2-CG2 4.29Å |
| 340 | E | 96.2 | Very high | 95.7 | Very high | 99 Ų | 99 | 74 Ų | 74 | 46% | 0.463 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.8 | -43.7 | 174.7 | 179.6 | 153.6 | -133.8 | 0 | 0 | 112.1 | E336 Q337 Q342 N343 R349 | E336-E340 WeakPolarHBondContact O-CB 3.42Å; E336-E340 PolarHBondContact O-N 3.14Å; Q337-E340 PolarHBondContact O-N 3.48Å; E340-Q342 PolarHBondContact O-N 2.83Å; E340-N343 PolarHBondContact O-N 3.08Å; E340-R349 VanDerWaalsContact CD-CZ 3.41Å; E340-R349 VanDerWaalsContact CD-NH2 3.33Å; E340-R349 IonicContact OE1-CZ 3.64Å; E340-R349 IonicContact OE1-NH1 2.67Å; E340-R349 PolarHBondContact OE1-NH1 3.25Å; E340-R349 IonicContact OE1-NH2 3.52Å; E340-R349 PolarHBondContact OE1-NH2 3.16Å; E340-R349 IonicContact OE2-CZ 3.5Å; E340-R349 VanDerWaalsContact OE2-CZ 3.24Å; E340-R349 IonicContact OE2-NH1 3.33Å; E340-R349 PolarHBondContact OE2-NH1 3.06Å; E340-R349 IonicContact OE2-NH2 3.91Å; E340-R349 PolarHBondContact OE2-NH2 3.39Å |
| 341 | S | 95.2 | Very high | 95.9 | Very high | 82 Ų | 82 | 73.6 Ų | 73.6 | 57% | 0.573 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -23.4 | 172.6 | 60.5 | 0 | 0 | 0 | 0 | 113.5 | Q337 H338 N343 | Q337-S341 PolarHBondContact O-N 2.98Å; Q337-S341 VanDerWaalsContact O-N 3.11Å; Q337-S341 PolarHBondContact O-OG 3.46Å; H338-S341 PolarHBondContact O-OG 2.84Å; S341-N343 VanDerWaalsContact C-N 3.29Å; S341-N343 PolarHBondContact O-N 2.97Å |
| 342 | Q | 93.1 | Very high | 95.9 | Very high | 114 Ų | 114 | 73.6 Ų | 73.6 | 53% | 0.533 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 19.6 | 174.6 | -63 | -66.9 | -20.5 | 0 | 0 | 112.9 | L322 H338 L339 E340 V344 | L322-Q342 HydrophobicContact CD1-CB 4.07Å; L322-Q342 HydrophobicContact CD1-CG 3.82Å; L322-Q342 HydrophobicContact CD2-CB 4.08Å; L322-Q342 HydrophobicContact CD2-CG 4.47Å; H338-Q342 WeakPolarHBondContact O-CG 3.34Å; L339-Q342 CarbonylContact O-C 3.42Å; L339-Q342 PolarHBondContact O-N 3.02Å; E340-Q342 PolarHBondContact O-N 2.83Å; Q342-V344 HydrophobicContact CB-CG2 4.42Å; Q342-V344 PolarHBondContact O-N 3.48Å; Q342-V344 VanDerWaalsContact O-N 3.14Å |
| 343 | N | 95.1 | Very high | 96 | Very high | 148 Ų | 148 | 72.9 Ų | 72.9 | 79% | 0.791 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 25.2 | 176.9 | -64.5 | -84.6 | 0 | 0 | 0 | 114.8 | L339 E340 S341 | L339-N343 PolarHBondContact O-N 3.2Å; E340-N343 PolarHBondContact O-N 3.08Å; S341-N343 VanDerWaalsContact C-N 3.29Å; S341-N343 PolarHBondContact O-N 2.97Å |
| 344 | V | 96.7 | Very high | 96.1 | Very high | 7 Ų | 7 | 71.6 Ų | 71.6 | 4% | 0.042 | 38% | 0.377 | C | S | . | . | trans | -74.6 | 128.8 | 175.8 | -178.6 | 0 | 0 | 0 | 0 | 109.9 | Y319 L322 L339 Q342 A348 R349 I352 | Y319-V344 HydrophobicContact CD1-CB 4.48Å; Y319-V344 HydrophobicContact CD1-CG1 4.15Å; Y319-V344 HydrophobicContact CD1-CG2 3.94Å; Y319-V344 HydrophobicContact CE1-CB 4.21Å; Y319-V344 HydrophobicContact CE1-CG1 3.86Å; Y319-V344 HydrophobicContact CE1-CG2 4.14Å; Y319-V344 HydrophobicContact CE2-CG1 4.32Å; Y319-V344 HydrophobicContact CG-CG1 4.5Å; L322-V344 HydrophobicContact CD2-CG2 4.08Å; L339-V344 HydrophobicContact CB-CB 4.02Å; L339-V344 HydrophobicContact CB-CG1 4.46Å; L339-V344 HydrophobicContact CB-CG2 4.08Å; L339-V344 HydrophobicContact CD2-CG2 4.3Å; L339-V344 WeakPolarHBondContact O-CB 3.37Å; L339-V344 VanDerWaalsContact O-CG2 3.29Å; L339-V344 WeakPolarHBondContact O-CG2 3.42Å; L339-V344 PolarHBondContact O-N 3.33Å; Q342-V344 HydrophobicContact CB-CG2 4.42Å; Q342-V344 PolarHBondContact O-N 3.48Å; Q342-V344 VanDerWaalsContact O-N 3.14Å; V344-A348 HydrophobicContact CG1-CB 3.75Å; V344-R349 HydrophobicContact CB-CB 4.26Å; V344-R349 HydrophobicContact CG1-CB 3.88Å; V344-I352 HydrophobicContact CG1-CD1 4.02Å | ||
| 345 | T | 97.3 | Very high | 96.2 | Very high | 78 Ų | 78 | 71.1 Ų | 71.1 | 48% | 0.479 | 38% | 0.376 | S | S | . | . | trans | -62 | 147.3 | -175.6 | 65.8 | 0 | 0 | 0 | 0 | 112.4 | Y319 G347 A348 R349 | Y319-T345 PolarHBondContact OH-OG1 2.81Å; Y319-T345 VanDerWaalsContact OH-OG1 3.1Å; T345-G347 VanDerWaalsContact C-N 3.3Å; T345-G347 PolarHBondContact O-N 2.92Å; T345-G347 VanDerWaalsContact O-N 3.13Å; T345-A348 WeakPolarHBondContact O-CA 3.45Å; T345-A348 WeakPolarHBondContact O-CB 3.29Å; T345-A348 PolarHBondContact O-N 3.12Å; T345-A348 WeakPolarHBondContact OG1-CB 3.49Å; T345-R349 PolarHBondContact O-N 2.86Å | ||
| 346 | K | 95.6 | Very high | 96.4 | Very high | 163 Ų | 163 | 68.3 Ų | 68.3 | 71% | 0.709 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -48.1 | -44.6 | -174.3 | -172.9 | 175.6 | 179.8 | 177.3 | 0 | 114.2 | R349 H350 | K346-R349 WeakPolarHBondContact O-CG 3.25Å; K346-H350 PolarHBondContact O-N 2.67Å |
| 347 | G | 96.4 | Very high | 96.4 | Very high | 60 Ų | 60 | 68.8 Ų | 68.8 | 62% | 0.619 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -71 | -30 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | T345 K351 | T345-G347 VanDerWaalsContact C-N 3.3Å; T345-G347 PolarHBondContact O-N 2.92Å; T345-G347 VanDerWaalsContact O-N 3.13Å; G347-K351 WeakPolarHBondContact O-CB 3.39Å; G347-K351 PolarHBondContact O-N 2.82Å |
| 348 | A | 97.8 | Very high | 96.5 | Very high | 9 Ų | 9 | 68.7 Ų | 68.7 | 7% | 0.074 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -78.8 | -42.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L316 Y319 V344 T345 H350 K351 I352 | L316-A348 HydrophobicContact CD2-CB 3.97Å; Y319-A348 HydrophobicContact CD2-CB 4.23Å; Y319-A348 HydrophobicContact CE2-CB 3.33Å; V344-A348 HydrophobicContact CG1-CB 3.75Å; T345-A348 WeakPolarHBondContact O-CA 3.45Å; T345-A348 WeakPolarHBondContact O-CB 3.29Å; T345-A348 PolarHBondContact O-N 3.12Å; T345-A348 WeakPolarHBondContact OG1-CB 3.49Å; A348-H350 VanDerWaalsContact C-N 3.34Å; A348-H350 PolarHBondContact O-N 2.76Å; A348-K351 PolarHBondContact O-N 3.32Å; A348-I352 VanDerWaalsContact O-CG1 3.31Å; A348-I352 WeakPolarHBondContact O-CG1 3.39Å; A348-I352 PolarHBondContact O-N 3.37Å |
| 349 | R | 97.4 | Very high | 96.7 | Very high | 36 Ų | 36 | 63.5 Ų | 63.5 | 14% | 0.136 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 179.5 | 68 | 178.7 | -161.6 | -149.6 | 30.8 | 111.8 | E336 L339 E340 V344 T345 K346 K351 I352 A353 | E336-R349 HydrophobicContact CB-CG 4.39Å; E336-R349 HydrophobicContact CG-CB 4.47Å; E336-R349 HydrophobicContact CG-CG 4.17Å; E336-R349 WeakPolarHBondContact OE2-CG 3.44Å; E336-R349 IonicContact OE2-CZ 3.22Å; E336-R349 IonicContact OE2-NE 3.24Å; E336-R349 PolarHBondContact OE2-NE 2.84Å; L339-R349 HydrophobicContact CB-CB 3.65Å; L339-R349 HydrophobicContact CD1-CB 4Å; E340-R349 VanDerWaalsContact CD-CZ 3.41Å; E340-R349 VanDerWaalsContact CD-NH2 3.33Å; E340-R349 IonicContact OE1-CZ 3.64Å; E340-R349 IonicContact OE1-NH1 2.67Å; E340-R349 PolarHBondContact OE1-NH1 3.25Å; E340-R349 IonicContact OE1-NH2 3.52Å; E340-R349 PolarHBondContact OE1-NH2 3.16Å; E340-R349 IonicContact OE2-CZ 3.5Å; E340-R349 VanDerWaalsContact OE2-CZ 3.24Å; E340-R349 IonicContact OE2-NH1 3.33Å; E340-R349 PolarHBondContact OE2-NH1 3.06Å; E340-R349 IonicContact OE2-NH2 3.91Å; E340-R349 PolarHBondContact OE2-NH2 3.39Å; V344-R349 HydrophobicContact CB-CB 4.26Å; V344-R349 HydrophobicContact CG1-CB 3.88Å; T345-R349 PolarHBondContact O-N 2.86Å; K346-R349 WeakPolarHBondContact O-CG 3.25Å; R349-K351 PolarHBondContact O-N 2.95Å; R349-I352 PolarHBondContact O-N 3.39Å; R349-A353 WeakPolarHBondContact O-CB 3.28Å; R349-A353 PolarHBondContact O-N 2.98Å |
| 350 | H | 97.7 | Very high | 96.6 | Very high | 95 Ų | 95 | 68.7 Ų | 68.7 | 44% | 0.44 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 175.8 | -174.2 | 64.9 | 0 | 0 | 0 | 111.3 | E336 K346 A348 I352 A353 L354 | E336-H350 WeakPolarHBondContact OE1-CA 3.31Å; E336-H350 WeakPolarHBondContact OE1-CB 3.48Å; E336-H350 IonicContact OE1-CE1 2.93Å; E336-H350 IonicContact OE1-CG 3.33Å; E336-H350 IonicContact OE1-ND1 2.84Å; E336-H350 PolarHBondContact OE1-ND1 3.02Å; K346-H350 PolarHBondContact O-N 2.67Å; A348-H350 VanDerWaalsContact C-N 3.34Å; A348-H350 PolarHBondContact O-N 2.76Å; H350-I352 PolarHBondContact O-N 2.91Å; H350-A353 PolarHBondContact O-N 3.42Å; H350-L354 WeakPolarHBondContact NE2-CD1 3.48Å; H350-L354 WeakPolarHBondContact O-CB 3.42Å; H350-L354 WeakPolarHBondContact O-CG 3.46Å; H350-L354 PolarHBondContact O-N 3.39Å |
| 351 | K | 97.8 | Very high | 96.6 | Very high | 90 Ų | 90 | 66.6 Ų | 66.6 | 39% | 0.391 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.6 | -38.2 | 176.7 | -165.7 | -179 | -175 | -177 | 0 | 112.7 | L314 L316 G347 A348 R349 S355 | L314-K351 WeakPolarHBondContact O-CE 3.16Å; L314-K351 PolarHBondContact O-NZ 3.19Å; L316-K351 HydrophobicContact CD1-CB 4.35Å; L316-K351 HydrophobicContact CD1-CD 4.08Å; L316-K351 HydrophobicContact CD1-CG 4.05Å; L316-K351 HydrophobicContact CD2-CD 4.29Å; L316-K351 HydrophobicContact CG-CD 4.23Å; G347-K351 WeakPolarHBondContact O-CB 3.39Å; G347-K351 PolarHBondContact O-N 2.82Å; A348-K351 PolarHBondContact O-N 3.32Å; R349-K351 PolarHBondContact O-N 2.95Å; K351-S355 VanDerWaalsContact O-CB 3.3Å; K351-S355 WeakPolarHBondContact O-CB 3.38Å; K351-S355 PolarHBondContact O-N 3.5Å; K351-S355 PolarHBondContact O-OG 3.32Å |
| 352 | I | 97.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.4 | -52.3 | 173.8 | -71.4 | 165.9 | 0 | 0 | 0 | 109.6 | L316 Y319 F323 L339 V344 A348 R349 H350 L354 S355 I356 | L316-I352 HydrophobicContact CD1-CG1 3.68Å; L316-I352 HydrophobicContact CD2-CG1 4.18Å; L316-I352 HydrophobicContact CG-CG1 4.43Å; Y319-I352 HydrophobicContact CD2-CD1 4.28Å; Y319-I352 HydrophobicContact CG-CD1 4.44Å; F323-I352 HydrophobicContact CE2-CD1 4.4Å; F323-I352 HydrophobicContact CZ-CD1 4.39Å; F323-I352 HydrophobicContact CZ-CG2 3.84Å; L339-I352 HydrophobicContact CD1-CB 3.78Å; L339-I352 HydrophobicContact CD1-CD1 4.42Å; L339-I352 HydrophobicContact CD1-CG2 3.49Å; L339-I352 VanDerWaalsContact CD1-CG2 3.49Å; L339-I352 HydrophobicContact CD2-CG2 4.29Å; V344-I352 HydrophobicContact CG1-CD1 4.02Å; A348-I352 VanDerWaalsContact O-CG1 3.31Å; A348-I352 WeakPolarHBondContact O-CG1 3.39Å; A348-I352 PolarHBondContact O-N 3.37Å; R349-I352 PolarHBondContact O-N 3.39Å; H350-I352 PolarHBondContact O-N 2.91Å; I352-L354 PolarHBondContact O-N 2.87Å; I352-S355 CarbonylContact O-C 3.6Å; I352-S355 WeakPolarHBondContact O-CA 3.29Å; I352-S355 WeakPolarHBondContact O-CB 3.48Å; I352-S355 PolarHBondContact O-N 3.25Å; I352-I356 HydrophobicContact CG2-CD1 3.55Å; I352-I356 HydrophobicContact CG2-CG1 4.34Å; I352-I356 WeakPolarHBondContact O-CG1 3.31Å; I352-I356 PolarHBondContact O-N 2.85Å |
| 353 | A | 97.2 | Very high | 96.8 | Very high | 22 Ų | 22 | 58.4 Ų | 58.4 | 18% | 0.182 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.9 | -45.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E336 R349 H350 S355 I356 Q357 | E336-A353 HydrophobicContact CG-CB 3.83Å; R349-A353 WeakPolarHBondContact O-CB 3.28Å; R349-A353 PolarHBondContact O-N 2.98Å; H350-A353 PolarHBondContact O-N 3.42Å; A353-S355 VanDerWaalsContact C-N 3.31Å; A353-S355 PolarHBondContact O-N 3.05Å; A353-I356 PolarHBondContact O-N 2.75Å; A353-Q357 WeakPolarHBondContact O-CB 3.44Å; A353-Q357 PolarHBondContact O-N 2.69Å |
| 354 | L | 97 | Very high | 96.8 | Very high | 94 Ų | 94 | 54.9 Ų | 54.9 | 49% | 0.492 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.9 | -34.7 | 173.2 | -73.1 | -179.6 | 0 | 0 | 0 | 113.2 | H350 I352 K358 | H350-L354 WeakPolarHBondContact NE2-CD1 3.48Å; H350-L354 WeakPolarHBondContact O-CB 3.42Å; H350-L354 WeakPolarHBondContact O-CG 3.46Å; H350-L354 PolarHBondContact O-N 3.39Å; I352-L354 PolarHBondContact O-N 2.87Å; L354-K358 WeakPolarHBondContact O-CG 3.36Å; L354-K358 PolarHBondContact O-N 3.18Å; L354-K358 VanDerWaalsContact O-N 3.16Å |
| 355 | S | 97.8 | Very high | 96.8 | Very high | 15 Ų | 15 | 57.3 Ų | 57.3 | 11% | 0.105 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -72.1 | -37 | 178.2 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | K351 I352 A353 K358 L359 | K351-S355 VanDerWaalsContact O-CB 3.3Å; K351-S355 WeakPolarHBondContact O-CB 3.38Å; K351-S355 PolarHBondContact O-N 3.5Å; K351-S355 PolarHBondContact O-OG 3.32Å; I352-S355 CarbonylContact O-C 3.6Å; I352-S355 WeakPolarHBondContact O-CA 3.29Å; I352-S355 WeakPolarHBondContact O-CB 3.48Å; I352-S355 PolarHBondContact O-N 3.25Å; A353-S355 VanDerWaalsContact C-N 3.31Å; A353-S355 PolarHBondContact O-N 3.05Å; S355-K358 PolarHBondContact O-N 3.17Å; S355-L359 WeakPolarHBondContact O-CG 3.43Å; S355-L359 PolarHBondContact O-N 3.44Å; S355-L359 VanDerWaalsContact O-N 3.15Å |
| 356 | I | 97.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71.6 | -37.5 | 174.9 | -67 | 169.9 | 0 | 0 | 0 | 111.1 | W310 F323 M331 L334 I352 A353 K358 L359 R360 | W310-I356 HydrophobicContact CH2-CG1 4.17Å; F323-I356 HydrophobicContact CE1-CD1 4.45Å; M331-I356 HydrophobicContact CG-CD1 4.28Å; M331-I356 WeakPolarHBondContact O-CG2 3.29Å; L334-I356 HydrophobicContact CB-CD1 3.89Å; L334-I356 HydrophobicContact CD1-CD1 3.7Å; L334-I356 HydrophobicContact CG-CD1 4.42Å; I352-I356 HydrophobicContact CG2-CD1 3.55Å; I352-I356 HydrophobicContact CG2-CG1 4.34Å; I352-I356 WeakPolarHBondContact O-CG1 3.31Å; I352-I356 PolarHBondContact O-N 2.85Å; A353-I356 PolarHBondContact O-N 2.75Å; I356-K358 VanDerWaalsContact C-N 3.31Å; I356-K358 PolarHBondContact O-N 3.46Å; I356-L359 WeakPolarHBondContact O-CA 3.31Å; I356-L359 VanDerWaalsContact O-CB 3.3Å; I356-L359 WeakPolarHBondContact O-CB 3.43Å; I356-L359 PolarHBondContact O-N 3.47Å; I356-R360 PolarHBondContact O-N 3.24Å; I356-R360 VanDerWaalsContact O-N 3.13Å |
| 357 | Q | 97.1 | Very high | 96.8 | Very high | 70 Ų | 70 | 50 Ų | 50 | 33% | 0.327 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -56.4 | -48.1 | 170.7 | -177.8 | 55.1 | 45.5 | 0 | 0 | 110.6 | A353 L359 R360 D361 | A353-Q357 WeakPolarHBondContact O-CB 3.44Å; A353-Q357 PolarHBondContact O-N 2.69Å; Q357-L359 PolarHBondContact O-N 2.97Å; Q357-R360 WeakPolarHBondContact O-CA 3.37Å; Q357-R360 WeakPolarHBondContact O-CB 3.22Å; Q357-R360 PolarHBondContact O-N 3.49Å; Q357-D361 PolarHBondContact NE2-OD1 2.79Å; Q357-D361 PolarHBondContact NE2-OD2 2.88Å; Q357-D361 VanDerWaalsContact O-CG 3.25Å; Q357-D361 PolarHBondContact O-N 2.87Å; Q357-D361 VanDerWaalsContact O-OD2 3.1Å |
| 358 | K | 96.5 | Very high | 96.8 | Very high | 148 Ų | 148 | 50.9 Ų | 50.9 | 64% | 0.643 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -59.1 | -28.9 | 173.2 | -70.3 | -178.1 | -179.8 | -164.1 | 0 | 113.6 | L354 S355 I356 R360 R362 | L354-K358 WeakPolarHBondContact O-CG 3.36Å; L354-K358 PolarHBondContact O-N 3.18Å; L354-K358 VanDerWaalsContact O-N 3.16Å; S355-K358 PolarHBondContact O-N 3.17Å; I356-K358 VanDerWaalsContact C-N 3.31Å; I356-K358 PolarHBondContact O-N 3.46Å; K358-R360 VanDerWaalsContact C-N 3.35Å; K358-R362 WeakPolarHBondContact O-CG 3.43Å; K358-R362 PolarHBondContact O-N 3.49Å |
| 359 | L | 97.1 | Very high | 96.7 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.6 | -31.6 | 172.4 | -61.7 | -168 | 0 | 0 | 0 | 112.8 | W310 M331 M332 S355 I356 Q357 R362 T392 | W310-L359 HydrophobicContact CH2-CD1 3.66Å; W310-L359 HydrophobicContact CH2-CD2 4.43Å; W310-L359 HydrophobicContact CH2-CG 4.04Å; W310-L359 HydrophobicContact CZ2-CD1 3.8Å; W310-L359 HydrophobicContact CZ2-CD2 3.71Å; W310-L359 HydrophobicContact CZ2-CG 3.76Å; W310-L359 HydrophobicContact CZ3-CD1 4.27Å; M331-L359 HydrophobicContact CE-CD1 3.94Å; M332-L359 HydrophobicContact CE-CB 4.38Å; M332-L359 HydrophobicContact SD-CB 3.71Å; M332-L359 HydrophobicContact SD-CD1 4.26Å; S355-L359 WeakPolarHBondContact O-CG 3.43Å; S355-L359 PolarHBondContact O-N 3.44Å; S355-L359 VanDerWaalsContact O-N 3.15Å; I356-L359 WeakPolarHBondContact O-CA 3.31Å; I356-L359 VanDerWaalsContact O-CB 3.3Å; I356-L359 WeakPolarHBondContact O-CB 3.43Å; I356-L359 PolarHBondContact O-N 3.47Å; Q357-L359 PolarHBondContact O-N 2.97Å; L359-R362 PolarHBondContact O-NE 2.8Å; L359-R362 PolarHBondContact O-NH2 2.75Å; L359-R362 VanDerWaalsContact O-NH2 3.09Å; L359-T392 HydrophobicContact CD2-CG2 3.77Å |
| 360 | R | 95.7 | Very high | 96.5 | Very high | 108 Ų | 108 | 51 Ų | 51 | 41% | 0.408 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -72.5 | -42.2 | 173.4 | -61.4 | -168.1 | -77.7 | -132.1 | 9.7 | 111.2 | M332 I356 Q357 K358 R362 | M332-R360 HydrophobicContact CE-CG 3.85Å; M332-R360 PolarHBondContact O-NH1 3.05Å; M332-R360 HydrophobicContact SD-CG 4.46Å; I356-R360 PolarHBondContact O-N 3.24Å; I356-R360 VanDerWaalsContact O-N 3.13Å; Q357-R360 WeakPolarHBondContact O-CA 3.37Å; Q357-R360 WeakPolarHBondContact O-CB 3.22Å; Q357-R360 PolarHBondContact O-N 3.49Å; K358-R360 VanDerWaalsContact C-N 3.35Å; R360-R362 PolarHBondContact O-N 3.12Å |
| 361 | D | 95.9 | Very high | 96.3 | Very high | 56 Ų | 56 | 52.3 Ų | 52.3 | 30% | 0.299 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -69 | -14.5 | -176.4 | -55.4 | -34.6 | 0 | 0 | 0 | 114.2 | Q357 Q363 S364 I365 | Q357-D361 PolarHBondContact NE2-OD1 2.79Å; Q357-D361 PolarHBondContact NE2-OD2 2.88Å; Q357-D361 VanDerWaalsContact O-CG 3.25Å; Q357-D361 PolarHBondContact O-N 2.87Å; Q357-D361 VanDerWaalsContact O-OD2 3.1Å; D361-Q363 VanDerWaalsContact C-N 3.25Å; D361-Q363 PolarHBondContact O-N 3.46Å; D361-Q363 VanDerWaalsContact O-N 3.14Å; D361-S364 PolarHBondContact O-N 3.33Å; D361-S364 PolarHBondContact O-OG 3.43Å; D361-I365 HydrophobicContact CB-CD1 4.02Å; D361-I365 VanDerWaalsContact O-CG1 3.31Å; D361-I365 WeakPolarHBondContact O-CG1 3.41Å; D361-I365 PolarHBondContact O-N 2.76Å |
| 362 | R | 96.8 | Very high | 96 | Very high | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.015 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -51.5 | -39.8 | -179.1 | -72.6 | 177 | -63.1 | 178.3 | 2.9 | 113.7 | Y328 K358 L359 R360 I365 L366 I389 T392 P393 I452 | Y328-R362 PolarHBondContact OH-NH2 3.25Å; K358-R362 WeakPolarHBondContact O-CG 3.43Å; K358-R362 PolarHBondContact O-N 3.49Å; L359-R362 PolarHBondContact O-NE 2.8Å; L359-R362 PolarHBondContact O-NH2 2.75Å; L359-R362 VanDerWaalsContact O-NH2 3.09Å; R360-R362 PolarHBondContact O-N 3.12Å; R362-I365 PolarHBondContact O-N 3.45Å; R362-L366 WeakPolarHBondContact O-CB 3.22Å; R362-L366 VanDerWaalsContact O-CG 3.23Å; R362-L366 WeakPolarHBondContact O-CG 3.19Å; R362-L366 PolarHBondContact O-N 3.4Å; R362-I389 HydrophobicContact CG-CG1 4.25Å; R362-I389 HydrophobicContact CG-CG2 4.34Å; R362-T392 WeakPolarHBondContact CD-OG1 3.47Å; R362-T392 PolarHBondContact NH1-OG1 2.95Å; R362-P393 PolarHBondContact NH1-O 3.06Å; R362-I452 HydrophobicContact CB-CD1 4.04Å |
| 363 | Q | 94.9 | Very high | 95.7 | Very high | 19 Ų | 19 | 51 Ų | 51 | 9% | 0.089 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.9 | -38.9 | -176.5 | -173 | 68.8 | -14.3 | 0 | 0 | 112.2 | D361 K367 D449 I452 | D361-Q363 VanDerWaalsContact C-N 3.25Å; D361-Q363 PolarHBondContact O-N 3.46Å; D361-Q363 VanDerWaalsContact O-N 3.14Å; Q363-K367 WeakPolarHBondContact O-CG 3.44Å; Q363-K367 PolarHBondContact O-N 3.18Å; Q363-K367 VanDerWaalsContact O-N 3.08Å; Q363-D449 PolarHBondContact NE2-OD1 3.21Å; Q363-I452 HydrophobicContact CB-CD1 3.92Å |
| 364 | S | 96.1 | Very high | 95.1 | Very high | 74 Ų | 74 | 54.9 Ų | 54.9 | 52% | 0.517 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -72.8 | -38 | 175.6 | 56 | 0 | 0 | 0 | 0 | 111.5 | D361 K367 S368 | D361-S364 PolarHBondContact O-N 3.33Å; D361-S364 PolarHBondContact O-OG 3.43Å; S364-K367 PolarHBondContact O-N 3.35Å; S364-S368 WeakPolarHBondContact O-CB 3.13Å; S364-S368 PolarHBondContact O-N 2.94Å |
| 365 | I | 96.5 | Very high | 94.7 | Very high | 58 Ų | 58 | 55.3 Ų | 55.3 | 30% | 0.297 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.9 | -50.2 | 172.5 | -65.1 | 164.7 | 0 | 0 | 0 | 110.4 | D361 R362 K367 S368 L369 I389 | D361-I365 HydrophobicContact CB-CD1 4.02Å; D361-I365 VanDerWaalsContact O-CG1 3.31Å; D361-I365 WeakPolarHBondContact O-CG1 3.41Å; D361-I365 PolarHBondContact O-N 2.76Å; R362-I365 PolarHBondContact O-N 3.45Å; I365-K367 PolarHBondContact O-N 3.34Å; I365-S368 WeakPolarHBondContact O-CB 3.24Å; I365-S368 PolarHBondContact O-N 3.04Å; I365-S368 VanDerWaalsContact O-N 3.14Å; I365-L369 HydrophobicContact CG2-CD1 4.1Å; I365-L369 HydrophobicContact CG2-CG 4.35Å; I365-L369 WeakPolarHBondContact O-CG 3.47Å; I365-L369 PolarHBondContact O-N 3.31Å; I365-I389 HydrophobicContact CG2-CD1 4Å |
| 366 | L | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.9 | -35.5 | 179.4 | -68.3 | 168.6 | 0 | 0 | 0 | 113.1 | R362 L369 E370 L386 I389 I452 Q455 F456 V459 | R362-L366 WeakPolarHBondContact O-CB 3.22Å; R362-L366 VanDerWaalsContact O-CG 3.23Å; R362-L366 WeakPolarHBondContact O-CG 3.19Å; R362-L366 PolarHBondContact O-N 3.4Å; L366-L369 HydrophobicContact CD2-CD1 4.49Å; L366-L369 PolarHBondContact O-N 3.38Å; L366-E370 PolarHBondContact O-N 3.41Å; L366-E370 VanDerWaalsContact O-N 3.08Å; L366-L386 HydrophobicContact CD2-CD2 3.7Å; L366-I389 HydrophobicContact CD1-CG2 4.45Å; L366-I389 HydrophobicContact CD2-CD1 3.69Å; L366-I389 HydrophobicContact CG-CD1 3.85Å; L366-I452 HydrophobicContact CD1-CG2 4.14Å; L366-Q455 HydrophobicContact CB-CG 3.67Å; L366-Q455 HydrophobicContact CD1-CB 4.46Å; L366-Q455 HydrophobicContact CD1-CG 4.48Å; L366-F456 HydrophobicContact CD1-CB 4.13Å; L366-F456 HydrophobicContact CD1-CD2 4.46Å; L366-F456 HydrophobicContact CD2-CB 4.4Å; L366-F456 HydrophobicContact CD2-CD2 3.94Å; L366-F456 HydrophobicContact CD2-CG 4.46Å; L366-V459 HydrophobicContact CB-CG2 4.3Å; L366-V459 HydrophobicContact CD2-CG2 4.28Å; L366-V459 WeakPolarHBondContact O-CG2 3.4Å |
| 367 | K | 94.9 | Very high | 93.1 | Very high | 88 Ų | 88 | 58.6 Ų | 58.6 | 38% | 0.383 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 171.3 | -75.1 | 177.7 | -179.8 | -178.2 | 0 | 111.4 | Q363 S364 I365 E370 K371 D449 Q455 | Q363-K367 WeakPolarHBondContact O-CG 3.44Å; Q363-K367 PolarHBondContact O-N 3.18Å; Q363-K367 VanDerWaalsContact O-N 3.08Å; S364-K367 PolarHBondContact O-N 3.35Å; I365-K367 PolarHBondContact O-N 3.34Å; K367-E370 PolarHBondContact O-N 3.08Å; K367-K371 PolarHBondContact O-N 3.1Å; K367-D449 WeakPolarHBondContact CE-OD1 3.35Å; K367-D449 VanDerWaalsContact NZ-CG 3.27Å; K367-D449 IonicContact NZ-OD1 3.06Å; K367-D449 PolarHBondContact NZ-OD1 3.35Å; K367-D449 IonicContact NZ-OD2 3.56Å; K367-D449 PolarHBondContact NZ-OD2 2.92Å; K367-D449 VanDerWaalsContact NZ-OD2 3.1Å; K367-Q455 HydrophobicContact CG-CG 4.43Å |
| 368 | S | 95.7 | Very high | 92.6 | Very high | 78 Ų | 78 | 59.6 Ų | 59.6 | 55% | 0.545 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 176.1 | -166.3 | 0 | 0 | 0 | 0 | 112.6 | S364 I365 K371 D372 | S364-S368 WeakPolarHBondContact O-CB 3.13Å; S364-S368 PolarHBondContact O-N 2.94Å; I365-S368 WeakPolarHBondContact O-CB 3.24Å; I365-S368 PolarHBondContact O-N 3.04Å; I365-S368 VanDerWaalsContact O-N 3.14Å; S368-K371 PolarHBondContact O-N 3.34Å; S368-D372 WeakPolarHBondContact O-CB 3.3Å; S368-D372 PolarHBondContact O-N 3.39Å |
| 369 | L | 96 | Very high | 92.4 | Very high | 17 Ų | 17 | 53.6 Ų | 53.6 | 9% | 0.089 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.5 | -38 | 176.1 | -69.9 | 176.4 | 0 | 0 | 0 | 112.1 | I365 L366 K371 D372 I373 A382 E385 V459 | I365-L369 HydrophobicContact CG2-CD1 4.1Å; I365-L369 HydrophobicContact CG2-CG 4.35Å; I365-L369 WeakPolarHBondContact O-CG 3.47Å; I365-L369 PolarHBondContact O-N 3.31Å; L366-L369 HydrophobicContact CD2-CD1 4.49Å; L366-L369 PolarHBondContact O-N 3.38Å; L369-K371 VanDerWaalsContact C-N 3.28Å; L369-K371 PolarHBondContact O-N 2.64Å; L369-D372 PolarHBondContact O-N 2.64Å; L369-I373 WeakPolarHBondContact O-CB 3.24Å; L369-I373 VanDerWaalsContact O-CD1 3.22Å; L369-I373 WeakPolarHBondContact O-CD1 3.44Å; L369-I373 WeakPolarHBondContact O-CG1 3.5Å; L369-I373 PolarHBondContact O-N 3.31Å; L369-A382 HydrophobicContact CD2-CB 3.96Å; L369-E385 HydrophobicContact CD1-CB 3.77Å; L369-E385 HydrophobicContact CD2-CB 4.47Å; L369-V459 HydrophobicContact CB-CG1 4.01Å; L369-V459 HydrophobicContact CB-CG2 4.49Å |
| 370 | E | 93.8 | Very high | 92.1 | Very high | 32 Ų | 32 | 57.7 Ų | 57.7 | 15% | 0.15 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.6 | -41.8 | 175.5 | -160.9 | -172.5 | 159.4 | 0 | 0 | 111.6 | L366 K367 L374 Q455 R458 V459 K462 | L366-E370 PolarHBondContact O-N 3.41Å; L366-E370 VanDerWaalsContact O-N 3.08Å; K367-E370 PolarHBondContact O-N 3.08Å; E370-L374 WeakPolarHBondContact O-CG 3.07Å; E370-L374 PolarHBondContact O-N 3.5Å; E370-Q455 PolarHBondContact OE2-NE2 2.66Å; E370-R458 VanDerWaalsContact CD-CD 3.41Å; E370-R458 HydrophobicContact CG-CG 4.36Å; E370-R458 WeakPolarHBondContact OE1-CD 3.38Å; E370-R458 WeakPolarHBondContact OE1-CG 3.21Å; E370-R458 WeakPolarHBondContact OE2-CD 3.13Å; E370-R458 WeakPolarHBondContact OE2-CG 3.43Å; E370-V459 HydrophobicContact CB-CG2 4.08Å; E370-K462 HydrophobicContact CG-CD 4.43Å; E370-K462 HydrophobicContact CG-CG 3.74Å; E370-K462 WeakPolarHBondContact OE1-CE 3.34Å; E370-K462 IonicContact OE1-NZ 2.72Å |
| 371 | K | 93.1 | Very high | 92 | Very high | 121 Ų | 121 | 55.3 Ų | 55.3 | 53% | 0.526 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.2 | -52 | 176.5 | -175.6 | -178.4 | 172.9 | -174.8 | 0 | 111.9 | K367 S368 L369 I373 L374 E375 | K367-K371 PolarHBondContact O-N 3.1Å; S368-K371 PolarHBondContact O-N 3.34Å; L369-K371 VanDerWaalsContact C-N 3.28Å; L369-K371 PolarHBondContact O-N 2.64Å; K371-I373 VanDerWaalsContact C-N 3.31Å; K371-I373 PolarHBondContact O-N 2.87Å; K371-L374 WeakPolarHBondContact O-CB 3.01Å; K371-L374 PolarHBondContact O-N 3.42Å; K371-E375 WeakPolarHBondContact CE-OE1 3.41Å; K371-E375 VanDerWaalsContact CE-OE2 3.23Å; K371-E375 WeakPolarHBondContact CE-OE2 3.47Å; K371-E375 HydrophobicContact CG-CG 4.42Å; K371-E375 IonicContact NZ-OE1 2.64Å; K371-E375 PolarHBondContact O-N 2.98Å |
| 372 | D | 91.6 | Very high | 92 | Very high | 61 Ų | 61 | 52.6 Ų | 52.6 | 33% | 0.326 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -55.5 | -44.2 | -179.1 | -177.4 | 62.1 | 0 | 0 | 0 | 111.8 | S368 L369 L374 E375 G376 G377 | S368-D372 WeakPolarHBondContact O-CB 3.3Å; S368-D372 PolarHBondContact O-N 3.39Å; L369-D372 PolarHBondContact O-N 2.64Å; D372-L374 VanDerWaalsContact C-N 3.3Å; D372-L374 PolarHBondContact O-N 3.13Å; D372-E375 PolarHBondContact O-N 2.93Å; D372-G376 PolarHBondContact O-N 3.37Å; D372-G377 WeakPolarHBondContact O-CA 3.43Å; D372-G377 PolarHBondContact O-N 2.92Å; D372-G377 WeakPolarHBondContact OD1-CA 3.46Å |
| 373 | I | 91.8 | Very high | 91.9 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66 | -30.4 | 178.5 | -63.8 | 162.8 | 0 | 0 | 0 | 112.3 | L369 K371 L379 A382 V459 K462 V463 Q466 | L369-I373 WeakPolarHBondContact O-CB 3.24Å; L369-I373 VanDerWaalsContact O-CD1 3.22Å; L369-I373 WeakPolarHBondContact O-CD1 3.44Å; L369-I373 WeakPolarHBondContact O-CG1 3.5Å; L369-I373 PolarHBondContact O-N 3.31Å; K371-I373 VanDerWaalsContact C-N 3.31Å; K371-I373 PolarHBondContact O-N 2.87Å; I373-L379 HydrophobicContact CG2-CD1 4.31Å; I373-A382 HydrophobicContact CD1-CB 3.81Å; I373-A382 HydrophobicContact CG1-CB 3.9Å; I373-V459 HydrophobicContact CD1-CG1 3.56Å; I373-K462 HydrophobicContact CB-CB 4.33Å; I373-K462 HydrophobicContact CG2-CB 3.68Å; I373-V463 HydrophobicContact CD1-CG2 3.69Å; I373-Q466 HydrophobicContact CG2-CG 3.65Å; I373-Q466 PolarHBondContact O-NE2 2.87Å |
| 374 | L | 84.7 | Confident | 92 | Very high | 105 Ų | 105 | 54.9 Ų | 54.9 | 55% | 0.55 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -75.7 | -33.9 | 173.9 | -75.1 | 168.2 | 0 | 0 | 0 | 112.3 | E370 K371 D372 G376 K462 | E370-L374 WeakPolarHBondContact O-CG 3.07Å; E370-L374 PolarHBondContact O-N 3.5Å; K371-L374 WeakPolarHBondContact O-CB 3.01Å; K371-L374 PolarHBondContact O-N 3.42Å; D372-L374 VanDerWaalsContact C-N 3.3Å; D372-L374 PolarHBondContact O-N 3.13Å; L374-G376 VanDerWaalsContact C-N 3.26Å; L374-G376 PolarHBondContact O-N 3.42Å; L374-K462 HydrophobicContact CD1-CD 4.47Å; L374-K462 HydrophobicContact CD2-CD 4.06Å; L374-K462 HydrophobicContact CG-CD 4.27Å |
| 375 | E | 87.7 | Confident | 92 | Very high | 102 Ų | 102 | 55.4 Ų | 55.4 | 48% | 0.477 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 3.4 | -179.2 | -67.3 | -179.4 | 163.5 | 0 | 0 | 113.8 | R93 K371 D372 | R93-E375 PolarHBondContact NH2-O 3.37Å; K371-E375 WeakPolarHBondContact CE-OE1 3.41Å; K371-E375 VanDerWaalsContact CE-OE2 3.23Å; K371-E375 WeakPolarHBondContact CE-OE2 3.47Å; K371-E375 HydrophobicContact CG-CG 4.42Å; K371-E375 IonicContact NZ-OE1 2.64Å; K371-E375 PolarHBondContact O-N 2.98Å; D372-E375 PolarHBondContact O-N 2.93Å |
| 376 | G | 79.9 | Confident | 92.1 | Very high | 62 Ų | 62 | 52.7 Ų | 52.7 | 64% | 0.639 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.5 | 21.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | D372 L374 | D372-G376 PolarHBondContact O-N 3.37Å; L374-G376 VanDerWaalsContact C-N 3.26Å; L374-G376 PolarHBondContact O-N 3.42Å |
| 377 | G | 83.1 | Confident | 92.1 | Very high | 24 Ų | 24 | 55 Ų | 55 | 25% | 0.247 | 29% | 0.292 | C | S | . | . | trans | -63.5 | 170.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D372 L379 | D372-G377 WeakPolarHBondContact O-CA 3.43Å; D372-G377 PolarHBondContact O-N 2.92Å; D372-G377 WeakPolarHBondContact OD1-CA 3.46Å; G377-L379 PolarHBondContact O-N 3.19Å | ||
| 378 | N | 86.6 | Confident | 92.1 | Very high | 91 Ų | 91 | 55.7 Ų | 55.7 | 49% | 0.487 | 30% | 0.297 | S | S | . | . | trans | -78.1 | 100.5 | -169.8 | -171.5 | -34 | 0 | 0 | 0 | 111.7 | R380 N381 A382 | N378-R380 PolarHBondContact O-N 3.28Å; N378-R380 WeakPolarHBondContact OD1-CB 3.48Å; N378-R380 PolarHBondContact OD1-N 3.05Å; N378-N381 WeakPolarHBondContact O-CB 3.5Å; N378-N381 PolarHBondContact O-N 2.82Å; N378-A382 PolarHBondContact O-N 3.48Å | ||
| 379 | L | 91.1 | Very high | 92.2 | Very high | 22 Ų | 22 | 52.3 Ų | 52.3 | 12% | 0.115 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -50.1 | -31.7 | 179.6 | -159.9 | 68.8 | 0 | 0 | 0 | 114.1 | I373 G377 A382 L383 V463 Q466 L467 | I373-L379 HydrophobicContact CG2-CD1 4.31Å; G377-L379 PolarHBondContact O-N 3.19Å; L379-A382 PolarHBondContact O-N 3.21Å; L379-L383 HydrophobicContact CG-CD1 4.34Å; L379-L383 WeakPolarHBondContact O-CB 3.24Å; L379-L383 VanDerWaalsContact O-CG 3.27Å; L379-L383 WeakPolarHBondContact O-CG 3.45Å; L379-L383 PolarHBondContact O-N 3.02Å; L379-V463 HydrophobicContact CD1-CB 4.32Å; L379-V463 HydrophobicContact CD1-CG1 4.06Å; L379-V463 HydrophobicContact CD1-CG2 4.08Å; L379-Q466 HydrophobicContact CD1-CB 4.07Å; L379-Q466 HydrophobicContact CD2-CB 4.34Å; L379-L467 HydrophobicContact CD2-CD2 3.65Å; L379-L467 HydrophobicContact CD2-CG 3.98Å |
| 380 | R | 92.1 | Very high | 92.3 | Very high | 88 Ų | 88 | 52 Ų | 52 | 33% | 0.332 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.2 | -40.1 | 176.8 | -168.5 | 68.5 | 177.2 | 170.3 | -3.4 | 112 | N378 Q384 E475 N476 | N378-R380 PolarHBondContact O-N 3.28Å; N378-R380 WeakPolarHBondContact OD1-CB 3.48Å; N378-R380 PolarHBondContact OD1-N 3.05Å; R380-Q384 VanDerWaalsContact O-CG 3.27Å; R380-Q384 WeakPolarHBondContact O-CG 3.35Å; R380-Q384 PolarHBondContact O-N 3.09Å; R380-Q384 VanDerWaalsContact O-N 3.12Å; R380-E475 PolarHBondContact NH1-O 3.34Å; R380-N476 WeakPolarHBondContact CD-OD1 3.42Å; R380-N476 PolarHBondContact NH1-OD1 2.81Å |
| 381 | N | 93.2 | Very high | 92.4 | Very high | 57 Ų | 57 | 54 Ų | 54 | 31% | 0.305 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -69.2 | -45.4 | 176.9 | -64.7 | -26.4 | 0 | 0 | 0 | 110.1 | R35 N378 L383 Q384 E385 | R35-N381 PolarHBondContact NH2-OD1 3.4Å; N378-N381 WeakPolarHBondContact O-CB 3.5Å; N378-N381 PolarHBondContact O-N 2.82Å; N381-L383 VanDerWaalsContact C-N 3.34Å; N381-L383 PolarHBondContact O-N 3.08Å; N381-Q384 WeakPolarHBondContact O-CA 3.4Å; N381-Q384 WeakPolarHBondContact O-CB 3.44Å; N381-Q384 PolarHBondContact O-N 3.07Å; N381-E385 PolarHBondContact O-N 2.95Å |
| 382 | A | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.8 | -42.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L369 I373 N378 L379 Q384 E385 L386 | L369-A382 HydrophobicContact CD2-CB 3.96Å; I373-A382 HydrophobicContact CD1-CB 3.81Å; I373-A382 HydrophobicContact CG1-CB 3.9Å; N378-A382 PolarHBondContact O-N 3.48Å; L379-A382 PolarHBondContact O-N 3.21Å; A382-Q384 VanDerWaalsContact C-N 3.31Å; A382-Q384 PolarHBondContact O-N 3.12Å; A382-E385 PolarHBondContact O-N 3.25Å; A382-L386 WeakPolarHBondContact O-CB 3.41Å; A382-L386 VanDerWaalsContact O-CG 3.25Å; A382-L386 WeakPolarHBondContact O-CG 3.47Å; A382-L386 PolarHBondContact O-N 2.98Å |
| 383 | L | 96.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.9 | -36.3 | 172.2 | -77.3 | 168.9 | 0 | 0 | 0 | 112.8 | L379 N381 Q387 V463 N476 C479 Y480 L483 | L379-L383 HydrophobicContact CG-CD1 4.34Å; L379-L383 WeakPolarHBondContact O-CB 3.24Å; L379-L383 VanDerWaalsContact O-CG 3.27Å; L379-L383 WeakPolarHBondContact O-CG 3.45Å; L379-L383 PolarHBondContact O-N 3.02Å; N381-L383 VanDerWaalsContact C-N 3.34Å; N381-L383 PolarHBondContact O-N 3.08Å; L383-Q387 WeakPolarHBondContact O-CG 3.33Å; L383-Q387 PolarHBondContact O-N 3.31Å; L383-V463 HydrophobicContact CD2-CG1 3.92Å; L383-V463 HydrophobicContact CG-CG1 4.41Å; L383-N476 HydrophobicContact CD1-CB 3.71Å; L383-C479 HydrophobicContact CD1-CB 4.33Å; L383-Y480 HydrophobicContact CD2-CD2 4.21Å; L383-L483 HydrophobicContact CD2-CD1 3.63Å |
| 384 | Q | 95.9 | Very high | 92.9 | Very high | 71 Ų | 71 | 46.3 Ų | 46.3 | 33% | 0.332 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -68.6 | -42.6 | 176.1 | -75.9 | 170 | 9.1 | 0 | 0 | 112.4 | R380 N381 A382 Q387 Q388 | R380-Q384 VanDerWaalsContact O-CG 3.27Å; R380-Q384 WeakPolarHBondContact O-CG 3.35Å; R380-Q384 PolarHBondContact O-N 3.09Å; R380-Q384 VanDerWaalsContact O-N 3.12Å; N381-Q384 WeakPolarHBondContact O-CA 3.4Å; N381-Q384 WeakPolarHBondContact O-CB 3.44Å; N381-Q384 PolarHBondContact O-N 3.07Å; A382-Q384 VanDerWaalsContact C-N 3.31Å; A382-Q384 PolarHBondContact O-N 3.12Å; Q384-Q387 WeakPolarHBondContact O-CB 3.33Å; Q384-Q387 PolarHBondContact O-N 3.13Å; Q384-Q388 PolarHBondContact O-N 3.22Å; Q384-Q388 VanDerWaalsContact O-N 3.11Å |
| 385 | E | 97.3 | Very high | 93.3 | Very high | 85 Ų | 85 | 44.7 Ų | 44.7 | 40% | 0.397 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.9 | -42.6 | 176.3 | -67.1 | -54.4 | 144.3 | 0 | 0 | 111.5 | L369 N381 A382 Q387 Q388 I389 | L369-E385 HydrophobicContact CD1-CB 3.77Å; L369-E385 HydrophobicContact CD2-CB 4.47Å; N381-E385 PolarHBondContact O-N 2.95Å; A382-E385 PolarHBondContact O-N 3.25Å; E385-Q387 PolarHBondContact O-N 3.33Å; E385-Q388 PolarHBondContact O-N 3.15Å; E385-I389 WeakPolarHBondContact O-CG1 3.46Å; E385-I389 PolarHBondContact O-N 3.28Å |
| 386 | L | 98 | Very high | 93.4 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.5 | -36.6 | 171.4 | -69.7 | 167.9 | 0 | 0 | 0 | 111.9 | L366 A382 I389 I390 F456 V459 M460 V463 L483 | L366-L386 HydrophobicContact CD2-CD2 3.7Å; A382-L386 WeakPolarHBondContact O-CB 3.41Å; A382-L386 VanDerWaalsContact O-CG 3.25Å; A382-L386 WeakPolarHBondContact O-CG 3.47Å; A382-L386 PolarHBondContact O-N 2.98Å; L386-I389 PolarHBondContact O-N 3.5Å; L386-I390 WeakPolarHBondContact O-CB 3.2Å; L386-I390 VanDerWaalsContact O-CG2 3.31Å; L386-I390 WeakPolarHBondContact O-CG2 3.46Å; L386-I390 PolarHBondContact O-N 3.21Å; L386-F456 HydrophobicContact CB-CE2 4.05Å; L386-F456 HydrophobicContact CB-CZ 3.86Å; L386-F456 HydrophobicContact CD2-CD1 4.29Å; L386-F456 HydrophobicContact CD2-CD2 3.7Å; L386-F456 HydrophobicContact CD2-CE1 4.06Å; L386-F456 HydrophobicContact CD2-CE2 3.46Å; L386-F456 VanDerWaalsContact CD2-CE2 3.46Å; L386-F456 HydrophobicContact CD2-CG 4.11Å; L386-F456 HydrophobicContact CD2-CZ 3.65Å; L386-F456 HydrophobicContact CG-CE2 4.37Å; L386-F456 HydrophobicContact CG-CZ 4.32Å; L386-F456 WeakPolarHBondContact O-CE2 3.27Å; L386-V459 HydrophobicContact CD1-CG1 4Å; L386-V459 HydrophobicContact CD2-CB 4.27Å; L386-V459 HydrophobicContact CD2-CG1 4Å; L386-V459 HydrophobicContact CG-CG1 4.38Å; L386-M460 HydrophobicContact CD1-SD 4Å; L386-V463 HydrophobicContact CD1-CG2 4.07Å; L386-L483 HydrophobicContact CB-CD1 3.81Å; L386-L483 HydrophobicContact CB-CD2 4.36Å; L386-L483 HydrophobicContact CD1-CD1 4.33Å |
| 387 | Q | 96.9 | Very high | 93.8 | Very high | 49 Ų | 49 | 41.8 Ų | 41.8 | 23% | 0.229 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.5 | -32.2 | 173.2 | -80.9 | -170.1 | -10.6 | 0 | 0 | 114 | L383 Q384 E385 C479 L483 | L383-Q387 WeakPolarHBondContact O-CG 3.33Å; L383-Q387 PolarHBondContact O-N 3.31Å; Q384-Q387 WeakPolarHBondContact O-CB 3.33Å; Q384-Q387 PolarHBondContact O-N 3.13Å; E385-Q387 PolarHBondContact O-N 3.33Å; Q387-C479 PolarHBondContact NE2-SG 3.46Å; Q387-L483 HydrophobicContact CB-CD2 4.35Å; Q387-L483 HydrophobicContact CG-CD1 4.48Å; Q387-L483 HydrophobicContact CG-CD2 3.66Å; Q387-L483 HydrophobicContact CG-CG 4.14Å |
| 388 | Q | 96 | Very high | 93.7 | Very high | 102 Ų | 102 | 45.2 Ų | 45.2 | 48% | 0.477 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -74.3 | -39.2 | 173.4 | -60.4 | -46.7 | -62 | 0 | 0 | 111.5 | Q384 E385 I391 | Q384-Q388 PolarHBondContact O-N 3.22Å; Q384-Q388 VanDerWaalsContact O-N 3.11Å; E385-Q388 PolarHBondContact O-N 3.15Å; Q388-I391 WeakPolarHBondContact O-CG1 3.22Å |
| 389 | I | 97.6 | Very high | 93 | Very high | 8 Ų | 8 | 45.2 Ų | 45.2 | 4% | 0.041 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.5 | -43.8 | -177 | -67.8 | 174.6 | 0 | 0 | 0 | 111.6 | R362 I365 L366 E385 L386 I391 T392 F456 | R362-I389 HydrophobicContact CG-CG1 4.25Å; R362-I389 HydrophobicContact CG-CG2 4.34Å; I365-I389 HydrophobicContact CG2-CD1 4Å; L366-I389 HydrophobicContact CD1-CG2 4.45Å; L366-I389 HydrophobicContact CD2-CD1 3.69Å; L366-I389 HydrophobicContact CG-CD1 3.85Å; E385-I389 WeakPolarHBondContact O-CG1 3.46Å; E385-I389 PolarHBondContact O-N 3.28Å; L386-I389 PolarHBondContact O-N 3.5Å; I389-I391 PolarHBondContact O-N 3Å; I389-I391 VanDerWaalsContact O-N 3.08Å; I389-T392 WeakPolarHBondContact O-CB 3.31Å; I389-T392 PolarHBondContact O-N 3.4Å; I389-T392 PolarHBondContact O-OG1 3.47Å; I389-F456 HydrophobicContact CB-CD2 4.37Å; I389-F456 HydrophobicContact CB-CE2 4.06Å; I389-F456 HydrophobicContact CG2-CD2 3.74Å; I389-F456 HydrophobicContact CG2-CE2 3.89Å |
| 390 | I | 97.1 | Very high | 91.6 | Very high | 10 Ų | 10 | 49.5 Ų | 49.5 | 5% | 0.051 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -4 | -176.5 | -160.8 | 56 | 0 | 0 | 0 | 114.8 | L386 F456 L483 K486 F493 | L386-I390 WeakPolarHBondContact O-CB 3.2Å; L386-I390 VanDerWaalsContact O-CG2 3.31Å; L386-I390 WeakPolarHBondContact O-CG2 3.46Å; L386-I390 PolarHBondContact O-N 3.21Å; I390-F456 HydrophobicContact CB-CE2 3.97Å; I390-F456 HydrophobicContact CB-CZ 3.8Å; I390-F456 HydrophobicContact CD1-CE1 4.42Å; I390-F456 HydrophobicContact CD1-CE2 4.45Å; I390-F456 HydrophobicContact CD1-CZ 4.17Å; I390-F456 HydrophobicContact CG1-CZ 4.19Å; I390-L483 HydrophobicContact CG2-CD2 3.8Å; I390-K486 HydrophobicContact CG1-CB 3.85Å; I390-K486 HydrophobicContact CG1-CD 4.39Å; I390-K486 HydrophobicContact CG2-CD 3.63Å; I390-F493 HydrophobicContact CD1-CE2 3.49Å; I390-F493 VanDerWaalsContact CD1-CE2 3.49Å; I390-F493 HydrophobicContact CD1-CZ 3.71Å |
| 391 | I | 95.3 | Very high | 89.4 | Confident | 75 Ų | 75 | 50.1 Ų | 50.1 | 39% | 0.385 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 11.4 | 173.2 | 65.3 | 164.7 | 0 | 0 | 0 | 112.7 | Q388 I389 | Q388-I391 WeakPolarHBondContact O-CG1 3.22Å; I389-I391 PolarHBondContact O-N 3Å; I389-I391 VanDerWaalsContact O-N 3.08Å |
| 392 | T | 96.8 | Very high | 86.8 | Confident | 18 Ų | 18 | 51.5 Ų | 51.5 | 11% | 0.11 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -100.6 | 156 | 173.5 | 65.2 | 0 | 0 | 0 | 0 | 111 | L359 R362 I389 I394 | L359-T392 HydrophobicContact CD2-CG2 3.77Å; R362-T392 WeakPolarHBondContact CD-OG1 3.47Å; R362-T392 PolarHBondContact NH1-OG1 2.95Å; I389-T392 WeakPolarHBondContact O-CB 3.31Å; I389-T392 PolarHBondContact O-N 3.4Å; I389-T392 PolarHBondContact O-OG1 3.47Å; T392-I394 PolarHBondContact O-N 3.19Å |
| 393 | P | 95.9 | Very high | 84 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 34% | 0.339 | C | S | . | . | trans | -68.7 | 119.6 | 179.3 | -14.5 | 30.2 | 0 | 0 | 0 | 110.1 | G303 D306 V307 W310 Y328 R362 | G303-P393 VanDerWaalsContact O-CB 3.28Å; G303-P393 WeakPolarHBondContact O-CB 3.23Å; D306-P393 HydrophobicContact CB-CB 4.13Å; D306-P393 HydrophobicContact CB-CG 4.47Å; V307-P393 HydrophobicContact CB-CG 4.35Å; V307-P393 HydrophobicContact CG2-CB 3.75Å; V307-P393 HydrophobicContact CG2-CG 3.61Å; W310-P393 HydrophobicContact CB-CG 3.91Å; W310-P393 HydrophobicContact CD2-CG 3.88Å; W310-P393 HydrophobicContact CE3-CG 3.93Å; W310-P393 HydrophobicContact CG-CG 3.92Å; Y328-P393 WeakPolarHBondContact CE2-O 3.44Å; R362-P393 PolarHBondContact NH1-O 3.06Å | ||
| 394 | I | 95.1 | Very high | 80.9 | Confident | 4 Ų | 4 | 63.5 Ų | 63.5 | 2% | 0.021 | 37% | 0.373 | C | S | . | . | trans | -116.6 | 121.9 | 179.5 | -61.5 | 165.6 | 0 | 0 | 0 | 107.7 | T392 I452 A492 | T392-I394 PolarHBondContact O-N 3.19Å; I394-I452 HydrophobicContact CD1-CG2 4.07Å; I394-I452 HydrophobicContact CG1-CG2 4.1Å; I394-I452 HydrophobicContact CG2-CB 4Å; I394-I452 HydrophobicContact CG2-CG2 3.98Å; I394-A492 HydrophobicContact CB-CB 4.18Å; I394-A492 HydrophobicContact CG2-CB 3.76Å; I394-A492 WeakPolarHBondContact O-CB 3.43Å | ||
| 395 | K | 92.8 | Very high | 78.2 | Confident | 70 Ų | 70 | 65.3 Ų | 65.3 | 30% | 0.304 | 39% | 0.391 | S | S | . | . | trans | -72.8 | 144.4 | 171.1 | -172 | 169.2 | -176 | 178.9 | 0 | 110.5 | S302 Y328 E329 Y397 | S302-K395 WeakPolarHBondContact O-CD 3.36Å; S302-K395 WeakPolarHBondContact O-CG 3.47Å; Y328-K395 HydrophobicContact CD1-CB 3.73Å; Y328-K395 HydrophobicContact CD1-CD 3.65Å; Y328-K395 HydrophobicContact CD1-CG 4.3Å; Y328-K395 HydrophobicContact CD2-CB 4.11Å; Y328-K395 HydrophobicContact CE1-CB 3.65Å; Y328-K395 HydrophobicContact CE1-CD 4.28Å; Y328-K395 HydrophobicContact CE2-CB 4.05Å; Y328-K395 HydrophobicContact CG-CB 3.95Å; Y328-K395 HydrophobicContact CG-CD 4.01Å; Y328-K395 HydrophobicContact CG-CG 4.5Å; E329-K395 WeakPolarHBondContact OE1-CD 3.47Å; E329-K395 IonicContact OE1-NZ 2.64Å; E329-K395 PolarHBondContact OE1-NZ 3.3Å; E329-K395 IonicContact OE2-NZ 3.8Å; E329-K395 PolarHBondContact OE2-NZ 2.99Å; K395-Y397 PolarHBondContact O-N 2.83Å | ||
| 396 | A | 89.7 | Confident | 75.1 | Confident | 33 Ų | 33 | 67 Ų | 67 | 27% | 0.273 | 41% | 0.407 | S | S | . | . | trans | -64.6 | 132.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110 | G301 S398 A492 | G301-A396 PolarHBondContact O-N 3.38Å; A396-S398 PolarHBondContact O-N 2.99Å; A396-A492 HydrophobicContact CB-CB 4.41Å | ||
| 397 | Y | 88.8 | Confident | 71.9 | Confident | 70 Ų | 70 | 72.1 Ų | 72.1 | 28% | 0.275 | 44% | 0.443 | S | S | . | . | trans | -75.5 | 115.3 | 178.5 | 179.8 | -109.6 | 0 | 0 | 0 | 110.9 | K395 P399 P400 S448 D451 | K395-Y397 PolarHBondContact O-N 2.83Å; Y397-P399 HydrophobicContact CE1-CB 4.01Å; Y397-P400 WeakPolarHBondContact OH-CD 3.12Å; Y397-S448 WeakPolarHBondContact OH-CB 3.46Å; Y397-S448 PolarHBondContact OH-OG 2.89Å; Y397-S448 VanDerWaalsContact OH-OG 3.12Å; Y397-D451 WeakPolarHBondContact CB-OD1 3.27Å; Y397-D451 HydrophobicContact CD1-CB 3.74Å; Y397-D451 HydrophobicContact CD2-CB 3.74Å; Y397-D451 HydrophobicContact CE1-CB 4.13Å; Y397-D451 HydrophobicContact CE2-CB 4.15Å; Y397-D451 HydrophobicContact CG-CB 3.53Å | ||
| 398 | S | 80.8 | Confident | 68.7 | Low | 97 Ų | 97 | 76.5 Ų | 76.5 | 68% | 0.678 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -102.1 | 121.4 | 165.3 | -63.6 | 0 | 0 | 0 | 0 | 108 | A396 | A396-S398 PolarHBondContact O-N 2.99Š|
| 399 | P | 72.8 | Confident | 65.6 | Low | 91 Ų | 91 | 78.2 Ų | 78.2 | 59% | 0.591 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 139.6 | 175.2 | 26.7 | -33.5 | 0 | 0 | 0 | 110 | Y397 S401 | Y397-P399 HydrophobicContact CE1-CB 4.01Å; P399-S401 PolarHBondContact O-N 3.27Å; P399-S401 VanDerWaalsContact O-N 3.09Å |
| 400 | P | 61.4 | Low | 62.4 | Low | 111 Ų | 111 | 83.1 Ų | 83.1 | 72% | 0.721 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 118.8 | 169.9 | 26.4 | -32.3 | 0 | 0 | 0 | 107.6 | Y397 A402 | Y397-P400 WeakPolarHBondContact OH-CD 3.12Å; P400-A402 PolarHBondContact O-N 2.95Å |
| 401 | S | 45.5 | Very low | 59.1 | Low | 102 Ų | 102 | 89 Ų | 89 | 71% | 0.713 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -58 | 128.4 | -178.3 | -167.4 | 0 | 0 | 0 | 0 | 109.3 | P399 A403 | P399-S401 PolarHBondContact O-N 3.27Å; P399-S401 VanDerWaalsContact O-N 3.09Å; S401-A403 PolarHBondContact O-N 2.89Å |
| 402 | A | 39.4 | Very low | 55.9 | Low | 85 Ų | 85 | 90.5 Ų | 90.5 | 70% | 0.702 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 133.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | P400 Q404 | P400-A402 PolarHBondContact O-N 2.95Å; A402-Q404 PolarHBondContact O-N 2.85Å |
| 403 | A | 35.4 | Very low | 52.6 | Low | 98 Ų | 98 | 94.1 Ų | 94.1 | 81% | 0.81 | 60% | 0.6 | S | S | * | * | trans | -51.2 | 113.5 | -167.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | S401 | S401-A403 PolarHBondContact O-N 2.89Š| ||
| 404 | Q | 31.2 | Very low | 49.3 | Very low | 155 Ų | 155 | 100.3 Ų | 100.3 | 72% | 0.724 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -59 | 126.4 | 164.2 | -69.2 | -77.9 | -84.8 | 0 | 0 | 106.7 | A402 V406 | A402-Q404 PolarHBondContact O-N 2.85Å; Q404-V406 PolarHBondContact O-N 3.15Å |
| 405 | P | 38.3 | Very low | 46.1 | Very low | 108 Ų | 108 | 108.1 Ų | 108.1 | 70% | 0.701 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 139.2 | 172 | 26.2 | -32.8 | 0 | 0 | 0 | 108.9 | S407 | P405-S407 PolarHBondContact O-N 3.46Š|
| 406 | V | 32.5 | Very low | 43 | Very low | 121 Ų | 121 | 107.4 Ų | 107.4 | 73% | 0.733 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 124.6 | -177.1 | -75.4 | 0 | 0 | 0 | 0 | 110.8 | Q404 D408 | Q404-V406 PolarHBondContact O-N 3.15Å; V406-D408 VanDerWaalsContact C-N 3.29Å; V406-D408 PolarHBondContact O-N 3.04Å; V406-D408 VanDerWaalsContact O-N 3.15Å |
| 407 | S | 30.8 | Very low | 40 | Very low | 108 Ų | 108 | 112.1 Ų | 112.1 | 76% | 0.755 | 72% | 0.718 | S | S | * | * | trans | -89.7 | 66.7 | -178.7 | -58.6 | 0 | 0 | 0 | 0 | 110 | P405 T409 | P405-S407 PolarHBondContact O-N 3.46Å; S407-T409 PolarHBondContact O-N 3.49Å | ||
| 408 | D | 29.8 | Very low | 37.2 | Very low | 140 Ų | 140 | 118 Ų | 118 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | trans | -61.7 | 123.1 | 177.9 | -76.7 | -37.8 | 0 | 0 | 0 | 110.6 | V406 S410 | V406-D408 VanDerWaalsContact C-N 3.29Å; V406-D408 PolarHBondContact O-N 3.04Å; V406-D408 VanDerWaalsContact O-N 3.15Å; D408-S410 PolarHBondContact O-N 3.4Å | ||
| 409 | T | 31.1 | Very low | 34.7 | Very low | 138 Ų | 138 | 119.3 Ų | 119.3 | 85% | 0.847 | 75% | 0.749 | S | S | * | * | trans | -95 | 98.4 | -177.4 | -62.2 | 0 | 0 | 0 | 0 | 110.1 | S407 | S407-T409 PolarHBondContact O-N 3.49Š| ||
| 410 | S | 30.8 | Very low | 32.5 | Very low | 111 Ų | 111 | 118.8 Ų | 118.8 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | trans | -137.5 | 110.9 | 168.4 | 64.2 | 0 | 0 | 0 | 0 | 112.5 | D408 | D408-S410 PolarHBondContact O-N 3.4Š| ||
| 411 | T | 27.2 | Very low | 31.1 | Very low | 135 Ų | 135 | 117.4 Ų | 117.4 | 83% | 0.828 | 76% | 0.758 | S | S | * | * | trans | -56.9 | 135.9 | -179 | -36.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 412 | S | 27.6 | Very low | 30.3 | Very low | 105 Ų | 105 | 120 Ų | 120 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | 177.4 | 152.9 | 128.3 | 52.7 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 413 | S | 28.4 | Very low | 30.1 | Very low | 94 Ų | 94 | 125.5 Ų | 125.5 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | trans | 54.7 | 94.5 | 150.7 | 51.8 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 414 | T | 26.4 | Very low | 29.7 | Very low | 131 Ų | 131 | 129.1 Ų | 129.1 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | 45.9 | 146.2 | 110 | 57.1 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 415 | D | 28.2 | Very low | 29.7 | Very low | 168 Ų | 168 | 126.5 Ų | 126.5 | 90% | 0.898 | 78% | 0.777 | S | S | * | * | trans | 70.2 | 153.9 | 165.5 | -88.1 | -8.8 | 0 | 0 | 0 | 118.8 | ||||
| 416 | G | 27.3 | Very low | 29.2 | Very low | 55 Ų | 55 | 127.7 Ų | 127.7 | 57% | 0.567 | 78% | 0.782 | S | S | * | * | cis | 157.3 | 96.6 | -8.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 417 | T | 27 | Very low | 29.1 | Very low | 132 Ų | 132 | 127.6 Ų | 127.6 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | 65.3 | 120.1 | 156.9 | -41.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 418 | K | 30.3 | Very low | 29.1 | Very low | 192 Ų | 192 | 131.9 Ų | 131.9 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | trans | 155.6 | 110.5 | 135.1 | -87.7 | -176.9 | 177.3 | 178.3 | 0 | 110.2 | ||||
| 419 | T | 26.8 | Very low | 28.8 | Very low | 125 Ų | 125 | 132 Ų | 132 | 77% | 0.767 | 80% | 0.796 | S | S | * | * | 83.3 | 115 | 63.7 | 61.8 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 420 | G | 27.9 | Very low | 28.6 | Very low | 80 Ų | 80 | 132.4 Ų | 132.4 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | 93.6 | 150.9 | 152.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 421 | A | 31.6 | Very low | 28.6 | Very low | 83 Ų | 83 | 135.9 Ų | 135.9 | 69% | 0.686 | 80% | 0.796 | S | S | * | * | cis | -163.6 | 164.6 | -13.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 422 | D | 28.6 | Very low | 28.6 | Very low | 156 Ų | 156 | 135.2 Ų | 135.2 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | 65.2 | 156.1 | 167.5 | -49.5 | -25.9 | 0 | 0 | 0 | 116.2 | ||||
| 423 | K | 34.7 | Very low | 28.7 | Very low | 201 Ų | 201 | 138.6 Ų | 138.6 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | cis | -147.6 | 143.6 | 13.1 | -158.9 | 166.6 | -175.4 | 171.2 | 0 | 112 | ||||
| 424 | E | 27.4 | Very low | 28.7 | Very low | 173 Ų | 173 | 141.5 Ų | 141.5 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | trans | -91.7 | 142.5 | 177.6 | -173.9 | 173.1 | -158.4 | 0 | 0 | 111.7 | ||||
| 425 | A | 30.6 | Very low | 29.1 | Very low | 101 Ų | 101 | 140 Ų | 140 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | -156.3 | 109.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 426 | T | 28.3 | Very low | 29.3 | Very low | 132 Ų | 132 | 137.4 Ų | 137.4 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | -92.7 | 138.8 | 175.3 | 25.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 427 | S | 31.1 | Very low | 29.7 | Very low | 120 Ų | 120 | 140.8 Ų | 140.8 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | trans | -153.6 | 120.5 | 158.7 | 59.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 428 | E | 29.2 | Very low | 30.3 | Very low | 197 Ų | 197 | 139.7 Ų | 139.7 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | trans | -77.2 | 147.1 | 176.1 | -59.1 | 163.8 | 104 | 0 | 0 | 110.9 | ||||
| 429 | D | 24 | Very low | 30.5 | Very low | 144 Ų | 144 | 138.5 Ų | 138.5 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | -169.3 | 166.1 | 114.4 | -153.9 | -0.8 | 0 | 0 | 0 | 112 | |||||
| 430 | L | 27.6 | Very low | 31.1 | Very low | 146 Ų | 146 | 136.4 Ų | 136.4 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | trans | 60.4 | 81.3 | 163.9 | -59.5 | -177.2 | 0 | 0 | 0 | 118.2 | ||||
| 431 | Q | 31.2 | Very low | 31.1 | Very low | 183 Ų | 183 | 138.3 Ų | 138.3 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | trans | -59.8 | 141.3 | 149.4 | -65.7 | 176.7 | -15.9 | 0 | 0 | 111 | ||||
| 432 | S | 25.5 | Very low | 31.6 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | -129.9 | 127.4 | 152.6 | 54.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 433 | H | 30 | Very low | 32.3 | Very low | 176 Ų | 176 | 134.2 Ų | 134.2 | 82% | 0.815 | 78% | 0.779 | S | S | * | * | trans | -71.6 | 140.5 | 177.6 | -105.2 | -94.5 | 0 | 0 | 0 | 110.6 | ||||
| 434 | N | 27.9 | Very low | 33 | Very low | 155 Ų | 155 | 131.1 Ų | 131.1 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | trans | -144.9 | 145.8 | 146.1 | -110.8 | -28 | 0 | 0 | 0 | 111.1 | ||||
| 435 | P | 35.8 | Very low | 34.3 | Very low | 100 Ų | 100 | 127.1 Ų | 127.1 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | trans | -81.5 | 174.5 | -176.1 | 35.9 | -35.2 | 0 | 0 | 0 | 111.7 | ||||
| 436 | P | 32.9 | Very low | 36 | Very low | 113 Ų | 113 | 128 Ų | 128 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | trans | -64.4 | 145.2 | -177.1 | 26.6 | -36.7 | 0 | 0 | 0 | 112.1 | C438 | P436-C438 PolarHBondContact O-N 2.92Š| ||
| 437 | P | 34.6 | Very low | 38.3 | Very low | 126 Ų | 126 | 123.4 Ų | 123.4 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | trans | -67.1 | 105.4 | 177 | 27.5 | -33.5 | 0 | 0 | 0 | 110.5 | ||||
| 438 | C | 39.5 | Very low | 40.6 | Very low | 110 Ų | 110 | 120.5 Ų | 120.5 | 74% | 0.743 | 71% | 0.711 | S | S | * | * | trans | -68.3 | 174.4 | 139.1 | -68.4 | 0 | 0 | 0 | 0 | 109 | P436 | P436-C438 PolarHBondContact O-N 2.92Š| ||
| 439 | D | 34.4 | Very low | 42.8 | Very low | 166 Ų | 166 | 116.6 Ų | 116.6 | 89% | 0.888 | 70% | 0.696 | S | S | * | * | trans | 74.7 | 152.4 | -171.1 | -54.3 | -26.1 | 0 | 0 | 0 | 114.1 | ||||
| 440 | G | 40.3 | Very low | 45.4 | Very low | 81 Ų | 81 | 112 Ų | 112 | 84% | 0.835 | 68% | 0.683 | S | S | * | * | cis | -179.1 | 12.2 | -1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 441 | D | 27.6 | Very low | 48.4 | Very low | 121 Ų | 121 | 105.9 Ų | 105.9 | 65% | 0.647 | 65% | 0.651 | S | S | * | * | trans | -133.1 | 150.6 | -179.8 | -154 | -30.6 | 0 | 0 | 0 | 111 | S443 | D441-S443 VanDerWaalsContact CG-OG 3.31Å; D441-S443 WeakPolarHBondContact OD1-CB 3.4Å; D441-S443 PolarHBondContact OD1-N 3.37Å; D441-S443 PolarHBondContact OD1-OG 2.98Å; D441-S443 PolarHBondContact OD2-OG 2.94Å | ||
| 442 | S | 42.5 | Very low | 51.5 | Low | 91 Ų | 91 | 98 Ų | 98 | 64% | 0.636 | 61% | 0.614 | S | S | * | * | trans | -147.9 | 36.5 | 170.4 | -75.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 443 | S | 42.6 | Very low | 54.8 | Low | 62 Ų | 62 | 92.2 Ų | 92.2 | 43% | 0.434 | 57% | 0.574 | S | S | . | * | trans | -90.3 | 171.6 | 152.1 | 69.9 | 0 | 0 | 0 | 0 | 110.3 | D441 T445 | D441-S443 VanDerWaalsContact CG-OG 3.31Å; D441-S443 WeakPolarHBondContact OD1-CB 3.4Å; D441-S443 PolarHBondContact OD1-N 3.37Å; D441-S443 PolarHBondContact OD1-OG 2.98Å; D441-S443 PolarHBondContact OD2-OG 2.94Å; S443-T445 PolarHBondContact O-N 3.22Å | ||
| 444 | V | 49.3 | Very low | 57.9 | Low | 135 Ų | 135 | 84.1 Ų | 84.1 | 82% | 0.818 | 54% | 0.538 | S | S | * | . | trans | 47.3 | 50.7 | 168.6 | -152.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 445 | T | 54.3 | Low | 61.1 | Low | 89 Ų | 89 | 77 Ų | 77 | 55% | 0.546 | 50% | 0.5 | S | S | . | . | trans | -116.1 | 116.8 | 142.4 | 31.2 | 0 | 0 | 0 | 0 | 108 | S443 I447 R458 | S443-T445 PolarHBondContact O-N 3.22Å; T445-I447 PolarHBondContact O-N 3.38Å; T445-R458 VanDerWaalsContact O-CZ 3.26Å; T445-R458 PolarHBondContact O-NH1 3.47Å; T445-R458 PolarHBondContact O-NH2 3.17Å; T445-R458 PolarHBondContact OG1-NH2 2.94Å | ||
| 446 | P | 66.6 | Low | 64.1 | Low | 121 Ų | 121 | 72.2 Ų | 72.2 | 79% | 0.786 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 122.5 | 177.8 | 27.1 | -32.5 | 0 | 0 | 0 | 109.2 | ||
| 447 | I | 78.1 | Confident | 67.2 | Low | 35 Ų | 35 | 67 Ų | 67 | 18% | 0.179 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -82.4 | 123.2 | 170.2 | -69.6 | 172.7 | 0 | 0 | 0 | 106.6 | T445 D451 Q455 R458 | T445-I447 PolarHBondContact O-N 3.38Å; I447-D451 HydrophobicContact CG2-CB 3.77Å; I447-Q455 HydrophobicContact CG2-CB 4.28Å; I447-R458 HydrophobicContact CD1-CB 3.92Å |
| 448 | S | 79.3 | Confident | 70.1 | Confident | 59 Ų | 59 | 63.6 Ų | 63.6 | 41% | 0.413 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 142.4 | -180 | -53.3 | 0 | 0 | 0 | 0 | 111.3 | Y397 G450 D451 | Y397-S448 WeakPolarHBondContact OH-CB 3.46Å; Y397-S448 PolarHBondContact OH-OG 2.89Å; Y397-S448 VanDerWaalsContact OH-OG 3.12Å; S448-G450 PolarHBondContact O-N 3.35Å; S448-D451 PolarHBondContact O-N 2.91Å; S448-D451 VanDerWaalsContact O-N 3.09Å |
| 449 | D | 74.1 | Confident | 72.8 | Confident | 115 Ų | 115 | 58.3 Ų | 58.3 | 62% | 0.615 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | 125.7 | 174.7 | -83.9 | -47.8 | 0 | 0 | 0 | 111 | Q363 K367 | Q363-D449 PolarHBondContact NE2-OD1 3.21Å; K367-D449 WeakPolarHBondContact CE-OD1 3.35Å; K367-D449 VanDerWaalsContact NZ-CG 3.27Å; K367-D449 IonicContact NZ-OD1 3.06Å; K367-D449 PolarHBondContact NZ-OD1 3.35Å; K367-D449 IonicContact NZ-OD2 3.56Å; K367-D449 PolarHBondContact NZ-OD2 2.92Å; K367-D449 VanDerWaalsContact NZ-OD2 3.1Å |
| 450 | G | 79 | Confident | 75.8 | Confident | 48 Ų | 48 | 50.4 Ų | 50.4 | 50% | 0.495 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 114.3 | -25.6 | -167.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S448 I452 | S448-G450 PolarHBondContact O-N 3.35Å; G450-I452 VanDerWaalsContact C-N 3.29Å; G450-I452 PolarHBondContact O-N 3.02Å |
| 451 | D | 91.7 | Very high | 78.5 | Confident | 17 Ų | 17 | 47 Ų | 47 | 9% | 0.091 | 29% | 0.292 | C | S | . | . | trans | -80.5 | 74.5 | 177.9 | -173.6 | 13.4 | 0 | 0 | 0 | 112.6 | Y397 I447 S448 A453 G454 Q455 | Y397-D451 WeakPolarHBondContact CB-OD1 3.27Å; Y397-D451 HydrophobicContact CD1-CB 3.74Å; Y397-D451 HydrophobicContact CD2-CB 3.74Å; Y397-D451 HydrophobicContact CE1-CB 4.13Å; Y397-D451 HydrophobicContact CE2-CB 4.15Å; Y397-D451 HydrophobicContact CG-CB 3.53Å; I447-D451 HydrophobicContact CG2-CB 3.77Å; S448-D451 PolarHBondContact O-N 2.91Å; S448-D451 VanDerWaalsContact O-N 3.09Å; D451-A453 VanDerWaalsContact C-N 3.25Å; D451-A453 PolarHBondContact O-N 3.11Å; D451-A453 PolarHBondContact OD1-N 2.93Å; D451-G454 PolarHBondContact OD1-N 3.33Å; D451-G454 VanDerWaalsContact OD2-CA 3.32Å; D451-G454 WeakPolarHBondContact OD2-CA 3.23Å; D451-G454 PolarHBondContact OD2-N 3.02Å; D451-Q455 WeakPolarHBondContact O-CB 3.42Å; D451-Q455 PolarHBondContact O-N 3.34Å | ||
| 452 | I | 94.7 | Very high | 81.7 | Confident | 16 Ų | 16 | 43.2 Ų | 43.2 | 8% | 0.082 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.2 | -39.7 | 174.3 | -57.8 | -66.5 | 0 | 0 | 0 | 110.9 | R362 Q363 L366 I394 G450 F456 | R362-I452 HydrophobicContact CB-CD1 4.04Å; Q363-I452 HydrophobicContact CB-CD1 3.92Å; L366-I452 HydrophobicContact CD1-CG2 4.14Å; I394-I452 HydrophobicContact CD1-CG2 4.07Å; I394-I452 HydrophobicContact CG1-CG2 4.1Å; I394-I452 HydrophobicContact CG2-CB 4Å; I394-I452 HydrophobicContact CG2-CG2 3.98Å; G450-I452 VanDerWaalsContact C-N 3.29Å; G450-I452 PolarHBondContact O-N 3.02Å; I452-F456 WeakPolarHBondContact O-CB 3.46Å; I452-F456 PolarHBondContact O-N 2.68Å |
| 453 | A | 94.9 | Very high | 84.2 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.008 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -74.2 | -39.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D451 T457 A492 F493 | D451-A453 VanDerWaalsContact C-N 3.25Å; D451-A453 PolarHBondContact O-N 3.11Å; D451-A453 PolarHBondContact OD1-N 2.93Å; A453-T457 VanDerWaalsContact O-CB 3.32Å; A453-T457 WeakPolarHBondContact O-CB 2.93Å; A453-T457 PolarHBondContact O-N 3.4Å; A453-T457 PolarHBondContact O-OG1 3.09Å; A453-A492 VanDerWaalsContact CB-O 3.28Å; A453-A492 WeakPolarHBondContact CB-O 3.49Å; A453-F493 HydrophobicContact CB-CG 4.5Å |
| 454 | G | 95.5 | Very high | 86.7 | Confident | 5 Ų | 5 | 36 Ų | 36 | 5% | 0.052 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.4 | -46 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D451 F456 T457 R458 H497 | D451-G454 PolarHBondContact OD1-N 3.33Å; D451-G454 VanDerWaalsContact OD2-CA 3.32Å; D451-G454 WeakPolarHBondContact OD2-CA 3.23Å; D451-G454 PolarHBondContact OD2-N 3.02Å; G454-F456 PolarHBondContact O-N 3.01Å; G454-T457 CarbonylContact O-C 3.59Å; G454-T457 WeakPolarHBondContact O-CB 3.41Å; G454-T457 PolarHBondContact O-N 3.41Å; G454-T457 VanDerWaalsContact O-N 3.16Å; G454-R458 PolarHBondContact O-N 2.97Å; G454-H497 WeakPolarHBondContact CA-CE1 2.78Å; G454-H497 PolarHBondContact N-CE1 3.22Å |
| 455 | Q | 96.4 | Very high | 88.8 | Confident | 6 Ų | 6 | 33.5 Ų | 33.5 | 3% | 0.028 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.3 | -42 | 177.7 | -171.4 | 60.2 | 33.6 | 0 | 0 | 111.2 | L366 K367 E370 I447 D451 T457 R458 V459 | L366-Q455 HydrophobicContact CB-CG 3.67Å; L366-Q455 HydrophobicContact CD1-CB 4.46Å; L366-Q455 HydrophobicContact CD1-CG 4.48Å; K367-Q455 HydrophobicContact CG-CG 4.43Å; E370-Q455 PolarHBondContact OE2-NE2 2.66Å; I447-Q455 HydrophobicContact CG2-CB 4.28Å; D451-Q455 WeakPolarHBondContact O-CB 3.42Å; D451-Q455 PolarHBondContact O-N 3.34Å; Q455-T457 VanDerWaalsContact C-N 3.33Å; Q455-T457 PolarHBondContact O-N 3.27Å; Q455-R458 PolarHBondContact O-N 2.9Å; Q455-V459 WeakPolarHBondContact O-CG2 3.47Å; Q455-V459 PolarHBondContact O-N 2.84Å |
| 456 | F | 97.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.8 | -43.7 | 172 | -168.5 | -73 | 0 | 0 | 0 | 111.7 | L366 L386 I389 I390 I452 G454 R458 V459 M460 L483 C487 F493 | L366-F456 HydrophobicContact CD1-CB 4.13Å; L366-F456 HydrophobicContact CD1-CD2 4.46Å; L366-F456 HydrophobicContact CD2-CB 4.4Å; L366-F456 HydrophobicContact CD2-CD2 3.94Å; L366-F456 HydrophobicContact CD2-CG 4.46Å; L386-F456 HydrophobicContact CB-CE2 4.05Å; L386-F456 HydrophobicContact CB-CZ 3.86Å; L386-F456 HydrophobicContact CD2-CD1 4.29Å; L386-F456 HydrophobicContact CD2-CD2 3.7Å; L386-F456 HydrophobicContact CD2-CE1 4.06Å; L386-F456 HydrophobicContact CD2-CE2 3.46Å; L386-F456 VanDerWaalsContact CD2-CE2 3.46Å; L386-F456 HydrophobicContact CD2-CG 4.11Å; L386-F456 HydrophobicContact CD2-CZ 3.65Å; L386-F456 HydrophobicContact CG-CE2 4.37Å; L386-F456 HydrophobicContact CG-CZ 4.32Å; L386-F456 WeakPolarHBondContact O-CE2 3.27Å; I389-F456 HydrophobicContact CB-CD2 4.37Å; I389-F456 HydrophobicContact CB-CE2 4.06Å; I389-F456 HydrophobicContact CG2-CD2 3.74Å; I389-F456 HydrophobicContact CG2-CE2 3.89Å; I390-F456 HydrophobicContact CB-CE2 3.97Å; I390-F456 HydrophobicContact CB-CZ 3.8Å; I390-F456 HydrophobicContact CD1-CE1 4.42Å; I390-F456 HydrophobicContact CD1-CE2 4.45Å; I390-F456 HydrophobicContact CD1-CZ 4.17Å; I390-F456 HydrophobicContact CG1-CZ 4.19Å; I452-F456 WeakPolarHBondContact O-CB 3.46Å; I452-F456 PolarHBondContact O-N 2.68Å; G454-F456 PolarHBondContact O-N 3.01Å; F456-R458 VanDerWaalsContact C-N 3.31Å; F456-R458 PolarHBondContact O-N 3.45Å; F456-V459 PolarHBondContact O-N 3.32Å; F456-M460 HydrophobicContact CD1-CG 3.66Å; F456-M460 HydrophobicContact CE1-CG 3.48Å; F456-M460 VanDerWaalsContact CE1-CG 3.48Å; F456-M460 HydrophobicContact CE1-SD 3.99Å; F456-M460 WeakPolarHBondContact O-CB 3.25Å; F456-M460 WeakPolarHBondContact O-CG 3.43Å; F456-M460 PolarHBondContact O-N 3.36Å; F456-L483 HydrophobicContact CZ-CD2 4.48Å; F456-C487 WeakPolarHBondContact CE1-SG 3.44Å; F456-F493 HydrophobicContact CB-CE1 4.46Å; F456-F493 HydrophobicContact CB-CZ 4.22Å; F456-F493 AromaticContact CD1-CE1 3.93Å; F456-F493 HydrophobicContact CD1-CE1 3.93Å; F456-F493 AromaticContact CD1-CZ 3.73Å; F456-F493 HydrophobicContact CD1-CZ 3.73Å; F456-F493 HydrophobicContact CE1-CZ 4.31Å; F456-F493 HydrophobicContact CG-CE1 4.45Å; F456-F493 HydrophobicContact CG-CZ 4.01Å |
| 457 | T | 97.1 | Very high | 91.6 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.012 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.8 | -36 | 177 | -58.2 | 0 | 0 | 0 | 0 | 111.7 | A453 G454 Q455 M460 G461 F493 H497 W504 | A453-T457 VanDerWaalsContact O-CB 3.32Å; A453-T457 WeakPolarHBondContact O-CB 2.93Å; A453-T457 PolarHBondContact O-N 3.4Å; A453-T457 PolarHBondContact O-OG1 3.09Å; G454-T457 CarbonylContact O-C 3.59Å; G454-T457 WeakPolarHBondContact O-CB 3.41Å; G454-T457 PolarHBondContact O-N 3.41Å; G454-T457 VanDerWaalsContact O-N 3.16Å; Q455-T457 VanDerWaalsContact C-N 3.33Å; Q455-T457 PolarHBondContact O-N 3.27Å; T457-M460 PolarHBondContact O-N 3.35Å; T457-G461 PolarHBondContact O-N 3.2Å; T457-F493 WeakPolarHBondContact OG1-CE1 3.45Å; T457-H497 HydrophobicContact CG2-CB 4.04Å; T457-W504 HydrophobicContact CG2-CH2 4.11Å; T457-W504 HydrophobicContact CG2-CZ3 3.99Å; T457-W504 VanDerWaalsContact O-CH2 3.32Å; T457-W504 WeakPolarHBondContact O-CH2 3.37Å; T457-W504 VanDerWaalsContact O-CZ3 3.27Å; T457-W504 WeakPolarHBondContact O-CZ3 3.48Å |
| 458 | R | 95.9 | Very high | 92.2 | Very high | 55 Ų | 55 | 27.8 Ų | 27.8 | 21% | 0.208 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.1 | -45.4 | 174.7 | -179.1 | 167.6 | -75.5 | 173.8 | -2.3 | 112 | E370 T445 I447 G454 Q455 F456 M460 G461 K462 | E370-R458 VanDerWaalsContact CD-CD 3.41Å; E370-R458 HydrophobicContact CG-CG 4.36Å; E370-R458 WeakPolarHBondContact OE1-CD 3.38Å; E370-R458 WeakPolarHBondContact OE1-CG 3.21Å; E370-R458 WeakPolarHBondContact OE2-CD 3.13Å; E370-R458 WeakPolarHBondContact OE2-CG 3.43Å; T445-R458 VanDerWaalsContact O-CZ 3.26Å; T445-R458 PolarHBondContact O-NH1 3.47Å; T445-R458 PolarHBondContact O-NH2 3.17Å; T445-R458 PolarHBondContact OG1-NH2 2.94Å; I447-R458 HydrophobicContact CD1-CB 3.92Å; G454-R458 PolarHBondContact O-N 2.97Å; Q455-R458 PolarHBondContact O-N 2.9Å; F456-R458 VanDerWaalsContact C-N 3.31Å; F456-R458 PolarHBondContact O-N 3.45Å; R458-M460 PolarHBondContact O-N 2.79Å; R458-G461 WeakPolarHBondContact O-CA 3.33Å; R458-G461 PolarHBondContact O-N 3.45Å; R458-K462 PolarHBondContact O-N 2.63Å; R458-K462 VanDerWaalsContact O-N 3.09Å |
| 459 | V | 97.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.2 | -45.8 | 173.8 | -176.8 | 0 | 0 | 0 | 0 | 110.6 | L366 L369 E370 I373 L386 Q455 F456 G461 K462 V463 | L366-V459 HydrophobicContact CB-CG2 4.3Å; L366-V459 HydrophobicContact CD2-CG2 4.28Å; L366-V459 WeakPolarHBondContact O-CG2 3.4Å; L369-V459 HydrophobicContact CB-CG1 4.01Å; L369-V459 HydrophobicContact CB-CG2 4.49Å; E370-V459 HydrophobicContact CB-CG2 4.08Å; I373-V459 HydrophobicContact CD1-CG1 3.56Å; L386-V459 HydrophobicContact CD1-CG1 4Å; L386-V459 HydrophobicContact CD2-CB 4.27Å; L386-V459 HydrophobicContact CD2-CG1 4Å; L386-V459 HydrophobicContact CG-CG1 4.38Å; Q455-V459 WeakPolarHBondContact O-CG2 3.47Å; Q455-V459 PolarHBondContact O-N 2.84Å; F456-V459 PolarHBondContact O-N 3.32Å; V459-G461 PolarHBondContact O-N 3.41Å; V459-K462 PolarHBondContact O-N 2.99Å; V459-V463 WeakPolarHBondContact O-CG2 3.15Å; V459-V463 PolarHBondContact O-N 2.76Å |
| 460 | M | 97.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.5 | -28.1 | 174.1 | -74.7 | -71.1 | -74.3 | 0 | 0 | 113.4 | L386 F456 T457 R458 C464 Y480 L483 I484 L501 W504 | L386-M460 HydrophobicContact CD1-SD 4Å; F456-M460 HydrophobicContact CD1-CG 3.66Å; F456-M460 HydrophobicContact CE1-CG 3.48Å; F456-M460 VanDerWaalsContact CE1-CG 3.48Å; F456-M460 HydrophobicContact CE1-SD 3.99Å; F456-M460 WeakPolarHBondContact O-CB 3.25Å; F456-M460 WeakPolarHBondContact O-CG 3.43Å; F456-M460 PolarHBondContact O-N 3.36Å; T457-M460 PolarHBondContact O-N 3.35Å; R458-M460 PolarHBondContact O-N 2.79Å; M460-C464 PolarHBondContact O-N 3.25Å; M460-C464 VanDerWaalsContact O-N 3.1Å; M460-Y480 HydrophobicContact CB-CE2 4.36Å; M460-Y480 HydrophobicContact CE-CD2 3.71Å; M460-Y480 HydrophobicContact CE-CE2 3.36Å; M460-Y480 WeakPolarHBondContact O-CE2 3.46Å; M460-Y480 PolarHBondContact O-OH 3.01Å; M460-Y480 HydrophobicContact SD-CD2 3.97Å; M460-Y480 HydrophobicContact SD-CE2 3.68Å; M460-L483 HydrophobicContact CE-CB 3.65Å; M460-L483 HydrophobicContact SD-CB 4.07Å; M460-L483 HydrophobicContact SD-CD1 4Å; M460-I484 HydrophobicContact CE-CG1 3.61Å; M460-L501 HydrophobicContact CB-CD2 4.03Å; M460-L501 HydrophobicContact CE-CD2 4.04Å; M460-L501 HydrophobicContact CG-CD2 4.36Å; M460-W504 HydrophobicContact CB-CZ3 4.23Å |
| 461 | G | 96.2 | Very high | 92.2 | Very high | 8 Ų | 8 | 33.6 Ų | 33.6 | 8% | 0.082 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.5 | -47.4 | 171 | 0 | 0 | 0 | 0 | 0 | 112.6 | T457 R458 V459 V463 C464 T465 | T457-G461 PolarHBondContact O-N 3.2Å; R458-G461 WeakPolarHBondContact O-CA 3.33Å; R458-G461 PolarHBondContact O-N 3.45Å; V459-G461 PolarHBondContact O-N 3.41Å; G461-V463 VanDerWaalsContact C-N 3.31Å; G461-V463 PolarHBondContact O-N 2.82Å; G461-C464 WeakPolarHBondContact O-CA 3.44Å; G461-C464 VanDerWaalsContact O-CB 3.24Å; G461-C464 WeakPolarHBondContact O-CB 3.17Å; G461-C464 PolarHBondContact O-N 2.99Å; G461-C464 VanDerWaalsContact O-N 3.08Å; G461-T465 PolarHBondContact O-N 3.02Å; G461-T465 PolarHBondContact O-OG1 3.1Å |
| 462 | K | 95.3 | Very high | 90.9 | Very high | 43 Ų | 43 | 35.5 Ų | 35.5 | 19% | 0.187 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.4 | -39.5 | 175.1 | -53.9 | -56.4 | -172.9 | 176.4 | 0 | 111.8 | E370 I373 L374 R458 V459 C464 T465 Q466 | E370-K462 HydrophobicContact CG-CD 4.43Å; E370-K462 HydrophobicContact CG-CG 3.74Å; E370-K462 WeakPolarHBondContact OE1-CE 3.34Å; E370-K462 IonicContact OE1-NZ 2.72Å; I373-K462 HydrophobicContact CB-CB 4.33Å; I373-K462 HydrophobicContact CG2-CB 3.68Å; L374-K462 HydrophobicContact CD1-CD 4.47Å; L374-K462 HydrophobicContact CD2-CD 4.06Å; L374-K462 HydrophobicContact CG-CD 4.27Å; R458-K462 PolarHBondContact O-N 2.63Å; R458-K462 VanDerWaalsContact O-N 3.09Å; V459-K462 PolarHBondContact O-N 2.99Å; K462-C464 VanDerWaalsContact C-N 3.33Å; K462-C464 PolarHBondContact O-N 2.79Å; K462-T465 PolarHBondContact O-N 3.39Å; K462-Q466 PolarHBondContact O-N 3.05Å |
| 463 | V | 95.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.9 | -41.8 | 172.4 | 175.4 | 0 | 0 | 0 | 0 | 111.2 | I373 L379 L383 L386 V459 G461 Q466 L467 Y480 | I373-V463 HydrophobicContact CD1-CG2 3.69Å; L379-V463 HydrophobicContact CD1-CB 4.32Å; L379-V463 HydrophobicContact CD1-CG1 4.06Å; L379-V463 HydrophobicContact CD1-CG2 4.08Å; L383-V463 HydrophobicContact CD2-CG1 3.92Å; L383-V463 HydrophobicContact CG-CG1 4.41Å; L386-V463 HydrophobicContact CD1-CG2 4.07Å; V459-V463 WeakPolarHBondContact O-CG2 3.15Å; V459-V463 PolarHBondContact O-N 2.76Å; G461-V463 VanDerWaalsContact C-N 3.31Å; G461-V463 PolarHBondContact O-N 2.82Å; V463-Q466 PolarHBondContact O-N 2.94Å; V463-L467 HydrophobicContact CG1-CD1 4Å; V463-L467 HydrophobicContact CG1-CG 4.35Å; V463-L467 WeakPolarHBondContact O-CB 3.44Å; V463-L467 WeakPolarHBondContact O-CG 3.28Å; V463-L467 PolarHBondContact O-N 3.49Å; V463-Y480 HydrophobicContact CB-CD2 4.14Å; V463-Y480 HydrophobicContact CB-CE2 3.89Å; V463-Y480 HydrophobicContact CG1-CD2 3.34Å; V463-Y480 HydrophobicContact CG1-CE2 3.6Å; V463-Y480 HydrophobicContact CG1-CG 4.16Å |
| 464 | C | 94.8 | Very high | 89.9 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.8 | -50.9 | 174.1 | -165.2 | 0 | 0 | 0 | 0 | 111.4 | M460 G461 K462 Q466 L467 L468 Y480 W504 | M460-C464 PolarHBondContact O-N 3.25Å; M460-C464 VanDerWaalsContact O-N 3.1Å; G461-C464 WeakPolarHBondContact O-CA 3.44Å; G461-C464 VanDerWaalsContact O-CB 3.24Å; G461-C464 WeakPolarHBondContact O-CB 3.17Å; G461-C464 PolarHBondContact O-N 2.99Å; G461-C464 VanDerWaalsContact O-N 3.08Å; K462-C464 VanDerWaalsContact C-N 3.33Å; K462-C464 PolarHBondContact O-N 2.79Å; C464-Q466 VanDerWaalsContact C-N 3.33Å; C464-Q466 PolarHBondContact O-N 2.78Å; C464-L467 PolarHBondContact O-N 3.34Å; C464-L467 VanDerWaalsContact O-N 3.13Å; C464-L468 VanDerWaalsContact O-CG 3.3Å; C464-L468 WeakPolarHBondContact O-CG 3.42Å; C464-L468 PolarHBondContact O-N 2.8Å; C464-Y480 HydrophobicContact CB-CE1 4.43Å; C464-Y480 WeakPolarHBondContact CB-OH 3.29Å; C464-W504 HydrophobicContact CB-CB 4.17Å; C464-W504 HydrophobicContact CB-CD2 4.32Å; C464-W504 HydrophobicContact CB-CG 3.98Å; C464-W504 VanDerWaalsContact SG-CB 3.56Å |
| 465 | T | 92.8 | Very high | 89.7 | Confident | 83 Ų | 83 | 49.7 Ų | 49.7 | 51% | 0.509 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -56.9 | -45.8 | 179.2 | -54.6 | 0 | 0 | 0 | 0 | 111.4 | G461 K462 L468 V469 | G461-T465 PolarHBondContact O-N 3.02Å; G461-T465 PolarHBondContact O-OG1 3.1Å; K462-T465 PolarHBondContact O-N 3.39Å; T465-L468 PolarHBondContact O-N 3Å; T465-V469 HydrophobicContact CG2-CG2 4.45Å; T465-V469 WeakPolarHBondContact O-CG2 3Å; T465-V469 PolarHBondContact O-N 3.12Å |
| 466 | Q | 90.3 | Very high | 89.4 | Confident | 57 Ų | 57 | 50 Ų | 50 | 27% | 0.266 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 176.2 | -70.6 | -64.7 | 6.7 | 0 | 0 | 112.6 | I373 L379 K462 V463 C464 L468 V469 S470 | I373-Q466 HydrophobicContact CG2-CG 3.65Å; I373-Q466 PolarHBondContact O-NE2 2.87Å; L379-Q466 HydrophobicContact CD1-CB 4.07Å; L379-Q466 HydrophobicContact CD2-CB 4.34Å; K462-Q466 PolarHBondContact O-N 3.05Å; V463-Q466 PolarHBondContact O-N 2.94Å; C464-Q466 VanDerWaalsContact C-N 3.33Å; C464-Q466 PolarHBondContact O-N 2.78Å; Q466-L468 PolarHBondContact O-N 2.84Å; Q466-V469 PolarHBondContact O-N 3.26Å; Q466-S470 VanDerWaalsContact O-CB 3.24Å; Q466-S470 WeakPolarHBondContact O-CB 3.46Å; Q466-S470 PolarHBondContact O-N 3.23Å; Q466-S470 PolarHBondContact O-OG 3.28Å |
| 467 | L | 90.5 | Very high | 89.2 | Confident | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.1 | -21.9 | 174.8 | -72.7 | 175.4 | 0 | 0 | 0 | 114.1 | L379 V463 C464 N476 I477 Y480 | L379-L467 HydrophobicContact CD2-CD2 3.65Å; L379-L467 HydrophobicContact CD2-CG 3.98Å; V463-L467 HydrophobicContact CG1-CD1 4Å; V463-L467 HydrophobicContact CG1-CG 4.35Å; V463-L467 WeakPolarHBondContact O-CB 3.44Å; V463-L467 WeakPolarHBondContact O-CG 3.28Å; V463-L467 PolarHBondContact O-N 3.49Å; C464-L467 PolarHBondContact O-N 3.34Å; C464-L467 VanDerWaalsContact O-N 3.13Å; L467-N476 HydrophobicContact CD2-CB 4.1Å; L467-I477 HydrophobicContact CD2-CG1 4.21Å; L467-Y480 HydrophobicContact CD1-CD1 3.64Å; L467-Y480 HydrophobicContact CD1-CD2 4.16Å; L467-Y480 HydrophobicContact CD1-CE1 4.36Å; L467-Y480 HydrophobicContact CD1-CG 3.52Å |
| 468 | L | 88.8 | Confident | 89 | Confident | 65 Ų | 65 | 52.8 Ų | 52.8 | 34% | 0.34 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -90.5 | -23.1 | 177.9 | -68.3 | 174.2 | 0 | 0 | 0 | 113.5 | C464 T465 Q466 Q507 V508 L511 | C464-L468 VanDerWaalsContact O-CG 3.3Å; C464-L468 WeakPolarHBondContact O-CG 3.42Å; C464-L468 PolarHBondContact O-N 2.8Å; T465-L468 PolarHBondContact O-N 3Å; Q466-L468 PolarHBondContact O-N 2.84Å; L468-Q507 HydrophobicContact CD1-CB 4.14Å; L468-Q507 HydrophobicContact CD2-CB 4.22Å; L468-V508 HydrophobicContact CD2-CG2 4.49Å; L468-L511 HydrophobicContact CD2-CB 4.27Å; L468-L511 HydrophobicContact CD2-CD1 3.92Å |
| 469 | V | 86.2 | Confident | 89 | Confident | 118 Ų | 118 | 50.6 Ų | 50.6 | 72% | 0.715 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -103.9 | -31 | -177.3 | 176.9 | 0 | 0 | 0 | 0 | 112.6 | T465 Q466 | T465-V469 HydrophobicContact CG2-CG2 4.45Å; T465-V469 WeakPolarHBondContact O-CG2 3Å; T465-V469 PolarHBondContact O-N 3.12Å; Q466-V469 PolarHBondContact O-N 3.26Å |
| 470 | S | 80.1 | Confident | 89 | Confident | 55 Ų | 55 | 50.6 Ų | 50.6 | 39% | 0.385 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -85.6 | 172.8 | 175.6 | 71 | 0 | 0 | 0 | 0 | 112.6 | Q466 | Q466-S470 VanDerWaalsContact O-CB 3.24Å; Q466-S470 WeakPolarHBondContact O-CB 3.46Å; Q466-S470 PolarHBondContact O-N 3.23Å; Q466-S470 PolarHBondContact O-OG 3.28Å |
| 471 | R | 67.3 | Low | 89 | Confident | 171 Ų | 171 | 51.9 Ų | 51.9 | 65% | 0.645 | 27% | 0.273 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 141.5 | 175.4 | -67.6 | -172.6 | -179.2 | -138.8 | 3.7 | 110.2 | D473 | R471-D473 PolarHBondContact O-N 3.46Š|
| 472 | P | 64.2 | Low | 89 | Confident | 57 Ų | 57 | 57.1 Ų | 57.1 | 37% | 0.37 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 129 | 179.1 | 28.9 | -38 | 0 | 0 | 0 | 111.8 | I477 L511 F515 | P472-I477 HydrophobicContact CB-CD1 3.77Å; P472-L511 HydrophobicContact CB-CD2 4.29Å; P472-F515 HydrophobicContact CB-CE2 4.15Å; P472-F515 HydrophobicContact CB-CZ 4.27Å; P472-F515 HydrophobicContact CG-CE1 3.96Å; P472-F515 HydrophobicContact CG-CE2 3.86Å; P472-F515 HydrophobicContact CG-CZ 3.56Å |
| 473 | D | 82.6 | Confident | 89.1 | Confident | 62 Ų | 62 | 55 Ų | 55 | 33% | 0.332 | 29% | 0.287 | S | S | . | . | trans | -112.8 | 115.9 | 167.4 | 169.1 | -45.8 | 0 | 0 | 0 | 106.1 | R471 E475 N476 I477 | R471-D473 PolarHBondContact O-N 3.46Å; D473-E475 VanDerWaalsContact C-N 3.3Å; D473-E475 PolarHBondContact O-N 3.47Å; D473-E475 PolarHBondContact OD1-N 3.2Å; D473-N476 HydrophobicContact CB-CB 3.97Å; D473-N476 PolarHBondContact O-N 3.27Å; D473-N476 WeakPolarHBondContact OD1-CB 3.49Å; D473-N476 PolarHBondContact OD1-N 3.45Å; D473-N476 PolarHBondContact OD1-ND2 2.64Å; D473-N476 PolarHBondContact OD2-ND2 3.01Å; D473-I477 WeakPolarHBondContact O-CB 3.48Å; D473-I477 WeakPolarHBondContact O-CG1 3.48Å; D473-I477 PolarHBondContact O-N 3.25Å | ||
| 474 | E | 86.7 | Confident | 89.2 | Confident | 138 Ų | 138 | 55 Ų | 55 | 65% | 0.645 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -66.4 | -34.3 | -171.2 | -67.7 | -165 | 169.7 | 0 | 0 | 111.6 | S478 | E474-S478 WeakPolarHBondContact O-CB 3.2Å; E474-S478 PolarHBondContact O-N 3.17Å; E474-S478 PolarHBondContact O-OG 2.86Å |
| 475 | E | 89.8 | Confident | 89.4 | Confident | 120 Ų | 120 | 59.5 Ų | 59.5 | 56% | 0.561 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -69.9 | -31.1 | 176.1 | -68.7 | 85.6 | 165.2 | 0 | 0 | 112.7 | R380 D473 C479 | R380-E475 PolarHBondContact NH1-O 3.34Å; D473-E475 VanDerWaalsContact C-N 3.3Å; D473-E475 PolarHBondContact O-N 3.47Å; D473-E475 PolarHBondContact OD1-N 3.2Å; E475-C479 WeakPolarHBondContact O-CB 3.4Å; E475-C479 PolarHBondContact O-N 3.24Å |
| 476 | N | 91.9 | Very high | 89.5 | Confident | 12 Ų | 12 | 59.6 Ų | 59.6 | 6% | 0.064 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -79.7 | -42 | 175.5 | -70.7 | -23.6 | 0 | 0 | 0 | 111.4 | R380 L383 L467 D473 S478 C479 Y480 | R380-N476 WeakPolarHBondContact CD-OD1 3.42Å; R380-N476 PolarHBondContact NH1-OD1 2.81Å; L383-N476 HydrophobicContact CD1-CB 3.71Å; L467-N476 HydrophobicContact CD2-CB 4.1Å; D473-N476 HydrophobicContact CB-CB 3.97Å; D473-N476 PolarHBondContact O-N 3.27Å; D473-N476 WeakPolarHBondContact OD1-CB 3.49Å; D473-N476 PolarHBondContact OD1-N 3.45Å; D473-N476 PolarHBondContact OD1-ND2 2.64Å; D473-N476 PolarHBondContact OD2-ND2 3.01Å; N476-S478 VanDerWaalsContact C-N 3.34Å; N476-C479 PolarHBondContact O-N 3.48Å; N476-Y480 VanDerWaalsContact O-CB 3.28Å; N476-Y480 WeakPolarHBondContact O-CB 3.36Å; N476-Y480 PolarHBondContact O-N 2.89Å |
| 477 | I | 93 | Very high | 89.8 | Confident | 3 Ų | 3 | 56.9 Ų | 56.9 | 2% | 0.015 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.9 | -47.5 | 171 | -71.6 | 168 | 0 | 0 | 0 | 110 | L467 P472 D473 C479 Y480 L481 V508 L511 L512 | L467-I477 HydrophobicContact CD2-CG1 4.21Å; P472-I477 HydrophobicContact CB-CD1 3.77Å; D473-I477 WeakPolarHBondContact O-CB 3.48Å; D473-I477 WeakPolarHBondContact O-CG1 3.48Å; D473-I477 PolarHBondContact O-N 3.25Å; I477-C479 PolarHBondContact O-N 2.97Å; I477-Y480 PolarHBondContact O-N 3.47Å; I477-L481 HydrophobicContact CG2-CD1 3.84Å; I477-L481 HydrophobicContact CG2-CG 4.46Å; I477-L481 WeakPolarHBondContact O-CB 3.28Å; I477-L481 VanDerWaalsContact O-CG 3.27Å; I477-L481 WeakPolarHBondContact O-CG 3.33Å; I477-L481 PolarHBondContact O-N 2.89Å; I477-V508 HydrophobicContact CB-CG1 4.43Å; I477-V508 HydrophobicContact CG1-CG1 4.19Å; I477-V508 HydrophobicContact CG2-CG1 3.72Å; I477-L511 HydrophobicContact CD1-CD2 3.99Å; I477-L512 HydrophobicContact CD1-CD1 4.47Å; I477-L512 HydrophobicContact CG2-CD1 4.47Å |
| 478 | S | 93.1 | Very high | 90.1 | Very high | 58 Ų | 58 | 58.8 Ų | 58.8 | 41% | 0.406 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 176.8 | -62.8 | 0 | 0 | 0 | 0 | 112.3 | E474 N476 Q482 | E474-S478 WeakPolarHBondContact O-CB 3.2Å; E474-S478 PolarHBondContact O-N 3.17Å; E474-S478 PolarHBondContact O-OG 2.86Å; N476-S478 VanDerWaalsContact C-N 3.34Å; S478-Q482 WeakPolarHBondContact O-CB 3.26Å; S478-Q482 VanDerWaalsContact O-CG 3.24Å; S478-Q482 WeakPolarHBondContact O-CG 3.34Å; S478-Q482 PolarHBondContact O-N 2.93Å; S478-Q482 VanDerWaalsContact O-N 3.08Å |
| 479 | C | 95.9 | Very high | 90.4 | Very high | 8 Ų | 8 | 59.5 Ų | 59.5 | 5% | 0.054 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 176.4 | -176.2 | 0 | 0 | 0 | 0 | 112.1 | L383 Q387 E475 N476 I477 Q482 L483 | L383-C479 HydrophobicContact CD1-CB 4.33Å; Q387-C479 PolarHBondContact NE2-SG 3.46Å; E475-C479 WeakPolarHBondContact O-CB 3.4Å; E475-C479 PolarHBondContact O-N 3.24Å; N476-C479 PolarHBondContact O-N 3.48Å; I477-C479 PolarHBondContact O-N 2.97Å; C479-Q482 PolarHBondContact O-N 3.36Å; C479-L483 WeakPolarHBondContact O-CG 3.47Å; C479-L483 PolarHBondContact O-N 3.49Å |
| 480 | Y | 97.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 179.5 | -177.1 | -110.3 | 0 | 0 | 0 | 112.4 | L383 M460 V463 C464 L467 N476 I477 Q482 L483 I484 V508 | L383-Y480 HydrophobicContact CD2-CD2 4.21Å; M460-Y480 HydrophobicContact CB-CE2 4.36Å; M460-Y480 HydrophobicContact CE-CD2 3.71Å; M460-Y480 HydrophobicContact CE-CE2 3.36Å; M460-Y480 WeakPolarHBondContact O-CE2 3.46Å; M460-Y480 PolarHBondContact O-OH 3.01Å; M460-Y480 HydrophobicContact SD-CD2 3.97Å; M460-Y480 HydrophobicContact SD-CE2 3.68Å; V463-Y480 HydrophobicContact CB-CD2 4.14Å; V463-Y480 HydrophobicContact CB-CE2 3.89Å; V463-Y480 HydrophobicContact CG1-CD2 3.34Å; V463-Y480 HydrophobicContact CG1-CE2 3.6Å; V463-Y480 HydrophobicContact CG1-CG 4.16Å; C464-Y480 HydrophobicContact CB-CE1 4.43Å; C464-Y480 WeakPolarHBondContact CB-OH 3.29Å; L467-Y480 HydrophobicContact CD1-CD1 3.64Å; L467-Y480 HydrophobicContact CD1-CD2 4.16Å; L467-Y480 HydrophobicContact CD1-CE1 4.36Å; L467-Y480 HydrophobicContact CD1-CG 3.52Å; N476-Y480 VanDerWaalsContact O-CB 3.28Å; N476-Y480 WeakPolarHBondContact O-CB 3.36Å; N476-Y480 PolarHBondContact O-N 2.89Å; I477-Y480 PolarHBondContact O-N 3.47Å; Y480-Q482 VanDerWaalsContact C-N 3.34Å; Y480-Q482 PolarHBondContact O-N 3.33Å; Y480-L483 WeakPolarHBondContact O-CB 3.32Å; Y480-L483 PolarHBondContact O-N 3.03Å; Y480-I484 HydrophobicContact CD1-CD1 3.94Å; Y480-I484 HydrophobicContact CE1-CD1 3.45Å; Y480-I484 VanDerWaalsContact CE1-CD1 3.45Å; Y480-I484 HydrophobicContact CE1-CG1 4.38Å; Y480-I484 PolarHBondContact O-N 2.97Å; Y480-V508 HydrophobicContact CD1-CG2 4.09Å; Y480-V508 HydrophobicContact CE1-CG2 3.93Å |
| 481 | L | 96.1 | Very high | 91.4 | Very high | 27 Ų | 27 | 57.1 Ų | 57.1 | 14% | 0.141 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 175 | -68 | 170.1 | 0 | 0 | 0 | 111.4 | I477 L483 I484 E485 K505 V508 L509 | I477-L481 HydrophobicContact CG2-CD1 3.84Å; I477-L481 HydrophobicContact CG2-CG 4.46Å; I477-L481 WeakPolarHBondContact O-CB 3.28Å; I477-L481 VanDerWaalsContact O-CG 3.27Å; I477-L481 WeakPolarHBondContact O-CG 3.33Å; I477-L481 PolarHBondContact O-N 2.89Å; L481-L483 PolarHBondContact O-N 3.31Å; L481-I484 PolarHBondContact O-N 2.84Å; L481-E485 PolarHBondContact O-N 3.47Å; L481-E485 VanDerWaalsContact O-N 3.15Å; L481-K505 HydrophobicContact CD2-CG 3.83Å; L481-V508 HydrophobicContact CD2-CG1 4.46Å; L481-L509 HydrophobicContact CD1-CD2 3.87Å; L481-L509 HydrophobicContact CD1-CG 4.49Å; L481-L509 HydrophobicContact CD2-CD2 4.34Å; L481-L509 HydrophobicContact CD2-CG 4.1Å |
| 482 | Q | 96.8 | Very high | 92.6 | Very high | 118 Ų | 118 | 49.4 Ų | 49.4 | 55% | 0.551 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -64.6 | -36 | 174.1 | -73 | 171.8 | 21.3 | 0 | 0 | 113.2 | S478 C479 Y480 K486 | S478-Q482 WeakPolarHBondContact O-CB 3.26Å; S478-Q482 VanDerWaalsContact O-CG 3.24Å; S478-Q482 WeakPolarHBondContact O-CG 3.34Å; S478-Q482 PolarHBondContact O-N 2.93Å; S478-Q482 VanDerWaalsContact O-N 3.08Å; C479-Q482 PolarHBondContact O-N 3.36Å; Y480-Q482 VanDerWaalsContact C-N 3.34Å; Y480-Q482 PolarHBondContact O-N 3.33Å; Q482-K486 PolarHBondContact O-N 2.74Å |
| 483 | L | 97.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.8 | -42 | 172.3 | -76.6 | 173.6 | 0 | 0 | 0 | 111.4 | L383 L386 Q387 I390 F456 M460 C479 Y480 L481 E485 K486 C487 | L383-L483 HydrophobicContact CD2-CD1 3.63Å; L386-L483 HydrophobicContact CB-CD1 3.81Å; L386-L483 HydrophobicContact CB-CD2 4.36Å; L386-L483 HydrophobicContact CD1-CD1 4.33Å; Q387-L483 HydrophobicContact CB-CD2 4.35Å; Q387-L483 HydrophobicContact CG-CD1 4.48Å; Q387-L483 HydrophobicContact CG-CD2 3.66Å; Q387-L483 HydrophobicContact CG-CG 4.14Å; I390-L483 HydrophobicContact CG2-CD2 3.8Å; F456-L483 HydrophobicContact CZ-CD2 4.48Å; M460-L483 HydrophobicContact CE-CB 3.65Å; M460-L483 HydrophobicContact SD-CB 4.07Å; M460-L483 HydrophobicContact SD-CD1 4Å; C479-L483 WeakPolarHBondContact O-CG 3.47Å; C479-L483 PolarHBondContact O-N 3.49Å; Y480-L483 WeakPolarHBondContact O-CB 3.32Å; Y480-L483 PolarHBondContact O-N 3.03Å; L481-L483 PolarHBondContact O-N 3.31Å; L483-E485 PolarHBondContact O-N 3.01Å; L483-K486 PolarHBondContact O-N 3.37Å; L483-C487 PolarHBondContact O-N 3.48Å; L483-C487 PolarHBondContact O-SG 2.76Å; L483-C487 VanDerWaalsContact O-SG 3.35Å |
| 484 | I | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.9 | -47.9 | 176.1 | -70.9 | 170.6 | 0 | 0 | 0 | 111.1 | M460 Y480 L481 K486 C487 L488 L501 K505 | M460-I484 HydrophobicContact CE-CG1 3.61Å; Y480-I484 HydrophobicContact CD1-CD1 3.94Å; Y480-I484 HydrophobicContact CE1-CD1 3.45Å; Y480-I484 VanDerWaalsContact CE1-CD1 3.45Å; Y480-I484 HydrophobicContact CE1-CG1 4.38Å; Y480-I484 PolarHBondContact O-N 2.97Å; L481-I484 PolarHBondContact O-N 2.84Å; I484-K486 PolarHBondContact O-N 2.79Å; I484-C487 PolarHBondContact O-N 2.75Å; I484-C487 VanDerWaalsContact O-N 3.12Å; I484-L488 HydrophobicContact CG2-CD1 3.73Å; I484-L488 HydrophobicContact CG2-CG 4.02Å; I484-L488 VanDerWaalsContact O-CG 3.31Å; I484-L488 WeakPolarHBondContact O-CG 3.48Å; I484-L488 PolarHBondContact O-N 3.26Å; I484-L501 HydrophobicContact CG1-CD2 4.12Å; I484-L501 HydrophobicContact CG2-CB 4.25Å; I484-K505 HydrophobicContact CD1-CB 3.96Å; I484-K505 HydrophobicContact CG2-CB 4.24Å; I484-K505 HydrophobicContact CG2-CD 4.01Å; I484-K505 HydrophobicContact CG2-CG 4.37Å |
| 485 | E | 97.6 | Very high | 94.9 | Very high | 95 Ų | 95 | 44.9 Ų | 44.9 | 44% | 0.444 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59 | -37.8 | 179.7 | -50.1 | -56.3 | -176.5 | 0 | 0 | 112.1 | L481 L483 L488 A489 K505 | L481-E485 PolarHBondContact O-N 3.47Å; L481-E485 VanDerWaalsContact O-N 3.15Å; L483-E485 PolarHBondContact O-N 3.01Å; E485-L488 PolarHBondContact O-N 2.99Å; E485-A489 PolarHBondContact O-N 3.14Å; E485-A489 VanDerWaalsContact O-N 3.08Å; E485-K505 WeakPolarHBondContact OE1-CE 3.4Å; E485-K505 IonicContact OE1-NZ 3.55Å; E485-K505 PolarHBondContact OE1-NZ 2.95Å; E485-K505 IonicContact OE2-NZ 3.59Å; E485-K505 PolarHBondContact OE2-NZ 2.93Å |
| 486 | K | 96.1 | Very high | 95.1 | Very high | 85 Ų | 85 | 43.4 Ų | 43.4 | 37% | 0.37 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.3 | -48.2 | 174.4 | -68.8 | -176.1 | -179.7 | -176.1 | 0 | 111.7 | I390 Q482 L483 I484 L488 A489 H490 | I390-K486 HydrophobicContact CG1-CB 3.85Å; I390-K486 HydrophobicContact CG1-CD 4.39Å; I390-K486 HydrophobicContact CG2-CD 3.63Å; Q482-K486 PolarHBondContact O-N 2.74Å; L483-K486 PolarHBondContact O-N 3.37Å; I484-K486 PolarHBondContact O-N 2.79Å; K486-L488 VanDerWaalsContact C-N 3.29Å; K486-L488 PolarHBondContact O-N 3.43Å; K486-A489 PolarHBondContact O-N 3.35Å; K486-H490 WeakPolarHBondContact O-CB 3.35Å; K486-H490 PolarHBondContact O-N 2.77Å |
| 487 | C | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.9 | -31.9 | 178.3 | -64.2 | 0 | 0 | 0 | 0 | 113.1 | F456 L483 I484 F493 K498 L501 | F456-C487 WeakPolarHBondContact CE1-SG 3.44Å; L483-C487 PolarHBondContact O-N 3.48Å; L483-C487 PolarHBondContact O-SG 2.76Å; L483-C487 VanDerWaalsContact O-SG 3.35Å; I484-C487 PolarHBondContact O-N 2.75Å; I484-C487 VanDerWaalsContact O-N 3.12Å; C487-F493 HydrophobicContact CB-CD1 4Å; C487-F493 HydrophobicContact CB-CE1 3.92Å; C487-F493 HydrophobicContact CB-CE2 4.44Å; C487-F493 HydrophobicContact CB-CG 4.31Å; C487-F493 HydrophobicContact CB-CZ 4.16Å; C487-F493 WeakPolarHBondContact O-CB 3.26Å; C487-K498 WeakPolarHBondContact O-CE 3.46Å; C487-L501 HydrophobicContact CB-CD1 3.55Å |
| 488 | L | 96.6 | Very high | 95.4 | Very high | 42 Ų | 42 | 45.6 Ų | 45.6 | 22% | 0.22 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -71.3 | -35.7 | 174.8 | -65.1 | 177.9 | 0 | 0 | 0 | 112.2 | I484 E485 K486 K498 L501 V502 | I484-L488 HydrophobicContact CG2-CD1 3.73Å; I484-L488 HydrophobicContact CG2-CG 4.02Å; I484-L488 VanDerWaalsContact O-CG 3.31Å; I484-L488 WeakPolarHBondContact O-CG 3.48Å; I484-L488 PolarHBondContact O-N 3.26Å; E485-L488 PolarHBondContact O-N 2.99Å; K486-L488 VanDerWaalsContact C-N 3.29Å; K486-L488 PolarHBondContact O-N 3.43Å; L488-K498 HydrophobicContact CD2-CB 3.69Å; L488-K498 HydrophobicContact CD2-CG 3.96Å; L488-K498 WeakPolarHBondContact O-CE 3.48Å; L488-K498 PolarHBondContact O-NZ 2.93Å; L488-L501 HydrophobicContact CD2-CB 4.29Å; L488-V502 HydrophobicContact CD1-CG2 3.96Å; L488-V502 HydrophobicContact CD2-CG2 3.85Å |
| 489 | A | 94.8 | Very high | 95.6 | Very high | 81 Ų | 81 | 48.7 Ų | 48.7 | 67% | 0.669 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -75.6 | -30 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | E485 K486 | E485-A489 PolarHBondContact O-N 3.14Å; E485-A489 VanDerWaalsContact O-N 3.08Å; K486-A489 PolarHBondContact O-N 3.35Å |
| 490 | H | 94.3 | Very high | 95.6 | Very high | 20 Ų | 20 | 55 Ų | 55 | 9% | 0.093 | 28% | 0.276 | C | S | . | . | trans | -72.4 | 139 | -174.9 | -164.8 | -38.1 | 0 | 0 | 0 | 112.5 | D306 K486 A492 F493 K498 | D306-H490 IonicContact OD2-CE1 3.5Å; K486-H490 WeakPolarHBondContact O-CB 3.35Å; K486-H490 PolarHBondContact O-N 2.77Å; H490-A492 PolarHBondContact ND1-N 3.21Å; H490-F493 HydrophobicContact CB-CD2 3.81Å; H490-F493 HydrophobicContact CB-CE2 4.25Å; H490-F493 AromaticContact CG-CD2 3.91Å; H490-K498 WeakPolarHBondContact O-CE 3.37Å; H490-K498 PolarHBondContact O-NZ 2.96Å | ||
| 491 | E | 91.7 | Very high | 95.6 | Very high | 102 Ų | 102 | 55 Ų | 55 | 48% | 0.477 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -37.8 | -172.3 | -66.8 | 178.2 | 176.3 | 0 | 0 | 114.3 | K305 F493 | K305-E491 VanDerWaalsContact CD-OE2 3.25Å; K305-E491 WeakPolarHBondContact CD-OE2 3.38Å; K305-E491 IonicContact NZ-OE1 3.89Å; K305-E491 PolarHBondContact NZ-OE1 3.02Å; K305-E491 IonicContact NZ-OE2 3.25Å; K305-E491 PolarHBondContact NZ-OE2 3.02Å; E491-F493 PolarHBondContact O-N 3.4Å |
| 492 | A | 93.5 | Very high | 95.7 | Very high | 9 Ų | 9 | 56.2 Ų | 56.2 | 7% | 0.074 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -9.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | I394 A396 A453 H490 | I394-A492 HydrophobicContact CB-CB 4.18Å; I394-A492 HydrophobicContact CG2-CB 3.76Å; I394-A492 WeakPolarHBondContact O-CB 3.43Å; A396-A492 HydrophobicContact CB-CB 4.41Å; A453-A492 VanDerWaalsContact CB-O 3.28Å; A453-A492 WeakPolarHBondContact CB-O 3.49Å; H490-A492 PolarHBondContact ND1-N 3.21Å |
| 493 | F | 94.8 | Very high | 95.7 | Very high | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -86 | 115.1 | 173.2 | -75.3 | -102.8 | 0 | 0 | 0 | 109.6 | I390 A453 F456 T457 C487 H490 E491 H497 K498 L501 | I390-F493 HydrophobicContact CD1-CE2 3.49Å; I390-F493 VanDerWaalsContact CD1-CE2 3.49Å; I390-F493 HydrophobicContact CD1-CZ 3.71Å; A453-F493 HydrophobicContact CB-CG 4.5Å; F456-F493 HydrophobicContact CB-CE1 4.46Å; F456-F493 HydrophobicContact CB-CZ 4.22Å; F456-F493 AromaticContact CD1-CE1 3.93Å; F456-F493 HydrophobicContact CD1-CE1 3.93Å; F456-F493 AromaticContact CD1-CZ 3.73Å; F456-F493 HydrophobicContact CD1-CZ 3.73Å; F456-F493 HydrophobicContact CE1-CZ 4.31Å; F456-F493 HydrophobicContact CG-CE1 4.45Å; F456-F493 HydrophobicContact CG-CZ 4.01Å; T457-F493 WeakPolarHBondContact OG1-CE1 3.45Å; C487-F493 HydrophobicContact CB-CD1 4Å; C487-F493 HydrophobicContact CB-CE1 3.92Å; C487-F493 HydrophobicContact CB-CE2 4.44Å; C487-F493 HydrophobicContact CB-CG 4.31Å; C487-F493 HydrophobicContact CB-CZ 4.16Å; C487-F493 WeakPolarHBondContact O-CB 3.26Å; H490-F493 HydrophobicContact CB-CD2 3.81Å; H490-F493 HydrophobicContact CB-CE2 4.25Å; H490-F493 AromaticContact CG-CD2 3.91Å; E491-F493 PolarHBondContact O-N 3.4Å; F493-H497 HydrophobicContact CB-CB 4.47Å; F493-H497 HydrophobicContact CD1-CB 4.17Å; F493-K498 HydrophobicContact CB-CG 4.2Å; F493-K498 WeakPolarHBondContact O-CE 3.44Å; F493-L501 HydrophobicContact CD1-CD1 4.12Å |
| 494 | S | 93.5 | Very high | 95.7 | Very high | 48 Ų | 48 | 56.4 Ų | 56.4 | 34% | 0.336 | 29% | 0.288 | S | S | . | . | trans | -61.6 | 158.1 | 176.5 | 70.6 | 0 | 0 | 0 | 0 | 112 | T496 H497 K498 | S494-T496 PolarHBondContact O-N 3.4Å; S494-T496 PolarHBondContact OG-OG1 3.49Å; S494-H497 WeakPolarHBondContact O-CA 3.28Å; S494-H497 WeakPolarHBondContact O-CB 3.31Å; S494-H497 PolarHBondContact O-N 3.26Å; S494-H497 PolarHBondContact OG-CD2 2.87Å; S494-H497 PolarHBondContact OG-N 3.23Å; S494-H497 PolarHBondContact OG-ND1 3.39Å; S494-H497 PolarHBondContact OG-NE2 2.99Å; S494-K498 PolarHBondContact O-N 2.91Å | ||
| 495 | E | 93.8 | Very high | 95.6 | Very high | 110 Ų | 110 | 58.6 Ų | 58.6 | 51% | 0.514 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.6 | -25.6 | 178.6 | 178.2 | 54.3 | -159.5 | 0 | 0 | 112.9 | K499 | E495-K499 HydrophobicContact CG-CD 4.38Å; E495-K499 VanDerWaalsContact CG-NZ 3.26Å; E495-K499 WeakPolarHBondContact O-CB 3.3Å; E495-K499 VanDerWaalsContact O-CG 3.31Å; E495-K499 WeakPolarHBondContact O-CG 3.19Å; E495-K499 PolarHBondContact O-N 3.09Å; E495-K499 VanDerWaalsContact OE1-CE 3.22Å; E495-K499 WeakPolarHBondContact OE1-CE 3.37Å; E495-K499 IonicContact OE1-NZ 2.79Å; E495-K499 PolarHBondContact OE1-NZ 2.9Å |
| 496 | T | 93.1 | Very high | 95.5 | Very high | 89 Ų | 89 | 60.2 Ų | 60.2 | 55% | 0.546 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -73.3 | -34.4 | 172.2 | 59 | 0 | 0 | 0 | 0 | 112.1 | S494 R500 | S494-T496 PolarHBondContact O-N 3.4Å; S494-T496 PolarHBondContact OG-OG1 3.49Å; T496-R500 WeakPolarHBondContact O-CG 3.14Å; T496-R500 PolarHBondContact O-N 3.14Å |
| 497 | H | 94.9 | Very high | 95.3 | Very high | 23 Ų | 23 | 60 Ų | 60 | 11% | 0.106 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.9 | -46.4 | 171.7 | -60 | 173.1 | 0 | 0 | 0 | 110.4 | G454 T457 F493 S494 K499 R500 L501 | G454-H497 WeakPolarHBondContact CA-CE1 2.78Å; G454-H497 PolarHBondContact N-CE1 3.22Å; T457-H497 HydrophobicContact CG2-CB 4.04Å; F493-H497 HydrophobicContact CB-CB 4.47Å; F493-H497 HydrophobicContact CD1-CB 4.17Å; S494-H497 WeakPolarHBondContact O-CA 3.28Å; S494-H497 WeakPolarHBondContact O-CB 3.31Å; S494-H497 PolarHBondContact O-N 3.26Å; S494-H497 PolarHBondContact OG-CD2 2.87Å; S494-H497 PolarHBondContact OG-N 3.23Å; S494-H497 PolarHBondContact OG-ND1 3.39Å; S494-H497 PolarHBondContact OG-NE2 2.99Å; H497-K499 PolarHBondContact O-N 3.48Å; H497-R500 PolarHBondContact O-N 3.3Å; H497-L501 WeakPolarHBondContact O-CD1 3.28Å; H497-L501 WeakPolarHBondContact O-CG 3.4Å; H497-L501 PolarHBondContact O-N 2.61Å |
| 498 | K | 97.3 | Very high | 95 | Very high | 39 Ų | 39 | 60.1 Ų | 60.1 | 17% | 0.17 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.4 | -44 | 179.2 | -66.8 | -173.1 | 178 | -176.5 | 0 | 112.3 | C487 L488 H490 F493 S494 R500 L501 V502 | C487-K498 WeakPolarHBondContact O-CE 3.46Å; L488-K498 HydrophobicContact CD2-CB 3.69Å; L488-K498 HydrophobicContact CD2-CG 3.96Å; L488-K498 WeakPolarHBondContact O-CE 3.48Å; L488-K498 PolarHBondContact O-NZ 2.93Å; H490-K498 WeakPolarHBondContact O-CE 3.37Å; H490-K498 PolarHBondContact O-NZ 2.96Å; F493-K498 HydrophobicContact CB-CG 4.2Å; F493-K498 WeakPolarHBondContact O-CE 3.44Å; S494-K498 PolarHBondContact O-N 2.91Å; K498-R500 PolarHBondContact O-N 2.9Å; K498-L501 PolarHBondContact O-N 3.47Å; K498-V502 WeakPolarHBondContact O-CG2 3.45Å; K498-V502 PolarHBondContact O-N 2.84Å |
| 499 | K | 97.3 | Very high | 94.7 | Very high | 122 Ų | 122 | 60.6 Ų | 60.6 | 53% | 0.53 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57.7 | -45.6 | 173.5 | -79.1 | 168.9 | 164.9 | 116.1 | 0 | 113.2 | E495 H497 V502 T503 | E495-K499 HydrophobicContact CG-CD 4.38Å; E495-K499 VanDerWaalsContact CG-NZ 3.26Å; E495-K499 WeakPolarHBondContact O-CB 3.3Å; E495-K499 VanDerWaalsContact O-CG 3.31Å; E495-K499 WeakPolarHBondContact O-CG 3.19Å; E495-K499 PolarHBondContact O-N 3.09Å; E495-K499 VanDerWaalsContact OE1-CE 3.22Å; E495-K499 WeakPolarHBondContact OE1-CE 3.37Å; E495-K499 IonicContact OE1-NZ 2.79Å; E495-K499 PolarHBondContact OE1-NZ 2.9Å; H497-K499 PolarHBondContact O-N 3.48Å; K499-V502 PolarHBondContact O-N 3.41Å; K499-T503 PolarHBondContact O-N 2.85Å; K499-T503 VanDerWaalsContact O-N 3.14Å; K499-T503 PolarHBondContact O-OG1 3.4Å |
| 500 | R | 95.6 | Very high | 94.4 | Very high | 140 Ų | 140 | 63.3 Ų | 63.3 | 53% | 0.528 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.7 | -46.4 | 175.9 | -73.4 | 174.1 | 172.7 | 169.4 | -2.5 | 112 | T496 H497 K498 V502 T503 W504 | T496-R500 WeakPolarHBondContact O-CG 3.14Å; T496-R500 PolarHBondContact O-N 3.14Å; H497-R500 PolarHBondContact O-N 3.3Å; K498-R500 PolarHBondContact O-N 2.9Å; R500-V502 VanDerWaalsContact C-N 3.33Å; R500-V502 PolarHBondContact O-N 3.09Å; R500-T503 PolarHBondContact O-N 3.35Å; R500-T503 VanDerWaalsContact O-N 3.16Å; R500-W504 HydrophobicContact CB-CH2 4.18Å; R500-W504 HydrophobicContact CB-CZ2 4.28Å; R500-W504 HydrophobicContact CB-CZ3 4.39Å; R500-W504 PolarHBondContact O-N 3.25Å |
| 501 | L | 97.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.4 | -38 | 177.9 | -69.2 | 160.2 | 0 | 0 | 0 | 112.3 | M460 I484 C487 L488 F493 H497 K498 W504 K505 | M460-L501 HydrophobicContact CB-CD2 4.03Å; M460-L501 HydrophobicContact CE-CD2 4.04Å; M460-L501 HydrophobicContact CG-CD2 4.36Å; I484-L501 HydrophobicContact CG1-CD2 4.12Å; I484-L501 HydrophobicContact CG2-CB 4.25Å; C487-L501 HydrophobicContact CB-CD1 3.55Å; L488-L501 HydrophobicContact CD2-CB 4.29Å; F493-L501 HydrophobicContact CD1-CD1 4.12Å; H497-L501 WeakPolarHBondContact O-CD1 3.28Å; H497-L501 WeakPolarHBondContact O-CG 3.4Å; H497-L501 PolarHBondContact O-N 2.61Å; K498-L501 PolarHBondContact O-N 3.47Å; L501-W504 HydrophobicContact CD2-CE3 4Å; L501-W504 HydrophobicContact CD2-CZ3 4.1Å; L501-W504 HydrophobicContact CG-CE3 4.46Å; L501-W504 HydrophobicContact CG-CZ3 4.49Å; L501-W504 PolarHBondContact O-N 3.42Å; L501-K505 WeakPolarHBondContact O-CB 3.48Å; L501-K505 PolarHBondContact O-N 3.25Å |
| 502 | V | 97.6 | Very high | 93.2 | Very high | 53 Ų | 53 | 61.6 Ų | 61.6 | 32% | 0.321 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 173.6 | 171 | 0 | 0 | 0 | 0 | 111.9 | L488 K498 K499 R500 K505 Q506 | L488-V502 HydrophobicContact CD1-CG2 3.96Å; L488-V502 HydrophobicContact CD2-CG2 3.85Å; K498-V502 WeakPolarHBondContact O-CG2 3.45Å; K498-V502 PolarHBondContact O-N 2.84Å; K499-V502 PolarHBondContact O-N 3.41Å; R500-V502 VanDerWaalsContact C-N 3.33Å; R500-V502 PolarHBondContact O-N 3.09Å; V502-K505 WeakPolarHBondContact O-CB 3.49Å; V502-K505 PolarHBondContact O-N 3.46Å; V502-Q506 WeakPolarHBondContact O-CG 3.42Å; V502-Q506 PolarHBondContact O-N 2.85Å |
| 503 | T | 96.6 | Very high | 92.5 | Very high | 73 Ų | 73 | 70 Ų | 70 | 45% | 0.448 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 175.8 | -58.8 | 0 | 0 | 0 | 0 | 111.4 | K499 R500 K505 Q506 Q507 | K499-T503 PolarHBondContact O-N 2.85Å; K499-T503 VanDerWaalsContact O-N 3.14Å; K499-T503 PolarHBondContact O-OG1 3.4Å; R500-T503 PolarHBondContact O-N 3.35Å; R500-T503 VanDerWaalsContact O-N 3.16Å; T503-K505 PolarHBondContact O-N 3.02Å; T503-Q506 PolarHBondContact O-N 3.38Å; T503-Q506 VanDerWaalsContact O-N 3.17Å; T503-Q507 WeakPolarHBondContact O-CG 3.4Å; T503-Q507 PolarHBondContact O-N 2.81Å |
| 504 | W | 96.9 | Very high | 91.4 | Very high | 50 Ų | 50 | 76 Ų | 76 | 19% | 0.189 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.2 | -40 | 175.9 | -63.4 | -26.9 | 0 | 0 | 0 | 112.5 | T457 M460 C464 R500 L501 Q506 Q507 V508 | T457-W504 HydrophobicContact CG2-CH2 4.11Å; T457-W504 HydrophobicContact CG2-CZ3 3.99Å; T457-W504 VanDerWaalsContact O-CH2 3.32Å; T457-W504 WeakPolarHBondContact O-CH2 3.37Å; T457-W504 VanDerWaalsContact O-CZ3 3.27Å; T457-W504 WeakPolarHBondContact O-CZ3 3.48Å; M460-W504 HydrophobicContact CB-CZ3 4.23Å; C464-W504 HydrophobicContact CB-CB 4.17Å; C464-W504 HydrophobicContact CB-CD2 4.32Å; C464-W504 HydrophobicContact CB-CG 3.98Å; C464-W504 VanDerWaalsContact SG-CB 3.56Å; R500-W504 HydrophobicContact CB-CH2 4.18Å; R500-W504 HydrophobicContact CB-CZ2 4.28Å; R500-W504 HydrophobicContact CB-CZ3 4.39Å; R500-W504 PolarHBondContact O-N 3.25Å; L501-W504 HydrophobicContact CD2-CE3 4Å; L501-W504 HydrophobicContact CD2-CZ3 4.1Å; L501-W504 HydrophobicContact CG-CE3 4.46Å; L501-W504 HydrophobicContact CG-CZ3 4.49Å; L501-W504 PolarHBondContact O-N 3.42Å; W504-Q506 VanDerWaalsContact C-N 3.3Å; W504-Q506 PolarHBondContact O-N 2.92Å; W504-Q507 PolarHBondContact O-N 3.12Å; W504-V508 PolarHBondContact O-N 3.01Å |
| 505 | K | 96.4 | Very high | 89.9 | Confident | 46 Ų | 46 | 78.3 Ų | 78.3 | 20% | 0.2 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -53.9 | -45.7 | 170.9 | -168.3 | -178.4 | 179.8 | 172.8 | 0 | 111.6 | L481 I484 E485 L501 V502 T503 L509 | L481-K505 HydrophobicContact CD2-CG 3.83Å; I484-K505 HydrophobicContact CD1-CB 3.96Å; I484-K505 HydrophobicContact CG2-CB 4.24Å; I484-K505 HydrophobicContact CG2-CD 4.01Å; I484-K505 HydrophobicContact CG2-CG 4.37Å; E485-K505 WeakPolarHBondContact OE1-CE 3.4Å; E485-K505 IonicContact OE1-NZ 3.55Å; E485-K505 PolarHBondContact OE1-NZ 2.95Å; E485-K505 IonicContact OE2-NZ 3.59Å; E485-K505 PolarHBondContact OE2-NZ 2.93Å; L501-K505 WeakPolarHBondContact O-CB 3.48Å; L501-K505 PolarHBondContact O-N 3.25Å; V502-K505 WeakPolarHBondContact O-CB 3.49Å; V502-K505 PolarHBondContact O-N 3.46Å; T503-K505 PolarHBondContact O-N 3.02Å; K505-L509 HydrophobicContact CG-CD1 4.02Å; K505-L509 VanDerWaalsContact O-CB 3.28Å; K505-L509 WeakPolarHBondContact O-CB 3.3Å; K505-L509 WeakPolarHBondContact O-CG 3.37Å; K505-L509 PolarHBondContact O-N 2.97Å |
| 506 | Q | 95.6 | Very high | 87.7 | Confident | 129 Ų | 129 | 79.1 Ų | 79.1 | 60% | 0.603 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -68.2 | -38.2 | 179.1 | -68.7 | 177.7 | 28 | 0 | 0 | 112.6 | V502 T503 W504 K510 | V502-Q506 WeakPolarHBondContact O-CG 3.42Å; V502-Q506 PolarHBondContact O-N 2.85Å; T503-Q506 PolarHBondContact O-N 3.38Å; T503-Q506 VanDerWaalsContact O-N 3.17Å; W504-Q506 VanDerWaalsContact C-N 3.3Å; W504-Q506 PolarHBondContact O-N 2.92Å; Q506-K510 WeakPolarHBondContact O-CB 3.2Å; Q506-K510 PolarHBondContact O-N 2.84Å |
| 507 | Q | 92.3 | Very high | 85.4 | Confident | 81 Ų | 81 | 84 Ų | 84 | 38% | 0.379 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.1 | -50 | 175.9 | -71.2 | 172.5 | -25.1 | 0 | 0 | 111.6 | L468 T503 W504 L509 K510 L511 | L468-Q507 HydrophobicContact CD1-CB 4.14Å; L468-Q507 HydrophobicContact CD2-CB 4.22Å; T503-Q507 WeakPolarHBondContact O-CG 3.4Å; T503-Q507 PolarHBondContact O-N 2.81Å; W504-Q507 PolarHBondContact O-N 3.12Å; Q507-L509 PolarHBondContact O-N 3.29Å; Q507-K510 WeakPolarHBondContact O-CB 3.47Å; Q507-K510 PolarHBondContact O-N 2.89Å; Q507-K510 VanDerWaalsContact O-N 3.13Å; Q507-L511 PolarHBondContact O-N 3.05Å |
| 508 | V | 91.3 | Very high | 82.8 | Confident | 1 Ų | 1 | 92.5 Ų | 92.5 | 1% | 0.006 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -65.3 | -38.7 | 178.3 | 175.4 | 0 | 0 | 0 | 0 | 111.6 | L468 I477 Y480 L481 W504 K510 L511 L512 | L468-V508 HydrophobicContact CD2-CG2 4.49Å; I477-V508 HydrophobicContact CB-CG1 4.43Å; I477-V508 HydrophobicContact CG1-CG1 4.19Å; I477-V508 HydrophobicContact CG2-CG1 3.72Å; Y480-V508 HydrophobicContact CD1-CG2 4.09Å; Y480-V508 HydrophobicContact CE1-CG2 3.93Å; L481-V508 HydrophobicContact CD2-CG1 4.46Å; W504-V508 PolarHBondContact O-N 3.01Å; V508-K510 VanDerWaalsContact C-N 3.32Å; V508-K510 PolarHBondContact O-N 3.4Å; V508-L511 PolarHBondContact O-N 3.27Å; V508-L512 PolarHBondContact O-N 3.23Å |
| 509 | L | 90.4 | Very high | 80.1 | Confident | 52 Ų | 52 | 95.3 Ų | 95.3 | 27% | 0.272 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.7 | -26.8 | 173 | -72.7 | 173.1 | 0 | 0 | 0 | 113.5 | L481 K505 Q507 R513 | L481-L509 HydrophobicContact CD1-CD2 3.87Å; L481-L509 HydrophobicContact CD1-CG 4.49Å; L481-L509 HydrophobicContact CD2-CD2 4.34Å; L481-L509 HydrophobicContact CD2-CG 4.1Å; K505-L509 HydrophobicContact CG-CD1 4.02Å; K505-L509 VanDerWaalsContact O-CB 3.28Å; K505-L509 WeakPolarHBondContact O-CB 3.3Å; K505-L509 WeakPolarHBondContact O-CG 3.37Å; K505-L509 PolarHBondContact O-N 2.97Å; Q507-L509 PolarHBondContact O-N 3.29Å; L509-R513 WeakPolarHBondContact O-CD 3.24Å; L509-R513 VanDerWaalsContact O-CG 3.26Å; L509-R513 WeakPolarHBondContact O-CG 3.33Å; L509-R513 PolarHBondContact O-N 3.47Å |
| 510 | K | 88.2 | Confident | 77.1 | Confident | 139 Ų | 139 | 97.8 Ų | 97.8 | 60% | 0.604 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -71.6 | -44.7 | 171.3 | -175.7 | -179.3 | 177.4 | -175.6 | 0 | 110.4 | Q506 Q507 V508 L512 R513 L514 | Q506-K510 WeakPolarHBondContact O-CB 3.2Å; Q506-K510 PolarHBondContact O-N 2.84Å; Q507-K510 WeakPolarHBondContact O-CB 3.47Å; Q507-K510 PolarHBondContact O-N 2.89Å; Q507-K510 VanDerWaalsContact O-N 3.13Å; V508-K510 VanDerWaalsContact C-N 3.32Å; V508-K510 PolarHBondContact O-N 3.4Å; K510-L512 PolarHBondContact O-N 2.84Å; K510-R513 WeakPolarHBondContact O-CB 3.27Å; K510-R513 PolarHBondContact O-N 3.18Å; K510-L514 WeakPolarHBondContact O-CG 3.37Å; K510-L514 PolarHBondContact O-N 2.85Å |
| 511 | L | 80.4 | Confident | 74.5 | Confident | 29 Ų | 29 | 96.5 Ų | 96.5 | 15% | 0.152 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -55.3 | -49.5 | 173.7 | 177.7 | 141.4 | 0 | 0 | 0 | 110.9 | L468 P472 I477 Q507 V508 R513 L514 F515 | L468-L511 HydrophobicContact CD2-CB 4.27Å; L468-L511 HydrophobicContact CD2-CD1 3.92Å; P472-L511 HydrophobicContact CB-CD2 4.29Å; I477-L511 HydrophobicContact CD1-CD2 3.99Å; Q507-L511 PolarHBondContact O-N 3.05Å; V508-L511 PolarHBondContact O-N 3.27Å; L511-R513 PolarHBondContact O-N 2.93Å; L511-R513 VanDerWaalsContact O-N 3.08Å; L511-L514 PolarHBondContact O-N 3.49Å; L511-F515 HydrophobicContact CD2-CE2 3.7Å; L511-F515 HydrophobicContact CD2-CZ 4.41Å; L511-F515 HydrophobicContact CG-CE2 3.87Å; L511-F515 HydrophobicContact CG-CZ 4.4Å; L511-F515 WeakPolarHBondContact O-CD2 3.34Å; L511-F515 WeakPolarHBondContact O-CE2 3.45Å |
| 512 | L | 80.1 | Confident | 71.5 | Confident | 57 Ų | 57 | 101.9 Ų | 101.9 | 30% | 0.298 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.2 | -20.6 | 176.9 | -166.1 | 69.9 | 0 | 0 | 0 | 114.3 | I477 V508 K510 | I477-L512 HydrophobicContact CD1-CD1 4.47Å; I477-L512 HydrophobicContact CG2-CD1 4.47Å; V508-L512 PolarHBondContact O-N 3.23Å; K510-L512 PolarHBondContact O-N 2.84Å |
| 513 | R | 79.4 | Confident | 68.9 | Low | 186 Ų | 186 | 106.5 Ų | 106.5 | 70% | 0.702 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -89.1 | -15.4 | 177.5 | -73.9 | 167.8 | 179.5 | 164.6 | -0.6 | 114 | L509 K510 L511 | L509-R513 WeakPolarHBondContact O-CD 3.24Å; L509-R513 VanDerWaalsContact O-CG 3.26Å; L509-R513 WeakPolarHBondContact O-CG 3.33Å; L509-R513 PolarHBondContact O-N 3.47Å; K510-R513 WeakPolarHBondContact O-CB 3.27Å; K510-R513 PolarHBondContact O-N 3.18Å; L511-R513 PolarHBondContact O-N 2.93Å; L511-R513 VanDerWaalsContact O-N 3.08Å |
| 514 | L | 70.7 | Confident | 66 | Low | 129 Ų | 129 | 107.2 Ų | 107.2 | 68% | 0.675 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -85.8 | -12.6 | -177.5 | -69.7 | 168.4 | 0 | 0 | 0 | 113.2 | K510 L511 | K510-L514 WeakPolarHBondContact O-CG 3.37Å; K510-L514 PolarHBondContact O-N 2.85Å; L511-L514 PolarHBondContact O-N 3.49Å |
| 515 | F | 62.3 | Low | 62.9 | Low | 96 Ų | 96 | 108.8 Ų | 108.8 | 42% | 0.421 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -80.1 | 134.5 | 177.7 | -65 | -72.7 | 0 | 0 | 0 | 112.4 | P472 L511 R517 | P472-F515 HydrophobicContact CB-CE2 4.15Å; P472-F515 HydrophobicContact CB-CZ 4.27Å; P472-F515 HydrophobicContact CG-CE1 3.96Å; P472-F515 HydrophobicContact CG-CE2 3.86Å; P472-F515 HydrophobicContact CG-CZ 3.56Å; L511-F515 HydrophobicContact CD2-CE2 3.7Å; L511-F515 HydrophobicContact CD2-CZ 4.41Å; L511-F515 HydrophobicContact CG-CE2 3.87Å; L511-F515 HydrophobicContact CG-CZ 4.4Å; L511-F515 WeakPolarHBondContact O-CD2 3.34Å; L511-F515 WeakPolarHBondContact O-CE2 3.45Å; F515-R517 PolarHBondContact O-N 3.32Å |
| 516 | P | 47.2 | Very low | 60.1 | Low | 127 Ų | 127 | 116.1 Ų | 116.1 | 83% | 0.825 | 59% | 0.59 | S | S | * | * | trans | -62 | 106.4 | 176.2 | -23.6 | 34.3 | 0 | 0 | 0 | 111.9 | K518 | P516-K518 PolarHBondContact O-N 2.97Š| ||
| 517 | R | 45.9 | Very low | 57.2 | Low | 191 Ų | 191 | 120.8 Ų | 120.8 | 72% | 0.721 | 60% | 0.602 | S | S | * | * | trans | -67.2 | 103.6 | 176.7 | -67.2 | -176.4 | 176.6 | -160.7 | -4.8 | 110.7 | F515 A519 | F515-R517 PolarHBondContact O-N 3.32Å; R517-A519 PolarHBondContact O-N 3.42Å | ||
| 518 | K | 38.7 | Very low | 54.7 | Low | 202 Ų | 202 | 124.7 Ų | 124.7 | 88% | 0.878 | 62% | 0.621 | S | S | * | * | trans | -58.9 | 130.1 | 151.1 | -76 | -174.8 | 176.2 | 179 | 0 | 107.3 | P516 M520 | P516-K518 PolarHBondContact O-N 2.97Å; K518-M520 PolarHBondContact O-N 3.43Å | ||
| 519 | A | 40.4 | Very low | 51.9 | Low | 98 Ų | 98 | 133.2 Ų | 133.2 | 81% | 0.81 | 66% | 0.658 | S | S | * | * | trans | -68 | 121.9 | -166.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R517 | R517-A519 PolarHBondContact O-N 3.42Š| ||
| 520 | M | 35.1 | Very low | 49.1 | Very low | 174 Ų | 174 | 132.6 Ų | 132.6 | 86% | 0.857 | 66% | 0.663 | S | S | * | * | trans | -141.3 | 159.2 | 162.4 | -87.3 | -56.4 | -131 | 0 | 0 | 109 | K518 | K518-M520 PolarHBondContact O-N 3.43Š| ||
| 521 | P | 42.1 | Very low | 46.5 | Very low | 114 Ų | 114 | 137.1 Ų | 137.1 | 74% | 0.74 | 68% | 0.677 | S | S | * | * | trans | -93.7 | 176.5 | -145.8 | -8.1 | 28.8 | 0 | 0 | 0 | 115.2 | I523 | P521-I523 PolarHBondContact O-N 2.98Š| ||
| 522 | D | 34.7 | Very low | 44.1 | Very low | 112 Ų | 112 | 142.6 Ų | 142.6 | 60% | 0.599 | 71% | 0.707 | S | S | * | * | trans | -14 | 115.1 | 174.5 | -171.9 | 10.9 | 0 | 0 | 0 | 117.5 | S524 | D522-S524 PolarHBondContact O-N 3.24Å; D522-S524 WeakPolarHBondContact OD1-CB 3.17Å; D522-S524 PolarHBondContact OD1-N 3.04Å; D522-S524 PolarHBondContact OD1-OG 3.41Å; D522-S524 WeakPolarHBondContact OD2-CB 3.35Å; D522-S524 PolarHBondContact OD2-OG 3.4Å | ||
| 523 | I | 42.3 | Very low | 42 | Very low | 151 Ų | 151 | 148.5 Ų | 148.5 | 77% | 0.774 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -72.1 | -7 | 179.5 | -125.1 | 163.7 | 0 | 0 | 0 | 112.9 | P521 A525 | P521-I523 PolarHBondContact O-N 2.98Å; I523-A525 PolarHBondContact O-N 3.16Å |
| 524 | S | 35.8 | Very low | 39.5 | Very low | 88 Ų | 88 | 142.9 Ų | 142.9 | 62% | 0.615 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -67.7 | -16.8 | 176.1 | -49.2 | 0 | 0 | 0 | 0 | 113.8 | D522 Y526 | D522-S524 PolarHBondContact O-N 3.24Å; D522-S524 WeakPolarHBondContact OD1-CB 3.17Å; D522-S524 PolarHBondContact OD1-N 3.04Å; D522-S524 PolarHBondContact OD1-OG 3.41Å; D522-S524 WeakPolarHBondContact OD2-CB 3.35Å; D522-S524 PolarHBondContact OD2-OG 3.4Å; S524-Y526 PolarHBondContact O-N 2.84Å |
| 525 | A | 31.4 | Very low | 37.5 | Very low | 82 Ų | 82 | 142.5 Ų | 142.5 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -74.7 | -19.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | I523 R527 | I523-A525 PolarHBondContact O-N 3.16Å; A525-R527 VanDerWaalsContact C-N 3.26Å; A525-R527 PolarHBondContact O-N 3.31Å; A525-R527 VanDerWaalsContact O-N 3.11Å |
| 526 | Y | 38.1 | Very low | 35.9 | Very low | 201 Ų | 201 | 146.1 Ų | 146.1 | 79% | 0.788 | 76% | 0.757 | S | S | * | * | trans | -87.6 | 37.1 | -172.7 | -122 | -96.4 | 0 | 0 | 0 | 114.9 | S524 | S524-Y526 PolarHBondContact O-N 2.84Š| ||
| 527 | R | 34.7 | Very low | 35 | Very low | 227 Ų | 227 | 145.7 Ų | 145.7 | 86% | 0.857 | 76% | 0.758 | S | S | * | * | trans | -72 | 130.5 | 161.1 | -92.4 | -166.2 | 176.2 | -146.2 | 1.2 | 109.8 | A525 | A525-R527 VanDerWaalsContact C-N 3.26Å; A525-R527 PolarHBondContact O-N 3.31Å; A525-R527 VanDerWaalsContact O-N 3.11Å | ||
| 528 | Q | 39.5 | Very low | 34.4 | Very low | 163 Ų | 163 | 144.7 Ų | 144.7 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | trans | 58.9 | 77.4 | 159.5 | -64.8 | -65.2 | -9 | 0 | 0 | 117.4 | ||||
| 529 | K | 32.2 | Very low | 34.5 | Very low | 180 Ų | 180 | 140.6 Ų | 140.6 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | trans | -109.6 | 76.6 | 134.8 | -78.6 | -170.6 | 175.9 | 178.9 | 0 | 109.3 | ||||
| 530 | G | 31.1 | Very low | 33.8 | Very low | 38 Ų | 38 | 142.9 Ų | 142.9 | 39% | 0.392 | 76% | 0.764 | S | S | . | * | trans | -68.1 | 156.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | N532 | G530-N532 VanDerWaalsContact C-N 3.34Å; G530-N532 PolarHBondContact O-N 3.01Å | ||
| 531 | W | 35.1 | Very low | 33.5 | Very low | 234 Ų | 234 | 139.3 Ų | 139.3 | 89% | 0.886 | 76% | 0.762 | S | S | * | * | trans | -75.7 | 85 | 168.1 | -86.2 | 39.6 | 0 | 0 | 0 | 109.9 | Y533 | W531-Y533 PolarHBondContact O-N 3.19Š| ||
| 532 | N | 30.2 | Very low | 32.6 | Very low | 145 Ų | 145 | 137.2 Ų | 137.2 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | trans | -77.2 | 87 | 178 | -80.5 | 53.5 | 0 | 0 | 0 | 112 | G530 | G530-N532 VanDerWaalsContact C-N 3.34Å; G530-N532 PolarHBondContact O-N 3.01Å | ||
| 533 | Y | 34.9 | Very low | 32.2 | Very low | 181 Ų | 181 | 138 Ų | 138 | 71% | 0.71 | 78% | 0.775 | S | S | * | * | trans | -76.1 | 131.3 | 142.5 | -88.9 | -81.2 | 0 | 0 | 0 | 108.2 | W531 | W531-Y533 PolarHBondContact O-N 3.19Š| ||
| 534 | G | 28.1 | Very low | 31.5 | Very low | 67 Ų | 67 | 137.1 Ų | 137.1 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | trans | -80 | 151.5 | -152.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 535 | S | 26.9 | Very low | 31 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -133.8 | 136.9 | 155.5 | -75.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 536 | N | 29 | Very low | 30.8 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 92% | 0.92 | 80% | 0.796 | S | S | * | * | trans | -98.2 | 121.6 | -179.3 | -74.3 | -20.7 | 0 | 0 | 0 | 111.3 | ||||
| 537 | S | 30 | Very low | 30.1 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | -155.3 | 137.1 | 154.8 | 46.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 538 | L | 31.9 | Very low | 29.9 | Very low | 170 Ų | 170 | 128.1 Ų | 128.1 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | trans | -107.4 | 162.1 | 175.3 | -85.7 | 171.5 | 0 | 0 | 0 | 109.8 | ||||
| 539 | P | 41.2 | Very low | 29.4 | Very low | 115 Ų | 115 | 125.3 Ų | 125.3 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | trans | -89.1 | 154.3 | -154.1 | 34.2 | -37.2 | 0 | 0 | 0 | 115 | ||||
| 540 | T | 26.1 | Very low | 29.4 | Very low | 147 Ų | 147 | 127.9 Ų | 127.9 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | -97 | 140.8 | 158.6 | -58.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 541 | A | 28.9 | Very low | 29.4 | Very low | 98 Ų | 98 | 137.1 Ų | 137.1 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | trans | -120.6 | 155.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 542 | G | 23.7 | Very low | 29.1 | Very low | 71 Ų | 71 | 129.6 Ų | 129.6 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | trans | 104.9 | 112 | 153.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 543 | S | 25.3 | Very low | 29.1 | Very low | 128 Ų | 128 | 129.6 Ų | 129.6 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | -164.2 | 162.6 | 129.5 | -84 | 0 | 0 | 0 | 0 | 110 | |||||
| 544 | V | 27 | Very low | 28.9 | Very low | 133 Ų | 133 | 132.2 Ų | 132.2 | 81% | 0.806 | 82% | 0.817 | S | S | * | * | trans | -139.7 | 163.1 | -163.8 | -68.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 545 | S | 26 | Very low | 29 | Very low | 120 Ų | 120 | 134.1 Ų | 134.1 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | trans | 78.4 | 149.7 | 157.1 | 80.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 546 | G | 26.3 | Very low | 29.2 | Very low | 83 Ų | 83 | 136.8 Ų | 136.8 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | trans | 82.1 | 144 | 167 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 547 | G | 25 | Very low | 30.1 | Very low | 72 Ų | 72 | 133.5 Ų | 133.5 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | cis | 147.9 | 134.8 | -11.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 548 | V | 29.2 | Very low | 30.2 | Very low | 133 Ų | 133 | 136 Ų | 136 | 81% | 0.806 | 79% | 0.794 | S | S | * | * | trans | 78.9 | 119.2 | 164.5 | -172.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 549 | S | 28.7 | Very low | 30.3 | Very low | 105 Ų | 105 | 134 Ų | 134 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | -0.8 | 166.5 | 146.9 | -40.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 550 | R | 33.2 | Very low | 31.1 | Very low | 234 Ų | 234 | 134.2 Ų | 134.2 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | cis | -156.6 | 179.6 | 33.7 | -41.5 | 167.1 | -175.1 | -173.5 | -1.1 | 108.6 | ||||
| 551 | R | 30.8 | Very low | 31.6 | Very low | 231 Ų | 231 | 139.6 Ų | 139.6 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | cis | -162.8 | 155.3 | -2 | -158.3 | -173.8 | -179.4 | -178.4 | 1.2 | 109.2 | ||||
| 552 | G | 28.5 | Very low | 31.6 | Very low | 77 Ų | 77 | 138.3 Ų | 138.3 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | 167.7 | 133.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 553 | Q | 31.2 | Very low | 32.1 | Very low | 145 Ų | 145 | 143.1 Ų | 143.1 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | trans | -154.3 | 129.4 | -161.6 | 178.5 | -176.7 | -14 | 0 | 0 | 116.3 | ||||
| 554 | R | 30.9 | Very low | 33.2 | Very low | 235 Ų | 235 | 143.2 Ų | 143.2 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | trans | -176.6 | 146.4 | 153.3 | -101.6 | 165.2 | -165.9 | -101.6 | 2.7 | 108.6 | ||||
| 555 | Q | 28.6 | Very low | 33.7 | Very low | 108 Ų | 108 | 142.1 Ų | 142.1 | 51% | 0.505 | 80% | 0.801 | S | S | . | * | cis | 76.4 | 132.1 | 6.8 | -57 | 173.3 | -53.2 | 0 | 0 | 115.8 | ||||
| 556 | F | 31.2 | Very low | 33.9 | Very low | 177 Ų | 177 | 139.9 Ų | 139.9 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | cis | -164.1 | -168.2 | -0.7 | -99.9 | -39.9 | 0 | 0 | 0 | 107.4 | ||||
| 557 | P | 47.8 | Very low | 34.3 | Very low | 102 Ų | 102 | 147.3 Ų | 147.3 | 66% | 0.662 | 80% | 0.798 | S | S | * | * | -136.3 | 163 | -55.4 | 40.4 | -24.2 | 0 | 0 | 0 | 116.3 | |||||
| 558 | M | 32.8 | Very low | 34.8 | Very low | 173 Ų | 173 | 151.5 Ų | 151.5 | 85% | 0.852 | 80% | 0.801 | S | S | * | * | trans | 57.7 | -178.7 | 151.5 | -64.6 | -63.8 | -176.8 | 0 | 0 | 118.9 | ||||
| 559 | T | 34.2 | Very low | 34.8 | Very low | 128 Ų | 128 | 151 Ų | 151 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | cis | -154.7 | 162.8 | -4.1 | -8.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 560 | P | 58.7 | Low | 35.1 | Very low | 119 Ų | 119 | 154 Ų | 154 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -116.4 | 173.4 | -173.1 | 41.7 | -32.7 | 0 | 0 | 0 | 117.5 | ||||
| 561 | R | 35.2 | Very low | 36.1 | Very low | 259 Ų | 259 | 148.6 Ų | 148.6 | 98% | 0.977 | 80% | 0.804 | S | S | * | * | trans | 132.9 | 135.4 | 145.6 | -169.9 | 178.9 | -165.1 | 165 | 3.3 | 116 | ||||
| 562 | G | 29.3 | Very low | 35.9 | Very low | 71 Ų | 71 | 141.5 Ų | 141.5 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | trans | 162 | 143.5 | 164 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 563 | L | 35.2 | Very low | 35.9 | Very low | 173 Ų | 173 | 141.2 Ų | 141.2 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | trans | -138.9 | 160.9 | 168.4 | -75.5 | 174.1 | 0 | 0 | 0 | 108.7 | ||||
| 564 | P | 47.6 | Very low | 35.9 | Very low | 130 Ų | 130 | 143 Ų | 143 | 84% | 0.844 | 81% | 0.812 | S | S | * | * | -146.2 | -165.5 | 111 | 37.3 | -19.4 | 0 | 0 | 0 | 114.8 | |||||
| 565 | A | 36.5 | Very low | 35.8 | Very low | 110 Ų | 110 | 135.7 Ų | 135.7 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | trans | -155.3 | 178.9 | -152.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 566 | G | 30.5 | Very low | 35.8 | Very low | 73 Ų | 73 | 134.1 Ų | 134.1 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | trans | 143.1 | 150.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 567 | R | 35.9 | Very low | 35.7 | Very low | 238 Ų | 238 | 130.9 Ų | 130.9 | 90% | 0.898 | 83% | 0.829 | S | S | * | * | cis | -169.2 | 161.6 | 2.9 | -102.7 | -174 | 177.4 | -163.9 | -0.5 | 106.7 | ||||
| 568 | M | 35.6 | Very low | 34.9 | Very low | 161 Ų | 161 | 131.6 Ų | 131.6 | 79% | 0.793 | 84% | 0.836 | S | S | * | * | cis | -167.5 | -175 | -11.2 | -153.2 | 65.9 | 176.6 | 0 | 0 | 109 | ||||
| 569 | C | 27.9 | Very low | 35.7 | Very low | 123 Ų | 123 | 128.3 Ų | 128.3 | 83% | 0.831 | 83% | 0.828 | S | S | * | * | trans | 84.3 | 162 | 161.6 | -62.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 570 | L | 34.8 | Very low | 35.4 | Very low | 167 Ų | 167 | 132.2 Ų | 132.2 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | trans | -164.7 | 178.5 | -154.9 | -96.3 | 159.5 | 0 | 0 | 0 | 108.7 | ||||
| 571 | P | 54.1 | Low | 33.9 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 78% | 0.779 | 82% | 0.823 | S | S | * | * | cis | -134.5 | 176.2 | -7.4 | 38.6 | -20.7 | 0 | 0 | 0 | 116.7 | ||||
| 572 | G | 28.6 | Very low | 33.4 | Very low | 83 Ų | 83 | 127.8 Ų | 127.8 | 86% | 0.856 | 82% | 0.818 | S | S | * | * | trans | 116.7 | 135.3 | 152.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 573 | G | 27.4 | Very low | 33.4 | Very low | 71 Ų | 71 | 132.3 Ų | 132.3 | 73% | 0.732 | 82% | 0.824 | S | S | * | * | cis | 176.6 | 166 | -9.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 574 | I | 32.3 | Very low | 33 | Very low | 182 Ų | 182 | 131.3 Ų | 131.3 | 93% | 0.933 | 83% | 0.826 | S | S | * | * | trans | 74.1 | 117.2 | 164.9 | -48.3 | 177.6 | 0 | 0 | 0 | 119.1 | ||||
| 575 | G | 28.1 | Very low | 32 | Very low | 81 Ų | 81 | 131.9 Ų | 131.9 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | trans | 86.8 | 134.6 | 152 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 576 | G | 29 | Very low | 32.1 | Very low | 76 Ų | 76 | 132.5 Ų | 132.5 | 78% | 0.784 | 82% | 0.817 | S | S | * | * | cis | 177.8 | 126.5 | -9.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 577 | A | 28.6 | Very low | 32 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 90% | 0.901 | 81% | 0.811 | S | S | * | * | trans | 46.5 | 110.7 | 159.7 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 578 | S | 31.8 | Very low | 31.8 | Very low | 116 Ų | 116 | 129.8 Ų | 129.8 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | trans | -119.7 | -176 | 134.8 | -146.2 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 579 | P | 48.9 | Very low | 31.3 | Very low | 104 Ų | 104 | 127.1 Ų | 127.1 | 68% | 0.675 | 82% | 0.816 | S | S | * | * | cis | -135.5 | -169.8 | -9.4 | 31.5 | -8.3 | 0 | 0 | 0 | 113.8 | ||||
| 580 | R | 28 | Very low | 31.3 | Very low | 211 Ų | 211 | 125.1 Ų | 125.1 | 80% | 0.796 | 82% | 0.816 | S | S | * | * | 144.7 | 130.4 | 126 | -73.3 | -164.6 | 106.4 | 146.9 | -0.4 | 117.2 | |||||
| 581 | H | 27.7 | Very low | 31.3 | Very low | 141 Ų | 141 | 126.9 Ų | 126.9 | 65% | 0.653 | 82% | 0.82 | S | S | * | * | trans | -17 | 155.1 | 162.5 | -23.9 | -92.4 | 0 | 0 | 0 | 121.9 | ||||
| 582 | T | 24.9 | Very low | 29.9 | Very low | 144 Ų | 144 | 124.9 Ų | 124.9 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | -160.1 | 173.8 | 99.8 | 14.4 | 0 | 0 | 0 | 0 | 112 | |||||
| 583 | L | 28.7 | Very low | 30.1 | Very low | 165 Ų | 165 | 131.4 Ų | 131.4 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | trans | -110.4 | 149.5 | -171.5 | -55.1 | 109.6 | 0 | 0 | 0 | 113.1 | ||||
| 584 | T | 26.3 | Very low | 30.3 | Very low | 152 Ų | 152 | 137.4 Ų | 137.4 | 93% | 0.933 | 83% | 0.829 | S | S | * | * | trans | -148.6 | 151.1 | 143.6 | 25.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 585 | N | 26.7 | Very low | 30.1 | Very low | 143 Ų | 143 | 134.2 Ų | 134.2 | 77% | 0.765 | 81% | 0.813 | S | S | * | * | trans | -145 | 145 | 178.5 | -172.6 | 58.3 | 0 | 0 | 0 | 108.6 | ||||
| 586 | P | 39.6 | Very low | 30.3 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | trans | -128.9 | 174.9 | 140.7 | 35.6 | -24.5 | 0 | 0 | 0 | 112.4 | ||||
| 587 | A | 27.2 | Very low | 30.8 | Very low | 78 Ų | 78 | 145 Ų | 145 | 65% | 0.645 | 82% | 0.817 | S | S | * | * | trans | -112 | 159.1 | -153.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 588 | L | 31.4 | Very low | 31 | Very low | 175 Ų | 175 | 150.2 Ų | 150.2 | 92% | 0.916 | 82% | 0.82 | S | S | * | * | trans | 33.5 | 123.9 | 155.4 | -80.3 | 86.6 | 0 | 0 | 0 | 120.1 | ||||
| 589 | A | 25.8 | Very low | 30.9 | Very low | 106 Ų | 106 | 148.1 Ų | 148.1 | 88% | 0.876 | 81% | 0.81 | S | S | * | * | -176.3 | 163.3 | 108.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 590 | G | 27.2 | Very low | 30.1 | Very low | 80 Ų | 80 | 150.9 Ų | 150.9 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | 106.8 | 125.7 | 155.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 591 | Q | 35.1 | Very low | 30.4 | Very low | 205 Ų | 205 | 147 Ų | 147 | 96% | 0.958 | 82% | 0.821 | S | S | * | * | trans | -90.1 | 136.4 | 161.9 | -69.1 | -177 | -43.6 | 0 | 0 | 109.8 | ||||
| 592 | G | 25.8 | Very low | 30.4 | Very low | 78 Ų | 78 | 144.3 Ų | 144.3 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | trans | -111.4 | 108.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 593 | R | 31.5 | Very low | 30.5 | Very low | 220 Ų | 220 | 141.3 Ų | 141.3 | 83% | 0.83 | 83% | 0.829 | S | S | * | * | trans | -82.8 | 123.6 | 163.8 | -83.7 | 175.1 | 159.5 | -104.7 | 2.2 | 108.8 | N595 | R593-N595 VanDerWaalsContact C-N 3.34Å; R593-N595 PolarHBondContact O-N 3.18Å; R593-N595 VanDerWaalsContact O-N 3.11Å | ||
| 594 | Q | 31.2 | Very low | 30.5 | Very low | 197 Ų | 197 | 138.7 Ų | 138.7 | 92% | 0.921 | 82% | 0.824 | S | S | * | * | trans | -83.1 | 81.9 | 168.9 | -70 | -177 | -11 | 0 | 0 | 109.9 | ||||
| 595 | N | 29.2 | Very low | 30.5 | Very low | 114 Ų | 114 | 139.2 Ų | 139.2 | 61% | 0.61 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 127.9 | 155.2 | -67.5 | -0.1 | 0 | 0 | 0 | 106.8 | R593 | R593-N595 VanDerWaalsContact C-N 3.34Å; R593-N595 PolarHBondContact O-N 3.18Å; R593-N595 VanDerWaalsContact O-N 3.11Å |
| 596 | L | 32.5 | Very low | 30.6 | Very low | 171 Ų | 171 | 137.9 Ų | 137.9 | 90% | 0.895 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 149.6 | 164.2 | -72.8 | 168 | 0 | 0 | 0 | 109.4 | ||
| 597 | W | 38.8 | Very low | 30.1 | Very low | 212 Ų | 212 | 140.1 Ų | 140.1 | 80% | 0.803 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 146.7 | -151.3 | -70.6 | 80.3 | 0 | 0 | 0 | 114.8 | A599 | W597-A599 HydrophobicContact CE3-CB 3.86Å; W597-A599 HydrophobicContact CZ3-CB 4.16Å |
| 598 | F | 33.3 | Very low | 30.4 | Very low | 220 Ų | 220 | 142.4 Ų | 142.4 | 97% | 0.965 | 83% | 0.834 | S | S | * | * | trans | -135.4 | 109.3 | 141.7 | -77.4 | -76.9 | 0 | 0 | 0 | 107.5 | ||||
| 599 | A | 29.1 | Very low | 30.2 | Very low | 71 Ų | 71 | 138.4 Ų | 138.4 | 59% | 0.587 | 82% | 0.82 | S | S | * | * | trans | -155.1 | 119.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | W597 | W597-A599 HydrophobicContact CE3-CB 3.86Å; W597-A599 HydrophobicContact CZ3-CB 4.16Å | ||
| 600 | N | 32 | Very low | 30.3 | Very low | 163 Ų | 163 | 142.1 Ų | 142.1 | 87% | 0.872 | 82% | 0.819 | S | S | * | * | trans | -95 | 152.1 | 167.7 | -86.3 | -21.3 | 0 | 0 | 0 | 110.4 | ||||
| 601 | P | 35 | Very low | 30.2 | Very low | 128 Ų | 128 | 142.6 Ų | 142.6 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | trans | -85.8 | 134.8 | 179.5 | 32.9 | -33.5 | 0 | 0 | 0 | 113.3 | ||||
| 602 | G | 27.1 | Very low | 29.7 | Very low | 85 Ų | 85 | 144.2 Ų | 144.2 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | trans | 100.3 | 140.3 | 156.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 603 | G | 27.7 | Very low | 29.8 | Very low | 81 Ų | 81 | 146.1 Ų | 146.1 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | 121.6 | 90.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 604 | S | 27.1 | Very low | 29.5 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -78.1 | 144 | 173.5 | -52.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 605 | N | 27.4 | Very low | 29.3 | Very low | 164 Ų | 164 | 138 Ų | 138 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | -175.8 | 167.5 | 123.3 | -93.6 | -31.7 | 0 | 0 | 0 | 113.9 | |||||
| 606 | S | 27.6 | Very low | 29.3 | Very low | 115 Ų | 115 | 142 Ų | 142 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -91.2 | 162 | -161.4 | -54.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 607 | M | 29.8 | Very low | 29.2 | Very low | 170 Ų | 170 | 144.9 Ų | 144.9 | 84% | 0.837 | 82% | 0.816 | S | S | * | * | trans | -59.7 | 158.3 | 162.1 | -76.5 | -172.1 | 133.9 | 0 | 0 | 112.5 | ||||
| 608 | P | 34.5 | Very low | 28.9 | Very low | 126 Ų | 126 | 141.3 Ų | 141.3 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | -136.5 | 174.7 | 104.7 | 39.4 | -30.2 | 0 | 0 | 0 | 114.7 | |||||
| 609 | S | 26.5 | Very low | 28.7 | Very low | 91 Ų | 91 | 138.9 Ų | 138.9 | 64% | 0.636 | 81% | 0.809 | S | S | * | * | trans | -113 | 174.7 | 179.3 | -59.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 610 | Q | 28 | Very low | 28.7 | Very low | 183 Ų | 183 | 139.9 Ų | 139.9 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | trans | 99.8 | 132.5 | 153.7 | -66.8 | -160.8 | 12.8 | 0 | 0 | 122.2 | ||||
| 611 | S | 24.1 | Very low | 28.4 | Very low | 91 Ų | 91 | 139.6 Ų | 139.6 | 64% | 0.636 | 81% | 0.809 | S | S | * | * | trans | 84.1 | 102.4 | 130.1 | -70.3 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 612 | R | 26.4 | Very low | 28.7 | Very low | 238 Ų | 238 | 138.9 Ų | 138.9 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | 66.7 | 153.1 | 123.1 | -72.7 | -172.4 | 167.8 | -142.9 | -3.4 | 122.6 | |||||
| 613 | S | 25.9 | Very low | 29 | Very low | 118 Ų | 118 | 140.5 Ų | 140.5 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | 75.9 | 147.7 | 165.5 | 73.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 614 | S | 26.6 | Very low | 29 | Very low | 117 Ų | 117 | 145.1 Ų | 145.1 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | cis | -153.9 | 167 | -8.1 | 30.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 615 | V | 27.5 | Very low | 29 | Very low | 130 Ų | 130 | 145.3 Ų | 145.3 | 79% | 0.788 | 79% | 0.793 | S | S | * | * | trans | -84 | 144.7 | -174.2 | 174.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 616 | Q | 28.2 | Very low | 29 | Very low | 199 Ų | 199 | 142.5 Ų | 142.5 | 93% | 0.93 | 79% | 0.787 | S | S | * | * | trans | -147.1 | 160.9 | 145.9 | -111.2 | 172.1 | 4.5 | 0 | 0 | 111.3 | ||||
| 617 | R | 31 | Very low | 29.6 | Very low | 230 Ų | 230 | 142.3 Ų | 142.3 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | trans | -155.1 | 120.8 | -157.2 | -178.2 | -159.7 | -145.7 | 142.2 | 5.2 | 114.1 | ||||
| 618 | T | 31.9 | Very low | 29.6 | Very low | 138 Ų | 138 | 143.5 Ų | 143.5 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | trans | -162.9 | 151.5 | 170.4 | 45.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 619 | H | 29.2 | Very low | 29.3 | Very low | 168 Ų | 168 | 144.3 Ų | 144.3 | 78% | 0.778 | 79% | 0.789 | S | S | * | * | cis | -166 | 139.4 | -29.8 | -161.2 | -86.4 | 0 | 0 | 0 | 108.5 | ||||
| 620 | S | 28.5 | Very low | 29.5 | Very low | 92 Ų | 92 | 147.7 Ų | 147.7 | 64% | 0.643 | 80% | 0.797 | S | S | * | * | trans | 41.2 | 117.2 | 162.4 | 56.7 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 621 | L | 26.5 | Very low | 29.6 | Very low | 158 Ų | 158 | 145.5 Ų | 145.5 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | 22.6 | 162.8 | 114.7 | -73.7 | 171.8 | 0 | 0 | 0 | 122.3 | |||||
| 622 | P | 41.8 | Very low | 29.8 | Very low | 113 Ų | 113 | 148.5 Ų | 148.5 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | cis | -139.7 | 161.2 | 0.7 | 34.8 | -13.3 | 0 | 0 | 0 | 119.9 | ||||
| 623 | V | 32.6 | Very low | 29.8 | Very low | 118 Ų | 118 | 145.1 Ų | 145.1 | 72% | 0.715 | 79% | 0.788 | S | S | * | * | trans | -0.2 | 139.3 | 143.6 | -173.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 624 | H | 27.3 | Very low | 29.8 | Very low | 178 Ų | 178 | 146.1 Ų | 146.1 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | -152.7 | 158.5 | 134.7 | -136.7 | -87.4 | 0 | 0 | 0 | 115.4 | ||||
| 625 | T | 28.8 | Very low | 29.8 | Very low | 114 Ų | 114 | 147.3 Ų | 147.3 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | -99.7 | 174.2 | 175.9 | 55.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 626 | S | 27.3 | Very low | 29.7 | Very low | 106 Ų | 106 | 149.8 Ų | 149.8 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | cis | -160.2 | 178 | 29.8 | 63.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 627 | P | 40.1 | Very low | 29.5 | Very low | 111 Ų | 111 | 147.5 Ų | 147.5 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | trans | -106 | 148.3 | -177.9 | 38 | -30.7 | 0 | 0 | 0 | 114.8 | ||||
| 628 | Q | 29 | Very low | 29.1 | Very low | 194 Ų | 194 | 141.3 Ų | 141.3 | 91% | 0.907 | 76% | 0.756 | S | S | * | * | trans | 172.1 | 121.9 | 144.4 | -100 | 164.1 | 16 | 0 | 0 | 112.6 | ||||
| 629 | T | 28.7 | Very low | 28.6 | Very low | 143 Ų | 143 | 142.7 Ų | 142.7 | 88% | 0.877 | 75% | 0.752 | S | S | * | * | trans | -166.9 | 135.3 | 139 | -71.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 630 | M | 29.3 | Very low | 28.5 | Very low | 162 Ų | 162 | 141.5 Ų | 141.5 | 80% | 0.798 | 76% | 0.757 | S | S | * | * | trans | -143.2 | 154.2 | 176.6 | -149.3 | -124.5 | -69 | 0 | 0 | 109.4 | ||||
| 631 | L | 31.2 | Very low | 28.7 | Very low | 138 Ų | 138 | 142.6 Ų | 142.6 | 72% | 0.723 | 76% | 0.762 | S | S | * | * | trans | 71.1 | 140.2 | -177.2 | -48.6 | 164 | 0 | 0 | 0 | 112.6 | ||||
| 632 | M | 27.4 | Very low | 28.8 | Very low | 153 Ų | 153 | 138.9 Ų | 138.9 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | cis | -154.4 | 161.9 | 32.4 | -100.7 | -153.6 | 172.2 | 0 | 0 | 114.3 | ||||
| 633 | F | 27 | Very low | 28 | Very low | 168 Ų | 168 | 139.3 Ų | 139.3 | 74% | 0.737 | 77% | 0.767 | S | S | * | * | trans | 67 | 153.3 | 160.5 | -84.7 | -126.5 | 0 | 0 | 0 | 119.2 | ||||
| 634 | Q | 26.1 | Very low | 28 | Very low | 139 Ų | 139 | 141 Ų | 141 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | cis | -162.1 | 109.7 | -29.2 | -178.9 | 164.4 | 46.1 | 0 | 0 | 112.5 | ||||
| 635 | Q | 26.1 | Very low | 28.5 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 66% | 0.659 | 77% | 0.765 | S | S | * | * | trans | 40 | 121.6 | 130.7 | -167.8 | 179.1 | 1.1 | 0 | 0 | 123.6 | E637 | Q635-E637 HydrophobicContact CG-CG 4.43Š| ||
| 636 | Q | 25.7 | Very low | 29 | Very low | 183 Ų | 183 | 140.7 Ų | 140.7 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | trans | -162.8 | 100.4 | 137.1 | -119.5 | 172.3 | -12.4 | 0 | 0 | 107.3 | ||||
| 637 | E | 24.3 | Very low | 29.6 | Very low | 150 Ų | 150 | 141.4 Ų | 141.4 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | 56.1 | 131.2 | 94.3 | -66 | -170.6 | 112.8 | 0 | 0 | 114.9 | Q635 | Q635-E637 HydrophobicContact CG-CG 4.43Š| |||
| 638 | C | 21.6 | Very low | 29.8 | Very low | 101 Ų | 101 | 139.9 Ų | 139.9 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | cis | -148.8 | 139.3 | 22.6 | -165.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 639 | Q | 22.5 | Very low | 30.9 | Very low | 166 Ų | 166 | 134.8 Ų | 134.8 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | trans | 14.4 | 132.4 | 153.7 | -55.7 | 172 | 28.2 | 0 | 0 | 123.2 | ||||
| 640 | V | 27 | Very low | 31.6 | Very low | 144 Ų | 144 | 132.3 Ų | 132.3 | 87% | 0.873 | 72% | 0.715 | S | S | * | * | -149.1 | 137.1 | 110.2 | -178.2 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 641 | P | 33.2 | Very low | 32.5 | Very low | 115 Ų | 115 | 129 Ų | 129 | 75% | 0.747 | 70% | 0.7 | S | S | * | * | trans | -97.4 | 161.8 | 172 | 37.7 | -33.6 | 0 | 0 | 0 | 113.1 | ||||
| 642 | G | 27.2 | Very low | 33.1 | Very low | 80 Ų | 80 | 128.9 Ų | 128.9 | 83% | 0.825 | 70% | 0.696 | S | S | * | * | cis | 139.8 | 102.2 | -4.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 643 | S | 26.8 | Very low | 34.2 | Very low | 122 Ų | 122 | 125.1 Ų | 125.1 | 85% | 0.853 | 69% | 0.685 | S | S | * | * | trans | -155.7 | 43.2 | 175.6 | 65.6 | 0 | 0 | 0 | 0 | 113 | L645 | S643-L645 PolarHBondContact O-N 3.11Š| ||
| 644 | D | 32.3 | Very low | 35.3 | Very low | 153 Ų | 153 | 122 Ų | 122 | 82% | 0.818 | 68% | 0.675 | S | S | * | * | trans | -89.4 | 100.5 | 172.7 | -166.9 | -3 | 0 | 0 | 0 | 109.7 | E646 | D644-E646 VanDerWaalsContact C-N 3.32Å; D644-E646 PolarHBondContact O-N 3.41Å | ||
| 645 | L | 36.6 | Very low | 36.5 | Very low | 127 Ų | 127 | 118.3 Ų | 118.3 | 67% | 0.665 | 66% | 0.664 | S | S | * | * | trans | -86.2 | 76.6 | 173.8 | -91.2 | 166.4 | 0 | 0 | 0 | 109.3 | S643 I647 | S643-L645 PolarHBondContact O-N 3.11Å; L645-I647 WeakPolarHBondContact O-CG1 3.5Å; L645-I647 PolarHBondContact O-N 3.09Å | ||
| 646 | E | 39.3 | Very low | 37.8 | Very low | 159 Ų | 159 | 114.9 Ų | 114.9 | 74% | 0.743 | 65% | 0.65 | S | S | * | * | trans | -56.8 | 103.3 | 175.6 | -174.1 | -176.6 | -143.3 | 0 | 0 | 110.3 | D644 N648 | D644-E646 VanDerWaalsContact C-N 3.32Å; D644-E646 PolarHBondContact O-N 3.41Å; E646-N648 PolarHBondContact O-N 3Å | ||
| 647 | I | 39.8 | Very low | 39 | Very low | 121 Ų | 121 | 108.4 Ų | 108.4 | 62% | 0.621 | 63% | 0.625 | S | S | * | * | trans | -79.3 | 56.7 | 176.8 | -48.6 | -173.6 | 0 | 0 | 0 | 110.6 | L645 L651 | L645-I647 WeakPolarHBondContact O-CG1 3.5Å; L645-I647 PolarHBondContact O-N 3.09Å; I647-L651 HydrophobicContact CG2-CD1 4.33Å | ||
| 648 | N | 45.9 | Very low | 40.3 | Very low | 78 Ų | 78 | 107.3 Ų | 107.3 | 42% | 0.417 | 62% | 0.622 | S | S | . | * | trans | 57.2 | 105.1 | 134.8 | -161.4 | -23.1 | 0 | 0 | 0 | 117 | E646 T650 L651 | E646-N648 PolarHBondContact O-N 3Å; N648-T650 PolarHBondContact ND2-OG1 3.03Å; N648-T650 PolarHBondContact O-N 3.34Å; N648-T650 WeakPolarHBondContact OD1-CB 3.49Å; N648-T650 WeakPolarHBondContact OD1-CG2 3.39Å; N648-T650 PolarHBondContact OD1-N 3.1Å; N648-T650 VanDerWaalsContact OD1-N 3.12Å; N648-T650 PolarHBondContact OD1-OG1 2.99Å; N648-L651 WeakPolarHBondContact O-CB 3.47Å; N648-L651 PolarHBondContact O-N 3.15Å | ||
| 649 | P | 51.2 | Low | 41.9 | Very low | 87 Ų | 87 | 105.3 Ų | 105.3 | 57% | 0.565 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -62.8 | -12 | 179.8 | 26.1 | -35.1 | 0 | 0 | 0 | 114.3 | L651 S653 | P649-L651 PolarHBondContact O-N 3.06Å; P649-S653 PolarHBondContact O-N 3.14Å |
| 650 | T | 43.8 | Very low | 43.5 | Very low | 92 Ų | 92 | 104.5 Ų | 104.5 | 56% | 0.564 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -66.1 | -26 | 169.7 | 65.6 | 0 | 0 | 0 | 0 | 112.9 | N648 S653 L654 | N648-T650 PolarHBondContact ND2-OG1 3.03Å; N648-T650 PolarHBondContact O-N 3.34Å; N648-T650 WeakPolarHBondContact OD1-CB 3.49Å; N648-T650 WeakPolarHBondContact OD1-CG2 3.39Å; N648-T650 PolarHBondContact OD1-N 3.1Å; N648-T650 VanDerWaalsContact OD1-N 3.12Å; N648-T650 PolarHBondContact OD1-OG1 2.99Å; T650-S653 PolarHBondContact O-N 3.1Å; T650-L654 WeakPolarHBondContact O-CB 3.43Å; T650-L654 PolarHBondContact O-N 3.25Å |
| 651 | L | 47.2 | Very low | 44.6 | Very low | 91 Ų | 91 | 104.1 Ų | 104.1 | 48% | 0.476 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -76 | -38.6 | -179.8 | -162.7 | 148 | 0 | 0 | 0 | 111.5 | I647 N648 P649 L654 C655 | I647-L651 HydrophobicContact CG2-CD1 4.33Å; N648-L651 WeakPolarHBondContact O-CB 3.47Å; N648-L651 PolarHBondContact O-N 3.15Å; P649-L651 PolarHBondContact O-N 3.06Å; L651-L654 PolarHBondContact O-N 3.14Å; L651-C655 PolarHBondContact O-N 3.3Å; L651-C655 PolarHBondContact O-SG 2.72Å |
| 652 | E | 44.5 | Very low | 45.4 | Very low | 136 Ų | 136 | 102.8 Ų | 102.8 | 64% | 0.636 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -59.4 | -47 | 167.5 | -64.1 | -161.3 | 139.8 | 0 | 0 | 111.1 | L654 C655 L656 | E652-L654 VanDerWaalsContact C-N 3.28Å; E652-L654 PolarHBondContact O-N 2.85Å; E652-C655 PolarHBondContact O-N 2.93Å; E652-L656 WeakPolarHBondContact O-CB 3.49Å; E652-L656 VanDerWaalsContact O-CG 3.28Å; E652-L656 WeakPolarHBondContact O-CG 3.44Å; E652-L656 PolarHBondContact O-N 3.24Å |
| 653 | S | 50.6 | Low | 46.5 | Very low | 75 Ų | 75 | 106 Ų | 106 | 52% | 0.524 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -60.5 | -35.9 | 177.3 | -166.7 | 0 | 0 | 0 | 0 | 112.6 | P649 T650 S657 | P649-S653 PolarHBondContact O-N 3.14Å; T650-S653 PolarHBondContact O-N 3.1Å; S653-S657 WeakPolarHBondContact O-CB 3.46Å; S653-S657 PolarHBondContact O-N 3.12Å |
| 654 | L | 50.5 | Low | 47.5 | Very low | 101 Ų | 101 | 102.9 Ų | 102.9 | 53% | 0.529 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -69.4 | -45 | 175.8 | -176.9 | 65.5 | 0 | 0 | 0 | 111.6 | T650 L651 E652 L656 S657 M658 | T650-L654 WeakPolarHBondContact O-CB 3.43Å; T650-L654 PolarHBondContact O-N 3.25Å; L651-L654 PolarHBondContact O-N 3.14Å; E652-L654 VanDerWaalsContact C-N 3.28Å; E652-L654 PolarHBondContact O-N 2.85Å; L654-L656 VanDerWaalsContact C-N 3.32Å; L654-L656 PolarHBondContact O-N 3.17Å; L654-S657 PolarHBondContact O-N 3.13Å; L654-M658 WeakPolarHBondContact O-CB 3.28Å; L654-M658 WeakPolarHBondContact O-CG 3.36Å; L654-M658 PolarHBondContact O-N 3.44Å |
| 655 | C | 50.6 | Low | 48.2 | Very low | 63 Ų | 63 | 103.6 Ų | 103.6 | 43% | 0.426 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.2 | -36.4 | 175.9 | -72.9 | 0 | 0 | 0 | 0 | 112.5 | L651 E652 T659 | L651-C655 PolarHBondContact O-N 3.3Å; L651-C655 PolarHBondContact O-SG 2.72Å; E652-C655 PolarHBondContact O-N 2.93Å; C655-T659 WeakPolarHBondContact O-CB 3.47Å; C655-T659 PolarHBondContact O-N 3.4Å; C655-T659 VanDerWaalsContact O-N 3.12Å; C655-T659 PolarHBondContact O-OG1 2.97Å |
| 656 | L | 52.4 | Low | 48.5 | Very low | 69 Ų | 69 | 100.8 Ų | 100.8 | 36% | 0.361 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.7 | -50.5 | 171.6 | -71.8 | 166.3 | 0 | 0 | 0 | 111 | F3 R4 E652 L654 M658 T659 E660 | F3-L656 HydrophobicContact CD1-CD2 4.39Å; R4-L656 HydrophobicContact CB-CD2 4.23Å; E652-L656 WeakPolarHBondContact O-CB 3.49Å; E652-L656 VanDerWaalsContact O-CG 3.28Å; E652-L656 WeakPolarHBondContact O-CG 3.44Å; E652-L656 PolarHBondContact O-N 3.24Å; L654-L656 VanDerWaalsContact C-N 3.32Å; L654-L656 PolarHBondContact O-N 3.17Å; L656-M658 PolarHBondContact O-N 2.78Å; L656-T659 WeakPolarHBondContact O-CB 3.46Å; L656-T659 PolarHBondContact O-N 2.94Å; L656-T659 VanDerWaalsContact O-N 3.14Å; L656-E660 PolarHBondContact O-N 2.68Å |
| 657 | S | 51.7 | Low | 48.5 | Very low | 46 Ų | 46 | 100 Ų | 100 | 32% | 0.322 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.7 | -42.8 | 179.1 | 178.5 | 0 | 0 | 0 | 0 | 113.1 | S653 L654 T659 E660 H661 | S653-S657 WeakPolarHBondContact O-CB 3.46Å; S653-S657 PolarHBondContact O-N 3.12Å; L654-S657 PolarHBondContact O-N 3.13Å; S657-T659 VanDerWaalsContact C-N 3.28Å; S657-T659 PolarHBondContact O-N 3.06Å; S657-E660 PolarHBondContact O-N 2.96Å; S657-H661 PolarHBondContact O-CD2 2.64Å; S657-H661 PolarHBondContact O-N 3.29Å |
| 658 | M | 51.4 | Low | 48.6 | Very low | 128 Ų | 128 | 101.2 Ų | 101.2 | 63% | 0.631 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.2 | -34.5 | 174.9 | -74.9 | -173.9 | 74.3 | 0 | 0 | 112.5 | L654 L656 A662 | L654-M658 WeakPolarHBondContact O-CB 3.28Å; L654-M658 WeakPolarHBondContact O-CG 3.36Å; L654-M658 PolarHBondContact O-N 3.44Å; L656-M658 PolarHBondContact O-N 2.78Å; M658-A662 VanDerWaalsContact O-CB 3.31Å; M658-A662 WeakPolarHBondContact O-CB 3.26Å; M658-A662 PolarHBondContact O-N 3.04Å |
| 659 | T | 56.4 | Low | 48.1 | Very low | 59 Ų | 59 | 109.1 Ų | 109.1 | 36% | 0.362 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -72.4 | -37 | 176.1 | -55.4 | 0 | 0 | 0 | 0 | 111.6 | C655 L656 S657 A662 L663 | C655-T659 WeakPolarHBondContact O-CB 3.47Å; C655-T659 PolarHBondContact O-N 3.4Å; C655-T659 VanDerWaalsContact O-N 3.12Å; C655-T659 PolarHBondContact O-OG1 2.97Å; L656-T659 WeakPolarHBondContact O-CB 3.46Å; L656-T659 PolarHBondContact O-N 2.94Å; L656-T659 VanDerWaalsContact O-N 3.14Å; S657-T659 VanDerWaalsContact C-N 3.28Å; S657-T659 PolarHBondContact O-N 3.06Å; T659-A662 PolarHBondContact O-N 3.27Å; T659-L663 HydrophobicContact CG2-CD1 4.44Å; T659-L663 WeakPolarHBondContact O-CG 3.48Å; T659-L663 PolarHBondContact O-N 2.79Å |
| 660 | E | 54.5 | Low | 47.5 | Very low | 148 Ų | 148 | 110.8 Ų | 110.8 | 69% | 0.692 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -63.7 | -47.5 | 174.9 | -173.2 | 170.6 | -166.4 | 0 | 0 | 111.4 | L656 S657 A662 L663 G664 | L656-E660 PolarHBondContact O-N 2.68Å; S657-E660 PolarHBondContact O-N 2.96Å; E660-A662 PolarHBondContact O-N 2.98Å; E660-L663 PolarHBondContact O-N 3.37Å; E660-G664 PolarHBondContact O-N 3.43Å |
| 661 | H | 51.4 | Low | 47.2 | Very low | 137 Ų | 137 | 111.6 Ų | 111.6 | 63% | 0.634 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -62.6 | -39.7 | 174.5 | -83.1 | -73.7 | 0 | 0 | 0 | 113 | S657 L663 G664 | S657-H661 PolarHBondContact O-CD2 2.64Å; S657-H661 PolarHBondContact O-N 3.29Å; H661-L663 PolarHBondContact O-N 2.7Å; H661-L663 VanDerWaalsContact O-N 3.12Å; H661-G664 PolarHBondContact O-N 3.39Å |
| 662 | A | 48.7 | Very low | 46.6 | Very low | 86 Ų | 86 | 113.4 Ų | 113.4 | 71% | 0.711 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -11.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | M658 T659 E660 | M658-A662 VanDerWaalsContact O-CB 3.31Å; M658-A662 WeakPolarHBondContact O-CB 3.26Å; M658-A662 PolarHBondContact O-N 3.04Å; T659-A662 PolarHBondContact O-N 3.27Å; E660-A662 PolarHBondContact O-N 2.98Å |
| 663 | L | 51 | Low | 46.1 | Very low | 149 Ų | 149 | 118.4 Ų | 118.4 | 78% | 0.78 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | -2.8 | 174.9 | -64.9 | 172.2 | 0 | 0 | 0 | 113.2 | T659 E660 H661 | T659-L663 HydrophobicContact CG2-CD1 4.44Å; T659-L663 WeakPolarHBondContact O-CG 3.48Å; T659-L663 PolarHBondContact O-N 2.79Å; E660-L663 PolarHBondContact O-N 3.37Å; H661-L663 PolarHBondContact O-N 2.7Å; H661-L663 VanDerWaalsContact O-N 3.12Å |
| 664 | G | 47.7 | Very low | 45.9 | Very low | 56 Ų | 56 | 120.6 Ų | 120.6 | 58% | 0.577 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -39.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | E660 H661 G666 | E660-G664 PolarHBondContact O-N 3.43Å; H661-G664 PolarHBondContact O-N 3.39Å; G664-G666 PolarHBondContact O-N 2.71Å; G664-G666 VanDerWaalsContact O-N 3.1Å |
| 665 | D | 47.1 | Very low | 45.6 | Very low | 168 Ų | 168 | 121.6 Ų | 121.6 | 90% | 0.898 | 70% | 0.695 | S | S | * | * | trans | -82.6 | 90.9 | -173.6 | -78.7 | -32.6 | 0 | 0 | 0 | 112.2 | ||||
| 666 | G | 42 | Very low | 45.4 | Very low | 68 Ų | 68 | 124.8 Ų | 124.8 | 70% | 0.701 | 71% | 0.71 | S | S | * | * | trans | -148.7 | 2.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | G664 | G664-G666 PolarHBondContact O-N 2.71Å; G664-G666 VanDerWaalsContact O-N 3.1Å | ||
| 667 | T | 39.6 | Very low | 44.9 | Very low | 141 Ų | 141 | 128.1 Ų | 128.1 | 87% | 0.865 | 73% | 0.73 | S | S | * | * | trans | -147 | 119.5 | 169.5 | 52.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 668 | D | 41.8 | Very low | 44.5 | Very low | 147 Ų | 147 | 133.3 Ų | 133.3 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | trans | -66.2 | 160.6 | -180 | -51.4 | -98.3 | 0 | 0 | 0 | 114.9 | ||||
| 669 | R | 35.7 | Very low | 44.1 | Very low | 245 Ų | 245 | 133.6 Ų | 133.6 | 93% | 0.925 | 76% | 0.764 | S | S | * | * | -151.5 | 113.5 | 129.8 | -118.8 | 179.3 | -169.5 | 84.5 | -1.9 | 112.6 | |||||
| 670 | T | 38.7 | Very low | 43.2 | Very low | 122 Ų | 122 | 138.9 Ų | 138.9 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | -91.7 | 157.2 | 158.8 | 38 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 671 | S | 37.5 | Very low | 42.3 | Very low | 108 Ų | 108 | 138.2 Ų | 138.2 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | 83.6 | 123.3 | 160.2 | -52.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 672 | T | 35.4 | Very low | 41.6 | Very low | 129 Ų | 129 | 138.3 Ų | 138.3 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | trans | 74.3 | 101.2 | 147.1 | -45.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 673 | I | 33.6 | Very low | 40.9 | Very low | 241 Ų | 241 | 143.1 Ų | 143.1 | 100% | 1.236 | 82% | 0.824 | S | S | * | * | -122.7 | 0 | 72.7 | -78 | 176.5 | 0 | 0 | 0 | 108.4 |
Retrieved 673 of 673 residues in 1416.4 ms
(Link to these results)