| 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 | 60 | Low | 80.1 | Confident | 209 Ų | 209 | 124.5 Ų | 124.5 | 100% | 1.03 | 65% | 0.65 | S | S | * | * | 0 | -44.2 | 0 | -65.3 | -141.5 | -75.6 | 0 | 0 | 113.3 | R3 L4 A5 | M1-R3 PolarHBondContact O-N 3.39Å; M1-L4 PolarHBondContact O-N 2.94Å; M1-A5 PolarHBondContact O-N 3.47Å; M1-A5 VanDerWaalsContact O-N 3.13Å | |||
| 2 | V | 67.8 | Low | 81.1 | Confident | 126 Ų | 126 | 121.5 Ų | 121.5 | 76% | 0.764 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -64.8 | -38.2 | -177.6 | -176.2 | 0 | 0 | 0 | 0 | 114.3 | A5 A6 | V2-A5 PolarHBondContact O-N 3.28Å; V2-A6 PolarHBondContact O-N 3.39Å; V2-A6 VanDerWaalsContact O-N 3.11Å |
| 3 | R | 71.6 | Confident | 81.8 | Confident | 217 Ų | 217 | 115.1 Ų | 115.1 | 82% | 0.819 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -67.6 | -41.3 | 177.4 | -74.9 | -172 | 175 | 173.2 | -1.8 | 113.4 | M1 A5 A6 E7 | M1-R3 PolarHBondContact O-N 3.39Å; R3-A5 VanDerWaalsContact C-N 3.32Å; R3-A5 PolarHBondContact O-N 2.62Å; R3-A6 PolarHBondContact O-N 3.07Å; R3-E7 PolarHBondContact O-N 3.44Å |
| 4 | L | 77.1 | Confident | 82.5 | Confident | 118 Ų | 118 | 113.8 Ų | 113.8 | 62% | 0.618 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63.5 | -37.4 | 174.6 | -93.3 | 140.6 | 0 | 0 | 0 | 112 | M1 L8 | M1-L4 PolarHBondContact O-N 2.94Å; L4-L8 WeakPolarHBondContact O-CB 3.31Å; L4-L8 PolarHBondContact O-N 3.35Å |
| 5 | A | 80.5 | Confident | 83.2 | Confident | 53 Ų | 53 | 114 Ų | 114 | 44% | 0.438 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -66.5 | -38.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | M1 V2 R3 L8 L9 | M1-A5 PolarHBondContact O-N 3.47Å; M1-A5 VanDerWaalsContact O-N 3.13Å; V2-A5 PolarHBondContact O-N 3.28Å; R3-A5 VanDerWaalsContact C-N 3.32Å; R3-A5 PolarHBondContact O-N 2.62Å; A5-L8 PolarHBondContact O-N 3.29Å; A5-L9 VanDerWaalsContact O-CG 3.3Å; A5-L9 WeakPolarHBondContact O-CG 3.38Å; A5-L9 PolarHBondContact O-N 3.36Å |
| 6 | A | 82.8 | Confident | 83.6 | Confident | 56 Ų | 56 | 113.1 Ų | 113.1 | 46% | 0.463 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66.4 | -43 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | V2 R3 L9 L10 | V2-A6 PolarHBondContact O-N 3.39Å; V2-A6 VanDerWaalsContact O-N 3.11Å; R3-A6 PolarHBondContact O-N 3.07Å; A6-L9 PolarHBondContact O-N 2.81Å; A6-L10 PolarHBondContact O-N 3.28Å |
| 7 | E | 85 | Confident | 83.8 | Confident | 124 Ų | 124 | 112.7 Ų | 112.7 | 58% | 0.579 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.8 | -38.5 | 176.2 | -72.7 | 178.4 | -177.7 | 0 | 0 | 112.1 | R3 L9 L10 L11 | R3-E7 PolarHBondContact O-N 3.44Å; E7-L9 PolarHBondContact O-N 3.49Å; E7-L10 PolarHBondContact O-N 3.38Å; E7-L11 WeakPolarHBondContact O-CG 3.45Å; E7-L11 PolarHBondContact O-N 2.77Å |
| 8 | L | 88.8 | Confident | 83.8 | Confident | 110 Ų | 110 | 110.6 Ų | 110.6 | 58% | 0.576 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.3 | -39 | 176.6 | -128.5 | 119.1 | 0 | 0 | 0 | 112.3 | L4 A5 L11 L12 | L4-L8 WeakPolarHBondContact O-CB 3.31Å; L4-L8 PolarHBondContact O-N 3.35Å; A5-L8 PolarHBondContact O-N 3.29Å; L8-L11 PolarHBondContact O-N 3.36Å; L8-L12 WeakPolarHBondContact O-CB 3.46Å; L8-L12 PolarHBondContact O-N 2.82Å |
| 9 | L | 88.2 | Confident | 84 | Confident | 124 Ų | 124 | 110.3 Ų | 110.3 | 65% | 0.649 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67.6 | -36.3 | 175.9 | -73.9 | 169.8 | 0 | 0 | 0 | 112.1 | A5 A6 E7 L12 G13 | A5-L9 VanDerWaalsContact O-CG 3.3Å; A5-L9 WeakPolarHBondContact O-CG 3.38Å; A5-L9 PolarHBondContact O-N 3.36Å; A6-L9 PolarHBondContact O-N 2.81Å; E7-L9 PolarHBondContact O-N 3.49Å; L9-L12 PolarHBondContact O-N 3.2Å; L9-G13 PolarHBondContact O-N 2.9Å |
| 10 | L | 88.4 | Confident | 83.6 | Confident | 121 Ų | 121 | 111.5 Ų | 111.5 | 63% | 0.634 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.3 | -41.8 | 176.8 | -129.2 | 152 | 0 | 0 | 0 | 111.4 | A6 E7 G13 L14 | A6-L10 PolarHBondContact O-N 3.28Å; E7-L10 PolarHBondContact O-N 3.38Å; L10-G13 PolarHBondContact O-N 2.87Å; L10-L14 HydrophobicContact CD2-CD1 4.29Å; L10-L14 PolarHBondContact O-N 2.87Å |
| 11 | L | 90.9 | Very high | 83.3 | Confident | 111 Ų | 111 | 110.1 Ų | 110.1 | 58% | 0.581 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.3 | -39.9 | 174.4 | -71.5 | 171.6 | 0 | 0 | 0 | 112.3 | E7 L8 G13 L14 L15 | E7-L11 WeakPolarHBondContact O-CG 3.45Å; E7-L11 PolarHBondContact O-N 2.77Å; L8-L11 PolarHBondContact O-N 3.36Å; L11-G13 VanDerWaalsContact C-N 3.34Å; L11-L14 PolarHBondContact O-N 3.21Å; L11-L15 PolarHBondContact O-N 2.89Å |
| 12 | L | 92.2 | Very high | 84.2 | Confident | 89 Ų | 89 | 104 Ų | 104 | 47% | 0.466 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.4 | -41 | 173.5 | -113.1 | 151.5 | 0 | 0 | 0 | 111.8 | L8 L9 L15 L16 | L8-L12 WeakPolarHBondContact O-CB 3.46Å; L8-L12 PolarHBondContact O-N 2.82Å; L9-L12 PolarHBondContact O-N 3.2Å; L12-L15 PolarHBondContact O-N 3.16Å; L12-L16 WeakPolarHBondContact O-CG 3.08Å; L12-L16 PolarHBondContact O-N 3.04Å |
| 13 | G | 90.8 | Very high | 84.5 | Confident | 38 Ų | 38 | 101.5 Ų | 101.5 | 39% | 0.392 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L9 L10 L11 L16 L17 | L9-G13 PolarHBondContact O-N 2.9Å; L10-G13 PolarHBondContact O-N 2.87Å; L11-G13 VanDerWaalsContact C-N 3.34Å; G13-L16 PolarHBondContact O-N 3.41Å; G13-L17 WeakPolarHBondContact O-CB 3.04Å; G13-L17 PolarHBondContact O-N 3.2Å |
| 14 | L | 91.5 | Very high | 84 | Confident | 97 Ų | 97 | 98 Ų | 98 | 51% | 0.508 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.6 | -37.3 | 176.2 | -76.4 | 161.8 | 0 | 0 | 0 | 112.3 | L10 L11 L17 T18 | L10-L14 HydrophobicContact CD2-CD1 4.29Å; L10-L14 PolarHBondContact O-N 2.87Å; L11-L14 PolarHBondContact O-N 3.21Å; L14-L17 PolarHBondContact O-N 3.31Å; L14-T18 WeakPolarHBondContact O-CG2 3.44Å; L14-T18 PolarHBondContact O-N 3.5Å; L14-T18 PolarHBondContact O-OG1 3.19Å |
| 15 | L | 92.1 | Very high | 83.2 | Confident | 117 Ų | 117 | 103 Ų | 103 | 61% | 0.613 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.2 | -42 | 175.6 | -108.3 | 160.4 | 0 | 0 | 0 | 112.3 | L11 L12 T18 L19 | L11-L15 PolarHBondContact O-N 2.89Å; L12-L15 PolarHBondContact O-N 3.16Å; L15-T18 WeakPolarHBondContact CA-OG1 3.22Å; L15-T18 PolarHBondContact O-N 3.49Å; L15-T18 PolarHBondContact O-OG1 3.07Å; L15-L19 WeakPolarHBondContact O-CB 3.02Å; L15-L19 PolarHBondContact O-N 2.65Å |
| 16 | L | 90.3 | Very high | 81.8 | Confident | 99 Ų | 99 | 104.1 Ų | 104.1 | 52% | 0.518 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68 | -37.6 | 176.6 | -69.4 | 172.2 | 0 | 0 | 0 | 112 | L12 G13 L19 H20 | L12-L16 WeakPolarHBondContact O-CG 3.08Å; L12-L16 PolarHBondContact O-N 3.04Å; G13-L16 PolarHBondContact O-N 3.41Å; L16-L19 PolarHBondContact O-N 3.28Å; L16-H20 PolarHBondContact O-N 3.47Å |
| 17 | L | 86.4 | Confident | 79.9 | Confident | 107 Ų | 107 | 108 Ų | 108 | 56% | 0.56 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.7 | -42.2 | 177.2 | -164.4 | 119.4 | 0 | 0 | 0 | 111.6 | G13 L14 H20 I21 | G13-L17 WeakPolarHBondContact O-CB 3.04Å; G13-L17 PolarHBondContact O-N 3.2Å; L14-L17 PolarHBondContact O-N 3.31Å; L17-H20 PolarHBondContact O-N 3Å; L17-I21 HydrophobicContact CD2-CD1 3.74Å; L17-I21 HydrophobicContact CG-CD1 4.29Å; L17-I21 WeakPolarHBondContact O-CD1 3.34Å; L17-I21 VanDerWaalsContact O-CG1 3.25Å; L17-I21 WeakPolarHBondContact O-CG1 3.46Å; L17-I21 PolarHBondContact O-N 3.41Å |
| 18 | T | 84.1 | Confident | 78 | Confident | 74 Ų | 74 | 107.8 Ų | 107.8 | 45% | 0.454 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.6 | -36.7 | 175.6 | 50.6 | 0 | 0 | 0 | 0 | 112.3 | L14 L15 I21 T22 | L14-T18 WeakPolarHBondContact O-CG2 3.44Å; L14-T18 PolarHBondContact O-N 3.5Å; L14-T18 PolarHBondContact O-OG1 3.19Å; L15-T18 WeakPolarHBondContact CA-OG1 3.22Å; L15-T18 PolarHBondContact O-N 3.49Å; L15-T18 PolarHBondContact O-OG1 3.07Å; T18-I21 PolarHBondContact O-N 2.82Å; T18-T22 WeakPolarHBondContact O-CG2 3.35Å; T18-T22 PolarHBondContact O-N 3.33Å; T18-T22 PolarHBondContact O-OG1 2.87Å; T18-T22 VanDerWaalsContact O-OG1 3.12Å |
| 19 | L | 87 | Confident | 75.6 | Confident | 106 Ų | 106 | 110.7 Ų | 110.7 | 56% | 0.555 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.2 | -41.5 | 172.5 | -163.5 | 83.7 | 0 | 0 | 0 | 111.9 | L15 L16 I21 T22 V23 | L15-L19 WeakPolarHBondContact O-CB 3.02Å; L15-L19 PolarHBondContact O-N 2.65Å; L16-L19 PolarHBondContact O-N 3.28Å; L19-I21 PolarHBondContact O-N 2.02Å; L19-T22 WeakPolarHBondContact CA-OG1 3.25Å; L19-T22 PolarHBondContact O-N 3.42Å; L19-T22 PolarHBondContact O-OG1 3.3Å; L19-V23 WeakPolarHBondContact O-CB 3.35Å; L19-V23 VanDerWaalsContact O-CG2 3.24Å; L19-V23 WeakPolarHBondContact O-CG2 2.98Å; L19-V23 PolarHBondContact O-N 2.03Å |
| 20 | H | 76.9 | Confident | 73.5 | Confident | 133 Ų | 133 | 110.1 Ų | 110.1 | 62% | 0.616 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.9 | -40.1 | 176.4 | -95.6 | -43.7 | 0 | 0 | 0 | 112.7 | L16 L17 T22 V23 L24 | L16-H20 PolarHBondContact O-N 3.47Å; L17-H20 PolarHBondContact O-N 3Å; H20-T22 VanDerWaalsContact C-N 3.35Å; H20-V23 PolarHBondContact O-N 3.17Å; H20-L24 WeakPolarHBondContact O-CB 3.41Å; H20-L24 WeakPolarHBondContact O-CG 3.04Å; H20-L24 PolarHBondContact O-N 3.12Å |
| 21 | I | 78.1 | Confident | 71 | Confident | 83 Ų | 83 | 113.8 Ų | 113.8 | 43% | 0.426 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66.7 | -37.2 | 177.7 | -66.5 | 164.5 | 0 | 0 | 0 | 111.2 | L17 T18 L19 R25 | L17-I21 HydrophobicContact CD2-CD1 3.74Å; L17-I21 HydrophobicContact CG-CD1 4.29Å; L17-I21 WeakPolarHBondContact O-CD1 3.34Å; L17-I21 VanDerWaalsContact O-CG1 3.25Å; L17-I21 WeakPolarHBondContact O-CG1 3.46Å; L17-I21 PolarHBondContact O-N 3.41Å; T18-I21 PolarHBondContact O-N 2.82Å; L19-I21 PolarHBondContact O-N 2.02Å; I21-R25 PolarHBondContact O-N 3.36Å |
| 22 | T | 77.6 | Confident | 68.2 | Low | 80 Ų | 80 | 112.1 Ų | 112.1 | 49% | 0.491 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -73.4 | -36 | 177.7 | 54.1 | 0 | 0 | 0 | 0 | 112.6 | T18 L19 H20 R25 S26 | T18-T22 WeakPolarHBondContact O-CG2 3.35Å; T18-T22 PolarHBondContact O-N 3.33Å; T18-T22 PolarHBondContact O-OG1 2.87Å; T18-T22 VanDerWaalsContact O-OG1 3.12Å; L19-T22 WeakPolarHBondContact CA-OG1 3.25Å; L19-T22 PolarHBondContact O-N 3.42Å; L19-T22 PolarHBondContact O-OG1 3.3Å; H20-T22 VanDerWaalsContact C-N 3.35Å; T22-R25 PolarHBondContact O-N 3.41Å; T22-S26 PolarHBondContact O-N 3.01Å; T22-S26 PolarHBondContact O-OG 3.2Å |
| 23 | V | 74 | Confident | 65.3 | Low | 75 Ų | 75 | 115.6 Ų | 115.6 | 46% | 0.455 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -67.1 | -39.4 | 173.4 | 172.5 | 0 | 0 | 0 | 0 | 111.6 | L19 H20 R25 S26 | L19-V23 WeakPolarHBondContact O-CB 3.35Å; L19-V23 VanDerWaalsContact O-CG2 3.24Å; L19-V23 WeakPolarHBondContact O-CG2 2.98Å; L19-V23 PolarHBondContact O-N 2.03Å; H20-V23 PolarHBondContact O-N 3.17Å; V23-R25 VanDerWaalsContact C-N 3.27Å; V23-R25 PolarHBondContact O-N 3.35Å; V23-S26 WeakPolarHBondContact CA-OG 3.33Å; V23-S26 PolarHBondContact O-N 3.07Å; V23-S26 PolarHBondContact O-OG 3.47Å |
| 24 | L | 62.1 | Low | 62.6 | Low | 144 Ų | 144 | 118.6 Ų | 118.6 | 75% | 0.754 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -66.5 | -26.9 | 175.3 | -76.4 | 166.6 | 0 | 0 | 0 | 113.2 | H20 | H20-L24 WeakPolarHBondContact O-CB 3.41Å; H20-L24 WeakPolarHBondContact O-CG 3.04Å; H20-L24 PolarHBondContact O-N 3.12Å |
| 25 | R | 60.6 | Low | 59.7 | Low | 223 Ų | 223 | 119.9 Ų | 119.9 | 84% | 0.842 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -84.7 | -11 | 175.4 | -82.7 | -174.4 | 172 | 173.2 | -1.1 | 114.7 | I21 T22 V23 | I21-R25 PolarHBondContact O-N 3.36Å; T22-R25 PolarHBondContact O-N 3.41Å; V23-R25 VanDerWaalsContact C-N 3.27Å; V23-R25 PolarHBondContact O-N 3.35Å |
| 26 | S | 49.8 | Very low | 56.7 | Low | 76 Ų | 76 | 120.3 Ų | 120.3 | 53% | 0.531 | 68% | 0.679 | S | S | . | * | S | Bend | trans | -108.7 | 11.2 | -172.5 | 44 | 0 | 0 | 0 | 0 | 115.2 | T22 V23 P28 | T22-S26 PolarHBondContact O-N 3.01Å; T22-S26 PolarHBondContact O-OG 3.2Å; V23-S26 WeakPolarHBondContact CA-OG 3.33Å; V23-S26 PolarHBondContact O-N 3.07Å; V23-S26 PolarHBondContact O-OG 3.47Å; S26-P28 WeakPolarHBondContact O-CD 3.18Å |
| 27 | N | 42.8 | Very low | 53.8 | Low | 138 Ų | 138 | 120.2 Ų | 120.2 | 74% | 0.738 | 69% | 0.687 | S | S | * | * | trans | -98.9 | 95.7 | 170.1 | -87.6 | -9.4 | 0 | 0 | 0 | 112.1 | ||||
| 28 | P | 45.3 | Very low | 51 | Low | 119 Ų | 119 | 121.9 Ų | 121.9 | 77% | 0.773 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 119.5 | 157.7 | 31.5 | -28.4 | 0 | 0 | 0 | 109.5 | S26 | S26-P28 WeakPolarHBondContact O-CD 3.18Š|
| 29 | L | 37.9 | Very low | 48.4 | Very low | 171 Ų | 171 | 124.5 Ų | 124.5 | 90% | 0.895 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 140.5 | 164.3 | -94.5 | 151.9 | 0 | 0 | 0 | 109.4 | ||
| 30 | P | 44.4 | Very low | 45.6 | Very low | 112 Ų | 112 | 128.9 Ų | 128.9 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 136.2 | -169 | 34.1 | -30.3 | 0 | 0 | 0 | 111.8 | ||
| 31 | Q | 36.7 | Very low | 43.3 | Very low | 198 Ų | 198 | 129.2 Ų | 129.2 | 93% | 0.925 | 73% | 0.731 | S | S | * | * | trans | -125.2 | 105 | 156.4 | -86.3 | -173 | -19.5 | 0 | 0 | 110.2 | ||||
| 32 | G | 31.5 | Very low | 40.9 | Very low | 76 Ų | 76 | 130.4 Ų | 130.4 | 78% | 0.784 | 74% | 0.742 | S | S | * | * | trans | 48.5 | 102.5 | 132.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 33 | N | 32.5 | Very low | 38.6 | Very low | 162 Ų | 162 | 132.3 Ų | 132.3 | 87% | 0.866 | 75% | 0.754 | S | S | * | * | trans | -53.1 | 134 | 158.2 | -74.1 | -22.6 | 0 | 0 | 0 | 112.9 | ||||
| 34 | A | 32.2 | Very low | 36.5 | Very low | 101 Ų | 101 | 135.7 Ų | 135.7 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | trans | -142.9 | 100.3 | 132.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 35 | T | 32.5 | Very low | 34.8 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | -58.8 | 148.3 | 158.7 | 37.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 36 | V | 28.5 | Very low | 33.3 | Very low | 126 Ų | 126 | 134.1 Ų | 134.1 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | -169.5 | 118.4 | 83 | 165.2 | 0 | 0 | 0 | 0 | 105.7 | |||||
| 37 | S | 28.3 | Very low | 32.4 | Very low | 98 Ų | 98 | 138.9 Ų | 138.9 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | 56.4 | 134.2 | 103.9 | -143.1 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 38 | L | 29.3 | Very low | 31.7 | Very low | 141 Ų | 141 | 138.9 Ų | 138.9 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | cis | -169.2 | 150.2 | 35.4 | -172 | 73.8 | 0 | 0 | 0 | 108.3 | ||||
| 39 | D | 28.3 | Very low | 30.8 | Very low | 130 Ų | 130 | 138.6 Ų | 138.6 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | trans | -4.4 | 140 | 157.3 | -54 | -45.5 | 0 | 0 | 0 | 119.5 | ||||
| 40 | Q | 29.3 | Very low | 30.6 | Very low | 198 Ų | 198 | 137.6 Ų | 137.6 | 93% | 0.925 | 77% | 0.769 | S | S | * | * | -175.5 | 155.9 | 97 | -121.2 | 166.9 | -3.8 | 0 | 0 | 115.3 | |||||
| 41 | D | 27.6 | Very low | 29.8 | Very low | 140 Ų | 140 | 140.3 Ų | 140.3 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | trans | -63.7 | 166.3 | -173.4 | -117.6 | -32.7 | 0 | 0 | 0 | 118.4 | ||||
| 42 | T | 28.4 | Very low | 29.3 | Very low | 108 Ų | 108 | 135.2 Ų | 135.2 | 66% | 0.663 | 77% | 0.769 | S | S | * | * | trans | 77.6 | 111.3 | 143.7 | 52.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 43 | T | 29.4 | Very low | 29.1 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | 32.6 | 125 | 122.9 | 63.2 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 44 | L | 28.2 | Very low | 28.8 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | 161.1 | 135.2 | 113.7 | -89.7 | 158 | 0 | 0 | 0 | 113.7 | |||||
| 45 | K | 27.3 | Very low | 28.4 | Very low | 169 Ų | 169 | 146.2 Ų | 146.2 | 74% | 0.735 | 77% | 0.769 | S | S | * | * | trans | 63.3 | 120.6 | 139.7 | -79.4 | 177.8 | 178.3 | -179.6 | 0 | 123 | ||||
| 46 | E | 29.5 | Very low | 28 | Very low | 165 Ų | 165 | 145.2 Ų | 145.2 | 77% | 0.771 | 77% | 0.767 | S | S | * | * | 27.1 | 124.9 | 121.5 | -72.8 | 178 | 125.1 | 0 | 0 | 119.2 | |||||
| 47 | Q | 30 | Very low | 27.9 | Very low | 176 Ų | 176 | 148.4 Ų | 148.4 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | 177.7 | 128.7 | 110.7 | -98.3 | 172.2 | -1.4 | 0 | 0 | 112 | |||||
| 48 | N | 27.6 | Very low | 27.9 | Very low | 137 Ų | 137 | 149.6 Ų | 149.6 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | 43.7 | 138.8 | 122.8 | -71 | -11.2 | 0 | 0 | 0 | 118.9 | |||||
| 49 | T | 28.5 | Very low | 27.9 | Very low | 113 Ų | 113 | 151.3 Ų | 151.3 | 69% | 0.693 | 78% | 0.778 | S | S | * | * | cis | 179.1 | 151.3 | 36.9 | 0.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 50 | L | 31.8 | Very low | 27.7 | Very low | 150 Ų | 150 | 153.4 Ų | 153.4 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | 27 | 128.8 | 140.6 | -65.4 | 163 | 0 | 0 | 0 | 120.6 | ||||
| 51 | N | 27.8 | Very low | 27.5 | Very low | 170 Ų | 170 | 148.1 Ų | 148.1 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | -156.7 | 121.3 | 123.4 | -98.8 | -30.1 | 0 | 0 | 0 | 112.6 | |||||
| 52 | A | 27.7 | Very low | 28 | Very low | 90 Ų | 90 | 147.1 Ų | 147.1 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | trans | -83.4 | 147.3 | 166 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 53 | R | 25.8 | Very low | 28 | Very low | 230 Ų | 230 | 150.4 Ų | 150.4 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | trans | -150.6 | 106.9 | 150 | -146.1 | 173.8 | -168.3 | 174.8 | 4.5 | 111.2 | ||||
| 54 | S | 26.2 | Very low | 27.9 | Very low | 102 Ų | 102 | 150.8 Ų | 150.8 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | -65.8 | 151.7 | 160.6 | -59.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 55 | R | 23.8 | Very low | 27.7 | Very low | 238 Ų | 238 | 153.5 Ų | 153.5 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | trans | -150.5 | 127.5 | 137 | -104.1 | 176.5 | -174.2 | 180 | -0.1 | 109.4 | ||||
| 56 | S | 25.4 | Very low | 27.6 | Very low | 102 Ų | 102 | 156.2 Ų | 156.2 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | trans | -108.6 | -179.3 | -177.1 | -43.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 57 | F | 26.5 | Very low | 27.5 | Very low | 193 Ų | 193 | 154.3 Ų | 154.3 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | 89.9 | 136.4 | 162 | -98.1 | -85.2 | 0 | 0 | 0 | 115.9 | ||||
| 58 | V | 27.1 | Very low | 27.1 | Very low | 123 Ų | 123 | 149.7 Ų | 149.7 | 75% | 0.745 | 80% | 0.796 | S | S | * | * | cis | -154.6 | 152.2 | 26.9 | -171.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 59 | Q | 30 | Very low | 27 | Very low | 178 Ų | 178 | 148.3 Ų | 148.3 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -74.3 | 158.3 | 170.5 | -123.1 | 142.1 | -43 | 0 | 0 | 114 | ||||
| 60 | L | 24.4 | Very low | 26.8 | Very low | 173 Ų | 173 | 151.2 Ų | 151.2 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | trans | -176.1 | 131.5 | 141.9 | -97.2 | 147.3 | 0 | 0 | 0 | 112 | ||||
| 61 | A | 25.7 | Very low | 26.6 | Very low | 87 Ų | 87 | 153.7 Ų | 153.7 | 72% | 0.719 | 82% | 0.816 | S | S | * | * | trans | -119.4 | 167 | 155.6 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 62 | P | 38 | Very low | 26.6 | Very low | 119 Ų | 119 | 156.3 Ų | 156.3 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | cis | -152.2 | 177.1 | 45.3 | 37.9 | -13.6 | 0 | 0 | 0 | 118.6 | ||||
| 63 | E | 27.6 | Very low | 26.8 | Very low | 178 Ų | 178 | 157.8 Ų | 157.8 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | 40 | 150 | 156 | -61.8 | -157.2 | 137.7 | 0 | 0 | 122.1 | ||||
| 64 | D | 26.4 | Very low | 26.7 | Very low | 128 Ų | 128 | 150.1 Ų | 150.1 | 68% | 0.684 | 80% | 0.801 | S | S | * | * | cis | -172.9 | 165.2 | 37.1 | -161.5 | 2.3 | 0 | 0 | 0 | 112.2 | ||||
| 65 | R | 25.5 | Very low | 26.7 | Very low | 202 Ų | 202 | 154.4 Ų | 154.4 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | trans | 98.6 | 105.3 | 155 | -65.2 | -166.7 | 174.9 | 177.7 | -0.6 | 125.3 | ||||
| 66 | R | 25.2 | Very low | 26.8 | Very low | 226 Ų | 226 | 151.8 Ų | 151.8 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | 67.4 | 121.5 | 121 | -79.8 | -174.2 | -177.1 | -164.3 | -0.7 | 123.4 | |||||
| 67 | S | 25.9 | Very low | 27.2 | Very low | 125 Ų | 125 | 152.6 Ų | 152.6 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | 144 | 122.7 | 127.3 | -60 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 68 | G | 22.8 | Very low | 27 | Very low | 80 Ų | 80 | 148.3 Ų | 148.3 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | cis | 122.9 | 104.8 | 22.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 69 | A | 25.5 | Very low | 26.8 | Very low | 107 Ų | 107 | 148.7 Ų | 148.7 | 88% | 0.884 | 81% | 0.813 | S | S | * | * | trans | -179.9 | 116.2 | 148.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 70 | E | 24.3 | Very low | 26.5 | Very low | 174 Ų | 174 | 148 Ų | 148 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | trans | -68 | 152.9 | 168.4 | -71.1 | 160.8 | 108.8 | 0 | 0 | 112.3 | ||||
| 71 | H | 27.4 | Very low | 26.8 | Very low | 202 Ų | 202 | 145.1 Ų | 145.1 | 94% | 0.935 | 81% | 0.806 | S | S | * | * | trans | -155.6 | 114.7 | 132.7 | -86.7 | -48.3 | 0 | 0 | 0 | 111.1 | ||||
| 72 | R | 26.6 | Very low | 26.6 | Very low | 225 Ų | 225 | 150.9 Ų | 150.9 | 85% | 0.849 | 81% | 0.809 | S | S | * | * | trans | -114.5 | 151.6 | 152.6 | -147.6 | 178.1 | -179.1 | 176.5 | 0.8 | 105.7 | ||||
| 73 | P | 32.7 | Very low | 26 | Very low | 121 Ų | 121 | 152.2 Ų | 152.2 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | -143 | 164.4 | 104.9 | 30.6 | -12.1 | 0 | 0 | 0 | 114.6 | |||||
| 74 | A | 24.4 | Very low | 26 | Very low | 69 Ų | 69 | 151.4 Ų | 151.4 | 57% | 0.57 | 81% | 0.811 | S | S | * | * | trans | -82.6 | 157.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 75 | H | 26 | Very low | 25.8 | Very low | 192 Ų | 192 | 148.9 Ų | 148.9 | 89% | 0.889 | 82% | 0.815 | S | S | * | * | trans | -151.8 | 112.8 | 147.5 | -81.2 | -62.9 | 0 | 0 | 0 | 112 | ||||
| 76 | Q | 24.6 | Very low | 25.8 | Very low | 183 Ų | 183 | 144.9 Ų | 144.9 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | trans | -121.3 | 169.3 | 138.4 | -94.7 | -173.9 | -11.4 | 0 | 0 | 105.1 | ||||
| 77 | P | 34.7 | Very low | 26 | Very low | 120 Ų | 120 | 143.5 Ų | 143.5 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | cis | -138.9 | 175.5 | 13.3 | 38.6 | -19 | 0 | 0 | 0 | 115 | ||||
| 78 | A | 21.4 | Very low | 26 | Very low | 103 Ų | 103 | 143.8 Ų | 143.8 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | -168.2 | 131.1 | 144.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 79 | T | 23.2 | Very low | 26.2 | Very low | 131 Ų | 131 | 147.5 Ų | 147.5 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -111.7 | 157.8 | 176.1 | 34.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 80 | L | 25.2 | Very low | 26.3 | Very low | 162 Ų | 162 | 152.1 Ų | 152.1 | 85% | 0.848 | 81% | 0.81 | S | S | * | * | trans | 95.3 | 151.8 | 161.3 | -63.9 | 160.2 | 0 | 0 | 0 | 118.4 | ||||
| 81 | P | 29 | Very low | 26.5 | Very low | 113 Ų | 113 | 151 Ų | 151 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | cis | -132.4 | 169.8 | -12.6 | 28.6 | -5.9 | 0 | 0 | 0 | 115.9 | ||||
| 82 | W | 22.2 | Very low | 26.7 | Very low | 208 Ų | 208 | 144.3 Ų | 144.3 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | trans | -44.5 | 134.1 | 170.4 | -167.8 | -62.8 | 0 | 0 | 0 | 115.9 | ||||
| 83 | V | 24.6 | Very low | 27.3 | Very low | 147 Ų | 147 | 140 Ų | 140 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | trans | -130.3 | 136.5 | 152.6 | 176.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 84 | Q | 27.8 | Very low | 27.3 | Very low | 162 Ų | 162 | 137.7 Ų | 137.7 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | trans | -101.1 | 134.2 | -160.5 | -163.2 | 168.8 | -11.6 | 0 | 0 | 110.7 | ||||
| 85 | G | 23.5 | Very low | 27.6 | Very low | 74 Ų | 74 | 138.5 Ų | 138.5 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | trans | 104.3 | 100.7 | 143.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 86 | S | 25.4 | Very low | 28.3 | Very low | 119 Ų | 119 | 137.6 Ų | 137.6 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | -163.1 | 125.2 | 129.3 | 32 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 87 | K | 28.2 | Very low | 28.7 | Very low | 196 Ų | 196 | 134 Ų | 134 | 85% | 0.852 | 78% | 0.781 | S | S | * | * | trans | -64.1 | 125.8 | -177.8 | -71.1 | 174.5 | 174.2 | 178.6 | 0 | 110.9 | ||||
| 88 | V | 26.6 | Very low | 29 | Very low | 131 Ų | 131 | 133.8 Ų | 133.8 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | -116.8 | 112.3 | 160.7 | 176.3 | 0 | 0 | 0 | 0 | 106.7 | K90 | V88-K90 PolarHBondContact O-N 3.29Š| ||
| 89 | H | 26.8 | Very low | 29.8 | Very low | 159 Ų | 159 | 132.9 Ų | 132.9 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | trans | -63.7 | 117 | 167.7 | -82.5 | -91.3 | 0 | 0 | 0 | 108 | D91 | H89-D91 PolarHBondContact O-N 2.73Š| ||
| 90 | K | 27.7 | Very low | 30.9 | Very low | 203 Ų | 203 | 131.5 Ų | 131.5 | 88% | 0.883 | 74% | 0.741 | S | S | * | * | trans | -80.4 | 99.8 | 165.5 | -84.7 | -177.8 | 171.1 | -179.7 | 0 | 107.3 | V88 | V88-K90 PolarHBondContact O-N 3.29Š| ||
| 91 | D | 28.9 | Very low | 31.6 | Very low | 151 Ų | 151 | 132 Ų | 132 | 81% | 0.807 | 74% | 0.738 | S | S | * | * | trans | -85.6 | 110.2 | 160.8 | -74.5 | -28 | 0 | 0 | 0 | 107.8 | H89 | H89-D91 PolarHBondContact O-N 2.73Š| ||
| 92 | G | 30.8 | Very low | 32 | Very low | 62 Ų | 62 | 132.9 Ų | 132.9 | 64% | 0.639 | 74% | 0.737 | S | S | * | * | trans | -70.8 | 149.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | G94 | G92-G94 PolarHBondContact O-N 2.64Š| ||
| 93 | P | 39.7 | Very low | 32.9 | Very low | 134 Ų | 134 | 129.4 Ų | 129.4 | 87% | 0.87 | 73% | 0.728 | S | S | * | * | trans | -73.3 | 113.9 | 175 | 28.3 | -29.5 | 0 | 0 | 0 | 109.1 | A95 | P93-A95 PolarHBondContact O-N 3.28Š| ||
| 94 | G | 33.1 | Very low | 33.5 | Very low | 72 Ų | 72 | 127 Ų | 127 | 74% | 0.742 | 72% | 0.716 | S | S | * | * | trans | -54.6 | 128.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | G92 F96 | G92-G94 PolarHBondContact O-N 2.64Å; G94-F96 PolarHBondContact O-N 3.43Å | ||
| 95 | A | 30.9 | Very low | 34.1 | Very low | 86 Ų | 86 | 125.7 Ų | 125.7 | 71% | 0.711 | 71% | 0.713 | S | S | * | * | trans | -60.6 | 110 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | P93 L97 | P93-A95 PolarHBondContact O-N 3.28Å; A95-L97 PolarHBondContact O-N 3.42Å | ||
| 96 | F | 40.8 | Very low | 35.1 | Very low | 174 Ų | 174 | 127.3 Ų | 127.3 | 76% | 0.763 | 70% | 0.704 | S | S | * | * | trans | -72.7 | 105.9 | 167.4 | -178.8 | -96.5 | 0 | 0 | 0 | 108 | G94 L98 | G94-F96 PolarHBondContact O-N 3.43Å; F96-L98 HydrophobicContact CD1-CD1 4.09Å; F96-L98 HydrophobicContact CE1-CD1 3.99Å; F96-L98 HydrophobicContact CE1-CG 4.13Å; F96-L98 PolarHBondContact O-N 3.18Å | ||
| 97 | L | 32.8 | Very low | 35.7 | Very low | 106 Ų | 106 | 126.5 Ų | 126.5 | 56% | 0.555 | 70% | 0.698 | S | S | * | * | trans | -67.6 | 114.3 | 167.6 | -175.7 | 72.7 | 0 | 0 | 0 | 107.7 | A95 D99 | A95-L97 PolarHBondContact O-N 3.42Å; L97-D99 VanDerWaalsContact C-N 3.25Å; L97-D99 PolarHBondContact O-N 2.65Å | ||
| 98 | L | 41.3 | Very low | 36.2 | Very low | 117 Ų | 117 | 125.8 Ų | 125.8 | 61% | 0.613 | 70% | 0.695 | S | S | * | * | trans | -68.6 | 87.3 | 172.2 | -126.7 | 106.9 | 0 | 0 | 0 | 108.5 | F96 L100 | F96-L98 HydrophobicContact CD1-CD1 4.09Å; F96-L98 HydrophobicContact CE1-CD1 3.99Å; F96-L98 HydrophobicContact CE1-CG 4.13Å; F96-L98 PolarHBondContact O-N 3.18Å; L98-L100 HydrophobicContact CB-CD1 4.44Å; L98-L100 HydrophobicContact CD2-CD1 3.75Å; L98-L100 PolarHBondContact O-N 2.71Å; L98-L100 VanDerWaalsContact O-N 3.11Å | ||
| 99 | D | 38.3 | Very low | 37 | Very low | 84 Ų | 84 | 122.3 Ų | 122.3 | 45% | 0.449 | 68% | 0.68 | S | S | . | * | trans | -78.9 | 92.8 | 176.2 | -168.4 | 0.6 | 0 | 0 | 0 | 109.7 | L97 H101 N102 | L97-D99 VanDerWaalsContact C-N 3.25Å; L97-D99 PolarHBondContact O-N 2.65Å; D99-H101 PolarHBondContact O-N 2.86Å; D99-H101 VanDerWaalsContact O-N 3.12Å; D99-H101 WeakPolarHBondContact OD1-CB 3.17Å; D99-H101 PolarHBondContact OD1-N 2.88Å; D99-N102 PolarHBondContact O-N 2.91Å | ||
| 100 | L | 45.8 | Very low | 37.6 | Very low | 102 Ų | 102 | 120.7 Ų | 120.7 | 53% | 0.534 | 68% | 0.677 | S | S | . | * | G | 310 helix | trans | -63.9 | -6.2 | 174.6 | -99.1 | 76.5 | 0 | 0 | 0 | 113 | L98 N102 | L98-L100 HydrophobicContact CB-CD1 4.44Å; L98-L100 HydrophobicContact CD2-CD1 3.75Å; L98-L100 PolarHBondContact O-N 2.71Å; L98-L100 VanDerWaalsContact O-N 3.11Å; L100-N102 VanDerWaalsContact C-N 3.31Å |
| 101 | H | 40 | Very low | 38.7 | Very low | 171 Ų | 171 | 113.4 Ų | 113.4 | 79% | 0.792 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -82.8 | -6.8 | -179 | -146.6 | -69.5 | 0 | 0 | 0 | 113.7 | D99 | D99-H101 PolarHBondContact O-N 2.86Å; D99-H101 VanDerWaalsContact O-N 3.12Å; D99-H101 WeakPolarHBondContact OD1-CB 3.17Å; D99-H101 PolarHBondContact OD1-N 2.88Å |
| 102 | N | 36.5 | Very low | 39.4 | Very low | 133 Ų | 133 | 112.5 Ų | 112.5 | 71% | 0.711 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -101.4 | 11.3 | 177.4 | -102.9 | -12.6 | 0 | 0 | 0 | 114.6 | D99 L100 P104 | D99-N102 PolarHBondContact O-N 2.91Å; L100-N102 VanDerWaalsContact C-N 3.31Å; N102-P104 WeakPolarHBondContact O-CD 3.05Å |
| 103 | F | 42.2 | Very low | 39.9 | Very low | 134 Ų | 134 | 112 Ų | 112 | 59% | 0.588 | 64% | 0.637 | S | S | * | * | trans | -114.5 | 84.2 | 171.7 | -67.2 | -81.9 | 0 | 0 | 0 | 110.3 | D105 | F103-D105 PolarHBondContact O-N 3.44Š| ||
| 104 | P | 36.7 | Very low | 39.9 | Very low | 98 Ų | 98 | 114.9 Ų | 114.9 | 64% | 0.636 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 0.6 | -175.8 | 27.9 | -34 | 0 | 0 | 0 | 114.8 | N102 | N102-P104 WeakPolarHBondContact O-CD 3.05Š|
| 105 | D | 39.7 | Very low | 40.2 | Very low | 133 Ų | 133 | 115 Ų | 115 | 71% | 0.711 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | -10.5 | -178.9 | -84.5 | -24.7 | 0 | 0 | 0 | 116.3 | F103 | F103-D105 PolarHBondContact O-N 3.44Š|
| 106 | L | 44.9 | Very low | 40.6 | Very low | 109 Ų | 109 | 116.2 Ų | 116.2 | 57% | 0.571 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | -16.9 | 178.7 | -66.7 | 176.6 | 0 | 0 | 0 | 113.7 | K108 | L106-K108 PolarHBondContact O-N 3.49Š|
| 107 | S | 38.8 | Very low | 40.3 | Very low | 101 Ų | 101 | 113.8 Ų | 113.8 | 71% | 0.706 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -9.2 | 179.7 | 61.8 | 0 | 0 | 0 | 0 | 113.8 | ||
| 108 | K | 38.3 | Very low | 40.7 | Very low | 182 Ų | 182 | 114.5 Ų | 114.5 | 79% | 0.791 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.4 | 2.2 | 179.4 | -65 | -178.2 | -176.3 | 171.6 | 0 | 114.2 | L106 D110 | L106-K108 PolarHBondContact O-N 3.49Å; K108-D110 PolarHBondContact O-N 3.07Å; K108-D110 VanDerWaalsContact O-N 3.09Å |
| 109 | A | 43.1 | Very low | 40.1 | Very low | 57 Ų | 57 | 116.2 Ų | 116.2 | 47% | 0.471 | 63% | 0.626 | S | S | . | * | trans | -68.8 | 109.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | I111 | A109-I111 WeakPolarHBondContact O-CG1 3.44Å; A109-I111 PolarHBondContact O-N 2.92Å | ||
| 110 | D | 38.7 | Very low | 39.9 | Very low | 125 Ų | 125 | 118 Ų | 118 | 67% | 0.668 | 64% | 0.64 | S | S | * | * | trans | -69.8 | 110.6 | 176.7 | -174.9 | 7.8 | 0 | 0 | 0 | 110.2 | K108 N112 | K108-D110 PolarHBondContact O-N 3.07Å; K108-D110 VanDerWaalsContact O-N 3.09Å; D110-N112 VanDerWaalsContact C-N 3.25Å; D110-N112 PolarHBondContact O-N 2.86Å; D110-N112 PolarHBondContact OD1-N 3.37Å | ||
| 111 | I | 51.5 | Low | 39.2 | Very low | 51 Ų | 51 | 118.5 Ų | 118.5 | 26% | 0.262 | 65% | 0.648 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.8 | -5.1 | -177.8 | -51.1 | 176.8 | 0 | 0 | 0 | 111.1 | A109 F292 K295 K299 | A109-I111 WeakPolarHBondContact O-CG1 3.44Å; A109-I111 PolarHBondContact O-N 2.92Å; I111-F292 HydrophobicContact CD1-CD2 4.16Å; I111-F292 HydrophobicContact CD1-CE2 4.08Å; I111-K295 HydrophobicContact CD1-CD 4.11Å; I111-K299 HydrophobicContact CG2-CD 4.17Å |
| 112 | N | 44.3 | Very low | 39.1 | Very low | 131 Ų | 131 | 117.5 Ų | 117.5 | 70% | 0.701 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | -0.4 | -179.3 | -78.6 | 14.7 | 0 | 0 | 0 | 114.3 | D110 K295 | D110-N112 VanDerWaalsContact C-N 3.25Å; D110-N112 PolarHBondContact O-N 2.86Å; D110-N112 PolarHBondContact OD1-N 3.37Å; N112-K295 PolarHBondContact OD1-NZ 3.36Å |
| 113 | G | 40.9 | Very low | 38.7 | Very low | 52 Ų | 52 | 118.9 Ų | 118.9 | 54% | 0.536 | 65% | 0.648 | S | S | . | * | P | Polyproline II helix | trans | -77.9 | 123.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | N115 | G113-N115 PolarHBondContact O-N 3.21Š|
| 114 | Q | 40.2 | Very low | 38.4 | Very low | 194 Ų | 194 | 118 Ų | 118 | 91% | 0.907 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 122.4 | 164.4 | -112.1 | 161.5 | -27 | 0 | 0 | 109 | P116 | Q114-P116 VanDerWaalsContact O-CD 3.31Å; Q114-P116 WeakPolarHBondContact O-CD 3Å |
| 115 | N | 37.8 | Very low | 38.3 | Very low | 76 Ų | 76 | 119.4 Ų | 119.4 | 41% | 0.406 | 66% | 0.661 | S | S | . | * | P | Polyproline II helix | trans | -68.6 | 127.9 | -171.4 | 179.5 | 6.1 | 0 | 0 | 0 | 113.4 | G113 N117 | G113-N115 PolarHBondContact O-N 3.21Å; N115-N117 PolarHBondContact OD1-N 3.06Å; N115-N117 VanDerWaalsContact OD1-N 3.08Å |
| 116 | P | 40.1 | Very low | 38.3 | Very low | 110 Ų | 110 | 120.5 Ų | 120.5 | 71% | 0.714 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -126.7 | 104.1 | 151 | 32.5 | -12.8 | 0 | 0 | 0 | 109.4 | Q114 | Q114-P116 VanDerWaalsContact O-CD 3.31Å; Q114-P116 WeakPolarHBondContact O-CD 3Å |
| 117 | N | 33.7 | Very low | 37.4 | Very low | 124 Ų | 124 | 118.3 Ų | 118.3 | 66% | 0.663 | 67% | 0.67 | S | S | * | * | trans | 67.2 | 109 | -178 | -61.1 | -46.9 | 0 | 0 | 0 | 114.9 | N115 Q119 | N115-N117 PolarHBondContact OD1-N 3.06Å; N115-N117 VanDerWaalsContact OD1-N 3.08Å; N117-Q119 VanDerWaalsContact C-N 3.3Å; N117-Q119 HydrophobicContact CB-CG 4.24Å; N117-Q119 PolarHBondContact O-N 2.81Å | ||
| 118 | I | 41.1 | Very low | 37 | Very low | 121 Ų | 121 | 122 Ų | 122 | 62% | 0.621 | 68% | 0.681 | S | S | * | * | trans | -58.5 | 96.2 | 160.8 | -61.7 | 167.5 | 0 | 0 | 0 | 107.4 | V120 | I118-V120 HydrophobicContact CG2-CG2 4.28Š| ||
| 119 | Q | 30.1 | Very low | 37 | Very low | 152 Ų | 152 | 123 Ų | 123 | 71% | 0.71 | 69% | 0.689 | S | S | * | * | trans | -107.8 | 102.9 | 166.8 | -68.8 | -170.2 | -13.3 | 0 | 0 | 107.1 | N117 T121 | N117-Q119 VanDerWaalsContact C-N 3.3Å; N117-Q119 HydrophobicContact CB-CG 4.24Å; N117-Q119 PolarHBondContact O-N 2.81Å; Q119-T121 PolarHBondContact O-N 3.42Å | ||
| 120 | V | 32.8 | Very low | 36.3 | Very low | 122 Ų | 122 | 123.9 Ų | 123.9 | 74% | 0.739 | 70% | 0.703 | S | S | * | * | trans | -81.9 | 97.2 | 164 | -176.1 | 0 | 0 | 0 | 0 | 105.7 | I118 I122 | I118-V120 HydrophobicContact CG2-CG2 4.28Å; V120-I122 PolarHBondContact O-N 3.18Å | ||
| 121 | T | 31.8 | Very low | 35.8 | Very low | 113 Ų | 113 | 126.9 Ų | 126.9 | 69% | 0.693 | 71% | 0.713 | S | S | * | * | trans | -71.8 | 108.5 | 170.6 | 42.8 | 0 | 0 | 0 | 0 | 108.3 | Q119 E123 | Q119-T121 PolarHBondContact O-N 3.42Å; T121-E123 PolarHBondContact O-N 3.3Å | ||
| 122 | I | 38.8 | Very low | 34.8 | Very low | 149 Ų | 149 | 131.4 Ų | 131.4 | 76% | 0.764 | 73% | 0.733 | S | S | * | * | trans | -71.4 | 111.2 | 166.8 | -61.3 | 167.3 | 0 | 0 | 0 | 106 | V120 V124 | V120-I122 PolarHBondContact O-N 3.18Å; I122-V124 PolarHBondContact O-N 2.81Å; I122-V124 VanDerWaalsContact O-N 3.12Å | ||
| 123 | E | 27.8 | Very low | 34.2 | Very low | 162 Ų | 162 | 131 Ų | 131 | 76% | 0.757 | 74% | 0.737 | S | S | * | * | trans | -68.2 | 108.1 | 171.3 | -69.7 | -171 | 166.8 | 0 | 0 | 108.9 | T121 V125 | T121-E123 PolarHBondContact O-N 3.3Å; E123-V125 PolarHBondContact O-N 2.83Å | ||
| 124 | V | 35.9 | Very low | 33.8 | Very low | 115 Ų | 115 | 136.5 Ų | 136.5 | 70% | 0.697 | 75% | 0.749 | S | S | * | * | trans | -76.7 | 108.7 | 160.9 | -178.2 | 0 | 0 | 0 | 0 | 105.8 | I122 D126 | I122-V124 PolarHBondContact O-N 2.81Å; I122-V124 VanDerWaalsContact O-N 3.12Å; V124-D126 PolarHBondContact O-N 3.42Å | ||
| 125 | V | 33.6 | Very low | 33.4 | Very low | 129 Ų | 129 | 139.4 Ų | 139.4 | 78% | 0.782 | 75% | 0.752 | S | S | * | * | trans | -71.6 | 107.4 | 170.2 | 179.6 | 0 | 0 | 0 | 0 | 107.4 | E123 | E123-V125 PolarHBondContact O-N 2.83Š| ||
| 126 | D | 39.4 | Very low | 32.9 | Very low | 155 Ų | 155 | 139.7 Ų | 139.7 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | trans | -78.5 | 133.9 | 168.5 | -88.7 | -30.9 | 0 | 0 | 0 | 111 | V124 | V124-D126 PolarHBondContact O-N 3.42Š| ||
| 127 | G | 27.7 | Very low | 32.4 | Very low | 64 Ų | 64 | 142.5 Ų | 142.5 | 66% | 0.66 | 78% | 0.781 | S | S | * | * | trans | 159.6 | 122.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 128 | L | 29.9 | Very low | 32.2 | Very low | 178 Ų | 178 | 147.8 Ų | 147.8 | 93% | 0.932 | 79% | 0.791 | S | S | * | * | cis | -140.7 | 154.8 | 23.3 | -85.9 | 104.2 | 0 | 0 | 0 | 112 | ||||
| 129 | E | 37.5 | Very low | 31.5 | Very low | 203 Ų | 203 | 151 Ų | 151 | 95% | 0.949 | 80% | 0.801 | S | S | * | * | trans | -49.5 | 138.7 | 170.6 | -62.5 | 178.2 | 148.4 | 0 | 0 | 113.9 | ||||
| 130 | G | 29.6 | Very low | 31.4 | Very low | 75 Ų | 75 | 152 Ų | 152 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -159.8 | 77.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 131 | H | 27.9 | Very low | 31 | Very low | 189 Ų | 189 | 152 Ų | 152 | 88% | 0.875 | 81% | 0.811 | S | S | * | * | trans | 38 | 115 | 148.2 | -134.8 | -83.9 | 0 | 0 | 0 | 120.4 | ||||
| 132 | E | 29.1 | Very low | 30.8 | Very low | 146 Ų | 146 | 155.5 Ų | 155.5 | 68% | 0.682 | 82% | 0.816 | S | S | * | * | trans | -50.9 | 154.3 | 158.4 | -86.7 | -86.7 | 130.7 | 0 | 0 | 113.2 | E134 | E132-E134 PolarHBondContact OE2-N 3.23Š| ||
| 133 | P | 32.3 | Very low | 30.8 | Very low | 122 Ų | 122 | 153.6 Ų | 153.6 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | -140.5 | 128.4 | 97.7 | 34.3 | -18.5 | 0 | 0 | 0 | 115.6 | |||||
| 134 | E | 33.3 | Very low | 30.6 | Very low | 168 Ų | 168 | 152.6 Ų | 152.6 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | 11.2 | 128.9 | 141.3 | -68.8 | -163.5 | 151.4 | 0 | 0 | 119.1 | E132 | E132-E134 PolarHBondContact OE2-N 3.23Š| ||
| 135 | R | 30.8 | Very low | 30.2 | Very low | 255 Ų | 255 | 158 Ų | 158 | 96% | 0.962 | 82% | 0.822 | S | S | * | * | -163.6 | 121.4 | 129 | -107 | 172.7 | -153.5 | -170.4 | 7.3 | 112.7 | |||||
| 136 | G | 28 | Very low | 29.8 | Very low | 82 Ų | 82 | 156.4 Ų | 156.4 | 85% | 0.845 | 82% | 0.822 | S | S | * | * | 97.9 | 82.5 | 129.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 137 | L | 30.4 | Very low | 29.8 | Very low | 169 Ų | 169 | 154 Ų | 154 | 89% | 0.885 | 82% | 0.818 | S | S | * | * | trans | -50.8 | 134.5 | 162.7 | -165.9 | 79.1 | 0 | 0 | 0 | 115 | ||||
| 138 | R | 27.9 | Very low | 30.1 | Very low | 234 Ų | 234 | 156.9 Ų | 156.9 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | trans | -168.4 | 105.4 | 136.8 | -79.4 | -129.5 | 170.1 | -146.5 | -3.5 | 109.8 | ||||
| 139 | K | 27.6 | Very low | 30.2 | Very low | 190 Ų | 190 | 154.9 Ų | 154.9 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | 84.6 | 121 | 78.9 | -147.8 | 175.5 | -169.8 | 180 | 0 | 114.1 | |||||
| 140 | E | 26.9 | Very low | 30.1 | Very low | 173 Ų | 173 | 156.2 Ų | 156.2 | 81% | 0.808 | 81% | 0.811 | S | S | * | * | trans | -60.5 | 160.2 | -167.5 | -60.3 | 169.7 | 120 | 0 | 0 | 117.9 | ||||
| 141 | S | 23.8 | Very low | 30.5 | Very low | 121 Ų | 121 | 162.4 Ų | 162.4 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -150.5 | 109.4 | 134.9 | 61.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 142 | K | 28.9 | Very low | 31 | Very low | 186 Ų | 186 | 160.9 Ų | 160.9 | 81% | 0.809 | 81% | 0.809 | S | S | * | * | trans | -88.7 | 167.6 | 153.7 | -83.2 | 179.8 | 178.5 | 172.8 | 0 | 107.9 | ||||
| 143 | P | 38.2 | Very low | 31.2 | Very low | 110 Ų | 110 | 165.8 Ų | 165.8 | 71% | 0.714 | 82% | 0.822 | S | S | * | * | cis | -153.2 | 179.3 | 33.9 | 39.2 | -15.4 | 0 | 0 | 0 | 119.6 | ||||
| 144 | N | 22.8 | Very low | 31.2 | Very low | 140 Ų | 140 | 171.1 Ų | 171.1 | 75% | 0.749 | 83% | 0.826 | S | S | * | * | trans | 84.8 | 99.1 | 144.6 | -84.5 | 3.5 | 0 | 0 | 0 | 124.1 | ||||
| 145 | W | 28.1 | Very low | 31.3 | Very low | 229 Ų | 229 | 169.1 Ų | 169.1 | 87% | 0.867 | 83% | 0.828 | S | S | * | * | 46 | 119.1 | 117 | -123.1 | -65.9 | 0 | 0 | 0 | 121.4 | |||||
| 146 | A | 24.8 | Very low | 31.2 | Very low | 95 Ų | 95 | 165.6 Ų | 165.6 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | -170.2 | 132.5 | 130 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 147 | S | 40.3 | Very low | 31.3 | Very low | 106 Ų | 106 | 168.2 Ų | 168.2 | 74% | 0.741 | 82% | 0.822 | S | S | * | * | trans | -80.6 | 148.1 | 171.8 | -40.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 148 | P | 34.5 | Very low | 31.1 | Very low | 123 Ų | 123 | 165.8 Ų | 165.8 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | trans | -130.1 | 112.2 | 155.9 | 27.5 | -9.4 | 0 | 0 | 0 | 111.5 | ||||
| 149 | N | 31.3 | Very low | 31 | Very low | 136 Ų | 136 | 159.9 Ų | 159.9 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | 67.4 | 97.6 | 86.4 | -151.1 | 9 | 0 | 0 | 0 | 114.5 | R151 | N149-R151 PolarHBondContact O-N 3.24Š| |||
| 150 | W | 34.7 | Very low | 30.9 | Very low | 232 Ų | 232 | 155.5 Ų | 155.5 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | trans | -89.7 | 75 | 180 | 58.3 | -78.9 | 0 | 0 | 0 | 110.4 | ||||
| 151 | R | 39.8 | Very low | 30.8 | Very low | 205 Ų | 205 | 152.5 Ų | 152.5 | 77% | 0.774 | 81% | 0.805 | S | S | * | * | trans | -138.8 | 108.1 | 161.5 | -75.7 | -172.4 | -177.6 | -125 | 0.2 | 106.2 | N149 | N149-R151 PolarHBondContact O-N 3.24Š| ||
| 152 | N | 38.6 | Very low | 31 | Very low | 156 Ų | 156 | 152.6 Ų | 152.6 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | trans | 166.3 | 27.4 | 148.7 | -79.8 | -5.5 | 0 | 0 | 0 | 114.3 | ||||
| 153 | W | 32.1 | Very low | 30.9 | Very low | 250 Ų | 250 | 152.2 Ų | 152.2 | 95% | 0.947 | 81% | 0.806 | S | S | * | * | trans | -109.1 | 55.9 | 174.7 | -94.1 | 22.9 | 0 | 0 | 0 | 113.7 | ||||
| 154 | W | 31.6 | Very low | 30.4 | Very low | 233 Ų | 233 | 156.3 Ų | 156.3 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | trans | -143.3 | 126.6 | 155.1 | -63.7 | 101 | 0 | 0 | 0 | 109.6 | ||||
| 155 | P | 35.5 | Very low | 30.6 | Very low | 127 Ų | 127 | 155.9 Ų | 155.9 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 120 | 152.5 | 4.7 | 14.9 | 0 | 0 | 0 | 109.1 | ||
| 156 | H | 28.9 | Very low | 30.7 | Very low | 180 Ų | 180 | 154.6 Ų | 154.6 | 83% | 0.833 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 140.1 | 161.5 | -69.3 | -80.9 | 0 | 0 | 0 | 110 | ||
| 157 | T | 29.9 | Very low | 30.9 | Very low | 137 Ų | 137 | 158.6 Ų | 158.6 | 84% | 0.84 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 142 | 163.5 | 43.6 | 0 | 0 | 0 | 0 | 110.4 | ||
| 158 | S | 26.3 | Very low | 30.5 | Very low | 119 Ų | 119 | 162.3 Ų | 162.3 | 83% | 0.832 | 83% | 0.83 | S | S | * | * | trans | -164.2 | 138.9 | 153.6 | -70.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 159 | S | 26.9 | Very low | 30.2 | Very low | 110 Ų | 110 | 162.7 Ų | 162.7 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | trans | -54.4 | 161 | -179.3 | 50.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 160 | S | 25.6 | Very low | 30.1 | Very low | 98 Ų | 98 | 167.1 Ų | 167.1 | 69% | 0.685 | 83% | 0.832 | S | S | * | * | -177.8 | 144.5 | 66.1 | -47.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 161 | S | 24.2 | Very low | 29.9 | Very low | 110 Ų | 110 | 160.6 Ų | 160.6 | 77% | 0.769 | 82% | 0.822 | S | S | * | * | trans | 45.6 | 124.2 | 141.3 | 57.7 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 162 | S | 28.4 | Very low | 29.3 | Very low | 122 Ų | 122 | 161.9 Ų | 161.9 | 85% | 0.853 | 83% | 0.828 | S | S | * | * | -172.2 | 150.7 | 114.6 | 40.9 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 163 | H | 26.1 | Very low | 28.9 | Very low | 178 Ų | 178 | 158 Ų | 158 | 82% | 0.824 | 83% | 0.825 | S | S | * | * | trans | -51.5 | 145.8 | -175.6 | -79.1 | -110.4 | 0 | 0 | 0 | 116.7 | ||||
| 164 | Q | 28.9 | Very low | 28.8 | Very low | 196 Ų | 196 | 157.1 Ų | 157.1 | 92% | 0.916 | 82% | 0.821 | S | S | * | * | -176.8 | 124.9 | 110.5 | -95.8 | 174 | 31 | 0 | 0 | 111 | |||||
| 165 | T | 27.1 | Very low | 28.6 | Very low | 132 Ų | 132 | 156 Ų | 156 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | trans | -90.4 | 135.7 | 167.7 | 31.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 166 | E | 29.4 | Very low | 28.5 | Very low | 201 Ų | 201 | 155 Ų | 155 | 94% | 0.939 | 81% | 0.814 | S | S | * | * | trans | -155.5 | 135.6 | 148.7 | -113.7 | 172.6 | -157.2 | 0 | 0 | 111 | ||||
| 167 | E | 28.1 | Very low | 28.8 | Very low | 180 Ų | 180 | 154.1 Ų | 154.1 | 84% | 0.841 | 81% | 0.811 | S | S | * | * | trans | -79.6 | 148.7 | -172.8 | -62.3 | 170.7 | 137.2 | 0 | 0 | 112 | ||||
| 168 | H | 32.8 | Very low | 28.9 | Very low | 184 Ų | 184 | 153.9 Ų | 153.9 | 85% | 0.852 | 80% | 0.804 | S | S | * | * | trans | -158.2 | 119.9 | 131.7 | -110.7 | -45.4 | 0 | 0 | 0 | 113.3 | ||||
| 169 | D | 27.4 | Very low | 29.4 | Very low | 131 Ų | 131 | 152.8 Ų | 152.8 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | -61 | 146.2 | 171.6 | -166.5 | 5.8 | 0 | 0 | 0 | 113.4 | ||||
| 170 | R | 29.5 | Very low | 29.7 | Very low | 229 Ų | 229 | 154.5 Ų | 154.5 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | -174.3 | 99.2 | 145.1 | -101.5 | 172.6 | -154.9 | 112.9 | -0.1 | 111.7 | ||||
| 171 | S | 30.4 | Very low | 29.9 | Very low | 95 Ų | 95 | 160 Ų | 160 | 66% | 0.664 | 81% | 0.809 | S | S | * | * | trans | -58.4 | 140.9 | 156.3 | 173.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 172 | Y | 27.9 | Very low | 30.3 | Very low | 232 Ų | 232 | 162.4 Ų | 162.4 | 91% | 0.91 | 81% | 0.812 | S | S | * | * | 176.7 | 134.8 | 128.1 | -114.4 | -93 | 0 | 0 | 0 | 112 | |||||
| 173 | G | 30 | Very low | 30.6 | Very low | 74 Ų | 74 | 168.2 Ų | 168.2 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | trans | 111.2 | 78.8 | 144.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 174 | R | 30 | Very low | 31.2 | Very low | 232 Ų | 232 | 165.1 Ų | 165.1 | 88% | 0.875 | 81% | 0.811 | S | S | * | * | trans | -53.1 | 137.1 | 157.2 | 174.2 | -171.2 | -118.5 | -159.9 | -1.8 | 111.7 | ||||
| 175 | K | 27.4 | Very low | 31.5 | Very low | 208 Ų | 208 | 162 Ų | 162 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | trans | -156.2 | 133.2 | 133 | -98.5 | -174 | -170.3 | -175.4 | 0 | 111.2 | ||||
| 176 | T | 33.7 | Very low | 31.8 | Very low | 106 Ų | 106 | 161.1 Ų | 161.1 | 65% | 0.65 | 81% | 0.807 | S | S | * | * | trans | -80.9 | 168.2 | 177.7 | 36.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 177 | E | 34.7 | Very low | 32 | Very low | 163 Ų | 163 | 158.3 Ų | 158.3 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | 108.3 | 110.1 | 155.5 | -67.5 | 172.4 | -169.2 | 0 | 0 | 117.5 | ||||
| 178 | D | 31.2 | Very low | 32.3 | Very low | 131 Ų | 131 | 162.2 Ų | 162.2 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | 89.2 | 101.9 | 122.2 | -62.5 | -6.4 | 0 | 0 | 0 | 120.4 | |||||
| 179 | S | 37.8 | Very low | 32.2 | Very low | 96 Ų | 96 | 160.2 Ų | 160.2 | 67% | 0.671 | 80% | 0.802 | S | S | * | * | 95.9 | 133.2 | 112.7 | 76 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 180 | N | 32.9 | Very low | 32.5 | Very low | 147 Ų | 147 | 163.7 Ų | 163.7 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | trans | 84 | 74.9 | 150 | -54.7 | -36.6 | 0 | 0 | 0 | 118.7 | L182 | N180-L182 VanDerWaalsContact C-N 3.28Å; N180-L182 PolarHBondContact O-N 2.83Å | ||
| 181 | F | 29.3 | Very low | 32.5 | Very low | 212 Ų | 212 | 163 Ų | 163 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | trans | -82 | 68.5 | 158.6 | -161.1 | -96.1 | 0 | 0 | 0 | 110.7 | ||||
| 182 | L | 33.7 | Very low | 32.4 | Very low | 161 Ų | 161 | 162 Ų | 162 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | -146.3 | 83.5 | 164.9 | -74.9 | -178.3 | 0 | 0 | 0 | 110.3 | N180 | N180-L182 VanDerWaalsContact C-N 3.28Å; N180-L182 PolarHBondContact O-N 2.83Å | ||
| 183 | R | 34 | Very low | 32.8 | Very low | 244 Ų | 244 | 157 Ų | 157 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | 178.5 | 149.2 | 132.2 | -99.4 | 168.9 | 178.5 | 168.3 | 0.5 | 112.7 | ||||
| 184 | P | 38.7 | Very low | 33 | Very low | 113 Ų | 113 | 163 Ų | 163 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | trans | -91.5 | 148.7 | -166.7 | 36.2 | -31.7 | 0 | 0 | 0 | 112.1 | ||||
| 185 | P | 35.9 | Very low | 33.6 | Very low | 132 Ų | 132 | 157.2 Ų | 157.2 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | trans | -91.4 | 107.1 | 166.1 | -3.5 | 23 | 0 | 0 | 0 | 110.3 | ||||
| 186 | S | 33.8 | Very low | 33.9 | Very low | 112 Ų | 112 | 155.3 Ų | 155.3 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | trans | -75 | 147.9 | 147.1 | 49 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 187 | D | 33.4 | Very low | 34 | Very low | 142 Ų | 142 | 155.8 Ų | 155.8 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | trans | 106.1 | 88.6 | 155.4 | -137.1 | 8.4 | 0 | 0 | 0 | 117.1 | ||||
| 188 | W | 32.9 | Very low | 34.1 | Very low | 263 Ų | 263 | 156.1 Ų | 156.1 | 100% | 0.996 | 81% | 0.811 | S | S | * | * | trans | -139.4 | 97.3 | 147.4 | -111.5 | -64.4 | 0 | 0 | 0 | 108.8 | ||||
| 189 | D | 31.5 | Very low | 34.3 | Very low | 142 Ų | 142 | 158.9 Ų | 158.9 | 76% | 0.759 | 81% | 0.813 | S | S | * | * | trans | -116.8 | 105.1 | 166.1 | -140.2 | -14.4 | 0 | 0 | 0 | 109 | ||||
| 190 | R | 33.2 | Very low | 34.2 | Very low | 203 Ų | 203 | 159.7 Ų | 159.7 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | trans | 156.2 | 117.8 | 131.4 | -93.2 | 177.2 | 159.7 | 165.8 | -1.3 | 114.3 | ||||
| 191 | R | 30.1 | Very low | 34.7 | Very low | 216 Ų | 216 | 162.6 Ų | 162.6 | 82% | 0.815 | 81% | 0.811 | S | S | * | * | 109.2 | 111.4 | 125.7 | -136 | 179.7 | -64.4 | -116.7 | 6.4 | 116.3 | |||||
| 192 | G | 29.4 | Very low | 35.4 | Very low | 74 Ų | 74 | 159.8 Ų | 159.8 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | trans | 165 | 66.2 | 163 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 193 | S | 35.6 | Very low | 36.3 | Very low | 126 Ų | 126 | 158.4 Ų | 158.4 | 88% | 0.881 | 80% | 0.796 | S | S | * | * | trans | -58 | 126.1 | -177.7 | -41.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 194 | K | 34.6 | Very low | 37.2 | Very low | 201 Ų | 201 | 148.6 Ų | 148.6 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | trans | -143.2 | 131.8 | 150.9 | -97.6 | -178.3 | -178.9 | 173.3 | 0 | 109.1 | Q196 | K194-Q196 PolarHBondContact O-N 3.01Š| ||
| 195 | A | 41.8 | Very low | 38.2 | Very low | 110 Ų | 110 | 147.2 Ų | 147.2 | 91% | 0.909 | 76% | 0.755 | S | S | * | * | trans | -47.1 | 114.6 | -171 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 196 | Q | 34.3 | Very low | 39.7 | Very low | 168 Ų | 168 | 142 Ų | 142 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | trans | -99.2 | 119.8 | 154.7 | -96.5 | 171.4 | -49 | 0 | 0 | 106.9 | K194 E198 | K194-Q196 PolarHBondContact O-N 3.01Å; Q196-E198 VanDerWaalsContact C-N 3.32Å; Q196-E198 PolarHBondContact O-N 3.46Å | ||
| 197 | T | 36 | Very low | 41.9 | Very low | 115 Ų | 115 | 144.3 Ų | 144.3 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | trans | -58.2 | 102.3 | 155.4 | 37.5 | 0 | 0 | 0 | 0 | 107.5 | Y199 | T197-Y199 WeakPolarHBondContact O-CD1 3.01Å; T197-Y199 VanDerWaalsContact O-CE1 3.23Å; T197-Y199 WeakPolarHBondContact O-CE1 3.24Å; T197-Y199 PolarHBondContact O-N 3.2Å; T197-Y199 VanDerWaalsContact O-N 3.15Å | ||
| 198 | E | 35.8 | Very low | 44.3 | Very low | 171 Ų | 171 | 141.2 Ų | 141.2 | 80% | 0.799 | 71% | 0.707 | S | S | * | * | trans | -59.8 | 99 | 169.2 | -175.1 | 168.1 | -161.8 | 0 | 0 | 108.9 | Q196 D200 | Q196-E198 VanDerWaalsContact C-N 3.32Å; Q196-E198 PolarHBondContact O-N 3.46Å; E198-D200 VanDerWaalsContact C-N 3.32Å; E198-D200 PolarHBondContact O-N 3.25Å | ||
| 199 | Y | 36 | Very low | 46.8 | Very low | 189 Ų | 189 | 131 Ų | 131 | 74% | 0.741 | 68% | 0.675 | S | S | * | * | trans | -81.1 | 93.5 | 156.2 | 10.7 | -92.9 | 0 | 0 | 0 | 105.7 | T197 Y201 | T197-Y199 WeakPolarHBondContact O-CD1 3.01Å; T197-Y199 VanDerWaalsContact O-CE1 3.23Å; T197-Y199 WeakPolarHBondContact O-CE1 3.24Å; T197-Y199 PolarHBondContact O-N 3.2Å; T197-Y199 VanDerWaalsContact O-N 3.15Å; Y199-Y201 PolarHBondContact O-N 2.04Å | ||
| 200 | D | 35.6 | Very low | 49.6 | Very low | 112 Ų | 112 | 129.2 Ų | 129.2 | 60% | 0.599 | 67% | 0.674 | S | S | * | * | trans | -57.2 | 99.7 | 171.3 | -156.4 | 7.2 | 0 | 0 | 0 | 108.3 | E198 M202 | E198-D200 VanDerWaalsContact C-N 3.32Å; E198-D200 PolarHBondContact O-N 3.25Å; D200-M202 VanDerWaalsContact C-N 3.25Å; D200-M202 PolarHBondContact O-N 3.29Å | ||
| 201 | Y | 42.8 | Very low | 52.2 | Low | 209 Ų | 209 | 122.2 Ų | 122.2 | 82% | 0.82 | 65% | 0.648 | S | S | * | * | trans | -73.9 | 89.7 | 169.8 | -165.1 | -89.4 | 0 | 0 | 0 | 106 | Y199 D203 | Y199-Y201 PolarHBondContact O-N 2.04Å; Y201-D203 VanDerWaalsContact C-N 3.31Å; Y201-D203 PolarHBondContact O-N 3.29Å | ||
| 202 | M | 43.7 | Very low | 54.8 | Low | 153 Ų | 153 | 114.6 Ų | 114.6 | 75% | 0.754 | 63% | 0.627 | S | S | * | * | trans | -55.7 | 95.4 | 169 | -80.7 | -81.9 | 175.5 | 0 | 0 | 109 | D200 G204 | D200-M202 VanDerWaalsContact C-N 3.25Å; D200-M202 PolarHBondContact O-N 3.29Å; M202-G204 VanDerWaalsContact C-N 3.27Å; M202-G204 PolarHBondContact O-N 3.26Å | ||
| 203 | D | 53.4 | Low | 57.5 | Low | 131 Ų | 131 | 115.2 Ų | 115.2 | 70% | 0.701 | 63% | 0.625 | S | S | * | * | trans | -65.2 | 90 | 163.7 | -172.4 | 27.1 | 0 | 0 | 0 | 107.5 | Y201 E205 | Y201-D203 VanDerWaalsContact C-N 3.31Å; Y201-D203 PolarHBondContact O-N 3.29Å; D203-E205 PolarHBondContact O-N 3.04Å | ||
| 204 | G | 53.8 | Low | 60 | Low | 39 Ų | 39 | 110.5 Ų | 110.5 | 40% | 0.402 | 59% | 0.592 | S | S | . | * | trans | -77.7 | 38.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | M202 G206 C229 G230 | M202-G204 VanDerWaalsContact C-N 3.27Å; M202-G204 PolarHBondContact O-N 3.26Å; G204-G206 PolarHBondContact O-N 2.95Å; G204-C229 CarbonylContact O-C 3.37Å; G204-G230 WeakPolarHBondContact O-CA 2.98Å; G204-G230 PolarHBondContact O-N 2.88Å | ||
| 205 | E | 59.2 | Low | 62.2 | Low | 84 Ų | 84 | 104.9 Ų | 104.9 | 39% | 0.393 | 58% | 0.578 | S | S | . | * | B | Isolated β-bridge | trans | -84.3 | 91.5 | 163.5 | -145.8 | 83.9 | -148.9 | 0 | 0 | 106.7 | D203 R227 S228 C229 | D203-E205 PolarHBondContact O-N 3.04Å; E205-R227 IonicContact OE1-CZ 3.08Å; E205-R227 VanDerWaalsContact OE1-CZ 3.26Å; E205-R227 IonicContact OE1-NE 3.74Å; E205-R227 PolarHBondContact OE1-NE 3.03Å; E205-R227 IonicContact OE1-NH2 2.65Å; E205-R227 PolarHBondContact OE1-NH2 3.08Å; E205-S228 CarbonylContact C-O 3.46Å; E205-C229 WeakPolarHBondContact OE1-CB 3.32Å |
| 206 | G | 66.9 | Low | 64 | Low | 22 Ų | 22 | 102 Ų | 102 | 23% | 0.227 | 55% | 0.549 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 152.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.3 | G204 R227 S228 | G204-G206 PolarHBondContact O-N 2.95Å; G206-R227 WeakPolarHBondContact O-CB 3.45Å; G206-S228 WeakPolarHBondContact CA-OG 3.5Å; G206-S228 PolarHBondContact N-O 3.13Å |
| 207 | D | 81.1 | Confident | 66.3 | Low | 160 Ų | 160 | 100.1 Ų | 100.1 | 86% | 0.856 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 149.7 | 174 | -77.1 | -43.1 | 0 | 0 | 0 | 111.4 | S209 | D207-S209 PolarHBondContact O-N 3.48Š|
| 208 | W | 83.1 | Confident | 68.4 | Low | 78 Ų | 78 | 96.2 Ų | 96.2 | 30% | 0.295 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 134.1 | 171.1 | -74.5 | 104.6 | 0 | 0 | 0 | 111 | R225 T226 R227 A235 E237 | W208-R225 HydrophobicContact CD2-CG 4.26Å; W208-R225 HydrophobicContact CE3-CB 4.39Å; W208-R225 HydrophobicContact CE3-CG 3.66Å; W208-R225 HydrophobicContact CZ3-CG 4.21Å; W208-T226 VanDerWaalsContact CE3-C 3.44Å; W208-R227 HydrophobicContact CD2-CB 3.8Å; W208-R227 HydrophobicContact CD2-CG 3.83Å; W208-R227 VanDerWaalsContact CE2-CD 3.47Å; W208-R227 HydrophobicContact CE3-CB 3.69Å; W208-R227 HydrophobicContact CE3-CG 3.8Å; W208-R227 HydrophobicContact CG-CB 4.2Å; W208-R227 HydrophobicContact CH2-CG 3.84Å; W208-R227 HydrophobicContact CZ2-CG 3.87Å; W208-R227 HydrophobicContact CZ3-CB 4.13Å; W208-R227 HydrophobicContact CZ3-CG 3.81Å; W208-A235 HydrophobicContact CH2-CB 3.97Å; W208-A235 VanDerWaalsContact CZ3-O 3.29Å; W208-A235 WeakPolarHBondContact CZ3-O 3.44Å; W208-E237 HydrophobicContact CE3-CB 4.42Å; W208-E237 HydrophobicContact CH2-CB 3.66Å; W208-E237 HydrophobicContact CZ2-CB 4.24Å; W208-E237 HydrophobicContact CZ3-CB 3.75Å |
| 209 | S | 85.6 | Confident | 70.5 | Confident | 47 Ų | 47 | 88.8 Ų | 88.8 | 33% | 0.329 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 160.4 | 168.3 | 64.6 | 0 | 0 | 0 | 0 | 111.2 | D207 R225 T226 | D207-S209 PolarHBondContact O-N 3.48Å; S209-R225 WeakPolarHBondContact O-CB 3.04Å; S209-T226 WeakPolarHBondContact CB-O 3.34Å; S209-T226 PolarHBondContact N-O 3.38Å; S209-T226 PolarHBondContact OG-N 3.45Å; S209-T226 PolarHBondContact OG-O 3.32Å; S209-T226 PolarHBondContact OG-OG1 3.49Å |
| 210 | S | 89.7 | Confident | 72.6 | Confident | 106 Ų | 106 | 86 Ų | 86 | 74% | 0.741 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 145 | 169.8 | 53 | 0 | 0 | 0 | 0 | 110.3 | S212 | S210-S212 PolarHBondContact O-N 3.49Š|
| 211 | W | 87.6 | Confident | 74.8 | Confident | 56 Ų | 56 | 80.8 Ų | 80.8 | 21% | 0.212 | 47% | 0.466 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 136.8 | 172.8 | -68.4 | 99.6 | 0 | 0 | 0 | 111.4 | Q223 R225 E237 R239 | W211-Q223 HydrophobicContact CE3-CB 4.36Å; W211-Q223 WeakPolarHBondContact CZ3-O 3.23Å; W211-R225 HydrophobicContact CD2-CB 4.12Å; W211-R225 HydrophobicContact CD2-CG 3.95Å; W211-R225 VanDerWaalsContact CE2-CD 3.42Å; W211-R225 HydrophobicContact CE3-CB 3.95Å; W211-R225 HydrophobicContact CE3-CG 3.81Å; W211-R225 HydrophobicContact CH2-CG 3.8Å; W211-R225 HydrophobicContact CZ2-CG 3.93Å; W211-R225 VanDerWaalsContact CZ2-NE 3.29Å; W211-R225 HydrophobicContact CZ3-CB 4.29Å; W211-R225 HydrophobicContact CZ3-CG 3.72Å; W211-E237 HydrophobicContact CH2-CB 4.17Å; W211-E237 HydrophobicContact CH2-CG 3.85Å; W211-E237 WeakPolarHBondContact CZ3-O 3.37Å; W211-R239 HydrophobicContact CD2-CG 4.09Å; W211-R239 VanDerWaalsContact CE2-CD 3.47Å; W211-R239 HydrophobicContact CE3-CG 3.76Å; W211-R239 VanDerWaalsContact CG-CZ 3.43Å; W211-R239 VanDerWaalsContact CG-NH2 3.33Å; W211-R239 HydrophobicContact CH2-CB 3.73Å; W211-R239 HydrophobicContact CH2-CG 3.69Å; W211-R239 HydrophobicContact CZ2-CB 4.29Å; W211-R239 HydrophobicContact CZ2-CG 4.02Å; W211-R239 HydrophobicContact CZ3-CB 3.92Å; W211-R239 HydrophobicContact CZ3-CG 3.56Å |
| 212 | S | 85.3 | Confident | 76.8 | Confident | 55 Ų | 55 | 74.7 Ų | 74.7 | 39% | 0.385 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 161.2 | 170.3 | 74.9 | 0 | 0 | 0 | 0 | 110.6 | S210 Q223 K224 | S210-S212 PolarHBondContact O-N 3.49Å; S212-Q223 VanDerWaalsContact O-CB 3.23Å; S212-Q223 WeakPolarHBondContact O-CB 3.4Å; S212-Q223 WeakPolarHBondContact OG-CA 3.36Å; S212-K224 WeakPolarHBondContact CB-O 3.31Å; S212-K224 PolarHBondContact N-O 2.94Å; S212-K224 PolarHBondContact OG-N 3.34Å; S212-K224 PolarHBondContact OG-O 2.98Å |
| 213 | A | 86.2 | Confident | 78.6 | Confident | 88 Ų | 88 | 68.9 Ų | 68.9 | 73% | 0.727 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -54.9 | 152.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | S215 | A213-S215 PolarHBondContact O-N 3.19Š|
| 214 | C | 87.1 | Confident | 80.2 | Confident | 26 Ų | 26 | 68.7 Ų | 68.7 | 18% | 0.176 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 137.8 | 173.8 | -168.7 | 0 | 0 | 0 | 0 | 109.6 | V216 C241 M243 | C214-V216 WeakPolarHBondContact CB-O 3.48Å; C214-V216 PolarHBondContact O-N 3.06Å; C214-V216 VanDerWaalsContact O-N 3.07Å; C214-V216 PolarHBondContact SG-O 3.3Å; C214-C241 WeakPolarHBondContact CA-SG 3.29Å; C214-C241 HydrophobicContact CB-CB 3.78Å; C214-C241 WeakPolarHBondContact CB-SG 3.35Å; C214-C241 WeakPolarHBondContact SG-CB 3.28Å; C214-C241 CovalentContact SG-SG 2.02Å; C214-C241 PolarHBondContact SG-SG 2.93Å; C214-M243 HydrophobicContact CB-CE 3.71Å |
| 215 | S | 82.1 | Confident | 81.7 | Confident | 84 Ų | 84 | 69.8 Ų | 69.8 | 59% | 0.587 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -60.5 | -18.2 | 179 | 62.3 | 0 | 0 | 0 | 0 | 113.6 | A213 G221 N222 | A213-S215 PolarHBondContact O-N 3.19Å; S215-G221 WeakPolarHBondContact OG-CA 3.25Å; S215-N222 WeakPolarHBondContact CB-O 3.44Å; S215-N222 PolarHBondContact N-O 3.12Å; S215-N222 PolarHBondContact OG-N 2.9Å; S215-N222 PolarHBondContact OG-O 2.58Å |
| 216 | V | 79.6 | Confident | 82.8 | Confident | 48 Ų | 48 | 68.6 Ų | 68.6 | 29% | 0.291 | 40% | 0.402 | S | S | . | . | trans | -127.4 | 149.6 | 178.9 | -55.1 | 0 | 0 | 0 | 0 | 110.6 | C214 C218 M243 | C214-V216 WeakPolarHBondContact CB-O 3.48Å; C214-V216 PolarHBondContact O-N 3.06Å; C214-V216 VanDerWaalsContact O-N 3.07Å; C214-V216 PolarHBondContact SG-O 3.3Å; V216-C218 WeakPolarHBondContact CB-O 3.37Å; V216-C218 WeakPolarHBondContact CG2-O 3.4Å; V216-M243 HydrophobicContact CG2-CB 4.44Å | ||
| 217 | T | 81.7 | Confident | 83.6 | Confident | 130 Ų | 130 | 71.2 Ų | 71.2 | 80% | 0.798 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -91.1 | -5.7 | 174.5 | 51.9 | 0 | 0 | 0 | 0 | 112.9 | M243 | T217-M243 WeakPolarHBondContact O-CG 3.24Š|
| 218 | C | 80.4 | Confident | 83.4 | Confident | 33 Ų | 33 | 66.6 Ų | 66.6 | 22% | 0.223 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -157.3 | 147.5 | 174.6 | 59.2 | 0 | 0 | 0 | 0 | 110.3 | V216 P244 C246 | V216-C218 WeakPolarHBondContact CB-O 3.37Å; V216-C218 WeakPolarHBondContact CG2-O 3.4Å; C218-P244 CarbonylContact C-O 3.38Å; C218-P244 WeakPolarHBondContact CA-O 3.39Å; C218-P244 WeakPolarHBondContact CB-O 3.35Å; C218-C246 HydrophobicContact CB-CB 3.8Å; C218-C246 WeakPolarHBondContact CB-SG 3.48Å; C218-C246 PolarHBondContact O-SG 2.86Å; C218-C246 WeakPolarHBondContact SG-CA 3.48Å; C218-C246 WeakPolarHBondContact SG-CB 3.22Å; C218-C246 CovalentContact SG-SG 2.03Å; C218-C246 PolarHBondContact SG-SG 2.91Å |
| 219 | G | 79.1 | Confident | 83.1 | Confident | 14 Ų | 14 | 64.7 Ų | 64.7 | 14% | 0.144 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 78.5 | -164.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115 | M243 P244 | G219-M243 PolarHBondContact N-O 3.15Å; G219-M243 WeakPolarHBondContact O-CA 3.36Å; G219-M243 WeakPolarHBondContact O-CB 3.47Å; G219-M243 PolarHBondContact O-N 3.24Å; G219-P244 PolarHBondContact N-O 3.27Å |
| 220 | N | 81.3 | Confident | 82.5 | Confident | 132 Ų | 132 | 64 Ų | 64 | 71% | 0.706 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 124.6 | -179.3 | -54.3 | 82 | 0 | 0 | 0 | 110.7 | D242 | N220-D242 PolarHBondContact ND2-OD1 3.4Å |
| 221 | G | 80.9 | Confident | 80.7 | Confident | 2 Ų | 2 | 70.9 Ų | 70.9 | 2% | 0.021 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | -169.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S215 T240 C241 | S215-G221 WeakPolarHBondContact OG-CA 3.25Å; G221-T240 CarbonylContact O-C 3.46Å; G221-T240 WeakPolarHBondContact O-CA 3.32Å; G221-C241 PolarHBondContact N-O 3.03Å; G221-C241 PolarHBondContact O-N 2.9Å; G221-C241 PolarHBondContact O-SG 3.17Å; G221-C241 VanDerWaalsContact O-SG 3.33Å |
| 222 | N | 84.9 | Confident | 79.2 | Confident | 80 Ų | 80 | 73.5 Ų | 73.5 | 43% | 0.428 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 145.6 | -178.3 | -63 | 54.8 | 0 | 0 | 0 | 110.2 | S215 R239 C241 | S215-N222 WeakPolarHBondContact CB-O 3.44Å; S215-N222 PolarHBondContact N-O 3.12Å; S215-N222 PolarHBondContact OG-N 2.9Å; S215-N222 PolarHBondContact OG-O 2.58Å; N222-R239 WeakPolarHBondContact CA-O 3.46Å; N222-C241 PolarHBondContact N-SG 2.78Å; N222-C241 VanDerWaalsContact N-SG 3.36Å |
| 223 | Q | 81.3 | Confident | 77.7 | Confident | 31 Ų | 31 | 73.4 Ų | 73.4 | 15% | 0.145 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 144.3 | 173.2 | 24.4 | 171.9 | -25.2 | 0 | 0 | 108.3 | W211 S212 S238 R239 C241 | W211-Q223 HydrophobicContact CE3-CB 4.36Å; W211-Q223 WeakPolarHBondContact CZ3-O 3.23Å; S212-Q223 VanDerWaalsContact O-CB 3.23Å; S212-Q223 WeakPolarHBondContact O-CB 3.4Å; S212-Q223 WeakPolarHBondContact OG-CA 3.36Å; Q223-S238 WeakPolarHBondContact O-CA 3.13Å; Q223-R239 HydrophobicContact CG-CG 3.68Å; Q223-R239 PolarHBondContact N-O 2.79Å; Q223-R239 PolarHBondContact O-N 3.4Å; Q223-R239 VanDerWaalsContact OE1-CZ 3.27Å; Q223-C241 HydrophobicContact CG-CB 3.97Å |
| 224 | K | 87.3 | Confident | 77.2 | Confident | 127 Ų | 127 | 74 Ų | 74 | 55% | 0.552 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 148.3 | -174.1 | -63.5 | -179.7 | -177.7 | 176.8 | 0 | 110.4 | S212 T236 E237 | S212-K224 WeakPolarHBondContact CB-O 3.31Å; S212-K224 PolarHBondContact N-O 2.94Å; S212-K224 PolarHBondContact OG-N 3.34Å; S212-K224 PolarHBondContact OG-O 2.98Å; K224-T236 HydrophobicContact CB-CG2 4.46Å; K224-E237 CarbonylContact C-O 3.55Å; K224-E237 VanDerWaalsContact CA-O 3.24Å; K224-E237 WeakPolarHBondContact CA-O 3.41Å |
| 225 | R | 85.2 | Confident | 76.3 | Confident | 62 Ų | 62 | 74.2 Ų | 74.2 | 23% | 0.234 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 160.6 | 166.6 | 64.2 | 178.2 | -174.3 | 176.8 | -4.1 | 110 | W208 S209 W211 T236 E237 | W208-R225 HydrophobicContact CD2-CG 4.26Å; W208-R225 HydrophobicContact CE3-CB 4.39Å; W208-R225 HydrophobicContact CE3-CG 3.66Å; W208-R225 HydrophobicContact CZ3-CG 4.21Å; S209-R225 WeakPolarHBondContact O-CB 3.04Å; W211-R225 HydrophobicContact CD2-CB 4.12Å; W211-R225 HydrophobicContact CD2-CG 3.95Å; W211-R225 VanDerWaalsContact CE2-CD 3.42Å; W211-R225 HydrophobicContact CE3-CB 3.95Å; W211-R225 HydrophobicContact CE3-CG 3.81Å; W211-R225 HydrophobicContact CH2-CG 3.8Å; W211-R225 HydrophobicContact CZ2-CG 3.93Å; W211-R225 VanDerWaalsContact CZ2-NE 3.29Å; W211-R225 HydrophobicContact CZ3-CB 4.29Å; W211-R225 HydrophobicContact CZ3-CG 3.72Å; R225-T236 WeakPolarHBondContact O-CA 3.44Å; R225-E237 HydrophobicContact CG-CB 4.04Å; R225-E237 IonicContact CZ-OE2 3.86Å; R225-E237 PolarHBondContact N-O 2.91Å; R225-E237 IonicContact NE-OE2 2.64Å; R225-E237 PolarHBondContact NE-OE2 2.86Å; R225-E237 IonicContact NH2-OE1 3.11Å; R225-E237 IonicContact NH2-OE2 2.73Å; R225-E237 PolarHBondContact NH2-OE2 3.17Å; R225-E237 PolarHBondContact O-N 2.87Å |
| 226 | T | 82.5 | Confident | 76.4 | Confident | 60 Ų | 60 | 74.5 Ų | 74.5 | 37% | 0.368 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 147.6 | -173 | 52.5 | 0 | 0 | 0 | 0 | 110.5 | W208 S209 T234 A235 T236 | W208-T226 VanDerWaalsContact CE3-C 3.44Å; S209-T226 WeakPolarHBondContact CB-O 3.34Å; S209-T226 PolarHBondContact N-O 3.38Å; S209-T226 PolarHBondContact OG-N 3.45Å; S209-T226 PolarHBondContact OG-O 3.32Å; S209-T226 PolarHBondContact OG-OG1 3.49Å; T226-T234 HydrophobicContact CG2-CG2 4.21Å; T226-A235 CarbonylContact C-O 3.6Å; T226-A235 VanDerWaalsContact CA-O 3.26Å; T226-A235 WeakPolarHBondContact CA-O 3.48Å; T226-T236 HydrophobicContact CG2-CG2 4.19Å |
| 227 | R | 83.4 | Confident | 76.5 | Confident | 76 Ų | 76 | 75.7 Ų | 75.7 | 29% | 0.287 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 151.9 | 169.1 | 70.5 | 170 | -171.8 | -177.9 | 11.9 | 110.4 | E205 G206 W208 T234 A235 | E205-R227 IonicContact OE1-CZ 3.08Å; E205-R227 VanDerWaalsContact OE1-CZ 3.26Å; E205-R227 IonicContact OE1-NE 3.74Å; E205-R227 PolarHBondContact OE1-NE 3.03Å; E205-R227 IonicContact OE1-NH2 2.65Å; E205-R227 PolarHBondContact OE1-NH2 3.08Å; G206-R227 WeakPolarHBondContact O-CB 3.45Å; W208-R227 HydrophobicContact CD2-CB 3.8Å; W208-R227 HydrophobicContact CD2-CG 3.83Å; W208-R227 VanDerWaalsContact CE2-CD 3.47Å; W208-R227 HydrophobicContact CE3-CB 3.69Å; W208-R227 HydrophobicContact CE3-CG 3.8Å; W208-R227 HydrophobicContact CG-CB 4.2Å; W208-R227 HydrophobicContact CH2-CG 3.84Å; W208-R227 HydrophobicContact CZ2-CG 3.87Å; W208-R227 HydrophobicContact CZ3-CB 4.13Å; W208-R227 HydrophobicContact CZ3-CG 3.81Å; R227-T234 CarbonylContact O-C 3.54Å; R227-T234 VanDerWaalsContact O-CA 3.27Å; R227-T234 WeakPolarHBondContact O-CA 3.48Å; R227-A235 HydrophobicContact CG-CB 3.83Å; R227-A235 PolarHBondContact N-O 3.16Å; R227-A235 PolarHBondContact O-N 3.43Å |
| 228 | S | 77.8 | Confident | 76.7 | Confident | 63 Ų | 63 | 73.1 Ų | 73.1 | 44% | 0.441 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 133.7 | 168.8 | 47.6 | 0 | 0 | 0 | 0 | 110 | E205 G206 C233 | E205-S228 CarbonylContact C-O 3.46Å; G206-S228 WeakPolarHBondContact CA-OG 3.5Å; G206-S228 PolarHBondContact N-O 3.13Å; S228-C233 WeakPolarHBondContact CA-O 3.24Å |
| 229 | C | 76.5 | Confident | 76.5 | Confident | 39 Ų | 39 | 76.9 Ų | 76.9 | 26% | 0.264 | 42% | 0.424 | S | S | . | . | B | Isolated β-bridge | trans | -110.9 | 30.7 | 176.6 | 50.6 | 0 | 0 | 0 | 0 | 113 | G204 E205 C233 | G204-C229 CarbonylContact O-C 3.37Å; E205-C229 WeakPolarHBondContact OE1-CB 3.32Å; C229-C233 WeakPolarHBondContact CA-SG 3.48Å; C229-C233 WeakPolarHBondContact CB-SG 3.29Å; C229-C233 PolarHBondContact N-O 2.97Å; C229-C233 PolarHBondContact O-SG 2.94Å; C229-C233 WeakPolarHBondContact SG-CB 3.18Å; C229-C233 PolarHBondContact SG-O 3.45Å; C229-C233 VanDerWaalsContact SG-O 3.39Å; C229-C233 CovalentContact SG-SG 2.02Å; C229-C233 PolarHBondContact SG-SG 2.78Å |
| 230 | G | 71.9 | Confident | 76.7 | Confident | 32 Ų | 32 | 81 Ų | 81 | 33% | 0.33 | 45% | 0.446 | S | S | . | . | S | Bend | trans | 104.6 | -151.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | G204 A232 | G204-G230 WeakPolarHBondContact O-CA 2.98Å; G204-G230 PolarHBondContact O-N 2.88Å; G230-A232 PolarHBondContact O-N 3.03Å |
| 231 | Y | 52.2 | Low | 76.7 | Confident | 250 Ų | 250 | 75.2 Ų | 75.2 | 98% | 0.98 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 91.5 | -174.3 | -70.3 | -86 | 0 | 0 | 0 | 111.7 | ||
| 232 | A | 57.5 | Low | 76.8 | Confident | 111 Ų | 111 | 81 Ų | 81 | 92% | 0.917 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | 34.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | G230 | G230-A232 PolarHBondContact O-N 3.03Š|
| 233 | C | 52.1 | Low | 76.6 | Confident | 54 Ų | 54 | 80.4 Ų | 80.4 | 37% | 0.365 | 44% | 0.442 | S | S | . | . | trans | -128.8 | 143.7 | 168.7 | 72.1 | 0 | 0 | 0 | 0 | 113.4 | S228 C229 | S228-C233 WeakPolarHBondContact CA-O 3.24Å; C229-C233 WeakPolarHBondContact CA-SG 3.48Å; C229-C233 WeakPolarHBondContact CB-SG 3.29Å; C229-C233 PolarHBondContact N-O 2.97Å; C229-C233 PolarHBondContact O-SG 2.94Å; C229-C233 WeakPolarHBondContact SG-CB 3.18Å; C229-C233 PolarHBondContact SG-O 3.45Å; C229-C233 VanDerWaalsContact SG-O 3.39Å; C229-C233 CovalentContact SG-SG 2.02Å; C229-C233 PolarHBondContact SG-SG 2.78Å | ||
| 234 | T | 75.7 | Confident | 76.6 | Confident | 100 Ų | 100 | 83.4 Ų | 83.4 | 61% | 0.613 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 112.5 | 176.6 | -55.4 | 0 | 0 | 0 | 0 | 109 | T226 R227 | T226-T234 HydrophobicContact CG2-CG2 4.21Å; R227-T234 CarbonylContact O-C 3.54Å; R227-T234 VanDerWaalsContact O-CA 3.27Å; R227-T234 WeakPolarHBondContact O-CA 3.48Å |
| 235 | A | 69.5 | Low | 76 | Confident | 31 Ų | 31 | 83 Ų | 83 | 26% | 0.256 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 138.1 | 172 | 0 | 0 | 0 | 0 | 0 | 109.6 | W208 T226 R227 | W208-A235 HydrophobicContact CH2-CB 3.97Å; W208-A235 VanDerWaalsContact CZ3-O 3.29Å; W208-A235 WeakPolarHBondContact CZ3-O 3.44Å; T226-A235 CarbonylContact C-O 3.6Å; T226-A235 VanDerWaalsContact CA-O 3.26Å; T226-A235 WeakPolarHBondContact CA-O 3.48Å; R227-A235 HydrophobicContact CG-CB 3.83Å; R227-A235 PolarHBondContact N-O 3.16Å; R227-A235 PolarHBondContact O-N 3.43Å |
| 236 | T | 84.1 | Confident | 75.3 | Confident | 89 Ų | 89 | 82.3 Ų | 82.3 | 55% | 0.546 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 131.4 | 179.3 | -56.8 | 0 | 0 | 0 | 0 | 109.9 | K224 R225 T226 | K224-T236 HydrophobicContact CB-CG2 4.46Å; R225-T236 WeakPolarHBondContact O-CA 3.44Å; T226-T236 HydrophobicContact CG2-CG2 4.19Å |
| 237 | E | 82.3 | Confident | 74.8 | Confident | 73 Ų | 73 | 85.8 Ų | 85.8 | 34% | 0.341 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 140.5 | 175.4 | -166.8 | -176.2 | 179.3 | 0 | 0 | 109.6 | W208 W211 K224 R225 | W208-E237 HydrophobicContact CE3-CB 4.42Å; W208-E237 HydrophobicContact CH2-CB 3.66Å; W208-E237 HydrophobicContact CZ2-CB 4.24Å; W208-E237 HydrophobicContact CZ3-CB 3.75Å; W211-E237 HydrophobicContact CH2-CB 4.17Å; W211-E237 HydrophobicContact CH2-CG 3.85Å; W211-E237 WeakPolarHBondContact CZ3-O 3.37Å; K224-E237 CarbonylContact C-O 3.55Å; K224-E237 VanDerWaalsContact CA-O 3.24Å; K224-E237 WeakPolarHBondContact CA-O 3.41Å; R225-E237 HydrophobicContact CG-CB 4.04Å; R225-E237 IonicContact CZ-OE2 3.86Å; R225-E237 PolarHBondContact N-O 2.91Å; R225-E237 IonicContact NE-OE2 2.64Å; R225-E237 PolarHBondContact NE-OE2 2.86Å; R225-E237 IonicContact NH2-OE1 3.11Å; R225-E237 IonicContact NH2-OE2 2.73Å; R225-E237 PolarHBondContact NH2-OE2 3.17Å; R225-E237 PolarHBondContact O-N 2.87Å |
| 238 | S | 84.9 | Confident | 73.8 | Confident | 77 Ų | 77 | 84.6 Ų | 84.6 | 54% | 0.538 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 134.1 | 177.1 | 64.5 | 0 | 0 | 0 | 0 | 111.1 | Q223 | Q223-S238 WeakPolarHBondContact O-CA 3.13Å |
| 239 | R | 76.4 | Confident | 72.4 | Confident | 112 Ų | 112 | 86.1 Ų | 86.1 | 42% | 0.423 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 155.6 | 171.7 | 74.6 | -179.4 | 175.6 | 171.2 | 4.1 | 111 | W211 N222 Q223 | W211-R239 HydrophobicContact CD2-CG 4.09Å; W211-R239 VanDerWaalsContact CE2-CD 3.47Å; W211-R239 HydrophobicContact CE3-CG 3.76Å; W211-R239 VanDerWaalsContact CG-CZ 3.43Å; W211-R239 VanDerWaalsContact CG-NH2 3.33Å; W211-R239 HydrophobicContact CH2-CB 3.73Å; W211-R239 HydrophobicContact CH2-CG 3.69Å; W211-R239 HydrophobicContact CZ2-CB 4.29Å; W211-R239 HydrophobicContact CZ2-CG 4.02Å; W211-R239 HydrophobicContact CZ3-CB 3.92Å; W211-R239 HydrophobicContact CZ3-CG 3.56Å; N222-R239 WeakPolarHBondContact CA-O 3.46Å; Q223-R239 HydrophobicContact CG-CG 3.68Å; Q223-R239 PolarHBondContact N-O 2.79Å; Q223-R239 PolarHBondContact O-N 3.4Å; Q223-R239 VanDerWaalsContact OE1-CZ 3.27Å |
| 240 | T | 82.3 | Confident | 71.3 | Confident | 99 Ų | 99 | 89.3 Ų | 89.3 | 61% | 0.607 | 52% | 0.517 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 149.3 | 172.2 | 49.6 | 0 | 0 | 0 | 0 | 111.2 | G221 | G221-T240 CarbonylContact O-C 3.46Å; G221-T240 WeakPolarHBondContact O-CA 3.32Å |
| 241 | C | 82.3 | Confident | 70.5 | Confident | 11 Ų | 11 | 93 Ų | 93 | 7% | 0.074 | 53% | 0.529 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 132.7 | 166.7 | 33.5 | 0 | 0 | 0 | 0 | 108.5 | C214 G221 N222 Q223 | C214-C241 WeakPolarHBondContact CA-SG 3.29Å; C214-C241 HydrophobicContact CB-CB 3.78Å; C214-C241 WeakPolarHBondContact CB-SG 3.35Å; C214-C241 WeakPolarHBondContact SG-CB 3.28Å; C214-C241 CovalentContact SG-SG 2.02Å; C214-C241 PolarHBondContact SG-SG 2.93Å; G221-C241 PolarHBondContact N-O 3.03Å; G221-C241 PolarHBondContact O-N 2.9Å; G221-C241 PolarHBondContact O-SG 3.17Å; G221-C241 VanDerWaalsContact O-SG 3.33Å; N222-C241 PolarHBondContact N-SG 2.78Å; N222-C241 VanDerWaalsContact N-SG 3.36Å; Q223-C241 HydrophobicContact CG-CB 3.97Å |
| 242 | D | 82.8 | Confident | 70.6 | Confident | 123 Ų | 123 | 84.1 Ų | 84.1 | 66% | 0.658 | 51% | 0.508 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 110.5 | 174.1 | -57.8 | -45.3 | 0 | 0 | 0 | 108.6 | N220 | N220-D242 PolarHBondContact ND2-OD1 3.4Å |
| 243 | M | 81.4 | Confident | 70.1 | Confident | 68 Ų | 68 | 85.2 Ų | 85.2 | 34% | 0.335 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 155.4 | -179.7 | -160.1 | 56.8 | 77.9 | 0 | 0 | 109.2 | C214 V216 T217 G219 | C214-M243 HydrophobicContact CB-CE 3.71Å; V216-M243 HydrophobicContact CG2-CB 4.44Å; T217-M243 WeakPolarHBondContact O-CG 3.24Å; G219-M243 PolarHBondContact N-O 3.15Å; G219-M243 WeakPolarHBondContact O-CA 3.36Å; G219-M243 WeakPolarHBondContact O-CB 3.47Å; G219-M243 PolarHBondContact O-N 3.24Å |
| 244 | P | 80.3 | Confident | 70.1 | Confident | 94 Ų | 94 | 88.5 Ų | 88.5 | 61% | 0.61 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -52 | 145 | 180 | -28.3 | 35.6 | 0 | 0 | 0 | 112.2 | C218 G219 C246 | C218-P244 CarbonylContact C-O 3.38Å; C218-P244 WeakPolarHBondContact CA-O 3.39Å; C218-P244 WeakPolarHBondContact CB-O 3.35Å; G219-P244 PolarHBondContact N-O 3.27Å; P244-C246 PolarHBondContact O-N 2.84Å |
| 245 | N | 74.1 | Confident | 69.1 | Low | 120 Ų | 120 | 87.6 Ų | 87.6 | 64% | 0.642 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -55.7 | 136.9 | -177.7 | -67.6 | 10.9 | 0 | 0 | 0 | 111.3 | F249 | N245-F249 HydrophobicContact CB-CE1 3.81Å; N245-F249 HydrophobicContact CB-CZ 4.19Å |
| 246 | C | 72.1 | Confident | 68.1 | Low | 46 Ų | 46 | 88.9 Ų | 88.9 | 31% | 0.311 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 131.7 | 179.7 | -62.1 | 0 | 0 | 0 | 0 | 110.7 | C218 P244 G248 F249 | C218-C246 HydrophobicContact CB-CB 3.8Å; C218-C246 WeakPolarHBondContact CB-SG 3.48Å; C218-C246 PolarHBondContact O-SG 2.86Å; C218-C246 WeakPolarHBondContact SG-CA 3.48Å; C218-C246 WeakPolarHBondContact SG-CB 3.22Å; C218-C246 CovalentContact SG-SG 2.03Å; C218-C246 PolarHBondContact SG-SG 2.91Å; P244-C246 PolarHBondContact O-N 2.84Å; C246-G248 PolarHBondContact O-N 3.04Å; C246-F249 WeakPolarHBondContact O-CD1 3.43Å; C246-F249 VanDerWaalsContact O-CE1 3.22Å; C246-F249 WeakPolarHBondContact O-CE1 3.41Å |
| 247 | P | 72.4 | Confident | 66.4 | Low | 133 Ų | 133 | 87.4 Ų | 87.4 | 86% | 0.864 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | 116.9 | 171.2 | 25 | -29.6 | 0 | 0 | 0 | 109.6 | ||
| 248 | G | 61.1 | Low | 65 | Low | 51 Ų | 51 | 87.9 Ų | 87.9 | 53% | 0.526 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 132.6 | -7.5 | 172 | 0 | 0 | 0 | 0 | 0 | 117.8 | C246 | C246-G248 PolarHBondContact O-N 3.04Š|
| 249 | F | 47.8 | Very low | 63.3 | Low | 95 Ų | 95 | 90.6 Ų | 90.6 | 42% | 0.417 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -82 | -19.2 | 179.3 | 70.8 | -82.1 | 0 | 0 | 0 | 113.8 | N245 C246 | N245-F249 HydrophobicContact CB-CE1 3.81Å; N245-F249 HydrophobicContact CB-CZ 4.19Å; C246-F249 WeakPolarHBondContact O-CD1 3.43Å; C246-F249 VanDerWaalsContact O-CE1 3.22Å; C246-F249 WeakPolarHBondContact O-CE1 3.41Å |
| 250 | E | 54.8 | Low | 62.1 | Low | 107 Ų | 107 | 89.8 Ų | 89.8 | 50% | 0.5 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -76.3 | -28.9 | -178.3 | -62.3 | -164.5 | -177.3 | 0 | 0 | 113 | K254 | E250-K254 WeakPolarHBondContact O-CD 3.4Å; E250-K254 VanDerWaalsContact O-CG 3.31Å; E250-K254 WeakPolarHBondContact O-CG 3.5Å; E250-K254 PolarHBondContact O-N 3.02Å; E250-K254 IonicContact OE2-NZ 3.88Å |
| 251 | D | 55.1 | Low | 60.2 | Low | 108 Ų | 108 | 89.3 Ų | 89.3 | 58% | 0.578 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -87.8 | -27.1 | -174.9 | -64.4 | -30.7 | 0 | 0 | 0 | 112.5 | T255 | D251-T255 VanDerWaalsContact O-CB 3.25Å; D251-T255 WeakPolarHBondContact O-CB 3.5Å; D251-T255 PolarHBondContact O-N 3.11Å; D251-T255 PolarHBondContact O-OG1 3.04Å |
| 252 | A | 54 | Low | 58.6 | Low | 65 Ų | 65 | 95.6 Ų | 95.6 | 54% | 0.537 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -70.7 | -39.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A256 | A252-A256 WeakPolarHBondContact O-CB 3.48Å; A252-A256 PolarHBondContact O-N 3.34Å |
| 253 | F | 47.6 | Very low | 57.1 | Low | 134 Ų | 134 | 97.4 Ų | 97.4 | 59% | 0.588 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -69.4 | -39.7 | 177.4 | -101.9 | -93.5 | 0 | 0 | 0 | 112.7 | A257 F275 | F253-A257 WeakPolarHBondContact O-CB 3.36Å; F253-A257 PolarHBondContact O-N 2.84Å; F253-A257 VanDerWaalsContact O-N 3.16Å; F253-F275 HydrophobicContact CD1-CZ 4.45Å; F253-F275 AromaticContact CE1-CE1 3.92Å; F253-F275 HydrophobicContact CE1-CE1 3.92Å; F253-F275 AromaticContact CE1-CZ 3.76Å; F253-F275 HydrophobicContact CE1-CZ 3.76Å |
| 254 | K | 52.2 | Low | 55.5 | Low | 122 Ų | 122 | 96.9 Ų | 96.9 | 53% | 0.53 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -70.4 | -39.7 | 177.1 | -71.4 | 172 | -172.8 | 163 | 0 | 111.7 | E250 T258 | E250-K254 WeakPolarHBondContact O-CD 3.4Å; E250-K254 VanDerWaalsContact O-CG 3.31Å; E250-K254 WeakPolarHBondContact O-CG 3.5Å; E250-K254 PolarHBondContact O-N 3.02Å; E250-K254 IonicContact OE2-NZ 3.88Å; K254-T258 WeakPolarHBondContact O-CB 3.32Å; K254-T258 PolarHBondContact O-N 3.13Å; K254-T258 PolarHBondContact O-OG1 3.25Å |
| 255 | T | 53.8 | Low | 53.8 | Low | 82 Ų | 82 | 95.9 Ų | 95.9 | 50% | 0.503 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.8 | -42.3 | 179.6 | -53.7 | 0 | 0 | 0 | 0 | 111.6 | D251 T258 E259 | D251-T255 VanDerWaalsContact O-CB 3.25Å; D251-T255 WeakPolarHBondContact O-CB 3.5Å; D251-T255 PolarHBondContact O-N 3.11Å; D251-T255 PolarHBondContact O-OG1 3.04Å; T255-T258 PolarHBondContact O-N 3.5Å; T255-E259 PolarHBondContact O-N 2.85Å |
| 256 | A | 49 | Very low | 52.2 | Low | 57 Ų | 57 | 99 Ų | 99 | 47% | 0.471 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.2 | -39.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | A252 T258 V260 | A252-A256 WeakPolarHBondContact O-CB 3.48Å; A252-A256 PolarHBondContact O-N 3.34Å; A256-T258 VanDerWaalsContact C-N 3.31Å; A256-T258 PolarHBondContact O-N 3.23Å; A256-V260 WeakPolarHBondContact O-CG2 3.23Å; A256-V260 PolarHBondContact O-N 3.3Å |
| 257 | A | 47.4 | Very low | 51.1 | Low | 59 Ų | 59 | 105.2 Ų | 105.2 | 49% | 0.488 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -68.1 | -31.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F253 S261 | F253-A257 WeakPolarHBondContact O-CB 3.36Å; F253-A257 PolarHBondContact O-N 2.84Å; F253-A257 VanDerWaalsContact O-N 3.16Å; A257-S261 PolarHBondContact O-N 3.45Å; A257-S261 PolarHBondContact O-OG 2.9Å |
| 258 | T | 52.8 | Low | 50.1 | Low | 83 Ų | 83 | 107.7 Ų | 107.7 | 51% | 0.509 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -80.3 | -37.4 | -178.8 | -47.8 | 0 | 0 | 0 | 0 | 111.9 | K254 T255 A256 S261 L262 | K254-T258 WeakPolarHBondContact O-CB 3.32Å; K254-T258 PolarHBondContact O-N 3.13Å; K254-T258 PolarHBondContact O-OG1 3.25Å; T255-T258 PolarHBondContact O-N 3.5Å; A256-T258 VanDerWaalsContact C-N 3.31Å; A256-T258 PolarHBondContact O-N 3.23Å; T258-S261 PolarHBondContact O-N 3.27Å; T258-L262 PolarHBondContact O-N 3.37Å |
| 259 | E | 49.8 | Very low | 49.3 | Very low | 134 Ų | 134 | 113.6 Ų | 113.6 | 63% | 0.626 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -69.1 | -34.6 | 176 | -77.7 | -162.8 | 150.8 | 0 | 0 | 113.2 | T255 S261 L262 L263 | T255-E259 PolarHBondContact O-N 2.85Å; E259-S261 VanDerWaalsContact C-N 3.35Å; E259-L262 PolarHBondContact O-N 3.1Å; E259-L263 PolarHBondContact O-N 3.5Å |
| 260 | V | 51 | Low | 49.1 | Very low | 95 Ų | 95 | 115.4 Ų | 115.4 | 58% | 0.576 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -70.3 | -32.8 | 175 | 175.9 | 0 | 0 | 0 | 0 | 111.6 | A256 L262 L263 A264 | A256-V260 WeakPolarHBondContact O-CG2 3.23Å; A256-V260 PolarHBondContact O-N 3.3Å; V260-L262 VanDerWaalsContact C-N 3.34Å; V260-L262 PolarHBondContact O-N 3.4Å; V260-L263 PolarHBondContact O-N 3.28Å; V260-A264 PolarHBondContact O-N 3.44Å |
| 261 | S | 42.8 | Very low | 48.7 | Very low | 88 Ų | 88 | 113.9 Ų | 113.9 | 62% | 0.615 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -70.8 | -26.5 | 177.2 | -61.3 | 0 | 0 | 0 | 0 | 113.5 | A257 T258 E259 | A257-S261 PolarHBondContact O-N 3.45Å; A257-S261 PolarHBondContact O-OG 2.9Å; T258-S261 PolarHBondContact O-N 3.27Å; E259-S261 VanDerWaalsContact C-N 3.35Å |
| 262 | L | 48.5 | Very low | 48.4 | Very low | 144 Ų | 144 | 113 Ų | 113 | 75% | 0.754 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -82.3 | -22.7 | 178.5 | -85.8 | 157 | 0 | 0 | 0 | 113.4 | T258 E259 V260 | T258-L262 PolarHBondContact O-N 3.37Å; E259-L262 PolarHBondContact O-N 3.1Å; V260-L262 VanDerWaalsContact C-N 3.34Å; V260-L262 PolarHBondContact O-N 3.4Å |
| 263 | L | 51.7 | Low | 48.2 | Very low | 160 Ų | 160 | 117.3 Ų | 117.3 | 84% | 0.838 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -86.7 | -29.5 | 178.4 | -69.1 | 172.3 | 0 | 0 | 0 | 113.1 | E259 V260 G265 | E259-L263 PolarHBondContact O-N 3.5Å; V260-L263 PolarHBondContact O-N 3.28Å; L263-G265 PolarHBondContact O-N 3.42Å |
| 264 | A | 47 | Very low | 48.2 | Very low | 58 Ų | 58 | 117.4 Ų | 117.4 | 48% | 0.479 | 66% | 0.659 | S | S | . | * | trans | -97.7 | 72.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | V260 K266 | V260-A264 PolarHBondContact O-N 3.44Å; A264-K266 PolarHBondContact O-N 3.29Å | ||
| 265 | G | 44.7 | Very low | 47.7 | Very low | 72 Ų | 72 | 118 Ų | 118 | 74% | 0.742 | 66% | 0.662 | S | S | * | * | trans | -64.6 | 81 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L263 | L263-G265 PolarHBondContact O-N 3.42Š| ||
| 266 | K | 39.9 | Very low | 47.3 | Very low | 187 Ų | 187 | 115.9 Ų | 115.9 | 81% | 0.813 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -178.7 | 129.3 | 157 | -101.4 | 160.4 | -174.2 | -176.3 | 0 | 110.5 | A264 E268 | A264-K266 PolarHBondContact O-N 3.29Å; K266-E268 VanDerWaalsContact C-N 3.25Å; K266-E268 PolarHBondContact O-N 3.43Å |
| 267 | N | 50.2 | Low | 47.4 | Very low | 176 Ų | 176 | 118.7 Ų | 118.7 | 94% | 0.941 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -71.8 | 61.1 | -177 | -66.8 | -22.8 | 0 | 0 | 0 | 113.6 | ||
| 268 | E | 51.5 | Low | 47.5 | Very low | 185 Ų | 185 | 123 Ų | 123 | 86% | 0.864 | 68% | 0.681 | S | S | * | * | trans | -155.7 | 42.4 | 175.7 | -124.5 | 172.9 | -148.3 | 0 | 0 | 113.5 | K266 | K266-E268 VanDerWaalsContact C-N 3.25Å; K266-E268 PolarHBondContact O-N 3.43Å | ||
| 269 | F | 43.6 | Very low | 47.7 | Very low | 174 Ų | 174 | 122.9 Ų | 122.9 | 76% | 0.763 | 68% | 0.681 | S | S | * | * | trans | -127.2 | 101.9 | 172.6 | -131.8 | -96.3 | 0 | 0 | 0 | 109.9 | A271 | F269-A271 PolarHBondContact O-N 3.43Š| ||
| 270 | N | 43.4 | Very low | 48.9 | Very low | 133 Ų | 133 | 118.9 Ų | 118.9 | 71% | 0.711 | 66% | 0.664 | S | S | * | * | trans | -73.8 | 114.3 | 179 | -92.8 | -29.3 | 0 | 0 | 0 | 109.8 | T272 E273 | N270-T272 PolarHBondContact O-N 2.87Å; N270-E273 PolarHBondContact O-N 2.98Å | ||
| 271 | A | 45.8 | Very low | 50.3 | Low | 75 Ų | 75 | 117.4 Ų | 117.4 | 62% | 0.62 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -0 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | F269 E273 | F269-A271 PolarHBondContact O-N 3.43Å; A271-E273 VanDerWaalsContact C-N 3.28Å |
| 272 | T | 49.4 | Very low | 52.2 | Low | 89 Ų | 89 | 113.2 Ų | 113.2 | 55% | 0.546 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.7 | -25.2 | 172.5 | -4.4 | 0 | 0 | 0 | 0 | 112.8 | N270 L274 | N270-T272 PolarHBondContact O-N 2.87Å; T272-L274 VanDerWaalsContact C-N 3.3Å; T272-L274 PolarHBondContact O-N 3.08Å |
| 273 | E | 50.8 | Low | 54 | Low | 157 Ų | 157 | 111 Ų | 111 | 73% | 0.734 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -76.5 | -18.8 | -178.8 | -146.3 | 173.2 | -163.3 | 0 | 0 | 112.6 | N270 A271 | N270-E273 PolarHBondContact O-N 2.98Å; A271-E273 VanDerWaalsContact C-N 3.28Å |
| 274 | L | 46.3 | Very low | 55.5 | Low | 136 Ų | 136 | 110.9 Ų | 110.9 | 71% | 0.712 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -83.9 | -17.7 | -177.3 | -159.9 | 68.4 | 0 | 0 | 0 | 113.4 | T272 | T272-L274 VanDerWaalsContact C-N 3.3Å; T272-L274 PolarHBondContact O-N 3.08Å |
| 275 | F | 42.6 | Very low | 57.4 | Low | 135 Ų | 135 | 110.6 Ų | 110.6 | 59% | 0.592 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -117.4 | 16.9 | 178.5 | -65.9 | -70.4 | 0 | 0 | 0 | 114.5 | F253 V277 | F253-F275 HydrophobicContact CD1-CZ 4.45Å; F253-F275 AromaticContact CE1-CE1 3.92Å; F253-F275 HydrophobicContact CE1-CE1 3.92Å; F253-F275 AromaticContact CE1-CZ 3.76Å; F253-F275 HydrophobicContact CE1-CZ 3.76Å; F275-V277 HydrophobicContact CB-CG2 4.48Å; F275-V277 WeakPolarHBondContact O-CG2 3.15Å; F275-V277 PolarHBondContact O-N 2.8Å |
| 276 | G | 45.5 | Very low | 59.3 | Low | 36 Ų | 36 | 109.6 Ų | 109.6 | 37% | 0.371 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 47.8 | 35.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | D278 T279 | G276-D278 PolarHBondContact O-N 3.32Å; G276-T279 PolarHBondContact O-N 2.76Å; G276-T279 PolarHBondContact O-OG1 3.45Å |
| 277 | V | 51 | Low | 61.2 | Low | 116 Ų | 116 | 105.2 Ų | 105.2 | 70% | 0.703 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -14.2 | -177.2 | -177.5 | 0 | 0 | 0 | 0 | 111.6 | F275 | F275-V277 HydrophobicContact CB-CG2 4.48Å; F275-V277 WeakPolarHBondContact O-CG2 3.15Å; F275-V277 PolarHBondContact O-N 2.8Å |
| 278 | D | 48.9 | Very low | 62.6 | Low | 149 Ų | 149 | 100.3 Ų | 100.3 | 80% | 0.797 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.9 | 4.2 | -178.9 | -64.1 | -44.1 | 0 | 0 | 0 | 114.8 | G276 D280 | G276-D278 PolarHBondContact O-N 3.32Å; D278-D280 PolarHBondContact O-N 2.83Å |
| 279 | T | 57.7 | Low | 63.7 | Low | 82 Ų | 82 | 100.6 Ų | 100.6 | 50% | 0.503 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -82.9 | 116.8 | 173.8 | 48.1 | 0 | 0 | 0 | 0 | 110.5 | G276 S281 | G276-T279 PolarHBondContact O-N 2.76Å; G276-T279 PolarHBondContact O-OG1 3.45Å; T279-S281 PolarHBondContact O-N 3.26Å |
| 280 | D | 74.8 | Confident | 65.6 | Low | 49 Ų | 49 | 93.9 Ų | 93.9 | 26% | 0.262 | 50% | 0.503 | S | S | . | . | trans | -56.6 | 126.2 | 176 | 174.1 | 26.7 | 0 | 0 | 0 | 110.7 | D278 C282 E283 R284 R417 | D278-D280 PolarHBondContact O-N 2.83Å; D280-C282 PolarHBondContact O-N 2.89Å; D280-C282 VanDerWaalsContact O-N 3.16Å; D280-C282 PolarHBondContact OD1-N 2.87Å; D280-C282 WeakPolarHBondContact OD2-CB 3.35Å; D280-E283 HydrophobicContact CB-CB 4.16Å; D280-E283 WeakPolarHBondContact O-CB 3.48Å; D280-E283 PolarHBondContact O-N 3.17Å; D280-R284 PolarHBondContact O-N 3.44Å; D280-R417 IonicContact OD2-CZ 3.84Å; D280-R417 IonicContact OD2-NH1 2.66Å; D280-R417 PolarHBondContact OD2-NH1 3.08Å; D280-R417 IonicContact OD2-NH2 2.82Å; D280-R417 PolarHBondContact OD2-NH2 3.02Å | ||
| 281 | S | 80.9 | Confident | 67.3 | Low | 64 Ų | 64 | 94 Ų | 94 | 45% | 0.448 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.4 | -30.3 | -176.7 | -66.1 | 0 | 0 | 0 | 0 | 112 | T279 W285 I410 | T279-S281 PolarHBondContact O-N 3.26Å; S281-W285 PolarHBondContact O-N 3.34Å; S281-W285 VanDerWaalsContact O-N 3.08Å; S281-I410 WeakPolarHBondContact O-CG2 3.31Å |
| 282 | C | 83.1 | Confident | 69.1 | Low | 0 Ų | 0 | 94.6 Ų | 94.6 | 0% | 0 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -68.7 | -41.8 | 174.1 | 177.6 | 0 | 0 | 0 | 0 | 112 | D280 R284 W285 M286 I410 C411 | D280-C282 PolarHBondContact O-N 2.89Å; D280-C282 VanDerWaalsContact O-N 3.16Å; D280-C282 PolarHBondContact OD1-N 2.87Å; D280-C282 WeakPolarHBondContact OD2-CB 3.35Å; C282-R284 VanDerWaalsContact C-N 3.31Å; C282-R284 PolarHBondContact O-N 2.84Å; C282-W285 PolarHBondContact O-N 2.83Å; C282-M286 VanDerWaalsContact O-CG 3.29Å; C282-M286 WeakPolarHBondContact O-CG 3.35Å; C282-M286 PolarHBondContact O-N 3.36Å; C282-I410 HydrophobicContact CB-CG2 4.2Å; C282-C411 HydrophobicContact CB-CB 3.85Å; C282-C411 WeakPolarHBondContact CB-SG 3.4Å; C282-C411 VanDerWaalsContact SG-CA 3.51Å; C282-C411 WeakPolarHBondContact SG-CB 3.2Å; C282-C411 CovalentContact SG-SG 2.04Å; C282-C411 PolarHBondContact SG-SG 3.19Å |
| 283 | E | 84.5 | Confident | 70.6 | Confident | 99 Ų | 99 | 92.8 Ų | 92.8 | 46% | 0.463 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 176.9 | -172.7 | 170.4 | -167 | 0 | 0 | 111.1 | D280 W285 M286 N287 R417 | D280-E283 HydrophobicContact CB-CB 4.16Å; D280-E283 WeakPolarHBondContact O-CB 3.48Å; D280-E283 PolarHBondContact O-N 3.17Å; E283-W285 VanDerWaalsContact C-N 3.31Å; E283-W285 PolarHBondContact O-N 3.42Å; E283-M286 PolarHBondContact O-N 3.39Å; E283-N287 VanDerWaalsContact CG-ND2 3.32Å; E283-N287 WeakPolarHBondContact CG-ND2 3.36Å; E283-N287 VanDerWaalsContact O-CB 3.28Å; E283-N287 WeakPolarHBondContact O-CB 3.5Å; E283-N287 PolarHBondContact O-N 3.06Å; E283-N287 PolarHBondContact O-ND2 3.42Å; E283-N287 VanDerWaalsContact O-ND2 3.13Å; E283-R417 VanDerWaalsContact N-NH2 3.1Å |
| 284 | R | 84.7 | Confident | 72 | Confident | 157 Ų | 157 | 91.7 Ų | 91.7 | 59% | 0.592 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.2 | -39.9 | 174.1 | -170.4 | 176.1 | -177.3 | 161.4 | 4.1 | 112.2 | D280 C282 C288 | D280-R284 PolarHBondContact O-N 3.44Å; C282-R284 VanDerWaalsContact C-N 3.31Å; C282-R284 PolarHBondContact O-N 2.84Å; R284-C288 PolarHBondContact O-N 3.46Å |
| 285 | W | 85.4 | Confident | 73.8 | Confident | 52 Ų | 52 | 90 Ų | 90 | 20% | 0.197 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -67.4 | -47.7 | 175.4 | 167.5 | 76.8 | 0 | 0 | 0 | 112.2 | S281 C282 E283 N287 C288 P407 Y418 A421 R422 | S281-W285 PolarHBondContact O-N 3.34Å; S281-W285 VanDerWaalsContact O-N 3.08Å; C282-W285 PolarHBondContact O-N 2.83Å; E283-W285 VanDerWaalsContact C-N 3.31Å; E283-W285 PolarHBondContact O-N 3.42Å; W285-N287 PolarHBondContact O-N 2.85Å; W285-C288 WeakPolarHBondContact O-CB 3.22Å; W285-C288 PolarHBondContact O-N 2.86Å; W285-C288 VanDerWaalsContact O-N 3.1Å; W285-P407 HydrophobicContact CD2-CB 3.69Å; W285-P407 HydrophobicContact CE3-CB 4.2Å; W285-P407 HydrophobicContact CG-CB 4.17Å; W285-P407 HydrophobicContact CH2-CB 3.95Å; W285-P407 HydrophobicContact CZ2-CB 3.43Å; W285-P407 VanDerWaalsContact CZ2-CB 3.43Å; W285-P407 HydrophobicContact CZ2-CG 4.08Å; W285-P407 HydrophobicContact CZ3-CB 4.32Å; W285-Y418 AromaticContact CH2-CD2 3.65Å; W285-Y418 HydrophobicContact CH2-CD2 3.65Å; W285-Y418 HydrophobicContact CH2-CE2 4.09Å; W285-Y418 HydrophobicContact CH2-CG 4.37Å; W285-Y418 HydrophobicContact CZ2-CD2 4.41Å; W285-Y418 HydrophobicContact CZ2-CE2 4.45Å; W285-Y418 HydrophobicContact CZ3-CD2 4.16Å; W285-A421 HydrophobicContact CH2-CB 3.42Å; W285-A421 VanDerWaalsContact CH2-CB 3.42Å; W285-A421 HydrophobicContact CZ2-CB 4.05Å; W285-A421 HydrophobicContact CZ3-CB 3.69Å; W285-R422 HydrophobicContact CH2-CG 4.01Å; W285-R422 HydrophobicContact CZ2-CG 4.11Å |
| 286 | M | 84.9 | Confident | 75.8 | Confident | 50 Ų | 50 | 85.3 Ų | 85.3 | 25% | 0.246 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -59.3 | -36.8 | 178.3 | -70.1 | 177.1 | 73.4 | 0 | 0 | 111.9 | C282 E283 C288 R417 Q420 A421 | C282-M286 VanDerWaalsContact O-CG 3.29Å; C282-M286 WeakPolarHBondContact O-CG 3.35Å; C282-M286 PolarHBondContact O-N 3.36Å; E283-M286 PolarHBondContact O-N 3.39Å; M286-C288 VanDerWaalsContact C-N 3.28Å; M286-C288 PolarHBondContact O-N 3.12Å; M286-R417 HydrophobicContact CE-CB 4.18Å; M286-R417 WeakPolarHBondContact CE-O 3.31Å; M286-R417 HydrophobicContact SD-CB 3.7Å; M286-R417 HydrophobicContact SD-CG 4.17Å; M286-Q420 HydrophobicContact CE-CB 3.97Å; M286-A421 HydrophobicContact CG-CB 4.48Å |
| 287 | N | 80.4 | Confident | 77.7 | Confident | 95 Ų | 95 | 86 Ų | 86 | 51% | 0.508 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 12.6 | -179.4 | -69 | -39.6 | 0 | 0 | 0 | 113.7 | E283 W285 K289 | E283-N287 VanDerWaalsContact CG-ND2 3.32Å; E283-N287 WeakPolarHBondContact CG-ND2 3.36Å; E283-N287 VanDerWaalsContact O-CB 3.28Å; E283-N287 WeakPolarHBondContact O-CB 3.5Å; E283-N287 PolarHBondContact O-N 3.06Å; E283-N287 PolarHBondContact O-ND2 3.42Å; E283-N287 VanDerWaalsContact O-ND2 3.13Å; W285-N287 PolarHBondContact O-N 2.85Å; N287-K289 PolarHBondContact O-N 2.86Å; N287-K289 VanDerWaalsContact O-N 3.08Å |
| 288 | C | 79.7 | Confident | 79.6 | Confident | 74 Ų | 74 | 84.3 Ų | 84.3 | 50% | 0.5 | 42% | 0.417 | S | S | . | . | trans | -67.6 | 106 | 178 | -171.9 | 0 | 0 | 0 | 0 | 111.5 | R284 W285 M286 S290 | R284-C288 PolarHBondContact O-N 3.46Å; W285-C288 WeakPolarHBondContact O-CB 3.22Å; W285-C288 PolarHBondContact O-N 2.86Å; W285-C288 VanDerWaalsContact O-N 3.1Å; M286-C288 VanDerWaalsContact C-N 3.28Å; M286-C288 PolarHBondContact O-N 3.12Å; C288-S290 PolarHBondContact O-N 3.45Å | ||
| 289 | K | 74.7 | Confident | 81.4 | Confident | 190 Ų | 190 | 80 Ų | 80 | 83% | 0.826 | 39% | 0.391 | S | S | * | . | trans | -96.5 | 63.5 | -178 | -66.5 | 177.5 | -175.3 | 176 | 0 | 112.5 | N287 | N287-K289 PolarHBondContact O-N 2.86Å; N287-K289 VanDerWaalsContact O-N 3.08Å | ||
| 290 | S | 82.9 | Confident | 83 | Confident | 33 Ų | 33 | 76.3 Ų | 76.3 | 23% | 0.231 | 37% | 0.369 | C | S | . | . | trans | -89.7 | 122.3 | 173.5 | 168.9 | 0 | 0 | 0 | 0 | 111.1 | C288 F292 L293 K294 | C288-S290 PolarHBondContact O-N 3.45Å; S290-F292 VanDerWaalsContact C-N 3.31Å; S290-F292 PolarHBondContact O-N 3.26Å; S290-L293 WeakPolarHBondContact O-CB 3.39Å; S290-L293 PolarHBondContact O-N 3.39Å; S290-L293 PolarHBondContact OG-N 3.45Å; S290-K294 WeakPolarHBondContact O-CB 3.49Å; S290-K294 PolarHBondContact O-N 2.98Å | ||
| 291 | E | 80.2 | Confident | 83.7 | Confident | 135 Ų | 135 | 77.6 Ų | 77.6 | 63% | 0.631 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -64.3 | -36.2 | 176.5 | -69.8 | -57.1 | 130.7 | 0 | 0 | 112.2 | K294 K295 | E291-K294 PolarHBondContact O-N 3.28Å; E291-K295 WeakPolarHBondContact O-CB 3.18Å; E291-K295 PolarHBondContact O-N 2.81Å |
| 292 | F | 83.7 | Confident | 84 | Confident | 88 Ų | 88 | 79.9 Ų | 79.9 | 39% | 0.386 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59 | -50.7 | 171.3 | 168.9 | -94.9 | 0 | 0 | 0 | 110.6 | I111 S290 K294 K295 Y296 | I111-F292 HydrophobicContact CD1-CD2 4.16Å; I111-F292 HydrophobicContact CD1-CE2 4.08Å; S290-F292 VanDerWaalsContact C-N 3.31Å; S290-F292 PolarHBondContact O-N 3.26Å; F292-K294 VanDerWaalsContact C-N 3.31Å; F292-K294 PolarHBondContact O-N 3.15Å; F292-K295 PolarHBondContact O-N 3.11Å; F292-Y296 WeakPolarHBondContact O-CB 2.98Å; F292-Y296 PolarHBondContact O-N 2.67Å |
| 293 | L | 80 | Confident | 84.3 | Confident | 52 Ų | 52 | 81.8 Ų | 81.8 | 27% | 0.272 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.7 | -44.2 | -178.2 | -173.4 | 65 | 0 | 0 | 0 | 110.6 | S290 Y296 M297 L390 | S290-L293 WeakPolarHBondContact O-CB 3.39Å; S290-L293 PolarHBondContact O-N 3.39Å; S290-L293 PolarHBondContact OG-N 3.45Å; L293-Y296 WeakPolarHBondContact O-CB 3.43Å; L293-Y296 PolarHBondContact O-N 3.33Å; L293-M297 HydrophobicContact CD1-CE 3.36Å; L293-M297 HydrophobicContact CD2-CE 4.1Å; L293-M297 HydrophobicContact CG-CE 3.54Å; L293-M297 VanDerWaalsContact O-CG 3.29Å; L293-M297 WeakPolarHBondContact O-CG 3.17Å; L293-M297 PolarHBondContact O-N 2.85Å; L293-L390 HydrophobicContact CD1-CD1 4.33Å |
| 294 | K | 79.7 | Confident | 84.7 | Confident | 134 Ų | 134 | 77.8 Ų | 77.8 | 58% | 0.583 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -60 | -47.7 | 176.4 | -173.3 | -179.5 | 178 | -174.6 | 0 | 112.2 | S290 E291 F292 Y296 M297 T298 | S290-K294 WeakPolarHBondContact O-CB 3.49Å; S290-K294 PolarHBondContact O-N 2.98Å; E291-K294 PolarHBondContact O-N 3.28Å; F292-K294 VanDerWaalsContact C-N 3.31Å; F292-K294 PolarHBondContact O-N 3.15Å; K294-Y296 VanDerWaalsContact C-N 3.3Å; K294-Y296 PolarHBondContact O-N 3.15Å; K294-M297 PolarHBondContact O-N 3Å; K294-T298 PolarHBondContact O-N 2.84Å; K294-T298 VanDerWaalsContact O-N 3.12Å; K294-T298 PolarHBondContact O-OG1 3.43Å; K294-T298 VanDerWaalsContact O-OG1 3.12Å |
| 295 | K | 83.9 | Confident | 85.2 | Confident | 99 Ų | 99 | 70.4 Ų | 70.4 | 43% | 0.43 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.8 | -40.3 | 176.1 | -174.4 | 173.7 | 176.9 | -178.2 | 0 | 111.3 | I111 N112 E291 F292 K299 | I111-K295 HydrophobicContact CD1-CD 4.11Å; N112-K295 PolarHBondContact OD1-NZ 3.36Å; E291-K295 WeakPolarHBondContact O-CB 3.18Å; E291-K295 PolarHBondContact O-N 2.81Å; F292-K295 PolarHBondContact O-N 3.11Å; K295-K299 PolarHBondContact O-N 3.31Å; K295-K299 VanDerWaalsContact O-N 3.11Å |
| 296 | Y | 85.2 | Confident | 85.7 | Confident | 37 Ų | 37 | 68.6 Ų | 68.6 | 15% | 0.145 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.6 | -45.5 | 176.4 | -173.1 | -101.9 | 0 | 0 | 0 | 112.1 | F292 L293 K294 T298 K299 V300 T364 L390 | F292-Y296 WeakPolarHBondContact O-CB 2.98Å; F292-Y296 PolarHBondContact O-N 2.67Å; L293-Y296 WeakPolarHBondContact O-CB 3.43Å; L293-Y296 PolarHBondContact O-N 3.33Å; K294-Y296 VanDerWaalsContact C-N 3.3Å; K294-Y296 PolarHBondContact O-N 3.15Å; Y296-T298 VanDerWaalsContact C-N 3.34Å; Y296-T298 PolarHBondContact O-N 3.29Å; Y296-K299 WeakPolarHBondContact O-CB 3.39Å; Y296-K299 PolarHBondContact O-N 2.77Å; Y296-K299 VanDerWaalsContact O-N 3.11Å; Y296-V300 HydrophobicContact CD1-CG2 3.86Å; Y296-V300 HydrophobicContact CE1-CG2 3.5Å; Y296-V300 HydrophobicContact CE2-CG2 4.35Å; Y296-V300 HydrophobicContact CG-CG2 4.42Å; Y296-V300 WeakPolarHBondContact O-CG2 3.27Å; Y296-V300 PolarHBondContact O-N 3.25Å; Y296-T364 HydrophobicContact CE2-CG2 4.12Å; Y296-L390 HydrophobicContact CD1-CD1 4.05Å; Y296-L390 HydrophobicContact CD1-CD2 4.35Å; Y296-L390 HydrophobicContact CE1-CB 4.11Å; Y296-L390 HydrophobicContact CE1-CD1 3.92Å; Y296-L390 HydrophobicContact CE1-CD2 3.94Å; Y296-L390 HydrophobicContact CE1-CG 4.22Å; Y296-L390 PolarHBondContact OH-O 2.85Å |
| 297 | M | 86.3 | Confident | 86.3 | Confident | 52 Ų | 52 | 66.2 Ų | 66.2 | 26% | 0.256 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.2 | -44.8 | 176.1 | -65.8 | -47.4 | 172.5 | 0 | 0 | 112.6 | L293 K294 K299 V300 A301 L390 R422 | L293-M297 HydrophobicContact CD1-CE 3.36Å; L293-M297 HydrophobicContact CD2-CE 4.1Å; L293-M297 HydrophobicContact CG-CE 3.54Å; L293-M297 VanDerWaalsContact O-CG 3.29Å; L293-M297 WeakPolarHBondContact O-CG 3.17Å; L293-M297 PolarHBondContact O-N 2.85Å; K294-M297 PolarHBondContact O-N 3Å; M297-K299 VanDerWaalsContact C-N 3.25Å; M297-K299 PolarHBondContact O-N 3.02Å; M297-V300 PolarHBondContact O-N 2.87Å; M297-A301 WeakPolarHBondContact O-CB 3.26Å; M297-A301 PolarHBondContact O-N 2.02Å; M297-L390 HydrophobicContact CE-CD1 3.76Å; M297-L390 HydrophobicContact SD-CD1 3.98Å; M297-L390 HydrophobicContact SD-CD2 3.77Å; M297-L390 HydrophobicContact SD-CG 4.43Å; M297-R422 VanDerWaalsContact CE-CZ 3.44Å; M297-R422 PolarHBondContact SD-NH1 2.97Å |
| 298 | T | 89.2 | Confident | 87.1 | Confident | 80 Ų | 80 | 62.2 Ų | 62.2 | 49% | 0.491 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.9 | -40.3 | 177.9 | -56.2 | 0 | 0 | 0 | 0 | 110.7 | K294 Y296 A301 N302 | K294-T298 PolarHBondContact O-N 2.84Å; K294-T298 VanDerWaalsContact O-N 3.12Å; K294-T298 PolarHBondContact O-OG1 3.43Å; K294-T298 VanDerWaalsContact O-OG1 3.12Å; Y296-T298 VanDerWaalsContact C-N 3.34Å; Y296-T298 PolarHBondContact O-N 3.29Å; T298-A301 PolarHBondContact O-N 3.39Å; T298-N302 VanDerWaalsContact O-CG 3.25Å; T298-N302 PolarHBondContact O-N 2.9Å; T298-N302 PolarHBondContact O-ND2 2.86Å; T298-N302 VanDerWaalsContact O-ND2 3.15Å |
| 299 | K | 88.6 | Confident | 87.9 | Confident | 57 Ų | 57 | 60.9 Ų | 60.9 | 25% | 0.248 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.4 | -46.8 | 175.8 | -170 | 174.3 | -174.2 | -174.8 | 0 | 111.6 | I111 K295 Y296 M297 A301 N302 D303 T363 T364 | I111-K299 HydrophobicContact CG2-CD 4.17Å; K295-K299 PolarHBondContact O-N 3.31Å; K295-K299 VanDerWaalsContact O-N 3.11Å; Y296-K299 WeakPolarHBondContact O-CB 3.39Å; Y296-K299 PolarHBondContact O-N 2.77Å; Y296-K299 VanDerWaalsContact O-N 3.11Å; M297-K299 VanDerWaalsContact C-N 3.25Å; M297-K299 PolarHBondContact O-N 3.02Å; K299-A301 VanDerWaalsContact C-N 3.35Å; K299-A301 PolarHBondContact O-N 3Å; K299-N302 PolarHBondContact O-N 2.96Å; K299-N302 VanDerWaalsContact O-N 3.16Å; K299-D303 VanDerWaalsContact CG-OD2 3.29Å; K299-D303 WeakPolarHBondContact CG-OD2 3.34Å; K299-D303 WeakPolarHBondContact O-CB 3.42Å; K299-D303 VanDerWaalsContact O-CG 3.25Å; K299-D303 PolarHBondContact O-N 3.44Å; K299-T363 WeakPolarHBondContact CE-O 3.29Å; K299-T363 PolarHBondContact NZ-O 3.31Å; K299-T364 HydrophobicContact CB-CG2 4.36Å; K299-T364 HydrophobicContact CD-CG2 3.85Å; K299-T364 HydrophobicContact CG-CG2 3.73Å |
| 300 | V | 90.2 | Very high | 89 | Confident | 6 Ų | 6 | 55.5 Ų | 55.5 | 4% | 0.036 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.3 | -45.3 | 176.3 | 170.2 | 0 | 0 | 0 | 0 | 111.6 | Y296 M297 N302 D303 L304 T364 A366 L390 | Y296-V300 HydrophobicContact CD1-CG2 3.86Å; Y296-V300 HydrophobicContact CE1-CG2 3.5Å; Y296-V300 HydrophobicContact CE2-CG2 4.35Å; Y296-V300 HydrophobicContact CG-CG2 4.42Å; Y296-V300 WeakPolarHBondContact O-CG2 3.27Å; Y296-V300 PolarHBondContact O-N 3.25Å; M297-V300 PolarHBondContact O-N 2.87Å; V300-N302 PolarHBondContact O-N 3.05Å; V300-D303 PolarHBondContact O-N 2.76Å; V300-L304 HydrophobicContact CG1-CD1 3.44Å; V300-L304 VanDerWaalsContact CG1-CD1 3.44Å; V300-L304 HydrophobicContact CG1-CG 3.93Å; V300-L304 WeakPolarHBondContact O-CB 3.21Å; V300-L304 VanDerWaalsContact O-CG 3.28Å; V300-L304 WeakPolarHBondContact O-CG 3.48Å; V300-L304 PolarHBondContact O-N 3.14Å; V300-T364 HydrophobicContact CG2-CG2 4.03Å; V300-A366 HydrophobicContact CB-CB 4.32Å; V300-A366 HydrophobicContact CG1-CB 3.74Å; V300-A366 HydrophobicContact CG2-CB 3.64Å; V300-L390 HydrophobicContact CG1-CD2 4.16Å; V300-L390 HydrophobicContact CG2-CD2 4.18Å |
| 301 | A | 89.4 | Confident | 89.6 | Confident | 75 Ų | 75 | 54.6 Ų | 54.6 | 62% | 0.62 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63.1 | -29.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | M297 T298 K299 | M297-A301 WeakPolarHBondContact O-CB 3.26Å; M297-A301 PolarHBondContact O-N 2.02Å; T298-A301 PolarHBondContact O-N 3.39Å; K299-A301 VanDerWaalsContact C-N 3.35Å; K299-A301 PolarHBondContact O-N 3Å |
| 302 | N | 88.3 | Confident | 90.4 | Very high | 112 Ų | 112 | 48.9 Ų | 48.9 | 60% | 0.599 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -85.5 | -33 | 178 | -68 | -26.4 | 0 | 0 | 0 | 113.1 | T298 K299 V300 | T298-N302 VanDerWaalsContact O-CG 3.25Å; T298-N302 PolarHBondContact O-N 2.9Å; T298-N302 PolarHBondContact O-ND2 2.86Å; T298-N302 VanDerWaalsContact O-ND2 3.15Å; K299-N302 PolarHBondContact O-N 2.96Å; K299-N302 VanDerWaalsContact O-N 3.16Å; V300-N302 PolarHBondContact O-N 3.05Å |
| 303 | D | 87.7 | Confident | 90.9 | Very high | 40 Ų | 40 | 48 Ų | 48 | 21% | 0.214 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -85.3 | -32.4 | -173.5 | -70.4 | -14.7 | 0 | 0 | 0 | 112.5 | K299 V300 R329 T363 T364 | K299-D303 VanDerWaalsContact CG-OD2 3.29Å; K299-D303 WeakPolarHBondContact CG-OD2 3.34Å; K299-D303 WeakPolarHBondContact O-CB 3.42Å; K299-D303 VanDerWaalsContact O-CG 3.25Å; K299-D303 PolarHBondContact O-N 3.44Å; V300-D303 PolarHBondContact O-N 2.76Å; D303-R329 PolarHBondContact O-NH2 3.33Å; D303-T363 PolarHBondContact OD1-OG1 2.82Å; D303-T363 WeakPolarHBondContact OD2-CB 3.18Å; D303-T363 PolarHBondContact OD2-OG1 2.78Å; D303-T364 WeakPolarHBondContact OD2-CG2 3.47Å |
| 304 | L | 93.3 | Very high | 91.6 | Very high | 15 Ų | 15 | 51 Ų | 51 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -76.8 | 143.9 | -176.2 | -70.5 | -172.9 | 0 | 0 | 0 | 112.9 | V300 A366 Q368 P388 | V300-L304 HydrophobicContact CG1-CD1 3.44Å; V300-L304 VanDerWaalsContact CG1-CD1 3.44Å; V300-L304 HydrophobicContact CG1-CG 3.93Å; V300-L304 WeakPolarHBondContact O-CB 3.21Å; V300-L304 VanDerWaalsContact O-CG 3.28Å; V300-L304 WeakPolarHBondContact O-CG 3.48Å; V300-L304 PolarHBondContact O-N 3.14Å; L304-A366 HydrophobicContact CD1-CB 4.22Å; L304-A366 HydrophobicContact CD2-CB 4.26Å; L304-A366 HydrophobicContact CG-CB 4.46Å; L304-Q368 HydrophobicContact CB-CB 4.32Å; L304-Q368 HydrophobicContact CD1-CB 4.26Å; L304-Q368 HydrophobicContact CD2-CB 4.46Å; L304-P388 HydrophobicContact CD1-CB 3.71Å |
| 305 | P | 95.5 | Very high | 92.3 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.019 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 156.3 | 174.9 | 28.8 | -34.2 | 0 | 0 | 0 | 111.9 | D324 F331 W333 Q368 | P305-D324 HydrophobicContact CB-CB 4.45Å; P305-F331 HydrophobicContact CB-CB 4.13Å; P305-F331 HydrophobicContact CB-CD1 3.81Å; P305-F331 HydrophobicContact CB-CD2 3.59Å; P305-F331 HydrophobicContact CB-CE1 3.98Å; P305-F331 HydrophobicContact CB-CE2 3.77Å; P305-F331 HydrophobicContact CB-CG 3.58Å; P305-F331 HydrophobicContact CB-CZ 3.92Å; P305-F331 HydrophobicContact CG-CB 4.1Å; P305-F331 HydrophobicContact CG-CD1 3.71Å; P305-F331 HydrophobicContact CG-CD2 4.33Å; P305-F331 HydrophobicContact CG-CE1 4.11Å; P305-F331 HydrophobicContact CG-CG 3.8Å; P305-W333 HydrophobicContact CB-CZ2 3.85Å; P305-W333 HydrophobicContact CG-CH2 3.92Å; P305-W333 HydrophobicContact CG-CZ2 3.43Å; P305-W333 VanDerWaalsContact CG-CZ2 3.43Å; P305-Q368 HydrophobicContact CG-CB 4.02Å; P305-Q368 WeakPolarHBondContact O-CG 3.23Å |
| 306 | S | 95.8 | Very high | 92.6 | Very high | 13 Ų | 13 | 42.7 Ų | 42.7 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 148.5 | 169.1 | -61.8 | 0 | 0 | 0 | 0 | 112.1 | D324 L326 N425 | S306-D324 PolarHBondContact N-OD2 3Å; S306-L326 WeakPolarHBondContact OG-CD1 3.38Å; S306-N425 WeakPolarHBondContact CA-OD1 3.47Å |
| 307 | C | 97.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.007 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 129.5 | 177.3 | -73.4 | 0 | 0 | 0 | 0 | 111.6 | C370 L378 N425 | C307-C370 WeakPolarHBondContact CA-SG 3.48Å; C307-C370 HydrophobicContact CB-CB 3.82Å; C307-C370 WeakPolarHBondContact CB-SG 3.47Å; C307-C370 WeakPolarHBondContact SG-CB 3.39Å; C307-C370 CovalentContact SG-SG 2.03Å; C307-C370 PolarHBondContact SG-SG 2.85Å; C307-L378 HydrophobicContact CB-CD1 3.69Å; C307-L378 HydrophobicContact CB-CD2 3.63Å; C307-L378 HydrophobicContact CB-CG 4.34Å; C307-N425 WeakPolarHBondContact CB-O 3.31Å; C307-N425 PolarHBondContact N-OD1 3.46Å |
| 308 | P | 97.1 | Very high | 93 | Very high | 10 Ų | 10 | 52.3 Ų | 52.3 | 7% | 0.065 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 139.4 | 170.1 | -20.6 | 31.8 | 0 | 0 | 0 | 111.3 | S310 P312 V322 I354 Y372 | P308-S310 PolarHBondContact O-N 3.17Å; P308-P312 HydrophobicContact CG-CG 4.38Å; P308-V322 HydrophobicContact CG-CG1 3.95Å; P308-I354 HydrophobicContact CG-CD1 4.43Å; P308-Y372 VanDerWaalsContact O-CE1 3.27Å; P308-Y372 WeakPolarHBondContact O-CE1 3.22Å; P308-Y372 PolarHBondContact O-OH 3.14Å |
| 309 | C | 96.8 | Very high | 93.3 | Very high | 46 Ų | 46 | 51.6 Ų | 51.6 | 31% | 0.311 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -66.7 | -23.5 | -179.1 | -58.7 | 0 | 0 | 0 | 0 | 114.4 | L378 C430 | C309-L378 PolarHBondContact O-N 3.29Å; C309-C430 WeakPolarHBondContact CA-SG 3.44Å; C309-C430 HydrophobicContact CB-CB 3.74Å; C309-C430 WeakPolarHBondContact CB-SG 3.14Å; C309-C430 VanDerWaalsContact SG-CA 3.53Å; C309-C430 WeakPolarHBondContact SG-CB 3.33Å; C309-C430 CovalentContact SG-SG 2.03Å; C309-C430 PolarHBondContact SG-SG 3.39Å |
| 310 | S | 97.1 | Very high | 93.6 | Very high | 78 Ų | 78 | 49.6 Ų | 49.6 | 55% | 0.545 | 29% | 0.29 | S | S | . | . | B | Isolated β-bridge | trans | -124.7 | 144.7 | 176.9 | 55.1 | 0 | 0 | 0 | 0 | 110.6 | P308 P312 Y372 M376 | P308-S310 PolarHBondContact O-N 3.17Å; S310-P312 WeakPolarHBondContact O-CD 3.49Å; S310-Y372 VanDerWaalsContact C-CE1 3.42Å; S310-M376 WeakPolarHBondContact CA-O 3.44Å |
| 311 | Y | 97.3 | Very high | 93.8 | Very high | 13 Ų | 13 | 54.1 Ų | 54.1 | 5% | 0.051 | 31% | 0.313 | C | S | . | . | trans | -61.5 | 122 | 176.7 | -179.6 | -93.8 | 0 | 0 | 0 | 110.4 | T313 A316 D335 Y352 I354 Y372 M376 | Y311-T313 HydrophobicContact CD1-CG2 4.23Å; Y311-T313 PolarHBondContact O-N 3.18Å; Y311-T313 VanDerWaalsContact O-N 3.17Å; Y311-A316 HydrophobicContact CE1-CB 4.24Å; Y311-A316 WeakPolarHBondContact OH-CA 3.34Å; Y311-A316 PolarHBondContact OH-N 2.9Å; Y311-D335 PolarHBondContact OH-OD1 3.47Å; Y311-Y352 HydrophobicContact CD2-CG 4.44Å; Y311-Y352 HydrophobicContact CE2-CG 4.43Å; Y311-I354 HydrophobicContact CD2-CG2 3.68Å; Y311-I354 HydrophobicContact CE2-CG2 3.28Å; Y311-Y372 AromaticContact CD2-CD2 3.68Å; Y311-Y372 HydrophobicContact CD2-CD2 3.68Å; Y311-Y372 AromaticContact CD2-CE2 3.96Å; Y311-Y372 HydrophobicContact CD2-CE2 3.96Å; Y311-Y372 HydrophobicContact CD2-CG 4.22Å; Y311-Y372 HydrophobicContact CG-CD2 4.41Å; Y311-Y372 VanDerWaalsContact N-CE1 3.3Å; Y311-M376 HydrophobicContact CD1-SD 4.49Å; Y311-M376 PolarHBondContact N-O 3.3Å | ||
| 312 | P | 96.1 | Very high | 94.1 | Very high | 16 Ų | 16 | 51.9 Ų | 51.9 | 10% | 0.104 | 29% | 0.292 | C | S | . | . | trans | -73 | 106.2 | 174.6 | -9.5 | 25.1 | 0 | 0 | 0 | 109.5 | P308 S310 E314 V315 V322 I354 | P308-P312 HydrophobicContact CG-CG 4.38Å; S310-P312 WeakPolarHBondContact O-CD 3.49Å; P312-E314 PolarHBondContact O-N 2.72Å; P312-E314 VanDerWaalsContact O-N 3.13Å; P312-V315 HydrophobicContact CB-CG2 3.94Å; P312-V315 HydrophobicContact CG-CG2 4.35Å; P312-V315 VanDerWaalsContact O-CB 3.23Å; P312-V315 WeakPolarHBondContact O-CB 3.34Å; P312-V315 PolarHBondContact O-N 3.23Å; P312-V322 HydrophobicContact CB-CG2 4.12Å; P312-V322 HydrophobicContact CG-CG2 3.9Å; P312-I354 HydrophobicContact CG-CD1 4.22Å | ||
| 313 | T | 94.3 | Very high | 94.5 | Very high | 68 Ų | 68 | 51.3 Ų | 51.3 | 42% | 0.417 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -63.4 | -22.4 | -171.1 | 44.8 | 0 | 0 | 0 | 0 | 114.4 | Y311 V315 A316 M376 | Y311-T313 HydrophobicContact CD1-CG2 4.23Å; Y311-T313 PolarHBondContact O-N 3.18Å; Y311-T313 VanDerWaalsContact O-N 3.17Å; T313-V315 PolarHBondContact O-N 3.16Å; T313-A316 WeakPolarHBondContact O-CB 3.49Å; T313-A316 PolarHBondContact O-N 2.06Å; T313-M376 HydrophobicContact CG2-CE 4.25Å; T313-M376 HydrophobicContact CG2-SD 3.88Å |
| 314 | E | 93.4 | Very high | 94.8 | Very high | 117 Ų | 117 | 49.5 Ų | 49.5 | 55% | 0.547 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -61.6 | -30.5 | 176 | -58.6 | 71.4 | -152.9 | 0 | 0 | 111.3 | P312 A316 Y317 S318 A320 | P312-E314 PolarHBondContact O-N 2.72Å; P312-E314 VanDerWaalsContact O-N 3.13Å; E314-A316 PolarHBondContact O-N 3.11Å; E314-Y317 PolarHBondContact O-N 2.82Å; E314-S318 PolarHBondContact O-N 3.49Å; E314-A320 HydrophobicContact CB-CB 3.91Å |
| 315 | V | 94.6 | Very high | 94.7 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.018 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -66.2 | -24.1 | -178.4 | 177.2 | 0 | 0 | 0 | 0 | 112.3 | P312 T313 Y317 S318 A320 W333 D335 I354 | P312-V315 HydrophobicContact CB-CG2 3.94Å; P312-V315 HydrophobicContact CG-CG2 4.35Å; P312-V315 VanDerWaalsContact O-CB 3.23Å; P312-V315 WeakPolarHBondContact O-CB 3.34Å; P312-V315 PolarHBondContact O-N 3.23Å; T313-V315 PolarHBondContact O-N 3.16Å; V315-Y317 PolarHBondContact O-N 3.32Å; V315-S318 CarbonylContact C-O 3.57Å; V315-S318 WeakPolarHBondContact CA-O 3.4Å; V315-A320 HydrophobicContact CG2-CB 3.53Å; V315-W333 HydrophobicContact CG2-CB 4.08Å; V315-D335 HydrophobicContact CG1-CB 4.05Å; V315-D335 WeakPolarHBondContact O-CB 2.98Å; V315-I354 HydrophobicContact CB-CG2 4.37Å; V315-I354 HydrophobicContact CG1-CB 4.38Å; V315-I354 HydrophobicContact CG1-CG2 3.76Å |
| 316 | A | 91.1 | Very high | 94.4 | Very high | 54 Ų | 54 | 57.5 Ų | 57.5 | 45% | 0.446 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -66.8 | -25.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y311 T313 E314 | Y311-A316 HydrophobicContact CE1-CB 4.24Å; Y311-A316 WeakPolarHBondContact OH-CA 3.34Å; Y311-A316 PolarHBondContact OH-N 2.9Å; T313-A316 WeakPolarHBondContact O-CB 3.49Å; T313-A316 PolarHBondContact O-N 2.06Å; E314-A316 PolarHBondContact O-N 3.11Å |
| 317 | Y | 88.8 | Confident | 94.1 | Very high | 213 Ų | 213 | 59 Ų | 59 | 84% | 0.835 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108 | -25.1 | -175.5 | -57.2 | -78.5 | 0 | 0 | 0 | 113.1 | E314 V315 | E314-Y317 PolarHBondContact O-N 2.82Å; V315-Y317 PolarHBondContact O-N 3.32Å |
| 318 | S | 92.1 | Very high | 93.8 | Very high | 79 Ų | 79 | 69 Ų | 69 | 55% | 0.552 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -161.5 | -175.7 | -178.4 | -169.6 | 0 | 0 | 0 | 0 | 110.5 | E314 V315 | E314-S318 PolarHBondContact O-N 3.49Å; V315-S318 CarbonylContact C-O 3.57Å; V315-S318 WeakPolarHBondContact CA-O 3.4Å |
| 319 | T | 94.3 | Very high | 93.5 | Very high | 65 Ų | 65 | 74.2 Ų | 74.2 | 40% | 0.399 | 39% | 0.387 | S | S | . | . | trans | -72.3 | 141.9 | 167.4 | 59.7 | 0 | 0 | 0 | 0 | 110.7 | W333 K334 M357 | T319-W333 CarbonylContact C-O 3.16Å; T319-W333 VanDerWaalsContact CA-O 3.24Å; T319-W333 WeakPolarHBondContact CA-O 3.34Å; T319-K334 HydrophobicContact CG2-CB 4.24Å; T319-M357 HydrophobicContact CG2-CE 4.45Å; T319-M357 HydrophobicContact CG2-SD 3.48Å; T319-M357 WeakPolarHBondContact CG2-SD 3.34Å | ||
| 320 | A | 95 | Very high | 93.3 | Very high | 15 Ų | 15 | 77.2 Ų | 77.2 | 12% | 0.124 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 141.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E314 V315 W333 | E314-A320 HydrophobicContact CB-CB 3.91Å; V315-A320 HydrophobicContact CG2-CB 3.53Å; A320-W333 PolarHBondContact N-O 3.17Å; A320-W333 PolarHBondContact O-N 2.85Å |
| 321 | D | 95.5 | Very high | 93.2 | Very high | 100 Ų | 100 | 75.1 Ų | 75.1 | 54% | 0.535 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 122.4 | 172.9 | -62.2 | -44.8 | 0 | 0 | 0 | 108.7 | F331 R332 | D321-F331 CarbonylContact C-O 3.58Å; D321-F331 WeakPolarHBondContact CA-O 3.22Å; D321-R332 WeakPolarHBondContact OD1-CA 3.08Å; D321-R332 VanDerWaalsContact OD1-CB 3.26Å; D321-R332 WeakPolarHBondContact OD1-CB 3.37Å; D321-R332 WeakPolarHBondContact OD1-CG 3.23Å; D321-R332 IonicContact OD1-CZ 3.15Å; D321-R332 IonicContact OD1-NE 3.26Å; D321-R332 PolarHBondContact OD1-NE 3.42Å; D321-R332 IonicContact OD1-NH2 3.29Å; D321-R332 IonicContact OD2-NH2 2.77Å |
| 322 | V | 95.8 | Very high | 93 | Very high | 29 Ų | 29 | 80.2 Ų | 80.2 | 18% | 0.176 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 128.8 | -177.1 | -177.2 | 0 | 0 | 0 | 0 | 109.1 | P308 P312 F331 W333 | P308-V322 HydrophobicContact CG-CG1 3.95Å; P312-V322 HydrophobicContact CB-CG2 4.12Å; P312-V322 HydrophobicContact CG-CG2 3.9Å; V322-F331 PolarHBondContact N-O 3.23Å; V322-F331 PolarHBondContact O-N 2.89Å; V322-W333 HydrophobicContact CG2-CG 4.3Å |
| 323 | H | 94.9 | Very high | 93.1 | Very high | 99 Ų | 99 | 79.5 Ų | 79.5 | 46% | 0.458 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 127.8 | 178.4 | -168.6 | 70.9 | 0 | 0 | 0 | 111.4 | P325 D330 | H323-P325 WeakPolarHBondContact O-CD 3.05Å; H323-D330 VanDerWaalsContact CA-OD1 3.24Å; H323-D330 WeakPolarHBondContact CA-OD1 3.17Å; H323-D330 VanDerWaalsContact CB-OD1 3.24Å; H323-D330 WeakPolarHBondContact CB-OD1 3.41Å; H323-D330 IonicContact CE1-OD1 3.95Å; H323-D330 IonicContact CG-OD1 3.38Å; H323-D330 IonicContact ND1-OD1 2.75Å; H323-D330 PolarHBondContact ND1-OD1 3.38Å |
| 324 | D | 94.1 | Very high | 93.1 | Very high | 3 Ų | 3 | 79 Ų | 79 | 2% | 0.016 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 110.9 | 171.2 | 179.1 | 22 | 0 | 0 | 0 | 110.8 | P305 S306 L326 T327 R328 R329 F331 | P305-D324 HydrophobicContact CB-CB 4.45Å; S306-D324 PolarHBondContact N-OD2 3Å; D324-L326 PolarHBondContact O-N 3.11Å; D324-L326 PolarHBondContact OD1-N 3.17Å; D324-T327 WeakPolarHBondContact CB-OG1 3.15Å; D324-T327 PolarHBondContact O-N 3Å; D324-T327 WeakPolarHBondContact OD2-CG2 3.36Å; D324-T327 PolarHBondContact OD2-OG1 3Å; D324-R328 VanDerWaalsContact O-CA 3.31Å; D324-R328 WeakPolarHBondContact O-CA 3.18Å; D324-R328 PolarHBondContact O-N 2.91Å; D324-R329 PolarHBondContact N-O 3.26Å; D324-F331 HydrophobicContact CB-CD2 3.98Å; D324-F331 HydrophobicContact CB-CE2 3.86Å |
| 325 | P | 91.4 | Very high | 93.2 | Very high | 80 Ų | 80 | 76 Ų | 76 | 52% | 0.519 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -27.1 | -177.4 | -22.7 | 33.7 | 0 | 0 | 0 | 114.2 | H323 | H323-P325 WeakPolarHBondContact O-CD 3.05Š|
| 326 | L | 89.5 | Confident | 93.2 | Very high | 105 Ų | 105 | 76 Ų | 76 | 55% | 0.55 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -45.5 | -175.8 | -76.5 | 166.4 | 0 | 0 | 0 | 112.1 | S306 D324 G427 | S306-L326 WeakPolarHBondContact OG-CD1 3.38Å; D324-L326 PolarHBondContact O-N 3.11Å; D324-L326 PolarHBondContact OD1-N 3.17Å; L326-G427 VanDerWaalsContact CD1-C 3.47Å; L326-G427 VanDerWaalsContact CD1-O 3.31Å; L326-G427 WeakPolarHBondContact CD1-O 3.25Å |
| 327 | T | 89.3 | Confident | 93.3 | Very high | 46 Ų | 46 | 75.1 Ų | 75.1 | 28% | 0.282 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -12.7 | 178.2 | 58.6 | 0 | 0 | 0 | 0 | 112.8 | D324 R329 F331 | D324-T327 WeakPolarHBondContact CB-OG1 3.15Å; D324-T327 PolarHBondContact O-N 3Å; D324-T327 WeakPolarHBondContact OD2-CG2 3.36Å; D324-T327 PolarHBondContact OD2-OG1 3Å; T327-R329 VanDerWaalsContact C-N 3.26Å; T327-R329 PolarHBondContact O-N 2.86Å; T327-F331 VanDerWaalsContact OG1-CE2 3.27Å; T327-F331 WeakPolarHBondContact OG1-CE2 3.43Å |
| 328 | R | 91.3 | Very high | 93.3 | Very high | 210 Ų | 210 | 66.4 Ų | 66.4 | 79% | 0.792 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 37.8 | -175 | -51.5 | -173.7 | -152 | 167.9 | 6.2 | 113 | D324 | D324-R328 VanDerWaalsContact O-CA 3.31Å; D324-R328 WeakPolarHBondContact O-CA 3.18Å; D324-R328 PolarHBondContact O-N 2.91Å |
| 329 | R | 90.8 | Very high | 92.9 | Very high | 120 Ų | 120 | 68.5 Ų | 68.5 | 45% | 0.453 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 153 | 178.6 | -62.9 | -175.4 | -58.9 | -175.7 | 0.5 | 109.9 | D303 D324 T327 F331 | D303-R329 PolarHBondContact O-NH2 3.33Å; D324-R329 PolarHBondContact N-O 3.26Å; T327-R329 VanDerWaalsContact C-N 3.26Å; T327-R329 PolarHBondContact O-N 2.86Å; R329-F331 HydrophobicContact CB-CD2 4.36Å; R329-F331 HydrophobicContact CB-CE2 3.72Å; R329-F331 HydrophobicContact CB-CZ 4.22Å; R329-F331 WeakPolarHBondContact O-CD2 3.16Å |
| 330 | D | 92.3 | Very high | 92.3 | Very high | 109 Ų | 109 | 74.9 Ų | 74.9 | 58% | 0.583 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 135 | 171 | -58.5 | -40.5 | 0 | 0 | 0 | 109.5 | H323 | H323-D330 VanDerWaalsContact CA-OD1 3.24Å; H323-D330 WeakPolarHBondContact CA-OD1 3.17Å; H323-D330 VanDerWaalsContact CB-OD1 3.24Å; H323-D330 WeakPolarHBondContact CB-OD1 3.41Å; H323-D330 IonicContact CE1-OD1 3.95Å; H323-D330 IonicContact CG-OD1 3.38Å; H323-D330 IonicContact ND1-OD1 2.75Å; H323-D330 PolarHBondContact ND1-OD1 3.38Å |
| 331 | F | 94.4 | Very high | 91.9 | Very high | 33 Ų | 33 | 76 Ų | 76 | 15% | 0.145 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 141.1 | 177.4 | -66.9 | -101.4 | 0 | 0 | 0 | 109.8 | P305 D321 V322 D324 T327 R329 | P305-F331 HydrophobicContact CB-CB 4.13Å; P305-F331 HydrophobicContact CB-CD1 3.81Å; P305-F331 HydrophobicContact CB-CD2 3.59Å; P305-F331 HydrophobicContact CB-CE1 3.98Å; P305-F331 HydrophobicContact CB-CE2 3.77Å; P305-F331 HydrophobicContact CB-CG 3.58Å; P305-F331 HydrophobicContact CB-CZ 3.92Å; P305-F331 HydrophobicContact CG-CB 4.1Å; P305-F331 HydrophobicContact CG-CD1 3.71Å; P305-F331 HydrophobicContact CG-CD2 4.33Å; P305-F331 HydrophobicContact CG-CE1 4.11Å; P305-F331 HydrophobicContact CG-CG 3.8Å; D321-F331 CarbonylContact C-O 3.58Å; D321-F331 WeakPolarHBondContact CA-O 3.22Å; V322-F331 PolarHBondContact N-O 3.23Å; V322-F331 PolarHBondContact O-N 2.89Å; D324-F331 HydrophobicContact CB-CD2 3.98Å; D324-F331 HydrophobicContact CB-CE2 3.86Å; T327-F331 VanDerWaalsContact OG1-CE2 3.27Å; T327-F331 WeakPolarHBondContact OG1-CE2 3.43Å; R329-F331 HydrophobicContact CB-CD2 4.36Å; R329-F331 HydrophobicContact CB-CE2 3.72Å; R329-F331 HydrophobicContact CB-CZ 4.22Å; R329-F331 WeakPolarHBondContact O-CD2 3.16Å |
| 332 | R | 94.6 | Very high | 91.4 | Very high | 120 Ų | 120 | 76.7 Ų | 76.7 | 45% | 0.453 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 130.4 | 176.2 | -167.4 | 168.9 | -65.9 | 171.7 | 0.3 | 110.6 | D321 S356 M357 | D321-R332 WeakPolarHBondContact OD1-CA 3.08Å; D321-R332 VanDerWaalsContact OD1-CB 3.26Å; D321-R332 WeakPolarHBondContact OD1-CB 3.37Å; D321-R332 WeakPolarHBondContact OD1-CG 3.23Å; D321-R332 IonicContact OD1-CZ 3.15Å; D321-R332 IonicContact OD1-NE 3.26Å; D321-R332 PolarHBondContact OD1-NE 3.42Å; D321-R332 IonicContact OD1-NH2 3.29Å; D321-R332 IonicContact OD2-NH2 2.77Å; R332-S356 CarbonylContact O-C 3.58Å; R332-S356 WeakPolarHBondContact O-CA 3.27Å; R332-M357 HydrophobicContact CB-CB 4.23Å; R332-M357 HydrophobicContact CB-CG 4.48Å; R332-M357 HydrophobicContact CG-CB 4.43Å; R332-M357 HydrophobicContact CG-CG 4.22Å; R332-M357 HydrophobicContact CG-SD 3.74Å; R332-M357 PolarHBondContact O-N 2.73Å |
| 333 | W | 96.7 | Very high | 91.1 | Very high | 2 Ų | 2 | 76.2 Ų | 76.2 | 1% | 0.008 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 153.3 | 179.1 | -64.6 | 86.1 | 0 | 0 | 0 | 110.9 | P305 V315 T319 A320 V322 I354 R355 Q368 C370 | P305-W333 HydrophobicContact CB-CZ2 3.85Å; P305-W333 HydrophobicContact CG-CH2 3.92Å; P305-W333 HydrophobicContact CG-CZ2 3.43Å; P305-W333 VanDerWaalsContact CG-CZ2 3.43Å; V315-W333 HydrophobicContact CG2-CB 4.08Å; T319-W333 CarbonylContact C-O 3.16Å; T319-W333 VanDerWaalsContact CA-O 3.24Å; T319-W333 WeakPolarHBondContact CA-O 3.34Å; A320-W333 PolarHBondContact N-O 3.17Å; A320-W333 PolarHBondContact O-N 2.85Å; V322-W333 HydrophobicContact CG2-CG 4.3Å; W333-I354 HydrophobicContact CD2-CD1 3.96Å; W333-I354 HydrophobicContact CD2-CG1 4.33Å; W333-I354 HydrophobicContact CE3-CB 4.1Å; W333-I354 HydrophobicContact CE3-CD1 3.56Å; W333-I354 HydrophobicContact CE3-CG1 3.47Å; W333-I354 VanDerWaalsContact CE3-CG1 3.47Å; W333-I354 HydrophobicContact CG-CD1 4.44Å; W333-I354 HydrophobicContact CZ3-CD1 3.96Å; W333-I354 HydrophobicContact CZ3-CG1 3.73Å; W333-R355 WeakPolarHBondContact CA-O 3.11Å; W333-Q368 HydrophobicContact CH2-CB 3.78Å; W333-Q368 HydrophobicContact CH2-CG 3.6Å; W333-Q368 HydrophobicContact CZ3-CB 4.18Å; W333-Q368 HydrophobicContact CZ3-CG 4.18Å; W333-C370 VanDerWaalsContact CH2-SG 3.53Å |
| 334 | K | 95.2 | Very high | 90.7 | Very high | 57 Ų | 57 | 80 Ų | 80 | 25% | 0.248 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 158.8 | 172.9 | 72.6 | 174.8 | -159.5 | -179.7 | 0 | 111 | T319 I354 R355 M357 E394 | T319-K334 HydrophobicContact CG2-CB 4.24Å; K334-I354 CarbonylContact O-C 3.43Å; K334-I354 VanDerWaalsContact O-CA 3.31Å; K334-I354 WeakPolarHBondContact O-CA 3.22Å; K334-R355 PolarHBondContact N-O 3.29Å; K334-R355 PolarHBondContact O-N 3.36Å; K334-M357 HydrophobicContact CB-CG 4.33Å; K334-M357 HydrophobicContact CB-SD 4.32Å; K334-M357 HydrophobicContact CD-CE 4.49Å; K334-M357 HydrophobicContact CD-CG 4.26Å; K334-M357 HydrophobicContact CD-SD 4.45Å; K334-M357 HydrophobicContact CG-CG 4.23Å; K334-E394 WeakPolarHBondContact CD-OE1 3.03Å; K334-E394 WeakPolarHBondContact CE-OE1 3.47Å; K334-E394 IonicContact NZ-OE1 2.67Å; K334-E394 PolarHBondContact NZ-OE1 2.78Å |
| 335 | D | 95 | Very high | 90.4 | Very high | 55 Ų | 55 | 84.2 Ų | 84.2 | 29% | 0.294 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 137.2 | 177.9 | -172.5 | 75.1 | 0 | 0 | 0 | 111 | Y311 V315 S337 | Y311-D335 PolarHBondContact OH-OD1 3.47Å; V315-D335 HydrophobicContact CG1-CB 4.05Å; V315-D335 WeakPolarHBondContact O-CB 2.98Å; D335-S337 WeakPolarHBondContact OD1-CB 3.47Å; D335-S337 PolarHBondContact OD1-OG 3.48Å; D335-S337 WeakPolarHBondContact OD2-CA 3.21Å; D335-S337 WeakPolarHBondContact OD2-CB 3.47Å; D335-S337 PolarHBondContact OD2-N 3.1Å; D335-S337 PolarHBondContact OD2-OG 2.99Å |
| 336 | A | 95 | Very high | 90.2 | Very high | 3 Ų | 3 | 81.9 Ų | 81.9 | 3% | 0.025 | 39% | 0.393 | C | S | . | . | trans | -128.8 | 33 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110 | E341 C353 R355 | A336-E341 HydrophobicContact CB-CG 4.3Å; A336-E341 WeakPolarHBondContact O-CG 3.38Å; A336-C353 CarbonylContact C-O 3.58Å; A336-C353 WeakPolarHBondContact CA-O 3.49Å; A336-C353 HydrophobicContact CB-CB 4.32Å; A336-C353 PolarHBondContact N-O 2.84Å; A336-R355 HydrophobicContact CB-CB 4.05Å | ||
| 337 | S | 93.9 | Very high | 90.5 | Very high | 34 Ų | 34 | 77.7 Ų | 77.7 | 24% | 0.238 | 37% | 0.37 | C | S | . | . | trans | -94.2 | -2.3 | 179.1 | -46.6 | 0 | 0 | 0 | 0 | 112.8 | D335 Y352 C353 | D335-S337 WeakPolarHBondContact OD1-CB 3.47Å; D335-S337 PolarHBondContact OD1-OG 3.48Å; D335-S337 WeakPolarHBondContact OD2-CA 3.21Å; D335-S337 WeakPolarHBondContact OD2-CB 3.47Å; D335-S337 PolarHBondContact OD2-N 3.1Å; D335-S337 PolarHBondContact OD2-OG 2.99Å; S337-Y352 VanDerWaalsContact OG-CA 3.28Å; S337-Y352 WeakPolarHBondContact OG-CA 3.08Å; S337-C353 PolarHBondContact N-O 3.35Å; S337-C353 PolarHBondContact OG-N 2.93Å; S337-C353 PolarHBondContact OG-O 3.3Å | ||
| 338 | G | 87.8 | Confident | 90.5 | Very high | 30 Ų | 30 | 78.6 Ų | 78.6 | 31% | 0.309 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -71.9 | 163.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | K340 E341 | G338-K340 PolarHBondContact O-N 2.97Å; G338-E341 PolarHBondContact O-N 3.16Å; G338-E341 VanDerWaalsContact O-N 3.08Å |
| 339 | P | 83.4 | Confident | 90.6 | Very high | 124 Ų | 124 | 71.1 Ų | 71.1 | 81% | 0.805 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -63 | -18.9 | -175.3 | 25.5 | -35.4 | 0 | 0 | 0 | 114.2 | E341 K342 | P339-E341 PolarHBondContact O-N 3.37Å; P339-K342 PolarHBondContact O-N 2.92Å |
| 340 | K | 82.5 | Confident | 90.9 | Very high | 198 Ų | 198 | 66 Ų | 66 | 86% | 0.861 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -62.8 | -29.5 | 176.2 | -66.2 | -176.1 | 178.9 | -179.4 | 0 | 112.7 | G338 K342 | G338-K340 PolarHBondContact O-N 2.97Å; K340-K342 VanDerWaalsContact C-N 3.32Å |
| 341 | E | 85.6 | Confident | 91 | Very high | 38 Ų | 38 | 67.9 Ų | 67.9 | 18% | 0.178 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -83.7 | -10.6 | -177.6 | -59.7 | -68.5 | 158.2 | 0 | 0 | 112.1 | A336 G338 P339 L343 | A336-E341 HydrophobicContact CB-CG 4.3Å; A336-E341 WeakPolarHBondContact O-CG 3.38Å; G338-E341 PolarHBondContact O-N 3.16Å; G338-E341 VanDerWaalsContact O-N 3.08Å; P339-E341 PolarHBondContact O-N 3.37Å; E341-L343 VanDerWaalsContact C-N 3.28Å; E341-L343 HydrophobicContact CB-CD2 3.84Å; E341-L343 HydrophobicContact CB-CG 4.24Å; E341-L343 PolarHBondContact O-N 3.48Å |
| 342 | K | 86.8 | Confident | 91.2 | Very high | 115 Ų | 115 | 69.4 Ų | 69.4 | 50% | 0.5 | 34% | 0.342 | S | S | . | . | trans | 47.8 | 48.1 | 178 | -58.7 | -177.9 | -179.7 | -178.8 | 0 | 112.7 | P339 K340 E344 I345 Y346 | P339-K342 PolarHBondContact O-N 2.92Å; K340-K342 VanDerWaalsContact C-N 3.32Å; K342-E344 PolarHBondContact O-N 2.9Å; K342-I345 HydrophobicContact CB-CD1 4.35Å; K342-I345 HydrophobicContact CD-CD1 4.3Å; K342-I345 PolarHBondContact O-N 2.83Å; K342-Y346 HydrophobicContact CB-CD2 3.94Å; K342-Y346 HydrophobicContact CB-CE2 3.89Å; K342-Y346 HydrophobicContact CD-CE2 4.16Å; K342-Y346 PolarHBondContact O-N 3.2Å; K342-Y346 VanDerWaalsContact O-N 3.15Å | ||
| 343 | L | 88.7 | Confident | 91.3 | Very high | 19 Ų | 19 | 63.7 Ų | 63.7 | 10% | 0.099 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -55.8 | -35.9 | -175.4 | -60.7 | -173.3 | 0 | 0 | 0 | 112.6 | E341 I345 Y346 K347 P348 C353 | E341-L343 VanDerWaalsContact C-N 3.28Å; E341-L343 HydrophobicContact CB-CD2 3.84Å; E341-L343 HydrophobicContact CB-CG 4.24Å; E341-L343 PolarHBondContact O-N 3.48Å; L343-I345 PolarHBondContact O-N 3.25Å; L343-Y346 PolarHBondContact O-N 3.4Å; L343-K347 HydrophobicContact CB-CB 4.44Å; L343-K347 HydrophobicContact CD2-CB 4.14Å; L343-K347 HydrophobicContact CD2-CG 4.26Å; L343-K347 CarbonylContact O-C 3.59Å; L343-K347 WeakPolarHBondContact O-CA 3.41Å; L343-K347 PolarHBondContact O-N 3.46Å; L343-K347 VanDerWaalsContact O-O 3.09Å; L343-P348 VanDerWaalsContact O-N 3.14Å; L343-C353 HydrophobicContact CD1-CB 4.42Å; L343-C353 HydrophobicContact CD2-CB 4.48Å |
| 344 | E | 86.4 | Confident | 91.3 | Very high | 180 Ų | 180 | 63.6 Ų | 63.6 | 84% | 0.841 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -57.1 | -23.5 | 176.2 | -62.9 | 178.3 | -176.3 | 0 | 0 | 114 | K342 | K342-E344 PolarHBondContact O-N 2.9Å |
| 345 | I | 87.1 | Confident | 91.4 | Very high | 91 Ų | 91 | 60.9 Ų | 60.9 | 47% | 0.467 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -96.5 | -54 | 178.5 | -57.2 | 177.7 | 0 | 0 | 0 | 110 | K342 L343 W408 | K342-I345 HydrophobicContact CB-CD1 4.35Å; K342-I345 HydrophobicContact CD-CD1 4.3Å; K342-I345 PolarHBondContact O-N 2.83Å; L343-I345 PolarHBondContact O-N 3.25Å; I345-W408 HydrophobicContact CG2-CH2 4.25Å; I345-W408 HydrophobicContact CG2-CZ3 4.46Å; I345-W408 WeakPolarHBondContact O-CZ2 3.46Å |
| 346 | Y | 88.7 | Confident | 91.4 | Very high | 30 Ų | 30 | 58.5 Ų | 58.5 | 12% | 0.118 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -92.4 | -18 | -168.1 | -57.2 | -55.5 | 0 | 0 | 0 | 114.2 | K342 L343 I405 W408 I409 | K342-Y346 HydrophobicContact CB-CD2 3.94Å; K342-Y346 HydrophobicContact CB-CE2 3.89Å; K342-Y346 HydrophobicContact CD-CE2 4.16Å; K342-Y346 PolarHBondContact O-N 3.2Å; K342-Y346 VanDerWaalsContact O-N 3.15Å; L343-Y346 PolarHBondContact O-N 3.4Å; Y346-I405 HydrophobicContact CD1-CG2 4.39Å; Y346-I405 HydrophobicContact CD2-CD1 4.44Å; Y346-I405 HydrophobicContact CE1-CG2 3.68Å; Y346-I405 HydrophobicContact CE2-CG2 4.01Å; Y346-I405 VanDerWaalsContact CZ-CG2 3.45Å; Y346-I405 WeakPolarHBondContact OH-CG2 3.03Å; Y346-W408 AromaticContact CD1-CD2 3.83Å; Y346-W408 HydrophobicContact CD1-CD2 3.83Å; Y346-W408 AromaticContact CD1-CE3 3.7Å; Y346-W408 HydrophobicContact CD1-CE3 3.7Å; Y346-W408 HydrophobicContact CD1-CG 4.43Å; Y346-W408 HydrophobicContact CD1-CH2 4.33Å; Y346-W408 HydrophobicContact CD1-CZ2 4.4Å; Y346-W408 AromaticContact CD1-CZ3 3.99Å; Y346-W408 HydrophobicContact CD1-CZ3 3.99Å; Y346-W408 HydrophobicContact CE1-CD2 4.36Å; Y346-W408 AromaticContact CE1-CE3 3.79Å; Y346-W408 HydrophobicContact CE1-CE3 3.79Å; Y346-W408 HydrophobicContact CE1-CZ3 4.02Å; Y346-I409 HydrophobicContact CE1-CG1 4.34Å |
| 347 | K | 94.3 | Very high | 91.2 | Very high | 17 Ų | 17 | 60.7 Ų | 60.7 | 7% | 0.074 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -147.1 | 56.2 | -176.4 | -59.4 | -69.7 | 166.2 | -103.4 | 0 | 111.1 | L343 T349 A350 A385 | L343-K347 HydrophobicContact CB-CB 4.44Å; L343-K347 HydrophobicContact CD2-CB 4.14Å; L343-K347 HydrophobicContact CD2-CG 4.26Å; L343-K347 CarbonylContact O-C 3.59Å; L343-K347 WeakPolarHBondContact O-CA 3.41Å; L343-K347 PolarHBondContact O-N 3.46Å; L343-K347 VanDerWaalsContact O-O 3.09Å; K347-T349 PolarHBondContact O-N 3.46Å; K347-A350 HydrophobicContact CB-CB 3.89Å; K347-A350 WeakPolarHBondContact O-CB 3.28Å; K347-A350 PolarHBondContact O-N 3.2Å; K347-A385 WeakPolarHBondContact CD-O 3.35Å; K347-A385 WeakPolarHBondContact CE-O 3.28Å |
| 348 | P | 90.5 | Very high | 91 | Very high | 66 Ų | 66 | 61.3 Ų | 61.3 | 43% | 0.429 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -18.5 | -164.2 | 22.9 | -34.5 | 0 | 0 | 0 | 115.8 | L343 K383 | L343-P348 VanDerWaalsContact O-N 3.14Å; P348-K383 HydrophobicContact CG-CD 4.07Å; P348-K383 HydrophobicContact CG-CG 4.03Å |
| 349 | T | 93.3 | Very high | 90.6 | Very high | 52 Ų | 52 | 63.3 Ų | 63.3 | 32% | 0.319 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -0.5 | 175.9 | 64.9 | 0 | 0 | 0 | 0 | 113.1 | K347 I379 K383 G384 | K347-T349 PolarHBondContact O-N 3.46Å; T349-I379 WeakPolarHBondContact O-CD1 3.35Å; T349-K383 HydrophobicContact CG2-CD 4.19Å; T349-K383 HydrophobicContact CG2-CG 3.72Å; T349-G384 WeakPolarHBondContact OG1-CA 3.27Å; T349-G384 PolarHBondContact OG1-N 3.15Å; T349-G384 VanDerWaalsContact OG1-N 3.13Å |
| 350 | A | 96.8 | Very high | 90.1 | Very high | 13 Ų | 13 | 65 Ų | 65 | 11% | 0.107 | 32% | 0.315 | C | S | . | . | trans | -88.3 | 133.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | K347 C371 I379 | K347-A350 HydrophobicContact CB-CB 3.89Å; K347-A350 WeakPolarHBondContact O-CB 3.28Å; K347-A350 PolarHBondContact O-N 3.2Å; A350-C371 HydrophobicContact CB-CB 3.7Å; A350-I379 HydrophobicContact CB-CD1 3.91Å | ||
| 351 | R | 95.5 | Very high | 89.6 | Confident | 148 Ų | 148 | 63.7 Ų | 63.7 | 56% | 0.558 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -96.8 | -39.6 | 173.7 | -175.3 | 61.9 | -177.6 | 165.4 | 0.9 | 112.1 | Y372 D374 | R351-Y372 PolarHBondContact N-O 3.33Å; R351-D374 WeakPolarHBondContact CB-OD1 3.5Å; R351-D374 WeakPolarHBondContact CD-OD1 3.27Å; R351-D374 WeakPolarHBondContact CG-OD1 3.46Å |
| 352 | Y | 96.8 | Very high | 89.1 | Confident | 65 Ų | 65 | 63.4 Ų | 63.4 | 26% | 0.255 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 142.4 | -179.6 | -48.5 | -79.1 | 0 | 0 | 0 | 109.2 | Y311 S337 C371 Y372 M376 | Y311-Y352 HydrophobicContact CD2-CG 4.44Å; Y311-Y352 HydrophobicContact CE2-CG 4.43Å; S337-Y352 VanDerWaalsContact OG-CA 3.28Å; S337-Y352 WeakPolarHBondContact OG-CA 3.08Å; Y352-C371 CarbonylContact O-C 2.83Å; Y352-C371 WeakPolarHBondContact O-CA 3.15Å; Y352-Y372 PolarHBondContact N-O 2.77Å; Y352-Y372 PolarHBondContact O-N 3.12Å; Y352-M376 HydrophobicContact CD2-CG 4.21Å; Y352-M376 HydrophobicContact CE2-CE 4.37Å; Y352-M376 HydrophobicContact CE2-CG 4.03Å |
| 353 | C | 97.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 151.1 | 167.9 | -57.5 | 0 | 0 | 0 | 0 | 109.4 | A336 S337 L343 C370 C371 | A336-C353 CarbonylContact C-O 3.58Å; A336-C353 WeakPolarHBondContact CA-O 3.49Å; A336-C353 HydrophobicContact CB-CB 4.32Å; A336-C353 PolarHBondContact N-O 2.84Å; S337-C353 PolarHBondContact N-O 3.35Å; S337-C353 PolarHBondContact OG-N 2.93Å; S337-C353 PolarHBondContact OG-O 3.3Å; L343-C353 HydrophobicContact CD1-CB 4.42Å; L343-C353 HydrophobicContact CD2-CB 4.48Å; C353-C370 CarbonylContact C-O 3.53Å; C353-C370 WeakPolarHBondContact CA-O 3.43Å; C353-C370 WeakPolarHBondContact CB-O 3.15Å; C353-C371 HydrophobicContact CB-CB 4.16Å; C353-C371 WeakPolarHBondContact CB-SG 3.43Å; C353-C371 WeakPolarHBondContact SG-CB 3.44Å; C353-C371 CovalentContact SG-SG 2.06Å; C353-C371 PolarHBondContact SG-SG 3.19Å |
| 354 | I | 97.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 154.6 | 173.5 | 67.3 | -176.3 | 0 | 0 | 0 | 109.1 | P308 Y311 P312 V315 W333 K334 H369 C370 Y372 | P308-I354 HydrophobicContact CG-CD1 4.43Å; Y311-I354 HydrophobicContact CD2-CG2 3.68Å; Y311-I354 HydrophobicContact CE2-CG2 3.28Å; P312-I354 HydrophobicContact CG-CD1 4.22Å; V315-I354 HydrophobicContact CB-CG2 4.37Å; V315-I354 HydrophobicContact CG1-CB 4.38Å; V315-I354 HydrophobicContact CG1-CG2 3.76Å; W333-I354 HydrophobicContact CD2-CD1 3.96Å; W333-I354 HydrophobicContact CD2-CG1 4.33Å; W333-I354 HydrophobicContact CE3-CB 4.1Å; W333-I354 HydrophobicContact CE3-CD1 3.56Å; W333-I354 HydrophobicContact CE3-CG1 3.47Å; W333-I354 VanDerWaalsContact CE3-CG1 3.47Å; W333-I354 HydrophobicContact CG-CD1 4.44Å; W333-I354 HydrophobicContact CZ3-CD1 3.96Å; W333-I354 HydrophobicContact CZ3-CG1 3.73Å; K334-I354 CarbonylContact O-C 3.43Å; K334-I354 VanDerWaalsContact O-CA 3.31Å; K334-I354 WeakPolarHBondContact O-CA 3.22Å; I354-H369 WeakPolarHBondContact O-CA 3.19Å; I354-C370 HydrophobicContact CD1-CB 4.42Å; I354-C370 HydrophobicContact CG1-CB 3.94Å; I354-C370 PolarHBondContact N-O 3.38Å; I354-C370 PolarHBondContact O-N 3.44Å; I354-Y372 HydrophobicContact CD1-CE2 3.87Å; I354-Y372 WeakPolarHBondContact CD1-OH 3.31Å; I354-Y372 HydrophobicContact CG1-CE2 3.88Å; I354-Y372 HydrophobicContact CG2-CE2 4.35Å |
| 355 | R | 96.4 | Very high | 88.6 | Confident | 1 Ų | 1 | 55 Ų | 55 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 136.1 | 176.1 | -169.5 | 169.9 | 55.8 | 64.6 | -18.7 | 110.9 | W333 K334 A336 A367 Q368 S392 T393 E394 | W333-R355 WeakPolarHBondContact CA-O 3.11Å; K334-R355 PolarHBondContact N-O 3.29Å; K334-R355 PolarHBondContact O-N 3.36Å; A336-R355 HydrophobicContact CB-CB 4.05Å; R355-A367 HydrophobicContact CG-CB 3.76Å; R355-Q368 CarbonylContact C-O 3.34Å; R355-Q368 VanDerWaalsContact CA-O 3.27Å; R355-Q368 WeakPolarHBondContact CA-O 3.48Å; R355-Q368 WeakPolarHBondContact CG-O 3.45Å; R355-S392 PolarHBondContact NH1-OG 3.34Å; R355-S392 VanDerWaalsContact NH1-OG 3.14Å; R355-T393 PolarHBondContact NE-OG1 2.87Å; R355-T393 VanDerWaalsContact NE-OG1 3.14Å; R355-T393 PolarHBondContact NH2-OG1 3.11Å; R355-E394 IonicContact CZ-OE1 3.83Å; R355-E394 VanDerWaalsContact CZ-OE1 3.32Å; R355-E394 IonicContact NH1-OE1 3.84Å; R355-E394 PolarHBondContact NH1-OE1 3.12Å; R355-E394 IonicContact NH2-OE1 3.06Å; R355-E394 PolarHBondContact NH2-OE1 2.93Å |
| 356 | S | 95.6 | Very high | 88.9 | Confident | 5 Ų | 5 | 50.8 Ų | 50.8 | 4% | 0.035 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 142.8 | 171.5 | 73.9 | 0 | 0 | 0 | 0 | 109.5 | R332 A367 Q368 | R332-S356 CarbonylContact O-C 3.58Å; R332-S356 WeakPolarHBondContact O-CA 3.27Å; S356-A367 WeakPolarHBondContact O-CB 3.45Å; S356-Q368 PolarHBondContact N-O 3.24Å; S356-Q368 PolarHBondContact OG-N 2.88Å |
| 357 | M | 91.6 | Very high | 89.2 | Confident | 49 Ų | 49 | 49.3 Ų | 49.3 | 24% | 0.241 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -88 | 151 | 177 | -62.2 | -166.9 | 72.4 | 0 | 0 | 110.6 | T319 R332 K334 | T319-M357 HydrophobicContact CG2-CE 4.45Å; T319-M357 HydrophobicContact CG2-SD 3.48Å; T319-M357 WeakPolarHBondContact CG2-SD 3.34Å; R332-M357 HydrophobicContact CB-CB 4.23Å; R332-M357 HydrophobicContact CB-CG 4.48Å; R332-M357 HydrophobicContact CG-CB 4.43Å; R332-M357 HydrophobicContact CG-CG 4.22Å; R332-M357 HydrophobicContact CG-SD 3.74Å; R332-M357 PolarHBondContact O-N 2.73Å; K334-M357 HydrophobicContact CB-CG 4.33Å; K334-M357 HydrophobicContact CB-SD 4.32Å; K334-M357 HydrophobicContact CD-CE 4.49Å; K334-M357 HydrophobicContact CD-CG 4.26Å; K334-M357 HydrophobicContact CD-SD 4.45Å; K334-M357 HydrophobicContact CG-CG 4.23Å |
| 358 | L | 88.3 | Confident | 89.3 | Confident | 46 Ų | 46 | 48.7 Ų | 48.7 | 24% | 0.241 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 137.2 | 170.8 | -69.1 | 169.5 | 0 | 0 | 0 | 109.4 | T364 A366 F395 | L358-T364 WeakPolarHBondContact CD2-O 3.44Å; L358-A366 WeakPolarHBondContact CD2-O 3.44Å; L358-F395 HydrophobicContact CD1-CB 4.03Å |
| 359 | T | 79.8 | Confident | 89.6 | Confident | 72 Ų | 72 | 46 Ų | 46 | 44% | 0.442 | 24% | 0.235 | S | C | . | . | trans | -112 | 164.4 | 172.5 | 65.4 | 0 | 0 | 0 | 0 | 110 | E361 S362 | T359-E361 PolarHBondContact O-N 3.13Å; T359-S362 PolarHBondContact N-OG 2.7Å; T359-S362 WeakPolarHBondContact O-CB 3.47Å; T359-S362 PolarHBondContact O-N 2.66Å; T359-S362 PolarHBondContact O-OG 3.01Å; T359-S362 PolarHBondContact OG1-N 2.77Å; T359-S362 PolarHBondContact OG1-OG 3.32Å | ||
| 360 | L | 72.8 | Confident | 89.8 | Confident | 160 Ų | 160 | 43.5 Ų | 43.5 | 84% | 0.838 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -25.3 | 173.6 | -75.2 | 156.1 | 0 | 0 | 0 | 112.8 | S362 | L360-S362 VanDerWaalsContact C-N 3.32Š|
| 361 | E | 72.4 | Confident | 89.9 | Confident | 171 Ų | 171 | 42.9 Ų | 42.9 | 80% | 0.799 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -7.4 | 177.6 | -60.9 | 177 | 179.6 | 0 | 0 | 112.7 | T359 T363 | T359-E361 PolarHBondContact O-N 3.13Å; E361-T363 PolarHBondContact O-N 2.93Å |
| 362 | S | 75.3 | Confident | 90 | Very high | 32 Ų | 32 | 35.9 Ų | 35.9 | 22% | 0.224 | 19% | 0.188 | C | C | . | . | trans | -65.9 | 122.2 | -179.7 | -63.3 | 0 | 0 | 0 | 0 | 110.1 | T359 L360 T364 | T359-S362 PolarHBondContact N-OG 2.7Å; T359-S362 WeakPolarHBondContact O-CB 3.47Å; T359-S362 PolarHBondContact O-N 2.66Å; T359-S362 PolarHBondContact O-OG 3.01Å; T359-S362 PolarHBondContact OG1-N 2.77Å; T359-S362 PolarHBondContact OG1-OG 3.32Å; L360-S362 VanDerWaalsContact C-N 3.32Å; S362-T364 VanDerWaalsContact C-N 3.3Å | ||
| 363 | T | 78.1 | Confident | 90 | Very high | 68 Ų | 68 | 34.3 Ų | 34.3 | 42% | 0.417 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -87.3 | -2.4 | -178.8 | 36.7 | 0 | 0 | 0 | 0 | 113.2 | K299 D303 E361 | K299-T363 WeakPolarHBondContact CE-O 3.29Å; K299-T363 PolarHBondContact NZ-O 3.31Å; D303-T363 PolarHBondContact OD1-OG1 2.82Å; D303-T363 WeakPolarHBondContact OD2-CB 3.18Å; D303-T363 PolarHBondContact OD2-OG1 2.78Å; E361-T363 PolarHBondContact O-N 2.93Å |
| 364 | T | 85.8 | Confident | 89.9 | Confident | 12 Ų | 12 | 40.4 Ų | 40.4 | 7% | 0.074 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -136.9 | 161.6 | 174.6 | 64.6 | 0 | 0 | 0 | 0 | 110.4 | Y296 K299 V300 D303 L358 S362 | Y296-T364 HydrophobicContact CE2-CG2 4.12Å; K299-T364 HydrophobicContact CB-CG2 4.36Å; K299-T364 HydrophobicContact CD-CG2 3.85Å; K299-T364 HydrophobicContact CG-CG2 3.73Å; V300-T364 HydrophobicContact CG2-CG2 4.03Å; D303-T364 WeakPolarHBondContact OD2-CG2 3.47Å; L358-T364 WeakPolarHBondContact CD2-O 3.44Å; S362-T364 VanDerWaalsContact C-N 3.3Å |
| 365 | L | 88 | Confident | 89.9 | Confident | 56 Ų | 56 | 42.9 Ų | 42.9 | 29% | 0.293 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -85.6 | 2.2 | 171.8 | -61.2 | 177.2 | 0 | 0 | 0 | 112.7 | L390 I391 S392 F395 | L365-L390 CarbonylContact C-O 3.51Å; L365-I391 HydrophobicContact CB-CD1 4.07Å; L365-I391 HydrophobicContact CD1-CD1 4.16Å; L365-S392 PolarHBondContact O-N 3.39Å; L365-F395 HydrophobicContact CD1-CD1 3.97Å; L365-F395 HydrophobicContact CD1-CE1 3.64Å; L365-F395 HydrophobicContact CD1-CE2 4.34Å; L365-F395 HydrophobicContact CD1-CG 4.45Å; L365-F395 HydrophobicContact CD1-CZ 3.84Å; L365-F395 HydrophobicContact CD2-CD1 4.4Å; L365-F395 HydrophobicContact CD2-CD2 3.76Å; L365-F395 HydrophobicContact CD2-CE1 4.47Å; L365-F395 HydrophobicContact CD2-CE2 3.83Å; L365-F395 HydrophobicContact CD2-CG 4.05Å; L365-F395 HydrophobicContact CD2-CZ 4.2Å |
| 366 | A | 92.1 | Very high | 89.9 | Confident | 3 Ų | 3 | 46.2 Ų | 46.2 | 3% | 0.025 | 26% | 0.259 | C | S | . | . | trans | -76.2 | 154.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | V300 L304 L358 N389 L390 | V300-A366 HydrophobicContact CB-CB 4.32Å; V300-A366 HydrophobicContact CG1-CB 3.74Å; V300-A366 HydrophobicContact CG2-CB 3.64Å; L304-A366 HydrophobicContact CD1-CB 4.22Å; L304-A366 HydrophobicContact CD2-CB 4.26Å; L304-A366 HydrophobicContact CG-CB 4.46Å; L358-A366 WeakPolarHBondContact CD2-O 3.44Å; A366-N389 CarbonylContact C-O 3.46Å; A366-N389 WeakPolarHBondContact CA-O 3.48Å; A366-N389 VanDerWaalsContact CB-O 3.23Å; A366-N389 WeakPolarHBondContact CB-O 3.36Å; A366-L390 VanDerWaalsContact CA-O 3.24Å; A366-L390 WeakPolarHBondContact CA-O 3.4Å; A366-L390 PolarHBondContact N-O 3.49Å | ||
| 367 | A | 94.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -134.2 | 137 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | R355 S356 N389 | R355-A367 HydrophobicContact CG-CB 3.76Å; S356-A367 WeakPolarHBondContact O-CB 3.45Å; A367-N389 PolarHBondContact N-O 3.3Å; A367-N389 PolarHBondContact O-N 3.12Å |
| 368 | Q | 96.6 | Very high | 90.4 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 1% | 0.014 | 28% | 0.275 | C | S | . | . | trans | -72 | 133.6 | 171.3 | -173.7 | 58.8 | 57.7 | 0 | 0 | 108.6 | L304 P305 W333 R355 S356 N425 | L304-Q368 HydrophobicContact CB-CB 4.32Å; L304-Q368 HydrophobicContact CD1-CB 4.26Å; L304-Q368 HydrophobicContact CD2-CB 4.46Å; P305-Q368 HydrophobicContact CG-CB 4.02Å; P305-Q368 WeakPolarHBondContact O-CG 3.23Å; W333-Q368 HydrophobicContact CH2-CB 3.78Å; W333-Q368 HydrophobicContact CH2-CG 3.6Å; W333-Q368 HydrophobicContact CZ3-CB 4.18Å; W333-Q368 HydrophobicContact CZ3-CG 4.18Å; R355-Q368 CarbonylContact C-O 3.34Å; R355-Q368 VanDerWaalsContact CA-O 3.27Å; R355-Q368 WeakPolarHBondContact CA-O 3.48Å; R355-Q368 WeakPolarHBondContact CG-O 3.45Å; S356-Q368 PolarHBondContact N-O 3.24Å; S356-Q368 PolarHBondContact OG-N 2.88Å; Q368-N425 VanDerWaalsContact NE2-CB 3.32Å; Q368-N425 PolarHBondContact OE1-ND2 3.21Å | ||
| 369 | H | 96.9 | Very high | 90.8 | Very high | 9 Ų | 9 | 48.4 Ų | 48.4 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 126 | 174.5 | -175.7 | 98.7 | 0 | 0 | 0 | 108.4 | I354 C371 G386 T387 N389 | I354-H369 WeakPolarHBondContact O-CA 3.19Å; H369-C371 PolarHBondContact NE2-SG 2.97Å; H369-G386 CarbonylContact O-C 3.56Å; H369-T387 WeakPolarHBondContact CB-O 3.14Å; H369-N389 WeakPolarHBondContact CB-OD1 3.37Å |
| 370 | C | 97.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.007 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 135.2 | -175.7 | -53.4 | 0 | 0 | 0 | 0 | 108 | C307 W333 C353 I354 Y372 L378 | C307-C370 WeakPolarHBondContact CA-SG 3.48Å; C307-C370 HydrophobicContact CB-CB 3.82Å; C307-C370 WeakPolarHBondContact CB-SG 3.47Å; C307-C370 WeakPolarHBondContact SG-CB 3.39Å; C307-C370 CovalentContact SG-SG 2.03Å; C307-C370 PolarHBondContact SG-SG 2.85Å; W333-C370 VanDerWaalsContact CH2-SG 3.53Å; C353-C370 CarbonylContact C-O 3.53Å; C353-C370 WeakPolarHBondContact CA-O 3.43Å; C353-C370 WeakPolarHBondContact CB-O 3.15Å; I354-C370 HydrophobicContact CD1-CB 4.42Å; I354-C370 HydrophobicContact CG1-CB 3.94Å; I354-C370 PolarHBondContact N-O 3.38Å; I354-C370 PolarHBondContact O-N 3.44Å; C370-Y372 HydrophobicContact CB-CE2 4.02Å; C370-L378 HydrophobicContact CB-CD1 4.03Å |
| 371 | C | 98.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 148.2 | -178.9 | -72.1 | 0 | 0 | 0 | 0 | 110.8 | A350 Y352 C353 H369 I379 G384 | A350-C371 HydrophobicContact CB-CB 3.7Å; Y352-C371 CarbonylContact O-C 2.83Å; Y352-C371 WeakPolarHBondContact O-CA 3.15Å; C353-C371 HydrophobicContact CB-CB 4.16Å; C353-C371 WeakPolarHBondContact CB-SG 3.43Å; C353-C371 WeakPolarHBondContact SG-CB 3.44Å; C353-C371 CovalentContact SG-SG 2.06Å; C353-C371 PolarHBondContact SG-SG 3.19Å; H369-C371 PolarHBondContact NE2-SG 2.97Å; C371-I379 PolarHBondContact O-N 2.96Å; C371-G384 WeakPolarHBondContact CB-O 3.01Å |
| 372 | Y | 98.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 147.9 | -170.5 | -56.3 | -96.5 | 0 | 0 | 0 | 110 | P308 S310 Y311 R351 Y352 I354 C370 M376 K377 L378 | P308-Y372 VanDerWaalsContact O-CE1 3.27Å; P308-Y372 WeakPolarHBondContact O-CE1 3.22Å; P308-Y372 PolarHBondContact O-OH 3.14Å; S310-Y372 VanDerWaalsContact C-CE1 3.42Å; Y311-Y372 AromaticContact CD2-CD2 3.68Å; Y311-Y372 HydrophobicContact CD2-CD2 3.68Å; Y311-Y372 AromaticContact CD2-CE2 3.96Å; Y311-Y372 HydrophobicContact CD2-CE2 3.96Å; Y311-Y372 HydrophobicContact CD2-CG 4.22Å; Y311-Y372 HydrophobicContact CG-CD2 4.41Å; Y311-Y372 VanDerWaalsContact N-CE1 3.3Å; R351-Y372 PolarHBondContact N-O 3.33Å; Y352-Y372 PolarHBondContact N-O 2.77Å; Y352-Y372 PolarHBondContact O-N 3.12Å; I354-Y372 HydrophobicContact CD1-CE2 3.87Å; I354-Y372 WeakPolarHBondContact CD1-OH 3.31Å; I354-Y372 HydrophobicContact CG1-CE2 3.88Å; I354-Y372 HydrophobicContact CG2-CE2 4.35Å; C370-Y372 HydrophobicContact CB-CE2 4.02Å; Y372-M376 WeakPolarHBondContact CD1-O 3.49Å; Y372-K377 CarbonylContact C-O 3.48Å; Y372-K377 WeakPolarHBondContact CA-O 2.96Å; Y372-L378 HydrophobicContact CD1-CB 4.23Å; Y372-L378 HydrophobicContact CE1-CB 3.99Å; Y372-L378 HydrophobicContact CE1-CD1 4.1Å |
| 373 | D | 96.9 | Very high | 94.7 | Very high | 33 Ų | 33 | 33.1 Ų | 33.1 | 18% | 0.176 | 18% | 0.179 | C | C | . | . | trans | -75.1 | -179.2 | 174.4 | 64.8 | 17.8 | 0 | 0 | 0 | 112.1 | G375 M376 K377 I379 N433 | D373-G375 PolarHBondContact O-N 2.95Å; D373-G375 VanDerWaalsContact O-N 3.17Å; D373-G375 VanDerWaalsContact OD1-CA 3.22Å; D373-G375 WeakPolarHBondContact OD1-CA 3.42Å; D373-G375 PolarHBondContact OD1-N 2.03Å; D373-M376 PolarHBondContact O-N 2.85Å; D373-M376 PolarHBondContact OD1-N 2.86Å; D373-M376 VanDerWaalsContact OD1-N 3.11Å; D373-K377 PolarHBondContact N-O 2.84Å; D373-K377 PolarHBondContact OD1-N 3.03Å; D373-I379 HydrophobicContact CB-CD1 4.32Å; D373-I379 HydrophobicContact CB-CG1 4.16Å; D373-N433 PolarHBondContact OD2-ND2 3.35Å | ||
| 374 | D | 96.1 | Very high | 95.5 | Very high | 128 Ų | 128 | 29.9 Ų | 29.9 | 68% | 0.684 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -26 | 176 | -67.4 | -41.7 | 0 | 0 | 0 | 113 | R351 M376 | R351-D374 WeakPolarHBondContact CB-OD1 3.5Å; R351-D374 WeakPolarHBondContact CD-OD1 3.27Å; R351-D374 WeakPolarHBondContact CG-OD1 3.46Å; D374-M376 VanDerWaalsContact C-N 3.27Å; D374-M376 PolarHBondContact O-N 2.94Å |
| 375 | G | 96.8 | Very high | 96 | Very high | 52 Ų | 52 | 29.3 Ų | 29.3 | 54% | 0.536 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 10.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | D373 K377 | D373-G375 PolarHBondContact O-N 2.95Å; D373-G375 VanDerWaalsContact O-N 3.17Å; D373-G375 VanDerWaalsContact OD1-CA 3.22Å; D373-G375 WeakPolarHBondContact OD1-CA 3.42Å; D373-G375 PolarHBondContact OD1-N 2.03Å; G375-K377 PolarHBondContact O-N 2.97Å |
| 376 | M | 97.3 | Very high | 96.4 | Very high | 70 Ų | 70 | 26.7 Ų | 26.7 | 35% | 0.345 | 14% | 0.143 | S | C | . | . | S | Bend | trans | 60.6 | 22.6 | -178.2 | -65.2 | -179.3 | 179.2 | 0 | 0 | 113.9 | S310 Y311 T313 Y352 Y372 D373 D374 | S310-M376 WeakPolarHBondContact CA-O 3.44Å; Y311-M376 HydrophobicContact CD1-SD 4.49Å; Y311-M376 PolarHBondContact N-O 3.3Å; T313-M376 HydrophobicContact CG2-CE 4.25Å; T313-M376 HydrophobicContact CG2-SD 3.88Å; Y352-M376 HydrophobicContact CD2-CG 4.21Å; Y352-M376 HydrophobicContact CE2-CE 4.37Å; Y352-M376 HydrophobicContact CE2-CG 4.03Å; Y372-M376 WeakPolarHBondContact CD1-O 3.49Å; D373-M376 PolarHBondContact O-N 2.85Å; D373-M376 PolarHBondContact OD1-N 2.86Å; D373-M376 VanDerWaalsContact OD1-N 3.11Å; D374-M376 VanDerWaalsContact C-N 3.27Å; D374-M376 PolarHBondContact O-N 2.94Å |
| 377 | K | 97.9 | Very high | 96.5 | Very high | 137 Ų | 137 | 26.9 Ų | 26.9 | 60% | 0.596 | 14% | 0.143 | S | C | * | . | B | Isolated β-bridge | trans | -96.9 | 139.8 | 176.4 | -64.6 | 179.7 | -177.1 | 177.7 | 0 | 110.6 | Y372 D373 G375 I379 | Y372-K377 CarbonylContact C-O 3.48Å; Y372-K377 WeakPolarHBondContact CA-O 2.96Å; D373-K377 PolarHBondContact N-O 2.84Å; D373-K377 PolarHBondContact OD1-N 3.03Å; G375-K377 PolarHBondContact O-N 2.97Å; K377-I379 PolarHBondContact O-N 2.93Å |
| 378 | L | 98.3 | Very high | 96.5 | Very high | 5 Ų | 5 | 27.9 Ų | 27.9 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | B | Isolated β-bridge | trans | -56.4 | 129.3 | 179.1 | -178.7 | 66.6 | 0 | 0 | 0 | 109.9 | C307 C309 C370 Y372 T380 C430 N433 | C307-L378 HydrophobicContact CB-CD1 3.69Å; C307-L378 HydrophobicContact CB-CD2 3.63Å; C307-L378 HydrophobicContact CB-CG 4.34Å; C309-L378 PolarHBondContact O-N 3.29Å; C370-L378 HydrophobicContact CB-CD1 4.03Å; Y372-L378 HydrophobicContact CD1-CB 4.23Å; Y372-L378 HydrophobicContact CE1-CB 3.99Å; Y372-L378 HydrophobicContact CE1-CD1 4.1Å; L378-T380 HydrophobicContact CB-CG2 4.42Å; L378-T380 HydrophobicContact CD2-CG2 3.83Å; L378-T380 HydrophobicContact CG-CG2 3.95Å; L378-T380 PolarHBondContact O-N 3.13Å; L378-C430 HydrophobicContact CD2-CB 4.17Å; L378-N433 VanDerWaalsContact O-CB 3.27Å; L378-N433 WeakPolarHBondContact O-CB 3.34Å; L378-N433 PolarHBondContact O-ND2 2.93Å; L378-N433 VanDerWaalsContact O-ND2 3.1Å |
| 379 | I | 97.9 | Very high | 96.4 | Very high | 5 Ų | 5 | 28.1 Ų | 28.1 | 3% | 0.026 | 15% | 0.151 | C | C | . | . | trans | -84.7 | 101.6 | 170.5 | -58.7 | 170 | 0 | 0 | 0 | 106.6 | T349 A350 C371 D373 K377 R381 A385 | T349-I379 WeakPolarHBondContact O-CD1 3.35Å; A350-I379 HydrophobicContact CB-CD1 3.91Å; C371-I379 PolarHBondContact O-N 2.96Å; D373-I379 HydrophobicContact CB-CD1 4.32Å; D373-I379 HydrophobicContact CB-CG1 4.16Å; K377-I379 PolarHBondContact O-N 2.93Å; I379-R381 WeakPolarHBondContact CG2-O 3.47Å; I379-A385 HydrophobicContact CG2-CB 3.98Å | ||
| 380 | T | 97.1 | Very high | 96.1 | Very high | 14 Ų | 14 | 28 Ų | 28 | 9% | 0.086 | 15% | 0.151 | C | C | . | . | trans | -84.7 | -17.4 | -172.6 | 50.1 | 0 | 0 | 0 | 0 | 112.8 | L378 N426 C430 P431 E432 N433 | L378-T380 HydrophobicContact CB-CG2 4.42Å; L378-T380 HydrophobicContact CD2-CG2 3.83Å; L378-T380 HydrophobicContact CG-CG2 3.95Å; L378-T380 PolarHBondContact O-N 3.13Å; T380-N426 HydrophobicContact CG2-CB 4.11Å; T380-C430 HydrophobicContact CG2-CB 4.04Å; T380-P431 PolarHBondContact OG1-O 3.06Å; T380-E432 WeakPolarHBondContact OG1-CA 3.39Å; T380-N433 PolarHBondContact N-O 3.31Å; T380-N433 PolarHBondContact OG1-N 3.25Å; T380-N433 PolarHBondContact OG1-O 3.41Å | ||
| 381 | R | 95.6 | Very high | 95.6 | Very high | 44 Ų | 44 | 28.9 Ų | 28.9 | 17% | 0.166 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -154.8 | 172.5 | 178.7 | 61.3 | -174.1 | -179.5 | -175.1 | 2.7 | 111.4 | I379 E432 N433 P434 D436 Y439 | I379-R381 WeakPolarHBondContact CG2-O 3.47Å; R381-E432 IonicContact CZ-OE2 2.81Å; R381-E432 VanDerWaalsContact CZ-OE2 3.26Å; R381-E432 IonicContact NH1-OE1 3.45Å; R381-E432 IonicContact NH1-OE2 2.76Å; R381-E432 PolarHBondContact NH1-OE2 2.85Å; R381-E432 IonicContact NH2-OE2 3.26Å; R381-E432 PolarHBondContact NH2-OE2 3.11Å; R381-N433 PolarHBondContact N-O 3Å; R381-N433 VanDerWaalsContact N-O 3.15Å; R381-P434 PolarHBondContact NE-O 3.43Å; R381-P434 PolarHBondContact NH2-O 2.96Å; R381-P434 WeakPolarHBondContact O-CD 3.39Å; R381-D436 IonicContact CZ-OD1 3.32Å; R381-D436 VanDerWaalsContact CZ-OD1 3.32Å; R381-D436 IonicContact NH1-OD1 3.91Å; R381-D436 PolarHBondContact NH1-OD1 3.3Å; R381-D436 VanDerWaalsContact NH1-OD1 3.15Å; R381-D436 IonicContact NH2-OD1 2.77Å; R381-D436 PolarHBondContact NH2-OD1 3.49Å; R381-Y439 HydrophobicContact CB-CD2 4.09Å; R381-Y439 HydrophobicContact CB-CE2 3.91Å; R381-Y439 HydrophobicContact CG-CD2 3.7Å; R381-Y439 HydrophobicContact CG-CE2 4.04Å; R381-Y439 HydrophobicContact CG-CG 4.42Å |
| 382 | G | 94.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 88.1 | -171.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | G384 A385 N419 | G382-G384 PolarHBondContact O-N 3.38Å; G382-A385 WeakPolarHBondContact O-CB 3.39Å; G382-A385 PolarHBondContact O-N 3.21Å; G382-N419 PolarHBondContact O-ND2 3.39Å |
| 383 | K | 93.5 | Very high | 94.6 | Very high | 54 Ų | 54 | 30.5 Ų | 30.5 | 24% | 0.235 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -22.6 | -169.4 | 66.2 | -170.8 | 174.6 | -171.1 | 0 | 115.3 | P348 T349 W415 Q442 E445 | P348-K383 HydrophobicContact CG-CD 4.07Å; P348-K383 HydrophobicContact CG-CG 4.03Å; T349-K383 HydrophobicContact CG2-CD 4.19Å; T349-K383 HydrophobicContact CG2-CG 3.72Å; K383-W415 HydrophobicContact CB-CB 4.46Å; K383-W415 VanDerWaalsContact CB-CD1 3.44Å; K383-W415 HydrophobicContact CB-CD2 4.03Å; K383-W415 HydrophobicContact CB-CG 3.71Å; K383-Q442 HydrophobicContact CD-CG 4.23Å; K383-Q442 HydrophobicContact CG-CG 4.43Å; K383-Q442 VanDerWaalsContact N-OE1 3.15Å; K383-E445 IonicContact NZ-OE2 3.01Å; K383-E445 PolarHBondContact NZ-OE2 3.46Å |
| 384 | G | 95.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 0.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | T349 C371 G382 G386 | T349-G384 WeakPolarHBondContact OG1-CA 3.27Å; T349-G384 PolarHBondContact OG1-N 3.15Å; T349-G384 VanDerWaalsContact OG1-N 3.13Å; C371-G384 WeakPolarHBondContact CB-O 3.01Å; G382-G384 PolarHBondContact O-N 3.38Å; G384-G386 PolarHBondContact O-N 2.03Å |
| 385 | A | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -67.8 | 133.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | K347 I379 G382 P424 | K347-A385 WeakPolarHBondContact CD-O 3.35Å; K347-A385 WeakPolarHBondContact CE-O 3.28Å; I379-A385 HydrophobicContact CG2-CB 3.98Å; G382-A385 WeakPolarHBondContact O-CB 3.39Å; G382-A385 PolarHBondContact O-N 3.21Å; A385-P424 HydrophobicContact CB-CB 3.81Å; A385-P424 HydrophobicContact CB-CG 3.48Å; A385-P424 VanDerWaalsContact CB-CG 3.48Å | ||
| 386 | G | 95.8 | Very high | 92.7 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | trans | -73.4 | 135.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | H369 G384 P424 | H369-G386 CarbonylContact O-C 3.56Å; G384-G386 PolarHBondContact O-N 2.03Å; G386-P424 WeakPolarHBondContact O-CA 3.06Å; G386-P424 WeakPolarHBondContact O-CB 3.23Å | ||
| 387 | T | 95.1 | Very high | 92 | Very high | 7 Ų | 7 | 29.9 Ų | 29.9 | 4% | 0.043 | 15% | 0.154 | C | C | . | . | trans | -117.3 | 143.5 | 178.5 | 53.3 | 0 | 0 | 0 | 0 | 109.6 | H369 N389 Y418 R422 P424 | H369-T387 WeakPolarHBondContact CB-O 3.14Å; T387-N389 PolarHBondContact O-N 3.43Å; T387-N389 PolarHBondContact O-OD1 2.83Å; T387-Y418 HydrophobicContact CG2-CD1 4.49Å; T387-Y418 HydrophobicContact CG2-CE1 3.93Å; T387-R422 HydrophobicContact CG2-CB 4.37Å; T387-R422 WeakPolarHBondContact CG2-O 3.24Å; T387-P424 HydrophobicContact CG2-CG 4.26Å | ||
| 388 | P | 94.6 | Very high | 91.2 | Very high | 21 Ų | 21 | 29.3 Ų | 29.3 | 14% | 0.136 | 16% | 0.158 | C | C | . | . | trans | -60.7 | 135.2 | -179.7 | 25.7 | -33.6 | 0 | 0 | 0 | 111.4 | L304 P423 | L304-P388 HydrophobicContact CD1-CB 3.71Å; P388-P423 WeakPolarHBondContact CD-O 3.26Å | ||
| 389 | N | 93.8 | Very high | 90.4 | Very high | 8 Ų | 8 | 32.6 Ų | 32.6 | 4% | 0.043 | 18% | 0.175 | C | C | . | . | B | Isolated β-bridge | trans | -84.3 | 125.7 | 174.1 | -58.7 | 47.5 | 0 | 0 | 0 | 107.9 | A366 A367 H369 T387 I391 H400 | A366-N389 CarbonylContact C-O 3.46Å; A366-N389 WeakPolarHBondContact CA-O 3.48Å; A366-N389 VanDerWaalsContact CB-O 3.23Å; A366-N389 WeakPolarHBondContact CB-O 3.36Å; A367-N389 PolarHBondContact N-O 3.3Å; A367-N389 PolarHBondContact O-N 3.12Å; H369-N389 WeakPolarHBondContact CB-OD1 3.37Å; T387-N389 PolarHBondContact O-N 3.43Å; T387-N389 PolarHBondContact O-OD1 2.83Å; N389-I391 PolarHBondContact O-N 3.12Å; N389-H400 PolarHBondContact ND2-CE1 2.97Å; N389-H400 PolarHBondContact ND2-ND1 3.17Å; N389-H400 VanDerWaalsContact ND2-ND1 3.11Å |
| 390 | L | 90.8 | Very high | 89.8 | Confident | 5 Ų | 5 | 33.1 Ų | 33.1 | 3% | 0.026 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -69.8 | -27.6 | 172.1 | -69.4 | -156.6 | 0 | 0 | 0 | 112.4 | L293 Y296 M297 V300 L365 A366 V403 D404 | L293-L390 HydrophobicContact CD1-CD1 4.33Å; Y296-L390 HydrophobicContact CD1-CD1 4.05Å; Y296-L390 HydrophobicContact CD1-CD2 4.35Å; Y296-L390 HydrophobicContact CE1-CB 4.11Å; Y296-L390 HydrophobicContact CE1-CD1 3.92Å; Y296-L390 HydrophobicContact CE1-CD2 3.94Å; Y296-L390 HydrophobicContact CE1-CG 4.22Å; Y296-L390 PolarHBondContact OH-O 2.85Å; M297-L390 HydrophobicContact CE-CD1 3.76Å; M297-L390 HydrophobicContact SD-CD1 3.98Å; M297-L390 HydrophobicContact SD-CD2 3.77Å; M297-L390 HydrophobicContact SD-CG 4.43Å; V300-L390 HydrophobicContact CG1-CD2 4.16Å; V300-L390 HydrophobicContact CG2-CD2 4.18Å; L365-L390 CarbonylContact C-O 3.51Å; A366-L390 VanDerWaalsContact CA-O 3.24Å; A366-L390 WeakPolarHBondContact CA-O 3.4Å; A366-L390 PolarHBondContact N-O 3.49Å; L390-V403 HydrophobicContact CB-CG1 3.81Å; L390-V403 HydrophobicContact CD1-CG1 4Å; L390-V403 HydrophobicContact CG-CG1 4.31Å; L390-D404 WeakPolarHBondContact CB-OD1 3.45Å; L390-D404 PolarHBondContact N-OD1 3.43Å; L390-D404 PolarHBondContact N-OD2 3.16Å |
| 391 | I | 87.6 | Confident | 89.2 | Confident | 21 Ų | 21 | 37.9 Ų | 37.9 | 11% | 0.108 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -126.2 | 117.7 | 175 | -52.4 | -68 | 0 | 0 | 0 | 108.3 | L365 N389 T393 F395 L399 H400 V403 D404 | L365-I391 HydrophobicContact CB-CD1 4.07Å; L365-I391 HydrophobicContact CD1-CD1 4.16Å; N389-I391 PolarHBondContact O-N 3.12Å; I391-T393 PolarHBondContact O-N 3.44Å; I391-F395 HydrophobicContact CG2-CD1 3.91Å; I391-L399 HydrophobicContact CB-CB 4.42Å; I391-L399 HydrophobicContact CG1-CB 4.37Å; I391-L399 HydrophobicContact CG2-CB 3.86Å; I391-H400 WeakPolarHBondContact O-CB 3.33Å; I391-H400 PolarHBondContact O-ND1 2.79Å; I391-V403 HydrophobicContact CG1-CB 4.26Å; I391-V403 HydrophobicContact CG1-CG1 4.43Å; I391-V403 HydrophobicContact CG1-CG2 4.23Å; I391-D404 PolarHBondContact N-OD2 3.2Å |
| 392 | S | 87.5 | Confident | 88.6 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -61.2 | 137.3 | 175.3 | -177.1 | 0 | 0 | 0 | 0 | 111 | R355 L365 E394 F395 S396 | R355-S392 PolarHBondContact NH1-OG 3.34Å; R355-S392 VanDerWaalsContact NH1-OG 3.14Å; L365-S392 PolarHBondContact O-N 3.39Å; S392-E394 PolarHBondContact O-N 3.25Å; S392-E394 VanDerWaalsContact O-N 3.13Å; S392-E394 PolarHBondContact OG-N 2.96Å; S392-F395 WeakPolarHBondContact O-CB 3.33Å; S392-F395 PolarHBondContact O-N 3.27Å; S392-S396 PolarHBondContact O-N 3.32Å; S392-S396 VanDerWaalsContact O-N 3.17Å | ||
| 393 | T | 86.5 | Confident | 88.2 | Confident | 33 Ų | 33 | 44.2 Ų | 44.2 | 20% | 0.202 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -17.6 | 173.1 | 52.5 | 0 | 0 | 0 | 0 | 113.3 | R355 I391 H400 | R355-T393 PolarHBondContact NE-OG1 2.87Å; R355-T393 VanDerWaalsContact NE-OG1 3.14Å; R355-T393 PolarHBondContact NH2-OG1 3.11Å; I391-T393 PolarHBondContact O-N 3.44Å; T393-H400 HydrophobicContact CG2-CB 3.91Å; T393-H400 WeakPolarHBondContact CG2-CD2 3.2Å |
| 394 | E | 83.5 | Confident | 88 | Confident | 74 Ų | 74 | 41.8 Ų | 41.8 | 35% | 0.346 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -31.4 | 170.2 | -87.3 | 156.3 | -131.9 | 0 | 0 | 113.3 | K334 R355 S392 | K334-E394 WeakPolarHBondContact CD-OE1 3.03Å; K334-E394 WeakPolarHBondContact CE-OE1 3.47Å; K334-E394 IonicContact NZ-OE1 2.67Å; K334-E394 PolarHBondContact NZ-OE1 2.78Å; R355-E394 IonicContact CZ-OE1 3.83Å; R355-E394 VanDerWaalsContact CZ-OE1 3.32Å; R355-E394 IonicContact NH1-OE1 3.84Å; R355-E394 PolarHBondContact NH1-OE1 3.12Å; R355-E394 IonicContact NH2-OE1 3.06Å; R355-E394 PolarHBondContact NH2-OE1 2.93Å; S392-E394 PolarHBondContact O-N 3.25Å; S392-E394 VanDerWaalsContact O-N 3.13Å; S392-E394 PolarHBondContact OG-N 2.96Å |
| 395 | F | 84.4 | Confident | 87.7 | Confident | 110 Ų | 110 | 43 Ų | 43 | 48% | 0.482 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -52.7 | 179.1 | 178.7 | -99.2 | 0 | 0 | 0 | 110.4 | L358 L365 I391 S392 L399 | L358-F395 HydrophobicContact CD1-CB 4.03Å; L365-F395 HydrophobicContact CD1-CD1 3.97Å; L365-F395 HydrophobicContact CD1-CE1 3.64Å; L365-F395 HydrophobicContact CD1-CE2 4.34Å; L365-F395 HydrophobicContact CD1-CG 4.45Å; L365-F395 HydrophobicContact CD1-CZ 3.84Å; L365-F395 HydrophobicContact CD2-CD1 4.4Å; L365-F395 HydrophobicContact CD2-CD2 3.76Å; L365-F395 HydrophobicContact CD2-CE1 4.47Å; L365-F395 HydrophobicContact CD2-CE2 3.83Å; L365-F395 HydrophobicContact CD2-CG 4.05Å; L365-F395 HydrophobicContact CD2-CZ 4.2Å; I391-F395 HydrophobicContact CG2-CD1 3.91Å; S392-F395 WeakPolarHBondContact O-CB 3.33Å; S392-F395 PolarHBondContact O-N 3.27Å; F395-L399 HydrophobicContact CD1-CD1 4.49Å; F395-L399 HydrophobicContact CE1-CD1 4.04Å |
| 396 | S | 82.4 | Confident | 87.2 | Confident | 27 Ų | 27 | 45.6 Ų | 45.6 | 19% | 0.189 | 24% | 0.236 | C | C | . | . | trans | -160.2 | 117 | 176.8 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | S392 D398 L399 H400 | S392-S396 PolarHBondContact O-N 3.32Å; S392-S396 VanDerWaalsContact O-N 3.17Å; S396-D398 VanDerWaalsContact C-N 3.32Å; S396-L399 PolarHBondContact OG-N 3.29Å; S396-H400 VanDerWaalsContact O-CB 3.28Å; S396-H400 WeakPolarHBondContact O-CB 3.41Å; S396-H400 PolarHBondContact O-N 3.3Å | ||
| 397 | A | 82.7 | Confident | 86.8 | Confident | 60 Ų | 60 | 45.8 Ų | 45.8 | 50% | 0.496 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.2 | -36 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y401 | A397-Y401 WeakPolarHBondContact O-CB 3.49Å; A397-Y401 PolarHBondContact O-N 3.03Å |
| 398 | D | 81.9 | Confident | 86.4 | Confident | 125 Ų | 125 | 47.5 Ų | 47.5 | 67% | 0.668 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -69.1 | -42.7 | -179.9 | -62.5 | -46.9 | 0 | 0 | 0 | 112.2 | S396 Y401 K402 | S396-D398 VanDerWaalsContact C-N 3.32Å; D398-Y401 PolarHBondContact O-N 3.31Å; D398-K402 WeakPolarHBondContact O-CG 3.23Å; D398-K402 PolarHBondContact O-N 2.92Å |
| 399 | L | 81.9 | Confident | 86 | Confident | 74 Ų | 74 | 49.7 Ų | 49.7 | 39% | 0.387 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -69.2 | -41.3 | 175.5 | -71.4 | 174.7 | 0 | 0 | 0 | 111.2 | I391 F395 S396 Y401 K402 V403 | I391-L399 HydrophobicContact CB-CB 4.42Å; I391-L399 HydrophobicContact CG1-CB 4.37Å; I391-L399 HydrophobicContact CG2-CB 3.86Å; F395-L399 HydrophobicContact CD1-CD1 4.49Å; F395-L399 HydrophobicContact CE1-CD1 4.04Å; S396-L399 PolarHBondContact OG-N 3.29Å; L399-Y401 VanDerWaalsContact C-N 3.31Å; L399-Y401 PolarHBondContact O-N 3.03Å; L399-K402 PolarHBondContact O-N 3.3Å; L399-V403 WeakPolarHBondContact O-CB 3.39Å; L399-V403 WeakPolarHBondContact O-CG2 3.06Å; L399-V403 PolarHBondContact O-N 3.13Å |
| 400 | H | 85.4 | Confident | 85.6 | Confident | 16 Ų | 16 | 52.3 Ų | 52.3 | 7% | 0.074 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -54.7 | -48.3 | 171.9 | 169.8 | 58.5 | 0 | 0 | 0 | 111.4 | N389 I391 T393 S396 K402 V403 D404 I405 | N389-H400 PolarHBondContact ND2-CE1 2.97Å; N389-H400 PolarHBondContact ND2-ND1 3.17Å; N389-H400 VanDerWaalsContact ND2-ND1 3.11Å; I391-H400 WeakPolarHBondContact O-CB 3.33Å; I391-H400 PolarHBondContact O-ND1 2.79Å; T393-H400 HydrophobicContact CG2-CB 3.91Å; T393-H400 WeakPolarHBondContact CG2-CD2 3.2Å; S396-H400 VanDerWaalsContact O-CB 3.28Å; S396-H400 WeakPolarHBondContact O-CB 3.41Å; S396-H400 PolarHBondContact O-N 3.3Å; H400-K402 VanDerWaalsContact C-N 3.32Å; H400-K402 PolarHBondContact O-N 2.52Å; H400-V403 PolarHBondContact O-N 2.97Å; H400-D404 VanDerWaalsContact CE1-CB 3.44Å; H400-D404 WeakPolarHBondContact CE1-CB 3.48Å; H400-D404 IonicContact CE1-OD2 2.71Å; H400-D404 IonicContact CG-OD2 3.32Å; H400-D404 WeakPolarHBondContact ND1-CB 3.24Å; H400-D404 IonicContact ND1-OD2 3.64Å; H400-D404 PolarHBondContact ND1-OD2 2.79Å; H400-D404 WeakPolarHBondContact O-CA 3.42Å; H400-D404 WeakPolarHBondContact O-CB 3.48Å; H400-D404 PolarHBondContact O-N 3.22Å; H400-I405 WeakPolarHBondContact NE2-CG1 3.38Å; H400-I405 PolarHBondContact O-N 3.31Å |
| 401 | Y | 83.8 | Confident | 85.3 | Confident | 113 Ų | 113 | 52.3 Ų | 52.3 | 44% | 0.443 | 27% | 0.266 | S | S | . | . | I | π-helix | trans | -57.5 | -46.1 | 177 | -179.3 | -98.4 | 0 | 0 | 0 | 111.5 | A397 D398 L399 I405 L406 I409 | A397-Y401 WeakPolarHBondContact O-CB 3.49Å; A397-Y401 PolarHBondContact O-N 3.03Å; D398-Y401 PolarHBondContact O-N 3.31Å; L399-Y401 VanDerWaalsContact C-N 3.31Å; L399-Y401 PolarHBondContact O-N 3.03Å; Y401-I405 HydrophobicContact CD2-CB 3.99Å; Y401-I405 HydrophobicContact CD2-CG1 4.46Å; Y401-I405 HydrophobicContact CD2-CG2 3.94Å; Y401-I405 HydrophobicContact CE2-CB 4.45Å; Y401-I405 HydrophobicContact CE2-CG2 3.95Å; Y401-I405 WeakPolarHBondContact O-CB 3.35Å; Y401-I405 PolarHBondContact O-N 3.36Å; Y401-L406 HydrophobicContact CD1-CD2 4.28Å; Y401-L406 HydrophobicContact CD1-CG 4.18Å; Y401-L406 HydrophobicContact CE1-CD2 3.55Å; Y401-L406 HydrophobicContact CE1-CG 3.95Å; Y401-L406 WeakPolarHBondContact O-CG 3.35Å; Y401-L406 PolarHBondContact O-N 3.34Å; Y401-I409 HydrophobicContact CE2-CD1 4.26Å |
| 402 | K | 83.5 | Confident | 85.1 | Confident | 128 Ų | 128 | 58.3 Ų | 58.3 | 56% | 0.557 | 29% | 0.292 | S | S | * | . | I | π-helix | trans | -68.9 | -37.6 | -178.4 | -72.3 | 177.7 | -178.4 | 179.5 | 0 | 114.2 | D398 L399 H400 L406 | D398-K402 WeakPolarHBondContact O-CG 3.23Å; D398-K402 PolarHBondContact O-N 2.92Å; L399-K402 PolarHBondContact O-N 3.3Å; H400-K402 VanDerWaalsContact C-N 3.32Å; H400-K402 PolarHBondContact O-N 2.52Å; K402-L406 HydrophobicContact CB-CD1 4.15Å; K402-L406 HydrophobicContact CG-CD1 4.05Å; K402-L406 WeakPolarHBondContact O-CB 3.28Å |
| 403 | V | 85.7 | Confident | 84.7 | Confident | 51 Ų | 51 | 59.2 Ų | 59.2 | 31% | 0.309 | 30% | 0.301 | S | S | . | . | I | π-helix | trans | -93.9 | -36.4 | -171 | 178.8 | 0 | 0 | 0 | 0 | 112.2 | L390 I391 L399 H400 P407 | L390-V403 HydrophobicContact CB-CG1 3.81Å; L390-V403 HydrophobicContact CD1-CG1 4Å; L390-V403 HydrophobicContact CG-CG1 4.31Å; I391-V403 HydrophobicContact CG1-CB 4.26Å; I391-V403 HydrophobicContact CG1-CG1 4.43Å; I391-V403 HydrophobicContact CG1-CG2 4.23Å; L399-V403 WeakPolarHBondContact O-CB 3.39Å; L399-V403 WeakPolarHBondContact O-CG2 3.06Å; L399-V403 PolarHBondContact O-N 3.13Å; H400-V403 PolarHBondContact O-N 2.97Å; V403-P407 WeakPolarHBondContact O-CG 3.45Å |
| 404 | D | 90 | Very high | 84.8 | Confident | 3 Ų | 3 | 58.1 Ų | 58.1 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | I | π-helix | trans | -106.9 | -35 | -171 | -58 | -47.6 | 0 | 0 | 0 | 112.8 | L390 I391 H400 Y418 | L390-D404 WeakPolarHBondContact CB-OD1 3.45Å; L390-D404 PolarHBondContact N-OD1 3.43Å; L390-D404 PolarHBondContact N-OD2 3.16Å; I391-D404 PolarHBondContact N-OD2 3.2Å; H400-D404 VanDerWaalsContact CE1-CB 3.44Å; H400-D404 WeakPolarHBondContact CE1-CB 3.48Å; H400-D404 IonicContact CE1-OD2 2.71Å; H400-D404 IonicContact CG-OD2 3.32Å; H400-D404 WeakPolarHBondContact ND1-CB 3.24Å; H400-D404 IonicContact ND1-OD2 3.64Å; H400-D404 PolarHBondContact ND1-OD2 2.79Å; H400-D404 WeakPolarHBondContact O-CA 3.42Å; H400-D404 WeakPolarHBondContact O-CB 3.48Å; H400-D404 PolarHBondContact O-N 3.22Å; D404-Y418 PolarHBondContact O-OH 3.25Å |
| 405 | I | 88.6 | Confident | 85.1 | Confident | 25 Ų | 25 | 55.3 Ų | 55.3 | 13% | 0.128 | 28% | 0.28 | C | S | . | . | I | π-helix | trans | -94.9 | -44.7 | -176 | -55.3 | -60.9 | 0 | 0 | 0 | 112.8 | Y346 H400 Y401 P407 W408 I409 | Y346-I405 HydrophobicContact CD1-CG2 4.39Å; Y346-I405 HydrophobicContact CD2-CD1 4.44Å; Y346-I405 HydrophobicContact CE1-CG2 3.68Å; Y346-I405 HydrophobicContact CE2-CG2 4.01Å; Y346-I405 VanDerWaalsContact CZ-CG2 3.45Å; Y346-I405 WeakPolarHBondContact OH-CG2 3.03Å; H400-I405 WeakPolarHBondContact NE2-CG1 3.38Å; H400-I405 PolarHBondContact O-N 3.31Å; Y401-I405 HydrophobicContact CD2-CB 3.99Å; Y401-I405 HydrophobicContact CD2-CG1 4.46Å; Y401-I405 HydrophobicContact CD2-CG2 3.94Å; Y401-I405 HydrophobicContact CE2-CB 4.45Å; Y401-I405 HydrophobicContact CE2-CG2 3.95Å; Y401-I405 WeakPolarHBondContact O-CB 3.35Å; Y401-I405 PolarHBondContact O-N 3.36Å; I405-P407 VanDerWaalsContact C-CD 3.45Å; I405-P407 VanDerWaalsContact C-N 3.3Å; I405-W408 VanDerWaalsContact O-CB 3.32Å; I405-W408 WeakPolarHBondContact O-CB 3.45Å; I405-W408 PolarHBondContact O-N 3.09Å; I405-I409 HydrophobicContact CG2-CD1 3.99Å; I405-I409 HydrophobicContact CG2-CG1 4.4Å; I405-I409 PolarHBondContact O-N 3.21Å |
| 406 | L | 86.3 | Confident | 85.5 | Confident | 54 Ų | 54 | 50.4 Ų | 50.4 | 28% | 0.283 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -53.8 | -40.8 | 179.8 | -77.3 | -176.2 | 0 | 0 | 0 | 113 | Y401 K402 W408 I409 I410 | Y401-L406 HydrophobicContact CD1-CD2 4.28Å; Y401-L406 HydrophobicContact CD1-CG 4.18Å; Y401-L406 HydrophobicContact CE1-CD2 3.55Å; Y401-L406 HydrophobicContact CE1-CG 3.95Å; Y401-L406 WeakPolarHBondContact O-CG 3.35Å; Y401-L406 PolarHBondContact O-N 3.34Å; K402-L406 HydrophobicContact CB-CD1 4.15Å; K402-L406 HydrophobicContact CG-CD1 4.05Å; K402-L406 WeakPolarHBondContact O-CB 3.28Å; L406-W408 VanDerWaalsContact C-N 3.28Å; L406-W408 PolarHBondContact O-N 3.19Å; L406-I409 HydrophobicContact CD2-CD1 4.38Å; L406-I409 CarbonylContact O-C 3.35Å; L406-I409 WeakPolarHBondContact O-CB 3.29Å; L406-I409 PolarHBondContact O-N 3.15Å; L406-I410 WeakPolarHBondContact O-CB 3.33Å; L406-I410 VanDerWaalsContact O-CG1 3.25Å; L406-I410 WeakPolarHBondContact O-CG1 3.44Å; L406-I410 PolarHBondContact O-N 2.82Å |
| 407 | P | 87.4 | Confident | 85.9 | Confident | 7 Ų | 7 | 52 Ų | 52 | 5% | 0.045 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.3 | -33 | 177.9 | -23.1 | 34.3 | 0 | 0 | 0 | 114.3 | W285 V403 I405 I409 I410 C411 Y418 | W285-P407 HydrophobicContact CD2-CB 3.69Å; W285-P407 HydrophobicContact CE3-CB 4.2Å; W285-P407 HydrophobicContact CG-CB 4.17Å; W285-P407 HydrophobicContact CH2-CB 3.95Å; W285-P407 HydrophobicContact CZ2-CB 3.43Å; W285-P407 VanDerWaalsContact CZ2-CB 3.43Å; W285-P407 HydrophobicContact CZ2-CG 4.08Å; W285-P407 HydrophobicContact CZ3-CB 4.32Å; V403-P407 WeakPolarHBondContact O-CG 3.45Å; I405-P407 VanDerWaalsContact C-CD 3.45Å; I405-P407 VanDerWaalsContact C-N 3.3Å; P407-I409 VanDerWaalsContact C-N 3.31Å; P407-I410 PolarHBondContact O-N 2.98Å; P407-C411 PolarHBondContact O-N 3.34Å; P407-C411 PolarHBondContact O-SG 3.19Å; P407-Y418 HydrophobicContact CB-CD2 4.3Å; P407-Y418 HydrophobicContact CB-CE2 4.08Å |
| 408 | W | 86.8 | Confident | 86.3 | Confident | 43 Ų | 43 | 49.5 Ų | 49.5 | 16% | 0.163 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.4 | -42.3 | 172 | -176.8 | 101.7 | 0 | 0 | 0 | 110.8 | I345 Y346 I405 L406 C411 K412 G413 Y418 | I345-W408 HydrophobicContact CG2-CH2 4.25Å; I345-W408 HydrophobicContact CG2-CZ3 4.46Å; I345-W408 WeakPolarHBondContact O-CZ2 3.46Å; Y346-W408 AromaticContact CD1-CD2 3.83Å; Y346-W408 HydrophobicContact CD1-CD2 3.83Å; Y346-W408 AromaticContact CD1-CE3 3.7Å; Y346-W408 HydrophobicContact CD1-CE3 3.7Å; Y346-W408 HydrophobicContact CD1-CG 4.43Å; Y346-W408 HydrophobicContact CD1-CH2 4.33Å; Y346-W408 HydrophobicContact CD1-CZ2 4.4Å; Y346-W408 AromaticContact CD1-CZ3 3.99Å; Y346-W408 HydrophobicContact CD1-CZ3 3.99Å; Y346-W408 HydrophobicContact CE1-CD2 4.36Å; Y346-W408 AromaticContact CE1-CE3 3.79Å; Y346-W408 HydrophobicContact CE1-CE3 3.79Å; Y346-W408 HydrophobicContact CE1-CZ3 4.02Å; I405-W408 VanDerWaalsContact O-CB 3.32Å; I405-W408 WeakPolarHBondContact O-CB 3.45Å; I405-W408 PolarHBondContact O-N 3.09Å; L406-W408 VanDerWaalsContact C-N 3.28Å; L406-W408 PolarHBondContact O-N 3.19Å; W408-C411 CarbonylContact O-C 3.51Å; W408-C411 PolarHBondContact O-N 2.94Å; W408-K412 PolarHBondContact O-N 2.99Å; W408-G413 VanDerWaalsContact CH2-CA 3.44Å; W408-G413 VanDerWaalsContact CZ2-CA 3.41Å; W408-G413 PolarHBondContact O-N 3.08Å; W408-Y418 HydrophobicContact CB-CD2 3.9Å; W408-Y418 HydrophobicContact CB-CE2 3.92Å; W408-Y418 HydrophobicContact CB-CG 4.44Å |
| 409 | I | 85.8 | Confident | 86.8 | Confident | 66 Ų | 66 | 44.4 Ų | 44.4 | 34% | 0.338 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -68.1 | -40.3 | 178.7 | -61.8 | 172.2 | 0 | 0 | 0 | 111.1 | Y346 Y401 I405 L406 P407 C411 K412 | Y346-I409 HydrophobicContact CE1-CG1 4.34Å; Y401-I409 HydrophobicContact CE2-CD1 4.26Å; I405-I409 HydrophobicContact CG2-CD1 3.99Å; I405-I409 HydrophobicContact CG2-CG1 4.4Å; I405-I409 PolarHBondContact O-N 3.21Å; L406-I409 HydrophobicContact CD2-CD1 4.38Å; L406-I409 CarbonylContact O-C 3.35Å; L406-I409 WeakPolarHBondContact O-CB 3.29Å; L406-I409 PolarHBondContact O-N 3.15Å; P407-I409 VanDerWaalsContact C-N 3.31Å; I409-C411 PolarHBondContact O-N 3.44Å; I409-K412 WeakPolarHBondContact O-CA 3.38Å; I409-K412 PolarHBondContact O-N 3.06Å |
| 410 | I | 84.6 | Confident | 87.3 | Confident | 64 Ų | 64 | 47.1 Ų | 47.1 | 33% | 0.328 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.1 | -35.9 | 176.3 | -71.3 | 166.4 | 0 | 0 | 0 | 110.4 | S281 C282 L406 P407 K412 | S281-I410 WeakPolarHBondContact O-CG2 3.31Å; C282-I410 HydrophobicContact CB-CG2 4.2Å; L406-I410 WeakPolarHBondContact O-CB 3.33Å; L406-I410 VanDerWaalsContact O-CG1 3.25Å; L406-I410 WeakPolarHBondContact O-CG1 3.44Å; L406-I410 PolarHBondContact O-N 2.82Å; P407-I410 PolarHBondContact O-N 2.98Å; I410-K412 PolarHBondContact O-N 2.81Å |
| 411 | C | 84.1 | Confident | 87.5 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 3% | 0.027 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | 12.2 | 171.5 | -62 | 0 | 0 | 0 | 0 | 114 | C282 P407 W408 I409 G413 D414 | C282-C411 HydrophobicContact CB-CB 3.85Å; C282-C411 WeakPolarHBondContact CB-SG 3.4Å; C282-C411 VanDerWaalsContact SG-CA 3.51Å; C282-C411 WeakPolarHBondContact SG-CB 3.2Å; C282-C411 CovalentContact SG-SG 2.04Å; C282-C411 PolarHBondContact SG-SG 3.19Å; P407-C411 PolarHBondContact O-N 3.34Å; P407-C411 PolarHBondContact O-SG 3.19Å; W408-C411 CarbonylContact O-C 3.51Å; W408-C411 PolarHBondContact O-N 2.94Å; I409-C411 PolarHBondContact O-N 3.44Å; C411-G413 PolarHBondContact O-N 2.94Å; C411-D414 VanDerWaalsContact O-CB 3.31Å; C411-D414 WeakPolarHBondContact O-CB 3.42Å; C411-D414 PolarHBondContact O-N 3.24Å |
| 412 | K | 83.8 | Confident | 87.8 | Confident | 147 Ų | 147 | 43.6 Ų | 43.6 | 64% | 0.639 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 22.5 | 177.8 | -56 | 179.6 | -175.7 | 170.7 | 0 | 114.2 | W408 I409 I410 | W408-K412 PolarHBondContact O-N 2.99Å; I409-K412 WeakPolarHBondContact O-CA 3.38Å; I409-K412 PolarHBondContact O-N 3.06Å; I410-K412 PolarHBondContact O-N 2.81Å |
| 413 | G | 79 | Confident | 88.3 | Confident | 19 Ų | 19 | 41.4 Ų | 41.4 | 20% | 0.196 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 6.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | W408 C411 W415 | W408-G413 VanDerWaalsContact CH2-CA 3.44Å; W408-G413 VanDerWaalsContact CZ2-CA 3.41Å; W408-G413 PolarHBondContact O-N 3.08Å; C411-G413 PolarHBondContact O-N 2.94Å; G413-W415 PolarHBondContact O-N 3.45Å |
| 414 | D | 88.8 | Confident | 88.7 | Confident | 10 Ų | 10 | 40.4 Ų | 40.4 | 5% | 0.053 | 21% | 0.21 | C | C | . | . | trans | -67.4 | 87.1 | 164.8 | -175.5 | -7.2 | 0 | 0 | 0 | 109.3 | C411 S416 R417 Y418 | C411-D414 VanDerWaalsContact O-CB 3.31Å; C411-D414 WeakPolarHBondContact O-CB 3.42Å; C411-D414 PolarHBondContact O-N 3.24Å; D414-S416 PolarHBondContact O-N 3.32Å; D414-S416 WeakPolarHBondContact OD1-CA 3.26Å; D414-S416 VanDerWaalsContact OD1-CB 3.24Å; D414-S416 WeakPolarHBondContact OD1-CB 3.46Å; D414-S416 PolarHBondContact OD1-N 3.49Å; D414-S416 PolarHBondContact OD1-OG 3.38Å; D414-R417 PolarHBondContact O-N 3.2Å; D414-R417 PolarHBondContact OD1-N 2.77Å; D414-R417 WeakPolarHBondContact OD2-CD 3.24Å; D414-R417 WeakPolarHBondContact OD2-CG 3.18Å; D414-Y418 PolarHBondContact O-N 2.85Å | ||
| 415 | W | 90.7 | Very high | 89 | Confident | 15 Ų | 15 | 42 Ų | 42 | 6% | 0.057 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.3 | -24.7 | 178.2 | 66.5 | -93.5 | 0 | 0 | 0 | 111.9 | K383 G413 Y418 N419 Y439 Q442 F443 | K383-W415 HydrophobicContact CB-CB 4.46Å; K383-W415 VanDerWaalsContact CB-CD1 3.44Å; K383-W415 HydrophobicContact CB-CD2 4.03Å; K383-W415 HydrophobicContact CB-CG 3.71Å; G413-W415 PolarHBondContact O-N 3.45Å; W415-Y418 PolarHBondContact O-N 3.47Å; W415-N419 VanDerWaalsContact O-CB 3.22Å; W415-N419 WeakPolarHBondContact O-CB 3.44Å; W415-N419 PolarHBondContact O-N 2.98Å; W415-Y439 HydrophobicContact CH2-CD2 4.16Å; W415-Y439 AromaticContact CH2-CE2 3.53Å; W415-Y439 HydrophobicContact CH2-CE2 3.53Å; W415-Y439 AromaticContact CZ3-CE2 3.99Å; W415-Y439 HydrophobicContact CZ3-CE2 3.99Å; W415-Q442 HydrophobicContact CZ2-CB 3.87Å; W415-Q442 WeakPolarHBondContact CZ2-O 3.41Å; W415-Q442 PolarHBondContact NE1-O 2.75Å; W415-F443 HydrophobicContact CH2-CB 4.31Å; W415-F443 HydrophobicContact CH2-CD2 4.2Å; W415-F443 HydrophobicContact CZ2-CB 4.2Å |
| 416 | S | 92.3 | Very high | 89.3 | Confident | 8 Ų | 8 | 43.3 Ų | 43.3 | 6% | 0.056 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.5 | -41.4 | -175.9 | 82.4 | 0 | 0 | 0 | 0 | 111.1 | D414 Q420 | D414-S416 PolarHBondContact O-N 3.32Å; D414-S416 WeakPolarHBondContact OD1-CA 3.26Å; D414-S416 VanDerWaalsContact OD1-CB 3.24Å; D414-S416 WeakPolarHBondContact OD1-CB 3.46Å; D414-S416 PolarHBondContact OD1-N 3.49Å; D414-S416 PolarHBondContact OD1-OG 3.38Å; S416-Q420 WeakPolarHBondContact O-CG 3.46Å; S416-Q420 PolarHBondContact O-N 2.91Å |
| 417 | R | 90.9 | Very high | 89.5 | Confident | 59 Ų | 59 | 42.1 Ų | 42.1 | 22% | 0.223 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72 | -42.4 | 174.6 | -73.5 | 178.8 | 71.3 | -166.6 | 3 | 112 | D280 E283 M286 D414 N419 Q420 | D280-R417 IonicContact OD2-CZ 3.84Å; D280-R417 IonicContact OD2-NH1 2.66Å; D280-R417 PolarHBondContact OD2-NH1 3.08Å; D280-R417 IonicContact OD2-NH2 2.82Å; D280-R417 PolarHBondContact OD2-NH2 3.02Å; E283-R417 VanDerWaalsContact N-NH2 3.1Å; M286-R417 HydrophobicContact CE-CB 4.18Å; M286-R417 WeakPolarHBondContact CE-O 3.31Å; M286-R417 HydrophobicContact SD-CB 3.7Å; M286-R417 HydrophobicContact SD-CG 4.17Å; D414-R417 PolarHBondContact O-N 3.2Å; D414-R417 PolarHBondContact OD1-N 2.77Å; D414-R417 WeakPolarHBondContact OD2-CD 3.24Å; D414-R417 WeakPolarHBondContact OD2-CG 3.18Å; R417-N419 VanDerWaalsContact C-N 3.34Å; R417-N419 PolarHBondContact O-N 3.41Å; R417-Q420 WeakPolarHBondContact O-CB 3.27Å; R417-Q420 PolarHBondContact O-N 3.31Å |
| 418 | Y | 90.7 | Very high | 89.8 | Confident | 8 Ų | 8 | 44.5 Ų | 44.5 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.2 | -48 | 174 | 179.5 | -92.7 | 0 | 0 | 0 | 111.5 | W285 T387 D404 P407 W408 D414 W415 Q420 A421 R422 | W285-Y418 AromaticContact CH2-CD2 3.65Å; W285-Y418 HydrophobicContact CH2-CD2 3.65Å; W285-Y418 HydrophobicContact CH2-CE2 4.09Å; W285-Y418 HydrophobicContact CH2-CG 4.37Å; W285-Y418 HydrophobicContact CZ2-CD2 4.41Å; W285-Y418 HydrophobicContact CZ2-CE2 4.45Å; W285-Y418 HydrophobicContact CZ3-CD2 4.16Å; T387-Y418 HydrophobicContact CG2-CD1 4.49Å; T387-Y418 HydrophobicContact CG2-CE1 3.93Å; D404-Y418 PolarHBondContact O-OH 3.25Å; P407-Y418 HydrophobicContact CB-CD2 4.3Å; P407-Y418 HydrophobicContact CB-CE2 4.08Å; W408-Y418 HydrophobicContact CB-CD2 3.9Å; W408-Y418 HydrophobicContact CB-CE2 3.92Å; W408-Y418 HydrophobicContact CB-CG 4.44Å; D414-Y418 PolarHBondContact O-N 2.85Å; W415-Y418 PolarHBondContact O-N 3.47Å; Y418-Q420 VanDerWaalsContact C-N 3.28Å; Y418-Q420 PolarHBondContact O-N 3.04Å; Y418-A421 PolarHBondContact O-N 3.5Å; Y418-A421 VanDerWaalsContact O-N 3.11Å; Y418-R422 HydrophobicContact CD1-CB 4.07Å; Y418-R422 HydrophobicContact CE1-CB 3.67Å; Y418-R422 HydrophobicContact CE1-CG 4.02Å; Y418-R422 HydrophobicContact CE2-CG 4.06Å; Y418-R422 WeakPolarHBondContact O-CB 3.36Å; Y418-R422 PolarHBondContact O-N 2.98Å |
| 419 | N | 93.4 | Very high | 90.2 | Very high | 19 Ų | 19 | 51.3 Ų | 51.3 | 10% | 0.102 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.3 | -23.2 | -177.8 | -75.2 | -0.4 | 0 | 0 | 0 | 113.5 | G382 W415 R417 A421 R422 P423 | G382-N419 PolarHBondContact O-ND2 3.39Å; W415-N419 VanDerWaalsContact O-CB 3.22Å; W415-N419 WeakPolarHBondContact O-CB 3.44Å; W415-N419 PolarHBondContact O-N 2.98Å; R417-N419 VanDerWaalsContact C-N 3.34Å; R417-N419 PolarHBondContact O-N 3.41Å; N419-A421 VanDerWaalsContact C-N 3.33Å; N419-R422 WeakPolarHBondContact CA-O 3.24Å; N419-R422 CarbonylContact O-C 3.54Å; N419-R422 PolarHBondContact O-N 3.35Å; N419-P423 VanDerWaalsContact O-CA 3.23Å; N419-P423 WeakPolarHBondContact O-CA 3.46Å; N419-P423 VanDerWaalsContact O-N 3.11Å |
| 420 | Q | 91.3 | Very high | 90.7 | Very high | 130 Ų | 130 | 48.5 Ų | 48.5 | 61% | 0.607 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -64.6 | -39.1 | 171.3 | -74.3 | 169.1 | 34.6 | 0 | 0 | 111.8 | M286 S416 R417 Y418 | M286-Q420 HydrophobicContact CE-CB 3.97Å; S416-Q420 WeakPolarHBondContact O-CG 3.46Å; S416-Q420 PolarHBondContact O-N 2.91Å; R417-Q420 WeakPolarHBondContact O-CB 3.27Å; R417-Q420 PolarHBondContact O-N 3.31Å; Y418-Q420 VanDerWaalsContact C-N 3.28Å; Y418-Q420 PolarHBondContact O-N 3.04Å |
| 421 | A | 89.5 | Confident | 91.3 | Very high | 41 Ų | 41 | 50.8 Ų | 50.8 | 34% | 0.339 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -84.2 | -26.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | W285 M286 Y418 N419 | W285-A421 HydrophobicContact CH2-CB 3.42Å; W285-A421 VanDerWaalsContact CH2-CB 3.42Å; W285-A421 HydrophobicContact CZ2-CB 4.05Å; W285-A421 HydrophobicContact CZ3-CB 3.69Å; M286-A421 HydrophobicContact CG-CB 4.48Å; Y418-A421 PolarHBondContact O-N 3.5Å; Y418-A421 VanDerWaalsContact O-N 3.11Å; N419-A421 VanDerWaalsContact C-N 3.33Å |
| 422 | R | 90.4 | Very high | 91.9 | Very high | 14 Ų | 14 | 55.7 Ų | 55.7 | 5% | 0.053 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -128.6 | 75.9 | -177.3 | -62.6 | -60.9 | -170.3 | -178 | 2.4 | 111 | W285 M297 T387 Y418 N419 | W285-R422 HydrophobicContact CH2-CG 4.01Å; W285-R422 HydrophobicContact CZ2-CG 4.11Å; M297-R422 VanDerWaalsContact CE-CZ 3.44Å; M297-R422 PolarHBondContact SD-NH1 2.97Å; T387-R422 HydrophobicContact CG2-CB 4.37Å; T387-R422 WeakPolarHBondContact CG2-O 3.24Å; Y418-R422 HydrophobicContact CD1-CB 4.07Å; Y418-R422 HydrophobicContact CE1-CB 3.67Å; Y418-R422 HydrophobicContact CE1-CG 4.02Å; Y418-R422 HydrophobicContact CE2-CG 4.06Å; Y418-R422 WeakPolarHBondContact O-CB 3.36Å; Y418-R422 PolarHBondContact O-N 2.98Å; N419-R422 WeakPolarHBondContact CA-O 3.24Å; N419-R422 CarbonylContact O-C 3.54Å; N419-R422 PolarHBondContact O-N 3.35Å |
| 423 | P | 93.7 | Very high | 92.5 | Very high | 83 Ų | 83 | 50 Ų | 50 | 54% | 0.539 | 27% | 0.273 | S | S | . | . | trans | -65.3 | 138 | -175.9 | 25.1 | -33.5 | 0 | 0 | 0 | 111.5 | P388 N419 | P388-P423 WeakPolarHBondContact CD-O 3.26Å; N419-P423 VanDerWaalsContact O-CA 3.23Å; N419-P423 WeakPolarHBondContact O-CA 3.46Å; N419-P423 VanDerWaalsContact O-N 3.11Å | ||
| 424 | P | 95.5 | Very high | 93.3 | Very high | 30 Ų | 30 | 49.8 Ų | 49.8 | 20% | 0.195 | 27% | 0.268 | C | S | . | . | trans | -57.5 | 150.6 | 166.1 | -24.2 | 34.3 | 0 | 0 | 0 | 111.8 | A385 G386 T387 | A385-P424 HydrophobicContact CB-CB 3.81Å; A385-P424 HydrophobicContact CB-CG 3.48Å; A385-P424 VanDerWaalsContact CB-CG 3.48Å; G386-P424 WeakPolarHBondContact O-CA 3.06Å; G386-P424 WeakPolarHBondContact O-CB 3.23Å; T387-P424 HydrophobicContact CG2-CG 4.26Å | ||
| 425 | N | 95 | Very high | 93.6 | Very high | 35 Ų | 35 | 55.3 Ų | 55.3 | 19% | 0.187 | 29% | 0.293 | C | S | . | . | trans | -88.7 | 114.5 | 179.5 | -177.5 | -60.3 | 0 | 0 | 0 | 110.5 | S306 C307 Q368 G427 | S306-N425 WeakPolarHBondContact CA-OD1 3.47Å; C307-N425 WeakPolarHBondContact CB-O 3.31Å; C307-N425 PolarHBondContact N-OD1 3.46Å; Q368-N425 VanDerWaalsContact NE2-CB 3.32Å; Q368-N425 PolarHBondContact OE1-ND2 3.21Å; N425-G427 PolarHBondContact OD1-N 3.38Å; N425-G427 VanDerWaalsContact OD1-N 3.13Å | ||
| 426 | N | 94.7 | Very high | 93.8 | Very high | 53 Ų | 53 | 58.4 Ų | 58.4 | 28% | 0.283 | 31% | 0.311 | S | S | . | . | trans | -123.3 | 45.1 | 167.8 | -168.9 | 18.5 | 0 | 0 | 0 | 110.9 | T380 Q428 K429 C430 | T380-N426 HydrophobicContact CG2-CB 4.11Å; N426-Q428 VanDerWaalsContact C-N 3.26Å; N426-Q428 PolarHBondContact O-N 3.05Å; N426-K429 PolarHBondContact O-N 3.5Å; N426-K429 VanDerWaalsContact O-N 3.12Å; N426-C430 PolarHBondContact ND2-O 3.06Å; N426-C430 WeakPolarHBondContact OD1-CB 3.42Å; N426-C430 PolarHBondContact OD1-N 3.27Å | ||
| 427 | G | 91.9 | Very high | 94 | Very high | 30 Ų | 30 | 66.1 Ų | 66.1 | 31% | 0.309 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -38 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L326 N425 K429 | L326-G427 VanDerWaalsContact CD1-C 3.47Å; L326-G427 VanDerWaalsContact CD1-O 3.31Å; L326-G427 WeakPolarHBondContact CD1-O 3.25Å; N425-G427 PolarHBondContact OD1-N 3.38Å; N425-G427 VanDerWaalsContact OD1-N 3.13Å; G427-K429 PolarHBondContact O-N 3.43Å |
| 428 | Q | 93.6 | Very high | 94.2 | Very high | 56 Ų | 56 | 67.6 Ų | 67.6 | 26% | 0.262 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 2.6 | -179.9 | -60.2 | -167.6 | 5.4 | 0 | 0 | 114.5 | N426 C430 | N426-Q428 VanDerWaalsContact C-N 3.26Å; N426-Q428 PolarHBondContact O-N 3.05Å; Q428-C430 VanDerWaalsContact C-N 3.33Å; Q428-C430 PolarHBondContact O-N 3.33Å |
| 429 | K | 95.1 | Very high | 94.4 | Very high | 186 Ų | 186 | 69.9 Ų | 69.9 | 81% | 0.809 | 37% | 0.367 | S | S | * | . | trans | 55.6 | 46.4 | -178.9 | -54 | 179.8 | -178.7 | 179.6 | 0 | 112.5 | N426 G427 | N426-K429 PolarHBondContact O-N 3.5Å; N426-K429 VanDerWaalsContact O-N 3.12Å; G427-K429 PolarHBondContact O-N 3.43Å | ||
| 430 | C | 95.8 | Very high | 94.5 | Very high | 8 Ų | 8 | 75.6 Ų | 75.6 | 5% | 0.054 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 155.8 | 174.5 | -52 | 0 | 0 | 0 | 0 | 110.6 | C309 L378 T380 N426 Q428 | C309-C430 WeakPolarHBondContact CA-SG 3.44Å; C309-C430 HydrophobicContact CB-CB 3.74Å; C309-C430 WeakPolarHBondContact CB-SG 3.14Å; C309-C430 VanDerWaalsContact SG-CA 3.53Å; C309-C430 WeakPolarHBondContact SG-CB 3.33Å; C309-C430 CovalentContact SG-SG 2.03Å; C309-C430 PolarHBondContact SG-SG 3.39Å; L378-C430 HydrophobicContact CD2-CB 4.17Å; T380-C430 HydrophobicContact CG2-CB 4.04Å; N426-C430 PolarHBondContact ND2-O 3.06Å; N426-C430 WeakPolarHBondContact OD1-CB 3.42Å; N426-C430 PolarHBondContact OD1-N 3.27Å; Q428-C430 VanDerWaalsContact C-N 3.33Å; Q428-C430 PolarHBondContact O-N 3.33Å |
| 431 | P | 96.8 | Very high | 94.6 | Very high | 111 Ų | 111 | 75.4 Ų | 75.4 | 72% | 0.721 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -52.4 | 144 | 174.2 | -25.7 | 34.7 | 0 | 0 | 0 | 112.2 | T380 N433 | T380-P431 PolarHBondContact OG1-O 3.06Å; P431-N433 PolarHBondContact O-N 3.46Å |
| 432 | E | 96.3 | Very high | 94.7 | Very high | 108 Ų | 108 | 74.5 Ų | 74.5 | 51% | 0.505 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 129.1 | 179.2 | -62.8 | -172.2 | 164.5 | 0 | 0 | 110.7 | T380 R381 Q435 | T380-E432 WeakPolarHBondContact OG1-CA 3.39Å; R381-E432 IonicContact CZ-OE2 2.81Å; R381-E432 VanDerWaalsContact CZ-OE2 3.26Å; R381-E432 IonicContact NH1-OE1 3.45Å; R381-E432 IonicContact NH1-OE2 2.76Å; R381-E432 PolarHBondContact NH1-OE2 2.85Å; R381-E432 IonicContact NH2-OE2 3.26Å; R381-E432 PolarHBondContact NH2-OE2 3.11Å; E432-Q435 PolarHBondContact O-NE2 2.99Å; E432-Q435 VanDerWaalsContact O-NE2 3.16Å |
| 433 | N | 96.8 | Very high | 94.8 | Very high | 28 Ų | 28 | 76.5 Ų | 76.5 | 15% | 0.15 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -148.4 | 120 | -177.3 | -174.3 | 22.1 | 0 | 0 | 0 | 108.8 | D373 L378 T380 R381 P431 | D373-N433 PolarHBondContact OD2-ND2 3.35Å; L378-N433 VanDerWaalsContact O-CB 3.27Å; L378-N433 WeakPolarHBondContact O-CB 3.34Å; L378-N433 PolarHBondContact O-ND2 2.93Å; L378-N433 VanDerWaalsContact O-ND2 3.1Å; T380-N433 PolarHBondContact N-O 3.31Å; T380-N433 PolarHBondContact OG1-N 3.25Å; T380-N433 PolarHBondContact OG1-O 3.41Å; R381-N433 PolarHBondContact N-O 3Å; R381-N433 VanDerWaalsContact N-O 3.15Å; P431-N433 PolarHBondContact O-N 3.46Å |
| 434 | P | 96 | Very high | 94.5 | Very high | 13 Ų | 13 | 78.7 Ų | 78.7 | 8% | 0.084 | 39% | 0.386 | C | S | . | . | S | Bend | cis | -72.9 | 171.5 | 2 | 32.4 | -37.6 | 0 | 0 | 0 | 113.8 | R381 D438 | R381-P434 PolarHBondContact NE-O 3.43Å; R381-P434 PolarHBondContact NH2-O 2.96Å; R381-P434 WeakPolarHBondContact O-CD 3.39Å; P434-D438 HydrophobicContact CB-CB 3.91Å |
| 435 | Q | 95.3 | Very high | 94.2 | Very high | 127 Ų | 127 | 80.4 Ų | 80.4 | 59% | 0.593 | 39% | 0.392 | S | S | * | . | trans | -63.8 | 163.1 | 173.7 | -62.5 | -58.1 | -64.3 | 0 | 0 | 111.4 | E432 E437 D438 Y439 | E432-Q435 PolarHBondContact O-NE2 2.99Å; E432-Q435 VanDerWaalsContact O-NE2 3.16Å; Q435-E437 VanDerWaalsContact C-N 3.35Å; Q435-E437 PolarHBondContact O-N 3.49Å; Q435-D438 PolarHBondContact O-N 2.93Å; Q435-Y439 WeakPolarHBondContact O-CB 3.42Å; Q435-Y439 PolarHBondContact O-N 2.99Å | ||
| 436 | D | 95.6 | Very high | 93.7 | Very high | 80 Ų | 80 | 79 Ų | 79 | 43% | 0.428 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -55.3 | -46.9 | -173.3 | -71.2 | -14.6 | 0 | 0 | 0 | 112.6 | R381 D438 Y439 Y440 | R381-D436 IonicContact CZ-OD1 3.32Å; R381-D436 VanDerWaalsContact CZ-OD1 3.32Å; R381-D436 IonicContact NH1-OD1 3.91Å; R381-D436 PolarHBondContact NH1-OD1 3.3Å; R381-D436 VanDerWaalsContact NH1-OD1 3.15Å; R381-D436 IonicContact NH2-OD1 2.77Å; R381-D436 PolarHBondContact NH2-OD1 3.49Å; D436-D438 PolarHBondContact O-N 3.42Å; D436-Y439 WeakPolarHBondContact O-CB 3.34Å; D436-Y439 PolarHBondContact O-N 2.93Å; D436-Y440 HydrophobicContact CB-CD2 4.28Å; D436-Y440 HydrophobicContact CB-CE2 4.05Å; D436-Y440 WeakPolarHBondContact O-CD2 3.4Å; D436-Y440 PolarHBondContact O-N 3.05Å |
| 437 | E | 95.6 | Very high | 92.6 | Very high | 170 Ų | 170 | 85 Ų | 85 | 79% | 0.794 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -58 | -50 | -179.4 | -65 | -178.8 | 178.1 | 0 | 0 | 112.3 | Q435 Y439 Y440 K441 | Q435-E437 VanDerWaalsContact C-N 3.35Å; Q435-E437 PolarHBondContact O-N 3.49Å; E437-Y439 VanDerWaalsContact C-N 3.35Å; E437-Y439 PolarHBondContact O-N 2.98Å; E437-Y440 PolarHBondContact O-N 3.47Å; E437-K441 PolarHBondContact O-N 3.33Å |
| 438 | D | 95.1 | Very high | 91.3 | Very high | 90 Ų | 90 | 91.5 Ų | 91.5 | 48% | 0.481 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.6 | -37.3 | 178.1 | -73.4 | -36.3 | 0 | 0 | 0 | 111.9 | P434 Q435 D436 K441 Q442 | P434-D438 HydrophobicContact CB-CB 3.91Å; Q435-D438 PolarHBondContact O-N 2.93Å; D436-D438 PolarHBondContact O-N 3.42Å; D438-K441 PolarHBondContact O-N 2.99Å; D438-Q442 WeakPolarHBondContact O-CB 3.47Å; D438-Q442 VanDerWaalsContact O-CG 3.23Å; D438-Q442 WeakPolarHBondContact O-CG 3.44Å; D438-Q442 PolarHBondContact O-N 3.24Å |
| 439 | Y | 95.3 | Very high | 89.6 | Confident | 55 Ų | 55 | 97.6 Ų | 97.6 | 22% | 0.216 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -63.1 | -47.3 | 176.5 | 174.9 | -100.8 | 0 | 0 | 0 | 111.5 | R381 W415 Q435 D436 E437 K441 Q442 F443 | R381-Y439 HydrophobicContact CB-CD2 4.09Å; R381-Y439 HydrophobicContact CB-CE2 3.91Å; R381-Y439 HydrophobicContact CG-CD2 3.7Å; R381-Y439 HydrophobicContact CG-CE2 4.04Å; R381-Y439 HydrophobicContact CG-CG 4.42Å; W415-Y439 HydrophobicContact CH2-CD2 4.16Å; W415-Y439 AromaticContact CH2-CE2 3.53Å; W415-Y439 HydrophobicContact CH2-CE2 3.53Å; W415-Y439 AromaticContact CZ3-CE2 3.99Å; W415-Y439 HydrophobicContact CZ3-CE2 3.99Å; Q435-Y439 WeakPolarHBondContact O-CB 3.42Å; Q435-Y439 PolarHBondContact O-N 2.99Å; D436-Y439 WeakPolarHBondContact O-CB 3.34Å; D436-Y439 PolarHBondContact O-N 2.93Å; E437-Y439 VanDerWaalsContact C-N 3.35Å; E437-Y439 PolarHBondContact O-N 2.98Å; Y439-K441 VanDerWaalsContact C-N 3.34Å; Y439-K441 PolarHBondContact O-N 2.93Å; Y439-Q442 PolarHBondContact O-N 3.36Å; Y439-F443 WeakPolarHBondContact O-CB 3.35Å; Y439-F443 PolarHBondContact O-N 2.95Å |
| 440 | Y | 94.4 | Very high | 89.3 | Confident | 140 Ų | 140 | 93.2 Ų | 93.2 | 55% | 0.549 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 178.2 | -74.9 | -60.6 | 0 | 0 | 0 | 111.7 | D436 E437 Q442 F443 E444 | D436-Y440 HydrophobicContact CB-CD2 4.28Å; D436-Y440 HydrophobicContact CB-CE2 4.05Å; D436-Y440 WeakPolarHBondContact O-CD2 3.4Å; D436-Y440 PolarHBondContact O-N 3.05Å; E437-Y440 PolarHBondContact O-N 3.47Å; Y440-Q442 PolarHBondContact O-N 2.97Å; Y440-F443 WeakPolarHBondContact O-CB 3.24Å; Y440-F443 PolarHBondContact O-N 3.12Å; Y440-F443 VanDerWaalsContact O-N 3.12Å; Y440-E444 WeakPolarHBondContact O-CG 3.35Å; Y440-E444 PolarHBondContact O-N 2.72Å |
| 441 | K | 93.4 | Very high | 88.9 | Confident | 125 Ų | 125 | 97.6 Ų | 97.6 | 54% | 0.543 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.2 | -47.1 | 173.5 | -175.5 | -177.8 | 175.4 | -174.7 | 0 | 112 | E437 D438 Y439 F443 E444 E445 | E437-K441 PolarHBondContact O-N 3.33Å; D438-K441 PolarHBondContact O-N 2.99Å; Y439-K441 VanDerWaalsContact C-N 3.34Å; Y439-K441 PolarHBondContact O-N 2.93Å; K441-F443 PolarHBondContact O-N 3.36Å; K441-E444 PolarHBondContact O-N 3.27Å; K441-E445 WeakPolarHBondContact CE-OE1 3.3Å; K441-E445 WeakPolarHBondContact O-CG 3.03Å; K441-E445 PolarHBondContact O-N 3.4Å |
| 442 | Q | 92.6 | Very high | 88.5 | Confident | 22 Ų | 22 | 96.9 Ų | 96.9 | 10% | 0.103 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -61.6 | -33.1 | 175.8 | -72.1 | 175.4 | 28.8 | 0 | 0 | 112.5 | K383 W415 D438 Y439 Y440 A446 | K383-Q442 HydrophobicContact CD-CG 4.23Å; K383-Q442 HydrophobicContact CG-CG 4.43Å; K383-Q442 VanDerWaalsContact N-OE1 3.15Å; W415-Q442 HydrophobicContact CZ2-CB 3.87Å; W415-Q442 WeakPolarHBondContact CZ2-O 3.41Å; W415-Q442 PolarHBondContact NE1-O 2.75Å; D438-Q442 WeakPolarHBondContact O-CB 3.47Å; D438-Q442 VanDerWaalsContact O-CG 3.23Å; D438-Q442 WeakPolarHBondContact O-CG 3.44Å; D438-Q442 PolarHBondContact O-N 3.24Å; Y439-Q442 PolarHBondContact O-N 3.36Å; Y440-Q442 PolarHBondContact O-N 2.97Å; Q442-A446 PolarHBondContact O-N 3.47Å |
| 443 | F | 91.5 | Very high | 88 | Confident | 57 Ų | 57 | 96.2 Ų | 96.2 | 25% | 0.25 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -75.2 | -40 | -179.5 | -177.7 | -93.4 | 0 | 0 | 0 | 111.7 | W415 Y439 Y440 K441 A446 R447 | W415-F443 HydrophobicContact CH2-CB 4.31Å; W415-F443 HydrophobicContact CH2-CD2 4.2Å; W415-F443 HydrophobicContact CZ2-CB 4.2Å; Y439-F443 WeakPolarHBondContact O-CB 3.35Å; Y439-F443 PolarHBondContact O-N 2.95Å; Y440-F443 WeakPolarHBondContact O-CB 3.24Å; Y440-F443 PolarHBondContact O-N 3.12Å; Y440-F443 VanDerWaalsContact O-N 3.12Å; K441-F443 PolarHBondContact O-N 3.36Å; F443-A446 WeakPolarHBondContact O-CB 3.44Å; F443-A446 PolarHBondContact O-N 3.06Å; F443-R447 HydrophobicContact CE1-CG 4.46Å; F443-R447 PolarHBondContact O-N 3.13Å |
| 444 | E | 89.4 | Confident | 87.5 | Confident | 128 Ų | 128 | 100.5 Ų | 100.5 | 60% | 0.598 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -61.6 | -48.1 | 171.7 | -72.7 | 177.4 | 176.4 | 0 | 0 | 110.9 | Y440 K441 A446 R447 | Y440-E444 WeakPolarHBondContact O-CG 3.35Å; Y440-E444 PolarHBondContact O-N 2.72Å; K441-E444 PolarHBondContact O-N 3.27Å; E444-A446 PolarHBondContact O-N 3.11Å; E444-R447 PolarHBondContact O-N 3.03Å; E444-R447 VanDerWaalsContact O-N 3.12Å |
| 445 | E | 87.6 | Confident | 86.9 | Confident | 67 Ų | 67 | 106.3 Ų | 106.3 | 31% | 0.313 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -54 | -37.7 | 174.5 | -74.8 | 172.3 | -171.2 | 0 | 0 | 112.3 | K383 K441 R447 F449 | K383-E445 IonicContact NZ-OE2 3.01Å; K383-E445 PolarHBondContact NZ-OE2 3.46Å; K441-E445 WeakPolarHBondContact CE-OE1 3.3Å; K441-E445 WeakPolarHBondContact O-CG 3.03Å; K441-E445 PolarHBondContact O-N 3.4Å; E445-R447 VanDerWaalsContact C-N 3.34Å; E445-R447 PolarHBondContact O-N 3.45Å; E445-F449 VanDerWaalsContact O-CD2 3.24Å; E445-F449 WeakPolarHBondContact O-CD2 3.42Å |
| 446 | A | 84.5 | Confident | 86.3 | Confident | 6 Ų | 6 | 104.9 Ų | 104.9 | 5% | 0.05 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -69.1 | -30.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q442 F443 E444 E448 | Q442-A446 PolarHBondContact O-N 3.47Å; F443-A446 WeakPolarHBondContact O-CB 3.44Å; F443-A446 PolarHBondContact O-N 3.06Å; E444-A446 PolarHBondContact O-N 3.11Å; A446-E448 VanDerWaalsContact C-N 3.35Å |
| 447 | R | 71.5 | Confident | 85.6 | Confident | 178 Ų | 178 | 106.8 Ų | 106.8 | 67% | 0.672 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -83.3 | -11.5 | -176 | -71.5 | -176.5 | 61.9 | 175.9 | -0.8 | 113.8 | F443 E444 E445 F449 | F443-R447 HydrophobicContact CE1-CG 4.46Å; F443-R447 PolarHBondContact O-N 3.13Å; E444-R447 PolarHBondContact O-N 3.03Å; E444-R447 VanDerWaalsContact O-N 3.12Å; E445-R447 VanDerWaalsContact C-N 3.34Å; E445-R447 PolarHBondContact O-N 3.45Å; R447-F449 VanDerWaalsContact C-N 3.29Å |
| 448 | E | 64.9 | Low | 84.8 | Confident | 166 Ų | 166 | 101.5 Ų | 101.5 | 78% | 0.776 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -3.8 | 179.2 | -66.8 | -174.2 | 163.8 | 0 | 0 | 113.2 | A446 | A446-E448 VanDerWaalsContact C-N 3.35Š|
| 449 | F | 57.4 | Low | 83.9 | Confident | 184 Ų | 184 | 102.5 Ų | 102.5 | 81% | 0.807 | 44% | 0.443 | S | S | * | . | trans | -108.4 | 0 | 177.2 | -68.3 | -84.4 | 0 | 0 | 0 | 112.3 | E445 R447 | E445-F449 VanDerWaalsContact O-CD2 3.24Å; E445-F449 WeakPolarHBondContact O-CD2 3.42Å; R447-F449 VanDerWaalsContact C-N 3.29Å |
Retrieved 449 of 449 residues in 118.6 ms
(Link to these results)