| 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 | 46.9 | Very low | 49.4 | Very low | 239 Ų | 239 | 139.5 Ų | 139.5 | 100% | 1.177 | 72% | 0.718 | S | S | * | * | 0 | 110.2 | 0 | -65.6 | 166.5 | 171.7 | 0 | 0 | 109.5 | |||||
| 2 | K | 48.7 | Very low | 49.3 | Very low | 210 Ų | 210 | 133.2 Ų | 133.2 | 91% | 0.913 | 69% | 0.694 | S | S | * | * | trans | -152.1 | 66.8 | -180 | -72.6 | -170.5 | 178.4 | 177.1 | 0 | 112.3 | ||||
| 3 | T | 50.6 | Low | 49.6 | Very low | 128 Ų | 128 | 127.9 Ų | 127.9 | 79% | 0.785 | 68% | 0.676 | S | S | * | * | trans | -130.9 | -24 | -177.3 | 42.3 | 0 | 0 | 0 | 0 | 115.4 | R5 | T3-R5 VanDerWaalsContact C-N 3.33Å; T3-R5 PolarHBondContact O-N 3.32Å | ||
| 4 | S | 51.9 | Low | 50.4 | Low | 97 Ų | 97 | 124.8 Ų | 124.8 | 68% | 0.678 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -0.8 | -168.7 | -44.5 | 0 | 0 | 0 | 0 | 117.3 | ||
| 5 | R | 49.4 | Very low | 51.3 | Low | 240 Ų | 240 | 122.1 Ų | 122.1 | 91% | 0.906 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -24 | -174.8 | -75.7 | -170.8 | 174.4 | -168.4 | -3.2 | 114.8 | T3 | T3-R5 VanDerWaalsContact C-N 3.33Å; T3-R5 PolarHBondContact O-N 3.32Å |
| 6 | S | 49.7 | Very low | 52.2 | Low | 86 Ų | 86 | 120.1 Ų | 120.1 | 60% | 0.601 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -71.6 | -43.5 | -173.9 | -178 | 0 | 0 | 0 | 0 | 113.5 | N8 A9 | S6-N8 PolarHBondContact O-N 2.93Å; S6-A9 PolarHBondContact O-N 3.11Å |
| 7 | T | 49.9 | Very low | 53.2 | Low | 85 Ų | 85 | 118.8 Ų | 118.8 | 52% | 0.521 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -69.6 | -27.9 | -169.2 | 48.2 | 0 | 0 | 0 | 0 | 114.3 | K11 | T7-K11 WeakPolarHBondContact O-CG 3.41Å; T7-K11 PolarHBondContact O-N 3.16Å |
| 8 | N | 48.8 | Very low | 54.1 | Low | 94 Ų | 94 | 119.2 Ų | 119.2 | 50% | 0.503 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -76 | -36.7 | 179.1 | -74.9 | -9.5 | 0 | 0 | 0 | 112.5 | S6 F10 K11 C12 | S6-N8 PolarHBondContact O-N 2.93Å; N8-F10 VanDerWaalsContact C-N 3.29Å; N8-F10 PolarHBondContact O-N 3.45Å; N8-K11 PolarHBondContact O-N 3.01Å; N8-C12 PolarHBondContact O-N 3.26Å; N8-C12 PolarHBondContact O-SG 3.26Å; N8-C12 VanDerWaalsContact O-SG 3.38Å |
| 9 | A | 49.3 | Very low | 54.9 | Low | 68 Ų | 68 | 117.9 Ų | 117.9 | 56% | 0.562 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -59.9 | -40.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | S6 K11 C12 S13 | S6-A9 PolarHBondContact O-N 3.11Å; A9-K11 PolarHBondContact O-N 3.43Å; A9-C12 PolarHBondContact O-N 2.81Å; A9-S13 PolarHBondContact O-N 3.39Å |
| 10 | F | 46 | Very low | 55.5 | Low | 155 Ų | 155 | 118.4 Ų | 118.4 | 68% | 0.68 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.3 | -36.6 | 176.7 | -124.8 | -83.6 | 0 | 0 | 0 | 113.1 | N8 T14 | N8-F10 VanDerWaalsContact C-N 3.29Å; N8-F10 PolarHBondContact O-N 3.45Å; F10-T14 PolarHBondContact O-N 3Å; F10-T14 PolarHBondContact O-OG1 3.36Å |
| 11 | K | 52.1 | Low | 56.3 | Low | 132 Ų | 132 | 116 Ų | 116 | 57% | 0.574 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66.2 | -49 | 174.9 | -71.6 | 173.7 | -179.5 | 178.3 | 0 | 111.3 | T7 N8 A9 S13 T14 V15 | T7-K11 WeakPolarHBondContact O-CG 3.41Å; T7-K11 PolarHBondContact O-N 3.16Å; N8-K11 PolarHBondContact O-N 3.01Å; A9-K11 PolarHBondContact O-N 3.43Å; K11-S13 PolarHBondContact O-N 3.28Å; K11-T14 PolarHBondContact O-N 2.79Å; K11-V15 WeakPolarHBondContact O-CG2 3.42Å; K11-V15 PolarHBondContact O-N 2.75Å |
| 12 | C | 47.8 | Very low | 57.3 | Low | 64 Ų | 64 | 109.8 Ų | 109.8 | 43% | 0.432 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -59.8 | -46.1 | 179.3 | -62.7 | 0 | 0 | 0 | 0 | 111.9 | N8 A9 T14 V15 V16 | N8-C12 PolarHBondContact O-N 3.26Å; N8-C12 PolarHBondContact O-SG 3.26Å; N8-C12 VanDerWaalsContact O-SG 3.38Å; A9-C12 PolarHBondContact O-N 2.81Å; C12-T14 PolarHBondContact O-N 3.47Å; C12-V15 PolarHBondContact O-N 2.81Å; C12-V16 WeakPolarHBondContact O-CG2 3.2Å; C12-V16 PolarHBondContact O-N 2.75Å |
| 13 | S | 53.2 | Low | 58.1 | Low | 65 Ų | 65 | 109.2 Ų | 109.2 | 46% | 0.455 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -57.2 | -47.4 | 176.9 | -173.5 | 0 | 0 | 0 | 0 | 112.3 | A9 K11 V15 V16 L17 | A9-S13 PolarHBondContact O-N 3.39Å; K11-S13 PolarHBondContact O-N 3.28Å; S13-V15 VanDerWaalsContact C-N 3.34Å; S13-V15 PolarHBondContact O-N 3.47Å; S13-V16 PolarHBondContact O-N 3.47Å; S13-L17 WeakPolarHBondContact O-CG 3.41Å; S13-L17 PolarHBondContact O-N 3.02Å |
| 14 | T | 61.9 | Low | 58.9 | Low | 84 Ų | 84 | 106.5 Ų | 106.5 | 52% | 0.515 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -59.9 | -41.3 | 177.6 | -53.7 | 0 | 0 | 0 | 0 | 112.5 | F10 K11 C12 F18 | F10-T14 PolarHBondContact O-N 3Å; F10-T14 PolarHBondContact O-OG1 3.36Å; K11-T14 PolarHBondContact O-N 2.79Å; C12-T14 PolarHBondContact O-N 3.47Å; T14-F18 WeakPolarHBondContact O-CB 3.38Å; T14-F18 PolarHBondContact O-N 3.3Å |
| 15 | V | 63.5 | Low | 59.5 | Low | 84 Ų | 84 | 107.8 Ų | 107.8 | 51% | 0.509 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.9 | -41.2 | 179.6 | 172 | 0 | 0 | 0 | 0 | 111.8 | K11 C12 S13 F18 L19 | K11-V15 WeakPolarHBondContact O-CG2 3.42Å; K11-V15 PolarHBondContact O-N 2.75Å; C12-V15 PolarHBondContact O-N 2.81Å; S13-V15 VanDerWaalsContact C-N 3.34Å; S13-V15 PolarHBondContact O-N 3.47Å; V15-F18 PolarHBondContact O-N 3.26Å; V15-L19 HydrophobicContact CG1-CD1 3.92Å; V15-L19 HydrophobicContact CG1-CG 4.44Å; V15-L19 WeakPolarHBondContact O-CG 3.31Å; V15-L19 PolarHBondContact O-N 2.61Å |
| 16 | V | 66.1 | Low | 60.2 | Low | 91 Ų | 91 | 101.4 Ų | 101.4 | 55% | 0.552 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.8 | -49.2 | 176.3 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | C12 S13 F18 L19 E20 | C12-V16 WeakPolarHBondContact O-CG2 3.2Å; C12-V16 PolarHBondContact O-N 2.75Å; S13-V16 PolarHBondContact O-N 3.47Å; V16-F18 VanDerWaalsContact C-N 3.29Å; V16-F18 PolarHBondContact O-N 3.08Å; V16-L19 PolarHBondContact O-N 2.83Å; V16-E20 WeakPolarHBondContact O-CB 3.18Å; V16-E20 PolarHBondContact O-N 3.17Å |
| 17 | L | 67.9 | Low | 60.8 | Low | 98 Ų | 98 | 100.8 Ų | 100.8 | 51% | 0.513 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.5 | -36.2 | 177.9 | -69.4 | 170.5 | 0 | 0 | 0 | 112.5 | S13 T21 | S13-L17 WeakPolarHBondContact O-CG 3.41Å; S13-L17 PolarHBondContact O-N 3.02Å; L17-T21 VanDerWaalsContact O-CB 3.26Å; L17-T21 WeakPolarHBondContact O-CB 3.31Å; L17-T21 PolarHBondContact O-N 3.42Å; L17-T21 PolarHBondContact O-OG1 3.09Å |
| 18 | F | 69.2 | Low | 61.4 | Low | 126 Ų | 126 | 102.5 Ų | 102.5 | 55% | 0.553 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.8 | -47.6 | 174.2 | -179.5 | -94 | 0 | 0 | 0 | 111.8 | T14 V15 V16 E20 T21 F22 | T14-F18 WeakPolarHBondContact O-CB 3.38Å; T14-F18 PolarHBondContact O-N 3.3Å; V15-F18 PolarHBondContact O-N 3.26Å; V16-F18 VanDerWaalsContact C-N 3.29Å; V16-F18 PolarHBondContact O-N 3.08Å; F18-E20 PolarHBondContact O-N 2.78Å; F18-T21 PolarHBondContact O-N 3.31Å; F18-F22 VanDerWaalsContact O-CB 3.28Å; F18-F22 WeakPolarHBondContact O-CB 3.29Å; F18-F22 PolarHBondContact O-N 3.44Å |
| 19 | L | 69.6 | Low | 62 | Low | 94 Ų | 94 | 101 Ų | 101 | 49% | 0.492 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 179.3 | -73.9 | 169.4 | 0 | 0 | 0 | 112.3 | V15 V16 F22 R23 | V15-L19 HydrophobicContact CG1-CD1 3.92Å; V15-L19 HydrophobicContact CG1-CG 4.44Å; V15-L19 WeakPolarHBondContact O-CG 3.31Å; V15-L19 PolarHBondContact O-N 2.61Å; V16-L19 PolarHBondContact O-N 2.83Å; L19-F22 PolarHBondContact O-N 3.04Å; L19-R23 WeakPolarHBondContact O-CB 3.4Å; L19-R23 WeakPolarHBondContact O-CG 3.4Å; L19-R23 PolarHBondContact O-N 2.65Å |
| 20 | E | 68.5 | Low | 62.8 | Low | 127 Ų | 127 | 106.9 Ų | 106.9 | 59% | 0.593 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.7 | -46.1 | 175.7 | -174 | 169.4 | -149.7 | 0 | 0 | 111.5 | V16 F18 F22 R23 S24 | V16-E20 WeakPolarHBondContact O-CB 3.18Å; V16-E20 PolarHBondContact O-N 3.17Å; F18-E20 PolarHBondContact O-N 2.78Å; E20-F22 VanDerWaalsContact C-N 3.29Å; E20-F22 PolarHBondContact O-N 2.66Å; E20-R23 PolarHBondContact O-N 2.98Å; E20-S24 WeakPolarHBondContact O-CB 3.3Å; E20-S24 PolarHBondContact O-N 2.86Å |
| 21 | T | 71 | Confident | 63.7 | Low | 70 Ų | 70 | 107.8 Ų | 107.8 | 43% | 0.429 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.6 | -39.8 | 173.8 | -60.2 | 0 | 0 | 0 | 0 | 111.8 | L17 F18 K25 | L17-T21 VanDerWaalsContact O-CB 3.26Å; L17-T21 WeakPolarHBondContact O-CB 3.31Å; L17-T21 PolarHBondContact O-N 3.42Å; L17-T21 PolarHBondContact O-OG1 3.09Å; F18-T21 PolarHBondContact O-N 3.31Å; T21-K25 HydrophobicContact CG2-CD 4.16Å; T21-K25 WeakPolarHBondContact O-CB 3.48Å; T21-K25 WeakPolarHBondContact O-CG 3.42Å; T21-K25 PolarHBondContact O-N 3.26Å |
| 22 | F | 67.6 | Low | 64.4 | Low | 107 Ų | 107 | 104.9 Ų | 104.9 | 47% | 0.469 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.3 | -46.3 | 178.5 | -172.9 | -96.3 | 0 | 0 | 0 | 111.7 | F18 L19 E20 S24 K25 M26 | F18-F22 VanDerWaalsContact O-CB 3.28Å; F18-F22 WeakPolarHBondContact O-CB 3.29Å; F18-F22 PolarHBondContact O-N 3.44Å; L19-F22 PolarHBondContact O-N 3.04Å; E20-F22 VanDerWaalsContact C-N 3.29Å; E20-F22 PolarHBondContact O-N 2.66Å; F22-S24 VanDerWaalsContact C-N 3.34Å; F22-S24 PolarHBondContact O-N 3.18Å; F22-K25 PolarHBondContact O-N 2.96Å; F22-M26 HydrophobicContact CD1-CG 4.04Å; F22-M26 HydrophobicContact CE1-CG 3.68Å; F22-M26 HydrophobicContact CE2-CG 4.39Å; F22-M26 HydrophobicContact CZ-CG 3.87Å; F22-M26 HydrophobicContact CZ-SD 4.29Å; F22-M26 WeakPolarHBondContact O-CB 3.09Å; F22-M26 WeakPolarHBondContact O-CG 3.34Å; F22-M26 PolarHBondContact O-N 3.49Å |
| 23 | R | 66.8 | Low | 65.2 | Low | 198 Ų | 198 | 107.5 Ų | 107.5 | 75% | 0.747 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.6 | -43.8 | 174 | -74.8 | 180 | 70.4 | 174.8 | 1.6 | 111.6 | L19 E20 M26 S27 | L19-R23 WeakPolarHBondContact O-CB 3.4Å; L19-R23 WeakPolarHBondContact O-CG 3.4Å; L19-R23 PolarHBondContact O-N 2.65Å; E20-R23 PolarHBondContact O-N 2.98Å; R23-M26 PolarHBondContact O-N 2.83Å; R23-S27 WeakPolarHBondContact O-CB 3.38Å; R23-S27 PolarHBondContact O-N 3.27Å; R23-S27 PolarHBondContact O-OG 3.21Å |
| 24 | S | 65.8 | Low | 65.8 | Low | 71 Ų | 71 | 108.7 Ų | 108.7 | 50% | 0.497 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.2 | -54.7 | 175.4 | -176.9 | 0 | 0 | 0 | 0 | 111.4 | E20 F22 M26 S27 H28 | E20-S24 WeakPolarHBondContact O-CB 3.3Å; E20-S24 PolarHBondContact O-N 2.86Å; F22-S24 VanDerWaalsContact C-N 3.34Å; F22-S24 PolarHBondContact O-N 3.18Å; S24-M26 PolarHBondContact O-N 3.47Å; S24-S27 PolarHBondContact O-N 3.39Å; S24-S27 PolarHBondContact O-OG 3.46Å; S24-H28 PolarHBondContact O-N 3.05Å |
| 25 | K | 65.7 | Low | 66.2 | Low | 125 Ų | 125 | 110 Ų | 110 | 54% | 0.543 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.1 | -41.2 | 177.6 | -73.4 | 178 | -179.7 | 179.4 | 0 | 113.2 | T21 F22 H28 S29 | T21-K25 HydrophobicContact CG2-CD 4.16Å; T21-K25 WeakPolarHBondContact O-CB 3.48Å; T21-K25 WeakPolarHBondContact O-CG 3.42Å; T21-K25 PolarHBondContact O-N 3.26Å; F22-K25 PolarHBondContact O-N 2.96Å; K25-H28 PolarHBondContact O-N 3.38Å; K25-S29 VanDerWaalsContact O-CB 3.32Å; K25-S29 WeakPolarHBondContact O-CB 3.16Å; K25-S29 PolarHBondContact O-N 3.1Å |
| 26 | M | 64.9 | Low | 66.1 | Low | 106 Ų | 106 | 114.1 Ų | 114.1 | 52% | 0.522 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.8 | -40.1 | 176.8 | -78.1 | -65.4 | -74.8 | 0 | 0 | 112.4 | F22 R23 S24 H28 S29 R30 | F22-M26 HydrophobicContact CD1-CG 4.04Å; F22-M26 HydrophobicContact CE1-CG 3.68Å; F22-M26 HydrophobicContact CE2-CG 4.39Å; F22-M26 HydrophobicContact CZ-CG 3.87Å; F22-M26 HydrophobicContact CZ-SD 4.29Å; F22-M26 WeakPolarHBondContact O-CB 3.09Å; F22-M26 WeakPolarHBondContact O-CG 3.34Å; F22-M26 PolarHBondContact O-N 3.49Å; R23-M26 PolarHBondContact O-N 2.83Å; S24-M26 PolarHBondContact O-N 3.47Å; M26-H28 VanDerWaalsContact C-N 3.35Å; M26-S29 PolarHBondContact O-N 2.99Å; M26-R30 WeakPolarHBondContact O-CB 3.29Å; M26-R30 PolarHBondContact O-N 3.36Å |
| 27 | S | 61.9 | Low | 65.8 | Low | 72 Ų | 72 | 112.9 Ų | 112.9 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.9 | -38.3 | 175.1 | 73.9 | 0 | 0 | 0 | 0 | 112.5 | R23 S24 R31 | R23-S27 WeakPolarHBondContact O-CB 3.38Å; R23-S27 PolarHBondContact O-N 3.27Å; R23-S27 PolarHBondContact O-OG 3.21Å; S24-S27 PolarHBondContact O-N 3.39Å; S24-S27 PolarHBondContact O-OG 3.46Å; S27-R31 WeakPolarHBondContact O-CB 3.23Å; S27-R31 PolarHBondContact O-N 3.45Å |
| 28 | H | 61.5 | Low | 65.3 | Low | 122 Ų | 122 | 116 Ų | 116 | 57% | 0.565 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.3 | -43.8 | 176 | -138.1 | 92.5 | 0 | 0 | 0 | 111.3 | S24 K25 M26 R31 E32 | S24-H28 PolarHBondContact O-N 3.05Å; K25-H28 PolarHBondContact O-N 3.38Å; M26-H28 VanDerWaalsContact C-N 3.35Å; H28-R31 PolarHBondContact O-N 3.03Å; H28-E32 PolarHBondContact O-N 3.36Å |
| 29 | S | 61.6 | Low | 64.8 | Low | 63 Ų | 63 | 113.7 Ų | 113.7 | 44% | 0.441 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 175.1 | -173.7 | 0 | 0 | 0 | 0 | 112.1 | K25 M26 R31 E32 M33 | K25-S29 VanDerWaalsContact O-CB 3.32Å; K25-S29 WeakPolarHBondContact O-CB 3.16Å; K25-S29 PolarHBondContact O-N 3.1Å; M26-S29 PolarHBondContact O-N 2.99Å; S29-R31 PolarHBondContact O-N 3.25Å; S29-E32 PolarHBondContact O-N 3.09Å; S29-M33 WeakPolarHBondContact O-CB 3.45Å; S29-M33 PolarHBondContact O-N 3.3Å |
| 30 | R | 65.3 | Low | 64.1 | Low | 191 Ų | 191 | 115.4 Ų | 115.4 | 72% | 0.721 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.5 | -42.7 | 174.9 | -178.2 | 175.8 | 173.8 | 173.6 | -0.8 | 111.9 | M26 M33 E34 | M26-R30 WeakPolarHBondContact O-CB 3.29Å; M26-R30 PolarHBondContact O-N 3.36Å; R30-M33 PolarHBondContact O-N 3.09Å; R30-E34 WeakPolarHBondContact O-CB 3.47Å; R30-E34 PolarHBondContact O-N 2.93Å |
| 31 | R | 66.4 | Low | 63.4 | Low | 173 Ų | 173 | 115.7 Ų | 115.7 | 65% | 0.653 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.5 | -36.9 | 177.5 | -176.8 | 176.6 | -81.3 | -179.1 | -5.3 | 112.3 | S27 H28 S29 K35 | S27-R31 WeakPolarHBondContact O-CB 3.23Å; S27-R31 PolarHBondContact O-N 3.45Å; H28-R31 PolarHBondContact O-N 3.03Å; S29-R31 PolarHBondContact O-N 3.25Å; R31-K35 WeakPolarHBondContact O-CG 3.46Å; R31-K35 PolarHBondContact O-N 3.26Å; R31-K35 VanDerWaalsContact O-N 3.16Å |
| 32 | E | 66.9 | Low | 62.6 | Low | 71 Ų | 71 | 115 Ų | 115 | 33% | 0.332 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -69.2 | -39.9 | 172.7 | -79.2 | -61.8 | 117 | 0 | 0 | 112.7 | H28 S29 K35 R36 | H28-E32 PolarHBondContact O-N 3.36Å; S29-E32 PolarHBondContact O-N 3.09Å; E32-K35 PolarHBondContact O-N 3.39Å; E32-K35 WeakPolarHBondContact OE1-CD 3.06Å; E32-K35 WeakPolarHBondContact OE1-CE 3.39Å; E32-K35 IonicContact OE1-NZ 2.66Å; E32-K35 PolarHBondContact OE1-NZ 3.44Å; E32-R36 WeakPolarHBondContact O-CG 3.25Å; E32-R36 PolarHBondContact O-N 2.92Å; E32-R36 VanDerWaalsContact O-N 3.13Å |
| 33 | M | 63.4 | Low | 61.9 | Low | 119 Ų | 119 | 115.8 Ų | 115.8 | 59% | 0.586 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.8 | -47.2 | 174 | -172.7 | -172.7 | -65.4 | 0 | 0 | 111 | S29 R30 K35 R36 T37 | S29-M33 WeakPolarHBondContact O-CB 3.45Å; S29-M33 PolarHBondContact O-N 3.3Å; R30-M33 PolarHBondContact O-N 3.09Å; M33-K35 VanDerWaalsContact C-N 3.34Å; M33-K35 PolarHBondContact O-N 3.09Å; M33-R36 WeakPolarHBondContact O-CB 3.31Å; M33-R36 PolarHBondContact O-N 3.4Å; M33-T37 PolarHBondContact O-N 3.42Å; M33-T37 PolarHBondContact O-OG1 3.04Å |
| 34 | E | 65.5 | Low | 60.8 | Low | 90 Ų | 90 | 108.2 Ų | 108.2 | 42% | 0.421 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.6 | -39.1 | 179 | -167.6 | -174.1 | 157.2 | 0 | 0 | 112.4 | R30 R36 T37 R38 | R30-E34 WeakPolarHBondContact O-CB 3.47Å; R30-E34 PolarHBondContact O-N 2.93Å; E34-R36 VanDerWaalsContact C-N 3.34Å; E34-R36 PolarHBondContact O-N 3.47Å; E34-T37 PolarHBondContact O-N 3.5Å; E34-R38 WeakPolarHBondContact O-CB 3.44Å; E34-R38 WeakPolarHBondContact O-CG 3.45Å; E34-R38 PolarHBondContact O-N 3.26Å; E34-R38 IonicContact OE1-CZ 3.17Å; E34-R38 IonicContact OE1-NE 2.78Å; E34-R38 PolarHBondContact OE1-NE 3.01Å; E34-R38 IonicContact OE1-NH2 2.9Å; E34-R38 PolarHBondContact OE1-NH2 2.98Å |
| 35 | K | 71.8 | Confident | 59.8 | Low | 112 Ų | 112 | 108.4 Ų | 108.4 | 49% | 0.487 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.1 | -45.2 | 170.9 | -74.2 | 174.2 | -173.2 | 175.7 | 0 | 111.7 | R31 E32 M33 T39 | R31-K35 WeakPolarHBondContact O-CG 3.46Å; R31-K35 PolarHBondContact O-N 3.26Å; R31-K35 VanDerWaalsContact O-N 3.16Å; E32-K35 PolarHBondContact O-N 3.39Å; E32-K35 WeakPolarHBondContact OE1-CD 3.06Å; E32-K35 WeakPolarHBondContact OE1-CE 3.39Å; E32-K35 IonicContact OE1-NZ 2.66Å; E32-K35 PolarHBondContact OE1-NZ 3.44Å; M33-K35 VanDerWaalsContact C-N 3.34Å; M33-K35 PolarHBondContact O-N 3.09Å; K35-T39 WeakPolarHBondContact O-CB 3.29Å; K35-T39 PolarHBondContact O-N 3.4Å; K35-T39 PolarHBondContact O-OG1 3.12Å |
| 36 | R | 61.7 | Low | 58.8 | Low | 170 Ų | 170 | 112.2 Ų | 112.2 | 64% | 0.642 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.8 | -50.4 | 179.5 | -70 | 175.1 | -172.8 | -152.4 | 0.3 | 110.9 | E32 M33 E34 R38 T39 E40 | E32-R36 WeakPolarHBondContact O-CG 3.25Å; E32-R36 PolarHBondContact O-N 2.92Å; E32-R36 VanDerWaalsContact O-N 3.13Å; M33-R36 WeakPolarHBondContact O-CB 3.31Å; M33-R36 PolarHBondContact O-N 3.4Å; E34-R36 VanDerWaalsContact C-N 3.34Å; E34-R36 PolarHBondContact O-N 3.47Å; R36-R38 VanDerWaalsContact C-N 3.33Å; R36-R38 PolarHBondContact O-N 3.47Å; R36-T39 CarbonylContact O-C 3.55Å; R36-T39 WeakPolarHBondContact O-CA 3.48Å; R36-T39 WeakPolarHBondContact O-CB 3.23Å; R36-T39 PolarHBondContact O-N 2.92Å; R36-E40 WeakPolarHBondContact O-CG 3.37Å; R36-E40 PolarHBondContact O-N 2.89Å |
| 37 | T | 58.9 | Low | 57.6 | Low | 65 Ų | 65 | 113.4 Ų | 113.4 | 40% | 0.399 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.6 | -39.8 | 179.3 | -50 | 0 | 0 | 0 | 0 | 112.3 | M33 E34 T39 E40 Q41 | M33-T37 PolarHBondContact O-N 3.42Å; M33-T37 PolarHBondContact O-OG1 3.04Å; E34-T37 PolarHBondContact O-N 3.5Å; T37-T39 VanDerWaalsContact C-N 3.35Å; T37-E40 PolarHBondContact O-N 2.9Å; T37-Q41 WeakPolarHBondContact O-CB 3.38Å; T37-Q41 WeakPolarHBondContact O-CG 3.44Å; T37-Q41 PolarHBondContact O-N 3.01Å |
| 38 | R | 57.1 | Low | 56.8 | Low | 164 Ų | 164 | 116 Ų | 116 | 62% | 0.619 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.8 | -37.1 | 172 | -71.8 | -174.2 | -169.6 | -147.1 | 6.2 | 112.6 | E34 R36 A42 | E34-R38 WeakPolarHBondContact O-CB 3.44Å; E34-R38 WeakPolarHBondContact O-CG 3.45Å; E34-R38 PolarHBondContact O-N 3.26Å; E34-R38 IonicContact OE1-CZ 3.17Å; E34-R38 IonicContact OE1-NE 2.78Å; E34-R38 PolarHBondContact OE1-NE 3.01Å; E34-R38 IonicContact OE1-NH2 2.9Å; E34-R38 PolarHBondContact OE1-NH2 2.98Å; R36-R38 VanDerWaalsContact C-N 3.33Å; R36-R38 PolarHBondContact O-N 3.47Å; R38-A42 VanDerWaalsContact O-CB 3.3Å; R38-A42 WeakPolarHBondContact O-CB 3.29Å; R38-A42 PolarHBondContact O-N 3.15Å |
| 39 | T | 58.8 | Low | 55.9 | Low | 77 Ų | 77 | 116.3 Ų | 116.3 | 47% | 0.472 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -70.3 | -39.8 | 178.1 | -54.1 | 0 | 0 | 0 | 0 | 111.6 | K35 R36 T37 A42 M43 | K35-T39 WeakPolarHBondContact O-CB 3.29Å; K35-T39 PolarHBondContact O-N 3.4Å; K35-T39 PolarHBondContact O-OG1 3.12Å; R36-T39 CarbonylContact O-C 3.55Å; R36-T39 WeakPolarHBondContact O-CA 3.48Å; R36-T39 WeakPolarHBondContact O-CB 3.23Å; R36-T39 PolarHBondContact O-N 2.92Å; T37-T39 VanDerWaalsContact C-N 3.35Å; T39-A42 PolarHBondContact O-N 3.04Å; T39-M43 HydrophobicContact CG2-CE 4.25Å; T39-M43 PolarHBondContact O-N 3.18Å |
| 40 | E | 55.7 | Low | 55.1 | Low | 130 Ų | 130 | 117.2 Ų | 117.2 | 61% | 0.607 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.1 | -41.8 | 174.4 | -71.9 | 173.6 | 142.6 | 0 | 0 | 111.6 | R36 T37 A42 M43 G44 | R36-E40 WeakPolarHBondContact O-CG 3.37Å; R36-E40 PolarHBondContact O-N 2.89Å; T37-E40 PolarHBondContact O-N 2.9Å; E40-A42 PolarHBondContact O-N 3.37Å; E40-M43 PolarHBondContact O-N 2.88Å; E40-G44 PolarHBondContact O-N 3.39Å |
| 41 | Q | 53.3 | Low | 53.9 | Low | 134 Ų | 134 | 119 Ų | 119 | 63% | 0.626 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.6 | -40.2 | 171.7 | -77 | -176.8 | -19.9 | 0 | 0 | 112.1 | T37 M43 G44 A45 | T37-Q41 WeakPolarHBondContact O-CB 3.38Å; T37-Q41 WeakPolarHBondContact O-CG 3.44Å; T37-Q41 PolarHBondContact O-N 3.01Å; Q41-M43 VanDerWaalsContact C-N 3.33Å; Q41-M43 PolarHBondContact O-N 2.98Å; Q41-G44 PolarHBondContact O-N 2.77Å; Q41-A45 VanDerWaalsContact O-CB 3.22Å; Q41-A45 WeakPolarHBondContact O-CB 3.39Å; Q41-A45 PolarHBondContact O-N 2.72Å |
| 42 | A | 54.5 | Low | 52.8 | Low | 56 Ų | 56 | 116.9 Ų | 116.9 | 46% | 0.463 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.3 | -29.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | R38 T39 E40 | R38-A42 VanDerWaalsContact O-CB 3.3Å; R38-A42 WeakPolarHBondContact O-CB 3.29Å; R38-A42 PolarHBondContact O-N 3.15Å; T39-A42 PolarHBondContact O-N 3.04Å; E40-A42 PolarHBondContact O-N 3.37Å |
| 43 | M | 51.9 | Low | 51.8 | Low | 122 Ų | 122 | 119.3 Ų | 119.3 | 60% | 0.601 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -85.4 | -38.7 | 173.4 | -68.9 | -157.8 | -75.6 | 0 | 0 | 112.5 | T39 E40 Q41 R46 L47 | T39-M43 HydrophobicContact CG2-CE 4.25Å; T39-M43 PolarHBondContact O-N 3.18Å; E40-M43 PolarHBondContact O-N 2.88Å; Q41-M43 VanDerWaalsContact C-N 3.33Å; Q41-M43 PolarHBondContact O-N 2.98Å; M43-R46 PolarHBondContact O-N 3.26Å; M43-R46 VanDerWaalsContact O-N 3.12Å; M43-L47 PolarHBondContact O-N 2.96Å |
| 44 | G | 45.2 | Very low | 50.8 | Low | 39 Ų | 39 | 122 Ų | 122 | 40% | 0.402 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -60.8 | -46.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E40 Q41 R46 L47 | E40-G44 PolarHBondContact O-N 3.39Å; Q41-G44 PolarHBondContact O-N 2.77Å; G44-R46 PolarHBondContact O-N 2.94Å; G44-R46 VanDerWaalsContact O-N 3.16Å; G44-L47 PolarHBondContact O-N 3.14Å; G44-L47 VanDerWaalsContact O-N 3.13Å |
| 45 | A | 44.9 | Very low | 50 | Low | 75 Ų | 75 | 123.6 Ų | 123.6 | 62% | 0.62 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -64 | -18.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q41 | Q41-A45 VanDerWaalsContact O-CB 3.22Å; Q41-A45 WeakPolarHBondContact O-CB 3.39Å; Q41-A45 PolarHBondContact O-N 2.72Å |
| 46 | R | 43.5 | Very low | 48.5 | Very low | 206 Ų | 206 | 122.9 Ų | 122.9 | 78% | 0.777 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -92.2 | -11.5 | 175.7 | -83.7 | -177.2 | 163.4 | -177.1 | -4.5 | 114.6 | M43 G44 | M43-R46 PolarHBondContact O-N 3.26Å; M43-R46 VanDerWaalsContact O-N 3.12Å; G44-R46 PolarHBondContact O-N 2.94Å; G44-R46 VanDerWaalsContact O-N 3.16Å |
| 47 | L | 40.9 | Very low | 47.7 | Very low | 131 Ų | 131 | 120.3 Ų | 120.3 | 69% | 0.686 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -92.9 | -16 | 178.2 | -116.9 | 71.3 | 0 | 0 | 0 | 114 | M43 G44 T49 S50 | M43-L47 PolarHBondContact O-N 2.96Å; G44-L47 PolarHBondContact O-N 3.14Å; G44-L47 VanDerWaalsContact O-N 3.13Å; L47-T49 VanDerWaalsContact C-N 3.26Å; L47-T49 PolarHBondContact O-N 2.99Å; L47-S50 PolarHBondContact O-OG 3.1Å |
| 48 | V | 44.5 | Very low | 46.8 | Very low | 127 Ų | 127 | 127 Ų | 127 | 77% | 0.77 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | 2 | -175.7 | -177.8 | 0 | 0 | 0 | 0 | 112.8 | ||
| 49 | T | 42.9 | Very low | 46.3 | Very low | 127 Ų | 127 | 125.7 Ų | 125.7 | 78% | 0.779 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.5 | 16.3 | 176.1 | 52.8 | 0 | 0 | 0 | 0 | 114.2 | L47 | L47-T49 VanDerWaalsContact C-N 3.26Å; L47-T49 PolarHBondContact O-N 2.99Å |
| 50 | S | 43.4 | Very low | 45.5 | Very low | 82 Ų | 82 | 127 Ų | 127 | 57% | 0.573 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -100.2 | 129.6 | 169.7 | 27.3 | 0 | 0 | 0 | 0 | 111.7 | L47 | L47-S50 PolarHBondContact O-OG 3.1Š|
| 51 | R | 41.7 | Very low | 44.6 | Very low | 230 Ų | 230 | 125.3 Ų | 125.3 | 87% | 0.868 | 71% | 0.705 | S | S | * | * | trans | -57.2 | 147.1 | -177.4 | -68.8 | 175.9 | 173.2 | 172.7 | -3.7 | 112.4 | V53 | R51-V53 PolarHBondContact O-N 3.29Š| ||
| 52 | P | 43 | Very low | 43.8 | Very low | 128 Ų | 128 | 124.7 Ų | 124.7 | 83% | 0.831 | 72% | 0.715 | S | S | * | * | trans | -66.7 | 102.6 | 168.7 | 28.8 | -33.7 | 0 | 0 | 0 | 110 | Q54 | P52-Q54 PolarHBondContact O-N 2.88Š| ||
| 53 | V | 44.6 | Very low | 43.3 | Very low | 122 Ų | 122 | 128.1 Ų | 128.1 | 74% | 0.739 | 73% | 0.731 | S | S | * | * | trans | -74.4 | 114.6 | 169.2 | 177 | 0 | 0 | 0 | 0 | 107.8 | R51 V55 | R51-V53 PolarHBondContact O-N 3.29Å; V53-V55 PolarHBondContact O-N 2.82Å | ||
| 54 | Q | 44 | Very low | 42.8 | Very low | 176 Ų | 176 | 127.4 Ų | 127.4 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | trans | -66.8 | 102.6 | 171.8 | -72.9 | -176 | -17.3 | 0 | 0 | 109.6 | P52 S56 | P52-Q54 PolarHBondContact O-N 2.88Å; Q54-S56 VanDerWaalsContact C-N 3.34Å; Q54-S56 PolarHBondContact O-N 3.08Å; Q54-S56 VanDerWaalsContact O-N 3.12Å | ||
| 55 | V | 48 | Very low | 42.4 | Very low | 122 Ų | 122 | 128.7 Ų | 128.7 | 74% | 0.739 | 76% | 0.757 | S | S | * | * | trans | -81.8 | 85.1 | 169.8 | -174.8 | 0 | 0 | 0 | 0 | 108 | V53 T57 | V53-V55 PolarHBondContact O-N 2.82Å; V55-T57 PolarHBondContact O-N 3.07Å | ||
| 56 | S | 39.2 | Very low | 42.3 | Very low | 98 Ų | 98 | 133.4 Ų | 133.4 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | trans | -66 | 96.5 | 174.9 | -62.5 | 0 | 0 | 0 | 0 | 110.8 | Q54 K58 | Q54-S56 VanDerWaalsContact C-N 3.34Å; Q54-S56 PolarHBondContact O-N 3.08Å; Q54-S56 VanDerWaalsContact O-N 3.12Å; S56-K58 PolarHBondContact O-N 3.2Å | ||
| 57 | T | 45.1 | Very low | 42.2 | Very low | 115 Ų | 115 | 129.6 Ų | 129.6 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | -63.5 | 102.9 | 165.3 | 36.1 | 0 | 0 | 0 | 0 | 109.3 | V55 I59 | V55-T57 PolarHBondContact O-N 3.07Å; T57-I59 VanDerWaalsContact C-N 3.29Å; T57-I59 PolarHBondContact O-N 2.87Å | ||
| 58 | K | 41.1 | Very low | 42 | Very low | 205 Ų | 205 | 128.9 Ų | 128.9 | 89% | 0.891 | 78% | 0.782 | S | S | * | * | trans | -67.3 | 87.3 | 171.3 | -76.9 | -171.7 | 174.7 | -175.9 | 0 | 110 | S56 A60 | S56-K58 PolarHBondContact O-N 3.2Å; K58-A60 PolarHBondContact O-N 2.71Å | ||
| 59 | I | 46.5 | Very low | 42.2 | Very low | 138 Ų | 138 | 128 Ų | 128 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | trans | -71 | 115.8 | 163.1 | -49.4 | 176.6 | 0 | 0 | 0 | 106.5 | T57 S61 | T57-I59 VanDerWaalsContact C-N 3.29Å; T57-I59 PolarHBondContact O-N 2.87Å; I59-S61 PolarHBondContact O-N 2.74Å | ||
| 60 | A | 41.1 | Very low | 42.2 | Very low | 104 Ų | 104 | 131 Ų | 131 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | -79.2 | 63.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K58 S62 | K58-A60 PolarHBondContact O-N 2.71Å; A60-S62 VanDerWaalsContact C-N 3.33Å; A60-S62 PolarHBondContact O-N 3.05Å | ||
| 61 | S | 37.6 | Very low | 42.2 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 66% | 0.664 | 79% | 0.792 | S | S | * | * | trans | -79 | 77.5 | 176.8 | -59.6 | 0 | 0 | 0 | 0 | 111 | I59 | I59-S61 PolarHBondContact O-N 2.74Š| ||
| 62 | S | 36.7 | Very low | 42.4 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | trans | -79.8 | 117.7 | 171.6 | -161.9 | 0 | 0 | 0 | 0 | 110 | A60 | A60-S62 VanDerWaalsContact C-N 3.33Å; A60-S62 PolarHBondContact O-N 3.05Å | ||
| 63 | T | 43.4 | Very low | 42.4 | Very low | 128 Ų | 128 | 133 Ų | 133 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -125.5 | 160.5 | 176.9 | 42.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 64 | A | 41.3 | Very low | 42.3 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | trans | 69.6 | 134.1 | -166.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 65 | G | 37.6 | Very low | 42.3 | Very low | 65 Ų | 65 | 129.4 Ų | 129.4 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | cis | 179.5 | 167.8 | -8.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 66 | I | 41.2 | Very low | 42.2 | Very low | 175 Ų | 175 | 129.4 Ų | 129.4 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | 46.5 | 95.4 | 156.1 | 58.5 | 154.1 | 0 | 0 | 0 | 121.1 | ||||
| 67 | S | 42.3 | Very low | 42.5 | Very low | 126 Ų | 126 | 129.7 Ų | 129.7 | 88% | 0.881 | 79% | 0.788 | S | S | * | * | -159 | 153 | 128.7 | 56.9 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 68 | S | 37.1 | Very low | 42.4 | Very low | 116 Ų | 116 | 130.7 Ų | 130.7 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | -122.6 | -166.5 | -169.7 | -150.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 69 | P | 48.3 | Very low | 42.4 | Very low | 109 Ų | 109 | 124.4 Ų | 124.4 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | -130.2 | 168.7 | -102.6 | 42.4 | -26.4 | 0 | 0 | 0 | 115.4 | |||||
| 70 | E | 42.4 | Very low | 42.2 | Very low | 190 Ų | 190 | 123 Ų | 123 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | trans | -176.8 | 155.9 | 158.8 | -105.1 | 169.2 | 150.6 | 0 | 0 | 106.6 | ||||
| 71 | E | 43.4 | Very low | 42.6 | Very low | 158 Ų | 158 | 125.1 Ų | 125.1 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | cis | -177.2 | 158.7 | -33.5 | 179.3 | 176.8 | -132.7 | 0 | 0 | 103.9 | ||||
| 72 | K | 46.2 | Very low | 43 | Very low | 191 Ų | 191 | 126.2 Ų | 126.2 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | trans | 96.5 | 98.8 | -177.5 | -59.5 | 163.1 | 179.8 | 166.1 | 0 | 113.1 | ||||
| 73 | V | 44.4 | Very low | 43.2 | Very low | 131 Ų | 131 | 126.5 Ų | 126.5 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | cis | 85 | 123.7 | 48.9 | -178.9 | 0 | 0 | 0 | 0 | 112.9 | L75 | V73-L75 HydrophobicContact CG1-CD1 4.28Š| ||
| 74 | G | 41.1 | Very low | 43.3 | Very low | 68 Ų | 68 | 126.8 Ų | 126.8 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | 129.3 | 79.5 | -173 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 75 | L | 44.2 | Very low | 43.1 | Very low | 155 Ų | 155 | 125.1 Ų | 125.1 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | 58.4 | 119.9 | 56.4 | -57.3 | -179.8 | 0 | 0 | 0 | 111.7 | V73 | V73-L75 HydrophobicContact CG1-CD1 4.28Š| |||
| 76 | T | 46.6 | Very low | 43 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | cis | -144.8 | -168.6 | 1.4 | 68.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 77 | S | 44.5 | Very low | 43 | Very low | 104 Ų | 104 | 123.9 Ų | 123.9 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | cis | -155.3 | 140.3 | 5.1 | -95 | 0 | 0 | 0 | 0 | 110 | ||||
| 78 | P | 43.3 | Very low | 43.1 | Very low | 137 Ų | 137 | 124.4 Ų | 124.4 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | trans | -119.3 | 143.1 | 164 | 36.8 | -26 | 0 | 0 | 0 | 114.1 | ||||
| 79 | G | 41.8 | Very low | 43.3 | Very low | 73 Ų | 73 | 127 Ų | 127 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | trans | 167.4 | 153.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 80 | S | 41.5 | Very low | 42.9 | Very low | 107 Ų | 107 | 127 Ų | 127 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | cis | -138.7 | 147.4 | 10.5 | -76.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 81 | L | 50.8 | Low | 43 | Very low | 149 Ų | 149 | 124.7 Ų | 124.7 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | 53.5 | 135.6 | 72.6 | -49.2 | 173.1 | 0 | 0 | 0 | 113.1 | |||||
| 82 | T | 44.8 | Very low | 42.7 | Very low | 119 Ų | 119 | 127.5 Ų | 127.5 | 73% | 0.73 | 78% | 0.782 | S | S | * | * | cis | -172.9 | 157.4 | -5.6 | 16 | 0 | 0 | 0 | 0 | 109 | ||||
| 83 | S | 41.3 | Very low | 42.8 | Very low | 125 Ų | 125 | 123.9 Ų | 123.9 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | -175.7 | 124.6 | 142.9 | -84 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 84 | P | 44.7 | Very low | 42.5 | Very low | 135 Ų | 135 | 122.4 Ų | 122.4 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | trans | -120.3 | 169.6 | 174.7 | 41 | -30.9 | 0 | 0 | 0 | 114.9 | ||||
| 85 | G | 37.5 | Very low | 42.5 | Very low | 73 Ų | 73 | 124.1 Ų | 124.1 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | 147.6 | 124.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 86 | S | 36 | Very low | 41.9 | Very low | 121 Ų | 121 | 119.4 Ų | 119.4 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | cis | 92.5 | 104 | 30.8 | -172.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 87 | S | 41.7 | Very low | 41.6 | Very low | 92 Ų | 92 | 124.3 Ų | 124.3 | 64% | 0.643 | 78% | 0.776 | S | S | * | * | -176.9 | 149.5 | 115 | -126.3 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 88 | D | 43.3 | Very low | 41.4 | Very low | 138 Ų | 138 | 129.8 Ų | 129.8 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | trans | 49.5 | 152.3 | 144.8 | -57 | -46.6 | 0 | 0 | 0 | 122.7 | ||||
| 89 | Q | 41.2 | Very low | 41.1 | Very low | 171 Ų | 171 | 134.3 Ų | 134.3 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | cis | -169.3 | 165.4 | -33.2 | -112.1 | -110.5 | -20.6 | 0 | 0 | 106.4 | ||||
| 90 | P | 40.7 | Very low | 41.1 | Very low | 107 Ų | 107 | 136.3 Ų | 136.3 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | trans | -103.1 | 140.6 | -163.9 | 36.5 | -29.9 | 0 | 0 | 0 | 115.4 | ||||
| 91 | V | 43.8 | Very low | 41 | Very low | 142 Ų | 142 | 141.4 Ų | 141.4 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | -137.1 | 132.2 | 166.7 | -176.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 92 | R | 37.5 | Very low | 40.8 | Very low | 217 Ų | 217 | 138.5 Ų | 138.5 | 82% | 0.819 | 79% | 0.789 | S | S | * | * | trans | -119.8 | 112 | 173.4 | 174.5 | -167.9 | 176.8 | -173.1 | 1.7 | 109.9 | ||||
| 93 | P | 48.7 | Very low | 40.9 | Very low | 116 Ų | 116 | 138.1 Ų | 138.1 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | trans | -74.9 | 149.5 | 167.2 | -15.6 | 31.5 | 0 | 0 | 0 | 111.6 | ||||
| 94 | S | 36.8 | Very low | 41 | Very low | 100 Ų | 100 | 144.8 Ų | 144.8 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | trans | -141.1 | 93.1 | 169.4 | -72.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 95 | A | 41.8 | Very low | 40.6 | Very low | 103 Ų | 103 | 141.3 Ų | 141.3 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | trans | -160.9 | 153.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 96 | G | 32.6 | Very low | 41.1 | Very low | 56 Ų | 56 | 143 Ų | 143 | 58% | 0.577 | 77% | 0.774 | S | S | * | * | cis | 144.8 | 154.4 | 10.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 97 | Y | 39 | Very low | 41.8 | Very low | 226 Ų | 226 | 144.6 Ų | 144.6 | 89% | 0.886 | 77% | 0.772 | S | S | * | * | trans | 66.6 | 153.9 | -175.9 | -47.1 | -81.4 | 0 | 0 | 0 | 115.9 | ||||
| 98 | R | 40.9 | Very low | 42.2 | Very low | 218 Ų | 218 | 144.2 Ų | 144.2 | 82% | 0.823 | 77% | 0.774 | S | S | * | * | -178.9 | 127.1 | -52 | -103.9 | -89 | -162.4 | -177.5 | 5.8 | 106.2 | |||||
| 99 | R | 36.6 | Very low | 42.5 | Very low | 232 Ų | 232 | 143.9 Ų | 143.9 | 88% | 0.875 | 77% | 0.768 | S | S | * | * | trans | 67.6 | 157.9 | 177.3 | -62.1 | 178.3 | 174.5 | 166.5 | -2 | 112.9 | ||||
| 100 | S | 41.3 | Very low | 42.6 | Very low | 115 Ų | 115 | 139 Ų | 139 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | cis | -122.6 | 158.1 | 16.7 | -70.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 101 | K | 40.5 | Very low | 43 | Very low | 214 Ų | 214 | 143.2 Ų | 143.2 | 93% | 0.93 | 76% | 0.76 | S | S | * | * | trans | -74.7 | 133.2 | 171.3 | -63.2 | 179.5 | 177.6 | -177.3 | 0 | 109.5 | ||||
| 102 | A | 45.3 | Very low | 43.4 | Very low | 89 Ų | 89 | 143.2 Ų | 143.2 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | trans | -121.6 | 124.6 | 158.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 103 | P | 47.7 | Very low | 44 | Very low | 111 Ų | 111 | 140.6 Ų | 140.6 | 72% | 0.721 | 76% | 0.757 | S | S | * | * | trans | -78 | 133.2 | -174 | 32 | -34.8 | 0 | 0 | 0 | 111.1 | S105 | P103-S105 PolarHBondContact O-N 3.45Š| ||
| 104 | R | 44.2 | Very low | 44 | Very low | 264 Ų | 264 | 140.6 Ų | 140.6 | 100% | 0.996 | 76% | 0.755 | S | S | * | * | trans | -79.3 | 66.7 | 171.7 | -73.8 | 177.8 | 58.6 | 130.8 | -1.7 | 110.3 | ||||
| 105 | S | 36.4 | Very low | 44.3 | Very low | 63 Ų | 63 | 139 Ų | 139 | 44% | 0.441 | 75% | 0.754 | S | S | . | * | trans | -144.5 | 91.4 | -176.5 | 57.5 | 0 | 0 | 0 | 0 | 111.6 | P103 | P103-S105 PolarHBondContact O-N 3.45Š| ||
| 106 | S | 47.7 | Very low | 44.5 | Very low | 109 Ų | 109 | 141.6 Ų | 141.6 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -151.6 | -18 | 169 | 61.7 | 0 | 0 | 0 | 0 | 114.8 | ||
| 107 | L | 49.1 | Very low | 45 | Very low | 154 Ų | 154 | 145.1 Ų | 145.1 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -93.1 | -25.7 | 178.6 | -151.5 | 77.2 | 0 | 0 | 0 | 114 | ||
| 108 | A | 51.3 | Low | 45.2 | Very low | 83 Ų | 83 | 137.5 Ų | 137.5 | 69% | 0.686 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -83.2 | -26.9 | -176 | 0 | 0 | 0 | 0 | 0 | 113.8 | A110 | A108-A110 VanDerWaalsContact C-N 3.32Å; A108-A110 PolarHBondContact O-N 2.91Å |
| 109 | Q | 49.5 | Very low | 45.1 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 62% | 0.617 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -2.9 | -177.1 | -71.6 | 177 | -50.6 | 0 | 0 | 113.9 | Y111 | Q109-Y111 PolarHBondContact O-N 3.11Š|
| 110 | A | 42.8 | Very low | 45.2 | Very low | 67 Ų | 67 | 131.4 Ų | 131.4 | 55% | 0.554 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -12.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | A108 | A108-A110 VanDerWaalsContact C-N 3.32Å; A108-A110 PolarHBondContact O-N 2.91Å |
| 111 | Y | 50 | Low | 45.3 | Very low | 197 Ų | 197 | 132.1 Ų | 132.1 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -98.6 | -21.5 | -175.5 | -69.5 | -82.2 | 0 | 0 | 0 | 114.3 | Q109 L113 | Q109-Y111 PolarHBondContact O-N 3.11Å; Y111-L113 VanDerWaalsContact C-N 3.3Å; Y111-L113 PolarHBondContact O-N 3.29Å |
| 112 | D | 50.8 | Low | 45.3 | Very low | 142 Ų | 142 | 125.1 Ų | 125.1 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -6.5 | -178.3 | -73 | -34.8 | 0 | 0 | 0 | 114.1 | ||
| 113 | L | 51 | Low | 45.2 | Very low | 161 Ų | 161 | 126.2 Ų | 126.2 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | 1.4 | -172.3 | -138 | 77.1 | 0 | 0 | 0 | 115.2 | Y111 G115 | Y111-L113 VanDerWaalsContact C-N 3.3Å; Y111-L113 PolarHBondContact O-N 3.29Å; L113-G115 PolarHBondContact O-N 2.79Å; L113-G115 VanDerWaalsContact O-N 3.16Å |
| 114 | V | 49.6 | Very low | 45 | Very low | 117 Ų | 117 | 129.7 Ų | 129.7 | 71% | 0.709 | 77% | 0.765 | S | S | * | * | trans | -88.6 | 42.7 | 174.7 | -163 | 0 | 0 | 0 | 0 | 110.7 | L116 | V114-L116 PolarHBondContact O-N 3.24Š| ||
| 115 | G | 41.9 | Very low | 44.7 | Very low | 66 Ų | 66 | 121 Ų | 121 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | trans | -79.6 | 61.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L113 S117 | L113-G115 PolarHBondContact O-N 2.79Å; L113-G115 VanDerWaalsContact O-N 3.16Å; G115-S117 PolarHBondContact O-N 2.62Å | ||
| 116 | L | 46.5 | Very low | 45.2 | Very low | 158 Ų | 158 | 126.2 Ų | 126.2 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | trans | -88.8 | 101.2 | 175.8 | -69.5 | -179 | 0 | 0 | 0 | 110.7 | V114 | V114-L116 PolarHBondContact O-N 3.24Š| ||
| 117 | S | 42 | Very low | 45.3 | Very low | 129 Ų | 129 | 130.4 Ų | 130.4 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | trans | -51 | 138.6 | 169 | -49.1 | 0 | 0 | 0 | 0 | 111.9 | G115 | G115-S117 PolarHBondContact O-N 2.62Š| ||
| 118 | G | 43.6 | Very low | 45.6 | Very low | 67 Ų | 67 | 132.3 Ų | 132.3 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | trans | -167.9 | 37.6 | -173 | 0 | 0 | 0 | 0 | 0 | 115.2 | S120 | G118-S120 PolarHBondContact O-N 3.11Š| ||
| 119 | E | 38.5 | Very low | 46.2 | Very low | 201 Ų | 201 | 130.5 Ų | 130.5 | 94% | 0.939 | 78% | 0.777 | S | S | * | * | trans | -1.4 | 104.1 | 156.4 | 45.3 | -177.2 | 37.5 | 0 | 0 | 117.9 | ||||
| 120 | S | 40.3 | Very low | 47.2 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | trans | -148.3 | 124.6 | 158.8 | -171.9 | 0 | 0 | 0 | 0 | 110.1 | G118 | G118-S120 PolarHBondContact O-N 3.11Š| ||
| 121 | S | 42.6 | Very low | 49 | Very low | 130 Ų | 130 | 132 Ų | 132 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | trans | -102.7 | 123.8 | 179.6 | -66.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 122 | G | 40.8 | Very low | 50.4 | Low | 66 Ų | 66 | 125.3 Ų | 125.3 | 68% | 0.68 | 75% | 0.749 | S | S | * | * | trans | 170.2 | 123.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 123 | S | 42.4 | Very low | 51.9 | Low | 113 Ų | 113 | 123.3 Ų | 123.3 | 79% | 0.79 | 74% | 0.738 | S | S | * | * | trans | 63.2 | 132.3 | 156.4 | 56.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 124 | E | 44.5 | Very low | 53.4 | Low | 183 Ų | 183 | 121.4 Ų | 121.4 | 86% | 0.855 | 73% | 0.725 | S | S | * | * | trans | 46.1 | 86.8 | 144.1 | -65.3 | -176.5 | 84.8 | 0 | 0 | 120.1 | H126 | E124-H126 VanDerWaalsContact C-N 3.32Å; E124-H126 PolarHBondContact O-N 2.8Å | ||
| 125 | G | 37 | Very low | 54.8 | Low | 82 Ų | 82 | 119.9 Ų | 119.9 | 85% | 0.845 | 71% | 0.713 | S | S | * | * | 75.7 | 9.1 | 94.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 126 | H | 47.2 | Very low | 56.8 | Low | 173 Ų | 173 | 121.2 Ų | 121.2 | 80% | 0.801 | 70% | 0.702 | S | S | * | * | trans | -85.1 | 137.9 | 153 | -90.7 | 43.1 | 0 | 0 | 0 | 109.9 | E124 E128 | E124-H126 VanDerWaalsContact C-N 3.32Å; E124-H126 PolarHBondContact O-N 2.8Å; H126-E128 PolarHBondContact O-N 2.92Å; H126-E128 VanDerWaalsContact O-N 3.11Å | ||
| 127 | Q | 50.6 | Low | 58.4 | Low | 197 Ų | 197 | 120 Ų | 120 | 92% | 0.921 | 69% | 0.69 | S | S | * | * | trans | -70.5 | 105 | 162.5 | -77.9 | -170.3 | -11.9 | 0 | 0 | 107.7 | G129 | Q127-G129 PolarHBondContact O-N 3.43Š| ||
| 128 | E | 53.9 | Low | 60.1 | Low | 194 Ų | 194 | 117.3 Ų | 117.3 | 91% | 0.907 | 67% | 0.665 | S | S | * | * | trans | -69.5 | 62.4 | 161.5 | -64.4 | -167.6 | 132.5 | 0 | 0 | 109.9 | H126 S130 | H126-E128 PolarHBondContact O-N 2.92Å; H126-E128 VanDerWaalsContact O-N 3.11Å; E128-S130 PolarHBondContact O-N 3.09Å | ||
| 129 | G | 64 | Low | 61.8 | Low | 45 Ų | 45 | 119.5 Ų | 119.5 | 46% | 0.464 | 67% | 0.665 | S | S | . | * | trans | -58.4 | 122.9 | 154.5 | 0 | 0 | 0 | 0 | 0 | 106.3 | Q127 W131 | Q127-G129 PolarHBondContact O-N 3.43Å; G129-W131 PolarHBondContact O-N 3.09Å | ||
| 130 | S | 71 | Confident | 63.9 | Low | 44 Ų | 44 | 117.7 Ų | 117.7 | 31% | 0.308 | 65% | 0.654 | S | S | . | * | trans | -55.1 | 146.1 | -172.9 | 177.2 | 0 | 0 | 0 | 0 | 109.9 | E128 T132 D133 E134 | E128-S130 PolarHBondContact O-N 3.09Å; S130-T132 VanDerWaalsContact CB-OG1 3.31Å; S130-T132 WeakPolarHBondContact CB-OG1 3.48Å; S130-T132 PolarHBondContact O-N 3.42Å; S130-T132 PolarHBondContact OG-N 3.12Å; S130-T132 PolarHBondContact OG-OG1 3.35Å; S130-D133 WeakPolarHBondContact CB-OD2 3.46Å; S130-D133 PolarHBondContact N-OD2 3.43Å; S130-D133 WeakPolarHBondContact O-CA 3.34Å; S130-D133 WeakPolarHBondContact O-CB 3.31Å; S130-D133 PolarHBondContact O-N 3.24Å; S130-E134 PolarHBondContact O-N 2.9Å | ||
| 131 | W | 80.5 | Confident | 65.7 | Low | 186 Ų | 186 | 113.8 Ų | 113.8 | 71% | 0.705 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -55.4 | -24.9 | 172.2 | 64.6 | -88.6 | 0 | 0 | 0 | 111.5 | G129 L135 | G129-W131 PolarHBondContact O-N 3.09Å; W131-L135 HydrophobicContact CE3-CD1 3.59Å; W131-L135 HydrophobicContact CZ3-CD1 3.63Å; W131-L135 WeakPolarHBondContact O-CB 3.49Å; W131-L135 VanDerWaalsContact O-CG 3.29Å; W131-L135 WeakPolarHBondContact O-CG 3.47Å; W131-L135 PolarHBondContact O-N 3Å |
| 132 | T | 79.8 | Confident | 67.5 | Low | 57 Ų | 57 | 110.6 Ų | 110.6 | 35% | 0.35 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -67.9 | -37.6 | 169.2 | 56.5 | 0 | 0 | 0 | 0 | 113.1 | S130 L135 M136 | S130-T132 VanDerWaalsContact CB-OG1 3.31Å; S130-T132 WeakPolarHBondContact CB-OG1 3.48Å; S130-T132 PolarHBondContact O-N 3.42Å; S130-T132 PolarHBondContact OG-N 3.12Å; S130-T132 PolarHBondContact OG-OG1 3.35Å; T132-L135 PolarHBondContact O-N 3.23Å; T132-M136 VanDerWaalsContact O-CB 3.31Å; T132-M136 WeakPolarHBondContact O-CB 3.32Å; T132-M136 WeakPolarHBondContact O-CG 3.31Å; T132-M136 PolarHBondContact O-N 2.93Å |
| 133 | D | 83.3 | Confident | 69.4 | Low | 100 Ų | 100 | 113.8 Ų | 113.8 | 54% | 0.535 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -73.5 | -37.7 | 177.4 | -63.6 | -44.1 | 0 | 0 | 0 | 111.5 | S130 M136 K137 | S130-D133 WeakPolarHBondContact CB-OD2 3.46Å; S130-D133 PolarHBondContact N-OD2 3.43Å; S130-D133 WeakPolarHBondContact O-CA 3.34Å; S130-D133 WeakPolarHBondContact O-CB 3.31Å; S130-D133 PolarHBondContact O-N 3.24Å; D133-M136 PolarHBondContact O-N 2.83Å; D133-K137 WeakPolarHBondContact O-CB 3.31Å; D133-K137 PolarHBondContact O-N 3.46Å |
| 134 | E | 81 | Confident | 71.2 | Confident | 120 Ų | 120 | 112.9 Ų | 112.9 | 56% | 0.561 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -60.4 | -47.1 | 168.8 | -71.4 | -127.2 | 118.4 | 0 | 0 | 111.3 | S130 M136 K137 I138 | S130-E134 PolarHBondContact O-N 2.9Å; E134-M136 PolarHBondContact O-N 3.34Å; E134-K137 WeakPolarHBondContact O-CB 3.3Å; E134-K137 PolarHBondContact O-N 3.02Å; E134-I138 WeakPolarHBondContact O-CD1 3.14Å; E134-I138 VanDerWaalsContact O-CG1 3.25Å; E134-I138 WeakPolarHBondContact O-CG1 3.23Å; E134-I138 PolarHBondContact O-N 3.43Å |
| 135 | L | 79.8 | Confident | 72.8 | Confident | 86 Ų | 86 | 109 Ų | 109 | 45% | 0.45 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.4 | -41.9 | 174.5 | -76.7 | 177.1 | 0 | 0 | 0 | 112.4 | W131 T132 K137 I138 V139 | W131-L135 HydrophobicContact CE3-CD1 3.59Å; W131-L135 HydrophobicContact CZ3-CD1 3.63Å; W131-L135 WeakPolarHBondContact O-CB 3.49Å; W131-L135 VanDerWaalsContact O-CG 3.29Å; W131-L135 WeakPolarHBondContact O-CG 3.47Å; W131-L135 PolarHBondContact O-N 3Å; T132-L135 PolarHBondContact O-N 3.23Å; L135-K137 VanDerWaalsContact C-N 3.31Å; L135-K137 PolarHBondContact O-N 3.45Å; L135-I138 HydrophobicContact CD2-CD1 4.41Å; L135-I138 PolarHBondContact O-N 3.45Å; L135-V139 WeakPolarHBondContact O-CB 3.48Å; L135-V139 VanDerWaalsContact O-CG2 3.31Å; L135-V139 WeakPolarHBondContact O-CG2 3.42Å; L135-V139 PolarHBondContact O-N 3.04Å |
| 136 | M | 83.4 | Confident | 74.8 | Confident | 94 Ų | 94 | 106.8 Ų | 106.8 | 46% | 0.463 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.3 | -29.6 | 177.5 | -73.1 | -61.3 | -70.2 | 0 | 0 | 112.1 | T132 D133 E134 K140 | T132-M136 VanDerWaalsContact O-CB 3.31Å; T132-M136 WeakPolarHBondContact O-CB 3.32Å; T132-M136 WeakPolarHBondContact O-CG 3.31Å; T132-M136 PolarHBondContact O-N 2.93Å; D133-M136 PolarHBondContact O-N 2.83Å; E134-M136 PolarHBondContact O-N 3.34Å; M136-K140 VanDerWaalsContact O-CB 3.29Å; M136-K140 WeakPolarHBondContact O-CB 3.4Å; M136-K140 WeakPolarHBondContact O-CD 3.48Å; M136-K140 WeakPolarHBondContact O-CG 3.37Å; M136-K140 PolarHBondContact O-N 3.41Å |
| 137 | K | 81.1 | Confident | 76.4 | Confident | 131 Ų | 131 | 102.2 Ų | 102.2 | 57% | 0.57 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.4 | -42.6 | 168.6 | -175.6 | -179.7 | -178.9 | -177.7 | 0 | 110.7 | D133 E134 L135 K140 E141 | D133-K137 WeakPolarHBondContact O-CB 3.31Å; D133-K137 PolarHBondContact O-N 3.46Å; E134-K137 WeakPolarHBondContact O-CB 3.3Å; E134-K137 PolarHBondContact O-N 3.02Å; L135-K137 VanDerWaalsContact C-N 3.31Å; L135-K137 PolarHBondContact O-N 3.45Å; K137-K140 PolarHBondContact O-N 3.07Å; K137-E141 WeakPolarHBondContact O-CB 3.37Å; K137-E141 PolarHBondContact O-N 3.38Å; K137-E141 VanDerWaalsContact O-N 3.09Å |
| 138 | I | 76.3 | Confident | 77.9 | Confident | 74 Ų | 74 | 96 Ų | 96 | 38% | 0.379 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.2 | -42 | 174 | -65.4 | 157.5 | 0 | 0 | 0 | 111.9 | E134 L135 E141 | E134-I138 WeakPolarHBondContact O-CD1 3.14Å; E134-I138 VanDerWaalsContact O-CG1 3.25Å; E134-I138 WeakPolarHBondContact O-CG1 3.23Å; E134-I138 PolarHBondContact O-N 3.43Å; L135-I138 HydrophobicContact CD2-CD1 4.41Å; L135-I138 PolarHBondContact O-N 3.45Å; I138-E141 PolarHBondContact O-N 3.36Å |
| 139 | V | 79.4 | Confident | 79.1 | Confident | 113 Ų | 113 | 89.4 Ų | 89.4 | 69% | 0.685 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -72.3 | -28.4 | -179.9 | 169.8 | 0 | 0 | 0 | 0 | 112.9 | L135 | L135-V139 WeakPolarHBondContact O-CB 3.48Å; L135-V139 VanDerWaalsContact O-CG2 3.31Å; L135-V139 WeakPolarHBondContact O-CG2 3.42Å; L135-V139 PolarHBondContact O-N 3.04Å |
| 140 | K | 83.9 | Confident | 79.9 | Confident | 162 Ų | 162 | 92.9 Ų | 92.9 | 70% | 0.704 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -85.2 | -18.7 | 176.4 | -73.2 | 169.7 | -177.1 | 172.4 | 0 | 113.9 | M136 K137 | M136-K140 VanDerWaalsContact O-CB 3.29Å; M136-K140 WeakPolarHBondContact O-CB 3.4Å; M136-K140 WeakPolarHBondContact O-CD 3.48Å; M136-K140 WeakPolarHBondContact O-CG 3.37Å; M136-K140 PolarHBondContact O-N 3.41Å; K137-K140 PolarHBondContact O-N 3.07Å |
| 141 | E | 77 | Confident | 80.4 | Confident | 39 Ų | 39 | 97.3 Ų | 97.3 | 18% | 0.182 | 48% | 0.481 | C | S | . | . | S | Bend | trans | -75.7 | 138 | -174.7 | -164.8 | -176.1 | -91.5 | 0 | 0 | 111.7 | K137 I138 M143 E145 T146 R149 | K137-E141 WeakPolarHBondContact O-CB 3.37Å; K137-E141 PolarHBondContact O-N 3.38Å; K137-E141 VanDerWaalsContact O-N 3.09Å; I138-E141 PolarHBondContact O-N 3.36Å; E141-M143 PolarHBondContact O-N 3.34Å; E141-E145 HydrophobicContact CG-CB 3.66Å; E141-E145 VanDerWaalsContact CG-OE2 3.3Å; E141-E145 WeakPolarHBondContact CG-OE2 3.39Å; E141-E145 WeakPolarHBondContact OE2-CB 3.32Å; E141-T146 WeakPolarHBondContact OE2-CA 3.48Å; E141-T146 WeakPolarHBondContact OE2-CB 3.22Å; E141-T146 PolarHBondContact OE2-N 3.45Å; E141-T146 PolarHBondContact OE2-OG1 3.03Å; E141-R149 IonicContact OE1-CZ 3.73Å; E141-R149 IonicContact OE1-NE 3.4Å; E141-R149 PolarHBondContact OE1-NE 3.18Å; E141-R149 IonicContact OE1-NH1 3.92Å; E141-R149 PolarHBondContact OE1-NH1 3.26Å; E141-R149 IonicContact OE1-NH2 3.47Å; E141-R149 PolarHBondContact OE1-NH2 2.72Å; E141-R149 IonicContact OE2-CZ 3.39Å; E141-R149 IonicContact OE2-NE 2.72Å; E141-R149 PolarHBondContact OE2-NE 3.28Å; E141-R149 VanDerWaalsContact OE2-NE 3.17Å; E141-R149 IonicContact OE2-NH1 3.26Å; E141-R149 IonicContact OE2-NH2 2.66Å; E141-R149 PolarHBondContact OE2-NH2 3.37Å |
| 142 | P | 80.3 | Confident | 80.3 | Confident | 64 Ų | 64 | 94.5 Ų | 94.5 | 42% | 0.416 | 47% | 0.474 | S | S | . | . | trans | -63.5 | 134 | 174.8 | 27.6 | -36.1 | 0 | 0 | 0 | 111.2 | P144 E145 T146 | P142-P144 VanDerWaalsContact C-N 3.34Å; P142-P144 HydrophobicContact CB-CG 4.33Å; P142-P144 WeakPolarHBondContact O-CD 3.45Å; P142-E145 HydrophobicContact CG-CB 4.48Å; P142-E145 VanDerWaalsContact CG-CD 3.44Å; P142-E145 HydrophobicContact CG-CG 4.18Å; P142-E145 WeakPolarHBondContact CG-OE1 3.43Å; P142-E145 PolarHBondContact O-N 2.91Å; P142-T146 PolarHBondContact O-N 3.37Å | ||
| 143 | M | 81 | Confident | 79.7 | Confident | 133 Ų | 133 | 99.4 Ų | 99.4 | 66% | 0.655 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -36 | -46 | 179.7 | -170.5 | 63.3 | 52.2 | 0 | 0 | 116.8 | E141 E145 T146 L147 | E141-M143 PolarHBondContact O-N 3.34Å; M143-E145 VanDerWaalsContact C-N 3.35Å; M143-E145 PolarHBondContact O-N 3.42Å; M143-T146 PolarHBondContact O-N 3.04Å; M143-L147 HydrophobicContact CG-CD1 4.28Å; M143-L147 WeakPolarHBondContact O-CG 3.36Å; M143-L147 PolarHBondContact O-N 2.75Å |
| 144 | P | 80 | Confident | 78.7 | Confident | 93 Ų | 93 | 98 Ų | 98 | 60% | 0.604 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -58.5 | -38 | 177.2 | 22 | -35.6 | 0 | 0 | 0 | 114.9 | P142 L147 D148 | P142-P144 VanDerWaalsContact C-N 3.34Å; P142-P144 HydrophobicContact CB-CG 4.33Å; P142-P144 WeakPolarHBondContact O-CD 3.45Å; P144-L147 PolarHBondContact O-N 3.42Å; P144-D148 PolarHBondContact O-N 3.23Å; P144-D148 VanDerWaalsContact O-N 3.09Å |
| 145 | E | 79.2 | Confident | 77.6 | Confident | 103 Ų | 103 | 96.2 Ų | 96.2 | 48% | 0.481 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -71.1 | -38.1 | 178.6 | -71.3 | 165.1 | -155.1 | 0 | 0 | 110.6 | E141 P142 M143 L147 D148 R149 | E141-E145 HydrophobicContact CG-CB 3.66Å; E141-E145 VanDerWaalsContact CG-OE2 3.3Å; E141-E145 WeakPolarHBondContact CG-OE2 3.39Å; E141-E145 WeakPolarHBondContact OE2-CB 3.32Å; P142-E145 HydrophobicContact CG-CB 4.48Å; P142-E145 VanDerWaalsContact CG-CD 3.44Å; P142-E145 HydrophobicContact CG-CG 4.18Å; P142-E145 WeakPolarHBondContact CG-OE1 3.43Å; P142-E145 PolarHBondContact O-N 2.91Å; M143-E145 VanDerWaalsContact C-N 3.35Å; M143-E145 PolarHBondContact O-N 3.42Å; E145-L147 VanDerWaalsContact C-N 3.3Å; E145-L147 PolarHBondContact O-N 2.89Å; E145-D148 WeakPolarHBondContact O-CA 3.36Å; E145-D148 WeakPolarHBondContact O-CB 3.43Å; E145-D148 PolarHBondContact O-N 2.88Å; E145-R149 PolarHBondContact O-N 2.94Å |
| 146 | T | 77.8 | Confident | 76.5 | Confident | 34 Ų | 34 | 95.6 Ų | 95.6 | 21% | 0.209 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -67.2 | -34.9 | 176.5 | -75.9 | 0 | 0 | 0 | 0 | 111.3 | E141 P142 M143 D148 R149 M150 | E141-T146 WeakPolarHBondContact OE2-CA 3.48Å; E141-T146 WeakPolarHBondContact OE2-CB 3.22Å; E141-T146 PolarHBondContact OE2-N 3.45Å; E141-T146 PolarHBondContact OE2-OG1 3.03Å; P142-T146 PolarHBondContact O-N 3.37Å; M143-T146 PolarHBondContact O-N 3.04Å; T146-D148 VanDerWaalsContact C-N 3.33Å; T146-R149 PolarHBondContact OG1-NH2 2.94Å; T146-M150 VanDerWaalsContact O-CB 3.23Å; T146-M150 WeakPolarHBondContact O-CB 3.44Å; T146-M150 PolarHBondContact O-N 3Å |
| 147 | L | 81.9 | Confident | 75.1 | Confident | 77 Ų | 77 | 96.9 Ų | 96.9 | 40% | 0.403 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.3 | -32.2 | 170.3 | -68.4 | 174.3 | 0 | 0 | 0 | 112.5 | M143 P144 E145 M150 K151 | M143-L147 HydrophobicContact CG-CD1 4.28Å; M143-L147 WeakPolarHBondContact O-CG 3.36Å; M143-L147 PolarHBondContact O-N 2.75Å; P144-L147 PolarHBondContact O-N 3.42Å; E145-L147 VanDerWaalsContact C-N 3.3Å; E145-L147 PolarHBondContact O-N 2.89Å; L147-M150 HydrophobicContact CD2-CE 3.7Å; L147-K151 VanDerWaalsContact O-CG 3.29Å; L147-K151 WeakPolarHBondContact O-CG 3.43Å; L147-K151 PolarHBondContact O-N 3.45Å |
| 148 | D | 81.9 | Confident | 73.8 | Confident | 67 Ų | 67 | 95 Ų | 95 | 36% | 0.358 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -73.3 | -43.2 | 175.7 | -171 | 67.4 | 0 | 0 | 0 | 112.7 | P144 E145 T146 M150 K151 K152 | P144-D148 PolarHBondContact O-N 3.23Å; P144-D148 VanDerWaalsContact O-N 3.09Å; E145-D148 WeakPolarHBondContact O-CA 3.36Å; E145-D148 WeakPolarHBondContact O-CB 3.43Å; E145-D148 PolarHBondContact O-N 2.88Å; T146-D148 VanDerWaalsContact C-N 3.33Å; D148-M150 VanDerWaalsContact C-N 3.34Å; D148-M150 PolarHBondContact O-N 3.35Å; D148-K151 WeakPolarHBondContact O-CB 3.37Å; D148-K151 PolarHBondContact O-N 3.37Å; D148-K152 PolarHBondContact O-N 3.43Å; D148-K152 VanDerWaalsContact OD2-CE 3.23Å; D148-K152 WeakPolarHBondContact OD2-CE 3.38Å; D148-K152 IonicContact OD2-NZ 2.95Å; D148-K152 PolarHBondContact OD2-NZ 3.5Å |
| 149 | R | 79.7 | Confident | 72.7 | Confident | 55 Ų | 55 | 98.6 Ų | 98.6 | 21% | 0.208 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -58.1 | -46.9 | 169.6 | -64 | -168.5 | -54.7 | -154 | -7.8 | 111.2 | E141 E145 T146 K151 K152 Y153 | E141-R149 IonicContact OE1-CZ 3.73Å; E141-R149 IonicContact OE1-NE 3.4Å; E141-R149 PolarHBondContact OE1-NE 3.18Å; E141-R149 IonicContact OE1-NH1 3.92Å; E141-R149 PolarHBondContact OE1-NH1 3.26Å; E141-R149 IonicContact OE1-NH2 3.47Å; E141-R149 PolarHBondContact OE1-NH2 2.72Å; E141-R149 IonicContact OE2-CZ 3.39Å; E141-R149 IonicContact OE2-NE 2.72Å; E141-R149 PolarHBondContact OE2-NE 3.28Å; E141-R149 VanDerWaalsContact OE2-NE 3.17Å; E141-R149 IonicContact OE2-NH1 3.26Å; E141-R149 IonicContact OE2-NH2 2.66Å; E141-R149 PolarHBondContact OE2-NH2 3.37Å; E145-R149 PolarHBondContact O-N 2.94Å; T146-R149 PolarHBondContact OG1-NH2 2.94Å; R149-K151 VanDerWaalsContact C-N 3.3Å; R149-K151 PolarHBondContact O-N 3.28Å; R149-K152 WeakPolarHBondContact O-CB 3.25Å; R149-K152 PolarHBondContact O-N 3.47Å; R149-K152 VanDerWaalsContact O-N 3.1Å; R149-Y153 HydrophobicContact CB-CE2 4.22Å; R149-Y153 WeakPolarHBondContact O-CD2 3.34Å; R149-Y153 PolarHBondContact O-N 2.93Å |
| 150 | M | 78.9 | Confident | 71.4 | Confident | 118 Ų | 118 | 98.7 Ų | 98.7 | 58% | 0.581 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.7 | -34.7 | 179 | -169.6 | 177.8 | 72.1 | 0 | 0 | 112.4 | T146 L147 D148 S154 | T146-M150 VanDerWaalsContact O-CB 3.23Å; T146-M150 WeakPolarHBondContact O-CB 3.44Å; T146-M150 PolarHBondContact O-N 3Å; L147-M150 HydrophobicContact CD2-CE 3.7Å; D148-M150 VanDerWaalsContact C-N 3.34Å; D148-M150 PolarHBondContact O-N 3.35Å; M150-S154 VanDerWaalsContact O-CB 3.29Å; M150-S154 WeakPolarHBondContact O-CB 3.3Å; M150-S154 PolarHBondContact O-N 2.89Å |
| 151 | K | 81.8 | Confident | 69.8 | Low | 137 Ų | 137 | 96 Ų | 96 | 60% | 0.596 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.3 | -49.9 | 169.5 | -77.7 | 169.1 | -177 | 175.7 | 0 | 111.5 | L147 D148 R149 Y153 S154 T155 | L147-K151 VanDerWaalsContact O-CG 3.29Å; L147-K151 WeakPolarHBondContact O-CG 3.43Å; L147-K151 PolarHBondContact O-N 3.45Å; D148-K151 WeakPolarHBondContact O-CB 3.37Å; D148-K151 PolarHBondContact O-N 3.37Å; R149-K151 VanDerWaalsContact C-N 3.3Å; R149-K151 PolarHBondContact O-N 3.28Å; K151-Y153 PolarHBondContact O-N 3.21Å; K151-S154 CarbonylContact O-C 3.56Å; K151-S154 WeakPolarHBondContact O-CA 3.34Å; K151-S154 WeakPolarHBondContact O-CB 3.28Å; K151-S154 PolarHBondContact O-N 3.24Å; K151-T155 PolarHBondContact O-N 3.01Å; K151-T155 PolarHBondContact O-OG1 3.35Å; K151-T155 VanDerWaalsContact O-OG1 3.12Å |
| 152 | K | 79.1 | Confident | 68.6 | Low | 128 Ų | 128 | 100.2 Ų | 100.2 | 56% | 0.557 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -55.2 | -48 | 179.6 | -73.6 | 161.1 | 173.5 | 160.4 | 0 | 111.7 | D148 R149 S154 T155 S156 | D148-K152 PolarHBondContact O-N 3.43Å; D148-K152 VanDerWaalsContact OD2-CE 3.23Å; D148-K152 WeakPolarHBondContact OD2-CE 3.38Å; D148-K152 IonicContact OD2-NZ 2.95Å; D148-K152 PolarHBondContact OD2-NZ 3.5Å; R149-K152 WeakPolarHBondContact O-CB 3.25Å; R149-K152 PolarHBondContact O-N 3.47Å; R149-K152 VanDerWaalsContact O-N 3.1Å; K152-S154 PolarHBondContact O-N 3.37Å; K152-T155 PolarHBondContact O-N 3.37Å; K152-S156 PolarHBondContact O-N 3.38Å; K152-S156 PolarHBondContact O-OG 2.82Å |
| 153 | Y | 67.8 | Low | 67 | Low | 160 Ų | 160 | 101.7 Ų | 101.7 | 63% | 0.627 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66 | -33.8 | 174.8 | -62.5 | -62.8 | 0 | 0 | 0 | 113.3 | R149 K151 S156 L157 | R149-Y153 HydrophobicContact CB-CE2 4.22Å; R149-Y153 WeakPolarHBondContact O-CD2 3.34Å; R149-Y153 PolarHBondContact O-N 2.93Å; K151-Y153 PolarHBondContact O-N 3.21Å; Y153-S156 PolarHBondContact O-N 3.02Å; Y153-L157 PolarHBondContact O-N 3.06Å |
| 154 | S | 61.1 | Low | 65.3 | Low | 71 Ų | 71 | 101.2 Ų | 101.2 | 50% | 0.497 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.3 | -33 | 174.6 | -171.1 | 0 | 0 | 0 | 0 | 112.8 | M150 K151 K152 S156 L157 S158 | M150-S154 VanDerWaalsContact O-CB 3.29Å; M150-S154 WeakPolarHBondContact O-CB 3.3Å; M150-S154 PolarHBondContact O-N 2.89Å; K151-S154 CarbonylContact O-C 3.56Å; K151-S154 WeakPolarHBondContact O-CA 3.34Å; K151-S154 WeakPolarHBondContact O-CB 3.28Å; K151-S154 PolarHBondContact O-N 3.24Å; K152-S154 PolarHBondContact O-N 3.37Å; S154-S156 VanDerWaalsContact C-N 3.34Å; S154-L157 PolarHBondContact O-N 3.23Å; S154-S158 PolarHBondContact O-N 2.96Å; S154-S158 VanDerWaalsContact O-N 3.15Å; S154-S158 PolarHBondContact O-OG 3.39Å |
| 155 | T | 58.1 | Low | 63.7 | Low | 82 Ų | 82 | 101.8 Ų | 101.8 | 50% | 0.503 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -70.6 | -28.6 | 172.6 | -51.5 | 0 | 0 | 0 | 0 | 112.3 | K151 K152 S158 Q159 | K151-T155 PolarHBondContact O-N 3.01Å; K151-T155 PolarHBondContact O-OG1 3.35Å; K151-T155 VanDerWaalsContact O-OG1 3.12Å; K152-T155 PolarHBondContact O-N 3.37Å; T155-S158 WeakPolarHBondContact CA-OG 3.45Å; T155-S158 PolarHBondContact O-OG 3.35Å; T155-Q159 PolarHBondContact O-NE2 3.17Å; T155-Q159 VanDerWaalsContact O-NE2 3.09Å |
| 156 | S | 56.2 | Low | 61.9 | Low | 73 Ų | 73 | 100.2 Ų | 100.2 | 51% | 0.51 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -72 | -42.7 | 170.2 | -55.5 | 0 | 0 | 0 | 0 | 112.1 | K152 Y153 S154 S158 Q159 | K152-S156 PolarHBondContact O-N 3.38Å; K152-S156 PolarHBondContact O-OG 2.82Å; Y153-S156 PolarHBondContact O-N 3.02Å; S154-S156 VanDerWaalsContact C-N 3.34Å; S156-S158 PolarHBondContact O-N 3.06Å; S156-Q159 PolarHBondContact O-N 3.3Å; S156-Q159 VanDerWaalsContact O-N 3.09Å |
| 157 | L | 54.5 | Low | 60.1 | Low | 121 Ų | 121 | 109 Ų | 109 | 63% | 0.634 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.4 | -27.2 | 176.5 | -84.6 | 162.4 | 0 | 0 | 0 | 113.7 | Y153 S154 Q159 L160 | Y153-L157 PolarHBondContact O-N 3.06Å; S154-L157 PolarHBondContact O-N 3.23Å; L157-Q159 VanDerWaalsContact C-N 3.34Å; L157-L160 HydrophobicContact CD2-CD1 3.98Å |
| 158 | S | 54.9 | Low | 58.3 | Low | 90 Ų | 90 | 111 Ų | 111 | 63% | 0.629 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -0.1 | 175.5 | 39 | 0 | 0 | 0 | 0 | 114.3 | S154 T155 S156 | S154-S158 PolarHBondContact O-N 2.96Å; S154-S158 VanDerWaalsContact O-N 3.15Å; S154-S158 PolarHBondContact O-OG 3.39Å; T155-S158 WeakPolarHBondContact CA-OG 3.45Å; T155-S158 PolarHBondContact O-OG 3.35Å; S156-S158 PolarHBondContact O-N 3.06Å |
| 159 | Q | 52.6 | Low | 56.2 | Low | 150 Ų | 150 | 113.2 Ų | 113.2 | 70% | 0.701 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -1.4 | 166.8 | -76.2 | 172.8 | 82.3 | 0 | 0 | 113.2 | T155 S156 L157 | T155-Q159 PolarHBondContact O-NE2 3.17Å; T155-Q159 VanDerWaalsContact O-NE2 3.09Å; S156-Q159 PolarHBondContact O-N 3.3Å; S156-Q159 VanDerWaalsContact O-N 3.09Å; L157-Q159 VanDerWaalsContact C-N 3.34Å |
| 160 | L | 52.8 | Low | 54.6 | Low | 115 Ų | 115 | 118.1 Ų | 118.1 | 60% | 0.602 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -60.2 | 130.5 | 162.6 | -67.8 | 176.6 | 0 | 0 | 0 | 108.3 | L157 | L157-L160 HydrophobicContact CD2-CD1 3.98Š|
| 161 | P | 49 | Very low | 53 | Low | 107 Ų | 107 | 119.4 Ų | 119.4 | 70% | 0.695 | 66% | 0.657 | S | S | * | * | trans | -58.5 | 143.3 | 177 | 25.8 | -34.1 | 0 | 0 | 0 | 109.2 | S163 | P161-S163 PolarHBondContact O-N 2.77Š| ||
| 162 | P | 52.6 | Low | 50.9 | Low | 127 Ų | 127 | 124 Ų | 124 | 83% | 0.825 | 67% | 0.672 | S | S | * | * | trans | -56.9 | 113.6 | 179.4 | 23.3 | -33 | 0 | 0 | 0 | 108.8 | ||||
| 163 | S | 45.5 | Very low | 49.1 | Very low | 95 Ų | 95 | 126.9 Ų | 126.9 | 66% | 0.664 | 69% | 0.688 | S | S | * | * | trans | -51 | 132.6 | -179.6 | 179 | 0 | 0 | 0 | 0 | 109.1 | P161 V165 | P161-S163 PolarHBondContact O-N 2.77Å; S163-V165 PolarHBondContact O-N 3.5Å | ||
| 164 | P | 45.8 | Very low | 47.9 | Very low | 122 Ų | 122 | 125.1 Ų | 125.1 | 79% | 0.792 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -75.8 | 49.4 | -169.7 | 31.5 | -37 | 0 | 0 | 0 | 113.5 | A166 | P164-A166 PolarHBondContact O-N 3.17Š|
| 165 | V | 46.8 | Very low | 46.7 | Very low | 106 Ų | 106 | 125 Ų | 125 | 64% | 0.642 | 71% | 0.708 | S | S | * | * | trans | -73.9 | 62.1 | 155 | -169 | 0 | 0 | 0 | 0 | 107.6 | S163 Y167 | S163-V165 PolarHBondContact O-N 3.5Å; V165-Y167 HydrophobicContact CG1-CD2 4.35Å; V165-Y167 HydrophobicContact CG1-CE2 4.13Å; V165-Y167 PolarHBondContact O-N 2.91Å; V165-Y167 VanDerWaalsContact O-N 3.11Å | ||
| 166 | A | 41.9 | Very low | 45.9 | Very low | 70 Ų | 70 | 132.6 Ų | 132.6 | 58% | 0.579 | 73% | 0.728 | S | S | * | * | trans | -66.9 | 110.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | P164 T168 | P164-A166 PolarHBondContact O-N 3.17Å; A166-T168 HydrophobicContact CB-CG2 4.1Å; A166-T168 PolarHBondContact O-N 3.38Å | ||
| 167 | Y | 39.1 | Very low | 45.2 | Very low | 218 Ų | 218 | 135.3 Ų | 135.3 | 86% | 0.855 | 74% | 0.743 | S | S | * | * | trans | -71.5 | 62.2 | 172.3 | -91.5 | -97.8 | 0 | 0 | 0 | 110.5 | V165 S169 | V165-Y167 HydrophobicContact CG1-CD2 4.35Å; V165-Y167 HydrophobicContact CG1-CE2 4.13Å; V165-Y167 PolarHBondContact O-N 2.91Å; V165-Y167 VanDerWaalsContact O-N 3.11Å; Y167-S169 VanDerWaalsContact C-N 3.27Å; Y167-S169 PolarHBondContact O-N 3.49Å | ||
| 168 | T | 44.7 | Very low | 44.4 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 72% | 0.724 | 75% | 0.751 | S | S | * | * | trans | -80.2 | 76.3 | 174 | 54.2 | 0 | 0 | 0 | 0 | 109.7 | A166 K170 | A166-T168 HydrophobicContact CB-CG2 4.1Å; A166-T168 PolarHBondContact O-N 3.38Å; T168-K170 VanDerWaalsContact C-N 3.25Å; T168-K170 PolarHBondContact O-N 3.35Å | ||
| 169 | S | 37.6 | Very low | 43.8 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | -73.6 | 75.3 | 174 | 58.7 | 0 | 0 | 0 | 0 | 111 | Y167 | Y167-S169 VanDerWaalsContact C-N 3.27Å; Y167-S169 PolarHBondContact O-N 3.49Å | ||
| 170 | K | 44.9 | Very low | 43.1 | Very low | 159 Ų | 159 | 140.4 Ų | 140.4 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | trans | -138.9 | 133 | 170.2 | -83.6 | -160 | 149.1 | -82.4 | 0 | 113.5 | T168 | T168-K170 VanDerWaalsContact C-N 3.25Å; T168-K170 PolarHBondContact O-N 3.35Å | ||
| 171 | E | 46.2 | Very low | 42.8 | Very low | 144 Ų | 144 | 139.9 Ų | 139.9 | 67% | 0.673 | 78% | 0.778 | S | S | * | * | trans | 18.5 | 116.9 | 156.2 | -65.7 | 111.7 | 150.5 | 0 | 0 | 119.2 | E173 | E171-E173 PolarHBondContact O-N 2.95Š| ||
| 172 | Y | 36.8 | Very low | 42.5 | Very low | 234 Ų | 234 | 142.2 Ų | 142.2 | 92% | 0.918 | 79% | 0.79 | S | S | * | * | trans | -59.3 | 124.6 | 146.1 | -89.4 | -114.1 | 0 | 0 | 0 | 108.6 | ||||
| 173 | E | 42.8 | Very low | 42.2 | Very low | 189 Ų | 189 | 145.4 Ų | 145.4 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | -162.3 | 141.9 | 123.4 | -114.3 | 175.9 | 148.9 | 0 | 0 | 114.7 | E171 | E171-E173 PolarHBondContact O-N 2.95Š| |||
| 174 | S | 41.1 | Very low | 42.1 | Very low | 123 Ų | 123 | 148.7 Ų | 148.7 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | 26.7 | 128.5 | 149 | -156.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 175 | G | 37.2 | Very low | 41.9 | Very low | 67 Ų | 67 | 149.1 Ų | 149.1 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | 118 | 59.7 | 127 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 176 | R | 40.2 | Very low | 42.1 | Very low | 243 Ų | 243 | 150.5 Ų | 150.5 | 92% | 0.917 | 80% | 0.798 | S | S | * | * | trans | -164.6 | 121.2 | 140.1 | -114.3 | 171.3 | -170.6 | -146.4 | 0.4 | 113.6 | ||||
| 177 | P | 43.4 | Very low | 42.4 | Very low | 129 Ų | 129 | 153 Ų | 153 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | trans | -77.6 | 158 | 162.3 | 33.9 | -33.1 | 0 | 0 | 0 | 110.4 | ||||
| 178 | G | 37 | Very low | 42.6 | Very low | 77 Ų | 77 | 150.3 Ų | 150.3 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | 103.2 | 47.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 179 | R | 42.3 | Very low | 42.6 | Very low | 246 Ų | 246 | 147.9 Ų | 147.9 | 93% | 0.928 | 79% | 0.79 | S | S | * | * | trans | -165.4 | 115.4 | 142.3 | -108.3 | 169.2 | -166.2 | -149.7 | 1.5 | 109.8 | P181 | R179-P181 WeakPolarHBondContact O-CD 3.5Š| ||
| 180 | T | 37.8 | Very low | 42.7 | Very low | 146 Ų | 146 | 151.2 Ų | 151.2 | 90% | 0.896 | 79% | 0.786 | S | S | * | * | trans | -87.5 | 118 | 176.4 | 34.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 181 | P | 46.6 | Very low | 42.4 | Very low | 104 Ų | 104 | 147.5 Ų | 147.5 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | trans | -86.7 | 131.3 | 159.7 | 6 | 13.8 | 0 | 0 | 0 | 108.7 | R179 K183 | R179-P181 WeakPolarHBondContact O-CD 3.5Å; P181-K183 PolarHBondContact O-N 3.49Å; P181-K183 VanDerWaalsContact O-N 3.08Å | ||
| 182 | V | 41.3 | Very low | 42.1 | Very low | 155 Ų | 155 | 145.2 Ų | 145.2 | 94% | 0.939 | 78% | 0.776 | S | S | * | * | trans | -58.5 | 113.1 | 173.7 | -179.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 183 | K | 46.6 | Very low | 42.5 | Very low | 194 Ų | 194 | 138.2 Ų | 138.2 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | trans | -148.7 | 38.8 | -171.6 | -147.7 | 179.5 | -175.5 | -177.3 | 0 | 114.4 | P181 | P181-K183 PolarHBondContact O-N 3.49Å; P181-K183 VanDerWaalsContact O-N 3.08Å | ||
| 184 | E | 44.2 | Very low | 42.3 | Very low | 165 Ų | 165 | 137.8 Ų | 137.8 | 77% | 0.771 | 75% | 0.753 | S | S | * | * | trans | -127.9 | 177.4 | 177.9 | -64 | -177.3 | 150.9 | 0 | 0 | 110.8 | I186 | E184-I186 PolarHBondContact O-N 3.44Š| ||
| 185 | T | 41.9 | Very low | 42.5 | Very low | 131 Ų | 131 | 140.2 Ų | 140.2 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | S | Bend | trans | 75 | -1.2 | 163.2 | -21.7 | 0 | 0 | 0 | 0 | 120.5 | ||
| 186 | I | 50.5 | Low | 42.9 | Very low | 134 Ų | 134 | 145.6 Ų | 145.6 | 69% | 0.687 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -105.3 | -28.8 | 178.2 | -60.5 | -178 | 0 | 0 | 0 | 114.6 | E184 S189 | E184-I186 PolarHBondContact O-N 3.44Å; I186-S189 PolarHBondContact O-OG 2.97Å |
| 187 | T | 47.5 | Very low | 43.1 | Very low | 124 Ų | 124 | 138.8 Ų | 138.8 | 76% | 0.761 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -86.9 | -18 | -172.1 | 15.6 | 0 | 0 | 0 | 0 | 115.9 | ||
| 188 | E | 44.7 | Very low | 43.3 | Very low | 160 Ų | 160 | 136.8 Ų | 136.8 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -89.1 | -30.1 | -177.1 | -65.2 | -164.3 | 123.1 | 0 | 0 | 113.8 | Y190 S191 | E188-Y190 VanDerWaalsContact C-N 3.27Å; E188-Y190 PolarHBondContact O-N 2.98Å; E188-S191 PolarHBondContact O-N 3.34Å |
| 189 | S | 43.1 | Very low | 43.6 | Very low | 67 Ų | 67 | 137.3 Ų | 137.3 | 47% | 0.469 | 72% | 0.72 | S | S | . | * | H | α-helix | trans | -62.9 | -28.6 | -177.6 | 44.9 | 0 | 0 | 0 | 0 | 113.8 | I186 T192 | I186-S189 PolarHBondContact O-OG 2.97Å; S189-T192 PolarHBondContact O-OG1 2.91Å |
| 190 | Y | 39.7 | Very low | 44 | Very low | 185 Ų | 185 | 131.7 Ų | 131.7 | 73% | 0.725 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -78.8 | -14.8 | 173.3 | -75.8 | -83.6 | 0 | 0 | 0 | 114.2 | E188 | E188-Y190 VanDerWaalsContact C-N 3.27Å; E188-Y190 PolarHBondContact O-N 2.98Å |
| 191 | S | 39.4 | Very low | 44.7 | Very low | 80 Ų | 80 | 127.4 Ų | 127.4 | 56% | 0.559 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -94.4 | -14.3 | -175.9 | -66.3 | 0 | 0 | 0 | 0 | 114.4 | E188 | E188-S191 PolarHBondContact O-N 3.34Å |
| 192 | T | 40.4 | Very low | 45.2 | Very low | 97 Ų | 97 | 126.9 Ų | 126.9 | 60% | 0.595 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -94.1 | -42.6 | -179.2 | 47.8 | 0 | 0 | 0 | 0 | 112.7 | S189 Y194 K195 | S189-T192 PolarHBondContact O-OG1 2.91Å; T192-Y194 VanDerWaalsContact C-N 3.26Å; T192-Y194 PolarHBondContact O-N 2.98Å; T192-Y194 VanDerWaalsContact O-N 3.1Å; T192-K195 PolarHBondContact O-N 3.49Å; T192-K195 VanDerWaalsContact O-N 3.14Å |
| 193 | S | 43.9 | Very low | 46.1 | Very low | 86 Ų | 86 | 122.3 Ų | 122.3 | 60% | 0.601 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | -28.5 | -171.8 | -170.5 | 0 | 0 | 0 | 0 | 115.4 | ||
| 194 | Y | 39.4 | Very low | 46.9 | Very low | 181 Ų | 181 | 116.5 Ų | 116.5 | 71% | 0.71 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -7.7 | -177.8 | -83.1 | -77.9 | 0 | 0 | 0 | 115 | T192 S198 | T192-Y194 VanDerWaalsContact C-N 3.26Å; T192-Y194 PolarHBondContact O-N 2.98Å; T192-Y194 VanDerWaalsContact O-N 3.1Å; Y194-S198 PolarHBondContact O-OG 3.15Å |
| 195 | K | 46.1 | Very low | 47.8 | Very low | 173 Ų | 173 | 112.7 Ų | 112.7 | 75% | 0.752 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -88.4 | -15.1 | -172.2 | -78.7 | -174.6 | 175.3 | 174 | 0 | 115.7 | T192 | T192-K195 PolarHBondContact O-N 3.49Å; T192-K195 VanDerWaalsContact O-N 3.14Å |
| 196 | E | 45.9 | Very low | 48.6 | Very low | 181 Ų | 181 | 109.6 Ų | 109.6 | 85% | 0.846 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -116.6 | -11.1 | -166 | -149 | 151.4 | -140.9 | 0 | 0 | 114.7 | ||
| 197 | T | 43.7 | Very low | 49.2 | Very low | 100 Ų | 100 | 107.3 Ų | 107.3 | 61% | 0.613 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -111.9 | -24.4 | -175 | 51.7 | 0 | 0 | 0 | 0 | 115.1 | ||
| 198 | S | 46.7 | Very low | 49.9 | Very low | 86 Ų | 86 | 109.3 Ų | 109.3 | 60% | 0.601 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -9.7 | -175 | 57.4 | 0 | 0 | 0 | 0 | 114.9 | Y194 | Y194-S198 PolarHBondContact O-OG 3.15Š|
| 199 | C | 44.1 | Very low | 50.7 | Low | 89 Ų | 89 | 108.1 Ų | 108.1 | 60% | 0.601 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | 27.2 | -176.3 | -68.9 | 0 | 0 | 0 | 0 | 114 | S201 | C199-S201 PolarHBondContact O-N 2.91Š|
| 200 | H | 50.1 | Low | 51.5 | Low | 127 Ų | 127 | 107.4 Ų | 107.4 | 59% | 0.588 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -59.1 | 123.7 | 151.8 | -74.7 | 35.6 | 0 | 0 | 0 | 106.4 | S202 | H200-S202 PolarHBondContact O-N 3.03Š|
| 201 | S | 52.4 | Low | 53 | Low | 57 Ų | 57 | 104.1 Ų | 104.1 | 40% | 0.399 | 57% | 0.565 | S | S | . | * | trans | -59 | 142.9 | -176.8 | -174.7 | 0 | 0 | 0 | 0 | 108.9 | C199 S203 D204 I205 | C199-S201 PolarHBondContact O-N 2.91Å; S201-S203 CarbonylContact O-C 3.46Å; S201-S203 PolarHBondContact O-N 3.48Å; S201-S203 VanDerWaalsContact O-N 3.11Å; S201-S203 WeakPolarHBondContact OG-CB 3.39Å; S201-S203 PolarHBondContact OG-N 3.45Å; S201-D204 VanDerWaalsContact CB-CG 3.45Å; S201-D204 VanDerWaalsContact CB-OD2 3.23Å; S201-D204 WeakPolarHBondContact CB-OD2 3.48Å; S201-D204 PolarHBondContact N-OD2 3.5Å; S201-D204 WeakPolarHBondContact O-CB 3.44Å; S201-D204 PolarHBondContact O-N 3.13Å; S201-I205 PolarHBondContact O-N 3.38Å | ||
| 202 | S | 57 | Low | 54.8 | Low | 93 Ų | 93 | 108.5 Ų | 108.5 | 65% | 0.65 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -57.7 | -25.3 | 169.3 | -51.1 | 0 | 0 | 0 | 0 | 110.8 | H200 L206 | H200-S202 PolarHBondContact O-N 3.03Å; S202-L206 WeakPolarHBondContact O-CB 3.3Å; S202-L206 VanDerWaalsContact O-CD1 3.3Å; S202-L206 WeakPolarHBondContact O-CD1 3.4Å; S202-L206 WeakPolarHBondContact O-CG 3.42Å; S202-L206 PolarHBondContact O-N 3.28Å |
| 203 | S | 60.7 | Low | 56.5 | Low | 58 Ų | 58 | 109.9 Ų | 109.9 | 41% | 0.406 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -58 | -59.3 | 165 | -151.4 | 0 | 0 | 0 | 0 | 111.4 | S201 I205 L206 D207 | S201-S203 CarbonylContact O-C 3.46Å; S201-S203 PolarHBondContact O-N 3.48Å; S201-S203 VanDerWaalsContact O-N 3.11Å; S201-S203 WeakPolarHBondContact OG-CB 3.39Å; S201-S203 PolarHBondContact OG-N 3.45Å; S203-I205 CarbonylContact O-C 3.58Å; S203-I205 PolarHBondContact O-N 2.9Å; S203-L206 CarbonylContact O-C 3.56Å; S203-L206 WeakPolarHBondContact O-CA 3.22Å; S203-L206 PolarHBondContact O-N 2.86Å; S203-D207 WeakPolarHBondContact CB-OD2 3.39Å; S203-D207 VanDerWaalsContact O-CB 3.31Å; S203-D207 WeakPolarHBondContact O-CB 3.43Å; S203-D207 VanDerWaalsContact O-CG 3.26Å; S203-D207 PolarHBondContact O-N 3.16Å; S203-D207 PolarHBondContact OG-OD2 2.87Å |
| 204 | D | 63.2 | Low | 57.9 | Low | 72 Ų | 72 | 110.2 Ų | 110.2 | 39% | 0.385 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -54.3 | -22.7 | -174.6 | -48.3 | -26.8 | 0 | 0 | 0 | 114.8 | S201 K208 | S201-D204 VanDerWaalsContact CB-CG 3.45Å; S201-D204 VanDerWaalsContact CB-OD2 3.23Å; S201-D204 WeakPolarHBondContact CB-OD2 3.48Å; S201-D204 PolarHBondContact N-OD2 3.5Å; S201-D204 WeakPolarHBondContact O-CB 3.44Å; S201-D204 PolarHBondContact O-N 3.13Å; D204-K208 VanDerWaalsContact O-CD 3.31Å; D204-K208 WeakPolarHBondContact O-CD 3.49Å; D204-K208 VanDerWaalsContact O-CG 3.32Å; D204-K208 WeakPolarHBondContact O-CG 3.4Å |
| 205 | I | 62.8 | Low | 59.4 | Low | 86 Ų | 86 | 103 Ų | 103 | 44% | 0.441 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -87.1 | -46.2 | 175 | -60.9 | 175.9 | 0 | 0 | 0 | 110.7 | S201 S203 D207 K208 L209 | S201-I205 PolarHBondContact O-N 3.38Å; S203-I205 CarbonylContact O-C 3.58Å; S203-I205 PolarHBondContact O-N 2.9Å; I205-D207 PolarHBondContact O-N 2.66Å; I205-K208 PolarHBondContact O-N 2.94Å; I205-L209 HydrophobicContact CG2-CD1 3.72Å; I205-L209 HydrophobicContact CG2-CG 4.44Å; I205-L209 WeakPolarHBondContact O-CB 3.36Å; I205-L209 WeakPolarHBondContact O-CG 3.41Å; I205-L209 PolarHBondContact O-N 2.88Å |
| 206 | L | 60.2 | Low | 60.9 | Low | 66 Ų | 66 | 99.9 Ų | 99.9 | 35% | 0.346 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.1 | -25.4 | 172.6 | -63.7 | 167 | 0 | 0 | 0 | 112.4 | S202 S203 K208 L210 Q215 V218 | S202-L206 WeakPolarHBondContact O-CB 3.3Å; S202-L206 VanDerWaalsContact O-CD1 3.3Å; S202-L206 WeakPolarHBondContact O-CD1 3.4Å; S202-L206 WeakPolarHBondContact O-CG 3.42Å; S202-L206 PolarHBondContact O-N 3.28Å; S203-L206 CarbonylContact O-C 3.56Å; S203-L206 WeakPolarHBondContact O-CA 3.22Å; S203-L206 PolarHBondContact O-N 2.86Å; L206-K208 VanDerWaalsContact C-N 3.3Å; L206-L210 HydrophobicContact CB-CD1 4.42Å; L206-L210 HydrophobicContact CD2-CD1 3.49Å; L206-L210 VanDerWaalsContact CD2-CD1 3.49Å; L206-L210 HydrophobicContact CD2-CG 4.34Å; L206-Q215 PolarHBondContact O-NE2 2.95Å; L206-V218 HydrophobicContact CD1-CG1 4.49Å |
| 207 | D | 61.5 | Low | 62.5 | Low | 85 Ų | 85 | 95.7 Ų | 95.7 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -80.9 | -5.9 | 176.2 | -69.4 | -47.4 | 0 | 0 | 0 | 113.5 | S203 I205 Q215 | S203-D207 WeakPolarHBondContact CB-OD2 3.39Å; S203-D207 VanDerWaalsContact O-CB 3.31Å; S203-D207 WeakPolarHBondContact O-CB 3.43Å; S203-D207 VanDerWaalsContact O-CG 3.26Å; S203-D207 PolarHBondContact O-N 3.16Å; S203-D207 PolarHBondContact OG-OD2 2.87Å; I205-D207 PolarHBondContact O-N 2.66Å; D207-Q215 VanDerWaalsContact CA-NE2 3.35Å; D207-Q215 PolarHBondContact OD1-NE2 3.23Å |
| 208 | K | 63.8 | Low | 64.2 | Low | 167 Ų | 167 | 93.4 Ų | 93.4 | 73% | 0.726 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -120.2 | -22.1 | 177.1 | -68.9 | 175.7 | -172.2 | 172.2 | 0 | 114.6 | D204 I205 L206 | D204-K208 VanDerWaalsContact O-CD 3.31Å; D204-K208 WeakPolarHBondContact O-CD 3.49Å; D204-K208 VanDerWaalsContact O-CG 3.32Å; D204-K208 WeakPolarHBondContact O-CG 3.4Å; I205-K208 PolarHBondContact O-N 2.94Å; L206-K208 VanDerWaalsContact C-N 3.3Å |
| 209 | L | 60.2 | Low | 65.9 | Low | 135 Ų | 135 | 94.2 Ų | 94.2 | 71% | 0.707 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -109.1 | -15.6 | -173.8 | -63.9 | -179.2 | 0 | 0 | 0 | 115.1 | I205 | I205-L209 HydrophobicContact CG2-CD1 3.72Å; I205-L209 HydrophobicContact CG2-CG 4.44Å; I205-L209 WeakPolarHBondContact O-CB 3.36Å; I205-L209 WeakPolarHBondContact O-CG 3.41Å; I205-L209 PolarHBondContact O-N 2.88Å |
| 210 | L | 59.8 | Low | 67.9 | Low | 52 Ų | 52 | 94.1 Ų | 94.1 | 27% | 0.272 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -114.8 | 139.6 | -176.6 | -65.6 | -178.5 | 0 | 0 | 0 | 111.7 | L206 E214 Q215 V218 | L206-L210 HydrophobicContact CB-CD1 4.42Å; L206-L210 HydrophobicContact CD2-CD1 3.49Å; L206-L210 VanDerWaalsContact CD2-CD1 3.49Å; L206-L210 HydrophobicContact CD2-CG 4.34Å; L210-E214 HydrophobicContact CB-CB 4.04Å; L210-E214 HydrophobicContact CD2-CB 4.11Å; L210-E214 HydrophobicContact CG-CB 4.45Å; L210-Q215 HydrophobicContact CB-CG 4.09Å; L210-V218 HydrophobicContact CD1-CG2 4Å |
| 211 | N | 72.6 | Confident | 69.3 | Low | 116 Ų | 116 | 90.2 Ų | 90.2 | 62% | 0.62 | 47% | 0.472 | S | S | * | . | trans | -67.7 | 156 | 170.3 | -163 | -10 | 0 | 0 | 0 | 109.9 | Q213 E214 Q215 | N211-Q213 PolarHBondContact O-N 3.39Å; N211-Q213 VanDerWaalsContact O-N 3.08Å; N211-E214 HydrophobicContact CB-CG 4.4Å; N211-E214 VanDerWaalsContact CB-OE2 3.31Å; N211-E214 WeakPolarHBondContact CB-OE2 3.42Å; N211-E214 PolarHBondContact N-OE2 2.93Å; N211-E214 WeakPolarHBondContact O-CB 3.43Å; N211-E214 PolarHBondContact O-N 3.44Å; N211-Q215 PolarHBondContact O-N 2.84Å | ||
| 212 | K | 76.5 | Confident | 70.7 | Confident | 172 Ų | 172 | 92.5 Ų | 92.5 | 75% | 0.748 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -53 | -38.4 | -174.5 | -73.7 | -173.7 | 175.8 | -178.2 | 0 | 113.1 | Q215 E216 | K212-Q215 PolarHBondContact O-N 3.41Å; K212-E216 PolarHBondContact O-N 2.82Å |
| 213 | Q | 75.5 | Confident | 72 | Confident | 125 Ų | 125 | 91.2 Ų | 91.2 | 58% | 0.584 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -65.5 | -38.2 | 176.8 | -173.5 | 60.2 | 61.4 | 0 | 0 | 112.9 | N211 E216 N217 | N211-Q213 PolarHBondContact O-N 3.39Å; N211-Q213 VanDerWaalsContact O-N 3.08Å; Q213-E216 PolarHBondContact O-N 2.73Å; Q213-N217 PolarHBondContact NE2-OD1 3.1Å; Q213-N217 VanDerWaalsContact NE2-OD1 3.09Å; Q213-N217 PolarHBondContact O-N 2.96Å; Q213-N217 VanDerWaalsContact O-N 3.12Å; Q213-N217 PolarHBondContact O-OD1 3.39Å; Q213-N217 VanDerWaalsContact O-OD1 3.09Å |
| 214 | E | 74.1 | Confident | 73.1 | Confident | 93 Ų | 93 | 93.6 Ų | 93.6 | 44% | 0.435 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -72.7 | -34.1 | -179.5 | -61.2 | 172.4 | 126.8 | 0 | 0 | 110.9 | L210 N211 N217 V218 | L210-E214 HydrophobicContact CB-CB 4.04Å; L210-E214 HydrophobicContact CD2-CB 4.11Å; L210-E214 HydrophobicContact CG-CB 4.45Å; N211-E214 HydrophobicContact CB-CG 4.4Å; N211-E214 VanDerWaalsContact CB-OE2 3.31Å; N211-E214 WeakPolarHBondContact CB-OE2 3.42Å; N211-E214 PolarHBondContact N-OE2 2.93Å; N211-E214 WeakPolarHBondContact O-CB 3.43Å; N211-E214 PolarHBondContact O-N 3.44Å; E214-N217 PolarHBondContact O-N 3.01Å; E214-V218 WeakPolarHBondContact O-CB 3.32Å; E214-V218 WeakPolarHBondContact O-CG2 3.44Å; E214-V218 PolarHBondContact O-N 2.96Å |
| 215 | Q | 69.9 | Low | 74 | Confident | 29 Ų | 29 | 95.4 Ų | 95.4 | 14% | 0.136 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -60.2 | -46.8 | 170.2 | -67 | -157.4 | -16.8 | 0 | 0 | 113 | L206 D207 L210 N211 K212 N217 V218 K219 | L206-Q215 PolarHBondContact O-NE2 2.95Å; D207-Q215 VanDerWaalsContact CA-NE2 3.35Å; D207-Q215 PolarHBondContact OD1-NE2 3.23Å; L210-Q215 HydrophobicContact CB-CG 4.09Å; N211-Q215 PolarHBondContact O-N 2.84Å; K212-Q215 PolarHBondContact O-N 3.41Å; Q215-N217 VanDerWaalsContact C-N 3.33Å; Q215-V218 PolarHBondContact O-N 2.75Å; Q215-K219 WeakPolarHBondContact O-CB 3.42Å; Q215-K219 VanDerWaalsContact O-CG 3.22Å; Q215-K219 WeakPolarHBondContact O-CG 3.38Å; Q215-K219 PolarHBondContact O-N 2.96Å |
| 216 | E | 78.1 | Confident | 75 | Confident | 108 Ų | 108 | 99.4 Ų | 99.4 | 51% | 0.505 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 178.4 | -68.6 | -59.8 | 103.5 | 0 | 0 | 110.4 | K212 Q213 V218 K219 D220 | K212-E216 PolarHBondContact O-N 2.82Å; Q213-E216 PolarHBondContact O-N 2.73Å; E216-V218 VanDerWaalsContact C-N 3.32Å; E216-V218 PolarHBondContact O-N 3.37Å; E216-K219 PolarHBondContact O-N 2.94Å; E216-K219 WeakPolarHBondContact OE1-CD 3.45Å; E216-K219 IonicContact OE1-NZ 3.59Å; E216-K219 PolarHBondContact OE1-NZ 3.23Å; E216-D220 WeakPolarHBondContact O-CB 3.25Å; E216-D220 PolarHBondContact O-N 3.16Å |
| 217 | N | 78.9 | Confident | 76 | Confident | 94 Ų | 94 | 100.5 Ų | 100.5 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59 | -40.2 | 175.3 | -62.3 | -2.9 | 0 | 0 | 0 | 112.3 | Q213 E214 Q215 A221 | Q213-N217 PolarHBondContact NE2-OD1 3.1Å; Q213-N217 VanDerWaalsContact NE2-OD1 3.09Å; Q213-N217 PolarHBondContact O-N 2.96Å; Q213-N217 VanDerWaalsContact O-N 3.12Å; Q213-N217 PolarHBondContact O-OD1 3.39Å; Q213-N217 VanDerWaalsContact O-OD1 3.09Å; E214-N217 PolarHBondContact O-N 3.01Å; Q215-N217 VanDerWaalsContact C-N 3.33Å; N217-A221 VanDerWaalsContact O-CB 3.3Å; N217-A221 WeakPolarHBondContact O-CB 3.19Å; N217-A221 PolarHBondContact O-N 3Å |
| 218 | V | 79.4 | Confident | 76.9 | Confident | 52 Ų | 52 | 100.4 Ų | 100.4 | 32% | 0.315 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -71.4 | -39.9 | 177 | 168.1 | 0 | 0 | 0 | 0 | 111.9 | L206 L210 E214 Q215 E216 A221 L222 | L206-V218 HydrophobicContact CD1-CG1 4.49Å; L210-V218 HydrophobicContact CD1-CG2 4Å; E214-V218 WeakPolarHBondContact O-CB 3.32Å; E214-V218 WeakPolarHBondContact O-CG2 3.44Å; E214-V218 PolarHBondContact O-N 2.96Å; Q215-V218 PolarHBondContact O-N 2.75Å; E216-V218 VanDerWaalsContact C-N 3.32Å; E216-V218 PolarHBondContact O-N 3.37Å; V218-A221 PolarHBondContact O-N 3.12Å; V218-L222 HydrophobicContact CG1-CD1 3.92Å; V218-L222 HydrophobicContact CG1-CG 4.44Å; V218-L222 WeakPolarHBondContact O-CB 3.35Å; V218-L222 VanDerWaalsContact O-CG 3.25Å; V218-L222 WeakPolarHBondContact O-CG 3.4Å; V218-L222 PolarHBondContact O-N 2.79Å |
| 219 | K | 83.1 | Confident | 77.4 | Confident | 103 Ų | 103 | 94.7 Ų | 94.7 | 45% | 0.448 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 176 | -71.2 | 163.1 | -163.9 | 161.9 | 0 | 111.1 | Q215 E216 L222 S223 | Q215-K219 WeakPolarHBondContact O-CB 3.42Å; Q215-K219 VanDerWaalsContact O-CG 3.22Å; Q215-K219 WeakPolarHBondContact O-CG 3.38Å; Q215-K219 PolarHBondContact O-N 2.96Å; E216-K219 PolarHBondContact O-N 2.94Å; E216-K219 WeakPolarHBondContact OE1-CD 3.45Å; E216-K219 IonicContact OE1-NZ 3.59Å; E216-K219 PolarHBondContact OE1-NZ 3.23Å; K219-L222 PolarHBondContact O-N 3.33Å; K219-S223 WeakPolarHBondContact O-CB 3.36Å; K219-S223 PolarHBondContact O-N 3.13Å |
| 220 | D | 85.6 | Confident | 78.2 | Confident | 86 Ų | 86 | 93.2 Ų | 93.2 | 46% | 0.46 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.2 | -47.4 | 175.9 | -175.3 | 58.7 | 0 | 0 | 0 | 111.6 | E216 L222 S223 Q224 | E216-D220 WeakPolarHBondContact O-CB 3.25Å; E216-D220 PolarHBondContact O-N 3.16Å; D220-L222 VanDerWaalsContact C-N 3.29Å; D220-L222 PolarHBondContact O-N 3.02Å; D220-S223 CarbonylContact O-C 3.56Å; D220-S223 WeakPolarHBondContact O-CA 3.28Å; D220-S223 VanDerWaalsContact O-CB 3.28Å; D220-S223 WeakPolarHBondContact O-CB 3.4Å; D220-S223 PolarHBondContact O-N 2.7Å; D220-Q224 WeakPolarHBondContact O-CG 3.28Å; D220-Q224 PolarHBondContact O-N 3.5Å; D220-Q224 PolarHBondContact OD2-NE2 2.85Å |
| 221 | A | 80.3 | Confident | 79 | Confident | 45 Ų | 45 | 95.8 Ų | 95.8 | 37% | 0.372 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.7 | -39.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | N217 V218 L225 | N217-A221 VanDerWaalsContact O-CB 3.3Å; N217-A221 WeakPolarHBondContact O-CB 3.19Å; N217-A221 PolarHBondContact O-N 3Å; V218-A221 PolarHBondContact O-N 3.12Å; A221-L225 WeakPolarHBondContact O-CB 3.11Å; A221-L225 VanDerWaalsContact O-CG 3.25Å; A221-L225 WeakPolarHBondContact O-CG 3.39Å; A221-L225 PolarHBondContact O-N 2.95Å |
| 222 | L | 82 | Confident | 79.3 | Confident | 105 Ų | 105 | 95.8 Ų | 95.8 | 55% | 0.55 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.3 | -33.3 | 173.5 | -72.8 | 170.5 | 0 | 0 | 0 | 112.7 | V218 K219 D220 R226 | V218-L222 HydrophobicContact CG1-CD1 3.92Å; V218-L222 HydrophobicContact CG1-CG 4.44Å; V218-L222 WeakPolarHBondContact O-CB 3.35Å; V218-L222 VanDerWaalsContact O-CG 3.25Å; V218-L222 WeakPolarHBondContact O-CG 3.4Å; V218-L222 PolarHBondContact O-N 2.79Å; K219-L222 PolarHBondContact O-N 3.33Å; D220-L222 VanDerWaalsContact C-N 3.29Å; D220-L222 PolarHBondContact O-N 3.02Å; L222-R226 PolarHBondContact O-N 3.38Å |
| 223 | S | 83.7 | Confident | 79.1 | Confident | 66 Ų | 66 | 93.3 Ų | 93.3 | 46% | 0.462 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.2 | -49.1 | 173.7 | -165.5 | 0 | 0 | 0 | 0 | 111.4 | K219 D220 L225 R226 V227 | K219-S223 WeakPolarHBondContact O-CB 3.36Å; K219-S223 PolarHBondContact O-N 3.13Å; D220-S223 CarbonylContact O-C 3.56Å; D220-S223 WeakPolarHBondContact O-CA 3.28Å; D220-S223 VanDerWaalsContact O-CB 3.28Å; D220-S223 WeakPolarHBondContact O-CB 3.4Å; D220-S223 PolarHBondContact O-N 2.7Å; S223-L225 VanDerWaalsContact C-N 3.34Å; S223-L225 PolarHBondContact O-N 3.48Å; S223-R226 WeakPolarHBondContact O-CB 3.26Å; S223-R226 PolarHBondContact O-N 2.92Å; S223-R226 VanDerWaalsContact O-N 3.1Å; S223-V227 PolarHBondContact O-N 2.8Å |
| 224 | Q | 84.2 | Confident | 78.6 | Confident | 108 Ų | 108 | 92.7 Ų | 92.7 | 51% | 0.505 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -57.6 | -45.6 | 174 | -65.5 | -174.4 | 33.6 | 0 | 0 | 111.4 | D220 R226 V227 I228 | D220-Q224 WeakPolarHBondContact O-CG 3.28Å; D220-Q224 PolarHBondContact O-N 3.5Å; D220-Q224 PolarHBondContact OD2-NE2 2.85Å; Q224-R226 VanDerWaalsContact C-N 3.31Å; Q224-R226 PolarHBondContact O-N 2.99Å; Q224-V227 PolarHBondContact O-N 3.39Å; Q224-I228 VanDerWaalsContact O-CG1 3.3Å; Q224-I228 WeakPolarHBondContact O-CG1 3.46Å; Q224-I228 PolarHBondContact O-N 2.84Å |
| 225 | L | 81.1 | Confident | 78.4 | Confident | 111 Ų | 111 | 90.4 Ų | 90.4 | 58% | 0.581 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.1 | -34.9 | 176.1 | -77 | 170.5 | 0 | 0 | 0 | 112.8 | A221 S223 A229 | A221-L225 WeakPolarHBondContact O-CB 3.11Å; A221-L225 VanDerWaalsContact O-CG 3.25Å; A221-L225 WeakPolarHBondContact O-CG 3.39Å; A221-L225 PolarHBondContact O-N 2.95Å; S223-L225 VanDerWaalsContact C-N 3.34Å; S223-L225 PolarHBondContact O-N 3.48Å; L225-A229 WeakPolarHBondContact O-CB 3.42Å; L225-A229 PolarHBondContact O-N 3.1Å |
| 226 | R | 83.7 | Confident | 78.5 | Confident | 169 Ų | 169 | 92.7 Ų | 92.7 | 64% | 0.638 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.5 | -51.7 | 171.6 | 177.2 | -176.8 | -68.3 | -164.5 | 0.5 | 111.1 | L222 S223 Q224 I228 A229 E230 | L222-R226 PolarHBondContact O-N 3.38Å; S223-R226 WeakPolarHBondContact O-CB 3.26Å; S223-R226 PolarHBondContact O-N 2.92Å; S223-R226 VanDerWaalsContact O-N 3.1Å; Q224-R226 VanDerWaalsContact C-N 3.31Å; Q224-R226 PolarHBondContact O-N 2.99Å; R226-I228 VanDerWaalsContact C-N 3.31Å; R226-I228 PolarHBondContact O-N 2.75Å; R226-A229 PolarHBondContact O-N 2.96Å; R226-A229 VanDerWaalsContact O-N 3.1Å; R226-E230 VanDerWaalsContact CD-OE1 3.28Å; R226-E230 WeakPolarHBondContact CD-OE1 3.29Å; R226-E230 HydrophobicContact CG-CG 4.27Å; R226-E230 WeakPolarHBondContact CG-OE1 3.49Å; R226-E230 WeakPolarHBondContact O-CG 3.43Å; R226-E230 PolarHBondContact O-N 3.06Å |
| 227 | V | 82.2 | Confident | 78 | Confident | 90 Ų | 90 | 90.7 Ų | 90.7 | 55% | 0.545 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.8 | -44.4 | -178.5 | 174.9 | 0 | 0 | 0 | 0 | 110.9 | S223 Q224 E230 E231 | S223-V227 PolarHBondContact O-N 2.8Å; Q224-V227 PolarHBondContact O-N 3.39Å; V227-E230 PolarHBondContact O-N 3.43Å; V227-E231 WeakPolarHBondContact O-CB 3.3Å; V227-E231 PolarHBondContact O-N 3.37Å |
| 228 | I | 80.1 | Confident | 77.7 | Confident | 83 Ų | 83 | 89.5 Ų | 89.5 | 43% | 0.426 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 175.6 | -65.2 | 164.7 | 0 | 0 | 0 | 110.9 | Q224 R226 E230 E231 K232 | Q224-I228 VanDerWaalsContact O-CG1 3.3Å; Q224-I228 WeakPolarHBondContact O-CG1 3.46Å; Q224-I228 PolarHBondContact O-N 2.84Å; R226-I228 VanDerWaalsContact C-N 3.31Å; R226-I228 PolarHBondContact O-N 2.75Å; I228-E230 PolarHBondContact O-N 2.96Å; I228-E231 PolarHBondContact O-N 3.38Å; I228-K232 HydrophobicContact CG2-CG 4.32Å; I228-K232 WeakPolarHBondContact O-CB 3.35Å; I228-K232 VanDerWaalsContact O-CG 3.29Å; I228-K232 WeakPolarHBondContact O-CG 3.45Å; I228-K232 PolarHBondContact O-N 2.9Å |
| 229 | A | 74.2 | Confident | 77.7 | Confident | 46 Ų | 46 | 93 Ų | 93 | 38% | 0.38 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L225 R226 F233 | L225-A229 WeakPolarHBondContact O-CB 3.42Å; L225-A229 PolarHBondContact O-N 3.1Å; R226-A229 PolarHBondContact O-N 2.96Å; R226-A229 VanDerWaalsContact O-N 3.1Å; A229-F233 WeakPolarHBondContact O-CB 3.13Å; A229-F233 PolarHBondContact O-N 3.42Å |
| 230 | E | 76.9 | Confident | 77.2 | Confident | 105 Ų | 105 | 93.8 Ų | 93.8 | 49% | 0.491 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.1 | -45.7 | 176.8 | -73 | 174.1 | -168.5 | 0 | 0 | 111.5 | R226 V227 I228 F233 L234 | R226-E230 VanDerWaalsContact CD-OE1 3.28Å; R226-E230 WeakPolarHBondContact CD-OE1 3.29Å; R226-E230 HydrophobicContact CG-CG 4.27Å; R226-E230 WeakPolarHBondContact CG-OE1 3.49Å; R226-E230 WeakPolarHBondContact O-CG 3.43Å; R226-E230 PolarHBondContact O-N 3.06Å; V227-E230 PolarHBondContact O-N 3.43Å; I228-E230 PolarHBondContact O-N 2.96Å; E230-F233 PolarHBondContact O-N 3.28Å; E230-L234 WeakPolarHBondContact O-CB 3.46Å; E230-L234 VanDerWaalsContact O-CG 3.27Å; E230-L234 WeakPolarHBondContact O-CG 3.39Å; E230-L234 PolarHBondContact O-N 2.86Å |
| 231 | E | 76.9 | Confident | 76.9 | Confident | 106 Ų | 106 | 95.9 Ų | 95.9 | 50% | 0.495 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.3 | -48.5 | 175.8 | -172.1 | -123.9 | 125.1 | 0 | 0 | 111.7 | V227 I228 G235 | V227-E231 WeakPolarHBondContact O-CB 3.3Å; V227-E231 PolarHBondContact O-N 3.37Å; I228-E231 PolarHBondContact O-N 3.38Å; E231-G235 PolarHBondContact O-N 3.35Å |
| 232 | K | 78.7 | Confident | 76.6 | Confident | 115 Ų | 115 | 100.8 Ų | 100.8 | 50% | 0.5 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.4 | -36 | 177.1 | -61.2 | -47.7 | -179.5 | -113.9 | 0 | 112.1 | I228 G235 T236 | I228-K232 HydrophobicContact CG2-CG 4.32Å; I228-K232 WeakPolarHBondContact O-CB 3.35Å; I228-K232 VanDerWaalsContact O-CG 3.29Å; I228-K232 WeakPolarHBondContact O-CG 3.45Å; I228-K232 PolarHBondContact O-N 2.9Å; K232-G235 PolarHBondContact O-N 3.37Å; K232-T236 WeakPolarHBondContact O-CG2 3.27Å; K232-T236 PolarHBondContact O-N 3.18Å; K232-T236 PolarHBondContact O-OG1 3.03Å |
| 233 | F | 72.6 | Confident | 76.3 | Confident | 120 Ų | 120 | 100 Ų | 100 | 53% | 0.526 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66 | -49 | 176.7 | -170.1 | -103.2 | 0 | 0 | 0 | 111.3 | A229 E230 G235 T236 V237 | A229-F233 WeakPolarHBondContact O-CB 3.13Å; A229-F233 PolarHBondContact O-N 3.42Å; E230-F233 PolarHBondContact O-N 3.28Å; F233-G235 VanDerWaalsContact C-N 3.3Å; F233-G235 PolarHBondContact O-N 3.39Å; F233-T236 PolarHBondContact O-N 3.43Å; F233-T236 PolarHBondContact O-OG1 3.31Å; F233-V237 HydrophobicContact CD1-CG2 3.95Å; F233-V237 HydrophobicContact CE1-CG2 3.65Å; F233-V237 HydrophobicContact CZ-CG2 3.96Å; F233-V237 WeakPolarHBondContact O-CG2 3.34Å; F233-V237 PolarHBondContact O-N 2.96Å |
| 234 | L | 64.7 | Low | 75.7 | Confident | 113 Ų | 113 | 101.7 Ų | 101.7 | 59% | 0.592 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -55.4 | -44.9 | 173.3 | -73.2 | 167.1 | 0 | 0 | 0 | 111.4 | E230 T236 V237 E238 | E230-L234 WeakPolarHBondContact O-CB 3.46Å; E230-L234 VanDerWaalsContact O-CG 3.27Å; E230-L234 WeakPolarHBondContact O-CG 3.39Å; E230-L234 PolarHBondContact O-N 2.86Å; L234-T236 PolarHBondContact O-N 3.03Å; L234-V237 PolarHBondContact O-N 2.85Å; L234-E238 WeakPolarHBondContact O-CB 3.32Å; L234-E238 PolarHBondContact O-N 3.21Å |
| 235 | G | 70.3 | Confident | 75.3 | Confident | 44 Ų | 44 | 102 Ų | 102 | 45% | 0.454 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.8 | -42.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E231 K232 F233 K239 | E231-G235 PolarHBondContact O-N 3.35Å; K232-G235 PolarHBondContact O-N 3.37Å; F233-G235 VanDerWaalsContact C-N 3.3Å; F233-G235 PolarHBondContact O-N 3.39Å; G235-K239 WeakPolarHBondContact O-CB 3.33Å; G235-K239 PolarHBondContact O-N 3.03Å |
| 236 | T | 71.4 | Confident | 75 | Confident | 77 Ų | 77 | 103.4 Ų | 103.4 | 47% | 0.472 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70.2 | -39.2 | 175.2 | 56.8 | 0 | 0 | 0 | 0 | 113.4 | K232 F233 L234 K239 Q240 | K232-T236 WeakPolarHBondContact O-CG2 3.27Å; K232-T236 PolarHBondContact O-N 3.18Å; K232-T236 PolarHBondContact O-OG1 3.03Å; F233-T236 PolarHBondContact O-N 3.43Å; F233-T236 PolarHBondContact O-OG1 3.31Å; L234-T236 PolarHBondContact O-N 3.03Å; T236-K239 PolarHBondContact O-N 3.04Å; T236-Q240 WeakPolarHBondContact O-CB 3.4Å; T236-Q240 PolarHBondContact O-N 3.36Å |
| 237 | V | 69.2 | Low | 74.2 | Confident | 67 Ų | 67 | 98.7 Ų | 98.7 | 41% | 0.406 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.5 | -46.1 | 178.1 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | F233 L234 Q240 K241 | F233-V237 HydrophobicContact CD1-CG2 3.95Å; F233-V237 HydrophobicContact CE1-CG2 3.65Å; F233-V237 HydrophobicContact CZ-CG2 3.96Å; F233-V237 WeakPolarHBondContact O-CG2 3.34Å; F233-V237 PolarHBondContact O-N 2.96Å; L234-V237 PolarHBondContact O-N 2.85Å; V237-Q240 PolarHBondContact O-N 2.86Å; V237-K241 VanDerWaalsContact O-CB 3.22Å; V237-K241 WeakPolarHBondContact O-CB 3.22Å; V237-K241 PolarHBondContact O-N 3.39Å |
| 238 | E | 72.6 | Confident | 73.1 | Confident | 69 Ų | 69 | 97.5 Ų | 97.5 | 32% | 0.322 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.4 | -38.8 | 175.2 | -91 | -66.5 | 135.1 | 0 | 0 | 112.4 | L234 K241 R242 | L234-E238 WeakPolarHBondContact O-CB 3.32Å; L234-E238 PolarHBondContact O-N 3.21Å; E238-K241 VanDerWaalsContact OE1-CD 3.28Å; E238-K241 WeakPolarHBondContact OE1-CD 3.26Å; E238-K241 WeakPolarHBondContact OE1-CE 3.48Å; E238-K241 IonicContact OE1-NZ 3.45Å; E238-K241 PolarHBondContact OE1-NZ 3.46Å; E238-R242 VanDerWaalsContact O-CG 3.24Å; E238-R242 WeakPolarHBondContact O-CG 2.86Å; E238-R242 PolarHBondContact O-N 3.19Å; E238-R242 IonicContact OE2-CZ 3.42Å; E238-R242 IonicContact OE2-NE 2.65Å; E238-R242 PolarHBondContact OE2-NE 3.42Å; E238-R242 IonicContact OE2-NH2 3.31Å; E238-R242 PolarHBondContact OE2-NH2 3.12Å |
| 239 | K | 78.8 | Confident | 72 | Confident | 124 Ų | 124 | 101.5 Ų | 101.5 | 54% | 0.539 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.9 | -50.1 | 172.1 | -178.9 | -176.5 | 168.4 | -174.6 | 0 | 111.2 | G235 T236 K241 R242 E243 | G235-K239 WeakPolarHBondContact O-CB 3.33Å; G235-K239 PolarHBondContact O-N 3.03Å; T236-K239 PolarHBondContact O-N 3.04Å; K239-K241 VanDerWaalsContact C-N 3.34Å; K239-K241 PolarHBondContact O-N 3.05Å; K239-R242 WeakPolarHBondContact O-CB 3.24Å; K239-R242 PolarHBondContact O-N 2.89Å; K239-E243 WeakPolarHBondContact CE-OE1 3.43Å; K239-E243 IonicContact NZ-OE1 2.68Å; K239-E243 PolarHBondContact O-N 3.27Å |
| 240 | Q | 72.1 | Confident | 71.2 | Confident | 121 Ų | 121 | 108.2 Ų | 108.2 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.4 | -32.3 | -176.3 | -166.5 | 163.4 | 1.4 | 0 | 0 | 112.2 | T236 V237 E243 N244 | T236-Q240 WeakPolarHBondContact O-CB 3.4Å; T236-Q240 PolarHBondContact O-N 3.36Å; V237-Q240 PolarHBondContact O-N 2.86Å; Q240-E243 PolarHBondContact O-N 2.92Å; Q240-N244 WeakPolarHBondContact O-CB 3.45Å; Q240-N244 PolarHBondContact O-N 2.84Å |
| 241 | K | 80.1 | Confident | 70 | Confident | 129 Ų | 129 | 111.2 Ų | 111.2 | 56% | 0.561 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61 | -44.3 | 169.1 | 179.9 | -179.7 | 169.4 | -169.6 | 0 | 112 | V237 E238 K239 N244 Q245 | V237-K241 VanDerWaalsContact O-CB 3.22Å; V237-K241 WeakPolarHBondContact O-CB 3.22Å; V237-K241 PolarHBondContact O-N 3.39Å; E238-K241 VanDerWaalsContact OE1-CD 3.28Å; E238-K241 WeakPolarHBondContact OE1-CD 3.26Å; E238-K241 WeakPolarHBondContact OE1-CE 3.48Å; E238-K241 IonicContact OE1-NZ 3.45Å; E238-K241 PolarHBondContact OE1-NZ 3.46Å; K239-K241 VanDerWaalsContact C-N 3.34Å; K239-K241 PolarHBondContact O-N 3.05Å; K241-N244 PolarHBondContact O-N 3.03Å; K241-Q245 WeakPolarHBondContact O-CB 3.41Å; K241-Q245 PolarHBondContact O-N 3.4Å |
| 242 | R | 74.2 | Confident | 68.8 | Low | 148 Ų | 148 | 112.3 Ų | 112.3 | 56% | 0.558 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.6 | -36.8 | 174.1 | -67 | 167 | -158.9 | -169.3 | 5.1 | 112.3 | E238 K239 K246 | E238-R242 VanDerWaalsContact O-CG 3.24Å; E238-R242 WeakPolarHBondContact O-CG 2.86Å; E238-R242 PolarHBondContact O-N 3.19Å; E238-R242 IonicContact OE2-CZ 3.42Å; E238-R242 IonicContact OE2-NE 2.65Å; E238-R242 PolarHBondContact OE2-NE 3.42Å; E238-R242 IonicContact OE2-NH2 3.31Å; E238-R242 PolarHBondContact OE2-NH2 3.12Å; K239-R242 WeakPolarHBondContact O-CB 3.24Å; K239-R242 PolarHBondContact O-N 2.89Å; R242-K246 WeakPolarHBondContact O-CG 3.42Å; R242-K246 PolarHBondContact O-N 2.98Å |
| 243 | E | 75.8 | Confident | 67 | Low | 88 Ų | 88 | 113.4 Ų | 113.4 | 41% | 0.411 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.9 | -45.8 | 175.8 | -73.8 | 174.6 | 177.9 | 0 | 0 | 111.6 | K239 Q240 Q245 K246 V247 | K239-E243 WeakPolarHBondContact CE-OE1 3.43Å; K239-E243 IonicContact NZ-OE1 2.68Å; K239-E243 PolarHBondContact O-N 3.27Å; Q240-E243 PolarHBondContact O-N 2.92Å; E243-Q245 VanDerWaalsContact C-N 3.3Å; E243-Q245 PolarHBondContact O-N 3.13Å; E243-K246 WeakPolarHBondContact O-CB 3.45Å; E243-K246 PolarHBondContact O-N 3.36Å; E243-K246 VanDerWaalsContact O-N 3.13Å; E243-V247 WeakPolarHBondContact O-CG2 3.42Å; E243-V247 PolarHBondContact O-N 3.32Å |
| 244 | N | 70.8 | Confident | 65.5 | Low | 102 Ų | 102 | 118.1 Ų | 118.1 | 55% | 0.545 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -59.5 | -38.8 | 172.5 | -75.9 | -6.5 | 0 | 0 | 0 | 112.2 | Q240 K241 V247 S248 | Q240-N244 WeakPolarHBondContact O-CB 3.45Å; Q240-N244 PolarHBondContact O-N 2.84Å; K241-N244 PolarHBondContact O-N 3.03Å; N244-V247 PolarHBondContact O-N 2.85Å; N244-S248 WeakPolarHBondContact O-CB 3.34Å; N244-S248 PolarHBondContact O-N 2.93Å |
| 245 | Q | 75.1 | Confident | 64.4 | Low | 115 Ų | 115 | 118.2 Ų | 118.2 | 54% | 0.537 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.7 | -38.6 | 175.2 | -164.8 | -177.4 | 43 | 0 | 0 | 112.3 | K241 E243 R249 | K241-Q245 WeakPolarHBondContact O-CB 3.41Å; K241-Q245 PolarHBondContact O-N 3.4Å; E243-Q245 VanDerWaalsContact C-N 3.3Å; E243-Q245 PolarHBondContact O-N 3.13Å; Q245-R249 WeakPolarHBondContact O-CG 3.39Å; Q245-R249 PolarHBondContact O-N 3.5Å; Q245-R249 VanDerWaalsContact O-N 3.09Å |
| 246 | K | 75.4 | Confident | 62.8 | Low | 140 Ų | 140 | 122 Ų | 122 | 61% | 0.609 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.5 | -37.7 | 172.3 | -74.4 | 172.1 | -179.9 | -179.4 | 0 | 112.2 | R242 E243 R250 | R242-K246 WeakPolarHBondContact O-CG 3.42Å; R242-K246 PolarHBondContact O-N 2.98Å; E243-K246 WeakPolarHBondContact O-CB 3.45Å; E243-K246 PolarHBondContact O-N 3.36Å; E243-K246 VanDerWaalsContact O-N 3.13Å; K246-R250 PolarHBondContact O-N 3.47Å |
| 247 | V | 66.5 | Low | 61.3 | Low | 70 Ų | 70 | 127.9 Ų | 127.9 | 42% | 0.424 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -68.6 | -48.9 | 176.2 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | E243 N244 R249 R250 F251 | E243-V247 WeakPolarHBondContact O-CG2 3.42Å; E243-V247 PolarHBondContact O-N 3.32Å; N244-V247 PolarHBondContact O-N 2.85Å; V247-R249 PolarHBondContact O-N 3.27Å; V247-R250 WeakPolarHBondContact O-CA 3.28Å; V247-R250 VanDerWaalsContact O-CB 3.29Å; V247-R250 WeakPolarHBondContact O-CB 3.44Å; V247-R250 PolarHBondContact O-N 2.68Å; V247-F251 HydrophobicContact CG1-CD2 3.86Å; V247-F251 HydrophobicContact CG1-CE2 3.72Å; V247-F251 WeakPolarHBondContact O-CD2 3.48Å; V247-F251 PolarHBondContact O-N 3.36Å; V247-F251 VanDerWaalsContact O-N 3.15Å |
| 248 | S | 59 | Low | 59.7 | Low | 65 Ų | 65 | 127.9 Ų | 127.9 | 46% | 0.455 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -57.4 | -47.3 | 178.9 | 179.9 | 0 | 0 | 0 | 0 | 112.3 | N244 R250 F251 I252 | N244-S248 WeakPolarHBondContact O-CB 3.34Å; N244-S248 PolarHBondContact O-N 2.93Å; S248-R250 PolarHBondContact O-N 3.25Å; S248-R250 VanDerWaalsContact O-N 3.15Å; S248-F251 PolarHBondContact O-N 3.13Å; S248-I252 PolarHBondContact O-N 3.21Å |
| 249 | R | 57.8 | Low | 57.9 | Low | 168 Ų | 168 | 134.2 Ų | 134.2 | 63% | 0.634 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -58.7 | -27.4 | 173.2 | -73.4 | -177.4 | 178.4 | -167.7 | 0.6 | 113.6 | Q245 V247 | Q245-R249 WeakPolarHBondContact O-CG 3.39Å; Q245-R249 PolarHBondContact O-N 3.5Å; Q245-R249 VanDerWaalsContact O-N 3.09Å; V247-R249 PolarHBondContact O-N 3.27Å |
| 250 | R | 56.2 | Low | 55.9 | Low | 187 Ų | 187 | 132.8 Ų | 132.8 | 71% | 0.706 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -80.3 | -23.4 | 178.1 | -159.2 | -175.9 | -63.8 | -177.2 | -2.2 | 113 | K246 V247 S248 | K246-R250 PolarHBondContact O-N 3.47Å; V247-R250 WeakPolarHBondContact O-CA 3.28Å; V247-R250 VanDerWaalsContact O-CB 3.29Å; V247-R250 WeakPolarHBondContact O-CB 3.44Å; V247-R250 PolarHBondContact O-N 2.68Å; S248-R250 PolarHBondContact O-N 3.25Å; S248-R250 VanDerWaalsContact O-N 3.15Å |
| 251 | F | 51.1 | Low | 54.2 | Low | 167 Ų | 167 | 139.1 Ų | 139.1 | 73% | 0.732 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -82 | -31.6 | 173.2 | -85.3 | -80.6 | 0 | 0 | 0 | 113 | V247 S248 L253 | V247-F251 HydrophobicContact CG1-CD2 3.86Å; V247-F251 HydrophobicContact CG1-CE2 3.72Å; V247-F251 WeakPolarHBondContact O-CD2 3.48Å; V247-F251 PolarHBondContact O-N 3.36Å; V247-F251 VanDerWaalsContact O-N 3.15Å; S248-F251 PolarHBondContact O-N 3.13Å; F251-L253 VanDerWaalsContact C-N 3.28Å; F251-L253 PolarHBondContact O-N 3.06Å |
| 252 | I | 53.1 | Low | 52.3 | Low | 130 Ų | 130 | 139.2 Ų | 139.2 | 67% | 0.667 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -74 | -18.5 | -179.8 | -64.5 | 167.1 | 0 | 0 | 0 | 112.4 | S248 | S248-I252 PolarHBondContact O-N 3.21Å |
| 253 | L | 40.8 | Very low | 50.5 | Low | 137 Ų | 137 | 138.1 Ų | 138.1 | 72% | 0.717 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.3 | 52.9 | -172.5 | -67.1 | 173.4 | 0 | 0 | 0 | 113.9 | F251 | F251-L253 VanDerWaalsContact C-N 3.28Å; F251-L253 PolarHBondContact O-N 3.06Å |
| 254 | R | 40.9 | Very low | 48.6 | Very low | 219 Ų | 219 | 137.2 Ų | 137.2 | 83% | 0.826 | 72% | 0.72 | S | S | * | * | trans | -114.6 | 97.8 | 158.2 | -83.3 | -167.5 | 171.3 | -163.7 | -1.9 | 110.8 | C256 | R254-C256 PolarHBondContact O-N 2.95Š| ||
| 255 | P | 40.7 | Very low | 47.2 | Very low | 115 Ų | 115 | 140.8 Ų | 140.8 | 75% | 0.747 | 73% | 0.731 | S | S | * | * | trans | -65.8 | 126.7 | 165.5 | -15.8 | 30.5 | 0 | 0 | 0 | 109.9 | H257 | P255-H257 VanDerWaalsContact C-N 3.32Å; P255-H257 PolarHBondContact O-N 3.04Å | ||
| 256 | C | 37 | Very low | 45.2 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 85% | 0.845 | 75% | 0.749 | S | S | * | * | trans | -77.4 | 77.3 | 178.5 | -63.6 | 0 | 0 | 0 | 0 | 111.8 | R254 G258 | R254-C256 PolarHBondContact O-N 2.95Å; C256-G258 PolarHBondContact O-N 2.86Å | ||
| 257 | H | 39.9 | Very low | 43.8 | Very low | 199 Ų | 199 | 145 Ų | 145 | 92% | 0.921 | 76% | 0.759 | S | S | * | * | trans | -83.1 | 93.5 | 158.6 | -88.2 | -32.4 | 0 | 0 | 0 | 109.3 | P255 | P255-H257 VanDerWaalsContact C-N 3.32Å; P255-H257 PolarHBondContact O-N 3.04Å | ||
| 258 | G | 36.6 | Very low | 42.7 | Very low | 68 Ų | 68 | 144.9 Ų | 144.9 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 177.8 | 129 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | C256 | C256-G258 PolarHBondContact O-N 2.86Š|
| 259 | Q | 33.5 | Very low | 42 | Very low | 202 Ų | 202 | 151.5 Ų | 151.5 | 94% | 0.944 | 79% | 0.793 | S | S | * | * | trans | -70.1 | 138.7 | -173.9 | -60 | 162.1 | -8.9 | 0 | 0 | 112.5 | ||||
| 260 | A | 37.2 | Very low | 41.5 | Very low | 93 Ų | 93 | 148.3 Ų | 148.3 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -159.7 | 114.1 | 147 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 261 | R | 35.5 | Very low | 40.6 | Very low | 254 Ų | 254 | 142.5 Ų | 142.5 | 96% | 0.958 | 79% | 0.792 | S | S | * | * | trans | -96.7 | 92.3 | 170.3 | -79.6 | -178.4 | 171 | 179.7 | -2.6 | 109.9 | ||||
| 262 | T | 40.8 | Very low | 40.4 | Very low | 132 Ų | 132 | 140.2 Ų | 140.2 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | trans | -155.6 | 143.4 | 157.3 | 35.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 263 | S | 36.8 | Very low | 40.3 | Very low | 125 Ų | 125 | 145 Ų | 145 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -32.2 | 128.8 | 172.6 | 50.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 264 | G | 36.1 | Very low | 40.6 | Very low | 68 Ų | 68 | 145.1 Ų | 145.1 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | S | Bend | trans | 143.9 | 85.3 | 157 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 265 | K | 40.4 | Very low | 40.9 | Very low | 178 Ų | 178 | 138.8 Ų | 138.8 | 77% | 0.774 | 78% | 0.783 | S | S | * | * | trans | 46.8 | 71.3 | 158 | -62.1 | -179.6 | 179 | 176.9 | 0 | 116.8 | Y267 | K265-Y267 HydrophobicContact CB-CE2 4.22Å; K265-Y267 PolarHBondContact O-N 3.35Å | ||
| 266 | C | 33.6 | Very low | 41 | Very low | 135 Ų | 135 | 140.7 Ų | 140.7 | 91% | 0.912 | 78% | 0.782 | S | S | * | * | trans | -66.9 | 109.9 | 159 | -60 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 267 | Y | 46.9 | Very low | 41.5 | Very low | 207 Ų | 207 | 138.4 Ų | 138.4 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 129.7 | 171.8 | -79.3 | -95.3 | 0 | 0 | 0 | 110.1 | K265 | K265-Y267 HydrophobicContact CB-CE2 4.22Å; K265-Y267 PolarHBondContact O-N 3.35Å |
| 268 | G | 42.4 | Very low | 41.8 | Very low | 69 Ų | 69 | 137.9 Ų | 137.9 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -71 | 167.8 | -175 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 269 | K | 44.3 | Very low | 42.2 | Very low | 204 Ų | 204 | 140.3 Ų | 140.3 | 89% | 0.887 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 134 | 174.1 | -60.6 | 173.9 | -179.1 | 175.9 | 0 | 110.1 | G271 | K269-G271 PolarHBondContact O-N 3.21Š|
| 270 | P | 48 | Very low | 42.6 | Very low | 100 Ų | 100 | 137.1 Ų | 137.1 | 65% | 0.649 | 74% | 0.743 | S | S | * | * | trans | -73.3 | 74.5 | 172.7 | 30.8 | -34.8 | 0 | 0 | 0 | 110.6 | T272 E275 | P270-T272 VanDerWaalsContact C-N 3.33Å; P270-T272 PolarHBondContact O-N 3.06Å; P270-E275 HydrophobicContact CB-CB 4.27Å; P270-E275 HydrophobicContact CB-CG 4.35Å | ||
| 271 | G | 37.2 | Very low | 42.6 | Very low | 66 Ų | 66 | 139.7 Ų | 139.7 | 68% | 0.68 | 74% | 0.736 | S | S | * | * | trans | -86.2 | 61.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K269 | K269-G271 PolarHBondContact O-N 3.21Š| ||
| 272 | T | 45.9 | Very low | 43.2 | Very low | 118 Ų | 118 | 133.5 Ų | 133.5 | 72% | 0.724 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -169.3 | 155.3 | 162.8 | 8.6 | 0 | 0 | 0 | 0 | 111.7 | P270 N274 | P270-T272 VanDerWaalsContact C-N 3.33Å; P270-T272 PolarHBondContact O-N 3.06Å; T272-N274 PolarHBondContact O-N 3.15Å |
| 273 | R | 51.2 | Low | 43.5 | Very low | 232 Ų | 232 | 134.5 Ų | 134.5 | 88% | 0.875 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | 16.1 | -168.3 | -145.9 | 177.5 | -169.3 | 171.6 | 1.7 | 115.8 | ||
| 274 | N | 48.8 | Very low | 43.9 | Very low | 139 Ų | 139 | 138.3 Ų | 138.3 | 74% | 0.743 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.6 | -13.2 | -169.8 | -75.3 | -13 | 0 | 0 | 0 | 114.8 | T272 | T272-N274 PolarHBondContact O-N 3.15Š|
| 275 | E | 45.7 | Very low | 43.8 | Very low | 85 Ų | 85 | 138.5 Ų | 138.5 | 40% | 0.397 | 72% | 0.723 | S | S | . | * | S | Bend | trans | -75.8 | -24.1 | -176.4 | -150.6 | 77.8 | -121.6 | 0 | 0 | 112.9 | P270 A277 R278 | P270-E275 HydrophobicContact CB-CB 4.27Å; P270-E275 HydrophobicContact CB-CG 4.35Å; E275-A277 PolarHBondContact O-N 3.15Å; E275-R278 PolarHBondContact O-N 2.93Å; E275-R278 WeakPolarHBondContact OE1-CD 3.29Å; E275-R278 IonicContact OE1-NH1 2.9Å; E275-R278 PolarHBondContact OE1-NH1 3.09Å |
| 276 | E | 42.8 | Very low | 43.7 | Very low | 155 Ų | 155 | 132.2 Ų | 132.2 | 72% | 0.724 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -59.6 | -33.3 | -179.6 | -64.9 | -175.1 | 121.4 | 0 | 0 | 112.4 | R278 I279 E280 | E276-R278 PolarHBondContact O-N 3.41Å; E276-I279 PolarHBondContact O-N 3.18Å; E276-I279 VanDerWaalsContact O-N 3.13Å; E276-E280 PolarHBondContact O-N 3.45Å |
| 277 | A | 47.4 | Very low | 43.9 | Very low | 77 Ų | 77 | 136.5 Ų | 136.5 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -63.4 | -21.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114 | E275 | E275-A277 PolarHBondContact O-N 3.15Å |
| 278 | R | 46.5 | Very low | 43.8 | Very low | 188 Ų | 188 | 135.1 Ų | 135.1 | 71% | 0.709 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -81.6 | -27.6 | 175.3 | -91.4 | 177.9 | 159.9 | 172.5 | -5 | 113.4 | E275 E276 | E275-R278 PolarHBondContact O-N 2.93Å; E275-R278 WeakPolarHBondContact OE1-CD 3.29Å; E275-R278 IonicContact OE1-NH1 2.9Å; E275-R278 PolarHBondContact OE1-NH1 3.09Å; E276-R278 PolarHBondContact O-N 3.41Å |
| 279 | I | 46.3 | Very low | 43.8 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 61% | 0.61 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -84 | -33.6 | -175.2 | -57.6 | 179.6 | 0 | 0 | 0 | 110.8 | E276 F281 | E276-I279 PolarHBondContact O-N 3.18Å; E276-I279 VanDerWaalsContact O-N 3.13Å; I279-F281 PolarHBondContact O-N 3.23Å |
| 280 | E | 42.1 | Very low | 43.7 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 64% | 0.636 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -61.6 | -25.3 | 172.1 | -75.6 | -144.1 | 137.6 | 0 | 0 | 113.8 | E276 V282 I283 | E276-E280 PolarHBondContact O-N 3.45Å; E280-V282 PolarHBondContact O-N 2.9Å; E280-I283 VanDerWaalsContact O-CA 3.26Å; E280-I283 WeakPolarHBondContact O-CA 3.4Å; E280-I283 PolarHBondContact O-N 3.45Å |
| 281 | F | 36.9 | Very low | 43.4 | Very low | 146 Ų | 146 | 134.5 Ų | 134.5 | 64% | 0.64 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -69.1 | -32.9 | -173.6 | -152.1 | -94.3 | 0 | 0 | 0 | 113.1 | I279 I283 R284 | I279-F281 PolarHBondContact O-N 3.23Å; F281-I283 PolarHBondContact O-N 2.94Å; F281-R284 PolarHBondContact O-N 3.42Å |
| 282 | V | 46.9 | Very low | 43.8 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 75% | 0.752 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -69.9 | -21.6 | 172.1 | -171.8 | 0 | 0 | 0 | 0 | 111.2 | E280 R284 | E280-V282 PolarHBondContact O-N 2.9Å; V282-R284 PolarHBondContact O-N 3.36Å |
| 283 | I | 47.9 | Very low | 43.7 | Very low | 153 Ų | 153 | 144 Ų | 144 | 79% | 0.785 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -54.5 | -26 | 171.9 | 22.4 | 164.3 | 0 | 0 | 0 | 114.9 | E280 F281 | E280-I283 VanDerWaalsContact O-CA 3.26Å; E280-I283 WeakPolarHBondContact O-CA 3.4Å; E280-I283 PolarHBondContact O-N 3.45Å; F281-I283 PolarHBondContact O-N 2.94Å |
| 284 | R | 45.5 | Very low | 43.3 | Very low | 205 Ų | 205 | 136.2 Ų | 136.2 | 77% | 0.774 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -132.2 | 14.5 | -146 | -126.1 | 171.7 | -178.5 | 162.1 | -1.1 | 116.8 | F281 V282 G286 | F281-R284 PolarHBondContact O-N 3.42Å; V282-R284 PolarHBondContact O-N 3.36Å; R284-G286 VanDerWaalsContact C-N 3.33Å; R284-G286 PolarHBondContact O-N 3.22Å |
| 285 | G | 33.7 | Very low | 43.2 | Very low | 73 Ų | 73 | 139.1 Ų | 139.1 | 75% | 0.753 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68 | 25.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 286 | G | 37.6 | Very low | 42.9 | Very low | 46 Ų | 46 | 144.6 Ų | 144.6 | 47% | 0.474 | 75% | 0.751 | S | S | . | * | P | Polyproline II helix | trans | -69.5 | 133.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | R284 | R284-G286 VanDerWaalsContact C-N 3.33Å; R284-G286 PolarHBondContact O-N 3.22Å |
| 287 | Y | 37.5 | Very low | 42.9 | Very low | 224 Ų | 224 | 140.4 Ų | 140.4 | 88% | 0.878 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 143.1 | 176 | -94.2 | -120.9 | 0 | 0 | 0 | 112.4 | P289 | Y287-P289 WeakPolarHBondContact O-CD 3.43Š|
| 288 | H | 44.5 | Very low | 42.8 | Very low | 178 Ų | 178 | 145.7 Ų | 145.7 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 121.9 | 167.6 | -107.1 | -79.4 | 0 | 0 | 0 | 111 | ||
| 289 | P | 44 | Very low | 42.6 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -74 | 136.7 | 154.2 | 31 | -31.2 | 0 | 0 | 0 | 109.4 | Y287 A291 | Y287-P289 WeakPolarHBondContact O-CD 3.43Å; P289-A291 PolarHBondContact O-N 2.95Å |
| 290 | I | 41.4 | Very low | 42.4 | Very low | 157 Ų | 157 | 144.8 Ų | 144.8 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 124.7 | -177.6 | -64 | 167.1 | 0 | 0 | 0 | 110 | R292 | I290-R292 PolarHBondContact O-N 3.38Š|
| 291 | A | 42.6 | Very low | 42.4 | Very low | 92 Ų | 92 | 145.3 Ų | 145.3 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | -71.3 | 97 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | P289 T293 | P289-A291 PolarHBondContact O-N 2.95Å; A291-T293 PolarHBondContact O-N 3.03Å | ||
| 292 | R | 44.4 | Very low | 42.7 | Very low | 239 Ų | 239 | 145.3 Ų | 145.3 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | trans | -69.5 | 106.9 | 170.7 | -77.9 | -176.8 | 169.2 | -178.2 | -3.4 | 110.1 | I290 G294 | I290-R292 PolarHBondContact O-N 3.38Å; R292-G294 PolarHBondContact O-N 2.8Å | ||
| 293 | T | 45 | Very low | 42.5 | Very low | 144 Ų | 144 | 146.6 Ų | 146.6 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | trans | -69.5 | 93.7 | 168.6 | 48.4 | 0 | 0 | 0 | 0 | 110.2 | A291 | A291-T293 PolarHBondContact O-N 3.03Š| ||
| 294 | G | 42.9 | Very low | 42.1 | Very low | 68 Ų | 68 | 146.2 Ų | 146.2 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | trans | -89.7 | 108.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R292 | R292-G294 PolarHBondContact O-N 2.8Š| ||
| 295 | K | 45.4 | Very low | 41.9 | Very low | 201 Ų | 201 | 142 Ų | 142 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | trans | 41.5 | 108.4 | 154 | -59.7 | -174.8 | 177.6 | -173.2 | 0 | 118.5 | ||||
| 296 | H | 38.8 | Very low | 42.5 | Very low | 199 Ų | 199 | 147.3 Ų | 147.3 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | -72.8 | 146.7 | 128.1 | -96.1 | -83.4 | 0 | 0 | 0 | 108.5 | |||||
| 297 | G | 44.3 | Very low | 42.9 | Very low | 67 Ų | 67 | 155.8 Ų | 155.8 | 69% | 0.691 | 86% | 0.857 | S | S | * | * | trans | 171.1 | 111.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 298 | S | 44.3 | Very low | 43.4 | Very low | 188 Ų | 188 | 149.5 Ų | 149.5 | 100% | 1.315 | 86% | 0.855 | S | S | * | * | trans | 63.9 | 0 | -159.4 | -163.9 | 0 | 0 | 0 | 0 | 114.5 |
Retrieved 298 of 298 residues in 340.6 ms
(Link to these results)