| 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 | 44.5 | Very low | 52.5 | Low | 244 Ų | 244 | 164.5 Ų | 164.5 | 100% | 1.202 | 83% | 0.825 | S | S | * | * | 0 | 108.1 | 0 | -77.7 | 164.5 | 160.8 | 0 | 0 | 108.6 | |||||
| 2 | Q | 43.5 | Very low | 53.5 | Low | 193 Ų | 193 | 156.7 Ų | 156.7 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | trans | -153.5 | 131.1 | 143.1 | -110.7 | 171.5 | 15.3 | 0 | 0 | 105.8 | ||||
| 3 | L | 48.7 | Very low | 54.8 | Low | 154 Ų | 154 | 155.3 Ų | 155.3 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | trans | -83.6 | 116.3 | -168.5 | -157.8 | 75.1 | 0 | 0 | 0 | 107.2 | D5 | L3-D5 PolarHBondContact O-N 3.12Š| ||
| 4 | N | 48.9 | Very low | 56.5 | Low | 143 Ų | 143 | 158.1 Ų | 158.1 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | trans | -72.9 | 99.7 | 170.8 | -74.6 | -11.3 | 0 | 0 | 0 | 107.6 | E6 | N4-E6 PolarHBondContact O-N 3.26Š| ||
| 5 | D | 54.5 | Low | 58.2 | Low | 143 Ų | 143 | 152.1 Ų | 152.1 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | trans | -65.7 | 78.8 | 168.9 | -106.5 | -72.2 | 0 | 0 | 0 | 109.3 | L3 V7 | L3-D5 PolarHBondContact O-N 3.12Å; D5-V7 VanDerWaalsContact C-N 3.3Å; D5-V7 PolarHBondContact O-N 2.98Å | ||
| 6 | E | 53.8 | Low | 59.9 | Low | 176 Ų | 176 | 148.5 Ų | 148.5 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | trans | -77.3 | 85.6 | -179.4 | -158.5 | 164.9 | 114.2 | 0 | 0 | 109 | N4 P8 | N4-E6 PolarHBondContact O-N 3.26Å; E6-P8 WeakPolarHBondContact O-CD 3.11Å | ||
| 7 | V | 54.1 | Low | 61.5 | Low | 118 Ų | 118 | 142.7 Ų | 142.7 | 72% | 0.715 | 73% | 0.733 | S | S | * | * | trans | -45.6 | 111 | 178.4 | 177.4 | 0 | 0 | 0 | 0 | 109.1 | D5 | D5-V7 VanDerWaalsContact C-N 3.3Å; D5-V7 PolarHBondContact O-N 2.98Å | ||
| 8 | P | 57.7 | Low | 63 | Low | 105 Ų | 105 | 143.7 Ų | 143.7 | 68% | 0.682 | 73% | 0.731 | S | S | * | * | trans | -61.6 | 133.4 | -170.2 | 21.8 | -32.2 | 0 | 0 | 0 | 109 | E6 K10 | E6-P8 WeakPolarHBondContact O-CD 3.11Å; P8-K10 PolarHBondContact O-N 3.02Å | ||
| 9 | P | 55.8 | Low | 64.3 | Low | 104 Ų | 104 | 139.6 Ų | 139.6 | 68% | 0.675 | 72% | 0.716 | S | S | * | * | trans | -57.8 | 135.5 | -169.6 | 22 | -33.3 | 0 | 0 | 0 | 109.4 | R11 | P9-R11 PolarHBondContact O-N 3.16Š| ||
| 10 | K | 55.4 | Low | 65.6 | Low | 208 Ų | 208 | 135.3 Ų | 135.3 | 90% | 0.904 | 70% | 0.702 | S | S | * | * | trans | -64.1 | 71.6 | 172.2 | -68.1 | -179.6 | 179.8 | 176.4 | 0 | 109.4 | P8 S12 | P8-K10 PolarHBondContact O-N 3.02Å; K10-S12 PolarHBondContact O-N 3.34Å | ||
| 11 | R | 60.5 | Low | 66.9 | Low | 222 Ų | 222 | 133.2 Ų | 133.2 | 84% | 0.838 | 70% | 0.695 | S | S | * | * | trans | -55.5 | 116 | 178.2 | -91.6 | -175.3 | 169 | 174.8 | -2.3 | 106.5 | P9 L13 | P9-R11 PolarHBondContact O-N 3.16Å; R11-L13 PolarHBondContact O-N 3.32Å | ||
| 12 | S | 65.4 | Low | 69.2 | Low | 70 Ų | 70 | 124 Ų | 124 | 49% | 0.49 | 66% | 0.657 | S | S | . | * | trans | -53.9 | 110.8 | -176.4 | -171.9 | 0 | 0 | 0 | 0 | 108.5 | K10 R14 P15 | K10-S12 PolarHBondContact O-N 3.34Å; S12-R14 PolarHBondContact O-N 3.48Å; S12-P15 WeakPolarHBondContact O-CD 3.47Å; S12-P15 VanDerWaalsContact O-CG 3.23Å; S12-P15 WeakPolarHBondContact O-CG 3.22Å; S12-P15 VanDerWaalsContact OG-CD 3.29Å; S12-P15 WeakPolarHBondContact OG-CD 3.25Å | ||
| 13 | L | 69.7 | Low | 71.6 | Confident | 139 Ų | 139 | 122.1 Ų | 122.1 | 73% | 0.728 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -66.6 | -22.6 | -178.3 | -168.1 | 66.9 | 0 | 0 | 0 | 111 | R11 V16 A17 | R11-L13 PolarHBondContact O-N 3.32Å; L13-V16 PolarHBondContact O-N 3.29Å; L13-A17 WeakPolarHBondContact O-CB 3.34Å; L13-A17 PolarHBondContact O-N 3.41Å |
| 14 | R | 79.3 | Confident | 73.7 | Confident | 195 Ų | 195 | 118.4 Ų | 118.4 | 74% | 0.736 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -58 | -59.1 | -178.4 | -64.4 | -179.5 | 177 | 176.8 | -1.5 | 113.2 | S12 V16 A17 F18 | S12-R14 PolarHBondContact O-N 3.48Å; R14-V16 VanDerWaalsContact C-N 3.3Å; R14-V16 PolarHBondContact O-N 3.48Å; R14-A17 PolarHBondContact O-N 3.46Å; R14-F18 WeakPolarHBondContact O-CD2 3.39Å; R14-F18 PolarHBondContact O-N 3.32Å |
| 15 | P | 82.1 | Confident | 75.9 | Confident | 67 Ų | 67 | 115 Ų | 115 | 44% | 0.435 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -58.5 | -38.6 | 177.2 | 21.9 | -34.8 | 0 | 0 | 0 | 113 | S12 A17 F18 C19 | S12-P15 WeakPolarHBondContact O-CD 3.47Å; S12-P15 VanDerWaalsContact O-CG 3.23Å; S12-P15 WeakPolarHBondContact O-CG 3.22Å; S12-P15 VanDerWaalsContact OG-CD 3.29Å; S12-P15 WeakPolarHBondContact OG-CD 3.25Å; P15-A17 PolarHBondContact O-N 3.41Å; P15-F18 PolarHBondContact O-N 3.46Å; P15-C19 WeakPolarHBondContact O-CB 3.17Å; P15-C19 PolarHBondContact O-N 3.48Å; P15-C19 PolarHBondContact O-SG 3.42Å |
| 16 | V | 85.6 | Confident | 77.8 | Confident | 95 Ų | 95 | 112.7 Ų | 112.7 | 58% | 0.576 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -62.8 | -44.6 | 177.4 | -176 | 0 | 0 | 0 | 0 | 110.9 | L13 R14 C19 A20 | L13-V16 PolarHBondContact O-N 3.29Å; R14-V16 VanDerWaalsContact C-N 3.3Å; R14-V16 PolarHBondContact O-N 3.48Å; V16-C19 PolarHBondContact O-N 3.47Å; V16-A20 WeakPolarHBondContact O-CB 3.23Å; V16-A20 PolarHBondContact O-N 3.08Å |
| 17 | A | 87.1 | Confident | 79.8 | Confident | 50 Ų | 50 | 106.9 Ų | 106.9 | 41% | 0.413 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.6 | -43.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L13 R14 P15 A20 V21 | L13-A17 WeakPolarHBondContact O-CB 3.34Å; L13-A17 PolarHBondContact O-N 3.41Å; R14-A17 PolarHBondContact O-N 3.46Å; P15-A17 PolarHBondContact O-N 3.41Å; A17-A20 PolarHBondContact O-N 3.35Å; A17-V21 WeakPolarHBondContact O-CG2 3.24Å; A17-V21 PolarHBondContact O-N 3.37Å |
| 18 | F | 88.2 | Confident | 81.8 | Confident | 160 Ų | 160 | 105.7 Ų | 105.7 | 70% | 0.702 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.1 | -43.3 | 176 | -82.5 | -65.8 | 0 | 0 | 0 | 112.2 | R14 P15 V21 A22 | R14-F18 WeakPolarHBondContact O-CD2 3.39Å; R14-F18 PolarHBondContact O-N 3.32Å; P15-F18 PolarHBondContact O-N 3.46Å; F18-V21 PolarHBondContact O-N 3.48Å; F18-A22 VanDerWaalsContact O-CB 3.31Å; F18-A22 WeakPolarHBondContact O-CB 3.44Å; F18-A22 PolarHBondContact O-N 3.37Å |
| 19 | C | 87.5 | Confident | 83.5 | Confident | 66 Ų | 66 | 105.6 Ų | 105.6 | 45% | 0.446 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60.7 | -45.7 | 173.6 | -70.4 | 0 | 0 | 0 | 0 | 111.6 | P15 V16 V21 A22 F23 | P15-C19 WeakPolarHBondContact O-CB 3.17Å; P15-C19 PolarHBondContact O-N 3.48Å; P15-C19 PolarHBondContact O-SG 3.42Å; V16-C19 PolarHBondContact O-N 3.47Å; C19-V21 VanDerWaalsContact C-N 3.34Å; C19-V21 PolarHBondContact O-N 3.41Å; C19-A22 PolarHBondContact O-N 3.45Å; C19-F23 HydrophobicContact CB-CD2 4.33Å; C19-F23 HydrophobicContact CB-CE2 4.19Å; C19-F23 WeakPolarHBondContact O-CD2 3.34Å; C19-F23 PolarHBondContact O-N 3.35Å |
| 20 | A | 89.9 | Confident | 85.4 | Confident | 53 Ų | 53 | 103.7 Ų | 103.7 | 44% | 0.438 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.3 | -39.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | V16 A17 S24 | V16-A20 WeakPolarHBondContact O-CB 3.23Å; V16-A20 PolarHBondContact O-N 3.08Å; A17-A20 PolarHBondContact O-N 3.35Å; A20-S24 WeakPolarHBondContact O-CB 3.33Å; A20-S24 PolarHBondContact O-N 3.44Å; A20-S24 VanDerWaalsContact O-N 3.1Å; A20-S24 PolarHBondContact O-OG 3.45Å |
| 21 | V | 93.3 | Very high | 87.3 | Confident | 93 Ų | 93 | 97 Ų | 97 | 56% | 0.564 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.1 | -43.9 | 174.1 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | A17 F18 C19 S24 T25 | A17-V21 WeakPolarHBondContact O-CG2 3.24Å; A17-V21 PolarHBondContact O-N 3.37Å; F18-V21 PolarHBondContact O-N 3.48Å; C19-V21 VanDerWaalsContact C-N 3.34Å; C19-V21 PolarHBondContact O-N 3.41Å; V21-S24 PolarHBondContact O-N 3.18Å; V21-T25 HydrophobicContact CG1-CG2 4.42Å; V21-T25 WeakPolarHBondContact O-CG2 3.37Å; V21-T25 PolarHBondContact O-N 3.14Å; V21-T25 PolarHBondContact O-OG1 2.96Å |
| 22 | A | 92.3 | Very high | 89 | Confident | 49 Ų | 49 | 90.9 Ų | 90.9 | 41% | 0.405 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F18 C19 T25 V26 | F18-A22 VanDerWaalsContact O-CB 3.31Å; F18-A22 WeakPolarHBondContact O-CB 3.44Å; F18-A22 PolarHBondContact O-N 3.37Å; C19-A22 PolarHBondContact O-N 3.45Å; A22-T25 PolarHBondContact O-N 2.86Å; A22-T25 PolarHBondContact O-OG1 3.4Å; A22-T25 VanDerWaalsContact O-OG1 3.04Å; A22-V26 WeakPolarHBondContact O-CB 3.27Å; A22-V26 VanDerWaalsContact O-CG2 3.29Å; A22-V26 WeakPolarHBondContact O-CG2 3.17Å; A22-V26 PolarHBondContact O-N 3.31Å |
| 23 | F | 93.3 | Very high | 90.3 | Very high | 154 Ų | 154 | 92.6 Ų | 92.6 | 68% | 0.675 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.2 | -40.3 | 174.9 | -74.1 | -61.1 | 0 | 0 | 0 | 111.7 | C19 A27 | C19-F23 HydrophobicContact CB-CD2 4.33Å; C19-F23 HydrophobicContact CB-CE2 4.19Å; C19-F23 WeakPolarHBondContact O-CD2 3.34Å; C19-F23 PolarHBondContact O-N 3.35Å; F23-A27 VanDerWaalsContact O-CB 3.29Å; F23-A27 WeakPolarHBondContact O-CB 3.17Å; F23-A27 PolarHBondContact O-N 3.49Å |
| 24 | S | 93.9 | Very high | 91.6 | Very high | 76 Ų | 76 | 89 Ų | 89 | 53% | 0.531 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.5 | -45 | 175.4 | -61.2 | 0 | 0 | 0 | 0 | 112.3 | A20 V21 A27 V28 | A20-S24 WeakPolarHBondContact O-CB 3.33Å; A20-S24 PolarHBondContact O-N 3.44Å; A20-S24 VanDerWaalsContact O-N 3.1Å; A20-S24 PolarHBondContact O-OG 3.45Å; V21-S24 PolarHBondContact O-N 3.18Å; S24-A27 PolarHBondContact O-N 3.24Å; S24-V28 WeakPolarHBondContact O-CG2 3.12Å; S24-V28 PolarHBondContact O-N 3.37Å |
| 25 | T | 93.9 | Very high | 92.3 | Very high | 72 Ų | 72 | 85.4 Ų | 85.4 | 44% | 0.442 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.1 | -40.9 | 179.3 | 53.1 | 0 | 0 | 0 | 0 | 112.2 | V21 A22 V28 L29 | V21-T25 HydrophobicContact CG1-CG2 4.42Å; V21-T25 WeakPolarHBondContact O-CG2 3.37Å; V21-T25 PolarHBondContact O-N 3.14Å; V21-T25 PolarHBondContact O-OG1 2.96Å; A22-T25 PolarHBondContact O-N 2.86Å; A22-T25 PolarHBondContact O-OG1 3.4Å; A22-T25 VanDerWaalsContact O-OG1 3.04Å; T25-V28 PolarHBondContact O-N 2.86Å; T25-L29 WeakPolarHBondContact O-CB 3.44Å; T25-L29 VanDerWaalsContact O-CG 3.26Å; T25-L29 WeakPolarHBondContact O-CG 3.32Å; T25-L29 PolarHBondContact O-N 3.38Å |
| 26 | V | 95.4 | Very high | 93 | Very high | 94 Ų | 94 | 85.4 Ų | 85.4 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63 | -41.3 | 174.7 | 172 | 0 | 0 | 0 | 0 | 111.5 | A22 L29 S30 | A22-V26 WeakPolarHBondContact O-CB 3.27Å; A22-V26 VanDerWaalsContact O-CG2 3.29Å; A22-V26 WeakPolarHBondContact O-CG2 3.17Å; A22-V26 PolarHBondContact O-N 3.31Å; V26-L29 PolarHBondContact O-N 2.6Å; V26-S30 WeakPolarHBondContact O-CB 3.37Å; V26-S30 PolarHBondContact O-N 3.46Å |
| 27 | A | 94.9 | Very high | 93.5 | Very high | 55 Ų | 55 | 86 Ų | 86 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.8 | -46.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | F23 S24 S30 C31 | F23-A27 VanDerWaalsContact O-CB 3.29Å; F23-A27 WeakPolarHBondContact O-CB 3.17Å; F23-A27 PolarHBondContact O-N 3.49Å; S24-A27 PolarHBondContact O-N 3.24Å; A27-S30 PolarHBondContact O-N 2.91Å; A27-C31 PolarHBondContact O-N 3.32Å; A27-C31 PolarHBondContact O-SG 3.24Å; A27-C31 VanDerWaalsContact O-SG 3.37Å |
| 28 | V | 96 | Very high | 93.8 | Very high | 92 Ų | 92 | 88.9 Ų | 88.9 | 56% | 0.558 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.2 | -45.7 | 176.6 | 171 | 0 | 0 | 0 | 0 | 111.4 | S24 T25 S30 C31 V32 | S24-V28 WeakPolarHBondContact O-CG2 3.12Å; S24-V28 PolarHBondContact O-N 3.37Å; T25-V28 PolarHBondContact O-N 2.86Å; V28-S30 VanDerWaalsContact C-N 3.34Å; V28-S30 PolarHBondContact O-N 3.48Å; V28-C31 PolarHBondContact O-N 3.08Å; V28-V32 HydrophobicContact CG1-CG2 4.25Å; V28-V32 WeakPolarHBondContact O-CB 3.22Å; V28-V32 VanDerWaalsContact O-CG2 3.28Å; V28-V32 WeakPolarHBondContact O-CG2 3.17Å; V28-V32 PolarHBondContact O-N 3.46Å |
| 29 | L | 94.4 | Very high | 94.2 | Very high | 104 Ų | 104 | 88.1 Ų | 88.1 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 177.2 | -71.9 | 170.6 | 0 | 0 | 0 | 112 | T25 V26 V32 I33 | T25-L29 WeakPolarHBondContact O-CB 3.44Å; T25-L29 VanDerWaalsContact O-CG 3.26Å; T25-L29 WeakPolarHBondContact O-CG 3.32Å; T25-L29 PolarHBondContact O-N 3.38Å; V26-L29 PolarHBondContact O-N 2.6Å; L29-V32 PolarHBondContact O-N 2.91Å; L29-I33 VanDerWaalsContact O-CG1 3.29Å; L29-I33 WeakPolarHBondContact O-CG1 3.42Å; L29-I33 PolarHBondContact O-N 2.88Å |
| 30 | S | 95.1 | Very high | 94.6 | Very high | 63 Ų | 63 | 89.5 Ų | 89.5 | 44% | 0.441 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.4 | -47.4 | 174.6 | -173.1 | 0 | 0 | 0 | 0 | 111.4 | V26 A27 V28 V32 I33 T34 | V26-S30 WeakPolarHBondContact O-CB 3.37Å; V26-S30 PolarHBondContact O-N 3.46Å; A27-S30 PolarHBondContact O-N 2.91Å; V28-S30 VanDerWaalsContact C-N 3.34Å; V28-S30 PolarHBondContact O-N 3.48Å; S30-V32 PolarHBondContact O-N 3.32Å; S30-I33 PolarHBondContact O-N 3.46Å; S30-T34 WeakPolarHBondContact O-CB 3.22Å; S30-T34 WeakPolarHBondContact O-CG2 3.4Å; S30-T34 PolarHBondContact O-N 3.3Å; S30-T34 PolarHBondContact O-OG1 3.4Å |
| 31 | C | 94.9 | Very high | 94.9 | Very high | 68 Ų | 68 | 94.2 Ų | 94.2 | 46% | 0.459 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.7 | -43.2 | 175.6 | -68.9 | 0 | 0 | 0 | 0 | 112.6 | A27 V28 I33 T34 L35 | A27-C31 PolarHBondContact O-N 3.32Å; A27-C31 PolarHBondContact O-SG 3.24Å; A27-C31 VanDerWaalsContact O-SG 3.37Å; V28-C31 PolarHBondContact O-N 3.08Å; C31-I33 VanDerWaalsContact C-N 3.28Å; C31-I33 PolarHBondContact O-N 3.44Å; C31-T34 WeakPolarHBondContact CA-OG1 3.43Å; C31-T34 PolarHBondContact O-N 2.84Å; C31-T34 PolarHBondContact O-OG1 3.39Å; C31-L35 HydrophobicContact CB-CD1 4.5Å; C31-L35 WeakPolarHBondContact O-CB 2.9Å; C31-L35 VanDerWaalsContact O-CG 3.25Å; C31-L35 WeakPolarHBondContact O-CG 3.48Å; C31-L35 PolarHBondContact O-N 3.41Å |
| 32 | V | 96 | Very high | 95 | Very high | 94 Ų | 94 | 93 Ų | 93 | 57% | 0.57 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.7 | -27.9 | 179.4 | 170.7 | 0 | 0 | 0 | 0 | 112.6 | V28 L29 S30 P36 | V28-V32 HydrophobicContact CG1-CG2 4.25Å; V28-V32 WeakPolarHBondContact O-CB 3.22Å; V28-V32 VanDerWaalsContact O-CG2 3.28Å; V28-V32 WeakPolarHBondContact O-CG2 3.17Å; V28-V32 PolarHBondContact O-N 3.46Å; L29-V32 PolarHBondContact O-N 2.91Å; S30-V32 PolarHBondContact O-N 3.32Å; V32-P36 WeakPolarHBondContact O-CD 3.5Å; V32-P36 WeakPolarHBondContact O-CG 2.81Å |
| 33 | I | 94.6 | Very high | 95.1 | Very high | 106 Ų | 106 | 94.8 Ų | 94.8 | 54% | 0.544 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -86.6 | -43.4 | 175.9 | -63.6 | 165.2 | 0 | 0 | 0 | 111.2 | L29 S30 C31 P36 L37 | L29-I33 VanDerWaalsContact O-CG1 3.29Å; L29-I33 WeakPolarHBondContact O-CG1 3.42Å; L29-I33 PolarHBondContact O-N 2.88Å; S30-I33 PolarHBondContact O-N 3.46Å; C31-I33 VanDerWaalsContact C-N 3.28Å; C31-I33 PolarHBondContact O-N 3.44Å; I33-P36 WeakPolarHBondContact O-CD 3.2Å; I33-L37 HydrophobicContact CG2-CD1 3.99Å; I33-L37 VanDerWaalsContact O-CG 3.31Å; I33-L37 WeakPolarHBondContact O-CG 3.1Å; I33-L37 PolarHBondContact O-N 3.2Å |
| 34 | T | 94.9 | Very high | 95.1 | Very high | 64 Ų | 64 | 91 Ų | 91 | 39% | 0.393 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -72.3 | -36.8 | -175.6 | 50.4 | 0 | 0 | 0 | 0 | 113.6 | S30 C31 L37 M38 | S30-T34 WeakPolarHBondContact O-CB 3.22Å; S30-T34 WeakPolarHBondContact O-CG2 3.4Å; S30-T34 PolarHBondContact O-N 3.3Å; S30-T34 PolarHBondContact O-OG1 3.4Å; C31-T34 WeakPolarHBondContact CA-OG1 3.43Å; C31-T34 PolarHBondContact O-N 2.84Å; C31-T34 PolarHBondContact O-OG1 3.39Å; T34-L37 PolarHBondContact O-N 2.91Å; T34-M38 WeakPolarHBondContact O-CB 3.49Å; T34-M38 WeakPolarHBondContact O-CG 3.26Å; T34-M38 PolarHBondContact O-N 2.87Å |
| 35 | L | 95.7 | Very high | 95 | Very high | 119 Ų | 119 | 90 Ų | 90 | 62% | 0.623 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.6 | -45.9 | -178.5 | -69.3 | 171 | 0 | 0 | 0 | 113.2 | C31 M38 Y39 | C31-L35 HydrophobicContact CB-CD1 4.5Å; C31-L35 WeakPolarHBondContact O-CB 2.9Å; C31-L35 VanDerWaalsContact O-CG 3.25Å; C31-L35 WeakPolarHBondContact O-CG 3.48Å; C31-L35 PolarHBondContact O-N 3.41Å; L35-M38 PolarHBondContact O-N 3.36Å; L35-Y39 WeakPolarHBondContact O-CB 3.4Å; L35-Y39 PolarHBondContact O-N 3.11Å |
| 36 | P | 96.2 | Very high | 94.9 | Very high | 66 Ų | 66 | 92.1 Ų | 92.1 | 43% | 0.429 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.3 | -37.2 | 173.5 | -24.2 | 35.6 | 0 | 0 | 0 | 113.4 | V32 I33 Y39 N40 | V32-P36 WeakPolarHBondContact O-CD 3.5Å; V32-P36 WeakPolarHBondContact O-CG 2.81Å; I33-P36 WeakPolarHBondContact O-CD 3.2Å; P36-Y39 PolarHBondContact O-N 2.76Å; P36-N40 WeakPolarHBondContact O-CB 3.22Å; P36-N40 PolarHBondContact O-N 3.42Å; P36-N40 PolarHBondContact O-ND2 3.06Å |
| 37 | L | 95.4 | Very high | 94.7 | Very high | 109 Ų | 109 | 92 Ų | 92 | 57% | 0.571 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.7 | -44.5 | 175.6 | -70.6 | 173.9 | 0 | 0 | 0 | 111.3 | I33 T34 N40 Y41 | I33-L37 HydrophobicContact CG2-CD1 3.99Å; I33-L37 VanDerWaalsContact O-CG 3.31Å; I33-L37 WeakPolarHBondContact O-CG 3.1Å; I33-L37 PolarHBondContact O-N 3.2Å; T34-L37 PolarHBondContact O-N 2.91Å; L37-N40 PolarHBondContact O-N 2.68Å; L37-Y41 VanDerWaalsContact O-CB 3.3Å; L37-Y41 WeakPolarHBondContact O-CB 3.38Å; L37-Y41 PolarHBondContact O-N 3.15Å |
| 38 | M | 94.9 | Very high | 94.3 | Very high | 110 Ų | 110 | 94.7 Ų | 94.7 | 54% | 0.542 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 174.5 | -73.8 | -60.2 | -60.9 | 0 | 0 | 112.2 | T34 L35 Y41 V42 | T34-M38 WeakPolarHBondContact O-CB 3.49Å; T34-M38 WeakPolarHBondContact O-CG 3.26Å; T34-M38 PolarHBondContact O-N 2.87Å; L35-M38 PolarHBondContact O-N 3.36Å; M38-Y41 PolarHBondContact O-N 3.39Å; M38-V42 WeakPolarHBondContact O-CB 3.16Å; M38-V42 VanDerWaalsContact O-CG2 3.27Å; M38-V42 WeakPolarHBondContact O-CG2 3.36Å; M38-V42 PolarHBondContact O-N 3.05Å |
| 39 | Y | 96.5 | Very high | 93.9 | Very high | 144 Ų | 144 | 95.8 Ų | 95.8 | 57% | 0.565 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.5 | -49 | 176.1 | -176.4 | -98.4 | 0 | 0 | 0 | 111.8 | L35 P36 Y41 V42 Q43 | L35-Y39 WeakPolarHBondContact O-CB 3.4Å; L35-Y39 PolarHBondContact O-N 3.11Å; P36-Y39 PolarHBondContact O-N 2.76Å; Y39-Y41 VanDerWaalsContact C-N 3.33Å; Y39-Y41 PolarHBondContact O-N 2.81Å; Y39-V42 PolarHBondContact O-N 3.49Å; Y39-Q43 HydrophobicContact CD1-CG 4.36Å; Y39-Q43 HydrophobicContact CE1-CG 4.05Å; Y39-Q43 VanDerWaalsContact CE1-NE2 3.31Å; Y39-Q43 VanDerWaalsContact CZ-NE2 3.34Å; Y39-Q43 WeakPolarHBondContact O-CG 3.2Å; Y39-Q43 PolarHBondContact O-N 2.65Å; Y39-Q43 PolarHBondContact OH-NE2 2.82Å |
| 40 | N | 94.6 | Very high | 93.7 | Very high | 95 Ų | 95 | 96.7 Ų | 96.7 | 51% | 0.508 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.6 | -39.6 | 177.1 | -68.7 | -14.9 | 0 | 0 | 0 | 111.8 | P36 L37 S44 | P36-N40 WeakPolarHBondContact O-CB 3.22Å; P36-N40 PolarHBondContact O-N 3.42Å; P36-N40 PolarHBondContact O-ND2 3.06Å; L37-N40 PolarHBondContact O-N 2.68Å; N40-S44 WeakPolarHBondContact O-CB 3.31Å; N40-S44 PolarHBondContact O-N 2.66Å |
| 41 | Y | 95.7 | Very high | 93.4 | Very high | 152 Ų | 152 | 98.6 Ų | 98.6 | 60% | 0.596 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64 | -47.9 | 175 | 179.2 | -103.4 | 0 | 0 | 0 | 111.8 | L37 M38 Y39 Q43 S44 V45 | L37-Y41 VanDerWaalsContact O-CB 3.3Å; L37-Y41 WeakPolarHBondContact O-CB 3.38Å; L37-Y41 PolarHBondContact O-N 3.15Å; M38-Y41 PolarHBondContact O-N 3.39Å; Y39-Y41 VanDerWaalsContact C-N 3.33Å; Y39-Y41 PolarHBondContact O-N 2.81Å; Y41-Q43 PolarHBondContact O-N 2.89Å; Y41-S44 PolarHBondContact O-N 3.07Å; Y41-V45 HydrophobicContact CD1-CG2 4.36Å; Y41-V45 HydrophobicContact CD2-CG2 4.4Å; Y41-V45 HydrophobicContact CE1-CG2 3.94Å; Y41-V45 HydrophobicContact CE2-CG2 3.99Å; Y41-V45 WeakPolarHBondContact O-CG2 3.32Å; Y41-V45 PolarHBondContact O-N 2.78Å |
| 42 | V | 96.3 | Very high | 93 | Very high | 68 Ų | 68 | 101.2 Ų | 101.2 | 41% | 0.412 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 177 | 169.7 | 0 | 0 | 0 | 0 | 111 | M38 Y39 V45 Q46 | M38-V42 WeakPolarHBondContact O-CB 3.16Å; M38-V42 VanDerWaalsContact O-CG2 3.27Å; M38-V42 WeakPolarHBondContact O-CG2 3.36Å; M38-V42 PolarHBondContact O-N 3.05Å; Y39-V42 PolarHBondContact O-N 3.49Å; V42-V45 PolarHBondContact O-N 2.87Å; V42-Q46 HydrophobicContact CG1-CG 4.34Å; V42-Q46 WeakPolarHBondContact O-CB 3.44Å; V42-Q46 VanDerWaalsContact O-CG 3.29Å; V42-Q46 WeakPolarHBondContact O-CG 3.29Å; V42-Q46 PolarHBondContact O-N 3.27Å |
| 43 | Q | 94.9 | Very high | 92.6 | Very high | 85 Ų | 85 | 101 Ų | 101 | 40% | 0.397 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.3 | -45.9 | 173.6 | -77.2 | -165.3 | -30.3 | 0 | 0 | 112 | Y39 Y41 V45 Q46 T47 | Y39-Q43 HydrophobicContact CD1-CG 4.36Å; Y39-Q43 HydrophobicContact CE1-CG 4.05Å; Y39-Q43 VanDerWaalsContact CE1-NE2 3.31Å; Y39-Q43 VanDerWaalsContact CZ-NE2 3.34Å; Y39-Q43 WeakPolarHBondContact O-CG 3.2Å; Y39-Q43 PolarHBondContact O-N 2.65Å; Y39-Q43 PolarHBondContact OH-NE2 2.82Å; Y41-Q43 PolarHBondContact O-N 2.89Å; Q43-V45 VanDerWaalsContact C-N 3.33Å; Q43-V45 PolarHBondContact O-N 3.19Å; Q43-Q46 PolarHBondContact O-N 3.1Å; Q43-T47 PolarHBondContact O-N 2.87Å; Q43-T47 PolarHBondContact O-OG1 3.08Å |
| 44 | S | 92.7 | Very high | 92.2 | Very high | 74 Ų | 74 | 99.5 Ų | 99.5 | 52% | 0.517 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.4 | -37.3 | 179 | -172.6 | 0 | 0 | 0 | 0 | 112.8 | N40 Y41 T47 L48 | N40-S44 WeakPolarHBondContact O-CB 3.31Å; N40-S44 PolarHBondContact O-N 2.66Å; Y41-S44 PolarHBondContact O-N 3.07Å; S44-T47 WeakPolarHBondContact CA-OG1 3.35Å; S44-T47 PolarHBondContact O-OG1 3.24Å; S44-L48 PolarHBondContact O-N 3.18Å |
| 45 | V | 92.8 | Very high | 91.8 | Very high | 57 Ų | 57 | 99.7 Ų | 99.7 | 35% | 0.345 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.4 | -40.9 | 174.8 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | Y41 V42 Q43 L48 M49 | Y41-V45 HydrophobicContact CD1-CG2 4.36Å; Y41-V45 HydrophobicContact CD2-CG2 4.4Å; Y41-V45 HydrophobicContact CE1-CG2 3.94Å; Y41-V45 HydrophobicContact CE2-CG2 3.99Å; Y41-V45 WeakPolarHBondContact O-CG2 3.32Å; Y41-V45 PolarHBondContact O-N 2.78Å; V42-V45 PolarHBondContact O-N 2.87Å; Q43-V45 VanDerWaalsContact C-N 3.33Å; Q43-V45 PolarHBondContact O-N 3.19Å; V45-L48 PolarHBondContact O-N 2.97Å; V45-M49 HydrophobicContact CG1-CG 4.32Å; V45-M49 VanDerWaalsContact O-CG 3.26Å; V45-M49 WeakPolarHBondContact O-CG 3.38Å; V45-M49 PolarHBondContact O-N 2.95Å |
| 46 | Q | 91.4 | Very high | 91 | Very high | 115 Ų | 115 | 98 Ų | 98 | 54% | 0.537 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.1 | -45.9 | 175 | -79.2 | 179.8 | -30.6 | 0 | 0 | 111.6 | V42 Q43 L48 M49 Q50 | V42-Q46 HydrophobicContact CG1-CG 4.34Å; V42-Q46 WeakPolarHBondContact O-CB 3.44Å; V42-Q46 VanDerWaalsContact O-CG 3.29Å; V42-Q46 WeakPolarHBondContact O-CG 3.29Å; V42-Q46 PolarHBondContact O-N 3.27Å; Q43-Q46 PolarHBondContact O-N 3.1Å; Q46-L48 VanDerWaalsContact C-N 3.33Å; Q46-L48 PolarHBondContact O-N 2.82Å; Q46-M49 PolarHBondContact O-N 3.17Å; Q46-Q50 WeakPolarHBondContact O-CB 3.36Å; Q46-Q50 PolarHBondContact O-N 2.97Å |
| 47 | T | 91 | Very high | 90.5 | Very high | 93 Ų | 93 | 100.4 Ų | 100.4 | 57% | 0.571 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62 | -38.7 | 177.8 | 47.5 | 0 | 0 | 0 | 0 | 112.9 | Q43 S44 Q50 D51 | Q43-T47 PolarHBondContact O-N 2.87Å; Q43-T47 PolarHBondContact O-OG1 3.08Å; S44-T47 WeakPolarHBondContact CA-OG1 3.35Å; S44-T47 PolarHBondContact O-OG1 3.24Å; T47-Q50 PolarHBondContact O-N 2.97Å; T47-D51 PolarHBondContact O-N 3.26Å; T47-D51 VanDerWaalsContact O-N 3.08Å |
| 48 | L | 87.4 | Confident | 90.1 | Very high | 111 Ų | 111 | 98.8 Ų | 98.8 | 58% | 0.581 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.1 | -46.2 | 177.2 | -178 | 65.2 | 0 | 0 | 0 | 111.5 | S44 V45 Q46 Q50 D51 E52 | S44-L48 PolarHBondContact O-N 3.18Å; V45-L48 PolarHBondContact O-N 2.97Å; Q46-L48 VanDerWaalsContact C-N 3.33Å; Q46-L48 PolarHBondContact O-N 2.82Å; L48-Q50 VanDerWaalsContact C-N 3.29Å; L48-Q50 PolarHBondContact O-N 3.33Å; L48-D51 PolarHBondContact O-N 2.98Å; L48-E52 PolarHBondContact O-N 3.28Å |
| 49 | M | 87.3 | Confident | 89.5 | Confident | 114 Ų | 114 | 97.3 Ų | 97.3 | 56% | 0.562 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.7 | -35.1 | 176.2 | -67.2 | -69.9 | -67.6 | 0 | 0 | 112 | V45 Q46 V53 | V45-M49 HydrophobicContact CG1-CG 4.32Å; V45-M49 VanDerWaalsContact O-CG 3.26Å; V45-M49 WeakPolarHBondContact O-CG 3.38Å; V45-M49 PolarHBondContact O-N 2.95Å; Q46-M49 PolarHBondContact O-N 3.17Å; M49-V53 VanDerWaalsContact O-CG2 3.27Å; M49-V53 WeakPolarHBondContact O-CG2 3.31Å; M49-V53 PolarHBondContact O-N 3.17Å |
| 50 | Q | 89.6 | Confident | 88.8 | Confident | 124 Ų | 124 | 93 Ų | 93 | 58% | 0.579 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.9 | -45.4 | 176.8 | -148.7 | 88.8 | 3.4 | 0 | 0 | 111.1 | Q46 T47 L48 V53 D54 | Q46-Q50 WeakPolarHBondContact O-CB 3.36Å; Q46-Q50 PolarHBondContact O-N 2.97Å; T47-Q50 PolarHBondContact O-N 2.97Å; L48-Q50 VanDerWaalsContact C-N 3.29Å; L48-Q50 PolarHBondContact O-N 3.33Å; Q50-V53 PolarHBondContact O-N 3.39Å; Q50-D54 WeakPolarHBondContact O-CB 3.4Å; Q50-D54 PolarHBondContact O-N 2.97Å |
| 51 | D | 88.8 | Confident | 88.2 | Confident | 103 Ų | 103 | 94.5 Ų | 94.5 | 55% | 0.551 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.6 | -42.5 | -179.6 | -167.7 | 50.3 | 0 | 0 | 0 | 111.9 | T47 L48 V53 D54 F55 | T47-D51 PolarHBondContact O-N 3.26Å; T47-D51 VanDerWaalsContact O-N 3.08Å; L48-D51 PolarHBondContact O-N 2.98Å; D51-V53 PolarHBondContact O-N 2.84Å; D51-D54 PolarHBondContact O-N 3.46Å; D51-F55 WeakPolarHBondContact O-CB 3.18Å; D51-F55 PolarHBondContact O-N 3.08Å |
| 52 | E | 86 | Confident | 87.6 | Confident | 122 Ų | 122 | 90.5 Ų | 90.5 | 57% | 0.57 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.4 | -39.9 | 174 | -70.7 | -162.3 | 167.9 | 0 | 0 | 112.8 | L48 C56 | L48-E52 PolarHBondContact O-N 3.28Å; E52-C56 WeakPolarHBondContact O-CB 3.5Å; E52-C56 PolarHBondContact O-N 3Å |
| 53 | V | 88.6 | Confident | 86.6 | Confident | 91 Ų | 91 | 92.9 Ų | 92.9 | 55% | 0.552 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67.7 | -45.4 | 177.8 | 169.1 | 0 | 0 | 0 | 0 | 111.2 | M49 Q50 D51 C56 K57 | M49-V53 VanDerWaalsContact O-CG2 3.27Å; M49-V53 WeakPolarHBondContact O-CG2 3.31Å; M49-V53 PolarHBondContact O-N 3.17Å; Q50-V53 PolarHBondContact O-N 3.39Å; D51-V53 PolarHBondContact O-N 2.84Å; V53-C56 PolarHBondContact O-N 2.94Å; V53-K57 VanDerWaalsContact O-CB 3.26Å; V53-K57 WeakPolarHBondContact O-CB 3.47Å; V53-K57 PolarHBondContact O-N 2.89Å |
| 54 | D | 86.6 | Confident | 86 | Confident | 74 Ų | 74 | 98 Ų | 98 | 40% | 0.396 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.5 | -32.3 | 178.4 | -80.5 | -36.3 | 0 | 0 | 0 | 112 | Q50 D51 K57 T58 | Q50-D54 WeakPolarHBondContact O-CB 3.4Å; Q50-D54 PolarHBondContact O-N 2.97Å; D51-D54 PolarHBondContact O-N 3.46Å; D54-K57 PolarHBondContact O-N 2.71Å; D54-T58 WeakPolarHBondContact O-CB 3.44Å; D54-T58 PolarHBondContact O-N 3.47Å; D54-T58 PolarHBondContact O-OG1 3.29Å |
| 55 | F | 84.7 | Confident | 85.5 | Confident | 68 Ų | 68 | 100.1 Ų | 100.1 | 30% | 0.298 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.4 | -51.1 | 169.1 | -178.9 | -101.9 | 0 | 0 | 0 | 111.5 | D51 K57 T58 R59 V105 | D51-F55 WeakPolarHBondContact O-CB 3.18Å; D51-F55 PolarHBondContact O-N 3.08Å; F55-K57 VanDerWaalsContact C-N 3.27Å; F55-K57 PolarHBondContact O-N 3.25Å; F55-T58 PolarHBondContact O-N 2.99Å; F55-R59 HydrophobicContact CE1-CB 4.37Å; F55-R59 HydrophobicContact CZ-CB 4.23Å; F55-R59 HydrophobicContact CZ-CG 4.44Å; F55-R59 VanDerWaalsContact O-CB 3.31Å; F55-R59 WeakPolarHBondContact O-CB 3.37Å; F55-R59 PolarHBondContact O-N 3.43Å; F55-V105 HydrophobicContact CD1-CG1 4.28Å; F55-V105 HydrophobicContact CD2-CB 4.16Å; F55-V105 HydrophobicContact CD2-CG1 4.29Å; F55-V105 HydrophobicContact CD2-CG2 3.86Å; F55-V105 HydrophobicContact CE1-CB 4.37Å; F55-V105 HydrophobicContact CE1-CG1 3.56Å; F55-V105 HydrophobicContact CE2-CB 3.44Å; F55-V105 VanDerWaalsContact CE2-CB 3.44Å; F55-V105 HydrophobicContact CE2-CG1 3.59Å; F55-V105 HydrophobicContact CE2-CG2 3.67Å; F55-V105 HydrophobicContact CZ-CB 3.59Å; F55-V105 HydrophobicContact CZ-CG1 3.18Å; F55-V105 HydrophobicContact CZ-CG2 4.19Å |
| 56 | C | 80.3 | Confident | 84.9 | Confident | 83 Ų | 83 | 103 Ų | 103 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -57.4 | -39.6 | 174.8 | -83.6 | 0 | 0 | 0 | 0 | 112.4 | E52 V53 S60 | E52-C56 WeakPolarHBondContact O-CB 3.5Å; E52-C56 PolarHBondContact O-N 3Å; V53-C56 PolarHBondContact O-N 2.94Å; C56-S60 VanDerWaalsContact O-CB 3.32Å; C56-S60 WeakPolarHBondContact O-CB 3.39Å; C56-S60 PolarHBondContact O-N 3.15Å; C56-S60 PolarHBondContact O-OG 3.3Å |
| 57 | K | 84.8 | Confident | 84.2 | Confident | 117 Ų | 117 | 102.7 Ų | 102.7 | 51% | 0.509 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71.6 | -32.2 | 179.2 | -166.2 | 175.1 | -170.8 | 174.4 | 0 | 113.2 | V53 D54 F55 S60 K61 | V53-K57 VanDerWaalsContact O-CB 3.26Å; V53-K57 WeakPolarHBondContact O-CB 3.47Å; V53-K57 PolarHBondContact O-N 2.89Å; D54-K57 PolarHBondContact O-N 2.71Å; F55-K57 VanDerWaalsContact C-N 3.27Å; F55-K57 PolarHBondContact O-N 3.25Å; K57-S60 WeakPolarHBondContact CA-OG 3.34Å; K57-S60 PolarHBondContact O-OG 3.48Å; K57-K61 VanDerWaalsContact O-CG 3.3Å; K57-K61 WeakPolarHBondContact O-CG 3.47Å; K57-K61 PolarHBondContact O-N 3.2Å |
| 58 | T | 86.3 | Confident | 83.7 | Confident | 75 Ų | 75 | 102.6 Ų | 102.6 | 46% | 0.46 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -75.1 | -50.3 | 175.4 | -58.1 | 0 | 0 | 0 | 0 | 110.1 | D54 F55 S60 K61 D62 | D54-T58 WeakPolarHBondContact O-CB 3.44Å; D54-T58 PolarHBondContact O-N 3.47Å; D54-T58 PolarHBondContact O-OG1 3.29Å; F55-T58 PolarHBondContact O-N 2.99Å; T58-S60 VanDerWaalsContact C-N 3.34Å; T58-S60 PolarHBondContact O-N 3.28Å; T58-K61 WeakPolarHBondContact O-CB 3.4Å; T58-K61 PolarHBondContact O-N 3.46Å; T58-K61 VanDerWaalsContact O-N 3.16Å; T58-D62 PolarHBondContact O-N 2.95Å |
| 59 | R | 83.4 | Confident | 83.3 | Confident | 78 Ų | 78 | 103 Ų | 103 | 29% | 0.294 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.7 | -42 | 178.5 | -172 | -176.8 | -177.5 | 108.3 | 7.3 | 112.8 | F55 D62 M63 P107 | F55-R59 HydrophobicContact CE1-CB 4.37Å; F55-R59 HydrophobicContact CZ-CB 4.23Å; F55-R59 HydrophobicContact CZ-CG 4.44Å; F55-R59 VanDerWaalsContact O-CB 3.31Å; F55-R59 WeakPolarHBondContact O-CB 3.37Å; F55-R59 PolarHBondContact O-N 3.43Å; R59-D62 PolarHBondContact O-N 3.15Å; R59-M63 HydrophobicContact CG-SD 4.37Å; R59-M63 WeakPolarHBondContact O-CB 3.26Å; R59-M63 WeakPolarHBondContact O-CG 3.3Å; R59-M63 PolarHBondContact O-N 3.46Å; R59-P107 VanDerWaalsContact NH2-CA 3.32Å |
| 60 | S | 80.9 | Confident | 82.6 | Confident | 53 Ų | 53 | 103.1 Ų | 103.1 | 37% | 0.371 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 176.1 | 49.4 | 0 | 0 | 0 | 0 | 112.6 | C56 K57 T58 D62 M63 W64 | C56-S60 VanDerWaalsContact O-CB 3.32Å; C56-S60 WeakPolarHBondContact O-CB 3.39Å; C56-S60 PolarHBondContact O-N 3.15Å; C56-S60 PolarHBondContact O-OG 3.3Å; K57-S60 WeakPolarHBondContact CA-OG 3.34Å; K57-S60 PolarHBondContact O-OG 3.48Å; T58-S60 VanDerWaalsContact C-N 3.34Å; T58-S60 PolarHBondContact O-N 3.28Å; S60-D62 VanDerWaalsContact C-N 3.35Å; S60-D62 PolarHBondContact O-N 2.9Å; S60-M63 PolarHBondContact O-N 3.46Å; S60-W64 WeakPolarHBondContact O-CB 3.37Å; S60-W64 PolarHBondContact O-N 3.34Å |
| 61 | K | 83.7 | Confident | 81.8 | Confident | 127 Ų | 127 | 102.3 Ų | 102.3 | 55% | 0.552 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.8 | -43.7 | 173.7 | -79.6 | 174 | 177 | 179 | 0 | 112.6 | K57 T58 W64 K65 | K57-K61 VanDerWaalsContact O-CG 3.3Å; K57-K61 WeakPolarHBondContact O-CG 3.47Å; K57-K61 PolarHBondContact O-N 3.2Å; T58-K61 WeakPolarHBondContact O-CB 3.4Å; T58-K61 PolarHBondContact O-N 3.46Å; T58-K61 VanDerWaalsContact O-N 3.16Å; K61-W64 PolarHBondContact O-N 2.89Å; K61-K65 WeakPolarHBondContact O-CG 3.29Å; K61-K65 PolarHBondContact O-N 2.87Å |
| 62 | D | 82.7 | Confident | 80.9 | Confident | 69 Ų | 69 | 100.6 Ų | 100.6 | 37% | 0.369 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -71 | -43.2 | -178.7 | -66.7 | -28.6 | 0 | 0 | 0 | 111.3 | T58 R59 S60 W64 K65 E66 | T58-D62 PolarHBondContact O-N 2.95Å; R59-D62 PolarHBondContact O-N 3.15Å; S60-D62 VanDerWaalsContact C-N 3.35Å; S60-D62 PolarHBondContact O-N 2.9Å; D62-W64 VanDerWaalsContact C-N 3.25Å; D62-W64 PolarHBondContact O-N 3.37Å; D62-K65 PolarHBondContact O-N 2.81Å; D62-K65 VanDerWaalsContact O-N 3.15Å; D62-K65 IonicContact OD1-NZ 2.6Å; D62-K65 PolarHBondContact OD1-NZ 3.03Å; D62-E66 WeakPolarHBondContact O-CG 3.34Å; D62-E66 PolarHBondContact O-N 3.16Å; D62-E66 VanDerWaalsContact O-N 3.15Å |
| 63 | M | 75.3 | Confident | 79.7 | Confident | 118 Ų | 118 | 101.4 Ų | 101.4 | 58% | 0.581 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -57.5 | -37.3 | 171 | -72.6 | -179.1 | 67.1 | 0 | 0 | 112.8 | R59 S60 M67 | R59-M63 HydrophobicContact CG-SD 4.37Å; R59-M63 WeakPolarHBondContact O-CB 3.26Å; R59-M63 WeakPolarHBondContact O-CG 3.3Å; R59-M63 PolarHBondContact O-N 3.46Å; S60-M63 PolarHBondContact O-N 3.46Å; M63-M67 WeakPolarHBondContact O-CB 3.36Å; M63-M67 PolarHBondContact O-N 3.4Å |
| 64 | W | 80.8 | Confident | 78.4 | Confident | 191 Ų | 191 | 101.1 Ų | 101.1 | 72% | 0.723 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -70.5 | -36.5 | 177 | -79.6 | 30.8 | 0 | 0 | 0 | 112.7 | S60 K61 D62 M67 V68 | S60-W64 WeakPolarHBondContact O-CB 3.37Å; S60-W64 PolarHBondContact O-N 3.34Å; K61-W64 PolarHBondContact O-N 2.89Å; D62-W64 VanDerWaalsContact C-N 3.25Å; D62-W64 PolarHBondContact O-N 3.37Å; W64-M67 PolarHBondContact O-N 2.99Å; W64-V68 WeakPolarHBondContact O-CB 3.27Å; W64-V68 VanDerWaalsContact O-CG2 3.24Å; W64-V68 WeakPolarHBondContact O-CG2 3.41Å; W64-V68 PolarHBondContact O-N 3.22Å |
| 65 | K | 82.5 | Confident | 77 | Confident | 119 Ų | 119 | 103.8 Ų | 103.8 | 52% | 0.517 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.1 | -48.6 | 173.9 | -71.1 | 169.2 | -167.4 | 158.5 | 0 | 111.2 | K61 D62 M67 V68 Q69 | K61-K65 WeakPolarHBondContact O-CG 3.29Å; K61-K65 PolarHBondContact O-N 2.87Å; D62-K65 PolarHBondContact O-N 2.81Å; D62-K65 VanDerWaalsContact O-N 3.15Å; D62-K65 IonicContact OD1-NZ 2.6Å; D62-K65 PolarHBondContact OD1-NZ 3.03Å; K65-M67 VanDerWaalsContact C-N 3.35Å; K65-M67 PolarHBondContact O-N 3.33Å; K65-V68 PolarHBondContact O-N 3.4Å; K65-Q69 WeakPolarHBondContact O-CG 3.49Å; K65-Q69 PolarHBondContact O-N 2.78Å |
| 66 | E | 81.6 | Confident | 75.3 | Confident | 117 Ų | 117 | 102.3 Ų | 102.3 | 55% | 0.547 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.9 | -45.8 | 177.3 | -61.8 | -63.1 | 122 | 0 | 0 | 110.8 | D62 V68 Q69 L70 | D62-E66 WeakPolarHBondContact O-CG 3.34Å; D62-E66 PolarHBondContact O-N 3.16Å; D62-E66 VanDerWaalsContact O-N 3.15Å; E66-V68 PolarHBondContact O-N 2.75Å; E66-Q69 PolarHBondContact O-N 3.32Å; E66-L70 VanDerWaalsContact O-CG 3.32Å; E66-L70 WeakPolarHBondContact O-CG 3.39Å; E66-L70 PolarHBondContact O-N 3.27Å |
| 67 | M | 75.7 | Confident | 73.6 | Confident | 109 Ų | 109 | 107.6 Ų | 107.6 | 54% | 0.537 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.5 | -39.9 | 178.7 | -168.8 | 176 | -173.9 | 0 | 0 | 112.8 | M63 W64 K65 L70 Q71 | M63-M67 WeakPolarHBondContact O-CB 3.36Å; M63-M67 PolarHBondContact O-N 3.4Å; W64-M67 PolarHBondContact O-N 2.99Å; K65-M67 VanDerWaalsContact C-N 3.35Å; K65-M67 PolarHBondContact O-N 3.33Å; M67-L70 PolarHBondContact O-N 3.38Å; M67-Q71 WeakPolarHBondContact O-CB 3.38Å; M67-Q71 WeakPolarHBondContact O-CG 3.34Å; M67-Q71 PolarHBondContact O-N 2.91Å |
| 68 | V | 81.6 | Confident | 71.5 | Confident | 91 Ų | 91 | 112.4 Ų | 112.4 | 55% | 0.552 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.9 | -38.8 | 175.7 | 168.3 | 0 | 0 | 0 | 0 | 111.3 | W64 K65 E66 Q71 A72 | W64-V68 WeakPolarHBondContact O-CB 3.27Å; W64-V68 VanDerWaalsContact O-CG2 3.24Å; W64-V68 WeakPolarHBondContact O-CG2 3.41Å; W64-V68 PolarHBondContact O-N 3.22Å; K65-V68 PolarHBondContact O-N 3.4Å; E66-V68 PolarHBondContact O-N 2.75Å; V68-Q71 PolarHBondContact O-N 2.9Å; V68-A72 VanDerWaalsContact O-CB 3.31Å; V68-A72 WeakPolarHBondContact O-CB 3.48Å; V68-A72 PolarHBondContact O-N 3.42Å |
| 69 | Q | 79.3 | Confident | 69.2 | Low | 119 Ų | 119 | 112.2 Ų | 112.2 | 56% | 0.556 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.6 | -45.9 | 173.4 | -76.2 | -177.8 | -7.5 | 0 | 0 | 111.5 | K65 E66 Q71 A72 L73 | K65-Q69 WeakPolarHBondContact O-CG 3.49Å; K65-Q69 PolarHBondContact O-N 2.78Å; E66-Q69 PolarHBondContact O-N 3.32Å; Q69-Q71 PolarHBondContact O-N 3.34Å; Q69-A72 PolarHBondContact O-N 3.43Å; Q69-L73 WeakPolarHBondContact O-CG 3.31Å; Q69-L73 PolarHBondContact O-N 2.88Å |
| 70 | L | 71.6 | Confident | 66.8 | Low | 117 Ų | 117 | 116.6 Ų | 116.6 | 61% | 0.613 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.2 | -39.9 | 176.3 | -68.9 | 170.6 | 0 | 0 | 0 | 112.3 | E66 M67 L73 A74 | E66-L70 VanDerWaalsContact O-CG 3.32Å; E66-L70 WeakPolarHBondContact O-CG 3.39Å; E66-L70 PolarHBondContact O-N 3.27Å; M67-L70 PolarHBondContact O-N 3.38Å; L70-L73 PolarHBondContact O-N 3.34Å; L70-A74 WeakPolarHBondContact O-CB 3.29Å; L70-A74 PolarHBondContact O-N 3.43Å |
| 71 | Q | 71.9 | Confident | 64.8 | Low | 108 Ų | 108 | 119.8 Ų | 119.8 | 51% | 0.505 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -67.2 | -38.7 | 174.5 | -76.7 | -176.1 | -13.9 | 0 | 0 | 112.8 | M67 V68 Q69 L73 A74 V75 | M67-Q71 WeakPolarHBondContact O-CB 3.38Å; M67-Q71 WeakPolarHBondContact O-CG 3.34Å; M67-Q71 PolarHBondContact O-N 2.91Å; V68-Q71 PolarHBondContact O-N 2.9Å; Q69-Q71 PolarHBondContact O-N 3.34Å; Q71-L73 VanDerWaalsContact C-N 3.33Å; Q71-L73 PolarHBondContact O-N 2.85Å; Q71-A74 PolarHBondContact O-N 3.5Å; Q71-A74 VanDerWaalsContact O-N 3.16Å; Q71-V75 WeakPolarHBondContact O-CG2 3.47Å; Q71-V75 PolarHBondContact O-N 3.08Å |
| 72 | A | 70.9 | Confident | 62.7 | Low | 67 Ų | 67 | 120.5 Ų | 120.5 | 55% | 0.554 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -64.1 | -38.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | V68 Q69 G76 | V68-A72 VanDerWaalsContact O-CB 3.31Å; V68-A72 WeakPolarHBondContact O-CB 3.48Å; V68-A72 PolarHBondContact O-N 3.42Å; Q69-A72 PolarHBondContact O-N 3.43Å; A72-G76 PolarHBondContact O-N 3.41Å |
| 73 | L | 61.6 | Low | 60.5 | Low | 138 Ų | 138 | 123.6 Ų | 123.6 | 72% | 0.723 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -65.9 | -38.5 | 171.6 | -67.1 | 170.6 | 0 | 0 | 0 | 111.8 | Q69 L70 Q71 G76 | Q69-L73 WeakPolarHBondContact O-CG 3.31Å; Q69-L73 PolarHBondContact O-N 2.88Å; L70-L73 PolarHBondContact O-N 3.34Å; Q71-L73 VanDerWaalsContact C-N 3.33Å; Q71-L73 PolarHBondContact O-N 2.85Å; L73-G76 PolarHBondContact O-N 2.87Å |
| 74 | A | 59.5 | Low | 58.8 | Low | 85 Ų | 85 | 126 Ų | 126 | 70% | 0.702 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -75.4 | -30.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115 | L70 Q71 G76 | L70-A74 WeakPolarHBondContact O-CB 3.29Å; L70-A74 PolarHBondContact O-N 3.43Å; Q71-A74 PolarHBondContact O-N 3.5Å; Q71-A74 VanDerWaalsContact O-N 3.16Å; A74-G76 VanDerWaalsContact C-N 3.32Å |
| 75 | V | 57.2 | Low | 56.8 | Low | 131 Ų | 131 | 123 Ų | 123 | 79% | 0.794 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -86.4 | -8.3 | 176.6 | -179.3 | 0 | 0 | 0 | 0 | 111.6 | Q71 K77 | Q71-V75 WeakPolarHBondContact O-CG2 3.47Å; Q71-V75 PolarHBondContact O-N 3.08Å; V75-K77 PolarHBondContact O-N 2.92Å |
| 76 | G | 48.9 | Very low | 54.6 | Low | 37 Ų | 37 | 125.3 Ų | 125.3 | 38% | 0.381 | 69% | 0.687 | S | S | . | * | S | Bend | trans | -73.1 | 83.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | A72 L73 A74 | A72-G76 PolarHBondContact O-N 3.41Å; L73-G76 PolarHBondContact O-N 2.87Å; A74-G76 VanDerWaalsContact C-N 3.32Å |
| 77 | K | 46.5 | Very low | 52.3 | Low | 194 Ų | 194 | 123.6 Ų | 123.6 | 84% | 0.843 | 69% | 0.693 | S | S | * | * | trans | 72.3 | 124.9 | 162.6 | -62.2 | 176.8 | 176 | 176.5 | 0 | 117.5 | V75 G79 | V75-K77 PolarHBondContact O-N 2.92Å; K77-G79 PolarHBondContact O-N 3.46Å | ||
| 78 | K | 40.3 | Very low | 50.4 | Low | 217 Ų | 217 | 124 Ų | 124 | 94% | 0.943 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -52.5 | 128.1 | 161.3 | -73.2 | 175.5 | 171.7 | 177.9 | 0 | 110.7 | ||
| 79 | G | 37.3 | Very low | 48.3 | Very low | 72 Ų | 72 | 125.3 Ų | 125.3 | 74% | 0.742 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 88.7 | 41.5 | 147.3 | 0 | 0 | 0 | 0 | 0 | 118 | K77 | K77-G79 PolarHBondContact O-N 3.46Š|
| 80 | E | 32.2 | Very low | 46.2 | Very low | 170 Ų | 170 | 126.1 Ų | 126.1 | 79% | 0.794 | 73% | 0.725 | S | S | * | * | trans | -153 | 141.2 | 149.2 | -111.8 | 171.3 | 106.3 | 0 | 0 | 110.3 | I82 | E80-I82 PolarHBondContact O-N 3.31Š| ||
| 81 | P | 39.4 | Very low | 44.5 | Very low | 120 Ų | 120 | 126.4 Ų | 126.4 | 78% | 0.779 | 73% | 0.731 | S | S | * | * | trans | -78.7 | 88.4 | -177.2 | 31.9 | -33.6 | 0 | 0 | 0 | 110.4 | N83 | P81-N83 PolarHBondContact O-N 2.88Å; P81-N83 VanDerWaalsContact O-N 3.08Å | ||
| 82 | I | 40.6 | Very low | 43 | Very low | 141 Ų | 141 | 132.7 Ų | 132.7 | 72% | 0.723 | 75% | 0.75 | S | S | * | * | trans | -71.4 | 108.2 | 178 | -55.4 | -177.2 | 0 | 0 | 0 | 108.9 | E80 I84 | E80-I82 PolarHBondContact O-N 3.31Å; I82-I84 PolarHBondContact O-N 3.21Å | ||
| 83 | N | 36.1 | Very low | 41.3 | Very low | 135 Ų | 135 | 134.3 Ų | 134.3 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | trans | -53.2 | 134.5 | 173.5 | -80.5 | -93.3 | 0 | 0 | 0 | 110.2 | P81 V85 | P81-N83 PolarHBondContact O-N 2.88Å; P81-N83 VanDerWaalsContact O-N 3.08Å; N83-V85 PolarHBondContact O-N 3.44Å | ||
| 84 | I | 39.5 | Very low | 40.1 | Very low | 168 Ų | 168 | 137.2 Ų | 137.2 | 86% | 0.862 | 77% | 0.765 | S | S | * | * | trans | -70.2 | 89 | 170 | -59.2 | 163.8 | 0 | 0 | 0 | 106.9 | I82 E86 | I82-I84 PolarHBondContact O-N 3.21Å; I84-E86 PolarHBondContact O-N 2.92Å; I84-E86 VanDerWaalsContact O-N 3.17Å | ||
| 85 | V | 39.2 | Very low | 38.9 | Very low | 128 Ų | 128 | 143.1 Ų | 143.1 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | -64.3 | 113.5 | 166.1 | 177.2 | 0 | 0 | 0 | 0 | 106.3 | N83 A87 | N83-V85 PolarHBondContact O-N 3.44Å; V85-A87 PolarHBondContact O-N 2.89Å | ||
| 86 | E | 35.2 | Very low | 37.5 | Very low | 167 Ų | 167 | 146.2 Ų | 146.2 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | trans | -50.4 | 111.5 | 175.2 | -86.6 | 172.8 | 95.1 | 0 | 0 | 109.6 | I84 | I84-E86 PolarHBondContact O-N 2.92Å; I84-E86 VanDerWaalsContact O-N 3.17Å | ||
| 87 | A | 32.9 | Very low | 36.9 | Very low | 82 Ų | 82 | 152.6 Ų | 152.6 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | trans | -56.2 | 131.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | V85 V89 | V85-A87 PolarHBondContact O-N 2.89Å; A87-V89 PolarHBondContact O-N 3.24Å | ||
| 88 | P | 35.9 | Very low | 36.2 | Very low | 118 Ų | 118 | 145.8 Ų | 145.8 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | trans | -61.4 | 115 | -170.2 | 23.3 | -33.3 | 0 | 0 | 0 | 109.4 | V90 | P88-V90 PolarHBondContact O-N 2.84Š| ||
| 89 | V | 38.3 | Very low | 36.3 | Very low | 118 Ų | 118 | 142.7 Ų | 142.7 | 72% | 0.715 | 78% | 0.775 | S | S | * | * | trans | -54.2 | 106.3 | 169.2 | 173.7 | 0 | 0 | 0 | 0 | 106.7 | A87 T91 | A87-V89 PolarHBondContact O-N 3.24Å; V89-T91 VanDerWaalsContact C-N 3.27Å; V89-T91 PolarHBondContact O-N 3.49Å | ||
| 90 | V | 35.4 | Very low | 36.1 | Very low | 136 Ų | 136 | 141 Ų | 141 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | trans | -63.2 | 97.3 | 175.9 | 175.3 | 0 | 0 | 0 | 0 | 106.4 | P88 R92 | P88-V90 PolarHBondContact O-N 2.84Å; V90-R92 PolarHBondContact O-N 2.7Å | ||
| 91 | T | 35.7 | Very low | 36.6 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | -54.2 | 128.8 | -179.8 | 18.4 | 0 | 0 | 0 | 0 | 107.9 | V89 S93 | V89-T91 VanDerWaalsContact C-N 3.27Å; V89-T91 PolarHBondContact O-N 3.49Å; T91-S93 PolarHBondContact O-N 3.32Å | ||
| 92 | R | 39.3 | Very low | 36.4 | Very low | 240 Ų | 240 | 136.6 Ų | 136.6 | 91% | 0.906 | 75% | 0.745 | S | S | * | * | trans | -59.4 | 78.6 | -175.9 | -175 | 179.6 | 179.7 | 173.6 | 1.3 | 110.7 | V90 K94 | V90-R92 PolarHBondContact O-N 2.7Å; R92-K94 PolarHBondContact O-N 3.01Å; R92-K94 VanDerWaalsContact O-N 3.11Å | ||
| 93 | S | 36.2 | Very low | 36.5 | Very low | 101 Ų | 101 | 135.6 Ų | 135.6 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | -60 | 117.8 | 172.6 | -177.7 | 0 | 0 | 0 | 0 | 106.9 | T91 R95 | T91-S93 PolarHBondContact O-N 3.32Å; S93-R95 PolarHBondContact O-N 2.87Å | ||
| 94 | K | 36.5 | Very low | 36.6 | Very low | 200 Ų | 200 | 135 Ų | 135 | 87% | 0.87 | 74% | 0.742 | S | S | * | * | trans | -74.5 | 66.8 | -170.8 | -164.1 | -178.3 | -173.6 | -177 | 0 | 109 | R92 Q96 | R92-K94 PolarHBondContact O-N 3.01Å; R92-K94 VanDerWaalsContact O-N 3.11Å; K94-Q96 PolarHBondContact O-N 2.88Å; K94-Q96 VanDerWaalsContact O-N 3.15Å | ||
| 95 | R | 33.3 | Very low | 36.5 | Very low | 209 Ų | 209 | 131 Ų | 131 | 79% | 0.789 | 73% | 0.726 | S | S | * | * | trans | -54.5 | 122.2 | 176.9 | -80.1 | -168.1 | 175.7 | -153.9 | -0.8 | 108.1 | S93 Y97 | S93-R95 PolarHBondContact O-N 2.87Å; R95-Y97 WeakPolarHBondContact O-CD2 3.26Å; R95-Y97 PolarHBondContact O-N 3.36Å | ||
| 96 | Q | 29.1 | Very low | 36.6 | Very low | 196 Ų | 196 | 131.5 Ų | 131.5 | 92% | 0.916 | 72% | 0.723 | S | S | * | * | trans | -57.5 | 111.7 | 172.3 | -81.1 | 160.4 | -61.2 | 0 | 0 | 108.3 | K94 G98 | K94-Q96 PolarHBondContact O-N 2.88Å; K94-Q96 VanDerWaalsContact O-N 3.15Å; Q96-G98 PolarHBondContact O-N 3.48Å; Q96-G98 VanDerWaalsContact O-N 3.07Å | ||
| 97 | Y | 36.6 | Very low | 37 | Very low | 171 Ų | 171 | 127.9 Ų | 127.9 | 67% | 0.671 | 71% | 0.714 | S | S | * | * | trans | -73 | 98.3 | 164.8 | -76.6 | -86.7 | 0 | 0 | 0 | 107.8 | R95 S102 | R95-Y97 WeakPolarHBondContact O-CD2 3.26Å; R95-Y97 PolarHBondContact O-N 3.36Å; Y97-S102 WeakPolarHBondContact CE1-OG 3.41Å | ||
| 98 | G | 31.6 | Very low | 37.2 | Very low | 50 Ų | 50 | 128.6 Ų | 128.6 | 52% | 0.515 | 72% | 0.72 | S | S | . | * | trans | -57.4 | 159.7 | 149.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q96 G100 | Q96-G98 PolarHBondContact O-N 3.48Å; Q96-G98 VanDerWaalsContact O-N 3.07Å; G98-G100 PolarHBondContact O-N 3.48Å | ||
| 99 | P | 42.6 | Very low | 37.5 | Very low | 152 Ų | 152 | 126.4 Ų | 126.4 | 99% | 0.987 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -71.7 | 89.7 | -166.5 | 29.1 | -35.4 | 0 | 0 | 0 | 112.2 | ||
| 100 | G | 33.1 | Very low | 37.9 | Very low | 38 Ų | 38 | 128.2 Ų | 128.2 | 39% | 0.392 | 72% | 0.724 | S | S | . | * | trans | -137.7 | 127.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | G98 S102 | G98-G100 PolarHBondContact O-N 3.48Å; G100-S102 PolarHBondContact O-N 3.35Å; G100-S102 PolarHBondContact O-OG 2.87Å | ||
| 101 | P | 42.5 | Very low | 38.5 | Very low | 135 Ų | 135 | 127.5 Ų | 127.5 | 88% | 0.877 | 72% | 0.724 | S | S | * | * | trans | -71.5 | 100.3 | -165.8 | 28.7 | -34.6 | 0 | 0 | 0 | 111 | ||||
| 102 | S | 35 | Very low | 39.3 | Very low | 61 Ų | 61 | 125.8 Ų | 125.8 | 43% | 0.427 | 72% | 0.716 | S | S | . | * | trans | -99.6 | 92.6 | -179.3 | -58.9 | 0 | 0 | 0 | 0 | 110 | Y97 G100 N104 | Y97-S102 WeakPolarHBondContact CE1-OG 3.41Å; G100-S102 PolarHBondContact O-N 3.35Å; G100-S102 PolarHBondContact O-OG 2.87Å; S102-N104 PolarHBondContact O-N 3.39Å; S102-N104 PolarHBondContact O-ND2 2.9Å | ||
| 103 | V | 42.3 | Very low | 40.2 | Very low | 120 Ų | 120 | 119.2 Ų | 119.2 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | trans | -65.5 | 114.4 | 172.4 | -75.4 | 0 | 0 | 0 | 0 | 109.8 | V105 | V103-V105 PolarHBondContact O-N 3.06Š| ||
| 104 | N | 37.7 | Very low | 40.9 | Very low | 122 Ų | 122 | 116.4 Ų | 116.4 | 65% | 0.652 | 69% | 0.687 | S | S | * | * | trans | -86.8 | 97.7 | 179 | -74.5 | -87.5 | 0 | 0 | 0 | 109.1 | S102 L106 | S102-N104 PolarHBondContact O-N 3.39Å; S102-N104 PolarHBondContact O-ND2 2.9Å; N104-L106 PolarHBondContact O-N 3.04Å | ||
| 105 | V | 39.1 | Very low | 42 | Very low | 85 Ų | 85 | 114.2 Ų | 114.2 | 52% | 0.515 | 68% | 0.68 | S | S | . | * | trans | -80.1 | 108.6 | 174.9 | -164.4 | 0 | 0 | 0 | 0 | 110 | F55 V103 | F55-V105 HydrophobicContact CD1-CG1 4.28Å; F55-V105 HydrophobicContact CD2-CB 4.16Å; F55-V105 HydrophobicContact CD2-CG1 4.29Å; F55-V105 HydrophobicContact CD2-CG2 3.86Å; F55-V105 HydrophobicContact CE1-CB 4.37Å; F55-V105 HydrophobicContact CE1-CG1 3.56Å; F55-V105 HydrophobicContact CE2-CB 3.44Å; F55-V105 VanDerWaalsContact CE2-CB 3.44Å; F55-V105 HydrophobicContact CE2-CG1 3.59Å; F55-V105 HydrophobicContact CE2-CG2 3.67Å; F55-V105 HydrophobicContact CZ-CB 3.59Å; F55-V105 HydrophobicContact CZ-CG1 3.18Å; F55-V105 HydrophobicContact CZ-CG2 4.19Å; V103-V105 PolarHBondContact O-N 3.06Å | ||
| 106 | L | 41.1 | Very low | 43.4 | Very low | 139 Ų | 139 | 109 Ų | 109 | 73% | 0.728 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 160.6 | 174.9 | -83.1 | 115.7 | 0 | 0 | 0 | 112.1 | N104 | N104-L106 PolarHBondContact O-N 3.04Š|
| 107 | P | 42.6 | Very low | 45 | Very low | 91 Ų | 91 | 100 Ų | 100 | 59% | 0.591 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 138.9 | 179.1 | 28.8 | -33.7 | 0 | 0 | 0 | 113 | R59 G109 | R59-P107 VanDerWaalsContact NH2-CA 3.32Å; P107-G109 PolarHBondContact O-N 3.44Å |
| 108 | A | 36.9 | Very low | 46.5 | Very low | 97 Ų | 97 | 96.7 Ų | 96.7 | 80% | 0.802 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | 121 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 109 | G | 42.7 | Very low | 48.5 | Very low | 71 Ų | 71 | 98.2 Ų | 98.2 | 73% | 0.732 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 174.6 | -39.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | P107 | P107-G109 PolarHBondContact O-N 3.44Š|
| 110 | D | 45.9 | Very low | 50.2 | Low | 156 Ų | 156 | 91.2 Ų | 91.2 | 83% | 0.834 | 58% | 0.58 | S | S | * | * | trans | -98.5 | 106 | -179.1 | -71.4 | -53.6 | 0 | 0 | 0 | 112.2 | ||||
| 111 | C | 49.8 | Very low | 52.3 | Low | 121 Ų | 121 | 93.6 Ų | 93.6 | 82% | 0.818 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -62.9 | 139.2 | 167 | -66.5 | 0 | 0 | 0 | 0 | 110.5 | ||
| 112 | C | 51.7 | Low | 54 | Low | 87 Ų | 87 | 91 Ų | 91 | 59% | 0.588 | 57% | 0.571 | S | S | * | * | trans | 70.7 | 101.8 | -170.8 | -48 | 0 | 0 | 0 | 0 | 113.8 | C114 | C112-C114 VanDerWaalsContact CB-SG 3.56Å; C112-C114 PolarHBondContact O-N 3Å | ||
| 113 | S | 57.6 | Low | 56.2 | Low | 102 Ų | 102 | 88.3 Ų | 88.3 | 71% | 0.713 | 55% | 0.553 | S | S | * | * | trans | -69.1 | 61.1 | 153.6 | 49.7 | 0 | 0 | 0 | 0 | 110.4 | Q115 | S113-Q115 PolarHBondContact O-N 2.91Š| ||
| 114 | C | 51.7 | Low | 57.9 | Low | 42 Ų | 42 | 86.5 Ų | 86.5 | 28% | 0.284 | 54% | 0.544 | S | S | . | . | trans | -60.8 | 93 | 163.6 | -70.1 | 0 | 0 | 0 | 0 | 107.2 | C112 Q116 C162 | C112-C114 VanDerWaalsContact CB-SG 3.56Å; C112-C114 PolarHBondContact O-N 3Å; C114-Q116 PolarHBondContact O-N 3.47Å; C114-C162 HydrophobicContact CB-CB 4.33Å; C114-C162 VanDerWaalsContact SG-SG 3.69Å | ||
| 115 | Q | 59.4 | Low | 59.8 | Low | 153 Ų | 153 | 84.8 Ų | 84.8 | 72% | 0.715 | 54% | 0.539 | S | S | * | . | trans | -59 | 107.4 | 165.7 | -78.4 | -170 | 55.4 | 0 | 0 | 106.1 | S113 G117 G288 | S113-Q115 PolarHBondContact O-N 2.91Å; Q115-G117 PolarHBondContact O-N 3.37Å; Q115-G288 WeakPolarHBondContact O-CA 3.39Å | ||
| 116 | Q | 62.4 | Low | 61.7 | Low | 101 Ų | 101 | 81 Ų | 81 | 47% | 0.472 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 120.4 | -179.7 | -147.2 | -177.7 | 21.9 | 0 | 0 | 106.4 | C114 | C114-Q116 PolarHBondContact O-N 3.47Š|
| 117 | G | 62.1 | Low | 63.3 | Low | 5 Ų | 5 | 85 Ų | 85 | 5% | 0.052 | 52% | 0.523 | C | S | . | . | P | Polyproline II helix | trans | -52.7 | 147.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 110 | Q115 G165 K286 | Q115-G117 PolarHBondContact O-N 3.37Å; G117-G165 WeakPolarHBondContact O-CA 3.44Å; G117-K286 WeakPolarHBondContact CA-O 3.32Å |
| 118 | P | 69.2 | Low | 65 | Low | 103 Ų | 103 | 86.2 Ų | 86.2 | 67% | 0.669 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -51.2 | 140.7 | -172.9 | 21 | -33.1 | 0 | 0 | 0 | 110.1 | G120 G285 | P118-G120 PolarHBondContact O-N 2.89Å; P118-G285 WeakPolarHBondContact O-CA 3.32Å |
| 119 | P | 73.7 | Confident | 66.6 | Low | 82 Ų | 82 | 82 Ų | 82 | 53% | 0.532 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -48.7 | 142 | -179.9 | -24.7 | 31.1 | 0 | 0 | 0 | 110.5 | P166 | P119-P166 WeakPolarHBondContact CA-O 3.4Å; P119-P166 HydrophobicContact CB-CG 4.22Å; P119-P166 HydrophobicContact CG-CG 3.98Å |
| 120 | G | 77.4 | Confident | 68.1 | Low | 5 Ų | 5 | 88.8 Ų | 88.8 | 5% | 0.052 | 49% | 0.494 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 160.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | P118 P166 G168 P283 | P118-G120 PolarHBondContact O-N 2.89Å; G120-P166 PolarHBondContact N-O 3.35Å; G120-G168 WeakPolarHBondContact O-CA 3.24Å; G120-P283 WeakPolarHBondContact CA-O 3.44Å |
| 121 | P | 76.9 | Confident | 69.5 | Low | 87 Ų | 87 | 85.9 Ų | 85.9 | 57% | 0.565 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -52.3 | 148.2 | 174.3 | 25.2 | -34.3 | 0 | 0 | 0 | 109.8 | G282 P283 | P121-G282 WeakPolarHBondContact O-CA 3.23Å; P121-P283 HydrophobicContact CG-CG 4.35Å |
| 122 | P | 79 | Confident | 70.4 | Confident | 81 Ų | 81 | 80.4 Ų | 80.4 | 53% | 0.526 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -49.4 | 148.7 | 174 | -24.7 | 32.9 | 0 | 0 | 0 | 111.1 | P169 | P122-P169 HydrophobicContact CB-CG 4.06Å; P122-P169 HydrophobicContact CG-CG 3.92Å |
| 123 | G | 80.1 | Confident | 71.3 | Confident | 5 Ų | 5 | 80 Ų | 80 | 5% | 0.052 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 161.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | P169 G171 P280 | G123-P169 PolarHBondContact N-O 3.32Å; G123-G171 VanDerWaalsContact O-CA 3.22Å; G123-G171 WeakPolarHBondContact O-CA 3.48Å; G123-P280 VanDerWaalsContact CA-O 3.32Å; G123-P280 WeakPolarHBondContact CA-O 3.28Å |
| 124 | P | 78.4 | Confident | 72 | Confident | 82 Ų | 82 | 79.3 Ų | 79.3 | 53% | 0.532 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 150.1 | 164.8 | 28.4 | -34.9 | 0 | 0 | 0 | 108.9 | G279 P280 | P124-G279 WeakPolarHBondContact O-CA 3.29Å; P124-P280 HydrophobicContact CG-CG 3.98Å |
| 125 | P | 79 | Confident | 72.7 | Confident | 86 Ų | 86 | 77.7 Ų | 77.7 | 56% | 0.558 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -51 | 156.7 | 177.9 | -27.7 | 35.4 | 0 | 0 | 0 | 113.1 | P172 | P125-P172 HydrophobicContact CB-CG 4.35Å; P125-P172 HydrophobicContact CG-CG 4.29Å |
| 126 | G | 77.4 | Confident | 73 | Confident | 6 Ų | 6 | 78.9 Ų | 78.9 | 6% | 0.062 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -51.1 | 151 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | P172 G174 P277 | G126-P172 PolarHBondContact N-O 2.89Å; G126-G174 VanDerWaalsContact O-CA 3.27Å; G126-G174 WeakPolarHBondContact O-CA 3.35Å; G126-P277 WeakPolarHBondContact CA-O 2.99Å |
| 127 | R | 76.4 | Confident | 73.3 | Confident | 222 Ų | 222 | 77.5 Ų | 77.5 | 84% | 0.838 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 145.1 | 161.1 | -70.1 | -173.9 | 176 | -166.8 | -2.1 | 108.2 | G276 | R127-G276 WeakPolarHBondContact O-CA 3.08Š|
| 128 | D | 76.7 | Confident | 73 | Confident | 116 Ų | 116 | 79.6 Ų | 79.6 | 62% | 0.62 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -48.8 | 147.8 | 177.8 | -51.9 | -21.1 | 0 | 0 | 0 | 111.4 | P175 | D128-P175 HydrophobicContact CB-CG 4.25Å; D128-P175 WeakPolarHBondContact OD1-CD 3.26Å; D128-P175 WeakPolarHBondContact OD1-CG 3.31Å |
| 129 | G | 71.6 | Confident | 72.5 | Confident | 8 Ų | 8 | 80 Ų | 80 | 8% | 0.082 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -51.3 | 144.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | P175 G177 P274 | G129-P175 PolarHBondContact N-O 3.44Å; G129-G177 WeakPolarHBondContact O-CA 3.25Å; G129-P274 WeakPolarHBondContact CA-O 3.22Å |
| 130 | R | 74.5 | Confident | 71.7 | Confident | 215 Ų | 215 | 81.8 Ų | 81.8 | 81% | 0.811 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 141.8 | 168.2 | -67.4 | -173.2 | 179.3 | -151.1 | 0.2 | 108.1 | G273 | R130-G273 WeakPolarHBondContact O-CA 3.33Š|
| 131 | P | 73.8 | Confident | 70.2 | Confident | 95 Ų | 95 | 85 Ų | 85 | 62% | 0.617 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -48.6 | 149.1 | 173.6 | -27.5 | 34.9 | 0 | 0 | 0 | 111.4 | ||
| 132 | G | 70.2 | Confident | 68.9 | Low | 6 Ų | 6 | 86.8 Ų | 86.8 | 6% | 0.062 | 51% | 0.506 | C | S | . | . | P | Polyproline II helix | trans | -50.7 | 149.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L178 G180 A271 | G132-L178 PolarHBondContact N-O 3.26Å; G132-G180 VanDerWaalsContact O-CA 3.23Å; G132-G180 WeakPolarHBondContact O-CA 3.42Å; G132-A271 VanDerWaalsContact CA-O 3.24Å; G132-A271 WeakPolarHBondContact CA-O 3.46Å |
| 133 | A | 70.8 | Confident | 67.2 | Low | 78 Ų | 78 | 89.3 Ų | 89.3 | 65% | 0.645 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 144.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | G270 | A133-G270 WeakPolarHBondContact O-CA 3.18Š|
| 134 | P | 72.3 | Confident | 65 | Low | 88 Ų | 88 | 92.5 Ų | 92.5 | 57% | 0.571 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 148 | 171 | -27.1 | 34.8 | 0 | 0 | 0 | 111.5 | P181 | P134-P181 WeakPolarHBondContact CA-O 3.32Å; P134-P181 HydrophobicContact CB-CG 4.02Å; P134-P181 HydrophobicContact CG-CG 3.97Å |
| 135 | G | 64.7 | Low | 63.2 | Low | 8 Ų | 8 | 99.6 Ų | 99.6 | 8% | 0.082 | 57% | 0.571 | C | S | . | * | P | Polyproline II helix | trans | -50.1 | 145.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | P181 G183 D268 | G135-P181 PolarHBondContact N-O 3.44Å; G135-G183 VanDerWaalsContact O-CA 3.22Å; G135-G183 WeakPolarHBondContact O-CA 3.27Å; G135-D268 VanDerWaalsContact CA-O 3.25Å; G135-D268 WeakPolarHBondContact CA-O 3.43Å |
| 136 | R | 67.3 | Low | 61.2 | Low | 177 Ų | 177 | 102.7 Ų | 102.7 | 67% | 0.668 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 135.9 | 173.4 | -73.4 | -172.7 | 173.6 | -146.1 | 0.8 | 108.9 | N139 | R136-N139 PolarHBondContact NH1-OD1 3.45Š|
| 137 | P | 68.5 | Low | 59.1 | Low | 73 Ų | 73 | 106.1 Ų | 106.1 | 47% | 0.474 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -53.3 | 148.9 | 156.3 | -22.6 | 34.1 | 0 | 0 | 0 | 109.9 | N139 | P137-N139 PolarHBondContact O-N 2.99Š|
| 138 | G | 55.6 | Low | 57 | Low | 48 Ų | 48 | 103 Ų | 103 | 50% | 0.495 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -53.8 | 128.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | P140 | G138-P140 WeakPolarHBondContact O-CD 3.37Š|
| 139 | N | 58.5 | Low | 55.1 | Low | 112 Ų | 112 | 105 Ų | 105 | 60% | 0.599 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -85 | 127.9 | -167.5 | -50.8 | -95.2 | 0 | 0 | 0 | 112.7 | R136 P137 | R136-N139 PolarHBondContact NH1-OD1 3.45Å; P137-N139 PolarHBondContact O-N 2.99Å |
| 140 | P | 57.7 | Low | 53.7 | Low | 119 Ų | 119 | 112 Ų | 112 | 77% | 0.773 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 158.3 | 148.2 | -20.4 | 34.5 | 0 | 0 | 0 | 111.8 | G138 | G138-P140 WeakPolarHBondContact O-CD 3.37Š|
| 141 | G | 44.9 | Very low | 52.9 | Low | 72 Ų | 72 | 107.5 Ų | 107.5 | 74% | 0.742 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 164.9 | -165 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||
| 142 | P | 48.9 | Very low | 51.5 | Low | 125 Ų | 125 | 108.6 Ų | 108.6 | 81% | 0.812 | 67% | 0.669 | S | S | * | * | trans | -89.9 | -178.7 | -173.3 | 40 | -39.3 | 0 | 0 | 0 | 113.7 | ||||
| 143 | P | 43.9 | Very low | 50.4 | Low | 134 Ų | 134 | 114.4 Ų | 114.4 | 87% | 0.87 | 71% | 0.705 | S | S | * | * | cis | -130.6 | -168 | 10.8 | 37.9 | -16.5 | 0 | 0 | 0 | 114.1 | ||||
| 144 | G | 33.7 | Very low | 49.4 | Very low | 72 Ų | 72 | 116.6 Ų | 116.6 | 74% | 0.742 | 71% | 0.713 | S | S | * | * | cis | 162.9 | -161.3 | -3.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 145 | R | 41.9 | Very low | 48 | Very low | 232 Ų | 232 | 118.4 Ų | 118.4 | 88% | 0.875 | 73% | 0.725 | S | S | * | * | trans | 90.4 | 112 | 172.7 | -69.5 | -168.5 | 156.2 | 159.9 | -1.9 | 122.2 | ||||
| 146 | D | 36 | Very low | 47 | Very low | 151 Ų | 151 | 128 Ų | 128 | 81% | 0.807 | 76% | 0.764 | S | S | * | * | 53.4 | 130.6 | 122 | -41.6 | -27.4 | 0 | 0 | 0 | 123.7 | |||||
| 147 | G | 33 | Very low | 46.4 | Very low | 77 Ų | 77 | 125.3 Ų | 125.3 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | trans | 167.8 | 69.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 148 | N | 32.6 | Very low | 45.3 | Very low | 157 Ų | 157 | 128 Ų | 128 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | trans | 32.8 | 122.9 | 131.2 | -89.9 | -3.1 | 0 | 0 | 0 | 123.8 | ||||
| 149 | L | 36.4 | Very low | 44.4 | Very low | 158 Ų | 158 | 131.3 Ų | 131.3 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | 156.8 | 153.1 | 114.7 | -89.1 | 160.9 | 0 | 0 | 0 | 118 | |||||
| 150 | L | 41.7 | Very low | 43.7 | Very low | 154 Ų | 154 | 134.6 Ų | 134.6 | 81% | 0.806 | 81% | 0.813 | S | S | * | * | trans | -46.9 | 145.1 | -176.8 | -59.9 | 158.8 | 0 | 0 | 0 | 119.6 | ||||
| 151 | P | 58.2 | Low | 43.1 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | trans | -106 | 141.5 | 161.4 | 36.4 | -28.7 | 0 | 0 | 0 | 114.2 | ||||
| 152 | P | 45.1 | Very low | 43.2 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 153.6 | 178.8 | 36.4 | -34.6 | 0 | 0 | 0 | 114.3 | ||
| 153 | P | 46.2 | Very low | 43.3 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 131.7 | 178.9 | 33.6 | -32.8 | 0 | 0 | 0 | 114.3 | ||
| 154 | P | 51.2 | Low | 44.2 | Very low | 123 Ų | 123 | 133.3 Ų | 133.3 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 170.2 | 177.6 | 35.9 | -34.7 | 0 | 0 | 0 | 114.6 | ||
| 155 | P | 42.3 | Very low | 45.5 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 83% | 0.825 | 74% | 0.739 | S | S | * | * | trans | -99.8 | -176.8 | -154.2 | 39.2 | -37.9 | 0 | 0 | 0 | 117.8 | ||||
| 156 | K | 44.3 | Very low | 46.7 | Very low | 208 Ų | 208 | 120.6 Ų | 120.6 | 90% | 0.904 | 71% | 0.709 | S | S | * | * | trans | -82.6 | 139.9 | -164.4 | -45.2 | 169.8 | -171.9 | 176.8 | 0 | 114.4 | ||||
| 157 | P | 53.7 | Low | 48.5 | Very low | 122 Ų | 122 | 117.4 Ų | 117.4 | 79% | 0.792 | 69% | 0.69 | S | S | * | * | trans | -109.8 | 149.7 | 167.8 | 36.9 | -29.5 | 0 | 0 | 0 | 114.4 | ||||
| 158 | P | 46.7 | Very low | 50.5 | Low | 129 Ų | 129 | 113.8 Ų | 113.8 | 84% | 0.838 | 65% | 0.653 | S | S | * | * | trans | -97.1 | 174.4 | -175.5 | 38.2 | -36.8 | 0 | 0 | 0 | 116 | ||||
| 159 | C | 34.6 | Very low | 52.5 | Low | 118 Ų | 118 | 109.6 Ų | 109.6 | 80% | 0.797 | 63% | 0.634 | S | S | * | * | trans | -80.9 | 154 | -171.4 | -46.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 160 | Q | 44.9 | Very low | 54.4 | Low | 180 Ų | 180 | 105.6 Ų | 105.6 | 84% | 0.841 | 62% | 0.617 | S | S | * | * | trans | -173.9 | 138.9 | 139.2 | -108.3 | 165.9 | 70.8 | 0 | 0 | 115.5 | ||||
| 161 | K | 44.5 | Very low | 56.1 | Low | 185 Ų | 185 | 98.3 Ų | 98.3 | 80% | 0.804 | 58% | 0.579 | S | S | * | * | S | Bend | trans | 58.5 | 133.2 | 166.1 | -66.4 | -177.3 | 179 | 176.1 | 0 | 119.1 | P163 | K161-P163 WeakPolarHBondContact O-CD 3.37Å; K161-P163 VanDerWaalsContact O-N 3.11Å |
| 162 | C | 47 | Very low | 56.9 | Low | 89 Ų | 89 | 96 Ų | 96 | 60% | 0.601 | 56% | 0.564 | S | S | * | * | trans | -56.7 | 105.4 | -172.8 | -55.5 | 0 | 0 | 0 | 0 | 113.1 | C114 | C114-C162 HydrophobicContact CB-CB 4.33Å; C114-C162 VanDerWaalsContact SG-SG 3.69Å | ||
| 163 | P | 52.5 | Low | 58.5 | Low | 82 Ų | 82 | 93.8 Ų | 93.8 | 53% | 0.532 | 55% | 0.55 | S | S | . | * | trans | -82.4 | 170.6 | 176.5 | 27.3 | -17.9 | 0 | 0 | 0 | 110.7 | K161 | K161-P163 WeakPolarHBondContact O-CD 3.37Å; K161-P163 VanDerWaalsContact O-N 3.11Å | ||
| 164 | P | 61.4 | Low | 60 | Low | 67 Ų | 67 | 87.8 Ų | 87.8 | 44% | 0.435 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -46.3 | 164.2 | 164.2 | -28.9 | 36.3 | 0 | 0 | 0 | 113.2 | P284 | P164-P284 HydrophobicContact CB-CB 3.94Š|
| 165 | G | 61.5 | Low | 61.1 | Low | 1 Ų | 1 | 85.5 Ų | 85.5 | 1% | 0.01 | 50% | 0.496 | C | S | . | . | B | Isolated β-bridge | trans | -43.5 | 132.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | G117 M167 G285 | G117-G165 WeakPolarHBondContact O-CA 3.44Å; G165-M167 PolarHBondContact O-N 3.02Å; G165-G285 PolarHBondContact N-O 2.98Å; G165-G285 PolarHBondContact O-N 2.89Å |
| 166 | P | 66.2 | Low | 62.8 | Low | 37 Ų | 37 | 85 Ų | 85 | 24% | 0.24 | 48% | 0.481 | C | S | . | . | trans | -58 | 135 | -167.5 | 28.1 | -32.1 | 0 | 0 | 0 | 107.2 | P119 G120 G168 | P119-P166 WeakPolarHBondContact CA-O 3.4Å; P119-P166 HydrophobicContact CB-CG 4.22Å; P119-P166 HydrophobicContact CG-CG 3.98Å; G120-P166 PolarHBondContact N-O 3.35Å; P166-G168 PolarHBondContact O-N 3.36Å | ||
| 167 | M | 73.8 | Confident | 64.2 | Low | 84 Ų | 84 | 75.3 Ų | 75.3 | 41% | 0.414 | 44% | 0.44 | S | S | . | . | trans | -43.1 | 139.1 | 177.9 | -164.6 | 163 | 61.4 | 0 | 0 | 108.1 | G165 R281 G282 | G165-M167 PolarHBondContact O-N 3.02Å; M167-R281 VanDerWaalsContact C-NE 3.34Å; M167-R281 HydrophobicContact CB-CG 4.16Å; M167-R281 HydrophobicContact CE-CB 3.88Å; M167-R281 HydrophobicContact CE-CG 4.16Å; M167-R281 HydrophobicContact CG-CB 4.01Å; M167-R281 HydrophobicContact CG-CG 3.77Å; M167-R281 PolarHBondContact O-NE 3.27Å; M167-R281 PolarHBondContact O-NH2 3.47Å; M167-R281 HydrophobicContact SD-CB 4.29Å; M167-G282 WeakPolarHBondContact CG-O 3.41Å | ||
| 168 | G | 75.2 | Confident | 65.4 | Low | 1 Ų | 1 | 76 Ų | 76 | 1% | 0.01 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -54.1 | 171 | -166.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G120 P166 R281 G282 | G120-G168 WeakPolarHBondContact O-CA 3.24Å; P166-G168 PolarHBondContact O-N 3.36Å; G168-R281 WeakPolarHBondContact O-CD 3.29Å; G168-R281 WeakPolarHBondContact O-CG 3.16Å; G168-R281 PolarHBondContact O-NE 2.98Å; G168-G282 PolarHBondContact N-O 2.9Å |
| 169 | P | 74.8 | Confident | 66.9 | Low | 68 Ų | 68 | 72.6 Ų | 72.6 | 44% | 0.442 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 150.2 | 164.4 | 26.7 | -32.8 | 0 | 0 | 0 | 109.4 | P122 G123 G171 | P122-P169 HydrophobicContact CB-CG 4.06Å; P122-P169 HydrophobicContact CG-CG 3.92Å; G123-P169 PolarHBondContact N-O 3.32Å; P169-G171 PolarHBondContact O-N 3.17Å |
| 170 | P | 77.5 | Confident | 68.7 | Low | 74 Ų | 74 | 67.2 Ų | 67.2 | 48% | 0.481 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -46.8 | 142.5 | 166.5 | -27.1 | 35.8 | 0 | 0 | 0 | 110.3 | P278 | P170-P278 HydrophobicContact CB-CB 4.03Š|
| 171 | G | 77.4 | Confident | 70.1 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.01 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 153.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | G123 P169 G279 | G123-G171 VanDerWaalsContact O-CA 3.22Å; G123-G171 WeakPolarHBondContact O-CA 3.48Å; P169-G171 PolarHBondContact O-N 3.17Å; G171-G279 PolarHBondContact N-O 3.4Å; G171-G279 PolarHBondContact O-N 3.35Å; G171-G279 VanDerWaalsContact O-N 3.08Å |
| 172 | P | 74.9 | Confident | 71.7 | Confident | 73 Ų | 73 | 59.7 Ų | 59.7 | 47% | 0.474 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.1 | 149.5 | 175.9 | 24.9 | -34.1 | 0 | 0 | 0 | 110.1 | P125 G126 G174 | P125-P172 HydrophobicContact CB-CG 4.35Å; P125-P172 HydrophobicContact CG-CG 4.29Å; G126-P172 PolarHBondContact N-O 2.89Å; P172-G174 PolarHBondContact O-N 2.84Å |
| 173 | P | 77.5 | Confident | 72.8 | Confident | 73 Ų | 73 | 55.8 Ų | 55.8 | 47% | 0.474 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -48.3 | 141.1 | 172.8 | -26 | 34.7 | 0 | 0 | 0 | 111.2 | V275 G276 | P173-V275 HydrophobicContact CB-CG1 3.41Å; P173-V275 VanDerWaalsContact CB-CG1 3.41Å; P173-G276 WeakPolarHBondContact CB-O 3.42Å |
| 174 | G | 77.5 | Confident | 73.9 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -61 | 159 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | G126 P172 V275 G276 | G126-G174 VanDerWaalsContact O-CA 3.27Å; G126-G174 WeakPolarHBondContact O-CA 3.35Å; P172-G174 PolarHBondContact O-N 2.84Å; G174-V275 WeakPolarHBondContact O-CG1 3.48Å; G174-G276 PolarHBondContact N-O 3.22Å; G174-G276 PolarHBondContact O-N 3.45Å |
| 175 | P | 75 | Confident | 74.5 | Confident | 75 Ų | 75 | 59 Ų | 59 | 49% | 0.487 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 158.5 | 175.2 | 27.2 | -35.2 | 0 | 0 | 0 | 110.8 | D128 G129 G276 | D128-P175 HydrophobicContact CB-CG 4.25Å; D128-P175 WeakPolarHBondContact OD1-CD 3.26Å; D128-P175 WeakPolarHBondContact OD1-CG 3.31Å; G129-P175 PolarHBondContact N-O 3.44Å; P175-G276 PolarHBondContact O-N 3.37Å |
| 176 | K | 77.6 | Confident | 74.9 | Confident | 117 Ų | 117 | 59.6 Ų | 59.6 | 51% | 0.509 | 35% | 0.349 | S | S | . | . | B | Isolated β-bridge | trans | -54.9 | 144.2 | 172.4 | -73.1 | -178.3 | 177.5 | 176.8 | 0 | 110.1 | E272 V275 | K176-E272 HydrophobicContact CD-CB 4.33Å; K176-E272 WeakPolarHBondContact CD-OE2 3.34Å; K176-E272 WeakPolarHBondContact CE-OE2 3.42Å; K176-E272 IonicContact NZ-OE2 2.75Å; K176-E272 PolarHBondContact NZ-OE2 2.93Å; K176-V275 HydrophobicContact CG-CG2 3.86Å |
| 177 | G | 74.8 | Confident | 75.2 | Confident | 4 Ų | 4 | 66.4 Ų | 66.4 | 4% | 0.041 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 148.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | G129 G273 | G129-G177 WeakPolarHBondContact O-CA 3.25Å; G177-G273 PolarHBondContact N-O 2.91Å; G177-G273 PolarHBondContact O-N 2.99Å |
| 178 | L | 77.3 | Confident | 74.8 | Confident | 137 Ų | 137 | 67.2 Ų | 67.2 | 72% | 0.717 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 152.6 | 175.1 | -62.7 | 177.2 | 0 | 0 | 0 | 111 | G132 | G132-L178 PolarHBondContact N-O 3.26Š|
| 179 | P | 78.2 | Confident | 74.3 | Confident | 58 Ų | 58 | 68.8 Ų | 68.8 | 38% | 0.377 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -48.2 | 144.5 | 171.3 | -27.7 | 35.5 | 0 | 0 | 0 | 112.1 | M269 E272 | P179-M269 HydrophobicContact CB-CG 4.17Å; P179-M269 HydrophobicContact CB-SD 4.05Å; P179-E272 HydrophobicContact CG-CG 4.44Å |
| 180 | G | 73.3 | Confident | 73.8 | Confident | 4 Ų | 4 | 74.3 Ų | 74.3 | 4% | 0.041 | 43% | 0.427 | C | S | . | . | B | Isolated β-bridge | trans | -66.1 | 156.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | G132 G270 | G132-G180 VanDerWaalsContact O-CA 3.23Å; G132-G180 WeakPolarHBondContact O-CA 3.42Å; G180-G270 PolarHBondContact N-O 3.42Å; G180-G270 PolarHBondContact O-N 3.48Å |
| 181 | P | 74.6 | Confident | 73 | Confident | 82 Ų | 82 | 76.7 Ų | 76.7 | 53% | 0.532 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 154.6 | 173.5 | 26.9 | -34.6 | 0 | 0 | 0 | 110.6 | P134 G135 | P134-P181 WeakPolarHBondContact CA-O 3.32Å; P134-P181 HydrophobicContact CB-CG 4.02Å; P134-P181 HydrophobicContact CG-CG 3.97Å; G135-P181 PolarHBondContact N-O 3.44Å |
| 182 | Q | 77.1 | Confident | 72 | Confident | 126 Ų | 126 | 78.1 Ų | 78.1 | 59% | 0.589 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 141.8 | 176.6 | -169.8 | 173.5 | 0.4 | 0 | 0 | 110.8 | P266 G267 | Q182-P266 VanDerWaalsContact NE2-CB 3.29Å; Q182-G267 WeakPolarHBondContact CG-O 3.3Å; Q182-G267 PolarHBondContact NE2-O 3.03Å; Q182-G267 VanDerWaalsContact NE2-O 3.08Å |
| 183 | G | 71.3 | Confident | 71.3 | Confident | 7 Ų | 7 | 78.9 Ų | 78.9 | 7% | 0.072 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 150 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G135 G267 D268 | G135-G183 VanDerWaalsContact O-CA 3.22Å; G135-G183 WeakPolarHBondContact O-CA 3.27Å; G183-G267 PolarHBondContact O-N 3.47Å; G183-D268 PolarHBondContact N-O 3.16Å; G183-D268 VanDerWaalsContact N-O 3.14Å |
| 184 | D | 75.2 | Confident | 70.2 | Confident | 121 Ų | 121 | 80.9 Ų | 80.9 | 65% | 0.647 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 149.4 | 176.3 | -63.4 | -62.1 | 0 | 0 | 0 | 111.5 | ||
| 185 | P | 73.4 | Confident | 69 | Low | 94 Ų | 94 | 82.3 Ų | 82.3 | 61% | 0.61 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 145.3 | 176.8 | -23.6 | 34 | 0 | 0 | 0 | 112.6 | ||
| 186 | G | 69.7 | Low | 68.3 | Low | 15 Ų | 15 | 89.9 Ų | 89.9 | 16% | 0.155 | 51% | 0.51 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 147.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G264 D265 | G186-G264 PolarHBondContact O-N 3.04Å; G186-D265 PolarHBondContact N-O 3.45Å |
| 187 | E | 73.1 | Confident | 67.5 | Low | 180 Ų | 180 | 89.9 Ų | 89.9 | 84% | 0.841 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 147.3 | 177.4 | -64.8 | -174.2 | 112.6 | 0 | 0 | 111.5 | ||
| 188 | P | 66.4 | Low | 66.7 | Low | 101 Ų | 101 | 91.2 Ų | 91.2 | 66% | 0.656 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 140.3 | 178.3 | -25.1 | 34.6 | 0 | 0 | 0 | 112.5 | M190 | P188-M190 PolarHBondContact O-N 3.48Š|
| 189 | G | 64.1 | Low | 65.7 | Low | 33 Ų | 33 | 90.7 Ų | 90.7 | 34% | 0.34 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 136.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G261 | G189-G261 PolarHBondContact O-N 3.19Š|
| 190 | M | 64.8 | Low | 64.8 | Low | 184 Ų | 184 | 96.1 Ų | 96.1 | 91% | 0.906 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 148.8 | -179.2 | -62.3 | -175.2 | 74.6 | 0 | 0 | 112.4 | P188 | P188-M190 PolarHBondContact O-N 3.48Š|
| 191 | D | 59.7 | Low | 64.3 | Low | 124 Ų | 124 | 97.3 Ų | 97.3 | 66% | 0.663 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 138.6 | -179.1 | -67.5 | -36.9 | 0 | 0 | 0 | 112.8 | A193 | D191-A193 PolarHBondContact O-N 3.29Š|
| 192 | G | 56.1 | Low | 63.8 | Low | 32 Ų | 32 | 99 Ų | 99 | 33% | 0.33 | 58% | 0.584 | S | S | . | * | P | Polyproline II helix | trans | -61.2 | 135.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 193 | A | 60.5 | Low | 63.3 | Low | 88 Ų | 88 | 99.2 Ų | 99.2 | 73% | 0.727 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 145.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D191 | D191-A193 PolarHBondContact O-N 3.29Š|
| 194 | P | 55.4 | Low | 63 | Low | 116 Ų | 116 | 101 Ų | 101 | 75% | 0.753 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 140.8 | -178.7 | -28.3 | 35.2 | 0 | 0 | 0 | 113.3 | ||
| 195 | G | 52.2 | Low | 62.5 | Low | 31 Ų | 31 | 100.8 Ų | 100.8 | 32% | 0.32 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -56.3 | 141.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 196 | R | 60.2 | Low | 62.2 | Low | 234 Ų | 234 | 102.2 Ų | 102.2 | 88% | 0.883 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 147.8 | 176.3 | -70.5 | -174.5 | 175.5 | -171.6 | -1.3 | 110.5 | ||
| 197 | P | 60.5 | Low | 61.8 | Low | 116 Ų | 116 | 104.1 Ų | 104.1 | 75% | 0.753 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 142.1 | 173.2 | -26.6 | 34.9 | 0 | 0 | 0 | 111.9 | ||
| 198 | G | 57.6 | Low | 61.3 | Low | 32 Ų | 32 | 103.1 Ų | 103.1 | 33% | 0.33 | 65% | 0.647 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 154 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 199 | P | 56.5 | Low | 61.3 | Low | 126 Ų | 126 | 104.1 Ų | 104.1 | 82% | 0.818 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 150.3 | 175.6 | 28.1 | -34.9 | 0 | 0 | 0 | 111.1 | G201 | P199-G201 PolarHBondContact O-N 3.49Š|
| 200 | Q | 59.6 | Low | 61.1 | Low | 173 Ų | 173 | 105.3 Ų | 105.3 | 81% | 0.808 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 133.4 | 176.9 | -176.9 | 172.2 | 51.9 | 0 | 0 | 111 | ||
| 201 | G | 62.4 | Low | 60.7 | Low | 29 Ų | 29 | 105.9 Ų | 105.9 | 30% | 0.299 | 67% | 0.667 | S | S | . | * | P | Polyproline II helix | trans | -60.2 | 152.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | P199 | P199-G201 PolarHBondContact O-N 3.49Š|
| 202 | P | 63.2 | Low | 60.8 | Low | 118 Ų | 118 | 104.8 Ų | 104.8 | 77% | 0.766 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 153.2 | -178.5 | 27.2 | -35.3 | 0 | 0 | 0 | 112 | ||
| 203 | P | 67.6 | Low | 61 | Low | 130 Ų | 130 | 106.5 Ų | 106.5 | 84% | 0.844 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 140 | 175.7 | -25.1 | 34.5 | 0 | 0 | 0 | 112.5 | ||
| 204 | G | 65.1 | Low | 60.7 | Low | 45 Ų | 45 | 111.6 Ų | 111.6 | 46% | 0.464 | 70% | 0.701 | S | S | . | * | P | Polyproline II helix | trans | -60.1 | 154.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 205 | P | 65.1 | Low | 61.2 | Low | 115 Ų | 115 | 115.7 Ų | 115.7 | 75% | 0.747 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 156.7 | -178.3 | 26.8 | -35.1 | 0 | 0 | 0 | 112.1 | G207 | P205-G207 PolarHBondContact O-N 3.36Š|
| 206 | P | 67.1 | Low | 61.7 | Low | 125 Ų | 125 | 116.8 Ų | 116.8 | 81% | 0.812 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 138.8 | 173.8 | -23.6 | 34 | 0 | 0 | 0 | 111.9 | ||
| 207 | G | 61.4 | Low | 61.6 | Low | 54 Ų | 54 | 111.3 Ų | 111.3 | 56% | 0.557 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 149.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | P205 | P205-G207 PolarHBondContact O-N 3.36Š|
| 208 | I | 62 | Low | 61.9 | Low | 159 Ų | 159 | 112 Ų | 112 | 82% | 0.815 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 143.8 | 177.1 | 53.7 | 175.2 | 0 | 0 | 0 | 111.5 | G210 | I208-G210 PolarHBondContact O-N 3.45Š|
| 209 | P | 65.3 | Low | 62.1 | Low | 122 Ų | 122 | 113.9 Ų | 113.9 | 79% | 0.792 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 137.9 | 171.8 | -23.5 | 34.2 | 0 | 0 | 0 | 110.9 | ||
| 210 | G | 60 | Low | 61.8 | Low | 59 Ų | 59 | 116.8 Ų | 116.8 | 61% | 0.608 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 147 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I208 | I208-G210 PolarHBondContact O-N 3.45Š|
| 211 | E | 57.6 | Low | 61.7 | Low | 196 Ų | 196 | 114.7 Ų | 114.7 | 92% | 0.916 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 149.1 | 178.4 | -62.8 | -170 | 121.3 | 0 | 0 | 111.5 | G213 | E211-G213 PolarHBondContact O-N 2.93Š|
| 212 | A | 61.9 | Low | 61.5 | Low | 101 Ų | 101 | 116.5 Ų | 116.5 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 126.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | E214 | A212-E214 PolarHBondContact O-N 3.35Š|
| 213 | G | 60.1 | Low | 60.8 | Low | 67 Ų | 67 | 120.3 Ų | 120.3 | 69% | 0.691 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -56 | 138.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E211 | E211-G213 PolarHBondContact O-N 2.93Š|
| 214 | E | 55.1 | Low | 59.7 | Low | 195 Ų | 195 | 119.8 Ų | 119.8 | 91% | 0.911 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 142.5 | -178.2 | -67.2 | -169.4 | 107.5 | 0 | 0 | 111.7 | A212 G216 | A212-E214 PolarHBondContact O-N 3.35Å; E214-G216 PolarHBondContact O-N 2.98Å; E214-G216 VanDerWaalsContact O-N 3.16Å |
| 215 | K | 64.3 | Low | 59.1 | Low | 202 Ų | 202 | 125.1 Ų | 125.1 | 88% | 0.878 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 121 | 177.7 | 178.5 | -178.8 | -70.5 | 177.5 | 0 | 108.8 | ||
| 216 | G | 63.2 | Low | 58.3 | Low | 55 Ų | 55 | 126.1 Ų | 126.1 | 57% | 0.567 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 144.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E214 | E214-G216 PolarHBondContact O-N 2.98Å; E214-G216 VanDerWaalsContact O-N 3.16Å |
| 217 | P | 58 | Low | 57.7 | Low | 119 Ų | 119 | 127.3 Ų | 127.3 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 147.6 | -174.7 | 24 | -34 | 0 | 0 | 0 | 111.3 | G219 | P217-G219 PolarHBondContact O-N 3.41Š|
| 218 | P | 66.6 | Low | 57.5 | Low | 129 Ų | 129 | 129 Ų | 129 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 133 | 173.8 | -24.2 | 34 | 0 | 0 | 0 | 110.8 | ||
| 219 | G | 62.3 | Low | 57 | Low | 72 Ų | 72 | 127 Ų | 127 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 143.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | P217 | P217-G219 PolarHBondContact O-N 3.41Š|
| 220 | E | 50.8 | Low | 56.7 | Low | 188 Ų | 188 | 127.4 Ų | 127.4 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -55 | 138.2 | -177.3 | -74 | -177.2 | 89.1 | 0 | 0 | 111.8 | G222 | E220-G222 PolarHBondContact O-N 3.01Š|
| 221 | P | 57.3 | Low | 57 | Low | 128 Ų | 128 | 127.7 Ų | 127.7 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | trans | -58 | 112.2 | 178.5 | -25.5 | 34.8 | 0 | 0 | 0 | 112 | K223 | P221-K223 PolarHBondContact O-N 3.02Š| ||
| 222 | G | 57.6 | Low | 57.1 | Low | 68 Ų | 68 | 124.1 Ų | 124.1 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | -55.1 | 126.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | E220 V224 | E220-G222 PolarHBondContact O-N 3.01Å; G222-V224 PolarHBondContact O-N 2.87Å; G222-V224 VanDerWaalsContact O-N 3.12Å | ||
| 223 | K | 48.2 | Very low | 57.4 | Low | 197 Ų | 197 | 125.4 Ų | 125.4 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | trans | -51.9 | 117.7 | -176.9 | -173.4 | 178.5 | -178.3 | -178.7 | 0 | 110.6 | P221 I225 | P221-K223 PolarHBondContact O-N 3.02Å; K223-I225 PolarHBondContact O-N 3.37Å | ||
| 224 | V | 44.8 | Very low | 57.7 | Low | 120 Ų | 120 | 125.8 Ų | 125.8 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -62.4 | 103.7 | -170.4 | -178.2 | 0 | 0 | 0 | 0 | 111.7 | G222 | G222-V224 PolarHBondContact O-N 2.87Å; G222-V224 VanDerWaalsContact O-N 3.12Å | ||
| 225 | I | 52.4 | Low | 58.1 | Low | 156 Ų | 156 | 121.7 Ų | 121.7 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | trans | -127 | 82.6 | 158.9 | 46.8 | 170.9 | 0 | 0 | 0 | 108.3 | K223 | K223-I225 PolarHBondContact O-N 3.37Š| ||
| 226 | N | 49.4 | Very low | 58.3 | Low | 136 Ų | 136 | 117.9 Ų | 117.9 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -0.7 | 124.5 | -179 | -57.8 | -6.4 | 0 | 0 | 0 | 119.4 | ||
| 227 | T | 54.4 | Low | 58.3 | Low | 151 Ų | 151 | 118.4 Ų | 118.4 | 93% | 0.926 | 78% | 0.783 | S | S | * | * | trans | 88.9 | 42.3 | 164.7 | -20.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 228 | A | 56.1 | Low | 58.6 | Low | 89 Ų | 89 | 120.7 Ų | 120.7 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | -118 | 136.2 | 160.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 229 | P | 51.2 | Low | 58.7 | Low | 118 Ų | 118 | 120.4 Ų | 120.4 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 157.4 | -179.5 | 29.4 | -34.5 | 0 | 0 | 0 | 112.5 | ||
| 230 | P | 60.2 | Low | 58.7 | Low | 129 Ų | 129 | 119.3 Ų | 119.3 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 145.8 | 178.9 | -25.2 | 34.9 | 0 | 0 | 0 | 113.5 | ||
| 231 | G | 65 | Low | 59.4 | Low | 66 Ų | 66 | 116.4 Ų | 116.4 | 68% | 0.68 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 149.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 232 | P | 60.8 | Low | 59.9 | Low | 121 Ų | 121 | 121.4 Ų | 121.4 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 150.5 | -178 | 27.1 | -34.8 | 0 | 0 | 0 | 111.9 | ||
| 233 | P | 68.6 | Low | 60.3 | Low | 127 Ų | 127 | 119.9 Ų | 119.9 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 142.8 | 174.4 | -24.4 | 34.3 | 0 | 0 | 0 | 112.5 | ||
| 234 | G | 66.4 | Low | 61.2 | Low | 75 Ų | 75 | 116 Ų | 116 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 145.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 235 | S | 61.6 | Low | 62.4 | Low | 110 Ų | 110 | 116 Ų | 116 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 146.3 | 179 | 52.6 | 0 | 0 | 0 | 0 | 112 | ||
| 236 | P | 68.7 | Low | 63 | Low | 122 Ų | 122 | 110.5 Ų | 110.5 | 79% | 0.792 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 143.6 | 174.5 | -25.5 | 34.6 | 0 | 0 | 0 | 112.7 | ||
| 237 | G | 64.6 | Low | 63.8 | Low | 66 Ų | 66 | 109.5 Ų | 109.5 | 68% | 0.68 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 147.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 238 | L | 63.1 | Low | 64.6 | Low | 166 Ų | 166 | 107.6 Ų | 107.6 | 87% | 0.869 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 145.9 | 176.3 | -65.2 | 176.1 | 0 | 0 | 0 | 110.6 | G240 | L238-G240 PolarHBondContact O-N 2.87Š|
| 239 | P | 68.3 | Low | 64.9 | Low | 123 Ų | 123 | 105 Ų | 105 | 80% | 0.799 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 137.7 | 172.8 | -25.2 | 34.5 | 0 | 0 | 0 | 111.9 | ||
| 240 | G | 63.8 | Low | 65.4 | Low | 49 Ų | 49 | 108 Ų | 108 | 51% | 0.505 | 71% | 0.714 | S | S | . | * | P | Polyproline II helix | trans | -59.7 | 151.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L238 | L238-G240 PolarHBondContact O-N 2.87Š|
| 241 | P | 65.9 | Low | 65.7 | Low | 127 Ų | 127 | 109.6 Ų | 109.6 | 83% | 0.825 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 148.2 | -179.6 | 26.5 | -34.6 | 0 | 0 | 0 | 111.6 | G243 | P241-G243 PolarHBondContact O-N 2.89Š|
| 242 | R | 67.7 | Low | 65.3 | Low | 234 Ų | 234 | 108 Ų | 108 | 88% | 0.883 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 126.3 | 175.1 | 177.1 | 179.3 | 173.4 | 173.5 | 0.4 | 110 | ||
| 243 | G | 64.8 | Low | 65.2 | Low | 36 Ų | 36 | 110.1 Ų | 110.1 | 37% | 0.371 | 70% | 0.702 | S | S | . | * | P | Polyproline II helix | trans | -57.8 | 152.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | P241 | P241-G243 PolarHBondContact O-N 2.89Š|
| 244 | P | 67 | Low | 64.8 | Low | 116 Ų | 116 | 107.5 Ų | 107.5 | 75% | 0.753 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 155.4 | -177 | 26.3 | -35 | 0 | 0 | 0 | 112 | ||
| 245 | P | 70.5 | Confident | 64.4 | Low | 119 Ų | 119 | 105.5 Ų | 105.5 | 77% | 0.773 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 141.6 | 170.9 | -23.3 | 34 | 0 | 0 | 0 | 111.5 | ||
| 246 | G | 65.1 | Low | 64.2 | Low | 40 Ų | 40 | 105.7 Ų | 105.7 | 41% | 0.412 | 67% | 0.67 | S | S | . | * | P | Polyproline II helix | trans | -60.9 | 156.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 247 | P | 66.8 | Low | 64.1 | Low | 115 Ų | 115 | 104.8 Ų | 104.8 | 75% | 0.747 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 152.8 | 179.5 | 26.6 | -34.9 | 0 | 0 | 0 | 111.5 | ||
| 248 | P | 69.6 | Low | 63.8 | Low | 112 Ų | 112 | 103 Ų | 103 | 73% | 0.727 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 140.9 | 172.8 | -24.5 | 34.4 | 0 | 0 | 0 | 111.8 | ||
| 249 | G | 62.4 | Low | 63.6 | Low | 33 Ų | 33 | 100.5 Ų | 100.5 | 34% | 0.34 | 64% | 0.639 | S | S | . | * | P | Polyproline II helix | trans | -61 | 142.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 250 | H | 61.9 | Low | 63.6 | Low | 183 Ų | 183 | 99.1 Ų | 99.1 | 85% | 0.847 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 146.5 | 178.4 | -45.7 | -88 | 0 | 0 | 0 | 111.5 | G252 | H250-G252 PolarHBondContact O-N 3.26Š|
| 251 | D | 66.3 | Low | 63.8 | Low | 161 Ų | 161 | 98 Ų | 98 | 86% | 0.861 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 136.2 | 174.7 | -67.4 | -44.8 | 0 | 0 | 0 | 111 | I253 | D251-I253 PolarHBondContact O-N 3.17Š|
| 252 | G | 57.9 | Low | 63.8 | Low | 34 Ų | 34 | 97.2 Ų | 97.2 | 35% | 0.351 | 61% | 0.613 | S | S | . | * | P | Polyproline II helix | trans | -63.5 | 130.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | H250 A254 | H250-G252 PolarHBondContact O-N 3.26Å; G252-A254 PolarHBondContact O-N 2.71Å |
| 253 | I | 57.7 | Low | 64 | Low | 164 Ų | 164 | 91.2 Ų | 91.2 | 84% | 0.841 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 131.4 | 176.8 | -57.8 | 173 | 0 | 0 | 0 | 109 | D251 G255 | D251-I253 PolarHBondContact O-N 3.17Å; I253-G255 PolarHBondContact O-N 3.38Å |
| 254 | A | 60.1 | Low | 64.2 | Low | 73 Ų | 73 | 90.7 Ų | 90.7 | 60% | 0.603 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 133.6 | 178 | 0 | 0 | 0 | 0 | 0 | 110.5 | G252 | G252-A254 PolarHBondContact O-N 2.71Š|
| 255 | G | 58.4 | Low | 64.4 | Low | 33 Ų | 33 | 91.7 Ų | 91.7 | 34% | 0.34 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -58.1 | 146.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | I253 | I253-G255 PolarHBondContact O-N 3.38Š|
| 256 | P | 56.9 | Low | 64.5 | Low | 114 Ų | 114 | 90.3 Ų | 90.3 | 74% | 0.74 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 152.8 | 178.6 | 25.9 | -34.8 | 0 | 0 | 0 | 110.8 | ||
| 257 | P | 66.9 | Low | 64.8 | Low | 103 Ų | 103 | 88.5 Ų | 88.5 | 67% | 0.669 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 144.9 | 171.2 | -25.9 | 34.8 | 0 | 0 | 0 | 111.3 | ||
| 258 | G | 59.4 | Low | 65.2 | Low | 27 Ų | 27 | 89 Ų | 89 | 28% | 0.278 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -59.7 | 152.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 259 | P | 57.4 | Low | 65.5 | Low | 115 Ų | 115 | 90.5 Ų | 90.5 | 75% | 0.747 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 150.2 | 173.8 | 27 | -34.7 | 0 | 0 | 0 | 110.3 | ||
| 260 | P | 70.1 | Confident | 66 | Low | 94 Ų | 94 | 89 Ų | 89 | 61% | 0.61 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -52 | 148.4 | 173.3 | -27.3 | 35.5 | 0 | 0 | 0 | 111.7 | ||
| 261 | G | 66.7 | Low | 66.6 | Low | 25 Ų | 25 | 84 Ų | 84 | 26% | 0.258 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 154.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | G189 | G189-G261 PolarHBondContact O-N 3.19Š|
| 262 | P | 65.4 | Low | 67.2 | Low | 110 Ų | 110 | 81.9 Ų | 81.9 | 71% | 0.714 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 152.8 | 172.2 | 26.7 | -34.4 | 0 | 0 | 0 | 110.4 | ||
| 263 | P | 72 | Confident | 67.9 | Low | 108 Ų | 108 | 80.3 Ų | 80.3 | 70% | 0.701 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -53.2 | 143.4 | 170.7 | -24 | 34.1 | 0 | 0 | 0 | 110.8 | ||
| 264 | G | 69.8 | Low | 68.9 | Low | 25 Ų | 25 | 77 Ų | 77 | 26% | 0.258 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 150.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | G186 | G186-G264 PolarHBondContact O-N 3.04Š|
| 265 | D | 70.3 | Confident | 69.8 | Low | 138 Ų | 138 | 77.5 Ų | 77.5 | 74% | 0.738 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -54.9 | 148.8 | 178.3 | -70.1 | -56.2 | 0 | 0 | 0 | 111.3 | G186 G267 | G186-D265 PolarHBondContact N-O 3.45Å; D265-G267 PolarHBondContact O-N 3.27Å |
| 266 | P | 72.7 | Confident | 70.6 | Confident | 89 Ų | 89 | 76 Ų | 76 | 58% | 0.578 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 137.4 | 173.6 | -22.3 | 33.2 | 0 | 0 | 0 | 110.8 | Q182 | Q182-P266 VanDerWaalsContact NE2-CB 3.29Š|
| 267 | G | 72.3 | Confident | 71.6 | Confident | 3 Ų | 3 | 74.9 Ų | 74.9 | 3% | 0.031 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -57.4 | 149.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q182 G183 D265 | Q182-G267 WeakPolarHBondContact CG-O 3.3Å; Q182-G267 PolarHBondContact NE2-O 3.03Å; Q182-G267 VanDerWaalsContact NE2-O 3.08Å; G183-G267 PolarHBondContact O-N 3.47Å; D265-G267 PolarHBondContact O-N 3.27Å |
| 268 | D | 75.4 | Confident | 72.1 | Confident | 125 Ų | 125 | 74 Ų | 74 | 67% | 0.668 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -58 | 159.2 | 177.7 | -74.9 | -47.9 | 0 | 0 | 0 | 111.4 | G135 G183 G270 | G135-D268 VanDerWaalsContact CA-O 3.25Å; G135-D268 WeakPolarHBondContact CA-O 3.43Å; G183-D268 PolarHBondContact N-O 3.16Å; G183-D268 VanDerWaalsContact N-O 3.14Å; D268-G270 PolarHBondContact O-N 3.41Å |
| 269 | M | 75.8 | Confident | 73.1 | Confident | 143 Ų | 143 | 72.9 Ų | 72.9 | 70% | 0.704 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -66 | 134.1 | 167.2 | -177.8 | 169.8 | 59.6 | 0 | 0 | 109.8 | P179 A271 | P179-M269 HydrophobicContact CB-CG 4.17Å; P179-M269 HydrophobicContact CB-SD 4.05Å; M269-A271 PolarHBondContact O-N 3.22Å |
| 270 | G | 72.5 | Confident | 74.1 | Confident | 3 Ų | 3 | 71.6 Ų | 71.6 | 3% | 0.031 | 45% | 0.446 | C | S | . | . | B | Isolated β-bridge | trans | -58.2 | 135.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A133 G180 D268 | A133-G270 WeakPolarHBondContact O-CA 3.18Å; G180-G270 PolarHBondContact N-O 3.42Å; G180-G270 PolarHBondContact O-N 3.48Å; D268-G270 PolarHBondContact O-N 3.41Å |
| 271 | A | 74.3 | Confident | 74.5 | Confident | 78 Ų | 78 | 73.1 Ų | 73.1 | 65% | 0.645 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -54.9 | 152.4 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | G132 M269 G273 | G132-A271 VanDerWaalsContact CA-O 3.24Å; G132-A271 WeakPolarHBondContact CA-O 3.46Å; M269-A271 PolarHBondContact O-N 3.22Å; A271-G273 PolarHBondContact O-N 2.86Å |
| 272 | E | 78.1 | Confident | 75 | Confident | 115 Ų | 115 | 72 Ų | 72 | 54% | 0.537 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -51.9 | 139.3 | 175.1 | -69.5 | -176.7 | 142.6 | 0 | 0 | 111.6 | K176 P179 | K176-E272 HydrophobicContact CD-CB 4.33Å; K176-E272 WeakPolarHBondContact CD-OE2 3.34Å; K176-E272 WeakPolarHBondContact CE-OE2 3.42Å; K176-E272 IonicContact NZ-OE2 2.75Å; K176-E272 PolarHBondContact NZ-OE2 2.93Å; P179-E272 HydrophobicContact CG-CG 4.44Å |
| 273 | G | 74.4 | Confident | 75.6 | Confident | 2 Ų | 2 | 70.4 Ų | 70.4 | 2% | 0.021 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 148 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R130 G177 A271 | R130-G273 WeakPolarHBondContact O-CA 3.33Å; G177-G273 PolarHBondContact N-O 2.91Å; G177-G273 PolarHBondContact O-N 2.99Å; A271-G273 PolarHBondContact O-N 2.86Å |
| 274 | P | 76.9 | Confident | 75.7 | Confident | 93 Ų | 93 | 69 Ų | 69 | 60% | 0.604 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 148.3 | 176.6 | 26.3 | -34.8 | 0 | 0 | 0 | 110.4 | G129 G276 | G129-P274 WeakPolarHBondContact CA-O 3.22Å; P274-G276 PolarHBondContact O-N 3.49Å |
| 275 | V | 79.2 | Confident | 75.7 | Confident | 84 Ų | 84 | 68 Ų | 68 | 51% | 0.509 | 40% | 0.398 | S | S | . | . | B | Isolated β-bridge | trans | -51.9 | 134.1 | 174.9 | -176.5 | 0 | 0 | 0 | 0 | 109.5 | P173 G174 K176 | P173-V275 HydrophobicContact CB-CG1 3.41Å; P173-V275 VanDerWaalsContact CB-CG1 3.41Å; G174-V275 WeakPolarHBondContact O-CG1 3.48Å; K176-V275 HydrophobicContact CG-CG2 3.86Å |
| 276 | G | 76.4 | Confident | 75.6 | Confident | 2 Ų | 2 | 69.7 Ų | 69.7 | 2% | 0.021 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 146.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R127 P173 G174 P175 P274 | R127-G276 WeakPolarHBondContact O-CA 3.08Å; P173-G276 WeakPolarHBondContact CB-O 3.42Å; G174-G276 PolarHBondContact N-O 3.22Å; G174-G276 PolarHBondContact O-N 3.45Å; P175-G276 PolarHBondContact O-N 3.37Å; P274-G276 PolarHBondContact O-N 3.49Å |
| 277 | P | 77.1 | Confident | 75.2 | Confident | 90 Ų | 90 | 70.8 Ų | 70.8 | 58% | 0.584 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 148.1 | 178.7 | 26.5 | -34.8 | 0 | 0 | 0 | 110.3 | G126 G279 | G126-P277 WeakPolarHBondContact CA-O 2.99Å; P277-G279 PolarHBondContact O-N 2.93Å |
| 278 | P | 78.7 | Confident | 74.4 | Confident | 85 Ų | 85 | 72 Ų | 72 | 55% | 0.552 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -48.7 | 141.6 | 175.3 | -28.3 | 35.3 | 0 | 0 | 0 | 112.4 | P170 | P170-P278 HydrophobicContact CB-CB 4.03Å |
| 279 | G | 78.6 | Confident | 73.4 | Confident | 3 Ų | 3 | 69.3 Ų | 69.3 | 3% | 0.031 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 153.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P124 G171 P277 R281 | P124-G279 WeakPolarHBondContact O-CA 3.29Å; G171-G279 PolarHBondContact N-O 3.4Å; G171-G279 PolarHBondContact O-N 3.35Å; G171-G279 VanDerWaalsContact O-N 3.08Å; P277-G279 PolarHBondContact O-N 2.93Å; G279-R281 PolarHBondContact O-N 2.88Å |
| 280 | P | 79.1 | Confident | 72.3 | Confident | 89 Ų | 89 | 66.1 Ų | 66.1 | 58% | 0.578 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 140.7 | 175.4 | 26.9 | -34.9 | 0 | 0 | 0 | 109 | G123 P124 G282 | G123-P280 VanDerWaalsContact CA-O 3.32Å; G123-P280 WeakPolarHBondContact CA-O 3.28Å; P124-P280 HydrophobicContact CG-CG 3.98Å; P280-G282 PolarHBondContact O-N 3.34Å |
| 281 | R | 79.9 | Confident | 71.5 | Confident | 125 Ų | 125 | 71.7 Ų | 71.7 | 47% | 0.472 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 129.8 | -174.8 | -157.7 | 174.8 | 165.9 | -165.8 | -5.4 | 110 | M167 G168 G279 | M167-R281 VanDerWaalsContact C-NE 3.34Å; M167-R281 HydrophobicContact CB-CG 4.16Å; M167-R281 HydrophobicContact CE-CB 3.88Å; M167-R281 HydrophobicContact CE-CG 4.16Å; M167-R281 HydrophobicContact CG-CB 4.01Å; M167-R281 HydrophobicContact CG-CG 3.77Å; M167-R281 PolarHBondContact O-NE 3.27Å; M167-R281 PolarHBondContact O-NH2 3.47Å; M167-R281 HydrophobicContact SD-CB 4.29Å; G168-R281 WeakPolarHBondContact O-CD 3.29Å; G168-R281 WeakPolarHBondContact O-CG 3.16Å; G168-R281 PolarHBondContact O-NE 2.98Å; G279-R281 PolarHBondContact O-N 2.88Å |
| 282 | G | 77.1 | Confident | 70.4 | Confident | 1 Ų | 1 | 76 Ų | 76 | 1% | 0.01 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 156.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P121 M167 G168 P280 | P121-G282 WeakPolarHBondContact O-CA 3.23Å; M167-G282 WeakPolarHBondContact CG-O 3.41Å; G168-G282 PolarHBondContact N-O 2.9Å; P280-G282 PolarHBondContact O-N 3.34Å |
| 283 | P | 76.6 | Confident | 68.7 | Low | 78 Ų | 78 | 74.5 Ų | 74.5 | 51% | 0.506 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 156 | -169.4 | 22.9 | -34.3 | 0 | 0 | 0 | 112.7 | G120 P121 G285 | G120-P283 WeakPolarHBondContact CA-O 3.44Å; P121-P283 HydrophobicContact CG-CG 4.35Å; P283-G285 PolarHBondContact O-N 3.42Å |
| 284 | P | 75.3 | Confident | 67.4 | Low | 78 Ų | 78 | 79.6 Ų | 79.6 | 51% | 0.506 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -48.4 | 138.9 | 174.3 | -28 | 35.9 | 0 | 0 | 0 | 112.5 | P164 | P164-P284 HydrophobicContact CB-CB 3.94Š|
| 285 | G | 69.5 | Low | 65.9 | Low | 4 Ų | 4 | 80.3 Ų | 80.3 | 4% | 0.041 | 48% | 0.475 | C | S | . | . | B | Isolated β-bridge | trans | -60.5 | 155.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | P118 G165 P283 | P118-G285 WeakPolarHBondContact O-CA 3.32Å; G165-G285 PolarHBondContact N-O 2.98Å; G165-G285 PolarHBondContact O-N 2.89Å; P283-G285 PolarHBondContact O-N 3.42Å |
| 286 | K | 67.6 | Low | 64.3 | Low | 173 Ų | 173 | 81.2 Ų | 81.2 | 75% | 0.752 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -53 | 142.6 | 176.2 | -65.7 | -173.2 | 179.5 | -176.9 | 0 | 109.3 | G117 G288 | G117-K286 WeakPolarHBondContact CA-O 3.32Å; K286-G288 PolarHBondContact O-N 2.73Å |
| 287 | P | 63.6 | Low | 62.5 | Low | 112 Ų | 112 | 92.9 Ų | 92.9 | 73% | 0.727 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -50.5 | 135.7 | 175.4 | -27.3 | 35.3 | 0 | 0 | 0 | 111 | ||
| 288 | G | 56.8 | Low | 60.8 | Low | 28 Ų | 28 | 93.8 Ų | 93.8 | 29% | 0.289 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 143.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q115 K286 C290 | Q115-G288 WeakPolarHBondContact O-CA 3.39Å; K286-G288 PolarHBondContact O-N 2.73Å; G288-C290 PolarHBondContact O-N 3.3Å |
| 289 | S | 55 | Low | 59.1 | Low | 70 Ų | 70 | 99.3 Ų | 99.3 | 49% | 0.49 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -75.6 | 122.5 | 173.3 | 48.6 | 0 | 0 | 0 | 0 | 110 | D291 | S289-D291 VanDerWaalsContact CB-OD2 3.26Å; S289-D291 WeakPolarHBondContact CB-OD2 3.47Å; S289-D291 PolarHBondContact O-N 3.39Å; S289-D291 VanDerWaalsContact O-N 3.08Å; S289-D291 PolarHBondContact OG-OD2 2.96Å |
| 290 | C | 51.4 | Low | 57.3 | Low | 75 Ų | 75 | 103.9 Ų | 103.9 | 51% | 0.507 | 58% | 0.58 | S | S | . | * | trans | -83.3 | 66.7 | 171.1 | -60.5 | 0 | 0 | 0 | 0 | 109.4 | G288 H292 C293 | G288-C290 PolarHBondContact O-N 3.3Å; C290-H292 PolarHBondContact O-N 3.1Å; C290-C293 HydrophobicContact CB-CB 4.2Å; C290-C293 PolarHBondContact O-N 2.9Å | ||
| 291 | D | 55.2 | Low | 55.3 | Low | 120 Ų | 120 | 103.4 Ų | 103.4 | 64% | 0.642 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -11 | -171.5 | -67.6 | -59 | 0 | 0 | 0 | 114.1 | S289 | S289-D291 VanDerWaalsContact CB-OD2 3.26Å; S289-D291 WeakPolarHBondContact CB-OD2 3.47Å; S289-D291 PolarHBondContact O-N 3.39Å; S289-D291 VanDerWaalsContact O-N 3.08Å; S289-D291 PolarHBondContact OG-OD2 2.96Å |
| 292 | H | 51.4 | Low | 53.4 | Low | 169 Ų | 169 | 106 Ų | 106 | 78% | 0.782 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.7 | 37 | 177.9 | -74.1 | 25.3 | 0 | 0 | 0 | 112.9 | C290 P294 | C290-H292 PolarHBondContact O-N 3.1Å; H292-P294 VanDerWaalsContact O-CD 3.22Å; H292-P294 WeakPolarHBondContact O-CD 3.38Å |
| 293 | C | 42.5 | Very low | 51.6 | Low | 84 Ų | 84 | 112.6 Ų | 112.6 | 57% | 0.568 | 64% | 0.637 | S | S | * | * | trans | -98.1 | 92.8 | 159.6 | -156.2 | 0 | 0 | 0 | 0 | 108.6 | C290 | C290-C293 HydrophobicContact CB-CB 4.2Å; C290-C293 PolarHBondContact O-N 2.9Å | ||
| 294 | P | 48.1 | Very low | 49.9 | Very low | 108 Ų | 108 | 115.6 Ų | 115.6 | 70% | 0.701 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 129.4 | 168.9 | 25.2 | -32.7 | 0 | 0 | 0 | 107.3 | H292 | H292-P294 VanDerWaalsContact O-CD 3.22Å; H292-P294 WeakPolarHBondContact O-CD 3.38Å |
| 295 | P | 45.6 | Very low | 48 | Very low | 109 Ų | 109 | 114.1 Ų | 114.1 | 71% | 0.708 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -59 | 146.3 | -171.5 | 23.9 | -33.7 | 0 | 0 | 0 | 109.8 | R297 | P295-R297 PolarHBondContact O-N 2.98Š|
| 296 | P | 44.1 | Very low | 46.6 | Very low | 103 Ų | 103 | 123.6 Ų | 123.6 | 67% | 0.669 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 136.2 | 174.8 | 24.7 | -33.8 | 0 | 0 | 0 | 108.3 | T298 | P296-T298 PolarHBondContact O-N 3.25Š|
| 297 | R | 40 | Very low | 45.5 | Very low | 246 Ų | 246 | 127 Ų | 127 | 93% | 0.928 | 70% | 0.702 | S | S | * | * | trans | -62 | 87.3 | 176.6 | -71.6 | -176.8 | -180 | 178.2 | -0 | 109.1 | P295 E299 | P295-R297 PolarHBondContact O-N 2.98Å; R297-E299 PolarHBondContact O-N 2.65Å | ||
| 298 | T | 41.8 | Very low | 44.4 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 68% | 0.675 | 71% | 0.705 | S | S | * | * | trans | -79.7 | 111.9 | 169.1 | 44.1 | 0 | 0 | 0 | 0 | 107.5 | P296 S300 | P296-T298 PolarHBondContact O-N 3.25Å; T298-S300 PolarHBondContact O-N 3.04Å | ||
| 299 | E | 42.9 | Very low | 43.3 | Very low | 201 Ų | 201 | 138.6 Ų | 138.6 | 94% | 0.939 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -67.7 | 78.6 | 176.7 | -63.8 | -177.8 | 124.8 | 0 | 0 | 110.8 | R297 | R297-E299 PolarHBondContact O-N 2.65Š|
| 300 | S | 40.3 | Very low | 42.7 | Very low | 98 Ų | 98 | 146.8 Ų | 146.8 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | trans | -165.3 | 49.4 | 173.2 | 46.1 | 0 | 0 | 0 | 0 | 112.2 | T298 F302 | T298-S300 PolarHBondContact O-N 3.04Å; S300-F302 VanDerWaalsContact C-N 3.32Å; S300-F302 PolarHBondContact O-N 2.92Å | ||
| 301 | G | 36 | Very low | 42.3 | Very low | 79 Ų | 79 | 150.4 Ų | 150.4 | 81% | 0.814 | 78% | 0.784 | S | S | * | * | trans | -71.2 | 85.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 302 | F | 40.5 | Very low | 41.6 | Very low | 180 Ų | 180 | 151.9 Ų | 151.9 | 79% | 0.789 | 79% | 0.791 | S | S | * | * | trans | -162.9 | 83.4 | 134.2 | -136.7 | -108.5 | 0 | 0 | 0 | 112.6 | S300 | S300-F302 VanDerWaalsContact C-N 3.32Å; S300-F302 PolarHBondContact O-N 2.92Å | ||
| 303 | E | 39.4 | Very low | 41.1 | Very low | 139 Ų | 139 | 151 Ų | 151 | 65% | 0.65 | 79% | 0.791 | S | S | * | * | 60.1 | 76 | 118.1 | -153 | 175.7 | 144.7 | 0 | 0 | 118.6 | G305 | E303-G305 PolarHBondContact O-N 3.3Š| |||
| 304 | S | 40.4 | Very low | 41 | Very low | 142 Ų | 142 | 154.9 Ų | 154.9 | 99% | 0.993 | 81% | 0.805 | S | S | * | * | trans | -74 | 65.6 | 158.4 | -163.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 305 | G | 37.1 | Very low | 40.5 | Very low | 46 Ų | 46 | 157.9 Ų | 157.9 | 47% | 0.474 | 81% | 0.811 | S | S | . | * | trans | -99.4 | -9.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | E303 R307 | E303-G305 PolarHBondContact O-N 3.3Å; G305-R307 VanDerWaalsContact C-N 3.27Å; G305-R307 PolarHBondContact O-N 2.92Å | ||
| 306 | Y | 39.3 | Very low | 40.2 | Very low | 204 Ų | 204 | 161.1 Ų | 161.1 | 80% | 0.8 | 82% | 0.818 | S | S | * | * | trans | -80.6 | 63.1 | -172.6 | -86.1 | -82.4 | 0 | 0 | 0 | 114.4 | K308 | Y306-K308 HydrophobicContact CD1-CG 4.33Å; Y306-K308 PolarHBondContact O-N 2.82Å | ||
| 307 | R | 43.4 | Very low | 39.9 | Very low | 244 Ų | 244 | 165.3 Ų | 165.3 | 92% | 0.921 | 83% | 0.829 | S | S | * | * | trans | -77.6 | 71.3 | 163.6 | -160.4 | 178.9 | -165.7 | -175.5 | 5.4 | 109.9 | G305 K309 | G305-R307 VanDerWaalsContact C-N 3.27Å; G305-R307 PolarHBondContact O-N 2.92Å; R307-K309 PolarHBondContact O-N 3.03Å; R307-K309 VanDerWaalsContact O-N 3.1Å | ||
| 308 | K | 41.5 | Very low | 39.9 | Very low | 178 Ų | 178 | 159.1 Ų | 159.1 | 77% | 0.774 | 82% | 0.821 | S | S | * | * | trans | -60.1 | 113.1 | 175.7 | -79.5 | -172.4 | 175.4 | -179.5 | 0 | 110 | Y306 | Y306-K308 HydrophobicContact CD1-CG 4.33Å; Y306-K308 PolarHBondContact O-N 2.82Å | ||
| 309 | K | 34.3 | Very low | 39.7 | Very low | 205 Ų | 205 | 163.2 Ų | 163.2 | 89% | 0.891 | 83% | 0.833 | S | S | * | * | trans | -72.4 | 121.2 | 153.5 | -77.5 | -175.9 | 173.1 | -175.3 | 0 | 108 | R307 | R307-K309 PolarHBondContact O-N 3.03Å; R307-K309 VanDerWaalsContact O-N 3.1Å | ||
| 310 | L | 41.9 | Very low | 39.5 | Very low | 242 Ų | 242 | 159.7 Ų | 159.7 | 100% | 1.267 | 82% | 0.824 | S | S | * | * | trans | -161.8 | 0 | 149.4 | -104.4 | 163.2 | 0 | 0 | 0 | 106.7 |
Retrieved 310 of 310 residues in 121.3 ms
(Link to these results)