| 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 | I | 55.3 | Low | 59.8 | Low | 200 Ų | 200 | 109.3 Ų | 109.3 | 100% | 1.026 | 61% | 0.614 | S | S | * | * | 0 | -45.6 | 0 | -65.4 | 173.3 | 0 | 0 | 0 | 111.7 | S3 K4 | I1-S3 VanDerWaalsContact C-N 3.35Å; I1-S3 PolarHBondContact O-N 3.12Å; I1-S3 VanDerWaalsContact O-N 3.15Å; I1-K4 PolarHBondContact O-N 3.31Å; I1-K4 VanDerWaalsContact O-N 3.15Å | |||
| 2 | S | 52.8 | Low | 60.8 | Low | 96 Ų | 96 | 105.1 Ų | 105.1 | 67% | 0.671 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -47.3 | -44.5 | -176 | -46.3 | 0 | 0 | 0 | 0 | 116.2 | K4 S5 S6 | S2-K4 VanDerWaalsContact C-N 3.29Å; S2-K4 PolarHBondContact O-N 3.47Å; S2-S5 PolarHBondContact O-N 3.05Å; S2-S5 PolarHBondContact O-OG 3.23Å; S2-S5 VanDerWaalsContact O-OG 3.05Å; S2-S6 PolarHBondContact O-N 3.19Å |
| 3 | S | 53.3 | Low | 61.6 | Low | 110 Ų | 110 | 109.8 Ų | 109.8 | 77% | 0.769 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -60.7 | -32.8 | -176.5 | -35.8 | 0 | 0 | 0 | 0 | 113.7 | I1 G7 | I1-S3 VanDerWaalsContact C-N 3.35Å; I1-S3 PolarHBondContact O-N 3.12Å; I1-S3 VanDerWaalsContact O-N 3.15Å; S3-G7 PolarHBondContact O-N 3.06Å |
| 4 | K | 55.3 | Low | 62.5 | Low | 182 Ų | 182 | 113.7 Ų | 113.7 | 79% | 0.791 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -70.9 | -36.1 | 175.3 | -73.6 | -171 | 174.1 | -174.4 | 0 | 112.1 | I1 S2 S6 V8 | I1-K4 PolarHBondContact O-N 3.31Å; I1-K4 VanDerWaalsContact O-N 3.15Å; S2-K4 VanDerWaalsContact C-N 3.29Å; S2-K4 PolarHBondContact O-N 3.47Å; K4-S6 VanDerWaalsContact C-N 3.33Å; K4-S6 PolarHBondContact O-N 3.27Å; K4-V8 WeakPolarHBondContact O-CG2 3.09Å; K4-V8 PolarHBondContact O-N 3.4Å |
| 5 | S | 56.2 | Low | 63.4 | Low | 55 Ų | 55 | 111.3 Ų | 111.3 | 39% | 0.385 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -72.9 | -24.6 | 178.8 | 85.9 | 0 | 0 | 0 | 0 | 113.7 | S2 R9 | S2-S5 PolarHBondContact O-N 3.05Å; S2-S5 PolarHBondContact O-OG 3.23Å; S2-S5 VanDerWaalsContact O-OG 3.05Å; S5-R9 PolarHBondContact O-N 3.31Å |
| 6 | S | 57.7 | Low | 64.4 | Low | 72 Ų | 72 | 109.1 Ų | 109.1 | 50% | 0.503 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -71.2 | -48.6 | 174.5 | -169.3 | 0 | 0 | 0 | 0 | 110.6 | S2 K4 V8 R9 T10 | S2-S6 PolarHBondContact O-N 3.19Å; K4-S6 VanDerWaalsContact C-N 3.33Å; K4-S6 PolarHBondContact O-N 3.27Å; S6-V8 PolarHBondContact O-N 3.48Å; S6-R9 PolarHBondContact O-N 3.31Å; S6-R9 VanDerWaalsContact O-N 3.15Å; S6-T10 PolarHBondContact O-N 3.39Å; S6-T10 PolarHBondContact O-OG1 3.46Å |
| 7 | G | 60.3 | Low | 65.4 | Low | 29 Ų | 29 | 112.7 Ų | 112.7 | 30% | 0.299 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -59.8 | -40 | 178 | 0 | 0 | 0 | 0 | 0 | 114 | S3 R9 T10 I11 | S3-G7 PolarHBondContact O-N 3.06Å; G7-R9 PolarHBondContact O-N 3.14Å; G7-T10 WeakPolarHBondContact CA-OG1 3.25Å; G7-T10 PolarHBondContact O-N 3.48Å; G7-T10 PolarHBondContact O-OG1 3.06Å; G7-I11 WeakPolarHBondContact O-CB 3.46Å; G7-I11 WeakPolarHBondContact O-CD1 3.23Å; G7-I11 VanDerWaalsContact O-CG1 3.24Å; G7-I11 WeakPolarHBondContact O-CG1 3.35Å; G7-I11 PolarHBondContact O-N 3.43Å |
| 8 | V | 64.3 | Low | 66.6 | Low | 102 Ų | 102 | 111.7 Ų | 111.7 | 62% | 0.618 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.2 | -38.7 | 176.1 | 174.8 | 0 | 0 | 0 | 0 | 111.6 | K4 S6 I11 S12 | K4-V8 WeakPolarHBondContact O-CG2 3.09Å; K4-V8 PolarHBondContact O-N 3.4Å; S6-V8 PolarHBondContact O-N 3.48Å; V8-I11 PolarHBondContact O-N 3.45Å; V8-S12 PolarHBondContact O-N 3.49Å |
| 9 | R | 64 | Low | 67.7 | Low | 166 Ų | 166 | 112.8 Ų | 112.8 | 63% | 0.626 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -70.4 | -32.5 | 177.2 | -96.6 | -176.2 | -79.4 | -162.9 | -5.9 | 113.6 | S5 S6 G7 R13 | S5-R9 PolarHBondContact O-N 3.31Å; S6-R9 PolarHBondContact O-N 3.31Å; S6-R9 VanDerWaalsContact O-N 3.15Å; G7-R9 PolarHBondContact O-N 3.14Å; R9-R13 WeakPolarHBondContact O-CB 3.27Å; R9-R13 WeakPolarHBondContact O-CG 3.35Å; R9-R13 PolarHBondContact O-N 3.3Å |
| 10 | T | 67.3 | Low | 68.8 | Low | 86 Ų | 86 | 111.2 Ų | 111.2 | 53% | 0.528 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -75.7 | -33.5 | 174.2 | 49.5 | 0 | 0 | 0 | 0 | 112.6 | S6 G7 R14 | S6-T10 PolarHBondContact O-N 3.39Å; S6-T10 PolarHBondContact O-OG1 3.46Å; G7-T10 WeakPolarHBondContact CA-OG1 3.25Å; G7-T10 PolarHBondContact O-N 3.48Å; G7-T10 PolarHBondContact O-OG1 3.06Å; T10-R14 WeakPolarHBondContact O-CB 3.35Å; T10-R14 PolarHBondContact O-N 3.48Å; T10-R14 VanDerWaalsContact O-N 3.15Å |
| 11 | I | 70.8 | Confident | 69.9 | Low | 104 Ų | 104 | 111 Ų | 111 | 53% | 0.533 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.6 | -47.3 | 172.9 | -67.4 | 164 | 0 | 0 | 0 | 110.8 | G7 V8 R13 R14 N15 | G7-I11 WeakPolarHBondContact O-CB 3.46Å; G7-I11 WeakPolarHBondContact O-CD1 3.23Å; G7-I11 VanDerWaalsContact O-CG1 3.24Å; G7-I11 WeakPolarHBondContact O-CG1 3.35Å; G7-I11 PolarHBondContact O-N 3.43Å; V8-I11 PolarHBondContact O-N 3.45Å; I11-R13 PolarHBondContact O-N 2.92Å; I11-R14 WeakPolarHBondContact O-CB 3.41Å; I11-R14 PolarHBondContact O-N 2.99Å; I11-N15 PolarHBondContact O-N 3.33Å; I11-N15 PolarHBondContact O-OD1 3.49Å |
| 12 | S | 72.8 | Confident | 71.6 | Confident | 59 Ų | 59 | 104.2 Ų | 104.2 | 41% | 0.413 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -55.5 | -53.6 | 176.2 | -165.2 | 0 | 0 | 0 | 0 | 111.1 | V8 R14 N15 D16 | V8-S12 PolarHBondContact O-N 3.49Å; S12-R14 PolarHBondContact O-N 3.17Å; S12-N15 PolarHBondContact O-N 2.98Å; S12-D16 VanDerWaalsContact C-OD2 3.31Å; S12-D16 PolarHBondContact O-N 3.08Å; S12-D16 VanDerWaalsContact O-OD2 3.05Å |
| 13 | R | 70.8 | Confident | 73.4 | Confident | 167 Ų | 167 | 102.8 Ų | 102.8 | 63% | 0.63 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.2 | -19.9 | 177.4 | -76.2 | 178.5 | 170.5 | -173.9 | -4.1 | 114.5 | R9 I11 D16 R17 | R9-R13 WeakPolarHBondContact O-CB 3.27Å; R9-R13 WeakPolarHBondContact O-CG 3.35Å; R9-R13 PolarHBondContact O-N 3.3Å; I11-R13 PolarHBondContact O-N 2.92Å; R13-D16 WeakPolarHBondContact CA-OD2 3.48Å; R13-R17 VanDerWaalsContact O-CD 3.24Å; R13-R17 WeakPolarHBondContact O-CD 3.34Å; R13-R17 WeakPolarHBondContact O-CG 3.46Å; R13-R17 PolarHBondContact O-N 2.94Å |
| 14 | R | 74.1 | Confident | 75.4 | Confident | 164 Ų | 164 | 102 Ų | 102 | 62% | 0.619 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -81.9 | -46.8 | 174.8 | -170.7 | 178.8 | -174.6 | 127.2 | 4.4 | 110.5 | T10 I11 S12 D16 R17 E18 | T10-R14 WeakPolarHBondContact O-CB 3.35Å; T10-R14 PolarHBondContact O-N 3.48Å; T10-R14 VanDerWaalsContact O-N 3.15Å; I11-R14 WeakPolarHBondContact O-CB 3.41Å; I11-R14 PolarHBondContact O-N 2.99Å; S12-R14 PolarHBondContact O-N 3.17Å; R14-D16 VanDerWaalsContact C-N 3.33Å; R14-D16 PolarHBondContact O-N 3.19Å; R14-R17 WeakPolarHBondContact O-CB 3.46Å; R14-R17 PolarHBondContact O-N 3.43Å; R14-E18 VanDerWaalsContact CG-OE1 3.28Å; R14-E18 WeakPolarHBondContact CG-OE1 3.35Å; R14-E18 IonicContact CZ-OE1 2.76Å; R14-E18 IonicContact NE-OE1 3.99Å; R14-E18 PolarHBondContact NE-OE1 3.38Å; R14-E18 WeakPolarHBondContact O-CG 3.4Å; R14-E18 PolarHBondContact O-N 3.47Å |
| 15 | N | 76.2 | Confident | 77.2 | Confident | 78 Ų | 78 | 100.2 Ų | 100.2 | 42% | 0.417 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.9 | -42.6 | 173.5 | -68.1 | 10.7 | 0 | 0 | 0 | 111.6 | I11 S12 R17 E18 Q19 | I11-N15 PolarHBondContact O-N 3.33Å; I11-N15 PolarHBondContact O-OD1 3.49Å; S12-N15 PolarHBondContact O-N 2.98Å; N15-R17 VanDerWaalsContact C-N 3.28Å; N15-R17 PolarHBondContact O-N 3.38Å; N15-E18 PolarHBondContact O-N 3Å; N15-Q19 WeakPolarHBondContact O-CB 3.36Å; N15-Q19 WeakPolarHBondContact O-CG 3.39Å; N15-Q19 PolarHBondContact O-N 3.37Å |
| 16 | D | 79.8 | Confident | 79 | Confident | 76 Ų | 76 | 100.4 Ų | 100.4 | 41% | 0.406 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.7 | -42 | 176.8 | -54.6 | -30.4 | 0 | 0 | 0 | 110.7 | S12 R13 R14 Q19 T20 | S12-D16 VanDerWaalsContact C-OD2 3.31Å; S12-D16 PolarHBondContact O-N 3.08Å; S12-D16 VanDerWaalsContact O-OD2 3.05Å; R13-D16 WeakPolarHBondContact CA-OD2 3.48Å; R14-D16 VanDerWaalsContact C-N 3.33Å; R14-D16 PolarHBondContact O-N 3.19Å; D16-Q19 PolarHBondContact O-N 2.94Å; D16-T20 WeakPolarHBondContact O-CG2 3.23Å; D16-T20 PolarHBondContact O-N 3.04Å; D16-T20 PolarHBondContact O-OG1 2.83Å |
| 17 | R | 80.6 | Confident | 80.8 | Confident | 170 Ų | 170 | 101.2 Ų | 101.2 | 64% | 0.642 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.9 | -45.3 | 176.1 | -74 | 168.9 | -178.3 | 176 | -3.8 | 112.2 | R13 R14 N15 Q19 T20 L21 | R13-R17 VanDerWaalsContact O-CD 3.24Å; R13-R17 WeakPolarHBondContact O-CD 3.34Å; R13-R17 WeakPolarHBondContact O-CG 3.46Å; R13-R17 PolarHBondContact O-N 2.94Å; R14-R17 WeakPolarHBondContact O-CB 3.46Å; R14-R17 PolarHBondContact O-N 3.43Å; N15-R17 VanDerWaalsContact C-N 3.28Å; N15-R17 PolarHBondContact O-N 3.38Å; R17-Q19 VanDerWaalsContact C-N 3.27Å; R17-Q19 PolarHBondContact O-N 3.47Å; R17-T20 WeakPolarHBondContact CA-OG1 3.35Å; R17-T20 PolarHBondContact O-N 3.47Å; R17-T20 VanDerWaalsContact O-N 3.17Å; R17-T20 PolarHBondContact O-OG1 3.26Å; R17-L21 WeakPolarHBondContact O-CG 3.38Å; R17-L21 PolarHBondContact O-N 3.24Å |
| 18 | E | 86.6 | Confident | 82.4 | Confident | 95 Ų | 95 | 105.6 Ų | 105.6 | 44% | 0.444 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.3 | -35.6 | 177.8 | -72.1 | 167.9 | -170.9 | 0 | 0 | 110.9 | R14 N15 L21 A22 | R14-E18 VanDerWaalsContact CG-OE1 3.28Å; R14-E18 WeakPolarHBondContact CG-OE1 3.35Å; R14-E18 IonicContact CZ-OE1 2.76Å; R14-E18 IonicContact NE-OE1 3.99Å; R14-E18 PolarHBondContact NE-OE1 3.38Å; R14-E18 WeakPolarHBondContact O-CG 3.4Å; R14-E18 PolarHBondContact O-N 3.47Å; N15-E18 PolarHBondContact O-N 3Å; E18-L21 PolarHBondContact O-N 3.49Å; E18-A22 WeakPolarHBondContact O-CB 3.33Å; E18-A22 PolarHBondContact O-N 3.3Å |
| 19 | Q | 87.4 | Confident | 83.9 | Confident | 133 Ų | 133 | 103.4 Ų | 103.4 | 62% | 0.621 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.9 | -44.3 | 170.2 | -72.9 | 175.5 | 7 | 0 | 0 | 112.8 | N15 D16 R17 L21 A22 S23 | N15-Q19 WeakPolarHBondContact O-CB 3.36Å; N15-Q19 WeakPolarHBondContact O-CG 3.39Å; N15-Q19 PolarHBondContact O-N 3.37Å; D16-Q19 PolarHBondContact O-N 2.94Å; R17-Q19 VanDerWaalsContact C-N 3.27Å; R17-Q19 PolarHBondContact O-N 3.47Å; Q19-L21 VanDerWaalsContact C-N 3.31Å; Q19-L21 PolarHBondContact O-N 2.95Å; Q19-A22 PolarHBondContact O-N 2.76Å; Q19-S23 WeakPolarHBondContact O-CB 3.34Å; Q19-S23 PolarHBondContact O-N 3.31Å |
| 20 | T | 90.4 | Very high | 85.4 | Confident | 79 Ų | 79 | 102.2 Ų | 102.2 | 49% | 0.485 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.5 | -37 | 175 | 55.5 | 0 | 0 | 0 | 0 | 112.4 | D16 R17 S23 L24 | D16-T20 WeakPolarHBondContact O-CG2 3.23Å; D16-T20 PolarHBondContact O-N 3.04Å; D16-T20 PolarHBondContact O-OG1 2.83Å; R17-T20 WeakPolarHBondContact CA-OG1 3.35Å; R17-T20 PolarHBondContact O-N 3.47Å; R17-T20 VanDerWaalsContact O-N 3.17Å; R17-T20 PolarHBondContact O-OG1 3.26Å; T20-S23 PolarHBondContact O-N 2.7Å; T20-L24 WeakPolarHBondContact O-CB 3.5Å; T20-L24 VanDerWaalsContact O-CG 3.26Å; T20-L24 WeakPolarHBondContact O-CG 3.37Å; T20-L24 PolarHBondContact O-N 3.17Å |
| 21 | L | 90.9 | Very high | 86.7 | Confident | 108 Ų | 108 | 105.3 Ų | 105.3 | 57% | 0.565 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.3 | -42.4 | 175.8 | -71 | 172.2 | 0 | 0 | 0 | 111.4 | R17 E18 Q19 S23 L24 Q25 | R17-L21 WeakPolarHBondContact O-CG 3.38Å; R17-L21 PolarHBondContact O-N 3.24Å; E18-L21 PolarHBondContact O-N 3.49Å; Q19-L21 VanDerWaalsContact C-N 3.31Å; Q19-L21 PolarHBondContact O-N 2.95Å; L21-S23 VanDerWaalsContact C-N 3.35Å; L21-S23 PolarHBondContact O-N 3.5Å; L21-L24 PolarHBondContact O-N 3.31Å; L21-Q25 VanDerWaalsContact O-CB 3.26Å; L21-Q25 WeakPolarHBondContact O-CB 3.2Å; L21-Q25 PolarHBondContact O-N 2.88Å |
| 22 | A | 91.3 | Very high | 88 | Confident | 58 Ų | 58 | 106 Ų | 106 | 48% | 0.479 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E18 Q19 Q25 A26 | E18-A22 WeakPolarHBondContact O-CB 3.33Å; E18-A22 PolarHBondContact O-N 3.3Å; Q19-A22 PolarHBondContact O-N 2.76Å; A22-Q25 PolarHBondContact O-N 2.95Å; A22-A26 WeakPolarHBondContact O-CB 3.32Å; A22-A26 PolarHBondContact O-N 3.33Å |
| 23 | S | 92.1 | Very high | 89.1 | Confident | 66 Ų | 66 | 105.8 Ų | 105.8 | 46% | 0.462 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 175.5 | -171.1 | 0 | 0 | 0 | 0 | 112.3 | Q19 T20 L21 A26 Q27 | Q19-S23 WeakPolarHBondContact O-CB 3.34Å; Q19-S23 PolarHBondContact O-N 3.31Å; T20-S23 PolarHBondContact O-N 2.7Å; L21-S23 VanDerWaalsContact C-N 3.35Å; L21-S23 PolarHBondContact O-N 3.5Å; S23-A26 PolarHBondContact O-N 2.68Å; S23-Q27 WeakPolarHBondContact O-CG 3.46Å; S23-Q27 PolarHBondContact O-N 2.85Å |
| 24 | L | 93.4 | Very high | 90.3 | Very high | 93 Ų | 93 | 102.5 Ų | 102.5 | 49% | 0.487 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.3 | -37.7 | 176 | -73.1 | 168 | 0 | 0 | 0 | 111.5 | T20 L21 Q27 L28 | T20-L24 WeakPolarHBondContact O-CB 3.5Å; T20-L24 VanDerWaalsContact O-CG 3.26Å; T20-L24 WeakPolarHBondContact O-CG 3.37Å; T20-L24 PolarHBondContact O-N 3.17Å; L21-L24 PolarHBondContact O-N 3.31Å; L24-Q27 PolarHBondContact O-N 2.78Å; L24-L28 WeakPolarHBondContact O-CB 3.35Å; L24-L28 WeakPolarHBondContact O-CG 3.5Å; L24-L28 PolarHBondContact O-N 2.95Å |
| 25 | Q | 94.9 | Very high | 91.3 | Very high | 145 Ų | 145 | 97.5 Ų | 97.5 | 68% | 0.678 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.5 | -37.1 | 176.1 | -170.8 | 172.5 | 5.2 | 0 | 0 | 111.9 | L21 A22 A29 | L21-Q25 VanDerWaalsContact O-CB 3.26Å; L21-Q25 WeakPolarHBondContact O-CB 3.2Å; L21-Q25 PolarHBondContact O-N 2.88Å; A22-Q25 PolarHBondContact O-N 2.95Å; Q25-A29 PolarHBondContact O-N 2.91Å |
| 26 | A | 93.7 | Very high | 92.3 | Very high | 59 Ų | 59 | 99 Ų | 99 | 49% | 0.488 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.6 | -45.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A22 S23 L28 A29 E30 | A22-A26 WeakPolarHBondContact O-CB 3.32Å; A22-A26 PolarHBondContact O-N 3.33Å; S23-A26 PolarHBondContact O-N 2.68Å; A26-L28 PolarHBondContact O-N 3.47Å; A26-A29 PolarHBondContact O-N 3.21Å; A26-E30 PolarHBondContact O-N 3.04Å |
| 27 | Q | 95 | Very high | 93.1 | Very high | 88 Ų | 88 | 100.7 Ų | 100.7 | 41% | 0.411 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.9 | -40.9 | 175.2 | -76.2 | 178.1 | -27.4 | 0 | 0 | 112.5 | S23 L24 A29 E30 Y31 | S23-Q27 WeakPolarHBondContact O-CG 3.46Å; S23-Q27 PolarHBondContact O-N 2.85Å; L24-Q27 PolarHBondContact O-N 2.78Å; Q27-A29 VanDerWaalsContact C-N 3.34Å; Q27-A29 PolarHBondContact O-N 3.02Å; Q27-E30 PolarHBondContact O-N 2.98Å; Q27-Y31 HydrophobicContact CB-CE2 4.37Å; Q27-Y31 WeakPolarHBondContact O-CD2 3.47Å; Q27-Y31 PolarHBondContact O-N 3Å |
| 28 | L | 94.1 | Very high | 93.9 | Very high | 121 Ų | 121 | 100 Ų | 100 | 63% | 0.634 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.9 | -40.1 | 175 | -75 | 171.3 | 0 | 0 | 0 | 112.1 | L24 A26 Q32 | L24-L28 WeakPolarHBondContact O-CB 3.35Å; L24-L28 WeakPolarHBondContact O-CG 3.5Å; L24-L28 PolarHBondContact O-N 2.95Å; A26-L28 PolarHBondContact O-N 3.47Å; L28-Q32 WeakPolarHBondContact O-CB 3.36Å; L28-Q32 PolarHBondContact O-N 3.38Å |
| 29 | A | 95.4 | Very high | 94.4 | Very high | 57 Ų | 57 | 102 Ų | 102 | 47% | 0.471 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.1 | -37.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q25 A26 Q27 Q32 A33 | Q25-A29 PolarHBondContact O-N 2.91Å; A26-A29 PolarHBondContact O-N 3.21Å; Q27-A29 VanDerWaalsContact C-N 3.34Å; Q27-A29 PolarHBondContact O-N 3.02Å; A29-Q32 PolarHBondContact O-N 3.42Å; A29-A33 WeakPolarHBondContact O-CB 3.45Å; A29-A33 PolarHBondContact O-N 3.1Å |
| 30 | E | 95.4 | Very high | 94.9 | Very high | 140 Ų | 140 | 97.1 Ų | 97.1 | 65% | 0.654 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.9 | -45.8 | 175.8 | -172.2 | 170.2 | -156 | 0 | 0 | 111.8 | A26 Q27 Q32 A33 Q34 | A26-E30 PolarHBondContact O-N 3.04Å; Q27-E30 PolarHBondContact O-N 2.98Å; E30-Q32 VanDerWaalsContact C-N 3.33Å; E30-Q32 PolarHBondContact O-N 3.02Å; E30-A33 PolarHBondContact O-N 3.22Å; E30-Q34 WeakPolarHBondContact O-CB 3.49Å; E30-Q34 PolarHBondContact O-N 2.88Å |
| 31 | Y | 95.4 | Very high | 95.2 | Very high | 152 Ų | 152 | 95.9 Ų | 95.9 | 60% | 0.596 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.5 | -37 | 173.2 | -73 | -57.3 | 0 | 0 | 0 | 112.6 | Q27 Q34 A35 | Q27-Y31 HydrophobicContact CB-CE2 4.37Å; Q27-Y31 WeakPolarHBondContact O-CD2 3.47Å; Q27-Y31 PolarHBondContact O-N 3Å; Y31-Q34 PolarHBondContact O-N 2.89Å; Y31-A35 WeakPolarHBondContact O-CB 3.41Å; Y31-A35 PolarHBondContact O-N 3.15Å |
| 32 | Q | 97.1 | Very high | 95.4 | Very high | 117 Ų | 117 | 93.5 Ų | 93.5 | 55% | 0.547 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.7 | -48 | 174.9 | -176.4 | 179.9 | -21.6 | 0 | 0 | 111.1 | L28 A29 E30 Q34 A35 E36 | L28-Q32 WeakPolarHBondContact O-CB 3.36Å; L28-Q32 PolarHBondContact O-N 3.38Å; A29-Q32 PolarHBondContact O-N 3.42Å; E30-Q32 VanDerWaalsContact C-N 3.33Å; E30-Q32 PolarHBondContact O-N 3.02Å; Q32-Q34 VanDerWaalsContact C-N 3.27Å; Q32-Q34 PolarHBondContact O-N 2.85Å; Q32-A35 PolarHBondContact O-N 2.85Å; Q32-A35 VanDerWaalsContact O-N 3.15Å; Q32-E36 WeakPolarHBondContact CG-OE1 3.5Å; Q32-E36 PolarHBondContact NE2-OE1 3.49Å; Q32-E36 WeakPolarHBondContact O-CG 3.48Å; Q32-E36 PolarHBondContact O-N 2.85Å |
| 33 | A | 96.4 | Very high | 95.7 | Very high | 55 Ų | 55 | 94 Ų | 94 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.4 | -35.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A29 E30 H37 | A29-A33 WeakPolarHBondContact O-CB 3.45Å; A29-A33 PolarHBondContact O-N 3.1Å; E30-A33 PolarHBondContact O-N 3.22Å; A33-H37 VanDerWaalsContact O-CB 3.32Å; A33-H37 WeakPolarHBondContact O-CB 3.41Å; A33-H37 PolarHBondContact O-N 3.3Å |
| 34 | Q | 96.6 | Very high | 96 | Very high | 99 Ų | 99 | 96.4 Ų | 96.4 | 46% | 0.463 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68 | -39.4 | 174.5 | -166.3 | 179.5 | 31.2 | 0 | 0 | 112.1 | E30 Y31 Q32 H37 W38 | E30-Q34 WeakPolarHBondContact O-CB 3.49Å; E30-Q34 PolarHBondContact O-N 2.88Å; Y31-Q34 PolarHBondContact O-N 2.89Å; Q32-Q34 VanDerWaalsContact C-N 3.27Å; Q32-Q34 PolarHBondContact O-N 2.85Å; Q34-H37 PolarHBondContact O-N 2.76Å; Q34-W38 PolarHBondContact O-N 2.87Å |
| 35 | A | 93.5 | Very high | 96.1 | Very high | 59 Ų | 59 | 95.9 Ų | 95.9 | 49% | 0.488 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.6 | -45.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y31 Q32 H37 W38 Q39 | Y31-A35 WeakPolarHBondContact O-CB 3.41Å; Y31-A35 PolarHBondContact O-N 3.15Å; Q32-A35 PolarHBondContact O-N 2.85Å; Q32-A35 VanDerWaalsContact O-N 3.15Å; A35-H37 VanDerWaalsContact C-N 3.31Å; A35-H37 PolarHBondContact O-N 2.93Å; A35-W38 PolarHBondContact O-N 3.17Å; A35-Q39 WeakPolarHBondContact O-CB 3.39Å; A35-Q39 PolarHBondContact O-N 3.26Å |
| 36 | E | 97.4 | Very high | 96.2 | Very high | 108 Ų | 108 | 94.6 Ų | 94.6 | 51% | 0.505 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.9 | -39.2 | 174.4 | -71.5 | 172.1 | -167.9 | 0 | 0 | 111.5 | Q32 Q39 G40 | Q32-E36 WeakPolarHBondContact CG-OE1 3.5Å; Q32-E36 PolarHBondContact NE2-OE1 3.49Å; Q32-E36 WeakPolarHBondContact O-CG 3.48Å; Q32-E36 PolarHBondContact O-N 2.85Å; E36-Q39 PolarHBondContact O-N 3.2Å; E36-G40 PolarHBondContact O-N 2.77Å |
| 37 | H | 97.9 | Very high | 96.4 | Very high | 113 Ų | 113 | 96 Ų | 96 | 52% | 0.523 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.2 | -51.2 | 173.8 | 176.9 | 65.9 | 0 | 0 | 0 | 112.3 | A33 Q34 A35 Q39 G40 V41 | A33-H37 VanDerWaalsContact O-CB 3.32Å; A33-H37 WeakPolarHBondContact O-CB 3.41Å; A33-H37 PolarHBondContact O-N 3.3Å; Q34-H37 PolarHBondContact O-N 2.76Å; A35-H37 VanDerWaalsContact C-N 3.31Å; A35-H37 PolarHBondContact O-N 2.93Å; H37-Q39 VanDerWaalsContact C-N 3.32Å; H37-Q39 PolarHBondContact O-N 3.08Å; H37-G40 PolarHBondContact O-N 3.03Å; H37-G40 VanDerWaalsContact O-N 3.15Å; H37-V41 WeakPolarHBondContact O-CG2 3.28Å; H37-V41 PolarHBondContact O-N 3.38Å |
| 38 | W | 95.9 | Very high | 96.5 | Very high | 156 Ų | 156 | 94.2 Ų | 94.2 | 59% | 0.591 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.1 | -34.4 | 178.6 | -73.9 | 120.5 | 0 | 0 | 0 | 112.7 | Q34 A35 V41 A42 | Q34-W38 PolarHBondContact O-N 2.87Å; A35-W38 PolarHBondContact O-N 3.17Å; W38-V41 HydrophobicContact CE3-CB 4.44Å; W38-V41 HydrophobicContact CE3-CG1 4.49Å; W38-V41 PolarHBondContact O-N 2.86Å; W38-A42 WeakPolarHBondContact O-CB 3.32Å; W38-A42 PolarHBondContact O-N 3.17Å |
| 39 | Q | 97.7 | Very high | 96.7 | Very high | 137 Ų | 137 | 94.8 Ų | 94.8 | 64% | 0.64 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.4 | -42 | 171.9 | -176.4 | 178 | -5.5 | 0 | 0 | 111.3 | A35 E36 H37 A42 T43 | A35-Q39 WeakPolarHBondContact O-CB 3.39Å; A35-Q39 PolarHBondContact O-N 3.26Å; E36-Q39 PolarHBondContact O-N 3.2Å; H37-Q39 VanDerWaalsContact C-N 3.32Å; H37-Q39 PolarHBondContact O-N 3.08Å; Q39-A42 PolarHBondContact O-N 2.94Å; Q39-T43 WeakPolarHBondContact O-CB 3.33Å; Q39-T43 PolarHBondContact O-N 3.42Å; Q39-T43 PolarHBondContact O-OG1 2.93Å |
| 40 | G | 98.1 | Very high | 96.7 | Very high | 30 Ų | 30 | 96.9 Ų | 96.9 | 31% | 0.309 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.7 | -47.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E36 H37 T43 I44 | E36-G40 PolarHBondContact O-N 2.77Å; H37-G40 PolarHBondContact O-N 3.03Å; H37-G40 VanDerWaalsContact O-N 3.15Å; G40-T43 PolarHBondContact O-N 2.84Å; G40-I44 WeakPolarHBondContact O-CG1 3.49Å; G40-I44 PolarHBondContact O-N 3.08Å |
| 41 | V | 97.7 | Very high | 96.8 | Very high | 52 Ų | 52 | 96.4 Ų | 96.4 | 32% | 0.315 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.1 | -46.8 | 175.6 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | H37 W38 T43 I44 C45 | H37-V41 WeakPolarHBondContact O-CG2 3.28Å; H37-V41 PolarHBondContact O-N 3.38Å; W38-V41 HydrophobicContact CE3-CB 4.44Å; W38-V41 HydrophobicContact CE3-CG1 4.49Å; W38-V41 PolarHBondContact O-N 2.86Å; V41-T43 VanDerWaalsContact C-N 3.31Å; V41-T43 PolarHBondContact O-N 2.96Å; V41-I44 PolarHBondContact O-N 2.9Å; V41-C45 PolarHBondContact O-N 2.99Å; V41-C45 PolarHBondContact O-SG 2.96Å; V41-C45 VanDerWaalsContact O-SG 3.34Å |
| 42 | A | 94.6 | Very high | 96.8 | Very high | 59 Ų | 59 | 94.9 Ų | 94.9 | 49% | 0.488 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.6 | -41.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | W38 Q39 C45 E46 | W38-A42 WeakPolarHBondContact O-CB 3.32Å; W38-A42 PolarHBondContact O-N 3.17Å; Q39-A42 PolarHBondContact O-N 2.94Å; A42-C45 PolarHBondContact O-N 3.01Å; A42-E46 WeakPolarHBondContact O-CB 3.46Å; A42-E46 PolarHBondContact O-N 3.44Å |
| 43 | T | 97.5 | Very high | 96.7 | Very high | 67 Ų | 67 | 94 Ų | 94 | 41% | 0.411 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.8 | -44 | 176.2 | -52.2 | 0 | 0 | 0 | 0 | 111.5 | Q39 G40 V41 E46 L47 | Q39-T43 WeakPolarHBondContact O-CB 3.33Å; Q39-T43 PolarHBondContact O-N 3.42Å; Q39-T43 PolarHBondContact O-OG1 2.93Å; G40-T43 PolarHBondContact O-N 2.84Å; V41-T43 VanDerWaalsContact C-N 3.31Å; V41-T43 PolarHBondContact O-N 2.96Å; T43-E46 PolarHBondContact O-N 3.44Å; T43-L47 HydrophobicContact CG2-CD1 4.15Å; T43-L47 WeakPolarHBondContact O-CG 3.46Å; T43-L47 PolarHBondContact O-N 3.3Å |
| 44 | I | 97.7 | Very high | 96.7 | Very high | 118 Ų | 118 | 94.3 Ų | 94.3 | 61% | 0.605 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.2 | -42.2 | 178 | -67.3 | 164.9 | 0 | 0 | 0 | 110.9 | G40 V41 E46 L47 S48 | G40-I44 WeakPolarHBondContact O-CG1 3.49Å; G40-I44 PolarHBondContact O-N 3.08Å; V41-I44 PolarHBondContact O-N 2.9Å; I44-E46 VanDerWaalsContact C-N 3.34Å; I44-E46 PolarHBondContact O-N 3.45Å; I44-L47 PolarHBondContact O-N 3.04Å; I44-S48 VanDerWaalsContact O-CB 3.28Å; I44-S48 WeakPolarHBondContact O-CB 3.44Å; I44-S48 PolarHBondContact O-N 2.99Å |
| 45 | C | 97 | Very high | 96.8 | Very high | 81 Ų | 81 | 95.6 Ų | 95.6 | 55% | 0.547 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.8 | -37.6 | 175.2 | -68.9 | 0 | 0 | 0 | 0 | 112.5 | V41 A42 K49 | V41-C45 PolarHBondContact O-N 2.99Å; V41-C45 PolarHBondContact O-SG 2.96Å; V41-C45 VanDerWaalsContact O-SG 3.34Å; A42-C45 PolarHBondContact O-N 3.01Å; C45-K49 WeakPolarHBondContact O-CB 3.43Å; C45-K49 PolarHBondContact O-N 3.29Å; C45-K49 VanDerWaalsContact O-N 3.08Å |
| 46 | E | 96.8 | Very high | 97 | Very high | 119 Ų | 119 | 97.4 Ų | 97.4 | 56% | 0.556 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.8 | -45.5 | 175.6 | -177.1 | 170.7 | -168.8 | 0 | 0 | 111.7 | A42 T43 I44 K49 Q50 | A42-E46 WeakPolarHBondContact O-CB 3.46Å; A42-E46 PolarHBondContact O-N 3.44Å; T43-E46 PolarHBondContact O-N 3.44Å; I44-E46 VanDerWaalsContact C-N 3.34Å; I44-E46 PolarHBondContact O-N 3.45Å; E46-K49 PolarHBondContact O-N 3.44Å; E46-Q50 VanDerWaalsContact O-CG 3.31Å; E46-Q50 WeakPolarHBondContact O-CG 3.38Å; E46-Q50 PolarHBondContact O-N 3.36Å; E46-Q50 PolarHBondContact OE1-NE2 2.93Å |
| 47 | L | 97.3 | Very high | 96.9 | Very high | 87 Ų | 87 | 97.4 Ų | 97.4 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.6 | -47 | 176.9 | -69.7 | 172.1 | 0 | 0 | 0 | 112 | T43 I44 K49 Q50 E51 | T43-L47 HydrophobicContact CG2-CD1 4.15Å; T43-L47 WeakPolarHBondContact O-CG 3.46Å; T43-L47 PolarHBondContact O-N 3.3Å; I44-L47 PolarHBondContact O-N 3.04Å; L47-K49 VanDerWaalsContact C-N 3.29Å; L47-K49 PolarHBondContact O-N 3.36Å; L47-Q50 WeakPolarHBondContact O-CA 3.43Å; L47-Q50 WeakPolarHBondContact O-CB 3.34Å; L47-Q50 PolarHBondContact O-N 2.97Å; L47-E51 WeakPolarHBondContact O-CG 3.43Å; L47-E51 PolarHBondContact O-N 2.95Å |
| 48 | S | 96.9 | Very high | 97 | Very high | 52 Ų | 52 | 97.9 Ų | 97.9 | 36% | 0.364 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.3 | -40.4 | 176.5 | 177.2 | 0 | 0 | 0 | 0 | 111.9 | I44 E51 E52 | I44-S48 VanDerWaalsContact O-CB 3.28Å; I44-S48 WeakPolarHBondContact O-CB 3.44Å; I44-S48 PolarHBondContact O-N 2.99Å; S48-E51 PolarHBondContact O-N 3.23Å; S48-E52 WeakPolarHBondContact O-CG 3.44Å; S48-E52 PolarHBondContact O-N 2.92Å |
| 49 | K | 97.4 | Very high | 97 | Very high | 132 Ų | 132 | 95.2 Ų | 95.2 | 57% | 0.574 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66 | -38.3 | 173.5 | 178.8 | -175.2 | 172.4 | -173.1 | 0 | 112.3 | C45 E46 L47 E51 L53 | C45-K49 WeakPolarHBondContact O-CB 3.43Å; C45-K49 PolarHBondContact O-N 3.29Å; C45-K49 VanDerWaalsContact O-N 3.08Å; E46-K49 PolarHBondContact O-N 3.44Å; L47-K49 VanDerWaalsContact C-N 3.29Å; L47-K49 PolarHBondContact O-N 3.36Å; K49-E51 VanDerWaalsContact C-N 3.35Å; K49-L53 HydrophobicContact CG-CD1 4.15Å; K49-L53 WeakPolarHBondContact O-CB 3.46Å; K49-L53 VanDerWaalsContact O-CG 3.25Å; K49-L53 WeakPolarHBondContact O-CG 3.39Å; K49-L53 PolarHBondContact O-N 2.93Å |
| 50 | Q | 96.9 | Very high | 96.9 | Very high | 102 Ų | 102 | 91.8 Ų | 91.8 | 48% | 0.477 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.5 | -37.6 | 176.4 | -72.5 | 174.2 | 15.3 | 0 | 0 | 111.5 | E46 L47 A54 | E46-Q50 VanDerWaalsContact O-CG 3.31Å; E46-Q50 WeakPolarHBondContact O-CG 3.38Å; E46-Q50 PolarHBondContact O-N 3.36Å; E46-Q50 PolarHBondContact OE1-NE2 2.93Å; L47-Q50 WeakPolarHBondContact O-CA 3.43Å; L47-Q50 WeakPolarHBondContact O-CB 3.34Å; L47-Q50 PolarHBondContact O-N 2.97Å; Q50-A54 WeakPolarHBondContact O-CB 3.44Å; Q50-A54 PolarHBondContact O-N 2.84Å |
| 51 | E | 96.9 | Very high | 96.9 | Very high | 130 Ų | 130 | 93.4 Ų | 93.4 | 61% | 0.607 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.9 | -50.5 | 174.3 | -71.2 | 172.3 | 167.5 | 0 | 0 | 111.4 | L47 S48 K49 L53 A54 E55 | L47-E51 WeakPolarHBondContact O-CG 3.43Å; L47-E51 PolarHBondContact O-N 2.95Å; S48-E51 PolarHBondContact O-N 3.23Å; K49-E51 VanDerWaalsContact C-N 3.35Å; E51-L53 VanDerWaalsContact C-N 3.33Å; E51-L53 PolarHBondContact O-N 2.81Å; E51-A54 PolarHBondContact O-N 3.28Å; E51-A54 VanDerWaalsContact O-N 3.09Å; E51-E55 PolarHBondContact O-N 3.23Å |
| 52 | E | 95.9 | Very high | 96.9 | Very high | 119 Ų | 119 | 95.9 Ų | 95.9 | 56% | 0.556 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -57.3 | -42.7 | 175.5 | -73.4 | 177 | -179.7 | 0 | 0 | 112.4 | S48 A54 E55 L56 | S48-E52 WeakPolarHBondContact O-CG 3.44Å; S48-E52 PolarHBondContact O-N 2.92Å; E52-A54 VanDerWaalsContact C-N 3.35Å; E52-A54 PolarHBondContact O-N 3.49Å; E52-E55 PolarHBondContact O-N 3.23Å; E52-L56 WeakPolarHBondContact O-CB 3.28Å; E52-L56 VanDerWaalsContact O-CG 3.31Å; E52-L56 WeakPolarHBondContact O-CG 3.39Å; E52-L56 PolarHBondContact O-N 3.32Å |
| 53 | L | 94.2 | Very high | 97.1 | Very high | 98 Ų | 98 | 99.4 Ų | 99.4 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.9 | -35.8 | 176.3 | -73.2 | 172.2 | 0 | 0 | 0 | 112.5 | K49 E51 Q57 | K49-L53 HydrophobicContact CG-CD1 4.15Å; K49-L53 WeakPolarHBondContact O-CB 3.46Å; K49-L53 VanDerWaalsContact O-CG 3.25Å; K49-L53 WeakPolarHBondContact O-CG 3.39Å; K49-L53 PolarHBondContact O-N 2.93Å; E51-L53 VanDerWaalsContact C-N 3.33Å; E51-L53 PolarHBondContact O-N 2.81Å; L53-Q57 VanDerWaalsContact O-CB 3.3Å; L53-Q57 WeakPolarHBondContact O-CB 3.27Å; L53-Q57 PolarHBondContact O-N 2.84Å |
| 54 | A | 97.3 | Very high | 97 | Very high | 62 Ų | 62 | 100.2 Ų | 100.2 | 51% | 0.512 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70.7 | -38 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q50 E51 E52 K58 | Q50-A54 WeakPolarHBondContact O-CB 3.44Å; Q50-A54 PolarHBondContact O-N 2.84Å; E51-A54 PolarHBondContact O-N 3.28Å; E51-A54 VanDerWaalsContact O-N 3.09Å; E52-A54 VanDerWaalsContact C-N 3.35Å; E52-A54 PolarHBondContact O-N 3.49Å; A54-K58 WeakPolarHBondContact O-CB 3.48Å; A54-K58 PolarHBondContact O-N 3.01Å |
| 55 | E | 97.9 | Very high | 97 | Very high | 127 Ų | 127 | 100.4 Ų | 100.4 | 59% | 0.593 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.3 | -44.3 | 173.8 | -71 | -169.3 | 167.4 | 0 | 0 | 112 | E51 E52 K58 Q59 | E51-E55 PolarHBondContact O-N 3.23Å; E52-E55 PolarHBondContact O-N 3.23Å; E55-K58 PolarHBondContact O-N 2.62Å; E55-Q59 WeakPolarHBondContact O-CG 3.48Å; E55-Q59 PolarHBondContact O-N 3.02Å |
| 56 | L | 97.3 | Very high | 97.1 | Very high | 96 Ų | 96 | 100.5 Ų | 100.5 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 174.8 | -73 | 171.1 | 0 | 0 | 0 | 112.2 | E52 K58 Q59 C60 | E52-L56 WeakPolarHBondContact O-CB 3.28Å; E52-L56 VanDerWaalsContact O-CG 3.31Å; E52-L56 WeakPolarHBondContact O-CG 3.39Å; E52-L56 PolarHBondContact O-N 3.32Å; L56-K58 VanDerWaalsContact C-N 3.34Å; L56-K58 PolarHBondContact O-N 3.13Å; L56-Q59 PolarHBondContact O-N 3.3Å; L56-C60 PolarHBondContact O-N 2.98Å; L56-C60 PolarHBondContact O-SG 3.09Å |
| 57 | Q | 97 | Very high | 97.1 | Very high | 108 Ų | 108 | 100.2 Ų | 100.2 | 51% | 0.505 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60 | -45.9 | 174.7 | 177.8 | 58.5 | 47.2 | 0 | 0 | 111 | L53 Q59 C60 D61 | L53-Q57 VanDerWaalsContact O-CB 3.3Å; L53-Q57 WeakPolarHBondContact O-CB 3.27Å; L53-Q57 PolarHBondContact O-N 2.84Å; Q57-Q59 PolarHBondContact O-N 3.13Å; Q57-C60 WeakPolarHBondContact O-CB 3.46Å; Q57-C60 PolarHBondContact O-N 3.06Å; Q57-D61 VanDerWaalsContact NE2-CG 3.25Å; Q57-D61 PolarHBondContact NE2-OD1 3.38Å; Q57-D61 PolarHBondContact NE2-OD2 3.16Å; Q57-D61 PolarHBondContact O-N 2.87Å |
| 58 | K | 98.1 | Very high | 97.1 | Very high | 123 Ų | 123 | 101.9 Ų | 101.9 | 54% | 0.535 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61 | -42.9 | 177.1 | -179.8 | -174.1 | 164 | -169.9 | 0 | 112.1 | A54 E55 L56 D61 E62 | A54-K58 WeakPolarHBondContact O-CB 3.48Å; A54-K58 PolarHBondContact O-N 3.01Å; E55-K58 PolarHBondContact O-N 2.62Å; L56-K58 VanDerWaalsContact C-N 3.34Å; L56-K58 PolarHBondContact O-N 3.13Å; K58-D61 PolarHBondContact O-N 3.01Å; K58-E62 WeakPolarHBondContact CE-OE1 3.42Å; K58-E62 IonicContact NZ-OE1 3.93Å; K58-E62 WeakPolarHBondContact O-CB 3.22Å; K58-E62 WeakPolarHBondContact O-CG 3.35Å; K58-E62 PolarHBondContact O-N 3.34Å |
| 59 | Q | 97.7 | Very high | 97.1 | Very high | 101 Ų | 101 | 104.9 Ų | 104.9 | 47% | 0.472 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.1 | -45.3 | 176.2 | -73.2 | 170.1 | 12.8 | 0 | 0 | 111.4 | E55 L56 Q57 D61 E62 E63 | E55-Q59 WeakPolarHBondContact O-CG 3.48Å; E55-Q59 PolarHBondContact O-N 3.02Å; L56-Q59 PolarHBondContact O-N 3.3Å; Q57-Q59 PolarHBondContact O-N 3.13Å; Q59-D61 VanDerWaalsContact C-N 3.33Å; Q59-D61 PolarHBondContact O-N 3.48Å; Q59-E62 PolarHBondContact O-N 3.39Å; Q59-E63 WeakPolarHBondContact O-CG 3.32Å; Q59-E63 PolarHBondContact O-N 2.88Å |
| 60 | C | 95.6 | Very high | 97.1 | Very high | 64 Ų | 64 | 101 Ų | 101 | 43% | 0.432 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.1 | -43.9 | 173.6 | -68.7 | 0 | 0 | 0 | 0 | 112.1 | L56 Q57 E63 I64 | L56-C60 PolarHBondContact O-N 2.98Å; L56-C60 PolarHBondContact O-SG 3.09Å; Q57-C60 WeakPolarHBondContact O-CB 3.46Å; Q57-C60 PolarHBondContact O-N 3.06Å; C60-E63 PolarHBondContact O-N 3.44Å; C60-I64 WeakPolarHBondContact O-CB 3.43Å; C60-I64 WeakPolarHBondContact O-CD1 3.34Å; C60-I64 WeakPolarHBondContact O-CG1 3.44Å; C60-I64 PolarHBondContact O-N 2.92Å |
| 61 | D | 97.3 | Very high | 97 | Very high | 65 Ų | 65 | 101.8 Ų | 101.8 | 35% | 0.348 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.6 | -35.5 | 179.3 | -68.9 | -34.7 | 0 | 0 | 0 | 112.5 | Q57 K58 Q59 Q65 | Q57-D61 VanDerWaalsContact NE2-CG 3.25Å; Q57-D61 PolarHBondContact NE2-OD1 3.38Å; Q57-D61 PolarHBondContact NE2-OD2 3.16Å; Q57-D61 PolarHBondContact O-N 2.87Å; K58-D61 PolarHBondContact O-N 3.01Å; Q59-D61 VanDerWaalsContact C-N 3.33Å; Q59-D61 PolarHBondContact O-N 3.48Å; D61-Q65 WeakPolarHBondContact O-CB 3.25Å; D61-Q65 VanDerWaalsContact O-CG 3.26Å; D61-Q65 WeakPolarHBondContact O-CG 3.22Å; D61-Q65 PolarHBondContact O-N 3.34Å; D61-Q65 VanDerWaalsContact O-N 3.08Å; D61-Q65 PolarHBondContact O-NE2 3.2Å; D61-Q65 VanDerWaalsContact O-NE2 3.09Å |
| 62 | E | 98.2 | Very high | 97.1 | Very high | 104 Ų | 104 | 102.8 Ų | 102.8 | 49% | 0.486 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.3 | -42.4 | 173.9 | -74.7 | 177.6 | 171.2 | 0 | 0 | 111.9 | K58 Q59 Q65 S66 | K58-E62 WeakPolarHBondContact CE-OE1 3.42Å; K58-E62 IonicContact NZ-OE1 3.93Å; K58-E62 WeakPolarHBondContact O-CB 3.22Å; K58-E62 WeakPolarHBondContact O-CG 3.35Å; K58-E62 PolarHBondContact O-N 3.34Å; Q59-E62 PolarHBondContact O-N 3.39Å; E62-Q65 PolarHBondContact O-N 2.99Å; E62-S66 WeakPolarHBondContact O-CB 3.31Å; E62-S66 PolarHBondContact O-N 2.8Å |
| 63 | E | 97.4 | Very high | 97.2 | Very high | 132 Ų | 132 | 102.2 Ų | 102.2 | 62% | 0.617 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.1 | -44 | 173.8 | -75.4 | -172.8 | -179.5 | 0 | 0 | 111.8 | Q59 C60 Q65 S66 L67 | Q59-E63 WeakPolarHBondContact O-CG 3.32Å; Q59-E63 PolarHBondContact O-N 2.88Å; C60-E63 PolarHBondContact O-N 3.44Å; E63-Q65 VanDerWaalsContact C-N 3.33Å; E63-Q65 PolarHBondContact O-N 2.97Å; E63-S66 PolarHBondContact O-N 3.28Å; E63-L67 WeakPolarHBondContact O-CB 3.46Å; E63-L67 VanDerWaalsContact O-CG 3.3Å; E63-L67 WeakPolarHBondContact O-CG 3.46Å; E63-L67 PolarHBondContact O-N 3.31Å |
| 64 | I | 97.1 | Very high | 97.3 | Very high | 84 Ų | 84 | 100.4 Ų | 100.4 | 43% | 0.431 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.7 | -44.1 | 175.8 | -72.2 | 164.5 | 0 | 0 | 0 | 110.6 | C60 L67 Q68 | C60-I64 WeakPolarHBondContact O-CB 3.43Å; C60-I64 WeakPolarHBondContact O-CD1 3.34Å; C60-I64 WeakPolarHBondContact O-CG1 3.44Å; C60-I64 PolarHBondContact O-N 2.92Å; I64-L67 PolarHBondContact O-N 3.44Å; I64-Q68 HydrophobicContact CG2-CG 4.46Å; I64-Q68 WeakPolarHBondContact O-CB 3.46Å; I64-Q68 VanDerWaalsContact O-CG 3.22Å; I64-Q68 WeakPolarHBondContact O-CG 3.49Å; I64-Q68 PolarHBondContact O-N 3.35Å |
| 65 | Q | 97.6 | Very high | 97.2 | Very high | 122 Ų | 122 | 99.5 Ų | 99.5 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.2 | -43.8 | 176.6 | -75.9 | 169.1 | 60.5 | 0 | 0 | 112.1 | D61 E62 E63 L67 Q68 E69 | D61-Q65 WeakPolarHBondContact O-CB 3.25Å; D61-Q65 VanDerWaalsContact O-CG 3.26Å; D61-Q65 WeakPolarHBondContact O-CG 3.22Å; D61-Q65 PolarHBondContact O-N 3.34Å; D61-Q65 VanDerWaalsContact O-N 3.08Å; D61-Q65 PolarHBondContact O-NE2 3.2Å; D61-Q65 VanDerWaalsContact O-NE2 3.09Å; E62-Q65 PolarHBondContact O-N 2.99Å; E63-Q65 VanDerWaalsContact C-N 3.33Å; E63-Q65 PolarHBondContact O-N 2.97Å; Q65-L67 PolarHBondContact O-N 3.35Å; Q65-Q68 PolarHBondContact O-N 3.46Å; Q65-E69 PolarHBondContact O-N 2.92Å |
| 66 | S | 97.4 | Very high | 97.1 | Very high | 83 Ų | 83 | 95.4 Ų | 95.4 | 58% | 0.58 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.6 | -44.3 | 177.2 | -173.2 | 0 | 0 | 0 | 0 | 112.2 | E62 E63 E69 A70 | E62-S66 WeakPolarHBondContact O-CB 3.31Å; E62-S66 PolarHBondContact O-N 2.8Å; E63-S66 PolarHBondContact O-N 3.28Å; S66-E69 PolarHBondContact O-N 2.82Å; S66-A70 PolarHBondContact O-N 2.93Å |
| 67 | L | 97.9 | Very high | 97.1 | Very high | 113 Ų | 113 | 95.9 Ų | 95.9 | 59% | 0.592 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.2 | -40.3 | 175.5 | -70.5 | 172.4 | 0 | 0 | 0 | 112.1 | E63 I64 Q65 A70 L71 | E63-L67 WeakPolarHBondContact O-CB 3.46Å; E63-L67 VanDerWaalsContact O-CG 3.3Å; E63-L67 WeakPolarHBondContact O-CG 3.46Å; E63-L67 PolarHBondContact O-N 3.31Å; I64-L67 PolarHBondContact O-N 3.44Å; Q65-L67 PolarHBondContact O-N 3.35Å; L67-A70 PolarHBondContact O-N 2.86Å; L67-L71 WeakPolarHBondContact O-CB 3.35Å; L67-L71 VanDerWaalsContact O-CG 3.28Å; L67-L71 WeakPolarHBondContact O-CG 3.3Å; L67-L71 PolarHBondContact O-N 3.43Å |
| 68 | Q | 97.6 | Very high | 97 | Very high | 123 Ų | 123 | 98 Ų | 98 | 58% | 0.575 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.1 | -40.7 | 174.6 | -76.9 | 175.7 | 11.6 | 0 | 0 | 112 | I64 Q65 L71 R72 | I64-Q68 HydrophobicContact CG2-CG 4.46Å; I64-Q68 WeakPolarHBondContact O-CB 3.46Å; I64-Q68 VanDerWaalsContact O-CG 3.22Å; I64-Q68 WeakPolarHBondContact O-CG 3.49Å; I64-Q68 PolarHBondContact O-N 3.35Å; Q65-Q68 PolarHBondContact O-N 3.46Å; Q68-L71 PolarHBondContact O-N 2.96Å; Q68-R72 WeakPolarHBondContact O-CB 3.35Å; Q68-R72 PolarHBondContact O-N 3.31Å |
| 69 | E | 96.5 | Very high | 97 | Very high | 114 Ų | 114 | 98.7 Ų | 98.7 | 53% | 0.533 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.2 | -43.6 | 175.7 | 179 | 140 | -121.2 | 0 | 0 | 111.9 | Q65 S66 L71 R72 E73 | Q65-E69 PolarHBondContact O-N 2.92Å; S66-E69 PolarHBondContact O-N 2.82Å; E69-L71 VanDerWaalsContact C-N 3.31Å; E69-L71 PolarHBondContact O-N 2.94Å; E69-R72 CarbonylContact O-C 3.59Å; E69-R72 WeakPolarHBondContact O-CB 3.41Å; E69-R72 PolarHBondContact O-N 2.93Å; E69-R72 VanDerWaalsContact O-N 3.12Å; E69-R72 IonicContact OE1-CZ 3.76Å; E69-R72 IonicContact OE1-NE 2.96Å; E69-R72 IonicContact OE1-NH2 2.73Å; E69-R72 PolarHBondContact OE1-NH2 3.43Å; E69-E73 PolarHBondContact O-N 3.05Å |
| 70 | A | 97.2 | Very high | 96.8 | Very high | 50 Ų | 50 | 96.6 Ų | 96.6 | 41% | 0.413 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.9 | -39.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S66 L67 E73 T74 | S66-A70 PolarHBondContact O-N 2.93Å; L67-A70 PolarHBondContact O-N 2.86Å; A70-E73 PolarHBondContact O-N 3.26Å; A70-T74 WeakPolarHBondContact O-CG2 3.31Å; A70-T74 PolarHBondContact O-N 2.89Å; A70-T74 PolarHBondContact O-OG1 3.01Å |
| 71 | L | 95.9 | Very high | 96.8 | Very high | 119 Ų | 119 | 100.7 Ų | 100.7 | 62% | 0.623 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.6 | -39.6 | 172.9 | -72.9 | 172.3 | 0 | 0 | 0 | 112.1 | L67 Q68 E69 T74 A75 | L67-L71 WeakPolarHBondContact O-CB 3.35Å; L67-L71 VanDerWaalsContact O-CG 3.28Å; L67-L71 WeakPolarHBondContact O-CG 3.3Å; L67-L71 PolarHBondContact O-N 3.43Å; Q68-L71 PolarHBondContact O-N 2.96Å; E69-L71 VanDerWaalsContact C-N 3.31Å; E69-L71 PolarHBondContact O-N 2.94Å; L71-T74 WeakPolarHBondContact CA-OG1 3.48Å; L71-T74 PolarHBondContact O-OG1 3.31Å; L71-T74 VanDerWaalsContact O-OG1 3.07Å; L71-A75 VanDerWaalsContact O-CB 3.29Å; L71-A75 WeakPolarHBondContact O-CB 3.48Å; L71-A75 PolarHBondContact O-N 3.36Å |
| 72 | R | 98 | Very high | 96.5 | Very high | 151 Ų | 151 | 101.7 Ų | 101.7 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.4 | -39.9 | 175.2 | -169.1 | -170 | 66.6 | 73.4 | -0.3 | 111.8 | Q68 E69 A76 | Q68-R72 WeakPolarHBondContact O-CB 3.35Å; Q68-R72 PolarHBondContact O-N 3.31Å; E69-R72 CarbonylContact O-C 3.59Å; E69-R72 WeakPolarHBondContact O-CB 3.41Å; E69-R72 PolarHBondContact O-N 2.93Å; E69-R72 VanDerWaalsContact O-N 3.12Å; E69-R72 IonicContact OE1-CZ 3.76Å; E69-R72 IonicContact OE1-NE 2.96Å; E69-R72 IonicContact OE1-NH2 2.73Å; E69-R72 PolarHBondContact OE1-NH2 3.43Å; R72-A76 WeakPolarHBondContact O-CB 3.39Å; R72-A76 PolarHBondContact O-N 3.02Å |
| 73 | E | 97.8 | Very high | 96.3 | Very high | 108 Ų | 108 | 99.2 Ų | 99.2 | 51% | 0.505 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.3 | -47.6 | 177.9 | -160.4 | -163.6 | 155.5 | 0 | 0 | 111.1 | E69 A70 A75 A76 Q77 | E69-E73 PolarHBondContact O-N 3.05Å; A70-E73 PolarHBondContact O-N 3.26Å; E73-A75 VanDerWaalsContact C-N 3.32Å; E73-A75 PolarHBondContact O-N 2.93Å; E73-A76 PolarHBondContact O-N 3.07Å; E73-A76 VanDerWaalsContact O-N 3.15Å; E73-Q77 VanDerWaalsContact O-CG 3.29Å; E73-Q77 WeakPolarHBondContact O-CG 3.46Å; E73-Q77 PolarHBondContact O-N 2.94Å; E73-Q77 PolarHBondContact OE1-NE2 3.07Å |
| 74 | T | 97.3 | Very high | 96 | Very high | 59 Ų | 59 | 96.7 Ų | 96.7 | 36% | 0.362 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.9 | -39 | 176 | 51.2 | 0 | 0 | 0 | 0 | 112 | A70 L71 Q77 Y78 | A70-T74 WeakPolarHBondContact O-CG2 3.31Å; A70-T74 PolarHBondContact O-N 2.89Å; A70-T74 PolarHBondContact O-OG1 3.01Å; L71-T74 WeakPolarHBondContact CA-OG1 3.48Å; L71-T74 PolarHBondContact O-OG1 3.31Å; L71-T74 VanDerWaalsContact O-OG1 3.07Å; T74-Q77 PolarHBondContact O-N 2.96Å; T74-Y78 WeakPolarHBondContact O-CD2 3.49Å; T74-Y78 PolarHBondContact O-N 2.75Å |
| 75 | A | 94.4 | Very high | 95.6 | Very high | 44 Ų | 44 | 97.9 Ų | 97.9 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.7 | -48.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112 | L71 E73 Q77 Y78 E79 | L71-A75 VanDerWaalsContact O-CB 3.29Å; L71-A75 WeakPolarHBondContact O-CB 3.48Å; L71-A75 PolarHBondContact O-N 3.36Å; E73-A75 VanDerWaalsContact C-N 3.32Å; E73-A75 PolarHBondContact O-N 2.93Å; A75-Q77 VanDerWaalsContact C-N 3.32Å; A75-Q77 PolarHBondContact O-N 3.32Å; A75-Y78 PolarHBondContact O-N 3.05Å; A75-Y78 VanDerWaalsContact O-N 3.12Å; A75-E79 WeakPolarHBondContact O-CG 3.42Å; A75-E79 PolarHBondContact O-N 3.44Å |
| 76 | A | 96.7 | Very high | 95.1 | Very high | 41 Ų | 41 | 99.5 Ų | 99.5 | 34% | 0.339 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.2 | -36.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R72 E73 E79 A80 | R72-A76 WeakPolarHBondContact O-CB 3.39Å; R72-A76 PolarHBondContact O-N 3.02Å; E73-A76 PolarHBondContact O-N 3.07Å; E73-A76 VanDerWaalsContact O-N 3.15Å; A76-E79 PolarHBondContact O-N 2.97Å; A76-A80 WeakPolarHBondContact O-CB 3.34Å; A76-A80 PolarHBondContact O-N 3.01Å |
| 77 | Q | 96.6 | Very high | 94.4 | Very high | 106 Ų | 106 | 99.9 Ų | 99.9 | 50% | 0.495 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.3 | -40.5 | 173.1 | -69 | 170.4 | 17.5 | 0 | 0 | 111.6 | E73 T74 A75 R81 | E73-Q77 VanDerWaalsContact O-CG 3.29Å; E73-Q77 WeakPolarHBondContact O-CG 3.46Å; E73-Q77 PolarHBondContact O-N 2.94Å; E73-Q77 PolarHBondContact OE1-NE2 3.07Å; T74-Q77 PolarHBondContact O-N 2.96Å; A75-Q77 VanDerWaalsContact C-N 3.32Å; A75-Q77 PolarHBondContact O-N 3.32Å; Q77-R81 WeakPolarHBondContact O-CB 3.33Å; Q77-R81 PolarHBondContact O-N 3.21Å |
| 78 | Y | 95.8 | Very high | 93.3 | Very high | 152 Ų | 152 | 100.1 Ų | 100.1 | 60% | 0.596 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.7 | -44.1 | 173.6 | -76 | -63.2 | 0 | 0 | 0 | 112.2 | T74 A75 A80 R81 I82 | T74-Y78 WeakPolarHBondContact O-CD2 3.49Å; T74-Y78 PolarHBondContact O-N 2.75Å; A75-Y78 PolarHBondContact O-N 3.05Å; A75-Y78 VanDerWaalsContact O-N 3.12Å; Y78-A80 PolarHBondContact O-N 3.4Å; Y78-R81 PolarHBondContact O-N 2.87Å; Y78-I82 WeakPolarHBondContact O-CB 3.36Å; Y78-I82 VanDerWaalsContact O-CG1 3.25Å; Y78-I82 WeakPolarHBondContact O-CG1 3.3Å; Y78-I82 PolarHBondContact O-N 2.89Å |
| 79 | E | 96.6 | Very high | 91.5 | Very high | 138 Ų | 138 | 98.8 Ų | 98.8 | 65% | 0.645 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.1 | -45.8 | 175.6 | -73 | 180 | 173 | 0 | 0 | 111.7 | A75 A76 R81 I82 A83 | A75-E79 WeakPolarHBondContact O-CG 3.42Å; A75-E79 PolarHBondContact O-N 3.44Å; A76-E79 PolarHBondContact O-N 2.97Å; E79-R81 PolarHBondContact O-N 3.42Å; E79-I82 PolarHBondContact O-N 3.37Å; E79-A83 WeakPolarHBondContact O-CB 3.44Å; E79-A83 PolarHBondContact O-N 3.39Å |
| 80 | A | 94.3 | Very high | 89.7 | Confident | 56 Ų | 56 | 97.9 Ų | 97.9 | 46% | 0.463 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.4 | -43.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | A76 Y78 A83 V84 | A76-A80 WeakPolarHBondContact O-CB 3.34Å; A76-A80 PolarHBondContact O-N 3.01Å; Y78-A80 PolarHBondContact O-N 3.4Å; A80-A83 PolarHBondContact O-N 3.39Å; A80-V84 WeakPolarHBondContact O-CG2 3.47Å; A80-V84 PolarHBondContact O-N 2.87Å |
| 81 | R | 95 | Very high | 87.5 | Confident | 150 Ų | 150 | 100.5 Ų | 100.5 | 57% | 0.566 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.7 | -39.4 | 176.4 | -171.5 | 177.1 | -177.3 | -177.8 | 1.6 | 112.1 | Q77 Y78 E79 V84 L85 | Q77-R81 WeakPolarHBondContact O-CB 3.33Å; Q77-R81 PolarHBondContact O-N 3.21Å; Y78-R81 PolarHBondContact O-N 2.87Å; E79-R81 PolarHBondContact O-N 3.42Å; R81-V84 PolarHBondContact O-N 3.42Å; R81-L85 HydrophobicContact CG-CD1 4.41Å; R81-L85 WeakPolarHBondContact O-CG 3.29Å; R81-L85 PolarHBondContact O-N 2.89Å |
| 82 | I | 92.1 | Very high | 85.2 | Confident | 87 Ų | 87 | 105.5 Ų | 105.5 | 45% | 0.446 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 174.9 | -70.5 | 164.2 | 0 | 0 | 0 | 110.2 | Y78 E79 V84 L85 Q86 | Y78-I82 WeakPolarHBondContact O-CB 3.36Å; Y78-I82 VanDerWaalsContact O-CG1 3.25Å; Y78-I82 WeakPolarHBondContact O-CG1 3.3Å; Y78-I82 PolarHBondContact O-N 2.89Å; E79-I82 PolarHBondContact O-N 3.37Å; I82-V84 PolarHBondContact O-N 3.25Å; I82-L85 PolarHBondContact O-N 3.48Å; I82-Q86 HydrophobicContact CG2-CG 4.24Å; I82-Q86 VanDerWaalsContact CG2-NE2 3.35Å; I82-Q86 WeakPolarHBondContact O-CB 3.29Å; I82-Q86 VanDerWaalsContact O-CG 3.3Å; I82-Q86 WeakPolarHBondContact O-CG 3.49Å; I82-Q86 PolarHBondContact O-N 2.89Å |
| 83 | A | 92.8 | Very high | 82.7 | Confident | 51 Ų | 51 | 108.4 Ų | 108.4 | 42% | 0.421 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.4 | -39.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E79 A80 Q86 S87 | E79-A83 WeakPolarHBondContact O-CB 3.44Å; E79-A83 PolarHBondContact O-N 3.39Å; A80-A83 PolarHBondContact O-N 3.39Å; A83-Q86 PolarHBondContact O-N 3.27Å; A83-S87 WeakPolarHBondContact O-CB 3.18Å; A83-S87 PolarHBondContact O-N 2.71Å; A83-S87 PolarHBondContact O-OG 2.93Å |
| 84 | V | 91.9 | Very high | 80 | Confident | 79 Ų | 79 | 113.5 Ų | 113.5 | 48% | 0.479 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.2 | -43.6 | 172.5 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | A80 R81 I82 Q86 S87 Q88 | A80-V84 WeakPolarHBondContact O-CG2 3.47Å; A80-V84 PolarHBondContact O-N 2.87Å; R81-V84 PolarHBondContact O-N 3.42Å; I82-V84 PolarHBondContact O-N 3.25Å; V84-Q86 VanDerWaalsContact C-N 3.34Å; V84-Q86 PolarHBondContact O-N 3.4Å; V84-S87 WeakPolarHBondContact CA-OG 3.37Å; V84-S87 PolarHBondContact O-N 3.11Å; V84-S87 PolarHBondContact O-OG 3.35Å; V84-Q88 PolarHBondContact O-N 2.97Å; V84-Q88 VanDerWaalsContact O-N 3.15Å |
| 85 | L | 88.8 | Confident | 77.5 | Confident | 110 Ų | 110 | 116.8 Ų | 116.8 | 58% | 0.576 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.8 | -31.7 | 177.2 | -70.6 | 169.6 | 0 | 0 | 0 | 113.2 | R81 I82 | R81-L85 HydrophobicContact CG-CD1 4.41Å; R81-L85 WeakPolarHBondContact O-CG 3.29Å; R81-L85 PolarHBondContact O-N 2.89Å; I82-L85 PolarHBondContact O-N 3.48Å |
| 86 | Q | 87 | Confident | 75.3 | Confident | 155 Ų | 155 | 118 Ų | 118 | 72% | 0.724 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -79.5 | -26.7 | 176.9 | -73.1 | 176.9 | -1 | 0 | 0 | 113.4 | I82 A83 V84 | I82-Q86 HydrophobicContact CG2-CG 4.24Å; I82-Q86 VanDerWaalsContact CG2-NE2 3.35Å; I82-Q86 WeakPolarHBondContact O-CB 3.29Å; I82-Q86 VanDerWaalsContact O-CG 3.3Å; I82-Q86 WeakPolarHBondContact O-CG 3.49Å; I82-Q86 PolarHBondContact O-N 2.89Å; A83-Q86 PolarHBondContact O-N 3.27Å; V84-Q86 VanDerWaalsContact C-N 3.34Å; V84-Q86 PolarHBondContact O-N 3.4Å |
| 87 | S | 82.4 | Confident | 72.3 | Confident | 91 Ų | 91 | 119.6 Ų | 119.6 | 64% | 0.636 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -88.5 | -14 | 178.3 | 53.4 | 0 | 0 | 0 | 0 | 113.8 | A83 V84 | A83-S87 WeakPolarHBondContact O-CB 3.18Å; A83-S87 PolarHBondContact O-N 2.71Å; A83-S87 PolarHBondContact O-OG 2.93Å; V84-S87 WeakPolarHBondContact CA-OG 3.37Å; V84-S87 PolarHBondContact O-N 3.11Å; V84-S87 PolarHBondContact O-OG 3.35Å |
| 88 | Q | 74.9 | Confident | 69.6 | Low | 119 Ų | 119 | 124.3 Ų | 124.3 | 56% | 0.556 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -62.3 | 125.1 | 165 | -84.3 | -169.8 | 6.1 | 0 | 0 | 110.5 | V84 | V84-Q88 PolarHBondContact O-N 2.97Å; V84-Q88 VanDerWaalsContact O-N 3.15Å |
| 89 | P | 59.8 | Low | 66.5 | Low | 94 Ų | 94 | 122.6 Ų | 122.6 | 61% | 0.61 | 66% | 0.655 | S | S | * | * | trans | -63.8 | 140.9 | 172 | 27.1 | -33.1 | 0 | 0 | 0 | 110.4 | D91 | P89-D91 PolarHBondContact O-N 2.92Š| ||
| 90 | V | 57.4 | Low | 63.6 | Low | 96 Ų | 96 | 120.7 Ų | 120.7 | 58% | 0.582 | 66% | 0.663 | S | S | * | * | trans | -76 | 72.7 | -177.7 | -172.8 | 0 | 0 | 0 | 0 | 110.8 | W92 R93 | V90-W92 PolarHBondContact O-N 3.08Å; V90-R93 HydrophobicContact CG1-CB 4.28Å; V90-R93 PolarHBondContact O-N 3.05Å | ||
| 91 | D | 51.8 | Low | 60.7 | Low | 105 Ų | 105 | 124.6 Ų | 124.6 | 56% | 0.561 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -69.5 | -18.6 | 179.5 | -79.2 | -38.2 | 0 | 0 | 0 | 113.2 | P89 R93 R94 | P89-D91 PolarHBondContact O-N 2.92Å; D91-R93 PolarHBondContact O-N 3.05Å; D91-R94 PolarHBondContact O-N 3.38Å; D91-R94 VanDerWaalsContact O-N 3.1Å |
| 92 | W | 47.9 | Very low | 57.9 | Low | 224 Ų | 224 | 122.4 Ų | 122.4 | 85% | 0.848 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -58 | -15.3 | 169.4 | -50.1 | 113.1 | 0 | 0 | 0 | 114 | V90 | V90-W92 PolarHBondContact O-N 3.08Š|
| 93 | R | 44.5 | Very low | 55 | Low | 211 Ų | 211 | 123.5 Ų | 123.5 | 80% | 0.796 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -86.4 | -6.1 | 178.4 | -160.8 | 177.3 | -71.6 | -97.6 | 3.9 | 113.8 | V90 D91 | V90-R93 HydrophobicContact CG1-CB 4.28Å; V90-R93 PolarHBondContact O-N 3.05Å; D91-R93 PolarHBondContact O-N 3.05Å |
| 94 | R | 42.5 | Very low | 52.3 | Low | 216 Ų | 216 | 132 Ų | 132 | 82% | 0.815 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -92.7 | -11.2 | -176.3 | -163.1 | 173 | -70.8 | -91.8 | 3.8 | 114.6 | D91 | D91-R94 PolarHBondContact O-N 3.38Å; D91-R94 VanDerWaalsContact O-N 3.1Å |
| 95 | T | 43.3 | Very low | 49.8 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -114.5 | 30.8 | -172.3 | 44.8 | 0 | 0 | 0 | 0 | 114.8 | ||
| 96 | G | 48.5 | Very low | 47.1 | Very low | 70 Ų | 70 | 136.9 Ų | 136.9 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -159.8 | 119 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 97 | G | 34.3 | Very low | 44.9 | Very low | 73 Ų | 73 | 140.9 Ų | 140.9 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | trans | 133.7 | 40 | 164.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | S99 | G97-S99 PolarHBondContact O-N 3.25Š| ||
| 98 | H | 39.3 | Very low | 42.6 | Very low | 206 Ų | 206 | 140 Ų | 140 | 95% | 0.954 | 77% | 0.772 | S | S | * | * | trans | -78.7 | 92.6 | 155.2 | -81.4 | 120.6 | 0 | 0 | 0 | 110 | ||||
| 99 | S | 31.8 | Very low | 40.7 | Very low | 116 Ų | 116 | 141 Ų | 141 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | -158.3 | 125.5 | 156.2 | 60.8 | 0 | 0 | 0 | 0 | 110.4 | G97 | G97-S99 PolarHBondContact O-N 3.25Š| ||
| 100 | A | 36.2 | Very low | 39.5 | Very low | 98 Ų | 98 | 140.6 Ų | 140.6 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | -105.3 | 135.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 101 | T | 33.4 | Very low | 38.3 | Very low | 138 Ų | 138 | 143.5 Ų | 143.5 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | trans | -160 | 118.9 | 148.9 | 48 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 102 | S | 34.6 | Very low | 37.4 | Very low | 104 Ų | 104 | 144.8 Ų | 144.8 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | 110.5 | 136.8 | 60.9 | 178.8 | 0 | 0 | 0 | 0 | 109 | |||||
| 103 | S | 32.6 | Very low | 36.7 | Very low | 109 Ų | 109 | 139.1 Ų | 139.1 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | 71.5 | 150.2 | 166.7 | -59.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 104 | R | 35.9 | Very low | 36.1 | Very low | 230 Ų | 230 | 135 Ų | 135 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | cis | -167.1 | 129.2 | -21 | 170.9 | 172.2 | 178.6 | 173.6 | -1.5 | 109.2 | ||||
| 105 | K | 38.1 | Very low | 35.6 | Very low | 210 Ų | 210 | 131.3 Ų | 131.3 | 91% | 0.913 | 80% | 0.799 | S | S | * | * | trans | 18.7 | 114.7 | 148.4 | -164.1 | 92.4 | 171.1 | -173.3 | 0 | 118.1 | ||||
| 106 | G | 32.9 | Very low | 34.9 | Very low | 82 Ų | 82 | 133.1 Ų | 133.1 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | -165.8 | 120.4 | 163.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 107 | R | 40.3 | Very low | 34.5 | Very low | 238 Ų | 238 | 134.9 Ų | 134.9 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | trans | -133 | 131.3 | 176.8 | -172.1 | -168.2 | -157.2 | -85.6 | 6.8 | 106 | ||||
| 108 | G | 33.9 | Very low | 35.1 | Very low | 73 Ų | 73 | 137.3 Ų | 137.3 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | trans | -177.7 | 129 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 109 | D | 35.1 | Very low | 34.8 | Very low | 141 Ų | 141 | 131.8 Ų | 131.8 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | trans | -98.2 | 164.3 | -177.2 | -64.1 | -74 | 0 | 0 | 0 | 112.5 | ||||
| 110 | A | 36.1 | Very low | 35.7 | Very low | 85 Ų | 85 | 132 Ų | 132 | 70% | 0.702 | 80% | 0.797 | S | S | * | * | trans | 68.4 | 123.1 | 143.2 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 111 | D | 32 | Very low | 35.4 | Very low | 156 Ų | 156 | 131.2 Ų | 131.2 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | 77.4 | 158.5 | 129 | -77.4 | -22.9 | 0 | 0 | 0 | 125.1 | |||||
| 112 | V | 32.7 | Very low | 35.3 | Very low | 132 Ų | 132 | 130.5 Ų | 130.5 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | trans | 79.3 | 97.9 | 174.6 | -172.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 113 | S | 33.8 | Very low | 35 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | 69.1 | 120.5 | 60.5 | -166.9 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 114 | T | 30.8 | Very low | 35 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 77% | 0.767 | 78% | 0.78 | S | S | * | * | 173.3 | 131.9 | 120.8 | -62.3 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 115 | N | 31.5 | Very low | 34.8 | Very low | 138 Ų | 138 | 125.2 Ų | 125.2 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | trans | -21.7 | 149.4 | 169.9 | -57.3 | -16.2 | 0 | 0 | 0 | 120.3 | ||||
| 116 | D | 28.9 | Very low | 34.7 | Very low | 166 Ų | 166 | 123.1 Ų | 123.1 | 89% | 0.888 | 76% | 0.764 | S | S | * | * | -152.3 | 153.8 | 99.5 | -112.9 | -19.9 | 0 | 0 | 0 | 114.6 | |||||
| 117 | S | 41 | Very low | 34.7 | Very low | 107 Ų | 107 | 126.2 Ų | 126.2 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | -120.6 | 166.6 | 179.9 | -88.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 118 | P | 46.9 | Very low | 34.1 | Very low | 125 Ų | 125 | 121.9 Ų | 121.9 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | cis | -147.4 | 178 | 37.6 | 39.9 | -17.7 | 0 | 0 | 0 | 118.5 | ||||
| 119 | A | 33.4 | Very low | 34.1 | Very low | 89 Ų | 89 | 127.4 Ų | 127.4 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | trans | -76.4 | -168.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 120 | P | 49 | Very low | 33.8 | Very low | 122 Ų | 122 | 124.3 Ų | 124.3 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | cis | -130.3 | -167.3 | 29 | 38 | -14.4 | 0 | 0 | 0 | 112.5 | ||||
| 121 | A | 30 | Very low | 33.5 | Very low | 81 Ų | 81 | 125.2 Ų | 125.2 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | cis | -158.7 | 145.7 | 22.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 122 | V | 31.4 | Very low | 33.6 | Very low | 122 Ų | 122 | 123.3 Ų | 123.3 | 74% | 0.739 | 77% | 0.765 | S | S | * | * | 70.4 | 123.8 | 94.4 | 173.3 | 0 | 0 | 0 | 0 | 112 | |||||
| 123 | N | 28.6 | Very low | 34 | Very low | 133 Ų | 133 | 122.8 Ų | 122.8 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | cis | -146.7 | 152.1 | 14.8 | -104.3 | -22 | 0 | 0 | 0 | 109.2 | ||||
| 124 | S | 33.1 | Very low | 33.8 | Very low | 97 Ų | 97 | 122.1 Ų | 122.1 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | 55.1 | 137.1 | 65.1 | 94.1 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 125 | S | 30.7 | Very low | 33.5 | Very low | 102 Ų | 102 | 122.3 Ų | 122.3 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | cis | -149.9 | 147.9 | 47.7 | 38 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 126 | K | 36.7 | Very low | 33.3 | Very low | 167 Ų | 167 | 123 Ų | 123 | 73% | 0.726 | 76% | 0.76 | S | S | * | * | 59.1 | 140.4 | 73.8 | -79.2 | 176.1 | 154.5 | -127.5 | 0 | 112.7 | |||||
| 127 | E | 32.5 | Very low | 33.2 | Very low | 146 Ų | 146 | 120.3 Ų | 120.3 | 68% | 0.682 | 75% | 0.75 | S | S | * | * | cis | -149.2 | -174.4 | 10.7 | -104.7 | 140 | -177.8 | 0 | 0 | 107.8 | ||||
| 128 | D | 28.6 | Very low | 32.4 | Very low | 148 Ų | 148 | 126.2 Ų | 126.2 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | cis | -162.6 | 177 | 30.9 | -159.4 | 9.1 | 0 | 0 | 0 | 113.5 | ||||
| 129 | E | 33.9 | Very low | 31.4 | Very low | 189 Ų | 189 | 125.5 Ų | 125.5 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | trans | -76.4 | 174.9 | -174.3 | -59.7 | -167.5 | 126.3 | 0 | 0 | 117.5 | ||||
| 130 | G | 27.8 | Very low | 31 | Very low | 76 Ų | 76 | 130.6 Ų | 130.6 | 78% | 0.784 | 75% | 0.754 | S | S | * | * | trans | -170.7 | 45.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 131 | A | 29.6 | Very low | 30.3 | Very low | 103 Ų | 103 | 130.2 Ų | 130.2 | 85% | 0.851 | 75% | 0.751 | S | S | * | * | trans | 45.5 | 124.9 | 155.8 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 132 | S | 34.2 | Very low | 30.1 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | -91.4 | 163.1 | 148 | -52.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 133 | P | 42 | Very low | 29.9 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 79% | 0.786 | 74% | 0.743 | S | S | * | * | -154.3 | 163.2 | 88.1 | 38.6 | -19.8 | 0 | 0 | 0 | 118 | |||||
| 134 | A | 30.1 | Very low | 29.9 | Very low | 91 Ų | 91 | 129.8 Ų | 129.8 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | trans | 26.7 | 150.9 | 142.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 135 | D | 24.8 | Very low | 29.6 | Very low | 129 Ų | 129 | 133.2 Ų | 133.2 | 69% | 0.69 | 75% | 0.75 | S | S | * | * | cis | 175.5 | 160.5 | 40.4 | -149 | -23.3 | 0 | 0 | 0 | 112 | ||||
| 136 | Q | 27.3 | Very low | 29.5 | Very low | 151 Ų | 151 | 134.9 Ų | 134.9 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | 63.3 | 128.2 | 139.5 | -103.1 | 165 | 83.2 | 0 | 0 | 127.2 | ||||
| 137 | T | 25.3 | Very low | 29.2 | Very low | 110 Ų | 110 | 131.5 Ų | 131.5 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | trans | 86.1 | 112.4 | 141.7 | -25.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 138 | R | 25.4 | Very low | 29.2 | Very low | 232 Ų | 232 | 129.1 Ų | 129.1 | 88% | 0.875 | 76% | 0.764 | S | S | * | * | 48.6 | 118.8 | 88.2 | -109.1 | -179.6 | -177.6 | -178 | 0.7 | 112.9 | |||||
| 139 | S | 25.6 | Very low | 29.5 | Very low | 110 Ų | 110 | 131.7 Ų | 131.7 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | -179.8 | 164.4 | 75.3 | -62.9 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 140 | R | 25.7 | Very low | 29.3 | Very low | 196 Ų | 196 | 126.4 Ų | 126.4 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | trans | -78.5 | 157.7 | 171.8 | -162 | -176.3 | 127.5 | 167.4 | -3.6 | 111.8 | E143 | R140-E143 IonicContact NH2-OE1 2.69Å; R140-E143 PolarHBondContact NH2-OE1 3.02Å | ||
| 141 | P | 33.4 | Very low | 29.5 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | -137.8 | 157.9 | 101.7 | 40 | -26.7 | 0 | 0 | 0 | 111.5 | |||||
| 142 | A | 26.6 | Very low | 29.5 | Very low | 58 Ų | 58 | 131.7 Ų | 131.7 | 48% | 0.479 | 78% | 0.777 | S | S | . | * | 62.6 | 136.1 | 50.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 143 | E | 25.8 | Very low | 29.2 | Very low | 164 Ų | 164 | 131.7 Ų | 131.7 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | cis | -168.4 | -172.2 | 1.5 | -120 | 151 | -129.7 | 0 | 0 | 110.4 | R140 | R140-E143 IonicContact NH2-OE1 2.69Å; R140-E143 PolarHBondContact NH2-OE1 3.02Å | ||
| 144 | S | 29 | Very low | 29.3 | Very low | 105 Ų | 105 | 131.1 Ų | 131.1 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | 82.4 | 116.8 | 176.1 | -147.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 145 | E | 26.6 | Very low | 29.4 | Very low | 169 Ų | 169 | 134.1 Ų | 134.1 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | cis | 71.8 | 117 | 42.1 | -60.3 | -160.6 | 162.8 | 0 | 0 | 116.1 | ||||
| 146 | T | 29.2 | Very low | 29.5 | Very low | 137 Ų | 137 | 133.1 Ų | 133.1 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | 176.5 | 144.2 | 113.4 | 28.7 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 147 | A | 30.2 | Very low | 29.5 | Very low | 96 Ų | 96 | 130.4 Ų | 130.4 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | trans | 57 | 122.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 148 | A | 32.7 | Very low | 30.3 | Very low | 96 Ų | 96 | 133.8 Ų | 133.8 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | 70.7 | 130.4 | 51.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 149 | E | 34 | Very low | 30.3 | Very low | 202 Ų | 202 | 126.4 Ų | 126.4 | 94% | 0.944 | 79% | 0.786 | S | S | * | * | cis | -140.5 | 171.5 | 17.5 | -65.2 | -175.6 | 149.8 | 0 | 0 | 113.5 | ||||
| 150 | G | 30.7 | Very low | 30.9 | Very low | 78 Ų | 78 | 131.1 Ų | 131.1 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | 161.3 | 90.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 151 | E | 31.5 | Very low | 31.1 | Very low | 208 Ų | 208 | 131 Ų | 131 | 97% | 0.972 | 79% | 0.794 | S | S | * | * | trans | -65.4 | 149.8 | -172.7 | -62.3 | -174.6 | 123.2 | 0 | 0 | 115.3 | ||||
| 152 | G | 30.4 | Very low | 31 | Very low | 83 Ų | 83 | 130 Ų | 130 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | 167.7 | 45.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 153 | S | 27.6 | Very low | 31.3 | Very low | 117 Ų | 117 | 133.6 Ų | 133.6 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -120.5 | 178.8 | 175.7 | -126.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 154 | P | 42.8 | Very low | 31.7 | Very low | 109 Ų | 109 | 133 Ų | 133 | 71% | 0.708 | 80% | 0.797 | S | S | * | * | cis | -122.4 | -166.9 | -0 | 36.6 | -15.9 | 0 | 0 | 0 | 111.9 | ||||
| 155 | L | 32.8 | Very low | 31.7 | Very low | 154 Ų | 154 | 134.7 Ų | 134.7 | 81% | 0.806 | 80% | 0.798 | S | S | * | * | cis | -141.3 | 168.6 | 7.4 | -70.9 | 163.4 | 0 | 0 | 0 | 107.2 | ||||
| 156 | S | 27.1 | Very low | 32 | Very low | 108 Ų | 108 | 132.5 Ų | 132.5 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | cis | -164.6 | 152.8 | -25.9 | -96 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 157 | A | 28 | Very low | 32 | Very low | 94 Ų | 94 | 133.5 Ų | 133.5 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | trans | -87.9 | 156.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 158 | E | 40.1 | Very low | 32.3 | Very low | 181 Ų | 181 | 134.6 Ų | 134.6 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | 15.9 | 137.8 | 132.6 | -135.9 | 62.1 | -151.1 | 0 | 0 | 120.3 | ||||
| 159 | G | 25.4 | Very low | 32.4 | Very low | 76 Ų | 76 | 134.4 Ų | 134.4 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | trans | -176.8 | 101.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 160 | Y | 38.3 | Very low | 32.6 | Very low | 210 Ų | 210 | 129.7 Ų | 129.7 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | -76.9 | 156.6 | 166.5 | -102.6 | -115.9 | 0 | 0 | 0 | 112.5 | ||||
| 161 | F | 29.9 | Very low | 33.4 | Very low | 193 Ų | 193 | 133.1 Ų | 133.1 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | 152.1 | 133.3 | 130.1 | -94.4 | -79 | 0 | 0 | 0 | 117.9 | ||||
| 162 | S | 32.3 | Very low | 33.3 | Very low | 91 Ų | 91 | 128.2 Ų | 128.2 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | trans | 66.7 | 122.7 | 135.9 | -82.2 | 0 | 0 | 0 | 0 | 128.3 | ||||
| 163 | L | 31.7 | Very low | 33.1 | Very low | 135 Ų | 135 | 128.3 Ų | 128.3 | 71% | 0.707 | 77% | 0.765 | S | S | * | * | 78.4 | 121 | 120.4 | -75.7 | 164.2 | 0 | 0 | 0 | 126 | |||||
| 164 | Q | 34.4 | Very low | 33.2 | Very low | 152 Ų | 152 | 131.7 Ų | 131.7 | 71% | 0.71 | 77% | 0.765 | S | S | * | * | trans | 61.7 | 110.1 | 133.8 | -88.3 | 175.4 | -2 | 0 | 0 | 123.3 | ||||
| 165 | N | 30.5 | Very low | 32.9 | Very low | 140 Ų | 140 | 131 Ų | 131 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | 162.7 | 156.9 | 102.8 | -86.8 | -27.4 | 0 | 0 | 0 | 114.5 | |||||
| 166 | C | 32.6 | Very low | 33.5 | Very low | 123 Ų | 123 | 129.7 Ų | 129.7 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | trans | 77.6 | 107.2 | 163.7 | -60.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 167 | D | 28 | Very low | 33.6 | Very low | 158 Ų | 158 | 131.8 Ų | 131.8 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | trans | 24.2 | 141.4 | 146.9 | -64.1 | -27.3 | 0 | 0 | 0 | 124.4 | ||||
| 168 | S | 37.7 | Very low | 34.3 | Very low | 118 Ų | 118 | 133.5 Ų | 133.5 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 77.8 | 61.2 | 178.4 | -48.3 | 0 | 0 | 0 | 0 | 114.3 | ||
| 169 | A | 33.9 | Very low | 34.1 | Very low | 92 Ų | 92 | 130.1 Ų | 130.1 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | 93.1 | 131.7 | 68.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 170 | S | 38.9 | Very low | 34.5 | Very low | 103 Ų | 103 | 131.8 Ų | 131.8 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | 177.9 | 159.2 | -64.8 | -84.1 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 171 | L | 47.9 | Very low | 34.7 | Very low | 150 Ų | 150 | 129.6 Ų | 129.6 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | cis | -171 | 150.3 | -27.9 | -103.2 | -177.7 | 0 | 0 | 0 | 106.3 | ||||
| 172 | S | 28.8 | Very low | 35 | Very low | 106 Ų | 106 | 126.2 Ų | 126.2 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | trans | 66.6 | 170.8 | 160.8 | 83.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 173 | S | 26.7 | Very low | 35.5 | Very low | 85 Ų | 85 | 132.7 Ų | 132.7 | 59% | 0.594 | 76% | 0.763 | S | S | * | * | trans | 94 | 118.5 | 139.7 | -74.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 174 | F | 29.3 | Very low | 35.7 | Very low | 187 Ų | 187 | 135.8 Ų | 135.8 | 82% | 0.82 | 77% | 0.771 | S | S | * | * | trans | 62 | 133.1 | 132.9 | -68.3 | -62.4 | 0 | 0 | 0 | 121.4 | ||||
| 175 | S | 37.6 | Very low | 35.7 | Very low | 96 Ų | 96 | 136.3 Ų | 136.3 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | trans | 72.1 | 146.9 | 144.3 | -63.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 176 | L | 44.1 | Very low | 35.9 | Very low | 126 Ų | 126 | 137.7 Ų | 137.7 | 66% | 0.66 | 78% | 0.784 | S | S | * | * | trans | 37.7 | 92.7 | 142.7 | -57.5 | 170.2 | 0 | 0 | 0 | 116.3 | ||||
| 177 | D | 29.6 | Very low | 36.1 | Very low | 151 Ų | 151 | 136.1 Ų | 136.1 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | -177 | 165.1 | 95.4 | -93.6 | -26.3 | 0 | 0 | 0 | 113.2 | |||||
| 178 | T | 42.9 | Very low | 36.5 | Very low | 130 Ų | 130 | 136.5 Ų | 136.5 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | trans | -58.5 | 141.8 | 172.7 | 51.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 179 | P | 34.7 | Very low | 36.4 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 71% | 0.714 | 77% | 0.767 | S | S | * | * | -153.1 | 164.5 | 77.5 | 38.9 | -19.2 | 0 | 0 | 0 | 117.7 | |||||
| 180 | S | 35.3 | Very low | 36.9 | Very low | 111 Ų | 111 | 139.8 Ų | 139.8 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | 56.3 | 114.4 | 153.6 | 53.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 181 | L | 41.3 | Very low | 37.4 | Very low | 164 Ų | 164 | 140.5 Ų | 140.5 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | trans | -53.1 | 149.8 | 164.4 | -69.3 | 160.9 | 0 | 0 | 0 | 113.1 | R183 | L181-R183 PolarHBondContact O-N 3.1Š| ||
| 182 | P | 37.5 | Very low | 37.2 | Very low | 122 Ų | 122 | 141.3 Ų | 141.3 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | trans | -65 | 124.1 | 168 | 27.8 | -33.2 | 0 | 0 | 0 | 110.5 | K184 | P182-K184 PolarHBondContact O-N 2.68Š| ||
| 183 | R | 42.1 | Very low | 38.1 | Very low | 228 Ų | 228 | 141 Ų | 141 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | -63.9 | 97.7 | -179.7 | -169.4 | -176.5 | -64.4 | 146.9 | -1.5 | 110.5 | L181 L185 | L181-R183 PolarHBondContact O-N 3.1Å; R183-L185 PolarHBondContact O-N 3.38Å | ||
| 184 | K | 35.9 | Very low | 39.3 | Very low | 199 Ų | 199 | 144.3 Ų | 144.3 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | trans | -68.4 | 116 | 166.6 | -115 | -176.8 | 178.9 | -178.2 | 0 | 108.2 | P182 L186 | P182-K184 PolarHBondContact O-N 2.68Å; K184-L186 PolarHBondContact O-N 2.87Å; K184-L186 VanDerWaalsContact O-N 3.15Å | ||
| 185 | L | 35.1 | Very low | 39.7 | Very low | 164 Ų | 164 | 141.8 Ų | 141.8 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | trans | -68.2 | 107 | 170.7 | -72.9 | 168.4 | 0 | 0 | 0 | 108.9 | R183 | R183-L185 PolarHBondContact O-N 3.38Š| ||
| 186 | L | 34.7 | Very low | 39.7 | Very low | 169 Ų | 169 | 142.7 Ų | 142.7 | 89% | 0.885 | 79% | 0.791 | S | S | * | * | trans | -103.2 | 123.1 | 152.3 | -98.8 | 158.6 | 0 | 0 | 0 | 106.2 | K184 | K184-L186 PolarHBondContact O-N 2.87Å; K184-L186 VanDerWaalsContact O-N 3.15Å | ||
| 187 | A | 35.8 | Very low | 39.9 | Very low | 90 Ų | 90 | 143.3 Ų | 143.3 | 74% | 0.744 | 80% | 0.8 | S | S | * | * | trans | -83.6 | 147.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 188 | Q | 36 | Very low | 40.4 | Very low | 165 Ų | 165 | 138.7 Ų | 138.7 | 77% | 0.771 | 79% | 0.789 | S | S | * | * | trans | 109.4 | 122.3 | 133.8 | -160.3 | 160.2 | -18.2 | 0 | 0 | 117.8 | ||||
| 189 | D | 36.9 | Very low | 40.6 | Very low | 117 Ų | 117 | 139.7 Ų | 139.7 | 63% | 0.626 | 80% | 0.795 | S | S | * | * | trans | 48.6 | 107.6 | 157.2 | -52.6 | -21 | 0 | 0 | 0 | 119.1 | ||||
| 190 | D | 43.3 | Very low | 40.9 | Very low | 163 Ų | 163 | 142.3 Ų | 142.3 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | -140.9 | 143.9 | 90.4 | -102.9 | -31.4 | 0 | 0 | 0 | 111.5 | |||||
| 191 | T | 50.8 | Low | 41.2 | Very low | 117 Ų | 117 | 142.8 Ų | 142.8 | 72% | 0.718 | 80% | 0.8 | S | S | * | * | trans | -81.6 | 132.7 | 179.1 | 49.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 192 | D | 42 | Very low | 41.5 | Very low | 168 Ų | 168 | 140.2 Ų | 140.2 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | trans | -151.4 | 143.3 | 133.9 | -113.1 | -28.1 | 0 | 0 | 0 | 113.2 | ||||
| 193 | S | 49.3 | Very low | 42 | Very low | 98 Ų | 98 | 143.1 Ų | 143.1 | 69% | 0.685 | 80% | 0.796 | S | S | * | * | trans | -103 | 125.6 | -163 | -101.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 194 | L | 52.3 | Low | 42.5 | Very low | 155 Ų | 155 | 136.7 Ų | 136.7 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | 75.1 | 159.2 | 134.8 | -60.4 | 169.1 | 0 | 0 | 0 | 120.5 | ||||
| 195 | V | 37.6 | Very low | 43.8 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | trans | 76.7 | 98 | 161.9 | -160.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 196 | S | 36.3 | Very low | 45.4 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | -159.1 | 141.9 | 101.6 | -161 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 197 | T | 49.5 | Very low | 47.1 | Very low | 139 Ų | 139 | 132.8 Ų | 132.8 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | -83.9 | 144.7 | 170.7 | -45.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 198 | G | 38.7 | Very low | 48.7 | Very low | 54 Ų | 54 | 130.2 Ų | 130.2 | 56% | 0.557 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 105.9 | 113.1 | 158.4 | 0 | 0 | 0 | 0 | 0 | 116 | L200 | G198-L200 PolarHBondContact O-N 3.48Š|
| 199 | T | 48.5 | Very low | 50.4 | Low | 152 Ų | 152 | 125.9 Ų | 125.9 | 93% | 0.933 | 73% | 0.731 | S | S | * | * | trans | 17.8 | 86.2 | 146 | 55.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 200 | L | 41 | Very low | 51.6 | Low | 165 Ų | 165 | 125.2 Ų | 125.2 | 86% | 0.864 | 74% | 0.741 | S | S | * | * | trans | -127.4 | 136.9 | 155.7 | -106 | 151.9 | 0 | 0 | 0 | 108.9 | G198 | G198-L200 PolarHBondContact O-N 3.48Š| ||
| 201 | V | 40.7 | Very low | 53.1 | Low | 121 Ų | 121 | 121.6 Ų | 121.6 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | trans | -47.3 | 133.2 | -172.8 | 178.3 | 0 | 0 | 0 | 0 | 110.7 | E203 | V201-E203 PolarHBondContact O-N 3.26Š| ||
| 202 | P | 47 | Very low | 54.3 | Low | 109 Ų | 109 | 122.1 Ų | 122.1 | 71% | 0.708 | 74% | 0.737 | S | S | * | * | trans | -61.7 | 103 | 167.9 | -19.1 | 31.9 | 0 | 0 | 0 | 109.1 | ||||
| 203 | E | 48 | Very low | 56.2 | Low | 183 Ų | 183 | 124.9 Ų | 124.9 | 86% | 0.855 | 74% | 0.735 | S | S | * | * | trans | -53.6 | 141 | 159.5 | -77.6 | -173.3 | 128.9 | 0 | 0 | 108.1 | V201 I205 | V201-E203 PolarHBondContact O-N 3.26Å; E203-I205 PolarHBondContact O-N 3.17Å; E203-I205 VanDerWaalsContact O-N 3.08Å | ||
| 204 | A | 53.6 | Low | 57.6 | Low | 93 Ų | 93 | 126 Ų | 126 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | trans | -50.2 | 118.6 | -159.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y206 | A204-Y206 PolarHBondContact O-N 2.94Š| ||
| 205 | I | 62 | Low | 59.2 | Low | 147 Ų | 147 | 121.8 Ų | 121.8 | 75% | 0.754 | 71% | 0.713 | S | S | * | * | trans | -61.5 | 97.3 | 162.2 | -57 | 173.6 | 0 | 0 | 0 | 105.2 | E203 L207 | E203-I205 PolarHBondContact O-N 3.17Å; E203-I205 VanDerWaalsContact O-N 3.08Å; I205-L207 VanDerWaalsContact C-N 3.34Å; I205-L207 PolarHBondContact O-N 3.46Å | ||
| 206 | Y | 70.6 | Confident | 61.6 | Low | 156 Ų | 156 | 118.6 Ų | 118.6 | 61% | 0.612 | 69% | 0.694 | S | S | * | * | trans | -65.4 | 97.4 | -178.4 | 176.4 | -100.1 | 0 | 0 | 0 | 108.4 | A204 P208 L214 | A204-Y206 PolarHBondContact O-N 2.94Å; Y206-P208 HydrophobicContact CD1-CG 4.32Å; Y206-P208 HydrophobicContact CE1-CB 4.27Å; Y206-P208 HydrophobicContact CE1-CG 4.07Å; Y206-P208 WeakPolarHBondContact O-CD 3.23Å; Y206-L214 HydrophobicContact CD1-CD2 4.36Å; Y206-L214 HydrophobicContact CE1-CD2 4.46Å | ||
| 207 | L | 69.9 | Low | 64.2 | Low | 148 Ų | 148 | 121 Ų | 121 | 78% | 0.775 | 69% | 0.693 | S | S | * | * | trans | -86.3 | 111 | 175 | -160.7 | 73.6 | 0 | 0 | 0 | 107 | I205 | I205-L207 VanDerWaalsContact C-N 3.34Å; I205-L207 PolarHBondContact O-N 3.46Å | ||
| 208 | P | 68.6 | Low | 66.2 | Low | 35 Ų | 35 | 118.3 Ų | 118.3 | 23% | 0.227 | 68% | 0.679 | C | S | . | * | P | Polyproline II helix | trans | -61.5 | 144.3 | -176.6 | -22.4 | 34.2 | 0 | 0 | 0 | 111 | Y206 H212 L214 | Y206-P208 HydrophobicContact CD1-CG 4.32Å; Y206-P208 HydrophobicContact CE1-CB 4.27Å; Y206-P208 HydrophobicContact CE1-CG 4.07Å; Y206-P208 WeakPolarHBondContact O-CD 3.23Å; P208-H212 HydrophobicContact CB-CB 3.88Å; P208-H212 WeakPolarHBondContact CB-O 3.38Å; P208-L214 HydrophobicContact CG-CD1 3.68Å; P208-L214 HydrophobicContact CG-CD2 4.46Å; P208-L214 HydrophobicContact CG-CG 3.65Å |
| 209 | P | 71.8 | Confident | 68.7 | Low | 74 Ų | 74 | 119.9 Ų | 119.9 | 48% | 0.481 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -54.9 | 147.7 | 172.4 | -24.4 | 34.2 | 0 | 0 | 0 | 111.5 | G211 H212 | P209-G211 PolarHBondContact O-N 2.87Å; P209-H212 VanDerWaalsContact O-CB 3.3Å; P209-H212 WeakPolarHBondContact O-CB 3.47Å; P209-H212 PolarHBondContact O-N 3.01Å; P209-H212 PolarHBondContact O-ND1 2.86Å |
| 210 | A | 62.2 | Low | 70.8 | Confident | 103 Ų | 103 | 119 Ų | 119 | 85% | 0.851 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49 | 133.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112 | H212 | A210-H212 PolarHBondContact O-ND1 3.15Š|
| 211 | G | 74.6 | Confident | 73.3 | Confident | 88 Ų | 88 | 115.7 Ų | 115.7 | 91% | 0.907 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 90.6 | -11.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | P209 | P209-G211 PolarHBondContact O-N 2.87Š|
| 212 | H | 75.3 | Confident | 75.9 | Confident | 128 Ų | 128 | 112.4 Ų | 112.4 | 59% | 0.593 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 122.8 | -179.5 | -59.7 | 68.9 | 0 | 0 | 0 | 110.8 | P208 P209 A210 | P208-H212 HydrophobicContact CB-CB 3.88Å; P208-H212 WeakPolarHBondContact CB-O 3.38Å; P209-H212 VanDerWaalsContact O-CB 3.3Å; P209-H212 WeakPolarHBondContact O-CB 3.47Å; P209-H212 PolarHBondContact O-N 3.01Å; P209-H212 PolarHBondContact O-ND1 2.86Å; A210-H212 PolarHBondContact O-ND1 3.15Å |
| 213 | R | 82.9 | Confident | 78 | Confident | 225 Ų | 225 | 112.3 Ų | 112.3 | 85% | 0.849 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 135.9 | 171.7 | 172.8 | 175.8 | -80.7 | -177.2 | -3.3 | 109.2 | V215 | R213-V215 HydrophobicContact CG-CG2 4.48Å; R213-V215 PolarHBondContact O-N 3.38Å |
| 214 | L | 78.4 | Confident | 80.2 | Confident | 122 Ų | 122 | 106.7 Ų | 106.7 | 64% | 0.639 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -69 | 118.6 | 164.1 | -78.1 | 156.4 | 0 | 0 | 0 | 108.5 | Y206 P208 | Y206-L214 HydrophobicContact CD1-CD2 4.36Å; Y206-L214 HydrophobicContact CE1-CD2 4.46Å; P208-L214 HydrophobicContact CG-CD1 3.68Å; P208-L214 HydrophobicContact CG-CD2 4.46Å; P208-L214 HydrophobicContact CG-CG 3.65Å |
| 215 | V | 86.1 | Confident | 82.2 | Confident | 66 Ų | 66 | 105 Ų | 105 | 40% | 0.4 | 58% | 0.577 | S | S | . | * | trans | -105.2 | 138 | 179.4 | -177.8 | 0 | 0 | 0 | 0 | 107.5 | R213 D219 W220 | R213-V215 HydrophobicContact CG-CG2 4.48Å; R213-V215 PolarHBondContact O-N 3.38Å; V215-D219 HydrophobicContact CG1-CB 3.49Å; V215-D219 VanDerWaalsContact CG1-CB 3.49Å; V215-W220 HydrophobicContact CG1-CB 4.06Å | ||
| 216 | T | 88.7 | Confident | 83.9 | Confident | 68 Ų | 68 | 103.8 Ų | 103.8 | 42% | 0.417 | 57% | 0.568 | S | S | . | * | trans | -70.5 | 158 | 176 | 72.1 | 0 | 0 | 0 | 0 | 110.2 | S218 D219 W220 | T216-S218 VanDerWaalsContact C-N 3.27Å; T216-S218 PolarHBondContact O-N 2.95Å; T216-S218 PolarHBondContact OG1-OG 2.94Å; T216-D219 WeakPolarHBondContact CB-OD2 3.31Å; T216-D219 WeakPolarHBondContact CG2-OD2 3.43Å; T216-D219 PolarHBondContact O-N 2.75Å; T216-D219 VanDerWaalsContact O-N 3.16Å; T216-D219 WeakPolarHBondContact OG1-CB 3.48Å; T216-D219 PolarHBondContact OG1-N 2.89Å; T216-D219 VanDerWaalsContact OG1-N 3.13Å; T216-D219 PolarHBondContact OG1-OD2 3.39Å; T216-W220 WeakPolarHBondContact O-CB 3.45Å; T216-W220 PolarHBondContact O-N 3.43Å | ||
| 217 | H | 90.2 | Very high | 85.1 | Confident | 166 Ų | 166 | 100.8 Ų | 100.8 | 77% | 0.769 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -57.7 | -41.1 | 177.6 | -75.8 | -70 | 0 | 0 | 0 | 112.2 | D219 W220 D221 | H217-D219 PolarHBondContact O-N 2.87Å; H217-W220 PolarHBondContact O-N 3.46Å; H217-D221 WeakPolarHBondContact O-CB 3.36Å; H217-D221 VanDerWaalsContact O-CG 3.24Å; H217-D221 PolarHBondContact O-N 3.19Å |
| 218 | S | 91.4 | Very high | 86.4 | Confident | 82 Ų | 82 | 97 Ų | 97 | 57% | 0.573 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64 | -39.1 | 175.2 | 43.5 | 0 | 0 | 0 | 0 | 113.9 | T216 A222 | T216-S218 VanDerWaalsContact C-N 3.27Å; T216-S218 PolarHBondContact O-N 2.95Å; T216-S218 PolarHBondContact OG1-OG 2.94Å; S218-A222 WeakPolarHBondContact O-CB 3.33Å; S218-A222 PolarHBondContact O-N 3.24Å |
| 219 | D | 92.1 | Very high | 87.7 | Confident | 86 Ų | 86 | 101.5 Ų | 101.5 | 46% | 0.46 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -70.7 | -36 | 176.3 | -61.9 | -39.9 | 0 | 0 | 0 | 111 | V215 T216 H217 M223 | V215-D219 HydrophobicContact CG1-CB 3.49Å; V215-D219 VanDerWaalsContact CG1-CB 3.49Å; T216-D219 WeakPolarHBondContact CB-OD2 3.31Å; T216-D219 WeakPolarHBondContact CG2-OD2 3.43Å; T216-D219 PolarHBondContact O-N 2.75Å; T216-D219 VanDerWaalsContact O-N 3.16Å; T216-D219 WeakPolarHBondContact OG1-CB 3.48Å; T216-D219 PolarHBondContact OG1-N 2.89Å; T216-D219 VanDerWaalsContact OG1-N 3.13Å; T216-D219 PolarHBondContact OG1-OD2 3.39Å; H217-D219 PolarHBondContact O-N 2.87Å; D219-M223 WeakPolarHBondContact O-CB 3.32Å; D219-M223 VanDerWaalsContact O-CG 3.32Å; D219-M223 WeakPolarHBondContact O-CG 3.26Å; D219-M223 PolarHBondContact O-N 3.46Å |
| 220 | W | 91.4 | Very high | 88.9 | Confident | 135 Ų | 135 | 103.2 Ų | 103.2 | 51% | 0.511 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.5 | -47.2 | 175.3 | -174.1 | 98.1 | 0 | 0 | 0 | 110.6 | V215 T216 H217 A222 M223 N224 | V215-W220 HydrophobicContact CG1-CB 4.06Å; T216-W220 WeakPolarHBondContact O-CB 3.45Å; T216-W220 PolarHBondContact O-N 3.43Å; H217-W220 PolarHBondContact O-N 3.46Å; W220-A222 VanDerWaalsContact C-N 3.33Å; W220-A222 PolarHBondContact O-N 3.41Å; W220-M223 PolarHBondContact O-N 3.32Å; W220-N224 HydrophobicContact CD2-CB 4.46Å; W220-N224 HydrophobicContact CE3-CB 4.09Å; W220-N224 HydrophobicContact CH2-CB 4.1Å; W220-N224 WeakPolarHBondContact CH2-ND2 3.45Å; W220-N224 HydrophobicContact CZ2-CB 4.45Å; W220-N224 HydrophobicContact CZ3-CB 3.9Å; W220-N224 VanDerWaalsContact O-CB 3.22Å; W220-N224 WeakPolarHBondContact O-CB 3.49Å; W220-N224 PolarHBondContact O-N 3.32Å |
| 221 | D | 94.9 | Very high | 90.6 | Very high | 94 Ų | 94 | 106.7 Ų | 106.7 | 50% | 0.503 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.6 | -42.5 | 177.1 | -71.6 | -33.3 | 0 | 0 | 0 | 111.1 | H217 N224 A225 | H217-D221 WeakPolarHBondContact O-CB 3.36Å; H217-D221 VanDerWaalsContact O-CG 3.24Å; H217-D221 PolarHBondContact O-N 3.19Å; D221-N224 PolarHBondContact O-N 3.5Å; D221-A225 WeakPolarHBondContact O-CB 3.46Å; D221-A225 PolarHBondContact O-N 2.93Å |
| 222 | A | 94.5 | Very high | 91.7 | Very high | 53 Ų | 53 | 104.3 Ų | 104.3 | 44% | 0.438 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64 | -46.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | S218 W220 N224 A225 Q226 | S218-A222 WeakPolarHBondContact O-CB 3.33Å; S218-A222 PolarHBondContact O-N 3.24Å; W220-A222 VanDerWaalsContact C-N 3.33Å; W220-A222 PolarHBondContact O-N 3.41Å; A222-N224 VanDerWaalsContact C-N 3.32Å; A222-N224 PolarHBondContact O-N 3.4Å; A222-A225 PolarHBondContact O-N 3.4Å; A222-Q226 WeakPolarHBondContact O-CG 3.46Å; A222-Q226 PolarHBondContact O-N 2.91Å |
| 223 | M | 91.8 | Very high | 92.7 | Very high | 107 Ų | 107 | 101.5 Ų | 101.5 | 53% | 0.527 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.4 | -39.1 | 174.5 | -75.2 | -178.5 | 65.2 | 0 | 0 | 111.8 | D219 W220 Q226 L227 | D219-M223 WeakPolarHBondContact O-CB 3.32Å; D219-M223 VanDerWaalsContact O-CG 3.32Å; D219-M223 WeakPolarHBondContact O-CG 3.26Å; D219-M223 PolarHBondContact O-N 3.46Å; W220-M223 PolarHBondContact O-N 3.32Å; M223-Q226 PolarHBondContact O-N 3.29Å; M223-L227 WeakPolarHBondContact O-CB 3.45Å; M223-L227 VanDerWaalsContact O-CG 3.31Å; M223-L227 WeakPolarHBondContact O-CG 3.48Å; M223-L227 PolarHBondContact O-N 3Å |
| 224 | N | 93.6 | Very high | 93.4 | Very high | 65 Ų | 65 | 95.1 Ų | 95.1 | 35% | 0.348 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -75.5 | -29.2 | -177.6 | -154.1 | 49.7 | 0 | 0 | 0 | 112.1 | W220 D221 A222 S228 | W220-N224 HydrophobicContact CD2-CB 4.46Å; W220-N224 HydrophobicContact CE3-CB 4.09Å; W220-N224 HydrophobicContact CH2-CB 4.1Å; W220-N224 WeakPolarHBondContact CH2-ND2 3.45Å; W220-N224 HydrophobicContact CZ2-CB 4.45Å; W220-N224 HydrophobicContact CZ3-CB 3.9Å; W220-N224 VanDerWaalsContact O-CB 3.22Å; W220-N224 WeakPolarHBondContact O-CB 3.49Å; W220-N224 PolarHBondContact O-N 3.32Å; D221-N224 PolarHBondContact O-N 3.5Å; A222-N224 VanDerWaalsContact C-N 3.32Å; A222-N224 PolarHBondContact O-N 3.4Å; N224-S228 WeakPolarHBondContact O-CB 3.4Å; N224-S228 PolarHBondContact O-N 3.5Å; N224-S228 PolarHBondContact O-OG 3.11Å |
| 225 | A | 96 | Very high | 94.3 | Very high | 58 Ų | 58 | 92.8 Ų | 92.8 | 48% | 0.479 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.5 | -48.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | D221 A222 L227 S228 E229 | D221-A225 WeakPolarHBondContact O-CB 3.46Å; D221-A225 PolarHBondContact O-N 2.93Å; A222-A225 PolarHBondContact O-N 3.4Å; A225-L227 VanDerWaalsContact C-N 3.35Å; A225-L227 PolarHBondContact O-N 3.14Å; A225-S228 WeakPolarHBondContact O-CA 3.24Å; A225-S228 WeakPolarHBondContact O-CB 3.49Å; A225-S228 PolarHBondContact O-N 3.31Å; A225-E229 PolarHBondContact O-N 3.1Å |
| 226 | Q | 96.2 | Very high | 94.9 | Very high | 120 Ų | 120 | 95.3 Ų | 95.3 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.8 | -40.3 | 175.4 | -72.4 | 176.6 | -15.2 | 0 | 0 | 112.6 | A222 M223 S228 E229 L230 | A222-Q226 WeakPolarHBondContact O-CG 3.46Å; A222-Q226 PolarHBondContact O-N 2.91Å; M223-Q226 PolarHBondContact O-N 3.29Å; Q226-S228 PolarHBondContact O-N 2.82Å; Q226-E229 PolarHBondContact O-N 2.93Å; Q226-L230 WeakPolarHBondContact O-CB 3.35Å; Q226-L230 VanDerWaalsContact O-CG 3.3Å; Q226-L230 WeakPolarHBondContact O-CG 3.48Å; Q226-L230 PolarHBondContact O-N 3.01Å |
| 227 | L | 96.1 | Very high | 95.2 | Very high | 93 Ų | 93 | 96.7 Ų | 96.7 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.9 | -26.9 | 173.6 | -73.7 | 171.9 | 0 | 0 | 0 | 112.9 | M223 A225 R231 | M223-L227 WeakPolarHBondContact O-CB 3.45Å; M223-L227 VanDerWaalsContact O-CG 3.31Å; M223-L227 WeakPolarHBondContact O-CG 3.48Å; M223-L227 PolarHBondContact O-N 3Å; A225-L227 VanDerWaalsContact C-N 3.35Å; A225-L227 PolarHBondContact O-N 3.14Å; L227-R231 WeakPolarHBondContact O-CB 3.25Å; L227-R231 PolarHBondContact O-N 3.2Å |
| 228 | S | 97.6 | Very high | 95.6 | Very high | 70 Ų | 70 | 94 Ų | 94 | 49% | 0.49 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -79.6 | -39.5 | 175.8 | -59.3 | 0 | 0 | 0 | 0 | 111.7 | N224 A225 Q226 R231 G232 | N224-S228 WeakPolarHBondContact O-CB 3.4Å; N224-S228 PolarHBondContact O-N 3.5Å; N224-S228 PolarHBondContact O-OG 3.11Å; A225-S228 WeakPolarHBondContact O-CA 3.24Å; A225-S228 WeakPolarHBondContact O-CB 3.49Å; A225-S228 PolarHBondContact O-N 3.31Å; Q226-S228 PolarHBondContact O-N 2.82Å; S228-R231 PolarHBondContact O-N 3.31Å; S228-G232 PolarHBondContact O-N 2.98Å |
| 229 | E | 97 | Very high | 95.8 | Very high | 128 Ų | 128 | 92.8 Ų | 92.8 | 60% | 0.598 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.4 | -56.3 | 172.3 | -175.1 | 172.2 | -153.9 | 0 | 0 | 110.6 | A225 Q226 R231 G232 E233 | A225-E229 PolarHBondContact O-N 3.1Å; Q226-E229 PolarHBondContact O-N 2.93Å; E229-R231 PolarHBondContact O-N 3.31Å; E229-R231 VanDerWaalsContact O-N 3.15Å; E229-G232 CarbonylContact O-C 3.56Å; E229-G232 VanDerWaalsContact O-CA 3.29Å; E229-G232 WeakPolarHBondContact O-CA 3.46Å; E229-G232 PolarHBondContact O-N 2.96Å; E229-E233 PolarHBondContact O-N 2.67Å |
| 230 | L | 96 | Very high | 96.1 | Very high | 110 Ų | 110 | 92.9 Ų | 92.9 | 58% | 0.576 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -56.3 | -34.8 | 175.9 | -70.9 | 170.9 | 0 | 0 | 0 | 113 | Q226 V234 | Q226-L230 WeakPolarHBondContact O-CB 3.35Å; Q226-L230 VanDerWaalsContact O-CG 3.3Å; Q226-L230 WeakPolarHBondContact O-CG 3.48Å; Q226-L230 PolarHBondContact O-N 3.01Å; L230-V234 WeakPolarHBondContact O-CB 3.05Å; L230-V234 VanDerWaalsContact O-CG2 3.29Å; L230-V234 WeakPolarHBondContact O-CG2 3.42Å; L230-V234 PolarHBondContact O-N 3.16Å |
| 231 | R | 97.5 | Very high | 96.3 | Very high | 176 Ų | 176 | 91.7 Ų | 91.7 | 66% | 0.664 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -68.9 | -36.2 | 173.7 | -177.9 | -178.8 | -57.5 | -77.4 | -3.7 | 112.1 | L227 S228 E229 S235 | L227-R231 WeakPolarHBondContact O-CB 3.25Å; L227-R231 PolarHBondContact O-N 3.2Å; S228-R231 PolarHBondContact O-N 3.31Å; E229-R231 PolarHBondContact O-N 3.31Å; E229-R231 VanDerWaalsContact O-N 3.15Å; R231-S235 WeakPolarHBondContact O-CB 3.34Å; R231-S235 PolarHBondContact O-N 3.44Å; R231-S235 PolarHBondContact O-OG 2.91Å |
| 232 | G | 97.8 | Very high | 96.4 | Very high | 38 Ų | 38 | 91.8 Ų | 91.8 | 39% | 0.392 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.5 | -49.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S228 E229 V234 S235 R236 | S228-G232 PolarHBondContact O-N 2.98Å; E229-G232 CarbonylContact O-C 3.56Å; E229-G232 VanDerWaalsContact O-CA 3.29Å; E229-G232 WeakPolarHBondContact O-CA 3.46Å; E229-G232 PolarHBondContact O-N 2.96Å; G232-V234 PolarHBondContact O-N 2.88Å; G232-S235 PolarHBondContact O-N 2.88Å; G232-R236 WeakPolarHBondContact O-CB 3.47Å; G232-R236 PolarHBondContact O-N 3.01Å |
| 233 | E | 97.4 | Very high | 96.5 | Very high | 70 Ų | 70 | 93.2 Ų | 93.2 | 33% | 0.327 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -54 | -50.2 | 174 | -110.5 | 53.3 | -118.6 | 0 | 0 | 112.5 | E229 S235 R236 L237 | E229-E233 PolarHBondContact O-N 2.67Å; E233-S235 VanDerWaalsContact C-N 3.34Å; E233-S235 PolarHBondContact O-N 2.93Å; E233-R236 PolarHBondContact O-N 3.47Å; E233-R236 IonicContact OE1-CZ 3.55Å; E233-R236 IonicContact OE1-NE 3.4Å; E233-R236 PolarHBondContact OE1-NE 3.42Å; E233-R236 IonicContact OE1-NH2 2.67Å; E233-R236 PolarHBondContact OE1-NH2 2.71Å; E233-L237 WeakPolarHBondContact O-CB 3.39Å; E233-L237 WeakPolarHBondContact O-CG 3.37Å; E233-L237 PolarHBondContact O-N 2.93Å |
| 234 | V | 96.8 | Very high | 96.8 | Very high | 90 Ų | 90 | 93.5 Ų | 93.5 | 55% | 0.545 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62 | -41.5 | 177.6 | 168.8 | 0 | 0 | 0 | 0 | 111.3 | L230 G232 R236 Q238 | L230-V234 WeakPolarHBondContact O-CB 3.05Å; L230-V234 VanDerWaalsContact O-CG2 3.29Å; L230-V234 WeakPolarHBondContact O-CG2 3.42Å; L230-V234 PolarHBondContact O-N 3.16Å; G232-V234 PolarHBondContact O-N 2.88Å; V234-R236 VanDerWaalsContact C-N 3.34Å; V234-R236 PolarHBondContact O-N 3.02Å; V234-Q238 VanDerWaalsContact O-CB 3.26Å; V234-Q238 WeakPolarHBondContact O-CB 3.34Å; V234-Q238 PolarHBondContact O-N 3.45Å |
| 235 | S | 97.9 | Very high | 96.9 | Very high | 73 Ų | 73 | 94.7 Ų | 94.7 | 51% | 0.51 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.3 | -37.7 | 178 | -55.1 | 0 | 0 | 0 | 0 | 112 | R231 G232 E233 A239 | R231-S235 WeakPolarHBondContact O-CB 3.34Å; R231-S235 PolarHBondContact O-N 3.44Å; R231-S235 PolarHBondContact O-OG 2.91Å; G232-S235 PolarHBondContact O-N 2.88Å; E233-S235 VanDerWaalsContact C-N 3.34Å; E233-S235 PolarHBondContact O-N 2.93Å; S235-A239 PolarHBondContact O-N 2.94Å; S235-A239 VanDerWaalsContact O-N 3.1Å |
| 236 | R | 97.9 | Very high | 97 | Very high | 120 Ų | 120 | 97.8 Ų | 97.8 | 45% | 0.453 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.8 | -50.8 | 175.8 | 176.2 | 171.1 | 66.1 | 91.2 | -7.5 | 111.6 | G232 E233 V234 Q238 A239 E240 | G232-R236 WeakPolarHBondContact O-CB 3.47Å; G232-R236 PolarHBondContact O-N 3.01Å; E233-R236 PolarHBondContact O-N 3.47Å; E233-R236 IonicContact OE1-CZ 3.55Å; E233-R236 IonicContact OE1-NE 3.4Å; E233-R236 PolarHBondContact OE1-NE 3.42Å; E233-R236 IonicContact OE1-NH2 2.67Å; E233-R236 PolarHBondContact OE1-NH2 2.71Å; V234-R236 VanDerWaalsContact C-N 3.34Å; V234-R236 PolarHBondContact O-N 3.02Å; R236-Q238 PolarHBondContact O-N 3.42Å; R236-A239 PolarHBondContact O-N 3.48Å; R236-A239 VanDerWaalsContact O-N 3.11Å; R236-E240 HydrophobicContact CG-CG 4.48Å; R236-E240 VanDerWaalsContact CG-OE1 3.23Å; R236-E240 WeakPolarHBondContact CG-OE1 3.35Å; R236-E240 IonicContact CZ-OE1 3.69Å; R236-E240 IonicContact NH1-OE1 3.48Å; R236-E240 PolarHBondContact NH1-OE1 3.39Å; R236-E240 WeakPolarHBondContact O-CG 3.4Å; R236-E240 PolarHBondContact O-N 3.48Å |
| 237 | L | 95.6 | Very high | 97.1 | Very high | 97 Ų | 97 | 97.2 Ų | 97.2 | 51% | 0.508 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.5 | -34.7 | 177.4 | -71.6 | 171.3 | 0 | 0 | 0 | 111.9 | E233 K241 | E233-L237 WeakPolarHBondContact O-CB 3.39Å; E233-L237 WeakPolarHBondContact O-CG 3.37Å; E233-L237 PolarHBondContact O-N 2.93Å; L237-K241 WeakPolarHBondContact O-CB 3.29Å; L237-K241 PolarHBondContact O-N 2.85Å |
| 238 | Q | 97.2 | Very high | 97.1 | Very high | 109 Ų | 109 | 98 Ų | 98 | 51% | 0.509 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.5 | -40.5 | 174.8 | -174.5 | 166.5 | -18.7 | 0 | 0 | 112.1 | V234 R236 K241 E242 | V234-Q238 VanDerWaalsContact O-CB 3.26Å; V234-Q238 WeakPolarHBondContact O-CB 3.34Å; V234-Q238 PolarHBondContact O-N 3.45Å; R236-Q238 PolarHBondContact O-N 3.42Å; Q238-K241 WeakPolarHBondContact O-CB 3.48Å; Q238-K241 PolarHBondContact O-N 3Å; Q238-E242 PolarHBondContact NE2-OE1 2.85Å; Q238-E242 WeakPolarHBondContact O-CG 3.35Å; Q238-E242 PolarHBondContact O-N 3.42Å |
| 239 | A | 97.4 | Very high | 97 | Very high | 56 Ų | 56 | 99 Ų | 99 | 46% | 0.463 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.6 | -40.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S235 R236 K241 E242 E243 | S235-A239 PolarHBondContact O-N 2.94Å; S235-A239 VanDerWaalsContact O-N 3.1Å; R236-A239 PolarHBondContact O-N 3.48Å; R236-A239 VanDerWaalsContact O-N 3.11Å; A239-K241 VanDerWaalsContact C-N 3.34Å; A239-E242 PolarHBondContact O-N 3.45Å; A239-E243 PolarHBondContact O-N 2.73Å |
| 240 | E | 97.2 | Very high | 97.1 | Very high | 88 Ų | 88 | 96.7 Ų | 96.7 | 41% | 0.411 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 173.4 | -71.5 | 171.5 | -163.2 | 0 | 0 | 110.9 | R236 E243 L244 | R236-E240 HydrophobicContact CG-CG 4.48Å; R236-E240 VanDerWaalsContact CG-OE1 3.23Å; R236-E240 WeakPolarHBondContact CG-OE1 3.35Å; R236-E240 IonicContact CZ-OE1 3.69Å; R236-E240 IonicContact NH1-OE1 3.48Å; R236-E240 PolarHBondContact NH1-OE1 3.39Å; R236-E240 WeakPolarHBondContact O-CG 3.4Å; R236-E240 PolarHBondContact O-N 3.48Å; E240-E243 PolarHBondContact O-N 3.25Å; E240-L244 WeakPolarHBondContact O-CG 3.46Å; E240-L244 PolarHBondContact O-N 3.23Å |
| 241 | K | 94.9 | Very high | 97.1 | Very high | 111 Ų | 111 | 96.7 Ų | 96.7 | 48% | 0.483 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.7 | -47.8 | 172.7 | -175.4 | -168.1 | 174.2 | -95.8 | 0 | 112.1 | L237 Q238 A239 E243 L244 E245 | L237-K241 WeakPolarHBondContact O-CB 3.29Å; L237-K241 PolarHBondContact O-N 2.85Å; Q238-K241 WeakPolarHBondContact O-CB 3.48Å; Q238-K241 PolarHBondContact O-N 3Å; A239-K241 VanDerWaalsContact C-N 3.34Å; K241-E243 VanDerWaalsContact C-N 3.27Å; K241-E243 PolarHBondContact O-N 3.04Å; K241-L244 PolarHBondContact O-N 3.19Å; K241-E245 VanDerWaalsContact CE-OE1 3.29Å; K241-E245 WeakPolarHBondContact CE-OE1 3.28Å; K241-E245 HydrophobicContact CG-CG 4.45Å; K241-E245 IonicContact NZ-OE1 2.96Å; K241-E245 PolarHBondContact NZ-OE1 2.97Å; K241-E245 IonicContact NZ-OE2 3.64Å; K241-E245 PolarHBondContact NZ-OE2 2.71Å; K241-E245 WeakPolarHBondContact O-CG 3.29Å; K241-E245 PolarHBondContact O-N 3.15Å |
| 242 | E | 97.7 | Very high | 97.1 | Very high | 95 Ų | 95 | 91.2 Ų | 91.2 | 44% | 0.444 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.8 | -27 | 179.9 | -73.6 | 172.1 | -161.5 | 0 | 0 | 112.8 | Q238 A239 R246 | Q238-E242 PolarHBondContact NE2-OE1 2.85Å; Q238-E242 WeakPolarHBondContact O-CG 3.35Å; Q238-E242 PolarHBondContact O-N 3.42Å; A239-E242 PolarHBondContact O-N 3.45Å; E242-R246 WeakPolarHBondContact O-CG 3.39Å; E242-R246 PolarHBondContact O-N 2.94Å; E242-R246 PolarHBondContact O-NE 3.03Å; E242-R246 VanDerWaalsContact O-NE 3.14Å |
| 243 | E | 97.7 | Very high | 97.1 | Very high | 84 Ų | 84 | 94.9 Ų | 94.9 | 39% | 0.393 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.3 | -52.3 | 168.6 | -170.3 | 68.7 | -115.9 | 0 | 0 | 111.2 | A239 E240 K241 E245 R246 E247 | A239-E243 PolarHBondContact O-N 2.73Å; E240-E243 PolarHBondContact O-N 3.25Å; K241-E243 VanDerWaalsContact C-N 3.27Å; K241-E243 PolarHBondContact O-N 3.04Å; E243-E245 VanDerWaalsContact C-N 3.32Å; E243-E245 PolarHBondContact O-N 3.45Å; E243-R246 VanDerWaalsContact CD-NH1 3.27Å; E243-R246 CarbonylContact O-C 3.54Å; E243-R246 WeakPolarHBondContact O-CA 3.44Å; E243-R246 WeakPolarHBondContact O-CB 3.3Å; E243-R246 PolarHBondContact O-N 3.28Å; E243-R246 IonicContact OE1-CZ 3.51Å; E243-R246 IonicContact OE1-NH1 2.68Å; E243-R246 PolarHBondContact OE1-NH1 2.67Å; E243-R246 IonicContact OE1-NH2 3.93Å; E243-R246 PolarHBondContact OE1-NH2 2.69Å; E243-R246 IonicContact OE2-CZ 3.38Å; E243-R246 IonicContact OE2-NH1 3.31Å; E243-R246 PolarHBondContact OE2-NH1 3.35Å; E243-R246 IonicContact OE2-NH2 2.75Å; E243-R246 PolarHBondContact OE2-NH2 3.46Å; E243-E247 PolarHBondContact O-N 3.49Å |
| 244 | L | 96.6 | Very high | 97.1 | Very high | 112 Ų | 112 | 96.7 Ų | 96.7 | 59% | 0.586 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.5 | -37 | -179.7 | -68.8 | 171.2 | 0 | 0 | 0 | 112.9 | E240 K241 E247 L248 | E240-L244 WeakPolarHBondContact O-CG 3.46Å; E240-L244 PolarHBondContact O-N 3.23Å; K241-L244 PolarHBondContact O-N 3.19Å; L244-E247 PolarHBondContact O-N 3.14Å; L244-L248 WeakPolarHBondContact O-CB 3.49Å; L244-L248 PolarHBondContact O-N 2.95Å |
| 245 | E | 96.6 | Very high | 97.1 | Very high | 90 Ų | 90 | 94.7 Ų | 94.7 | 42% | 0.421 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 173.1 | -75 | 179.9 | 144.6 | 0 | 0 | 111.2 | K241 E243 L248 D249 | K241-E245 VanDerWaalsContact CE-OE1 3.29Å; K241-E245 WeakPolarHBondContact CE-OE1 3.28Å; K241-E245 HydrophobicContact CG-CG 4.45Å; K241-E245 IonicContact NZ-OE1 2.96Å; K241-E245 PolarHBondContact NZ-OE1 2.97Å; K241-E245 IonicContact NZ-OE2 3.64Å; K241-E245 PolarHBondContact NZ-OE2 2.71Å; K241-E245 WeakPolarHBondContact O-CG 3.29Å; K241-E245 PolarHBondContact O-N 3.15Å; E243-E245 VanDerWaalsContact C-N 3.32Å; E243-E245 PolarHBondContact O-N 3.45Å; E245-L248 PolarHBondContact O-N 3.22Å; E245-D249 WeakPolarHBondContact O-CB 3.31Å; E245-D249 PolarHBondContact O-N 3.45Å |
| 246 | R | 97.9 | Very high | 97.1 | Very high | 124 Ų | 124 | 97.3 Ų | 97.3 | 47% | 0.468 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.5 | -39.7 | 174.6 | -76.7 | -176.5 | -70.4 | 101 | -7.8 | 112.9 | E242 E243 D249 T250 | E242-R246 WeakPolarHBondContact O-CG 3.39Å; E242-R246 PolarHBondContact O-N 2.94Å; E242-R246 PolarHBondContact O-NE 3.03Å; E242-R246 VanDerWaalsContact O-NE 3.14Å; E243-R246 VanDerWaalsContact CD-NH1 3.27Å; E243-R246 CarbonylContact O-C 3.54Å; E243-R246 WeakPolarHBondContact O-CA 3.44Å; E243-R246 WeakPolarHBondContact O-CB 3.3Å; E243-R246 PolarHBondContact O-N 3.28Å; E243-R246 IonicContact OE1-CZ 3.51Å; E243-R246 IonicContact OE1-NH1 2.68Å; E243-R246 PolarHBondContact OE1-NH1 2.67Å; E243-R246 IonicContact OE1-NH2 3.93Å; E243-R246 PolarHBondContact OE1-NH2 2.69Å; E243-R246 IonicContact OE2-CZ 3.38Å; E243-R246 IonicContact OE2-NH1 3.31Å; E243-R246 PolarHBondContact OE2-NH1 3.35Å; E243-R246 IonicContact OE2-NH2 2.75Å; E243-R246 PolarHBondContact OE2-NH2 3.46Å; R246-D249 PolarHBondContact O-N 3.12Å; R246-T250 WeakPolarHBondContact O-CG2 3.44Å; R246-T250 PolarHBondContact O-N 2.98Å; R246-T250 PolarHBondContact O-OG1 2.97Å |
| 247 | E | 97.6 | Very high | 97.1 | Very high | 107 Ų | 107 | 98.4 Ų | 98.4 | 50% | 0.5 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.7 | -46.6 | 175.4 | -72 | -171.4 | 158.6 | 0 | 0 | 110.8 | E243 L244 D249 T250 H251 | E243-E247 PolarHBondContact O-N 3.49Å; L244-E247 PolarHBondContact O-N 3.14Å; E247-D249 PolarHBondContact O-N 3.38Å; E247-T250 PolarHBondContact O-N 3.37Å; E247-T250 VanDerWaalsContact O-N 3.17Å; E247-T250 PolarHBondContact O-OG1 3.24Å; E247-H251 PolarHBondContact O-N 3.35Å |
| 248 | L | 96.5 | Very high | 97.2 | Very high | 109 Ų | 109 | 99.7 Ų | 99.7 | 57% | 0.571 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -59.4 | -44.2 | 175.2 | -178.9 | 62.1 | 0 | 0 | 0 | 111.9 | L244 E245 H251 T252 | L244-L248 WeakPolarHBondContact O-CB 3.49Å; L244-L248 PolarHBondContact O-N 2.95Å; E245-L248 PolarHBondContact O-N 3.22Å; L248-H251 PolarHBondContact O-N 3.06Å; L248-T252 HydrophobicContact CD1-CG2 4.17Å; L248-T252 HydrophobicContact CG-CG2 4.47Å; L248-T252 WeakPolarHBondContact O-CB 3.43Å; L248-T252 WeakPolarHBondContact O-CG2 3.44Å; L248-T252 PolarHBondContact O-N 2.91Å; L248-T252 PolarHBondContact O-OG1 3.45Å |
| 249 | D | 96.9 | Very high | 97.2 | Very high | 93 Ų | 93 | 98.8 Ų | 98.8 | 50% | 0.497 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.7 | -46.5 | 173.6 | -85 | -15.7 | 0 | 0 | 0 | 111.4 | E245 R246 E247 H251 T252 H253 | E245-D249 WeakPolarHBondContact O-CB 3.31Å; E245-D249 PolarHBondContact O-N 3.45Å; R246-D249 PolarHBondContact O-N 3.12Å; E247-D249 PolarHBondContact O-N 3.38Å; D249-H251 VanDerWaalsContact C-N 3.34Å; D249-H251 PolarHBondContact O-N 2.85Å; D249-T252 WeakPolarHBondContact CA-OG1 3.28Å; D249-T252 PolarHBondContact O-N 2.97Å; D249-T252 PolarHBondContact O-OG1 3.22Å; D249-H253 WeakPolarHBondContact O-CB 3.46Å; D249-H253 PolarHBondContact O-N 3.38Å; D249-H253 PolarHBondContact O-ND1 3.4Å |
| 250 | T | 97.4 | Very high | 97.3 | Very high | 79 Ų | 79 | 98.3 Ų | 98.3 | 49% | 0.485 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64 | -39.1 | 178.9 | 63.5 | 0 | 0 | 0 | 0 | 112.4 | R246 E247 Q254 | R246-T250 WeakPolarHBondContact O-CG2 3.44Å; R246-T250 PolarHBondContact O-N 2.98Å; R246-T250 PolarHBondContact O-OG1 2.97Å; E247-T250 PolarHBondContact O-N 3.37Å; E247-T250 VanDerWaalsContact O-N 3.17Å; E247-T250 PolarHBondContact O-OG1 3.24Å; T250-Q254 WeakPolarHBondContact O-CB 3.49Å; T250-Q254 VanDerWaalsContact O-CG 3.23Å; T250-Q254 WeakPolarHBondContact O-CG 3.29Å; T250-Q254 PolarHBondContact O-N 2.96Å |
| 251 | H | 96.8 | Very high | 97.3 | Very high | 110 Ų | 110 | 99.3 Ų | 99.3 | 51% | 0.509 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.4 | -41.4 | 178.6 | -175.2 | -98.2 | 0 | 0 | 0 | 112.4 | E247 L248 D249 Q254 T255 | E247-H251 PolarHBondContact O-N 3.35Å; L248-H251 PolarHBondContact O-N 3.06Å; D249-H251 VanDerWaalsContact C-N 3.34Å; D249-H251 PolarHBondContact O-N 2.85Å; H251-Q254 PolarHBondContact O-N 2.92Å; H251-T255 WeakPolarHBondContact O-CG2 3.29Å; H251-T255 PolarHBondContact O-N 3.35Å; H251-T255 PolarHBondContact O-OG1 2.89Å |
| 252 | T | 96.8 | Very high | 97.5 | Very high | 60 Ų | 60 | 98.8 Ų | 98.8 | 37% | 0.368 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.8 | -40 | 174.4 | 51.9 | 0 | 0 | 0 | 0 | 111.7 | L248 D249 T255 H256 | L248-T252 HydrophobicContact CD1-CG2 4.17Å; L248-T252 HydrophobicContact CG-CG2 4.47Å; L248-T252 WeakPolarHBondContact O-CB 3.43Å; L248-T252 WeakPolarHBondContact O-CG2 3.44Å; L248-T252 PolarHBondContact O-N 2.91Å; L248-T252 PolarHBondContact O-OG1 3.45Å; D249-T252 WeakPolarHBondContact CA-OG1 3.28Å; D249-T252 PolarHBondContact O-N 2.97Å; D249-T252 PolarHBondContact O-OG1 3.22Å; T252-T255 WeakPolarHBondContact CA-OG1 3.47Å; T252-T255 PolarHBondContact O-OG1 3.37Å; T252-T255 VanDerWaalsContact O-OG1 3.05Å; T252-H256 VanDerWaalsContact O-CB 3.24Å; T252-H256 WeakPolarHBondContact O-CB 3.42Å; T252-H256 PolarHBondContact O-N 3.32Å |
| 253 | H | 98.2 | Very high | 97.5 | Very high | 116 Ų | 116 | 99.5 Ų | 99.5 | 54% | 0.537 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.2 | -36.7 | 173 | -75.5 | 83.9 | 0 | 0 | 0 | 113 | D249 K257 | D249-H253 WeakPolarHBondContact O-CB 3.46Å; D249-H253 PolarHBondContact O-N 3.38Å; D249-H253 PolarHBondContact O-ND1 3.4Å; H253-K257 WeakPolarHBondContact O-CD 3.42Å; H253-K257 VanDerWaalsContact O-CG 3.22Å; H253-K257 WeakPolarHBondContact O-CG 3.42Å; H253-K257 PolarHBondContact O-N 3.42Å; H253-K257 VanDerWaalsContact O-N 3.15Å |
| 254 | Q | 98.3 | Very high | 97.4 | Very high | 107 Ų | 107 | 98.6 Ų | 98.6 | 50% | 0.5 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69 | -47.8 | 176.7 | -75.8 | 174.7 | 35.7 | 0 | 0 | 112 | T250 H251 K257 Q258 | T250-Q254 WeakPolarHBondContact O-CB 3.49Å; T250-Q254 VanDerWaalsContact O-CG 3.23Å; T250-Q254 WeakPolarHBondContact O-CG 3.29Å; T250-Q254 PolarHBondContact O-N 2.96Å; H251-Q254 PolarHBondContact O-N 2.92Å; Q254-K257 WeakPolarHBondContact O-CB 3.3Å; Q254-K257 PolarHBondContact O-N 2.92Å; Q254-Q258 WeakPolarHBondContact O-CG 3.49Å; Q254-Q258 PolarHBondContact O-N 3.02Å |
| 255 | T | 96.2 | Very high | 97.5 | Very high | 49 Ų | 49 | 99 Ų | 99 | 30% | 0.301 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.9 | -42 | 176.8 | 48.9 | 0 | 0 | 0 | 0 | 111.5 | H251 T252 K257 Q258 V259 | H251-T255 WeakPolarHBondContact O-CG2 3.29Å; H251-T255 PolarHBondContact O-N 3.35Å; H251-T255 PolarHBondContact O-OG1 2.89Å; T252-T255 WeakPolarHBondContact CA-OG1 3.47Å; T252-T255 PolarHBondContact O-OG1 3.37Å; T252-T255 VanDerWaalsContact O-OG1 3.05Å; T255-K257 PolarHBondContact O-N 3.28Å; T255-Q258 PolarHBondContact O-N 3.45Å; T255-V259 WeakPolarHBondContact O-CG2 3.46Å; T255-V259 PolarHBondContact O-N 3.31Å |
| 256 | H | 98.2 | Very high | 97.6 | Very high | 128 Ų | 128 | 99 Ų | 99 | 59% | 0.593 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -58.7 | -44.1 | 174 | -172.7 | 73.4 | 0 | 0 | 0 | 112.1 | T252 Q258 V259 S260 | T252-H256 VanDerWaalsContact O-CB 3.24Å; T252-H256 WeakPolarHBondContact O-CB 3.42Å; T252-H256 PolarHBondContact O-N 3.32Å; H256-Q258 PolarHBondContact O-N 2.85Å; H256-V259 PolarHBondContact O-N 3.07Å; H256-S260 PolarHBondContact O-N 3.07Å; H256-S260 PolarHBondContact O-OG 3.38Å |
| 257 | K | 98.3 | Very high | 97.6 | Very high | 142 Ų | 142 | 98.1 Ų | 98.1 | 62% | 0.617 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.6 | -42.2 | 174.8 | -73.3 | 166 | -174.9 | 174.6 | 0 | 112.6 | H253 Q254 T255 S260 L261 | H253-K257 WeakPolarHBondContact O-CD 3.42Å; H253-K257 VanDerWaalsContact O-CG 3.22Å; H253-K257 WeakPolarHBondContact O-CG 3.42Å; H253-K257 PolarHBondContact O-N 3.42Å; H253-K257 VanDerWaalsContact O-N 3.15Å; Q254-K257 WeakPolarHBondContact O-CB 3.3Å; Q254-K257 PolarHBondContact O-N 2.92Å; T255-K257 PolarHBondContact O-N 3.28Å; K257-S260 PolarHBondContact O-N 3.14Å; K257-L261 WeakPolarHBondContact O-CB 3.44Å; K257-L261 PolarHBondContact O-N 3.31Å |
| 258 | Q | 97.6 | Very high | 97.6 | Very high | 125 Ų | 125 | 95.7 Ų | 95.7 | 58% | 0.584 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.2 | -45.8 | 176.7 | -70.7 | 176.1 | 1.8 | 0 | 0 | 111.5 | Q254 T255 H256 S260 L261 L262 | Q254-Q258 WeakPolarHBondContact O-CG 3.49Å; Q254-Q258 PolarHBondContact O-N 3.02Å; T255-Q258 PolarHBondContact O-N 3.45Å; H256-Q258 PolarHBondContact O-N 2.85Å; Q258-S260 PolarHBondContact O-N 2.93Å; Q258-L261 PolarHBondContact O-N 2.85Å; Q258-L262 WeakPolarHBondContact O-CG 3.36Å; Q258-L262 PolarHBondContact O-N 2.99Å |
| 259 | V | 97.7 | Very high | 97.6 | Very high | 89 Ų | 89 | 93.3 Ų | 93.3 | 54% | 0.539 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 176.2 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | T255 H256 L261 L262 Q263 | T255-V259 WeakPolarHBondContact O-CG2 3.46Å; T255-V259 PolarHBondContact O-N 3.31Å; H256-V259 PolarHBondContact O-N 3.07Å; V259-L261 VanDerWaalsContact C-N 3.35Å; V259-L261 PolarHBondContact O-N 3.15Å; V259-L262 PolarHBondContact O-N 2.88Å; V259-Q263 VanDerWaalsContact O-CB 3.25Å; V259-Q263 WeakPolarHBondContact O-CB 3.47Å; V259-Q263 PolarHBondContact O-N 2.92Å |
| 260 | S | 98.3 | Very high | 97.7 | Very high | 46 Ų | 46 | 93.9 Ų | 93.9 | 32% | 0.322 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 175.9 | -58.9 | 0 | 0 | 0 | 0 | 112.7 | H256 K257 Q258 Q263 S264 | H256-S260 PolarHBondContact O-N 3.07Å; H256-S260 PolarHBondContact O-OG 3.38Å; K257-S260 PolarHBondContact O-N 3.14Å; Q258-S260 PolarHBondContact O-N 2.93Å; S260-Q263 PolarHBondContact O-N 2.94Å; S260-S264 PolarHBondContact O-N 3.47Å |
| 261 | L | 98.4 | Very high | 97.7 | Very high | 110 Ų | 110 | 93.9 Ų | 93.9 | 58% | 0.576 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.4 | -47.9 | 178.2 | -172.7 | 139.7 | 0 | 0 | 0 | 111 | K257 Q258 V259 Q263 S264 Q265 | K257-L261 WeakPolarHBondContact O-CB 3.44Å; K257-L261 PolarHBondContact O-N 3.31Å; Q258-L261 PolarHBondContact O-N 2.85Å; V259-L261 VanDerWaalsContact C-N 3.35Å; V259-L261 PolarHBondContact O-N 3.15Å; L261-Q263 VanDerWaalsContact C-N 3.33Å; L261-Q263 PolarHBondContact O-N 3.44Å; L261-S264 PolarHBondContact O-N 2.79Å; L261-S264 PolarHBondContact O-OG 3.44Å; L261-Q265 PolarHBondContact O-N 2.96Å |
| 262 | L | 97.6 | Very high | 97.8 | Very high | 99 Ų | 99 | 93.8 Ų | 93.8 | 52% | 0.518 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60 | -41.6 | 174.4 | -70 | 172.9 | 0 | 0 | 0 | 111.9 | Q258 V259 S264 Q265 V266 | Q258-L262 WeakPolarHBondContact O-CG 3.36Å; Q258-L262 PolarHBondContact O-N 2.99Å; V259-L262 PolarHBondContact O-N 2.88Å; L262-S264 PolarHBondContact O-N 2.64Å; L262-Q265 PolarHBondContact O-N 3.39Å; L262-V266 WeakPolarHBondContact O-CG2 3.35Å; L262-V266 PolarHBondContact O-N 3.4Å |
| 263 | Q | 98.1 | Very high | 97.8 | Very high | 111 Ų | 111 | 96.3 Ų | 96.3 | 52% | 0.519 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 176.1 | -172.9 | 176.9 | 18.5 | 0 | 0 | 111.7 | V259 S260 L261 V266 Q267 | V259-Q263 VanDerWaalsContact O-CB 3.25Å; V259-Q263 WeakPolarHBondContact O-CB 3.47Å; V259-Q263 PolarHBondContact O-N 2.92Å; S260-Q263 PolarHBondContact O-N 2.94Å; L261-Q263 VanDerWaalsContact C-N 3.33Å; L261-Q263 PolarHBondContact O-N 3.44Å; Q263-V266 PolarHBondContact O-N 3.05Å; Q263-Q267 WeakPolarHBondContact O-CB 3.47Å; Q263-Q267 VanDerWaalsContact O-CG 3.3Å; Q263-Q267 WeakPolarHBondContact O-CG 3.38Å; Q263-Q267 PolarHBondContact O-N 2.94Å |
| 264 | S | 96.6 | Very high | 97.8 | Very high | 65 Ų | 65 | 94.6 Ų | 94.6 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.4 | -36.8 | 175.7 | 75.8 | 0 | 0 | 0 | 0 | 112.6 | S260 L261 L262 Q267 A268 | S260-S264 PolarHBondContact O-N 3.47Å; L261-S264 PolarHBondContact O-N 2.79Å; L261-S264 PolarHBondContact O-OG 3.44Å; L262-S264 PolarHBondContact O-N 2.64Å; S264-Q267 PolarHBondContact O-N 2.94Å; S264-A268 WeakPolarHBondContact O-CB 3.45Å; S264-A268 PolarHBondContact O-N 2.82Å |
| 265 | Q | 98.2 | Very high | 97.8 | Very high | 120 Ų | 120 | 93.5 Ų | 93.5 | 56% | 0.561 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.9 | -42 | 175.9 | -175.8 | 179.2 | 2.6 | 0 | 0 | 111.7 | L261 L262 A268 S269 | L261-Q265 PolarHBondContact O-N 2.96Å; L262-Q265 PolarHBondContact O-N 3.39Å; Q265-A268 PolarHBondContact O-N 3.49Å; Q265-S269 WeakPolarHBondContact O-CB 3.39Å; Q265-S269 PolarHBondContact O-N 3.37Å |
| 266 | V | 98 | Very high | 97.9 | Very high | 90 Ų | 90 | 95.9 Ų | 95.9 | 55% | 0.545 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.5 | -48.6 | 174.4 | 170.2 | 0 | 0 | 0 | 0 | 110.2 | L262 Q263 A268 S269 E270 | L262-V266 WeakPolarHBondContact O-CG2 3.35Å; L262-V266 PolarHBondContact O-N 3.4Å; Q263-V266 PolarHBondContact O-N 3.05Å; V266-A268 PolarHBondContact O-N 2.92Å; V266-S269 PolarHBondContact O-N 2.95Å; V266-S269 VanDerWaalsContact O-N 3.15Å; V266-S269 PolarHBondContact O-OG 3.41Å; V266-E270 PolarHBondContact O-N 3.45Å |
| 267 | Q | 98.3 | Very high | 97.9 | Very high | 106 Ų | 106 | 96.8 Ų | 96.8 | 50% | 0.495 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.1 | -44.5 | 176 | -73.5 | 172.1 | -1.5 | 0 | 0 | 112.2 | Q263 S264 S269 E270 T271 | Q263-Q267 WeakPolarHBondContact O-CB 3.47Å; Q263-Q267 VanDerWaalsContact O-CG 3.3Å; Q263-Q267 WeakPolarHBondContact O-CG 3.38Å; Q263-Q267 PolarHBondContact O-N 2.94Å; S264-Q267 PolarHBondContact O-N 2.94Å; Q267-S269 PolarHBondContact O-N 3.48Å; Q267-E270 PolarHBondContact O-N 2.96Å; Q267-T271 WeakPolarHBondContact O-CG2 3.47Å; Q267-T271 PolarHBondContact O-N 3.12Å; Q267-T271 PolarHBondContact O-OG1 2.8Å |
| 268 | A | 97.8 | Very high | 97.9 | Very high | 56 Ų | 56 | 94.6 Ų | 94.6 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60 | -45.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S264 Q265 V266 E270 T271 L272 | S264-A268 WeakPolarHBondContact O-CB 3.45Å; S264-A268 PolarHBondContact O-N 2.82Å; Q265-A268 PolarHBondContact O-N 3.49Å; V266-A268 PolarHBondContact O-N 2.92Å; A268-E270 VanDerWaalsContact C-N 3.32Å; A268-E270 PolarHBondContact O-N 3.17Å; A268-T271 PolarHBondContact O-N 3.45Å; A268-T271 PolarHBondContact O-OG1 3.34Å; A268-L272 PolarHBondContact O-N 2.89Å |
| 269 | S | 97.1 | Very high | 97.9 | Very high | 58 Ų | 58 | 91.3 Ų | 91.3 | 41% | 0.406 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.5 | -36.3 | 177 | 76.3 | 0 | 0 | 0 | 0 | 112.9 | Q265 V266 Q267 L272 L273 | Q265-S269 WeakPolarHBondContact O-CB 3.39Å; Q265-S269 PolarHBondContact O-N 3.37Å; V266-S269 PolarHBondContact O-N 2.95Å; V266-S269 VanDerWaalsContact O-N 3.15Å; V266-S269 PolarHBondContact O-OG 3.41Å; Q267-S269 PolarHBondContact O-N 3.48Å; S269-L272 PolarHBondContact O-N 3.3Å; S269-L273 VanDerWaalsContact O-CG 3.31Å; S269-L273 WeakPolarHBondContact O-CG 3.24Å; S269-L273 PolarHBondContact O-N 2.93Å |
| 270 | E | 98.1 | Very high | 97.9 | Very high | 106 Ų | 106 | 93.6 Ų | 93.6 | 50% | 0.495 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.7 | -46.7 | 176.9 | -165.5 | -170.3 | 157.7 | 0 | 0 | 111 | V266 Q267 A268 L272 L273 Q274 | V266-E270 PolarHBondContact O-N 3.45Å; Q267-E270 PolarHBondContact O-N 2.96Å; A268-E270 VanDerWaalsContact C-N 3.32Å; A268-E270 PolarHBondContact O-N 3.17Å; E270-L272 VanDerWaalsContact C-N 3.33Å; E270-L272 PolarHBondContact O-N 2.94Å; E270-L273 PolarHBondContact O-N 3.35Å; E270-Q274 WeakPolarHBondContact O-CG 3.43Å; E270-Q274 PolarHBondContact O-N 3.5Å; E270-Q274 PolarHBondContact OE1-NE2 3.47Å; E270-Q274 VanDerWaalsContact OE1-NE2 3.13Å |
| 271 | T | 97.6 | Very high | 97.9 | Very high | 78 Ų | 78 | 94.2 Ų | 94.2 | 48% | 0.479 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.6 | -41.3 | 176.2 | 57.9 | 0 | 0 | 0 | 0 | 112.2 | Q267 A268 L273 Q274 D275 | Q267-T271 WeakPolarHBondContact O-CG2 3.47Å; Q267-T271 PolarHBondContact O-N 3.12Å; Q267-T271 PolarHBondContact O-OG1 2.8Å; A268-T271 PolarHBondContact O-N 3.45Å; A268-T271 PolarHBondContact O-OG1 3.34Å; T271-L273 PolarHBondContact O-N 2.94Å; T271-Q274 PolarHBondContact O-N 3.49Å; T271-D275 PolarHBondContact O-N 2.89Å |
| 272 | L | 98.4 | Very high | 97.9 | Very high | 109 Ų | 109 | 95.2 Ų | 95.2 | 57% | 0.571 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.4 | -43.8 | 174.8 | -178 | 67.3 | 0 | 0 | 0 | 112 | A268 S269 E270 D275 L276 | A268-L272 PolarHBondContact O-N 2.89Å; S269-L272 PolarHBondContact O-N 3.3Å; E270-L272 VanDerWaalsContact C-N 3.33Å; E270-L272 PolarHBondContact O-N 2.94Å; L272-D275 PolarHBondContact O-N 3.34Å; L272-L276 HydrophobicContact CG-CD1 4.26Å; L272-L276 WeakPolarHBondContact O-CB 3.39Å; L272-L276 WeakPolarHBondContact O-CG 3.22Å; L272-L276 PolarHBondContact O-N 2.92Å |
| 273 | L | 97.9 | Very high | 97.8 | Very high | 112 Ų | 112 | 94 Ų | 94 | 59% | 0.586 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.9 | -39.7 | 176.5 | -73.7 | 171.8 | 0 | 0 | 0 | 112 | S269 E270 T271 D275 L276 Q277 | S269-L273 VanDerWaalsContact O-CG 3.31Å; S269-L273 WeakPolarHBondContact O-CG 3.24Å; S269-L273 PolarHBondContact O-N 2.93Å; E270-L273 PolarHBondContact O-N 3.35Å; T271-L273 PolarHBondContact O-N 2.94Å; L273-D275 VanDerWaalsContact C-N 3.33Å; L273-D275 PolarHBondContact O-N 3.01Å; L273-L276 PolarHBondContact O-N 2.73Å; L273-Q277 WeakPolarHBondContact O-CB 3.37Å; L273-Q277 PolarHBondContact O-N 3.38Å |
| 274 | Q | 98.3 | Very high | 97.8 | Very high | 80 Ų | 80 | 93.2 Ų | 93.2 | 37% | 0.374 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.8 | -39.2 | 174.4 | -69.5 | 177.1 | 20.3 | 0 | 0 | 111.8 | E270 T271 Q277 K278 | E270-Q274 WeakPolarHBondContact O-CG 3.43Å; E270-Q274 PolarHBondContact O-N 3.5Å; E270-Q274 PolarHBondContact OE1-NE2 3.47Å; E270-Q274 VanDerWaalsContact OE1-NE2 3.13Å; T271-Q274 PolarHBondContact O-N 3.49Å; Q274-Q277 PolarHBondContact O-N 2.94Å; Q274-K278 VanDerWaalsContact O-CG 3.24Å; Q274-K278 WeakPolarHBondContact O-CG 3.35Å; Q274-K278 PolarHBondContact O-N 3.31Å |
| 275 | D | 98.1 | Very high | 97.8 | Very high | 85 Ų | 85 | 93.5 Ų | 93.5 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -75.6 | -33.4 | 178.4 | -73.2 | -14.1 | 0 | 0 | 0 | 113 | T271 L272 L273 K278 S279 | T271-D275 PolarHBondContact O-N 2.89Å; L272-D275 PolarHBondContact O-N 3.34Å; L273-D275 VanDerWaalsContact C-N 3.33Å; L273-D275 PolarHBondContact O-N 3.01Å; D275-K278 PolarHBondContact O-N 2.85Å; D275-K278 WeakPolarHBondContact OD1-CD 3.45Å; D275-K278 WeakPolarHBondContact OD1-CE 3.46Å; D275-K278 IonicContact OD1-NZ 2.67Å; D275-K278 PolarHBondContact OD1-NZ 2.9Å; D275-S279 WeakPolarHBondContact O-CB 3.23Å; D275-S279 PolarHBondContact O-N 2.91Å; D275-S279 PolarHBondContact O-OG 2.85Å |
| 276 | L | 98.1 | Very high | 97.8 | Very high | 98 Ų | 98 | 90.3 Ų | 90.3 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 166.6 | -74.8 | 171.2 | 0 | 0 | 0 | 111.6 | L272 L273 S279 F280 | L272-L276 HydrophobicContact CG-CD1 4.26Å; L272-L276 WeakPolarHBondContact O-CB 3.39Å; L272-L276 WeakPolarHBondContact O-CG 3.22Å; L272-L276 PolarHBondContact O-N 2.92Å; L273-L276 PolarHBondContact O-N 2.73Å; L276-S279 WeakPolarHBondContact CA-OG 3.18Å; L276-S279 PolarHBondContact O-N 3.45Å; L276-S279 PolarHBondContact O-OG 2.88Å; L276-S279 VanDerWaalsContact O-OG 3.04Å; L276-F280 VanDerWaalsContact O-CB 3.29Å; L276-F280 WeakPolarHBondContact O-CB 3.33Å; L276-F280 PolarHBondContact O-N 3.29Å |
| 277 | Q | 97.8 | Very high | 97.7 | Very high | 147 Ų | 147 | 90.5 Ų | 90.5 | 69% | 0.687 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.9 | -42.8 | 175.4 | -178 | 177.3 | -15.8 | 0 | 0 | 111.9 | L273 Q274 S281 | L273-Q277 WeakPolarHBondContact O-CB 3.37Å; L273-Q277 PolarHBondContact O-N 3.38Å; Q274-Q277 PolarHBondContact O-N 2.94Å; Q277-S281 PolarHBondContact O-N 2.91Å |
| 278 | K | 98.1 | Very high | 97.7 | Very high | 96 Ų | 96 | 91 Ų | 91 | 42% | 0.417 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.2 | -52.9 | 174.8 | -70.8 | 164.1 | -150.8 | 159.7 | 0 | 111 | Q274 D275 F280 S281 Q282 | Q274-K278 VanDerWaalsContact O-CG 3.24Å; Q274-K278 WeakPolarHBondContact O-CG 3.35Å; Q274-K278 PolarHBondContact O-N 3.31Å; D275-K278 PolarHBondContact O-N 2.85Å; D275-K278 WeakPolarHBondContact OD1-CD 3.45Å; D275-K278 WeakPolarHBondContact OD1-CE 3.46Å; D275-K278 IonicContact OD1-NZ 2.67Å; D275-K278 PolarHBondContact OD1-NZ 2.9Å; K278-F280 VanDerWaalsContact C-N 3.34Å; K278-F280 PolarHBondContact O-N 2.88Å; K278-S281 PolarHBondContact O-N 3.25Å; K278-S281 VanDerWaalsContact O-N 3.13Å; K278-S281 PolarHBondContact O-OG 2.97Å; K278-Q282 WeakPolarHBondContact O-CG 3.45Å; K278-Q282 PolarHBondContact O-N 2.94Å |
| 279 | S | 98.1 | Very high | 97.7 | Very high | 57 Ų | 57 | 91.1 Ų | 91.1 | 40% | 0.399 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.4 | -36.3 | -179.2 | 57.8 | 0 | 0 | 0 | 0 | 112.8 | D275 L276 Q282 S283 | D275-S279 WeakPolarHBondContact O-CB 3.23Å; D275-S279 PolarHBondContact O-N 2.91Å; D275-S279 PolarHBondContact O-OG 2.85Å; L276-S279 WeakPolarHBondContact CA-OG 3.18Å; L276-S279 PolarHBondContact O-N 3.45Å; L276-S279 PolarHBondContact O-OG 2.88Å; L276-S279 VanDerWaalsContact O-OG 3.04Å; S279-Q282 PolarHBondContact O-N 3.36Å; S279-S283 WeakPolarHBondContact O-CB 3.4Å; S279-S283 PolarHBondContact O-N 2.87Å |
| 280 | F | 97.8 | Very high | 97.6 | Very high | 136 Ų | 136 | 96.8 Ų | 96.8 | 60% | 0.596 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.2 | -46.6 | 170.9 | -179 | -96.5 | 0 | 0 | 0 | 111.8 | L276 K278 Q282 S283 Q284 | L276-F280 VanDerWaalsContact O-CB 3.29Å; L276-F280 WeakPolarHBondContact O-CB 3.33Å; L276-F280 PolarHBondContact O-N 3.29Å; K278-F280 VanDerWaalsContact C-N 3.34Å; K278-F280 PolarHBondContact O-N 2.88Å; F280-Q282 VanDerWaalsContact C-N 3.32Å; F280-Q282 PolarHBondContact O-N 2.97Å; F280-S283 PolarHBondContact O-N 3.27Å; F280-Q284 VanDerWaalsContact O-CB 3.29Å; F280-Q284 WeakPolarHBondContact O-CB 3.31Å; F280-Q284 PolarHBondContact O-N 2.9Å |
| 281 | S | 97.6 | Very high | 97.6 | Very high | 60 Ų | 60 | 97.5 Ų | 97.5 | 42% | 0.42 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63 | -37.1 | 177.9 | 75.4 | 0 | 0 | 0 | 0 | 112.8 | Q277 K278 S285 | Q277-S281 PolarHBondContact O-N 2.91Å; K278-S281 PolarHBondContact O-N 3.25Å; K278-S281 VanDerWaalsContact O-N 3.13Å; K278-S281 PolarHBondContact O-OG 2.97Å; S281-S285 WeakPolarHBondContact O-CB 3.4Å; S281-S285 PolarHBondContact O-N 3.41Å |
| 282 | Q | 97.9 | Very high | 97.5 | Very high | 131 Ų | 131 | 96.5 Ų | 96.5 | 61% | 0.612 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67 | -47 | 175.2 | -69.1 | 168.3 | 7 | 0 | 0 | 111.5 | K278 S279 F280 S285 A286 | K278-Q282 WeakPolarHBondContact O-CG 3.45Å; K278-Q282 PolarHBondContact O-N 2.94Å; S279-Q282 PolarHBondContact O-N 3.36Å; F280-Q282 VanDerWaalsContact C-N 3.32Å; F280-Q282 PolarHBondContact O-N 2.97Å; Q282-S285 PolarHBondContact O-N 3.3Å; Q282-A286 WeakPolarHBondContact O-CB 3.4Å; Q282-A286 PolarHBondContact O-N 2.92Å |
| 283 | S | 96.1 | Very high | 97.4 | Very high | 72 Ų | 72 | 96.7 Ų | 96.7 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 176 | -176.2 | 0 | 0 | 0 | 0 | 111.6 | S279 F280 S285 A286 V287 | S279-S283 WeakPolarHBondContact O-CB 3.4Å; S279-S283 PolarHBondContact O-N 2.87Å; F280-S283 PolarHBondContact O-N 3.27Å; S283-S285 PolarHBondContact O-N 3.44Å; S283-A286 PolarHBondContact O-N 3.44Å; S283-V287 WeakPolarHBondContact O-CG2 3.49Å; S283-V287 PolarHBondContact O-N 2.92Å |
| 284 | Q | 97.8 | Very high | 97.3 | Very high | 96 Ų | 96 | 96.6 Ų | 96.6 | 45% | 0.449 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.1 | -46.1 | 175.1 | -174.4 | -178.6 | 42.9 | 0 | 0 | 111.7 | F280 V287 Q288 | F280-Q284 VanDerWaalsContact O-CB 3.29Å; F280-Q284 WeakPolarHBondContact O-CB 3.31Å; F280-Q284 PolarHBondContact O-N 2.9Å; Q284-V287 PolarHBondContact O-N 3.35Å; Q284-Q288 VanDerWaalsContact O-CG 3.31Å; Q284-Q288 WeakPolarHBondContact O-CG 3.38Å; Q284-Q288 PolarHBondContact O-N 3.28Å |
| 285 | S | 97.2 | Very high | 97.2 | Very high | 71 Ų | 71 | 95 Ų | 95 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 176.5 | -174.3 | 0 | 0 | 0 | 0 | 112.2 | S281 Q282 S283 V287 Q288 S289 | S281-S285 WeakPolarHBondContact O-CB 3.4Å; S281-S285 PolarHBondContact O-N 3.41Å; Q282-S285 PolarHBondContact O-N 3.3Å; S283-S285 PolarHBondContact O-N 3.44Å; S285-V287 PolarHBondContact O-N 3.08Å; S285-Q288 WeakPolarHBondContact O-CB 3.48Å; S285-Q288 PolarHBondContact O-N 3.01Å; S285-S289 PolarHBondContact O-N 3.47Å |
| 286 | A | 97.4 | Very high | 97.1 | Very high | 53 Ų | 53 | 94.8 Ų | 94.8 | 44% | 0.438 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q282 S283 S289 R290 | Q282-A286 WeakPolarHBondContact O-CB 3.4Å; Q282-A286 PolarHBondContact O-N 2.92Å; S283-A286 PolarHBondContact O-N 3.44Å; A286-S289 PolarHBondContact O-N 3.33Å; A286-R290 PolarHBondContact O-N 2.91Å |
| 287 | V | 96.8 | Very high | 96.8 | Very high | 93 Ų | 93 | 93 Ų | 93 | 56% | 0.564 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.8 | -40.4 | 173.7 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | S283 Q284 S285 R290 L291 | S283-V287 WeakPolarHBondContact O-CG2 3.49Å; S283-V287 PolarHBondContact O-N 2.92Å; Q284-V287 PolarHBondContact O-N 3.35Å; S285-V287 PolarHBondContact O-N 3.08Å; V287-R290 PolarHBondContact O-N 2.89Å; V287-L291 WeakPolarHBondContact O-CB 3.5Å; V287-L291 PolarHBondContact O-N 2.97Å |
| 288 | Q | 97.6 | Very high | 96.6 | Very high | 116 Ų | 116 | 91.8 Ų | 91.8 | 54% | 0.542 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.7 | -41.4 | 174.6 | -73.3 | 172.7 | 2.7 | 0 | 0 | 112.1 | Q284 S285 L291 A292 | Q284-Q288 VanDerWaalsContact O-CG 3.31Å; Q284-Q288 WeakPolarHBondContact O-CG 3.38Å; Q284-Q288 PolarHBondContact O-N 3.28Å; S285-Q288 WeakPolarHBondContact O-CB 3.48Å; S285-Q288 PolarHBondContact O-N 3.01Å; Q288-L291 PolarHBondContact O-N 3.28Å; Q288-A292 WeakPolarHBondContact O-CB 2.82Å; Q288-A292 PolarHBondContact O-N 2.82Å |
| 289 | S | 97.4 | Very high | 96.4 | Very high | 60 Ų | 60 | 94.1 Ų | 94.1 | 42% | 0.42 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.5 | -51.1 | 173.7 | -167.2 | 0 | 0 | 0 | 0 | 111.5 | S285 A286 L291 A292 E293 | S285-S289 PolarHBondContact O-N 3.47Å; A286-S289 PolarHBondContact O-N 3.33Å; S289-L291 VanDerWaalsContact C-N 3.29Å; S289-L291 PolarHBondContact O-N 2.91Å; S289-A292 WeakPolarHBondContact O-CB 3.41Å; S289-A292 PolarHBondContact O-N 3.09Å; S289-E293 WeakPolarHBondContact O-CG 3.49Å; S289-E293 PolarHBondContact O-N 3.15Å; S289-E293 PolarHBondContact OG-OE1 3.48Å |
| 290 | R | 96.6 | Very high | 96.2 | Very high | 176 Ų | 176 | 97.9 Ų | 97.9 | 66% | 0.664 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59 | -38.8 | 177.9 | -75.8 | -176.7 | 173.3 | -173.6 | -0.3 | 112.6 | A286 V287 E293 L294 | A286-R290 PolarHBondContact O-N 2.91Å; V287-R290 PolarHBondContact O-N 2.89Å; R290-E293 PolarHBondContact O-N 3.26Å; R290-L294 WeakPolarHBondContact O-CB 3.22Å; R290-L294 VanDerWaalsContact O-CG 3.27Å; R290-L294 WeakPolarHBondContact O-CG 3.38Å; R290-L294 PolarHBondContact O-N 3.4Å |
| 291 | L | 96.5 | Very high | 95.9 | Very high | 122 Ų | 122 | 95.8 Ų | 95.8 | 64% | 0.639 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.1 | -40.6 | 175.5 | -177.3 | 62 | 0 | 0 | 0 | 111.8 | V287 Q288 S289 L294 S295 | V287-L291 WeakPolarHBondContact O-CB 3.5Å; V287-L291 PolarHBondContact O-N 2.97Å; Q288-L291 PolarHBondContact O-N 3.28Å; S289-L291 VanDerWaalsContact C-N 3.29Å; S289-L291 PolarHBondContact O-N 2.91Å; L291-L294 PolarHBondContact O-N 2.84Å; L291-S295 WeakPolarHBondContact O-CB 3.34Å; L291-S295 PolarHBondContact O-N 3.42Å |
| 292 | A | 96 | Very high | 95.4 | Very high | 56 Ų | 56 | 95.7 Ų | 95.7 | 46% | 0.463 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.7 | -46.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q288 S289 S295 L296 | Q288-A292 WeakPolarHBondContact O-CB 2.82Å; Q288-A292 PolarHBondContact O-N 2.82Å; S289-A292 WeakPolarHBondContact O-CB 3.41Å; S289-A292 PolarHBondContact O-N 3.09Å; A292-S295 PolarHBondContact O-N 2.9Å; A292-S295 PolarHBondContact O-OG 3.4Å; A292-L296 WeakPolarHBondContact O-CB 3.32Å; A292-L296 PolarHBondContact O-N 3.06Å |
| 293 | E | 97.1 | Very high | 94.8 | Very high | 113 Ų | 113 | 93.3 Ų | 93.3 | 53% | 0.528 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.8 | -47.6 | 174.8 | -71.5 | 160.9 | -134.4 | 0 | 0 | 111.9 | S289 R290 L296 S297 | S289-E293 WeakPolarHBondContact O-CG 3.49Å; S289-E293 PolarHBondContact O-N 3.15Å; S289-E293 PolarHBondContact OG-OE1 3.48Å; R290-E293 PolarHBondContact O-N 3.26Å; E293-L296 PolarHBondContact O-N 2.76Å; E293-S297 PolarHBondContact O-N 3.45Å |
| 294 | L | 96.3 | Very high | 94.6 | Very high | 111 Ų | 111 | 94 Ų | 94 | 58% | 0.581 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.8 | -42.1 | 175.4 | -74.7 | 172.4 | 0 | 0 | 0 | 112.2 | R290 L291 L296 S297 Q298 | R290-L294 WeakPolarHBondContact O-CB 3.22Å; R290-L294 VanDerWaalsContact O-CG 3.27Å; R290-L294 WeakPolarHBondContact O-CG 3.38Å; R290-L294 PolarHBondContact O-N 3.4Å; L291-L294 PolarHBondContact O-N 2.84Å; L294-L296 PolarHBondContact O-N 2.94Å; L294-S297 PolarHBondContact O-N 3.19Å; L294-S297 PolarHBondContact O-OG 2.93Å; L294-Q298 VanDerWaalsContact O-CB 3.31Å; L294-Q298 WeakPolarHBondContact O-CB 3.41Å; L294-Q298 PolarHBondContact O-N 3.05Å |
| 295 | S | 94.7 | Very high | 93.9 | Very high | 47 Ų | 47 | 94.3 Ų | 94.3 | 33% | 0.329 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.2 | -33 | 176.3 | 83.9 | 0 | 0 | 0 | 0 | 112.2 | L291 A292 R299 | L291-S295 WeakPolarHBondContact O-CB 3.34Å; L291-S295 PolarHBondContact O-N 3.42Å; A292-S295 PolarHBondContact O-N 2.9Å; A292-S295 PolarHBondContact O-OG 3.4Å; S295-R299 WeakPolarHBondContact O-CB 3.17Å; S295-R299 PolarHBondContact O-N 3.48Å |
| 296 | L | 95.5 | Very high | 93.2 | Very high | 80 Ų | 80 | 95.3 Ų | 95.3 | 42% | 0.419 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -78.5 | -38.8 | 179.9 | -167.7 | 153.3 | 0 | 0 | 0 | 111.1 | A292 E293 L294 R299 K300 | A292-L296 WeakPolarHBondContact O-CB 3.32Å; A292-L296 PolarHBondContact O-N 3.06Å; E293-L296 PolarHBondContact O-N 2.76Å; L294-L296 PolarHBondContact O-N 2.94Å; L296-R299 PolarHBondContact O-N 3.23Å; L296-K300 HydrophobicContact CD2-CD 3.84Å; L296-K300 VanDerWaalsContact CD2-CE 3.45Å; L296-K300 HydrophobicContact CD2-CG 4.36Å; L296-K300 WeakPolarHBondContact O-CG 3.49Å; L296-K300 PolarHBondContact O-N 3.02Å |
| 297 | S | 93.6 | Very high | 92.4 | Very high | 60 Ų | 60 | 98.9 Ų | 98.9 | 42% | 0.42 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.7 | -41.8 | 173 | 74.2 | 0 | 0 | 0 | 0 | 111.7 | E293 L294 R299 K300 M301 | E293-S297 PolarHBondContact O-N 3.45Å; L294-S297 PolarHBondContact O-N 3.19Å; L294-S297 PolarHBondContact O-OG 2.93Å; S297-R299 PolarHBondContact O-N 3.25Å; S297-K300 PolarHBondContact O-N 3.15Å; S297-M301 WeakPolarHBondContact O-CB 3.41Å; S297-M301 PolarHBondContact O-N 3.41Å |
| 298 | Q | 93.3 | Very high | 91.2 | Very high | 121 Ų | 121 | 98.9 Ų | 98.9 | 57% | 0.565 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59 | -47.8 | 172.9 | -174.2 | -174.1 | 11.6 | 0 | 0 | 111 | L294 K300 M301 C302 | L294-Q298 VanDerWaalsContact O-CB 3.31Å; L294-Q298 WeakPolarHBondContact O-CB 3.41Å; L294-Q298 PolarHBondContact O-N 3.05Å; Q298-K300 PolarHBondContact O-N 3.49Å; Q298-M301 HydrophobicContact CG-CE 4.17Å; Q298-M301 PolarHBondContact O-N 2.95Å; Q298-C302 PolarHBondContact O-N 3.21Å; Q298-C302 PolarHBondContact O-SG 3.07Å |
| 299 | R | 93.8 | Very high | 90 | Very high | 146 Ų | 146 | 102 Ų | 102 | 55% | 0.551 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.2 | -45 | 178.1 | -167.5 | -178.2 | -57.3 | 101.7 | 7.7 | 111.8 | S295 L296 S297 C302 C303 | S295-R299 WeakPolarHBondContact O-CB 3.17Å; S295-R299 PolarHBondContact O-N 3.48Å; L296-R299 PolarHBondContact O-N 3.23Å; S297-R299 PolarHBondContact O-N 3.25Å; R299-C302 PolarHBondContact O-N 2.93Å; R299-C303 PolarHBondContact O-N 3.09Å; R299-C303 PolarHBondContact O-SG 2.95Å |
| 300 | K | 93.3 | Very high | 88.2 | Confident | 135 Ų | 135 | 102.7 Ų | 102.7 | 59% | 0.587 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -58.6 | -48.9 | 173.9 | -77.6 | 176.5 | 173.3 | 173.5 | 0 | 111.6 | L296 S297 Q298 C302 C303 E304 | L296-K300 HydrophobicContact CD2-CD 3.84Å; L296-K300 VanDerWaalsContact CD2-CE 3.45Å; L296-K300 HydrophobicContact CD2-CG 4.36Å; L296-K300 WeakPolarHBondContact O-CG 3.49Å; L296-K300 PolarHBondContact O-N 3.02Å; S297-K300 PolarHBondContact O-N 3.15Å; Q298-K300 PolarHBondContact O-N 3.49Å; K300-C302 VanDerWaalsContact C-N 3.35Å; K300-C302 PolarHBondContact O-N 2.98Å; K300-C303 WeakPolarHBondContact O-CB 3.22Å; K300-C303 PolarHBondContact O-N 3.3Å; K300-C303 VanDerWaalsContact O-N 3.12Å; K300-E304 WeakPolarHBondContact O-CG 3.26Å; K300-E304 PolarHBondContact O-N 2.98Å |
| 301 | M | 91.6 | Very high | 86 | Confident | 92 Ų | 92 | 101 Ų | 101 | 45% | 0.453 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.8 | -41.9 | 177.6 | 173.1 | -84.6 | -70.1 | 0 | 0 | 112 | S297 Q298 C303 E304 L305 | S297-M301 WeakPolarHBondContact O-CB 3.41Å; S297-M301 PolarHBondContact O-N 3.41Å; Q298-M301 HydrophobicContact CG-CE 4.17Å; Q298-M301 PolarHBondContact O-N 2.95Å; M301-C303 VanDerWaalsContact C-N 3.33Å; M301-C303 PolarHBondContact O-N 3.25Å; M301-E304 PolarHBondContact O-N 2.76Å; M301-L305 HydrophobicContact CG-CD1 4.46Å; M301-L305 WeakPolarHBondContact O-CB 3.47Å; M301-L305 WeakPolarHBondContact O-CG 3.24Å; M301-L305 PolarHBondContact O-N 2.85Å; M301-L305 HydrophobicContact SD-CD1 3.42Å; M301-L305 WeakPolarHBondContact SD-CD1 3.45Å; M301-L305 HydrophobicContact SD-CG 4.01Å |
| 302 | C | 86.2 | Confident | 83.4 | Confident | 59 Ų | 59 | 103.6 Ų | 103.6 | 40% | 0.399 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.1 | -36.8 | 174.6 | -66.9 | 0 | 0 | 0 | 0 | 112.7 | Q298 R299 K300 S306 | Q298-C302 PolarHBondContact O-N 3.21Å; Q298-C302 PolarHBondContact O-SG 3.07Å; R299-C302 PolarHBondContact O-N 2.93Å; K300-C302 VanDerWaalsContact C-N 3.35Å; K300-C302 PolarHBondContact O-N 2.98Å; C302-S306 WeakPolarHBondContact O-CB 3.3Å; C302-S306 PolarHBondContact O-N 3.09Å; C302-S306 PolarHBondContact O-OG 2.98Å |
| 303 | C | 86.4 | Confident | 81 | Confident | 81 Ų | 81 | 107.6 Ų | 107.6 | 55% | 0.547 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.1 | -44.7 | 172.8 | -65.9 | 0 | 0 | 0 | 0 | 111.9 | R299 K300 M301 S306 R307 | R299-C303 PolarHBondContact O-N 3.09Å; R299-C303 PolarHBondContact O-SG 2.95Å; K300-C303 WeakPolarHBondContact O-CB 3.22Å; K300-C303 PolarHBondContact O-N 3.3Å; K300-C303 VanDerWaalsContact O-N 3.12Å; M301-C303 VanDerWaalsContact C-N 3.33Å; M301-C303 PolarHBondContact O-N 3.25Å; C303-S306 WeakPolarHBondContact O-CB 3.39Å; C303-S306 PolarHBondContact O-N 3.32Å; C303-R307 PolarHBondContact O-N 3.06Å |
| 304 | E | 91.4 | Very high | 78.1 | Confident | 87 Ų | 87 | 109.1 Ų | 109.1 | 41% | 0.407 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.9 | -44.7 | 177.8 | -68.8 | -66.6 | 125.7 | 0 | 0 | 112.1 | K300 M301 S306 R307 L308 | K300-E304 WeakPolarHBondContact O-CG 3.26Å; K300-E304 PolarHBondContact O-N 2.98Å; M301-E304 PolarHBondContact O-N 2.76Å; E304-S306 VanDerWaalsContact C-N 3.27Å; E304-S306 PolarHBondContact O-N 2.96Å; E304-R307 WeakPolarHBondContact O-CB 3.46Å; E304-R307 PolarHBondContact O-N 3.5Å; E304-R307 VanDerWaalsContact O-N 3.1Å; E304-R307 IonicContact OE1-CZ 3.17Å; E304-R307 IonicContact OE1-NH1 3.84Å; E304-R307 PolarHBondContact OE1-NH1 3.41Å; E304-R307 IonicContact OE1-NH2 2.97Å; E304-R307 IonicContact OE2-CZ 3.59Å; E304-R307 IonicContact OE2-NH1 2.66Å; E304-R307 PolarHBondContact OE2-NH1 3.03Å; E304-R307 IonicContact OE2-NH2 3.92Å; E304-R307 PolarHBondContact OE2-NH2 2.91Å; E304-L308 PolarHBondContact O-N 3.31Å |
| 305 | L | 83.6 | Confident | 75.3 | Confident | 102 Ų | 102 | 111 Ų | 111 | 53% | 0.534 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.6 | -35.8 | 173 | -73.3 | -176.7 | 0 | 0 | 0 | 112.2 | M301 R307 K309 | M301-L305 HydrophobicContact CG-CD1 4.46Å; M301-L305 WeakPolarHBondContact O-CB 3.47Å; M301-L305 WeakPolarHBondContact O-CG 3.24Å; M301-L305 PolarHBondContact O-N 2.85Å; M301-L305 HydrophobicContact SD-CD1 3.42Å; M301-L305 WeakPolarHBondContact SD-CD1 3.45Å; M301-L305 HydrophobicContact SD-CG 4.01Å; L305-R307 VanDerWaalsContact C-N 3.3Å; L305-K309 VanDerWaalsContact O-CB 3.23Å; L305-K309 WeakPolarHBondContact O-CB 3.25Å; L305-K309 PolarHBondContact O-N 2.84Å |
| 306 | S | 81.6 | Confident | 72.6 | Confident | 92 Ų | 92 | 113.2 Ų | 113.2 | 64% | 0.643 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.9 | -29.6 | 175.6 | -58.1 | 0 | 0 | 0 | 0 | 112.2 | C302 C303 E304 | C302-S306 WeakPolarHBondContact O-CB 3.3Å; C302-S306 PolarHBondContact O-N 3.09Å; C302-S306 PolarHBondContact O-OG 2.98Å; C303-S306 WeakPolarHBondContact O-CB 3.39Å; C303-S306 PolarHBondContact O-N 3.32Å; E304-S306 VanDerWaalsContact C-N 3.27Å; E304-S306 PolarHBondContact O-N 2.96Å |
| 307 | R | 80.4 | Confident | 69.9 | Low | 128 Ų | 128 | 116.4 Ų | 116.4 | 48% | 0.483 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -72.4 | -53.2 | 171.6 | -167.5 | -179.9 | 75.1 | -120.9 | -10.1 | 111.1 | C303 E304 L305 K309 G310 | C303-R307 PolarHBondContact O-N 3.06Å; E304-R307 WeakPolarHBondContact O-CB 3.46Å; E304-R307 PolarHBondContact O-N 3.5Å; E304-R307 VanDerWaalsContact O-N 3.1Å; E304-R307 IonicContact OE1-CZ 3.17Å; E304-R307 IonicContact OE1-NH1 3.84Å; E304-R307 PolarHBondContact OE1-NH1 3.41Å; E304-R307 IonicContact OE1-NH2 2.97Å; E304-R307 IonicContact OE2-CZ 3.59Å; E304-R307 IonicContact OE2-NH1 2.66Å; E304-R307 PolarHBondContact OE2-NH1 3.03Å; E304-R307 IonicContact OE2-NH2 3.92Å; E304-R307 PolarHBondContact OE2-NH2 2.91Å; L305-R307 VanDerWaalsContact C-N 3.3Å; R307-K309 VanDerWaalsContact C-N 3.31Å; R307-K309 PolarHBondContact O-N 3.35Å; R307-G310 WeakPolarHBondContact O-CA 3.34Å; R307-G310 PolarHBondContact O-N 3.05Å |
| 308 | L | 73.6 | Confident | 67.7 | Low | 92 Ų | 92 | 118.9 Ų | 118.9 | 48% | 0.482 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -61.1 | -35.9 | -178.6 | -70.4 | 173 | 0 | 0 | 0 | 112.9 | E304 G310 E311 | E304-L308 PolarHBondContact O-N 3.31Å; L308-G310 PolarHBondContact O-N 3.35Å; L308-E311 CarbonylContact O-C 3.36Å; L308-E311 WeakPolarHBondContact O-CA 3.46Å; L308-E311 PolarHBondContact O-N 2.99Å |
| 309 | K | 70.3 | Confident | 65 | Low | 183 Ų | 183 | 119.8 Ų | 119.8 | 80% | 0.796 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -18.2 | 173.4 | -173.4 | 175.7 | 176.8 | -175.5 | 0 | 113.5 | L305 R307 E311 | L305-K309 VanDerWaalsContact O-CB 3.23Å; L305-K309 WeakPolarHBondContact O-CB 3.25Å; L305-K309 PolarHBondContact O-N 2.84Å; R307-K309 VanDerWaalsContact C-N 3.31Å; R307-K309 PolarHBondContact O-N 3.35Å; K309-E311 VanDerWaalsContact C-N 3.33Å |
| 310 | G | 60.1 | Low | 62.6 | Low | 73 Ų | 73 | 118.2 Ų | 118.2 | 75% | 0.753 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -3.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R307 L308 | R307-G310 WeakPolarHBondContact O-CA 3.34Å; R307-G310 PolarHBondContact O-N 3.05Å; L308-G310 PolarHBondContact O-N 3.35Å |
| 311 | E | 50.4 | Low | 60.1 | Low | 141 Ų | 141 | 119.7 Ų | 119.7 | 66% | 0.659 | 66% | 0.658 | S | S | * | * | trans | -132.9 | 50.9 | -168.7 | -162.3 | 156.4 | -171.2 | 0 | 0 | 110.6 | L308 K309 | L308-E311 CarbonylContact O-C 3.36Å; L308-E311 WeakPolarHBondContact O-CA 3.46Å; L308-E311 PolarHBondContact O-N 2.99Å; K309-E311 VanDerWaalsContact C-N 3.33Å | ||
| 312 | E | 41.9 | Very low | 58 | Low | 177 Ų | 177 | 119.8 Ų | 119.8 | 83% | 0.827 | 67% | 0.668 | S | S | * | * | trans | -105.7 | 83 | 167.5 | -80.3 | -136.8 | -172.1 | 0 | 0 | 110.9 | ||||
| 313 | V | 46.8 | Very low | 56 | Low | 139 Ų | 139 | 121.9 Ų | 121.9 | 84% | 0.842 | 68% | 0.683 | S | S | * | * | trans | -140.2 | 122.1 | 152.4 | -179.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 314 | D | 35.5 | Very low | 54.1 | Low | 145 Ų | 145 | 125.1 Ų | 125.1 | 78% | 0.775 | 69% | 0.694 | S | S | * | * | trans | 102.4 | 152.3 | 155.5 | -127.4 | -8.5 | 0 | 0 | 0 | 121.5 | ||||
| 315 | E | 38.3 | Very low | 52.2 | Low | 152 Ų | 152 | 123.9 Ų | 123.9 | 71% | 0.71 | 70% | 0.695 | S | S | * | * | trans | 72.2 | 78.9 | 167.3 | -72.2 | -73.3 | 89.3 | 0 | 0 | 119.8 | ||||
| 316 | S | 36.9 | Very low | 50.7 | Low | 92 Ų | 92 | 122.7 Ų | 122.7 | 64% | 0.643 | 70% | 0.695 | S | S | * | * | 45 | 122 | 106.7 | -48 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 317 | L | 39.4 | Very low | 49.3 | Very low | 147 Ų | 147 | 121.9 Ų | 121.9 | 77% | 0.77 | 69% | 0.694 | S | S | * | * | trans | -18.8 | 152.2 | 150.9 | -92.8 | 92.9 | 0 | 0 | 0 | 117.8 | ||||
| 318 | P | 46.4 | Very low | 48.1 | Very low | 113 Ų | 113 | 122.2 Ų | 122.2 | 73% | 0.734 | 70% | 0.701 | S | S | * | * | -149.6 | 163.7 | 51.1 | 39 | -18.4 | 0 | 0 | 0 | 120.3 | S320 | P318-S320 PolarHBondContact O-N 2.91Š| |||
| 319 | D | 37.4 | Very low | 47.3 | Very low | 139 Ų | 139 | 123.4 Ų | 123.4 | 74% | 0.743 | 70% | 0.704 | S | S | * | * | trans | -55.8 | 124 | 163.2 | -67.7 | -70.6 | 0 | 0 | 0 | 113.1 | ||||
| 320 | S | 44 | Very low | 47 | Very low | 113 Ų | 113 | 116.5 Ų | 116.5 | 79% | 0.79 | 69% | 0.685 | S | S | * | * | trans | -161.1 | 27.6 | 165.3 | -82.6 | 0 | 0 | 0 | 0 | 114.9 | P318 | P318-S320 PolarHBondContact O-N 2.91Š| ||
| 321 | M | 39.5 | Very low | 47.6 | Very low | 166 Ų | 166 | 115.7 Ų | 115.7 | 82% | 0.818 | 67% | 0.671 | S | S | * | * | trans | -129.9 | 12.2 | -174.8 | -78.7 | -114.7 | -80.7 | 0 | 0 | 115.8 | S325 | M321-S325 PolarHBondContact O-OG 2.88Š| ||
| 322 | S | 46.8 | Very low | 48.9 | Very low | 95 Ų | 95 | 114.9 Ų | 114.9 | 66% | 0.664 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -6.5 | -173.3 | 49.7 | 0 | 0 | 0 | 0 | 116.1 | ||
| 323 | S | 45.5 | Very low | 50.9 | Low | 103 Ų | 103 | 108.5 Ų | 108.5 | 72% | 0.72 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.4 | -14.8 | -174.2 | -52.7 | 0 | 0 | 0 | 0 | 116.2 | ||
| 324 | L | 46.4 | Very low | 52.6 | Low | 149 Ų | 149 | 106.8 Ų | 106.8 | 78% | 0.78 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -29.3 | 172.1 | -76.3 | 166.2 | 0 | 0 | 0 | 112.3 | S326 | L324-S326 VanDerWaalsContact C-N 3.34Å; L324-S326 PolarHBondContact O-N 3.44Å |
| 325 | S | 51.6 | Low | 55 | Low | 60 Ų | 60 | 104 Ų | 104 | 42% | 0.42 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -67.3 | -29.9 | -178.3 | 45 | 0 | 0 | 0 | 0 | 113.2 | M321 A327 H329 | M321-S325 PolarHBondContact O-OG 2.88Å; S325-A327 PolarHBondContact O-N 3.3Å; S325-H329 WeakPolarHBondContact O-CB 3.49Å; S325-H329 PolarHBondContact O-N 3.27Å |
| 326 | S | 52.2 | Low | 57.5 | Low | 77 Ų | 77 | 103.2 Ų | 103.2 | 54% | 0.538 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.2 | -40.1 | -179.9 | 52.7 | 0 | 0 | 0 | 0 | 113.8 | L324 G330 | L324-S326 VanDerWaalsContact C-N 3.34Å; L324-S326 PolarHBondContact O-N 3.44Å; S326-G330 PolarHBondContact O-N 3.01Å |
| 327 | A | 52.1 | Low | 60.2 | Low | 76 Ų | 76 | 103.8 Ų | 103.8 | 63% | 0.628 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -72.3 | -43.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S325 G330 A331 | S325-A327 PolarHBondContact O-N 3.3Å; A327-G330 PolarHBondContact O-N 3.25Å; A327-A331 PolarHBondContact O-N 3.48Å |
| 328 | Q | 55.2 | Low | 62.7 | Low | 135 Ų | 135 | 102.4 Ų | 102.4 | 63% | 0.631 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -68.6 | -38.6 | 174.5 | -76.1 | 178.5 | -30 | 0 | 0 | 112 | G330 A331 H332 | Q328-G330 VanDerWaalsContact C-N 3.31Å; Q328-G330 PolarHBondContact O-N 3.45Å; Q328-A331 PolarHBondContact O-N 3.01Å; Q328-H332 PolarHBondContact O-CD2 3.43Å; Q328-H332 PolarHBondContact O-N 2.88Å |
| 329 | H | 57.1 | Low | 65 | Low | 116 Ų | 116 | 102 Ų | 102 | 54% | 0.537 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.6 | -38.1 | 175 | -167.6 | 89.2 | 0 | 0 | 0 | 111.4 | S325 H332 C333 | S325-H329 WeakPolarHBondContact O-CB 3.49Å; S325-H329 PolarHBondContact O-N 3.27Å; H329-H332 PolarHBondContact O-N 3.49Å; H329-C333 VanDerWaalsContact CD2-SG 3.59Å; H329-C333 WeakPolarHBondContact O-CB 3.42Å; H329-C333 PolarHBondContact O-N 2.89Å; H329-C333 PolarHBondContact O-SG 3.4Å |
| 330 | G | 64.3 | Low | 67.7 | Low | 38 Ų | 38 | 100.7 Ų | 100.7 | 39% | 0.392 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -56.5 | -52.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S326 A327 Q328 H332 C333 E334 | S326-G330 PolarHBondContact O-N 3.01Å; A327-G330 PolarHBondContact O-N 3.25Å; Q328-G330 VanDerWaalsContact C-N 3.31Å; Q328-G330 PolarHBondContact O-N 3.45Å; G330-H332 PolarHBondContact O-N 3.33Å; G330-C333 WeakPolarHBondContact O-CB 3.48Å; G330-C333 PolarHBondContact O-N 3.32Å; G330-C333 VanDerWaalsContact O-N 3.14Å; G330-E334 PolarHBondContact O-N 3.37Å |
| 331 | A | 70.9 | Confident | 70.1 | Confident | 56 Ų | 56 | 99.5 Ų | 99.5 | 46% | 0.463 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A327 Q328 C333 E334 E335 | A327-A331 PolarHBondContact O-N 3.48Å; Q328-A331 PolarHBondContact O-N 3.01Å; A331-C333 VanDerWaalsContact C-N 3.34Å; A331-C333 PolarHBondContact O-N 2.99Å; A331-E334 PolarHBondContact O-N 3.49Å; A331-E335 WeakPolarHBondContact O-CB 3.28Å; A331-E335 PolarHBondContact O-N 2.97Å |
| 332 | H | 79.3 | Confident | 72.7 | Confident | 125 Ų | 125 | 95.1 Ų | 95.1 | 58% | 0.579 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -70.5 | -26 | 174.3 | -76.1 | -62.8 | 0 | 0 | 0 | 113.6 | Q328 H329 G330 R336 | Q328-H332 PolarHBondContact O-CD2 3.43Å; Q328-H332 PolarHBondContact O-N 2.88Å; H329-H332 PolarHBondContact O-N 3.49Å; G330-H332 PolarHBondContact O-N 3.33Å; H332-R336 WeakPolarHBondContact O-CB 3.24Å; H332-R336 VanDerWaalsContact O-CG 3.31Å; H332-R336 WeakPolarHBondContact O-CG 3.41Å; H332-R336 PolarHBondContact O-N 2.89Å; H332-R336 PolarHBondContact O-NE 2.95Å |
| 333 | C | 82.6 | Confident | 75.1 | Confident | 43 Ų | 43 | 94.2 Ų | 94.2 | 29% | 0.291 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -72.8 | -42.8 | 169.7 | -74.7 | 0 | 0 | 0 | 0 | 111.3 | H329 G330 A331 R336 L337 | H329-C333 VanDerWaalsContact CD2-SG 3.59Å; H329-C333 WeakPolarHBondContact O-CB 3.42Å; H329-C333 PolarHBondContact O-N 2.89Å; H329-C333 PolarHBondContact O-SG 3.4Å; G330-C333 WeakPolarHBondContact O-CB 3.48Å; G330-C333 PolarHBondContact O-N 3.32Å; G330-C333 VanDerWaalsContact O-N 3.14Å; A331-C333 VanDerWaalsContact C-N 3.34Å; A331-C333 PolarHBondContact O-N 2.99Å; C333-R336 PolarHBondContact O-N 2.96Å; C333-R336 PolarHBondContact SG-NH2 2.81Å; C333-L337 WeakPolarHBondContact O-CG 3.46Å; C333-L337 PolarHBondContact O-N 2.86Å |
| 334 | E | 83.8 | Confident | 77.5 | Confident | 103 Ų | 103 | 94 Ų | 94 | 48% | 0.481 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 176.3 | -166.3 | -174 | 171.8 | 0 | 0 | 111.5 | G330 A331 R336 L337 R338 | G330-E334 PolarHBondContact O-N 3.37Å; A331-E334 PolarHBondContact O-N 3.49Å; E334-R336 VanDerWaalsContact C-N 3.35Å; E334-R336 PolarHBondContact O-N 3.31Å; E334-L337 PolarHBondContact O-N 3.42Å; E334-R338 WeakPolarHBondContact O-CG 3.4Å; E334-R338 PolarHBondContact O-N 3.01Å; E334-R338 IonicContact OE1-CZ 2.69Å; E334-R338 IonicContact OE1-NE 2.64Å; E334-R338 IonicContact OE1-NH2 3.46Å; E334-R338 PolarHBondContact OE1-NH2 3.34Å; E334-R338 IonicContact OE2-NH2 3.35Å |
| 335 | E | 86.3 | Confident | 79.8 | Confident | 86 Ų | 86 | 94.5 Ų | 94.5 | 40% | 0.402 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.4 | -37 | 177.9 | -166.5 | 58.8 | -153.9 | 0 | 0 | 112.4 | A331 R338 I339 | A331-E335 WeakPolarHBondContact O-CB 3.28Å; A331-E335 PolarHBondContact O-N 2.97Å; E335-R338 PolarHBondContact O-N 2.92Å; E335-R338 WeakPolarHBondContact OE2-CD 3.36Å; E335-R338 IonicContact OE2-CZ 3.43Å; E335-R338 IonicContact OE2-NE 2.79Å; E335-R338 IonicContact OE2-NH1 3.46Å; E335-R338 PolarHBondContact OE2-NH1 3.48Å; E335-I339 HydrophobicContact CG-CD1 4.35Å; E335-I339 WeakPolarHBondContact O-CG1 3.32Å; E335-I339 PolarHBondContact O-N 3.08Å |
| 336 | R | 90.2 | Very high | 81.9 | Confident | 136 Ų | 136 | 97.4 Ų | 97.4 | 51% | 0.513 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 171.8 | -82.4 | 177.7 | -74.7 | 175.7 | -0.4 | 112.1 | H332 C333 E334 R338 I339 E340 | H332-R336 WeakPolarHBondContact O-CB 3.24Å; H332-R336 VanDerWaalsContact O-CG 3.31Å; H332-R336 WeakPolarHBondContact O-CG 3.41Å; H332-R336 PolarHBondContact O-N 2.89Å; H332-R336 PolarHBondContact O-NE 2.95Å; C333-R336 PolarHBondContact O-N 2.96Å; C333-R336 PolarHBondContact SG-NH2 2.81Å; E334-R336 VanDerWaalsContact C-N 3.35Å; E334-R336 PolarHBondContact O-N 3.31Å; R336-R338 VanDerWaalsContact C-N 3.34Å; R336-I339 PolarHBondContact O-N 3.33Å; R336-E340 WeakPolarHBondContact O-CB 3.46Å; R336-E340 PolarHBondContact O-N 3.1Å |
| 337 | L | 92.8 | Very high | 84 | Confident | 104 Ų | 104 | 98.5 Ų | 98.5 | 55% | 0.545 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.1 | -36.1 | 175.4 | -70.9 | 171 | 0 | 0 | 0 | 112.1 | C333 E334 E340 I341 | C333-L337 WeakPolarHBondContact O-CG 3.46Å; C333-L337 PolarHBondContact O-N 2.86Å; E334-L337 PolarHBondContact O-N 3.42Å; L337-E340 PolarHBondContact O-N 2.91Å; L337-I341 WeakPolarHBondContact O-CB 3.43Å; L337-I341 WeakPolarHBondContact O-CD1 3.38Å; L337-I341 WeakPolarHBondContact O-CG1 3.34Å; L337-I341 PolarHBondContact O-N 2.88Å |
| 338 | R | 93.3 | Very high | 86.1 | Confident | 118 Ų | 118 | 100.1 Ų | 100.1 | 45% | 0.445 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64 | -46.7 | 173.7 | -68.9 | 171.7 | -169.5 | 161.7 | -3.5 | 111.7 | E334 E335 R336 E340 I341 V342 | E334-R338 WeakPolarHBondContact O-CG 3.4Å; E334-R338 PolarHBondContact O-N 3.01Å; E334-R338 IonicContact OE1-CZ 2.69Å; E334-R338 IonicContact OE1-NE 2.64Å; E334-R338 IonicContact OE1-NH2 3.46Å; E334-R338 PolarHBondContact OE1-NH2 3.34Å; E334-R338 IonicContact OE2-NH2 3.35Å; E335-R338 PolarHBondContact O-N 2.92Å; E335-R338 WeakPolarHBondContact OE2-CD 3.36Å; E335-R338 IonicContact OE2-CZ 3.43Å; E335-R338 IonicContact OE2-NE 2.79Å; E335-R338 IonicContact OE2-NH1 3.46Å; E335-R338 PolarHBondContact OE2-NH1 3.48Å; R336-R338 VanDerWaalsContact C-N 3.34Å; R338-E340 VanDerWaalsContact C-N 3.31Å; R338-E340 PolarHBondContact O-N 3.32Å; R338-I341 PolarHBondContact O-N 2.88Å; R338-V342 WeakPolarHBondContact O-CG2 3.4Å; R338-V342 PolarHBondContact O-N 3.41Å |
| 339 | I | 92.9 | Very high | 88 | Confident | 104 Ų | 104 | 97.9 Ų | 97.9 | 53% | 0.533 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.9 | -41.7 | 176.1 | -66.6 | 164.3 | 0 | 0 | 0 | 110.6 | E335 R336 V342 N343 | E335-I339 HydrophobicContact CG-CD1 4.35Å; E335-I339 WeakPolarHBondContact O-CG1 3.32Å; E335-I339 PolarHBondContact O-N 3.08Å; R336-I339 PolarHBondContact O-N 3.33Å; I339-V342 PolarHBondContact O-N 3.38Å; I339-N343 VanDerWaalsContact O-CB 3.32Å; I339-N343 WeakPolarHBondContact O-CB 3.4Å; I339-N343 PolarHBondContact O-N 2.92Å |
| 340 | E | 94.6 | Very high | 89.8 | Confident | 112 Ų | 112 | 94.6 Ų | 94.6 | 52% | 0.523 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.2 | -38.9 | 176.8 | -170.7 | 161.8 | -155.7 | 0 | 0 | 112.3 | R336 L337 R338 V342 N343 L344 | R336-E340 WeakPolarHBondContact O-CB 3.46Å; R336-E340 PolarHBondContact O-N 3.1Å; L337-E340 PolarHBondContact O-N 2.91Å; R338-E340 VanDerWaalsContact C-N 3.31Å; R338-E340 PolarHBondContact O-N 3.32Å; E340-V342 PolarHBondContact O-N 2.95Å; E340-N343 PolarHBondContact O-N 2.91Å; E340-L344 HydrophobicContact CG-CD1 4.09Å; E340-L344 HydrophobicContact CG-CG 4.43Å; E340-L344 VanDerWaalsContact O-CB 3.3Å; E340-L344 WeakPolarHBondContact O-CB 3.28Å; E340-L344 WeakPolarHBondContact O-CG 3.31Å; E340-L344 PolarHBondContact O-N 3.22Å |
| 341 | I | 94 | Very high | 91.3 | Very high | 88 Ų | 88 | 100.3 Ų | 100.3 | 45% | 0.451 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.1 | -39.3 | 172.5 | -72 | 162.6 | 0 | 0 | 0 | 111.6 | L337 R338 R345 | L337-I341 WeakPolarHBondContact O-CB 3.43Å; L337-I341 WeakPolarHBondContact O-CD1 3.38Å; L337-I341 WeakPolarHBondContact O-CG1 3.34Å; L337-I341 PolarHBondContact O-N 2.88Å; R338-I341 PolarHBondContact O-N 2.88Å; I341-R345 WeakPolarHBondContact O-CD 3.48Å; I341-R345 WeakPolarHBondContact O-CG 3.37Å; I341-R345 PolarHBondContact O-N 2.98Å |
| 342 | V | 96.1 | Very high | 92.4 | Very high | 74 Ų | 74 | 100.9 Ų | 100.9 | 45% | 0.448 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.9 | -47.6 | 176 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | R338 I339 E340 L344 R345 E346 | R338-V342 WeakPolarHBondContact O-CG2 3.4Å; R338-V342 PolarHBondContact O-N 3.41Å; I339-V342 PolarHBondContact O-N 3.38Å; E340-V342 PolarHBondContact O-N 2.95Å; V342-L344 VanDerWaalsContact C-N 3.34Å; V342-L344 PolarHBondContact O-N 3.42Å; V342-R345 WeakPolarHBondContact O-CA 3.43Å; V342-R345 WeakPolarHBondContact O-CB 3.48Å; V342-R345 PolarHBondContact O-N 2.88Å; V342-E346 HydrophobicContact CG1-CG 4.45Å; V342-E346 WeakPolarHBondContact CG1-OE1 3.34Å; V342-E346 WeakPolarHBondContact O-CG 3.49Å; V342-E346 PolarHBondContact O-N 3.41Å |
| 343 | N | 95.6 | Very high | 93.2 | Very high | 75 Ų | 75 | 101.2 Ų | 101.2 | 40% | 0.401 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.8 | -39.9 | 177 | -175.2 | 8.6 | 0 | 0 | 0 | 112.3 | I339 E340 R345 E346 Q347 | I339-N343 VanDerWaalsContact O-CB 3.32Å; I339-N343 WeakPolarHBondContact O-CB 3.4Å; I339-N343 PolarHBondContact O-N 2.92Å; E340-N343 PolarHBondContact O-N 2.91Å; N343-R345 VanDerWaalsContact C-N 3.31Å; N343-R345 PolarHBondContact O-N 3.39Å; N343-E346 PolarHBondContact O-N 2.96Å; N343-Q347 WeakPolarHBondContact O-CB 3.44Å; N343-Q347 VanDerWaalsContact O-CG 3.28Å; N343-Q347 WeakPolarHBondContact O-CG 3.25Å; N343-Q347 PolarHBondContact O-N 3.21Å; N343-Q347 PolarHBondContact OD1-NE2 3.44Å |
| 344 | L | 96.5 | Very high | 93.9 | Very high | 98 Ų | 98 | 103.4 Ų | 103.4 | 51% | 0.513 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.8 | -27.7 | 174.3 | -72.6 | 171.7 | 0 | 0 | 0 | 113 | E340 V342 L348 | E340-L344 HydrophobicContact CG-CD1 4.09Å; E340-L344 HydrophobicContact CG-CG 4.43Å; E340-L344 VanDerWaalsContact O-CB 3.3Å; E340-L344 WeakPolarHBondContact O-CB 3.28Å; E340-L344 WeakPolarHBondContact O-CG 3.31Å; E340-L344 PolarHBondContact O-N 3.22Å; V342-L344 VanDerWaalsContact C-N 3.34Å; V342-L344 PolarHBondContact O-N 3.42Å; L344-L348 WeakPolarHBondContact O-CB 3.33Å; L344-L348 PolarHBondContact O-N 3.23Å; L344-L348 VanDerWaalsContact O-N 3.1Å |
| 345 | R | 95.6 | Very high | 94.3 | Very high | 160 Ų | 160 | 103.5 Ų | 103.5 | 60% | 0.604 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -72.9 | -49 | 170.7 | -73.9 | 165.5 | -178.9 | -133.5 | 0.6 | 111 | I341 V342 N343 Q347 L348 D349 | I341-R345 WeakPolarHBondContact O-CD 3.48Å; I341-R345 WeakPolarHBondContact O-CG 3.37Å; I341-R345 PolarHBondContact O-N 2.98Å; V342-R345 WeakPolarHBondContact O-CA 3.43Å; V342-R345 WeakPolarHBondContact O-CB 3.48Å; V342-R345 PolarHBondContact O-N 2.88Å; N343-R345 VanDerWaalsContact C-N 3.31Å; N343-R345 PolarHBondContact O-N 3.39Å; R345-Q347 VanDerWaalsContact C-N 3.25Å; R345-Q347 PolarHBondContact O-N 2.72Å; R345-L348 CarbonylContact O-C 3.56Å; R345-L348 WeakPolarHBondContact O-CA 3.35Å; R345-L348 WeakPolarHBondContact O-CB 3.3Å; R345-L348 PolarHBondContact O-N 2.97Å; R345-D349 WeakPolarHBondContact O-CB 3.24Å; R345-D349 PolarHBondContact O-N 3.43Å |
| 346 | E | 95.4 | Very high | 94.9 | Very high | 122 Ų | 122 | 104.1 Ų | 104.1 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -56.6 | -39.6 | 175.5 | -70.9 | 173.2 | -175 | 0 | 0 | 111.8 | V342 N343 S350 | V342-E346 HydrophobicContact CG1-CG 4.45Å; V342-E346 WeakPolarHBondContact CG1-OE1 3.34Å; V342-E346 WeakPolarHBondContact O-CG 3.49Å; V342-E346 PolarHBondContact O-N 3.41Å; N343-E346 PolarHBondContact O-N 2.96Å; E346-S350 WeakPolarHBondContact O-CB 3.45Å; E346-S350 PolarHBondContact O-N 3.46Å |
| 347 | Q | 95.6 | Very high | 95.2 | Very high | 99 Ų | 99 | 101.6 Ų | 101.6 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.2 | -30.6 | 172.5 | -74 | 174.4 | 47.4 | 0 | 0 | 113.7 | N343 R345 S350 R351 | N343-Q347 WeakPolarHBondContact O-CB 3.44Å; N343-Q347 VanDerWaalsContact O-CG 3.28Å; N343-Q347 WeakPolarHBondContact O-CG 3.25Å; N343-Q347 PolarHBondContact O-N 3.21Å; N343-Q347 PolarHBondContact OD1-NE2 3.44Å; R345-Q347 VanDerWaalsContact C-N 3.25Å; R345-Q347 PolarHBondContact O-N 2.72Å; Q347-S350 PolarHBondContact O-OG 3.06Å; Q347-R351 WeakPolarHBondContact O-CB 3.46Å; Q347-R351 WeakPolarHBondContact O-CG 3.5Å; Q347-R351 PolarHBondContact O-N 3.39Å |
| 348 | L | 95.6 | Very high | 95.4 | Very high | 110 Ų | 110 | 101 Ų | 101 | 58% | 0.576 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -72.6 | -45.4 | 174 | -176.6 | 65.3 | 0 | 0 | 0 | 110.3 | L344 R345 R351 T352 | L344-L348 WeakPolarHBondContact O-CB 3.33Å; L344-L348 PolarHBondContact O-N 3.23Å; L344-L348 VanDerWaalsContact O-N 3.1Å; R345-L348 CarbonylContact O-C 3.56Å; R345-L348 WeakPolarHBondContact O-CA 3.35Å; R345-L348 WeakPolarHBondContact O-CB 3.3Å; R345-L348 PolarHBondContact O-N 2.97Å; L348-R351 CarbonylContact O-C 3.53Å; L348-R351 WeakPolarHBondContact O-CB 3.34Å; L348-R351 PolarHBondContact O-N 2.98Å; L348-R351 VanDerWaalsContact O-N 3.12Å; L348-T352 PolarHBondContact O-N 3.37Å; L348-T352 PolarHBondContact O-OG1 3.48Å |
| 349 | D | 95.5 | Very high | 95.6 | Very high | 88 Ų | 88 | 101.5 Ų | 101.5 | 47% | 0.471 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.2 | -46.8 | 179.3 | -62.4 | -23.6 | 0 | 0 | 0 | 110 | R345 R351 T352 E353 | R345-D349 WeakPolarHBondContact O-CB 3.24Å; R345-D349 PolarHBondContact O-N 3.43Å; D349-R351 VanDerWaalsContact C-N 3.28Å; D349-R351 PolarHBondContact O-N 2.84Å; D349-T352 WeakPolarHBondContact CA-OG1 3.43Å; D349-T352 PolarHBondContact O-N 2.87Å; D349-T352 PolarHBondContact O-OG1 2.94Å; D349-E353 PolarHBondContact O-N 3.48Å |
| 350 | S | 95.3 | Very high | 95.8 | Very high | 47 Ų | 47 | 100.9 Ų | 100.9 | 33% | 0.329 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.5 | -34.3 | 175 | 83.8 | 0 | 0 | 0 | 0 | 112.6 | E346 Q347 E354 | E346-S350 WeakPolarHBondContact O-CB 3.45Å; E346-S350 PolarHBondContact O-N 3.46Å; Q347-S350 PolarHBondContact O-OG 3.06Å; S350-E354 WeakPolarHBondContact O-CB 3.48Å; S350-E354 VanDerWaalsContact O-CG 3.32Å; S350-E354 WeakPolarHBondContact O-CG 3.36Å; S350-E354 PolarHBondContact O-N 3.25Å |
| 351 | R | 94.9 | Very high | 95.8 | Very high | 159 Ų | 159 | 100.4 Ų | 100.4 | 60% | 0.6 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -73 | -25.9 | 174.2 | -72.3 | -66.6 | -172 | -161.5 | -2.3 | 113.1 | Q347 L348 D349 E354 N355 | Q347-R351 WeakPolarHBondContact O-CB 3.46Å; Q347-R351 WeakPolarHBondContact O-CG 3.5Å; Q347-R351 PolarHBondContact O-N 3.39Å; L348-R351 CarbonylContact O-C 3.53Å; L348-R351 WeakPolarHBondContact O-CB 3.34Å; L348-R351 PolarHBondContact O-N 2.98Å; L348-R351 VanDerWaalsContact O-N 3.12Å; D349-R351 VanDerWaalsContact C-N 3.28Å; D349-R351 PolarHBondContact O-N 2.84Å; R351-E354 VanDerWaalsContact CD-OE2 3.29Å; R351-E354 WeakPolarHBondContact CD-OE2 3.33Å; R351-E354 IonicContact CZ-OE2 3.75Å; R351-E354 IonicContact NE-OE2 3.16Å; R351-E354 IonicContact NH1-OE1 2.93Å; R351-E354 IonicContact NH1-OE2 3.98Å; R351-E354 PolarHBondContact NH1-OE2 3.33Å; R351-N355 PolarHBondContact O-N 3.41Å |
| 352 | T | 95.3 | Very high | 95.9 | Very high | 68 Ų | 68 | 100.8 Ų | 100.8 | 42% | 0.417 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -74.1 | -43.9 | 170.3 | 51.2 | 0 | 0 | 0 | 0 | 111.4 | L348 D349 E354 N355 D356 | L348-T352 PolarHBondContact O-N 3.37Å; L348-T352 PolarHBondContact O-OG1 3.48Å; D349-T352 WeakPolarHBondContact CA-OG1 3.43Å; D349-T352 PolarHBondContact O-N 2.87Å; D349-T352 PolarHBondContact O-OG1 2.94Å; T352-E354 VanDerWaalsContact C-N 3.35Å; T352-E354 PolarHBondContact O-N 3.08Å; T352-N355 WeakPolarHBondContact O-CA 3.4Å; T352-N355 VanDerWaalsContact O-CB 3.3Å; T352-N355 WeakPolarHBondContact O-CB 3.32Å; T352-N355 PolarHBondContact O-N 3.42Å; T352-D356 PolarHBondContact O-N 3.15Å |
| 353 | E | 96.3 | Very high | 95.9 | Very high | 131 Ų | 131 | 99.9 Ų | 99.9 | 61% | 0.612 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.4 | -42.3 | 174.5 | -67.7 | 179.4 | 169.4 | 0 | 0 | 112 | D349 N355 D356 V357 | D349-E353 PolarHBondContact O-N 3.48Å; E353-N355 VanDerWaalsContact C-N 3.27Å; E353-N355 PolarHBondContact O-N 2.97Å; E353-D356 PolarHBondContact O-N 2.88Å; E353-V357 WeakPolarHBondContact O-CG2 3.5Å; E353-V357 PolarHBondContact O-N 2.95Å |
| 354 | E | 96.2 | Very high | 96 | Very high | 90 Ų | 90 | 99.2 Ų | 99.2 | 42% | 0.421 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.4 | -37.2 | 171.2 | -78.1 | 176 | -167.6 | 0 | 0 | 112.4 | S350 R351 T352 L358 | S350-E354 WeakPolarHBondContact O-CB 3.48Å; S350-E354 VanDerWaalsContact O-CG 3.32Å; S350-E354 WeakPolarHBondContact O-CG 3.36Å; S350-E354 PolarHBondContact O-N 3.25Å; R351-E354 VanDerWaalsContact CD-OE2 3.29Å; R351-E354 WeakPolarHBondContact CD-OE2 3.33Å; R351-E354 IonicContact CZ-OE2 3.75Å; R351-E354 IonicContact NE-OE2 3.16Å; R351-E354 IonicContact NH1-OE1 2.93Å; R351-E354 IonicContact NH1-OE2 3.98Å; R351-E354 PolarHBondContact NH1-OE2 3.33Å; T352-E354 VanDerWaalsContact C-N 3.35Å; T352-E354 PolarHBondContact O-N 3.08Å; E354-L358 WeakPolarHBondContact O-CB 3.41Å; E354-L358 VanDerWaalsContact O-CG 3.24Å; E354-L358 WeakPolarHBondContact O-CG 3.46Å; E354-L358 PolarHBondContact O-N 3.38Å; E354-L358 VanDerWaalsContact O-N 3.08Å |
| 355 | N | 93.5 | Very high | 96 | Very high | 105 Ų | 105 | 99.1 Ų | 99.1 | 56% | 0.561 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -69.9 | -46.8 | 179 | -133.4 | -58.5 | 0 | 0 | 0 | 111.5 | R351 T352 E353 V357 L358 E359 | R351-N355 PolarHBondContact O-N 3.41Å; T352-N355 WeakPolarHBondContact O-CA 3.4Å; T352-N355 VanDerWaalsContact O-CB 3.3Å; T352-N355 WeakPolarHBondContact O-CB 3.32Å; T352-N355 PolarHBondContact O-N 3.42Å; E353-N355 VanDerWaalsContact C-N 3.27Å; E353-N355 PolarHBondContact O-N 2.97Å; N355-V357 VanDerWaalsContact C-N 3.3Å; N355-V357 PolarHBondContact O-N 3.43Å; N355-L358 CarbonylContact O-C 3.58Å; N355-L358 WeakPolarHBondContact O-CB 3.41Å; N355-L358 PolarHBondContact O-N 3.44Å; N355-L358 VanDerWaalsContact O-N 3.1Å; N355-E359 PolarHBondContact O-N 2.89Å |
| 356 | D | 97.3 | Very high | 96.1 | Very high | 99 Ų | 99 | 98.8 Ų | 98.8 | 53% | 0.529 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.6 | -42 | 178.4 | -67.6 | -6.6 | 0 | 0 | 0 | 110.8 | T352 E353 E359 V360 | T352-D356 PolarHBondContact O-N 3.15Å; E353-D356 PolarHBondContact O-N 2.88Å; D356-E359 PolarHBondContact O-N 2.94Å; D356-V360 WeakPolarHBondContact O-CG2 3.3Å; D356-V360 PolarHBondContact O-N 2.76Å |
| 357 | V | 96.4 | Very high | 96 | Very high | 82 Ų | 82 | 95.7 Ų | 95.7 | 50% | 0.497 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 174.4 | 170.7 | 0 | 0 | 0 | 0 | 111.6 | E353 N355 V360 Q361 | E353-V357 WeakPolarHBondContact O-CG2 3.5Å; E353-V357 PolarHBondContact O-N 2.95Å; N355-V357 VanDerWaalsContact C-N 3.3Å; N355-V357 PolarHBondContact O-N 3.43Å; V357-V360 PolarHBondContact O-N 3.15Å; V357-Q361 VanDerWaalsContact O-CG 3.32Å; V357-Q361 WeakPolarHBondContact O-CG 3.49Å; V357-Q361 PolarHBondContact O-N 3Å |
| 358 | L | 96.9 | Very high | 96 | Very high | 92 Ų | 92 | 95.4 Ų | 95.4 | 48% | 0.482 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.2 | -36.5 | 175.6 | -73.8 | 170.1 | 0 | 0 | 0 | 112.2 | E354 N355 Q361 L362 | E354-L358 WeakPolarHBondContact O-CB 3.41Å; E354-L358 VanDerWaalsContact O-CG 3.24Å; E354-L358 WeakPolarHBondContact O-CG 3.46Å; E354-L358 PolarHBondContact O-N 3.38Å; E354-L358 VanDerWaalsContact O-N 3.08Å; N355-L358 CarbonylContact O-C 3.58Å; N355-L358 WeakPolarHBondContact O-CB 3.41Å; N355-L358 PolarHBondContact O-N 3.44Å; N355-L358 VanDerWaalsContact O-N 3.1Å; L358-Q361 PolarHBondContact O-N 3.42Å; L358-L362 WeakPolarHBondContact O-CB 3.32Å; L358-L362 VanDerWaalsContact O-CG 3.28Å; L358-L362 WeakPolarHBondContact O-CG 3.48Å; L358-L362 PolarHBondContact O-N 3.49Å |
| 359 | E | 97.3 | Very high | 95.7 | Very high | 129 Ų | 129 | 94.4 Ų | 94.4 | 60% | 0.603 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.4 | -43 | 175 | -176.5 | 163.7 | -150.2 | 0 | 0 | 111.3 | N355 D356 Q361 L362 S363 | N355-E359 PolarHBondContact O-N 2.89Å; D356-E359 PolarHBondContact O-N 2.94Å; E359-Q361 PolarHBondContact O-N 3.35Å; E359-L362 PolarHBondContact O-N 3.28Å; E359-S363 WeakPolarHBondContact O-CB 3.45Å; E359-S363 PolarHBondContact O-N 3.17Å |
| 360 | V | 97.2 | Very high | 95.8 | Very high | 91 Ų | 91 | 96.1 Ų | 96.1 | 55% | 0.552 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.6 | -43.2 | 173.4 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | D356 V357 S363 T364 | D356-V360 WeakPolarHBondContact O-CG2 3.3Å; D356-V360 PolarHBondContact O-N 2.76Å; V357-V360 PolarHBondContact O-N 3.15Å; V360-S363 PolarHBondContact O-N 2.91Å; V360-S363 PolarHBondContact O-OG 2.9Å; V360-T364 PolarHBondContact O-N 2.91Å; V360-T364 PolarHBondContact O-OG1 3.37Å |
| 361 | Q | 96.4 | Very high | 95.8 | Very high | 102 Ų | 102 | 100.1 Ų | 100.1 | 48% | 0.477 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 175 | -72.7 | 175.3 | 16.5 | 0 | 0 | 112 | V357 L358 E359 S363 T364 L365 | V357-Q361 VanDerWaalsContact O-CG 3.32Å; V357-Q361 WeakPolarHBondContact O-CG 3.49Å; V357-Q361 PolarHBondContact O-N 3Å; L358-Q361 PolarHBondContact O-N 3.42Å; E359-Q361 PolarHBondContact O-N 3.35Å; Q361-S363 VanDerWaalsContact C-N 3.33Å; Q361-S363 PolarHBondContact O-N 3.41Å; Q361-T364 PolarHBondContact O-N 3.35Å; Q361-L365 WeakPolarHBondContact O-CB 3.37Å; Q361-L365 WeakPolarHBondContact O-CG 3.41Å; Q361-L365 PolarHBondContact O-N 2.97Å |
| 362 | L | 95.4 | Very high | 95.7 | Very high | 96 Ų | 96 | 97.6 Ų | 97.6 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.7 | -37.8 | 175.8 | -74 | 171.8 | 0 | 0 | 0 | 112.2 | L358 E359 R366 | L358-L362 WeakPolarHBondContact O-CB 3.32Å; L358-L362 VanDerWaalsContact O-CG 3.28Å; L358-L362 WeakPolarHBondContact O-CG 3.48Å; L358-L362 PolarHBondContact O-N 3.49Å; E359-L362 PolarHBondContact O-N 3.28Å; L362-R366 WeakPolarHBondContact O-CB 3.41Å; L362-R366 VanDerWaalsContact O-CG 3.24Å; L362-R366 WeakPolarHBondContact O-CG 3.46Å; L362-R366 PolarHBondContact O-N 3.48Å |
| 363 | S | 96.7 | Very high | 95.8 | Very high | 55 Ų | 55 | 99.2 Ų | 99.2 | 39% | 0.385 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.7 | -41.1 | 174.3 | 79.9 | 0 | 0 | 0 | 0 | 111.7 | E359 V360 Q361 R366 T367 | E359-S363 WeakPolarHBondContact O-CB 3.45Å; E359-S363 PolarHBondContact O-N 3.17Å; V360-S363 PolarHBondContact O-N 2.91Å; V360-S363 PolarHBondContact O-OG 2.9Å; Q361-S363 VanDerWaalsContact C-N 3.33Å; Q361-S363 PolarHBondContact O-N 3.41Å; S363-R366 WeakPolarHBondContact O-CB 3.41Å; S363-R366 PolarHBondContact O-N 3.49Å; S363-T367 WeakPolarHBondContact O-CG2 3.29Å; S363-T367 PolarHBondContact O-N 2.92Å; S363-T367 VanDerWaalsContact O-N 3.09Å |
| 364 | T | 96.9 | Very high | 95.7 | Very high | 60 Ų | 60 | 95.8 Ų | 95.8 | 37% | 0.368 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.9 | -52.4 | 178.6 | -56 | 0 | 0 | 0 | 0 | 110.4 | V360 Q361 R366 T367 E368 | V360-T364 PolarHBondContact O-N 2.91Å; V360-T364 PolarHBondContact O-OG1 3.37Å; Q361-T364 PolarHBondContact O-N 3.35Å; T364-R366 VanDerWaalsContact C-N 3.29Å; T364-R366 PolarHBondContact O-N 2.93Å; T364-T367 PolarHBondContact O-N 3.39Å; T364-T367 PolarHBondContact O-OG1 3.37Å; T364-E368 PolarHBondContact O-N 3.41Å |
| 365 | L | 96.4 | Very high | 95.8 | Very high | 97 Ų | 97 | 97 Ų | 97 | 51% | 0.508 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.8 | -38.4 | 176.4 | -70.6 | 171.8 | 0 | 0 | 0 | 112.3 | Q361 E368 T369 | Q361-L365 WeakPolarHBondContact O-CB 3.37Å; Q361-L365 WeakPolarHBondContact O-CG 3.41Å; Q361-L365 PolarHBondContact O-N 2.97Å; L365-E368 PolarHBondContact O-N 3.42Å; L365-T369 WeakPolarHBondContact O-CG2 3.22Å; L365-T369 PolarHBondContact O-N 3.04Å; L365-T369 PolarHBondContact O-OG1 3.27Å |
| 366 | R | 96.8 | Very high | 95.8 | Very high | 152 Ų | 152 | 96.5 Ų | 96.5 | 57% | 0.574 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58.2 | -51.8 | 172.1 | -79.3 | 170.9 | -178.4 | 155.8 | 2.3 | 111.3 | L362 S363 T364 E368 T369 E370 | L362-R366 WeakPolarHBondContact O-CB 3.41Å; L362-R366 VanDerWaalsContact O-CG 3.24Å; L362-R366 WeakPolarHBondContact O-CG 3.46Å; L362-R366 PolarHBondContact O-N 3.48Å; S363-R366 WeakPolarHBondContact O-CB 3.41Å; S363-R366 PolarHBondContact O-N 3.49Å; T364-R366 VanDerWaalsContact C-N 3.29Å; T364-R366 PolarHBondContact O-N 2.93Å; R366-E368 PolarHBondContact O-N 2.97Å; R366-T369 WeakPolarHBondContact CA-OG1 3.39Å; R366-T369 PolarHBondContact O-N 3.41Å; R366-T369 VanDerWaalsContact O-N 3.15Å; R366-T369 PolarHBondContact O-OG1 2.73Å; R366-E370 WeakPolarHBondContact O-CG 3.07Å; R366-E370 PolarHBondContact O-N 2.86Å |
| 367 | T | 94.8 | Very high | 95.7 | Very high | 58 Ų | 58 | 95.4 Ų | 95.4 | 36% | 0.356 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63 | -30.1 | 178.8 | 70.8 | 0 | 0 | 0 | 0 | 113.2 | S363 T364 K371 | S363-T367 WeakPolarHBondContact O-CG2 3.29Å; S363-T367 PolarHBondContact O-N 2.92Å; S363-T367 VanDerWaalsContact O-N 3.09Å; T364-T367 PolarHBondContact O-N 3.39Å; T364-T367 PolarHBondContact O-OG1 3.37Å; T367-K371 WeakPolarHBondContact O-CD 3.41Å; T367-K371 VanDerWaalsContact O-CG 3.22Å; T367-K371 WeakPolarHBondContact O-CG 3.43Å; T367-K371 PolarHBondContact O-N 3.15Å |
| 368 | E | 95.3 | Very high | 95.8 | Very high | 92 Ų | 92 | 97.2 Ų | 97.2 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.9 | -44.5 | 173.7 | -70.1 | 179.5 | 165.3 | 0 | 0 | 111.4 | T364 L365 R366 E370 K371 I372 | T364-E368 PolarHBondContact O-N 3.41Å; L365-E368 PolarHBondContact O-N 3.42Å; R366-E368 PolarHBondContact O-N 2.97Å; E368-E370 VanDerWaalsContact C-N 3.3Å; E368-E370 PolarHBondContact O-N 2.92Å; E368-K371 PolarHBondContact O-N 3.35Å; E368-I372 VanDerWaalsContact O-CG1 3.32Å; E368-I372 WeakPolarHBondContact O-CG1 3.08Å; E368-I372 PolarHBondContact O-N 3.31Å |
| 369 | T | 89.5 | Confident | 95.7 | Very high | 89 Ų | 89 | 98.2 Ų | 98.2 | 55% | 0.546 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62 | -37.3 | 173.9 | 57.3 | 0 | 0 | 0 | 0 | 112.4 | L365 R366 I372 Q373 | L365-T369 WeakPolarHBondContact O-CG2 3.22Å; L365-T369 PolarHBondContact O-N 3.04Å; L365-T369 PolarHBondContact O-OG1 3.27Å; R366-T369 WeakPolarHBondContact CA-OG1 3.39Å; R366-T369 PolarHBondContact O-N 3.41Å; R366-T369 VanDerWaalsContact O-N 3.15Å; R366-T369 PolarHBondContact O-OG1 2.73Å; T369-I372 PolarHBondContact O-N 2.69Å; T369-Q373 WeakPolarHBondContact O-CB 3.47Å; T369-Q373 PolarHBondContact O-N 3.04Å |
| 370 | E | 96 | Very high | 95.7 | Very high | 125 Ų | 125 | 97 Ų | 97 | 58% | 0.584 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.6 | -40.6 | 174.6 | -72.6 | 169.8 | -174.8 | 0 | 0 | 112.4 | R366 E368 Q373 A374 | R366-E370 WeakPolarHBondContact O-CG 3.07Å; R366-E370 PolarHBondContact O-N 2.86Å; E368-E370 VanDerWaalsContact C-N 3.3Å; E368-E370 PolarHBondContact O-N 2.92Å; E370-Q373 WeakPolarHBondContact O-CB 3.39Å; E370-Q373 PolarHBondContact O-N 2.79Å; E370-A374 WeakPolarHBondContact O-CB 3.34Å; E370-A374 PolarHBondContact O-N 3.12Å |
| 371 | K | 95.6 | Very high | 95.7 | Very high | 130 Ų | 130 | 95.6 Ų | 95.6 | 57% | 0.565 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.3 | -46.2 | 174.6 | -73.2 | 161.9 | -172.6 | 161.9 | 0 | 111.8 | T367 E368 Q373 A374 Q375 | T367-K371 WeakPolarHBondContact O-CD 3.41Å; T367-K371 VanDerWaalsContact O-CG 3.22Å; T367-K371 WeakPolarHBondContact O-CG 3.43Å; T367-K371 PolarHBondContact O-N 3.15Å; E368-K371 PolarHBondContact O-N 3.35Å; K371-Q373 VanDerWaalsContact C-N 3.3Å; K371-Q373 PolarHBondContact O-N 2.9Å; K371-A374 PolarHBondContact O-N 3.25Å; K371-Q375 WeakPolarHBondContact O-CG 3.43Å; K371-Q375 PolarHBondContact O-N 2.92Å |
| 372 | I | 94.3 | Very high | 95.7 | Very high | 107 Ų | 107 | 95.5 Ų | 95.5 | 55% | 0.549 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 176.7 | -67.2 | 165.3 | 0 | 0 | 0 | 110.1 | E368 T369 Q375 R376 | E368-I372 VanDerWaalsContact O-CG1 3.32Å; E368-I372 WeakPolarHBondContact O-CG1 3.08Å; E368-I372 PolarHBondContact O-N 3.31Å; T369-I372 PolarHBondContact O-N 2.69Å; I372-Q375 PolarHBondContact O-N 3.46Å; I372-R376 WeakPolarHBondContact O-CB 3.43Å; I372-R376 PolarHBondContact O-N 2.89Å |
| 373 | Q | 95.9 | Very high | 95.8 | Very high | 102 Ų | 102 | 96.3 Ų | 96.3 | 48% | 0.477 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.9 | -47.2 | 175.7 | -174.9 | 72.1 | -9.3 | 0 | 0 | 111.2 | T369 E370 K371 R376 D377 | T369-Q373 WeakPolarHBondContact O-CB 3.47Å; T369-Q373 PolarHBondContact O-N 3.04Å; E370-Q373 WeakPolarHBondContact O-CB 3.39Å; E370-Q373 PolarHBondContact O-N 2.79Å; K371-Q373 VanDerWaalsContact C-N 3.3Å; K371-Q373 PolarHBondContact O-N 2.9Å; Q373-R376 PolarHBondContact O-N 2.89Å; Q373-R376 PolarHBondContact O-NH2 3.1Å; Q373-D377 PolarHBondContact O-N 3.27Å |
| 374 | A | 95.1 | Very high | 95.8 | Very high | 58 Ų | 58 | 98.5 Ų | 98.5 | 48% | 0.479 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E370 K371 D377 Q378 | E370-A374 WeakPolarHBondContact O-CB 3.34Å; E370-A374 PolarHBondContact O-N 3.12Å; K371-A374 PolarHBondContact O-N 3.25Å; A374-D377 PolarHBondContact O-N 2.66Å; A374-Q378 WeakPolarHBondContact O-CB 3.46Å; A374-Q378 PolarHBondContact O-N 2.93Å |
| 375 | Q | 97.1 | Very high | 95.7 | Very high | 117 Ų | 117 | 98.3 Ų | 98.3 | 55% | 0.547 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 174.2 | -75.1 | 175.5 | -24.3 | 0 | 0 | 111.9 | K371 I372 Q378 L379 | K371-Q375 WeakPolarHBondContact O-CG 3.43Å; K371-Q375 PolarHBondContact O-N 2.92Å; I372-Q375 PolarHBondContact O-N 3.46Å; Q375-Q378 PolarHBondContact O-N 3.49Å; Q375-L379 WeakPolarHBondContact O-CG 3.45Å; Q375-L379 PolarHBondContact O-N 3.44Å |
| 376 | R | 93.5 | Very high | 95.7 | Very high | 93 Ų | 93 | 97 Ų | 97 | 35% | 0.351 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 174.3 | 178.4 | -166.4 | 56.4 | 54 | 37.5 | 111.5 | I372 Q373 L379 Q380 | I372-R376 WeakPolarHBondContact O-CB 3.43Å; I372-R376 PolarHBondContact O-N 2.89Å; Q373-R376 PolarHBondContact O-N 2.89Å; Q373-R376 PolarHBondContact O-NH2 3.1Å; R376-L379 PolarHBondContact O-N 2.93Å; R376-Q380 VanDerWaalsContact O-CB 3.24Å; R376-Q380 WeakPolarHBondContact O-CB 3.47Å; R376-Q380 PolarHBondContact O-N 3.47Å |
| 377 | D | 96.3 | Very high | 95.7 | Very high | 77 Ų | 77 | 97.2 Ų | 97.2 | 41% | 0.412 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.7 | -37.5 | 176.9 | -71.1 | -36.8 | 0 | 0 | 0 | 112.1 | Q373 A374 Q380 A381 | Q373-D377 PolarHBondContact O-N 3.27Å; A374-D377 PolarHBondContact O-N 2.66Å; D377-Q380 PolarHBondContact O-N 2.9Å; D377-A381 WeakPolarHBondContact O-CB 3.36Å; D377-A381 PolarHBondContact O-N 3.27Å |
| 378 | Q | 97.9 | Very high | 95.7 | Very high | 120 Ų | 120 | 97.9 Ų | 97.9 | 56% | 0.561 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.6 | -48.6 | 174.5 | -178.8 | 177.5 | -2.4 | 0 | 0 | 112.1 | A374 Q375 Q380 A381 Q382 | A374-Q378 WeakPolarHBondContact O-CB 3.46Å; A374-Q378 PolarHBondContact O-N 2.93Å; Q375-Q378 PolarHBondContact O-N 3.49Å; Q378-Q380 VanDerWaalsContact C-N 3.3Å; Q378-Q380 PolarHBondContact O-N 3.07Å; Q378-A381 PolarHBondContact O-N 3.23Å; Q378-Q382 WeakPolarHBondContact O-CG 3.31Å; Q378-Q382 PolarHBondContact O-N 3.43Å |
| 379 | L | 95.4 | Very high | 95.9 | Very high | 113 Ų | 113 | 98 Ų | 98 | 59% | 0.592 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63 | -37.9 | 176.3 | -71.4 | 170.9 | 0 | 0 | 0 | 111.6 | Q375 R376 Q382 L383 | Q375-L379 WeakPolarHBondContact O-CG 3.45Å; Q375-L379 PolarHBondContact O-N 3.44Å; R376-L379 PolarHBondContact O-N 2.93Å; L379-Q382 PolarHBondContact O-N 2.83Å; L379-L383 WeakPolarHBondContact O-CB 3.33Å; L379-L383 PolarHBondContact O-N 2.98Å |
| 380 | Q | 97.9 | Very high | 96.1 | Very high | 104 Ų | 104 | 98.4 Ų | 98.4 | 49% | 0.486 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.2 | -38 | 175.3 | -174.9 | 170.4 | -15.7 | 0 | 0 | 112 | R376 D377 Q378 L384 | R376-Q380 VanDerWaalsContact O-CB 3.24Å; R376-Q380 WeakPolarHBondContact O-CB 3.47Å; R376-Q380 PolarHBondContact O-N 3.47Å; D377-Q380 PolarHBondContact O-N 2.9Å; Q378-Q380 VanDerWaalsContact C-N 3.3Å; Q378-Q380 PolarHBondContact O-N 3.07Å; Q380-L384 VanDerWaalsContact O-CG 3.31Å; Q380-L384 WeakPolarHBondContact O-CG 3.39Å; Q380-L384 PolarHBondContact O-N 2.81Å; Q380-L384 VanDerWaalsContact O-N 3.14Å |
| 381 | A | 95.5 | Very high | 96.2 | Very high | 60 Ų | 60 | 95.6 Ų | 95.6 | 50% | 0.496 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.8 | -42.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D377 Q378 L384 S385 | D377-A381 WeakPolarHBondContact O-CB 3.36Å; D377-A381 PolarHBondContact O-N 3.27Å; Q378-A381 PolarHBondContact O-N 3.23Å; A381-L384 PolarHBondContact O-N 2.99Å; A381-S385 PolarHBondContact O-N 3.47Å |
| 382 | Q | 97.9 | Very high | 96.2 | Very high | 100 Ų | 100 | 92.3 Ų | 92.3 | 47% | 0.467 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 175.1 | -73.7 | 176.4 | -25.6 | 0 | 0 | 111.7 | Q378 L379 L384 S385 C386 | Q378-Q382 WeakPolarHBondContact O-CG 3.31Å; Q378-Q382 PolarHBondContact O-N 3.43Å; L379-Q382 PolarHBondContact O-N 2.83Å; Q382-L384 VanDerWaalsContact C-N 3.27Å; Q382-L384 PolarHBondContact O-N 3.49Å; Q382-S385 WeakPolarHBondContact O-CB 3.47Å; Q382-S385 PolarHBondContact O-N 3.2Å; Q382-S385 VanDerWaalsContact O-N 3.07Å; Q382-C386 PolarHBondContact O-N 2.88Å; Q382-C386 PolarHBondContact O-SG 3.43Å; Q382-C386 VanDerWaalsContact O-SG 3.4Å |
| 383 | L | 95.9 | Very high | 96.4 | Very high | 114 Ų | 114 | 92.8 Ų | 92.8 | 60% | 0.597 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.1 | -38.4 | 176.6 | -174.5 | 152.7 | 0 | 0 | 0 | 112 | L379 R387 | L379-L383 WeakPolarHBondContact O-CB 3.33Å; L379-L383 PolarHBondContact O-N 2.98Å; L383-R387 VanDerWaalsContact O-CB 3.29Å; L383-R387 WeakPolarHBondContact O-CB 3.4Å; L383-R387 PolarHBondContact O-N 2.88Å |
| 384 | L | 96.9 | Very high | 96.4 | Very high | 101 Ų | 101 | 95.3 Ų | 95.3 | 53% | 0.529 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.4 | -37.5 | 174.7 | -71.2 | 171 | 0 | 0 | 0 | 112.5 | Q380 A381 Q382 R387 S388 | Q380-L384 VanDerWaalsContact O-CG 3.31Å; Q380-L384 WeakPolarHBondContact O-CG 3.39Å; Q380-L384 PolarHBondContact O-N 2.81Å; Q380-L384 VanDerWaalsContact O-N 3.14Å; A381-L384 PolarHBondContact O-N 2.99Å; Q382-L384 VanDerWaalsContact C-N 3.27Å; Q382-L384 PolarHBondContact O-N 3.49Å; L384-R387 PolarHBondContact O-N 3.3Å; L384-S388 PolarHBondContact O-N 3.41Å |
| 385 | S | 96.6 | Very high | 96.6 | Very high | 56 Ų | 56 | 97.2 Ų | 97.2 | 39% | 0.392 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.7 | -57.2 | 173.2 | -162.5 | 0 | 0 | 0 | 0 | 110.9 | A381 Q382 R387 S388 E389 | A381-S385 PolarHBondContact O-N 3.47Å; Q382-S385 WeakPolarHBondContact O-CB 3.47Å; Q382-S385 PolarHBondContact O-N 3.2Å; Q382-S385 VanDerWaalsContact O-N 3.07Å; S385-R387 PolarHBondContact O-N 2.98Å; S385-R387 VanDerWaalsContact O-N 3.16Å; S385-S388 WeakPolarHBondContact O-CA 3.5Å; S385-S388 WeakPolarHBondContact O-CB 3.4Å; S385-S388 PolarHBondContact O-N 3.29Å; S385-S388 PolarHBondContact O-OG 2.85Å; S385-E389 VanDerWaalsContact C-OE1 3.28Å; S385-E389 WeakPolarHBondContact CB-OE1 3.21Å; S385-E389 WeakPolarHBondContact O-CG 3.3Å; S385-E389 PolarHBondContact O-N 2.9Å; S385-E389 PolarHBondContact OG-OE1 3.06Å |
| 386 | C | 95.2 | Very high | 96.6 | Very high | 69 Ų | 69 | 94 Ų | 94 | 47% | 0.466 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.5 | -35.9 | 179.7 | -61 | 0 | 0 | 0 | 0 | 112.1 | Q382 E389 L390 | Q382-C386 PolarHBondContact O-N 2.88Å; Q382-C386 PolarHBondContact O-SG 3.43Å; Q382-C386 VanDerWaalsContact O-SG 3.4Å; C386-E389 PolarHBondContact O-N 3.45Å; C386-L390 WeakPolarHBondContact O-CB 3.41Å; C386-L390 VanDerWaalsContact O-CG 3.28Å; C386-L390 WeakPolarHBondContact O-CG 3.18Å; C386-L390 PolarHBondContact O-N 3.48Å |
| 387 | R | 97.6 | Very high | 96.8 | Very high | 157 Ų | 157 | 94.1 Ų | 94.1 | 59% | 0.592 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.9 | -42.8 | 173.9 | -175.1 | 173.5 | -179.7 | 162.2 | 1.8 | 112.4 | L383 L384 S385 E389 L390 D391 | L383-R387 VanDerWaalsContact O-CB 3.29Å; L383-R387 WeakPolarHBondContact O-CB 3.4Å; L383-R387 PolarHBondContact O-N 2.88Å; L384-R387 PolarHBondContact O-N 3.3Å; S385-R387 PolarHBondContact O-N 2.98Å; S385-R387 VanDerWaalsContact O-N 3.16Å; R387-E389 VanDerWaalsContact C-N 3.34Å; R387-L390 PolarHBondContact O-N 2.84Å; R387-D391 PolarHBondContact O-N 3.04Å |
| 388 | S | 95.3 | Very high | 96.8 | Very high | 71 Ų | 71 | 94.3 Ų | 94.3 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.1 | -36.1 | 176.8 | 75.3 | 0 | 0 | 0 | 0 | 112.6 | L384 S385 D391 A392 | L384-S388 PolarHBondContact O-N 3.41Å; S385-S388 WeakPolarHBondContact O-CA 3.5Å; S385-S388 WeakPolarHBondContact O-CB 3.4Å; S385-S388 PolarHBondContact O-N 3.29Å; S385-S388 PolarHBondContact O-OG 2.85Å; S388-D391 PolarHBondContact O-N 3.39Å; S388-A392 WeakPolarHBondContact O-CB 3.26Å; S388-A392 PolarHBondContact O-N 3.26Å |
| 389 | E | 97.6 | Very high | 96.8 | Very high | 96 Ų | 96 | 94.6 Ų | 94.6 | 45% | 0.449 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.8 | -44.3 | 174.5 | -68.4 | 157.3 | -133.3 | 0 | 0 | 111.3 | S385 C386 R387 D391 A392 L393 | S385-E389 VanDerWaalsContact C-OE1 3.28Å; S385-E389 WeakPolarHBondContact CB-OE1 3.21Å; S385-E389 WeakPolarHBondContact O-CG 3.3Å; S385-E389 PolarHBondContact O-N 2.9Å; S385-E389 PolarHBondContact OG-OE1 3.06Å; C386-E389 PolarHBondContact O-N 3.45Å; R387-E389 VanDerWaalsContact C-N 3.34Å; E389-D391 VanDerWaalsContact C-N 3.34Å; E389-D391 PolarHBondContact O-N 3.49Å; E389-A392 PolarHBondContact O-N 2.86Å; E389-L393 WeakPolarHBondContact O-CG 3.34Å; E389-L393 PolarHBondContact O-N 2.76Å |
| 390 | L | 94.6 | Very high | 96.9 | Very high | 96 Ų | 96 | 94.9 Ų | 94.9 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.5 | -41.1 | 173.4 | -75.4 | 171.6 | 0 | 0 | 0 | 112.4 | C386 R387 L393 R394 | C386-L390 WeakPolarHBondContact O-CB 3.41Å; C386-L390 VanDerWaalsContact O-CG 3.28Å; C386-L390 WeakPolarHBondContact O-CG 3.18Å; C386-L390 PolarHBondContact O-N 3.48Å; R387-L390 PolarHBondContact O-N 2.84Å; L390-L393 PolarHBondContact O-N 2.86Å; L390-R394 WeakPolarHBondContact O-CB 3.28Å; L390-R394 WeakPolarHBondContact O-CD 3.38Å; L390-R394 VanDerWaalsContact O-CG 3.24Å; L390-R394 WeakPolarHBondContact O-CG 3.39Å; L390-R394 PolarHBondContact O-N 3.49Å |
| 391 | D | 97.2 | Very high | 96.9 | Very high | 67 Ų | 67 | 94.8 Ų | 94.8 | 36% | 0.358 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.4 | -34.8 | 177 | -72.5 | -27.4 | 0 | 0 | 0 | 111.8 | R387 S388 E389 R394 V395 | R387-D391 PolarHBondContact O-N 3.04Å; S388-D391 PolarHBondContact O-N 3.39Å; E389-D391 VanDerWaalsContact C-N 3.34Å; E389-D391 PolarHBondContact O-N 3.49Å; D391-R394 PolarHBondContact O-N 2.91Å; D391-R394 IonicContact OD1-CZ 2.73Å; D391-R394 IonicContact OD1-NH1 3.95Å; D391-R394 PolarHBondContact OD1-NH1 2.92Å; D391-V395 WeakPolarHBondContact O-CG2 3.49Å; D391-V395 PolarHBondContact O-N 3.4Å; D391-V395 VanDerWaalsContact O-N 3.14Å |
| 392 | A | 97.4 | Very high | 97 | Very high | 61 Ų | 61 | 95.2 Ų | 95.2 | 50% | 0.504 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.4 | -44.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S388 E389 R394 V395 A396 | S388-A392 WeakPolarHBondContact O-CB 3.26Å; S388-A392 PolarHBondContact O-N 3.26Å; E389-A392 PolarHBondContact O-N 2.86Å; A392-R394 VanDerWaalsContact C-N 3.34Å; A392-R394 PolarHBondContact O-N 2.91Å; A392-V395 PolarHBondContact O-N 3.37Å; A392-A396 PolarHBondContact O-N 3.41Å |
| 393 | L | 96.8 | Very high | 97 | Very high | 117 Ų | 117 | 93.1 Ų | 93.1 | 61% | 0.613 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.8 | -38.3 | 175.7 | -72.5 | 172.4 | 0 | 0 | 0 | 112.1 | E389 L390 V395 A396 L397 | E389-L393 WeakPolarHBondContact O-CG 3.34Å; E389-L393 PolarHBondContact O-N 2.76Å; L390-L393 PolarHBondContact O-N 2.86Å; L393-V395 PolarHBondContact O-N 3.44Å; L393-A396 PolarHBondContact O-N 3.4Å; L393-L397 WeakPolarHBondContact O-CB 3.41Å; L393-L397 PolarHBondContact O-N 3.38Å |
| 394 | R | 97.6 | Very high | 96.9 | Very high | 154 Ų | 154 | 92.5 Ų | 92.5 | 58% | 0.581 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.3 | -43 | 172.3 | -76 | 164.3 | 173.3 | 167.4 | -2.2 | 112 | L390 D391 A392 L397 T398 | L390-R394 WeakPolarHBondContact O-CB 3.28Å; L390-R394 WeakPolarHBondContact O-CD 3.38Å; L390-R394 VanDerWaalsContact O-CG 3.24Å; L390-R394 WeakPolarHBondContact O-CG 3.39Å; L390-R394 PolarHBondContact O-N 3.49Å; D391-R394 PolarHBondContact O-N 2.91Å; D391-R394 IonicContact OD1-CZ 2.73Å; D391-R394 IonicContact OD1-NH1 3.95Å; D391-R394 PolarHBondContact OD1-NH1 2.92Å; A392-R394 VanDerWaalsContact C-N 3.34Å; A392-R394 PolarHBondContact O-N 2.91Å; R394-L397 PolarHBondContact O-N 3.5Å; R394-T398 WeakPolarHBondContact O-CG2 3.26Å; R394-T398 PolarHBondContact O-N 2.95Å; R394-T398 PolarHBondContact O-OG1 3.49Å |
| 395 | V | 98 | Very high | 97 | Very high | 98 Ų | 98 | 95 Ų | 95 | 59% | 0.594 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.8 | -44.4 | 175.7 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | D391 A392 L393 L397 T398 H399 | D391-V395 WeakPolarHBondContact O-CG2 3.49Å; D391-V395 PolarHBondContact O-N 3.4Å; D391-V395 VanDerWaalsContact O-N 3.14Å; A392-V395 PolarHBondContact O-N 3.37Å; L393-V395 PolarHBondContact O-N 3.44Å; V395-L397 VanDerWaalsContact C-N 3.33Å; V395-L397 PolarHBondContact O-N 2.89Å; V395-T398 PolarHBondContact O-N 2.96Å; V395-T398 PolarHBondContact O-OG1 3.36Å; V395-H399 PolarHBondContact O-N 2.91Å |
| 396 | A | 97.6 | Very high | 97 | Very high | 49 Ų | 49 | 93.8 Ų | 93.8 | 41% | 0.405 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.7 | -41.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A392 L393 H399 L400 | A392-A396 PolarHBondContact O-N 3.41Å; L393-A396 PolarHBondContact O-N 3.4Å; A396-H399 WeakPolarHBondContact O-CB 3.42Å; A396-H399 PolarHBondContact O-N 2.86Å; A396-L400 WeakPolarHBondContact O-CG 3.33Å; A396-L400 PolarHBondContact O-N 2.84Å |
| 397 | L | 96.9 | Very high | 97.1 | Very high | 97 Ų | 97 | 95.8 Ų | 95.8 | 51% | 0.508 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.2 | -41.5 | 177.3 | -176.6 | 138.8 | 0 | 0 | 0 | 112.4 | L393 R394 V395 H399 L400 Q401 | L393-L397 WeakPolarHBondContact O-CB 3.41Å; L393-L397 PolarHBondContact O-N 3.38Å; R394-L397 PolarHBondContact O-N 3.5Å; V395-L397 VanDerWaalsContact C-N 3.33Å; V395-L397 PolarHBondContact O-N 2.89Å; L397-H399 VanDerWaalsContact C-N 3.34Å; L397-H399 PolarHBondContact O-N 3.33Å; L397-L400 PolarHBondContact O-N 2.66Å; L397-Q401 HydrophobicContact CD2-CG 4.37Å; L397-Q401 WeakPolarHBondContact O-CB 3.37Å; L397-Q401 VanDerWaalsContact O-CG 3.31Å; L397-Q401 WeakPolarHBondContact O-CG 3.44Å; L397-Q401 PolarHBondContact O-N 2.92Å |
| 398 | T | 97.3 | Very high | 97.2 | Very high | 81 Ų | 81 | 92.4 Ų | 92.4 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.2 | -36.3 | 174.9 | 57.2 | 0 | 0 | 0 | 0 | 112.1 | R394 V395 Q401 S402 | R394-T398 WeakPolarHBondContact O-CG2 3.26Å; R394-T398 PolarHBondContact O-N 2.95Å; R394-T398 PolarHBondContact O-OG1 3.49Å; V395-T398 PolarHBondContact O-N 2.96Å; V395-T398 PolarHBondContact O-OG1 3.36Å; T398-Q401 PolarHBondContact O-N 3.44Å; T398-S402 PolarHBondContact O-N 2.88Å |
| 399 | H | 98 | Very high | 97.3 | Very high | 126 Ų | 126 | 95 Ų | 95 | 58% | 0.583 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.7 | -50.7 | 172.4 | -175.2 | -88.8 | 0 | 0 | 0 | 111.6 | V395 A396 L397 Q401 S402 S403 | V395-H399 PolarHBondContact O-N 2.91Å; A396-H399 WeakPolarHBondContact O-CB 3.42Å; A396-H399 PolarHBondContact O-N 2.86Å; L397-H399 VanDerWaalsContact C-N 3.34Å; L397-H399 PolarHBondContact O-N 3.33Å; H399-Q401 VanDerWaalsContact C-N 3.34Å; H399-Q401 PolarHBondContact O-N 3.42Å; H399-S402 PolarHBondContact O-N 3.48Å; H399-S402 VanDerWaalsContact O-N 3.11Å; H399-S402 PolarHBondContact O-OG 2.94Å; H399-S403 PolarHBondContact O-N 3.24Å |
| 400 | L | 97.2 | Very high | 97.3 | Very high | 119 Ų | 119 | 94.4 Ų | 94.4 | 62% | 0.623 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.8 | -41 | 176.8 | -72.1 | 174.8 | 0 | 0 | 0 | 112.5 | A396 L397 S402 S403 N404 | A396-L400 WeakPolarHBondContact O-CG 3.33Å; A396-L400 PolarHBondContact O-N 2.84Å; L397-L400 PolarHBondContact O-N 2.66Å; L400-S402 VanDerWaalsContact C-N 3.35Å; L400-S402 PolarHBondContact O-N 3.13Å; L400-S403 PolarHBondContact O-N 3.04Å; L400-N404 WeakPolarHBondContact O-CB 3.44Å; L400-N404 PolarHBondContact O-N 2.88Å |
| 401 | Q | 97.9 | Very high | 97.5 | Very high | 101 Ų | 101 | 97.4 Ų | 97.4 | 47% | 0.472 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.7 | -40.7 | 173.6 | -75.9 | 179.7 | -11.7 | 0 | 0 | 112.4 | L397 T398 H399 K405 | L397-Q401 HydrophobicContact CD2-CG 4.37Å; L397-Q401 WeakPolarHBondContact O-CB 3.37Å; L397-Q401 VanDerWaalsContact O-CG 3.31Å; L397-Q401 WeakPolarHBondContact O-CG 3.44Å; L397-Q401 PolarHBondContact O-N 2.92Å; T398-Q401 PolarHBondContact O-N 3.44Å; H399-Q401 VanDerWaalsContact C-N 3.34Å; H399-Q401 PolarHBondContact O-N 3.42Å; Q401-K405 WeakPolarHBondContact O-CG 3.41Å; Q401-K405 PolarHBondContact O-N 2.73Å; Q401-K405 VanDerWaalsContact O-N 3.08Å |
| 402 | S | 96.9 | Very high | 97.5 | Very high | 70 Ų | 70 | 97 Ų | 97 | 49% | 0.49 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.4 | -42 | 176.4 | 76.4 | 0 | 0 | 0 | 0 | 112 | T398 H399 L400 K405 G406 | T398-S402 PolarHBondContact O-N 2.88Å; H399-S402 PolarHBondContact O-N 3.48Å; H399-S402 VanDerWaalsContact O-N 3.11Å; H399-S402 PolarHBondContact O-OG 2.94Å; L400-S402 VanDerWaalsContact C-N 3.35Å; L400-S402 PolarHBondContact O-N 3.13Å; S402-K405 PolarHBondContact O-N 2.98Å; S402-G406 PolarHBondContact O-N 3.37Å |
| 403 | S | 97.8 | Very high | 97.5 | Very high | 56 Ų | 56 | 97 Ų | 97 | 39% | 0.392 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 175.8 | -174.2 | 0 | 0 | 0 | 0 | 112 | H399 L400 G406 L407 | H399-S403 PolarHBondContact O-N 3.24Å; L400-S403 PolarHBondContact O-N 3.04Å; S403-G406 PolarHBondContact O-N 3.41Å; S403-L407 WeakPolarHBondContact O-CG 3.41Å; S403-L407 PolarHBondContact O-N 3.33Å |
| 404 | N | 95.5 | Very high | 97.6 | Very high | 100 Ų | 100 | 96.4 Ų | 96.4 | 54% | 0.535 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 177.9 | -167.6 | -76.6 | 0 | 0 | 0 | 111.2 | L400 G406 L407 V408 | L400-N404 WeakPolarHBondContact O-CB 3.44Å; L400-N404 PolarHBondContact O-N 2.88Å; N404-G406 VanDerWaalsContact C-N 3.31Å; N404-G406 PolarHBondContact O-N 2.67Å; N404-L407 PolarHBondContact O-N 2.89Å; N404-V408 WeakPolarHBondContact O-CG2 3.41Å; N404-V408 PolarHBondContact O-N 2.93Å |
| 405 | K | 97.9 | Very high | 97.6 | Very high | 153 Ų | 153 | 94.7 Ų | 94.7 | 67% | 0.665 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.6 | -40.5 | 172.1 | -73.1 | 171.6 | -178.3 | 178 | 0 | 112.3 | Q401 S402 H409 | Q401-K405 WeakPolarHBondContact O-CG 3.41Å; Q401-K405 PolarHBondContact O-N 2.73Å; Q401-K405 VanDerWaalsContact O-N 3.08Å; S402-K405 PolarHBondContact O-N 2.98Å; K405-H409 PolarHBondContact O-N 3.45Å |
| 406 | G | 97.6 | Very high | 97.6 | Very high | 31 Ų | 31 | 94.7 Ų | 94.7 | 32% | 0.32 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.2 | -54.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S402 S403 N404 V408 H409 D410 | S402-G406 PolarHBondContact O-N 3.37Å; S403-G406 PolarHBondContact O-N 3.41Å; N404-G406 VanDerWaalsContact C-N 3.31Å; N404-G406 PolarHBondContact O-N 2.67Å; G406-V408 VanDerWaalsContact C-N 3.29Å; G406-V408 PolarHBondContact O-N 3.19Å; G406-H409 WeakPolarHBondContact O-CA 3.49Å; G406-H409 WeakPolarHBondContact O-CB 3.24Å; G406-H409 PolarHBondContact O-N 3.26Å; G406-D410 PolarHBondContact O-N 3.43Å |
| 407 | L | 97.3 | Very high | 97.6 | Very high | 112 Ų | 112 | 96.9 Ų | 96.9 | 59% | 0.586 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.5 | -34.4 | 179.1 | -68.4 | 175.1 | 0 | 0 | 0 | 113.5 | S403 N404 K411 | S403-L407 WeakPolarHBondContact O-CG 3.41Å; S403-L407 PolarHBondContact O-N 3.33Å; N404-L407 PolarHBondContact O-N 2.89Å; L407-K411 VanDerWaalsContact O-CB 3.25Å; L407-K411 WeakPolarHBondContact O-CB 3.47Å; L407-K411 PolarHBondContact O-N 3.45Å |
| 408 | V | 97.9 | Very high | 97.6 | Very high | 86 Ų | 86 | 96 Ų | 96 | 52% | 0.521 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.1 | -38.9 | 173.9 | 169.6 | 0 | 0 | 0 | 0 | 111.3 | N404 G406 A412 | N404-V408 WeakPolarHBondContact O-CG2 3.41Å; N404-V408 PolarHBondContact O-N 2.93Å; G406-V408 VanDerWaalsContact C-N 3.29Å; G406-V408 PolarHBondContact O-N 3.19Å; V408-A412 PolarHBondContact O-N 2.81Å |
| 409 | H | 98.1 | Very high | 97.6 | Very high | 124 Ų | 124 | 96.1 Ų | 96.1 | 57% | 0.574 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.3 | -49 | 173.4 | -176.4 | 72.5 | 0 | 0 | 0 | 111.3 | K405 G406 K411 A412 V413 | K405-H409 PolarHBondContact O-N 3.45Å; G406-H409 WeakPolarHBondContact O-CA 3.49Å; G406-H409 WeakPolarHBondContact O-CB 3.24Å; G406-H409 PolarHBondContact O-N 3.26Å; H409-K411 VanDerWaalsContact C-N 3.31Å; H409-K411 PolarHBondContact O-N 2.98Å; H409-A412 WeakPolarHBondContact O-CA 3.34Å; H409-A412 WeakPolarHBondContact O-CB 3.38Å; H409-A412 PolarHBondContact O-N 3.17Å; H409-V413 WeakPolarHBondContact O-CG2 3.32Å; H409-V413 PolarHBondContact O-N 3.18Å |
| 410 | D | 98 | Very high | 97.6 | Very high | 85 Ų | 85 | 94.3 Ų | 94.3 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.4 | -40.7 | 178.4 | -63.6 | -22.4 | 0 | 0 | 0 | 111.6 | G406 A412 V413 L414 | G406-D410 PolarHBondContact O-N 3.43Å; D410-A412 VanDerWaalsContact C-N 3.33Å; D410-A412 PolarHBondContact O-N 3.4Å; D410-V413 PolarHBondContact O-N 3.49Å; D410-L414 WeakPolarHBondContact O-CB 3.29Å; D410-L414 WeakPolarHBondContact O-CG 3.41Å; D410-L414 PolarHBondContact O-N 2.85Å |
| 411 | K | 97.6 | Very high | 97.7 | Very high | 159 Ų | 159 | 93.6 Ų | 93.6 | 69% | 0.691 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.6 | -41.4 | 172.5 | -179.8 | -178.5 | 177.2 | -177.8 | 0 | 112 | L407 H409 H415 | L407-K411 VanDerWaalsContact O-CB 3.25Å; L407-K411 WeakPolarHBondContact O-CB 3.47Å; L407-K411 PolarHBondContact O-N 3.45Å; H409-K411 VanDerWaalsContact C-N 3.31Å; H409-K411 PolarHBondContact O-N 2.98Å; K411-H415 VanDerWaalsContact O-CB 3.31Å; K411-H415 WeakPolarHBondContact O-CB 3.39Å; K411-H415 PolarHBondContact O-N 2.92Å |
| 412 | A | 97.4 | Very high | 97.7 | Very high | 59 Ų | 59 | 97.1 Ų | 97.1 | 49% | 0.488 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.5 | -41.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V408 H409 D410 H415 Q416 | V408-A412 PolarHBondContact O-N 2.81Å; H409-A412 WeakPolarHBondContact O-CA 3.34Å; H409-A412 WeakPolarHBondContact O-CB 3.38Å; H409-A412 PolarHBondContact O-N 3.17Å; D410-A412 VanDerWaalsContact C-N 3.33Å; D410-A412 PolarHBondContact O-N 3.4Å; A412-H415 PolarHBondContact O-N 3.15Å; A412-Q416 WeakPolarHBondContact O-CB 3.24Å; A412-Q416 PolarHBondContact O-N 3.15Å |
| 413 | V | 98.1 | Very high | 97.7 | Very high | 61 Ų | 61 | 97 Ų | 97 | 37% | 0.37 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62 | -47.4 | 175.1 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | H409 D410 H415 Q416 Q417 | H409-V413 WeakPolarHBondContact O-CG2 3.32Å; H409-V413 PolarHBondContact O-N 3.18Å; D410-V413 PolarHBondContact O-N 3.49Å; V413-H415 VanDerWaalsContact C-N 3.32Å; V413-H415 PolarHBondContact O-N 3.04Å; V413-Q416 PolarHBondContact O-N 3.45Å; V413-Q417 WeakPolarHBondContact O-CG 3.34Å; V413-Q417 PolarHBondContact O-N 3.42Å |
| 414 | L | 97.8 | Very high | 97.7 | Very high | 104 Ų | 104 | 99.4 Ų | 99.4 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.8 | -36 | 176.1 | -73.3 | 169.5 | 0 | 0 | 0 | 112.4 | D410 Q417 C418 | D410-L414 WeakPolarHBondContact O-CB 3.29Å; D410-L414 WeakPolarHBondContact O-CG 3.41Å; D410-L414 PolarHBondContact O-N 2.85Å; L414-Q417 PolarHBondContact O-N 2.88Å; L414-C418 PolarHBondContact O-N 3.03Å; L414-C418 PolarHBondContact O-SG 3.06Å |
| 415 | H | 97.8 | Very high | 97.9 | Very high | 118 Ų | 118 | 99 Ų | 99 | 55% | 0.546 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.3 | -43.1 | 175.2 | -170.5 | 71.2 | 0 | 0 | 0 | 111.7 | K411 A412 V413 C418 L419 | K411-H415 VanDerWaalsContact O-CB 3.31Å; K411-H415 WeakPolarHBondContact O-CB 3.39Å; K411-H415 PolarHBondContact O-N 2.92Å; A412-H415 PolarHBondContact O-N 3.15Å; V413-H415 VanDerWaalsContact C-N 3.32Å; V413-H415 PolarHBondContact O-N 3.04Å; H415-C418 WeakPolarHBondContact O-CB 3.36Å; H415-C418 PolarHBondContact O-N 3.48Å; H415-L419 WeakPolarHBondContact O-CG 3.43Å; H415-L419 PolarHBondContact O-N 2.95Å |
| 416 | Q | 98 | Very high | 97.8 | Very high | 98 Ų | 98 | 96.7 Ų | 96.7 | 46% | 0.458 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.9 | -46 | 174.4 | 179.3 | 59.4 | 28.7 | 0 | 0 | 111.5 | A412 V413 C418 L419 E420 | A412-Q416 WeakPolarHBondContact O-CB 3.24Å; A412-Q416 PolarHBondContact O-N 3.15Å; V413-Q416 PolarHBondContact O-N 3.45Å; Q416-C418 VanDerWaalsContact C-N 3.32Å; Q416-C418 PolarHBondContact O-N 3.21Å; Q416-L419 WeakPolarHBondContact O-CB 3.2Å; Q416-L419 PolarHBondContact O-N 3.47Å; Q416-L419 VanDerWaalsContact O-N 3.09Å; Q416-E420 WeakPolarHBondContact CG-OE1 3.48Å; Q416-E420 PolarHBondContact NE2-OE1 2.97Å; Q416-E420 PolarHBondContact O-N 2.97Å |
| 417 | Q | 98.3 | Very high | 97.8 | Very high | 95 Ų | 95 | 99 Ų | 99 | 44% | 0.444 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.9 | -39.2 | 174.4 | -70.7 | 174.6 | 3.9 | 0 | 0 | 112.4 | V413 L414 L419 E420 L421 | V413-Q417 WeakPolarHBondContact O-CG 3.34Å; V413-Q417 PolarHBondContact O-N 3.42Å; L414-Q417 PolarHBondContact O-N 2.88Å; Q417-L419 VanDerWaalsContact C-N 3.32Å; Q417-L419 PolarHBondContact O-N 3.43Å; Q417-E420 PolarHBondContact O-N 3.49Å; Q417-L421 WeakPolarHBondContact O-CG 3.39Å; Q417-L421 PolarHBondContact O-N 3.41Å |
| 418 | C | 97.4 | Very high | 97.9 | Very high | 79 Ų | 79 | 98.6 Ų | 98.6 | 53% | 0.534 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.2 | -37.3 | 173.9 | -69.2 | 0 | 0 | 0 | 0 | 112.7 | L414 H415 Q416 R422 | L414-C418 PolarHBondContact O-N 3.03Å; L414-C418 PolarHBondContact O-SG 3.06Å; H415-C418 WeakPolarHBondContact O-CB 3.36Å; H415-C418 PolarHBondContact O-N 3.48Å; Q416-C418 VanDerWaalsContact C-N 3.32Å; Q416-C418 PolarHBondContact O-N 3.21Å; C418-R422 VanDerWaalsContact O-CB 3.27Å; C418-R422 WeakPolarHBondContact O-CB 3.44Å; C418-R422 PolarHBondContact O-N 3.45Å |
| 419 | L | 97.8 | Very high | 97.9 | Very high | 83 Ų | 83 | 102.5 Ų | 102.5 | 44% | 0.435 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70.2 | -38.5 | 176.6 | -66.9 | 173.6 | 0 | 0 | 0 | 111.9 | H415 Q416 Q417 R422 S423 | H415-L419 WeakPolarHBondContact O-CG 3.43Å; H415-L419 PolarHBondContact O-N 2.95Å; Q416-L419 WeakPolarHBondContact O-CB 3.2Å; Q416-L419 PolarHBondContact O-N 3.47Å; Q416-L419 VanDerWaalsContact O-N 3.09Å; Q417-L419 VanDerWaalsContact C-N 3.32Å; Q417-L419 PolarHBondContact O-N 3.43Å; L419-R422 PolarHBondContact O-N 2.89Å; L419-S423 PolarHBondContact O-N 3.23Å |
| 420 | E | 97.9 | Very high | 97.8 | Very high | 88 Ų | 88 | 99.8 Ų | 99.8 | 41% | 0.411 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.1 | -44.8 | 175.4 | -72.7 | 170.2 | -161 | 0 | 0 | 112.3 | Q416 Q417 R422 S423 Q424 | Q416-E420 WeakPolarHBondContact CG-OE1 3.48Å; Q416-E420 PolarHBondContact NE2-OE1 2.97Å; Q416-E420 PolarHBondContact O-N 2.97Å; Q417-E420 PolarHBondContact O-N 3.49Å; E420-R422 VanDerWaalsContact C-N 3.27Å; E420-R422 PolarHBondContact O-N 3.33Å; E420-S423 PolarHBondContact O-N 2.69Å; E420-S423 PolarHBondContact O-OG 3.13Å; E420-Q424 VanDerWaalsContact O-CG 3.32Å; E420-Q424 WeakPolarHBondContact O-CG 3.49Å; E420-Q424 PolarHBondContact O-N 2.94Å |
| 421 | L | 97.8 | Very high | 97.8 | Very high | 104 Ų | 104 | 101.7 Ų | 101.7 | 55% | 0.545 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.9 | -37.6 | 172.7 | -71.1 | 172.2 | 0 | 0 | 0 | 111.4 | Q417 Q424 V425 | Q417-L421 WeakPolarHBondContact O-CG 3.39Å; Q417-L421 PolarHBondContact O-N 3.41Å; L421-Q424 PolarHBondContact O-N 3.04Å; L421-V425 WeakPolarHBondContact O-CG2 3.41Å; L421-V425 PolarHBondContact O-N 3.36Å |
| 422 | R | 98.1 | Very high | 97.8 | Very high | 175 Ų | 175 | 97.8 Ų | 97.8 | 66% | 0.66 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65 | -39.8 | 175.1 | -176 | 174.6 | -180 | 144.7 | -0.5 | 112.3 | C418 L419 E420 V425 I426 | C418-R422 VanDerWaalsContact O-CB 3.27Å; C418-R422 WeakPolarHBondContact O-CB 3.44Å; C418-R422 PolarHBondContact O-N 3.45Å; L419-R422 PolarHBondContact O-N 2.89Å; E420-R422 VanDerWaalsContact C-N 3.27Å; E420-R422 PolarHBondContact O-N 3.33Å; R422-V425 PolarHBondContact O-N 2.89Å; R422-I426 HydrophobicContact CG-CD1 4.15Å; R422-I426 WeakPolarHBondContact O-CD1 3.33Å; R422-I426 VanDerWaalsContact O-CG1 3.28Å; R422-I426 WeakPolarHBondContact O-CG1 3.45Å; R422-I426 PolarHBondContact O-N 3.5Å |
| 423 | S | 97.9 | Very high | 97.8 | Very high | 67 Ų | 67 | 98.2 Ų | 98.2 | 47% | 0.469 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.6 | -37.7 | 177 | 73.6 | 0 | 0 | 0 | 0 | 111.9 | L419 E420 I426 S427 | L419-S423 PolarHBondContact O-N 3.23Å; E420-S423 PolarHBondContact O-N 2.69Å; E420-S423 PolarHBondContact O-OG 3.13Å; S423-I426 PolarHBondContact O-N 3.14Å; S423-S427 WeakPolarHBondContact O-CB 3.31Å; S423-S427 PolarHBondContact O-N 2.84Å |
| 424 | Q | 98.3 | Very high | 97.8 | Very high | 107 Ų | 107 | 99 Ų | 99 | 50% | 0.5 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.9 | -45.9 | 171.2 | -69.7 | 172.1 | 25 | 0 | 0 | 111.8 | E420 L421 I426 S427 L428 | E420-Q424 VanDerWaalsContact O-CG 3.32Å; E420-Q424 WeakPolarHBondContact O-CG 3.49Å; E420-Q424 PolarHBondContact O-N 2.94Å; L421-Q424 PolarHBondContact O-N 3.04Å; Q424-I426 PolarHBondContact O-N 2.83Å; Q424-S427 WeakPolarHBondContact O-CB 3.44Å; Q424-S427 PolarHBondContact O-N 3.25Å; Q424-L428 WeakPolarHBondContact O-CG 3.28Å; Q424-L428 PolarHBondContact O-N 3.45Å |
| 425 | V | 97.9 | Very high | 97.7 | Very high | 92 Ų | 92 | 97 Ų | 97 | 56% | 0.558 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.3 | -41.7 | 176 | 168.4 | 0 | 0 | 0 | 0 | 111.6 | L421 R422 R429 | L421-V425 WeakPolarHBondContact O-CG2 3.41Å; L421-V425 PolarHBondContact O-N 3.36Å; R422-V425 PolarHBondContact O-N 2.89Å; V425-R429 VanDerWaalsContact O-CB 3.28Å; V425-R429 WeakPolarHBondContact O-CB 3.35Å; V425-R429 PolarHBondContact O-N 3.33Å |
| 426 | I | 97.5 | Very high | 97.7 | Very high | 104 Ų | 104 | 95.9 Ų | 95.9 | 53% | 0.533 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 175.9 | -68.9 | 163.3 | 0 | 0 | 0 | 110.9 | R422 S423 Q424 R429 S430 | R422-I426 HydrophobicContact CG-CD1 4.15Å; R422-I426 WeakPolarHBondContact O-CD1 3.33Å; R422-I426 VanDerWaalsContact O-CG1 3.28Å; R422-I426 WeakPolarHBondContact O-CG1 3.45Å; R422-I426 PolarHBondContact O-N 3.5Å; S423-I426 PolarHBondContact O-N 3.14Å; Q424-I426 PolarHBondContact O-N 2.83Å; I426-R429 PolarHBondContact O-N 2.98Å; I426-S430 PolarHBondContact O-N 3.31Å |
| 427 | S | 97.9 | Very high | 97.6 | Very high | 78 Ų | 78 | 93.6 Ų | 93.6 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.5 | -50.3 | 177.1 | -174.2 | 0 | 0 | 0 | 0 | 112.1 | S423 Q424 R429 S430 Q431 | S423-S427 WeakPolarHBondContact O-CB 3.31Å; S423-S427 PolarHBondContact O-N 2.84Å; Q424-S427 WeakPolarHBondContact O-CB 3.44Å; Q424-S427 PolarHBondContact O-N 3.25Å; S427-R429 VanDerWaalsContact C-N 3.3Å; S427-R429 PolarHBondContact O-N 2.96Å; S427-S430 WeakPolarHBondContact O-CB 3.39Å; S427-S430 PolarHBondContact O-N 3.03Å; S427-Q431 PolarHBondContact O-N 3Å |
| 428 | L | 98.1 | Very high | 97.6 | Very high | 105 Ų | 105 | 93.8 Ų | 93.8 | 55% | 0.55 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61 | -38.2 | 176.7 | -71.4 | 173.1 | 0 | 0 | 0 | 112.1 | Q424 Q431 V432 | Q424-L428 WeakPolarHBondContact O-CG 3.28Å; Q424-L428 PolarHBondContact O-N 3.45Å; L428-Q431 WeakPolarHBondContact O-CB 3.46Å; L428-Q431 PolarHBondContact O-N 3.39Å; L428-V432 WeakPolarHBondContact O-CG2 3.49Å; L428-V432 PolarHBondContact O-N 3.02Å |
| 429 | R | 97.7 | Very high | 97.6 | Very high | 167 Ų | 167 | 95.8 Ų | 95.8 | 63% | 0.63 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.2 | -43.3 | 177.2 | -158 | 170.5 | -168.3 | -82.2 | 5.2 | 111.5 | V425 I426 S427 Q431 V432 D433 | V425-R429 VanDerWaalsContact O-CB 3.28Å; V425-R429 WeakPolarHBondContact O-CB 3.35Å; V425-R429 PolarHBondContact O-N 3.33Å; I426-R429 PolarHBondContact O-N 2.98Å; S427-R429 VanDerWaalsContact C-N 3.3Å; S427-R429 PolarHBondContact O-N 2.96Å; R429-Q431 VanDerWaalsContact C-N 3.33Å; R429-Q431 PolarHBondContact O-N 3.39Å; R429-V432 PolarHBondContact O-N 3.4Å; R429-D433 PolarHBondContact O-N 3.05Å |
| 430 | S | 96.9 | Very high | 97.5 | Very high | 67 Ų | 67 | 97.6 Ų | 97.6 | 47% | 0.469 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61 | -38.6 | 171.8 | -175.4 | 0 | 0 | 0 | 0 | 112.7 | I426 S427 V432 D433 T434 | I426-S430 PolarHBondContact O-N 3.31Å; S427-S430 WeakPolarHBondContact O-CB 3.39Å; S427-S430 PolarHBondContact O-N 3.03Å; S430-V432 VanDerWaalsContact C-N 3.35Å; S430-D433 PolarHBondContact O-N 3.25Å; S430-T434 WeakPolarHBondContact O-CB 3.43Å; S430-T434 WeakPolarHBondContact O-CG2 3.24Å; S430-T434 PolarHBondContact O-N 3.26Å; S430-T434 PolarHBondContact O-OG1 3.48Å |
| 431 | Q | 97.6 | Very high | 97.5 | Very high | 126 Ų | 126 | 97.2 Ų | 97.2 | 59% | 0.589 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.1 | -37.2 | 174.4 | -169.5 | -180 | 3.2 | 0 | 0 | 112.3 | S427 L428 R429 T434 S435 | S427-Q431 PolarHBondContact O-N 3Å; L428-Q431 WeakPolarHBondContact O-CB 3.46Å; L428-Q431 PolarHBondContact O-N 3.39Å; R429-Q431 VanDerWaalsContact C-N 3.33Å; R429-Q431 PolarHBondContact O-N 3.39Å; Q431-T434 WeakPolarHBondContact CA-OG1 3.4Å; Q431-T434 PolarHBondContact O-OG1 3.29Å; Q431-S435 WeakPolarHBondContact O-CB 3.45Å; Q431-S435 PolarHBondContact O-N 2.9Å; Q431-S435 VanDerWaalsContact O-N 3.08Å |
| 432 | V | 98 | Very high | 97.5 | Very high | 76 Ų | 76 | 99.2 Ų | 99.2 | 46% | 0.461 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.7 | -45.7 | 173.1 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | L428 R429 S430 T434 S435 Q436 | L428-V432 WeakPolarHBondContact O-CG2 3.49Å; L428-V432 PolarHBondContact O-N 3.02Å; R429-V432 PolarHBondContact O-N 3.4Å; S430-V432 VanDerWaalsContact C-N 3.35Å; V432-T434 VanDerWaalsContact C-N 3.34Å; V432-T434 PolarHBondContact O-N 3.4Å; V432-S435 PolarHBondContact O-N 3.41Å; V432-Q436 HydrophobicContact CG1-CG 4.34Å; V432-Q436 WeakPolarHBondContact O-CG 3.41Å; V432-Q436 PolarHBondContact O-N 3.19Å |
| 433 | D | 97.8 | Very high | 97.4 | Very high | 68 Ų | 68 | 94.2 Ų | 94.2 | 36% | 0.364 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.4 | -38.1 | -179.2 | -65.1 | -26.1 | 0 | 0 | 0 | 111.9 | R429 S430 T437 | R429-D433 PolarHBondContact O-N 3.05Å; S430-D433 PolarHBondContact O-N 3.25Å; D433-T437 WeakPolarHBondContact O-CB 3.47Å; D433-T437 PolarHBondContact O-N 3.22Å; D433-T437 PolarHBondContact O-OG1 3.06Å |
| 434 | T | 97.1 | Very high | 97.3 | Very high | 78 Ų | 78 | 96.4 Ų | 96.4 | 48% | 0.479 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.5 | -42.5 | 172.7 | 48 | 0 | 0 | 0 | 0 | 112 | S430 Q431 V432 Q436 T437 V438 | S430-T434 WeakPolarHBondContact O-CB 3.43Å; S430-T434 WeakPolarHBondContact O-CG2 3.24Å; S430-T434 PolarHBondContact O-N 3.26Å; S430-T434 PolarHBondContact O-OG1 3.48Å; Q431-T434 WeakPolarHBondContact CA-OG1 3.4Å; Q431-T434 PolarHBondContact O-OG1 3.29Å; V432-T434 VanDerWaalsContact C-N 3.34Å; V432-T434 PolarHBondContact O-N 3.4Å; T434-Q436 PolarHBondContact O-N 2.92Å; T434-T437 WeakPolarHBondContact O-CB 3.37Å; T434-T437 PolarHBondContact O-N 3.27Å; T434-V438 WeakPolarHBondContact O-CG2 3.29Å; T434-V438 PolarHBondContact O-N 3.46Å |
| 435 | S | 96.6 | Very high | 97.2 | Very high | 62 Ų | 62 | 96.1 Ų | 96.1 | 43% | 0.434 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 174.5 | -175.4 | 0 | 0 | 0 | 0 | 112.5 | Q431 V432 T437 V438 Q439 | Q431-S435 WeakPolarHBondContact O-CB 3.45Å; Q431-S435 PolarHBondContact O-N 2.9Å; Q431-S435 VanDerWaalsContact O-N 3.08Å; V432-S435 PolarHBondContact O-N 3.41Å; S435-T437 VanDerWaalsContact C-N 3.29Å; S435-T437 PolarHBondContact O-N 3.39Å; S435-V438 PolarHBondContact O-N 2.99Å; S435-Q439 WeakPolarHBondContact O-CG 3.04Å; S435-Q439 PolarHBondContact O-N 3.33Å |
| 436 | Q | 97.1 | Very high | 97 | Very high | 95 Ų | 95 | 93.8 Ų | 93.8 | 44% | 0.444 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.5 | -33.8 | 174.4 | -72.5 | 179.8 | 11.9 | 0 | 0 | 112.6 | V432 T434 R440 | V432-Q436 HydrophobicContact CG1-CG 4.34Å; V432-Q436 WeakPolarHBondContact O-CG 3.41Å; V432-Q436 PolarHBondContact O-N 3.19Å; T434-Q436 PolarHBondContact O-N 2.92Å; Q436-R440 PolarHBondContact O-N 3.46Å |
| 437 | T | 96.8 | Very high | 96.9 | Very high | 50 Ų | 50 | 94.3 Ų | 94.3 | 31% | 0.307 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.5 | -50.2 | 175.4 | -57.2 | 0 | 0 | 0 | 0 | 110.8 | D433 T434 S435 Q439 R440 D441 | D433-T437 WeakPolarHBondContact O-CB 3.47Å; D433-T437 PolarHBondContact O-N 3.22Å; D433-T437 PolarHBondContact O-OG1 3.06Å; T434-T437 WeakPolarHBondContact O-CB 3.37Å; T434-T437 PolarHBondContact O-N 3.27Å; S435-T437 VanDerWaalsContact C-N 3.29Å; S435-T437 PolarHBondContact O-N 3.39Å; T437-Q439 PolarHBondContact O-N 3.5Å; T437-R440 WeakPolarHBondContact O-CB 3.37Å; T437-R440 PolarHBondContact O-N 3.42Å; T437-R440 PolarHBondContact OG1-NH2 2.84Å; T437-D441 PolarHBondContact O-N 3.22Å |
| 438 | V | 97.6 | Very high | 96.7 | Very high | 98 Ų | 98 | 93.5 Ų | 93.5 | 59% | 0.594 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -57.2 | -36.9 | 175 | 173.6 | 0 | 0 | 0 | 0 | 112.1 | T434 S435 F442 | T434-V438 WeakPolarHBondContact O-CG2 3.29Å; T434-V438 PolarHBondContact O-N 3.46Å; S435-V438 PolarHBondContact O-N 2.99Å; V438-F442 WeakPolarHBondContact O-CB 3.31Å; V438-F442 PolarHBondContact O-N 2.85Å |
| 439 | Q | 96.4 | Very high | 96.4 | Very high | 121 Ų | 121 | 93.2 Ų | 93.2 | 57% | 0.565 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.4 | -43.2 | 174.1 | -75.1 | 176.1 | -6 | 0 | 0 | 112.9 | S435 T437 V443 | S435-Q439 WeakPolarHBondContact O-CG 3.04Å; S435-Q439 PolarHBondContact O-N 3.33Å; T437-Q439 PolarHBondContact O-N 3.5Å; Q439-V443 WeakPolarHBondContact O-CG2 3.37Å; Q439-V443 PolarHBondContact O-N 3.41Å; Q439-V443 VanDerWaalsContact O-N 3.1Å |
| 440 | R | 96.8 | Very high | 96 | Very high | 121 Ų | 121 | 91.2 Ų | 91.2 | 46% | 0.457 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.6 | -49.8 | 174.6 | -80.2 | -174.2 | -81.5 | 93.1 | -0.7 | 111.4 | Q436 T437 F442 V443 E444 | Q436-R440 PolarHBondContact O-N 3.46Å; T437-R440 WeakPolarHBondContact O-CB 3.37Å; T437-R440 PolarHBondContact O-N 3.42Å; T437-R440 PolarHBondContact OG1-NH2 2.84Å; R440-F442 VanDerWaalsContact C-N 3.27Å; R440-F442 PolarHBondContact O-N 3.15Å; R440-V443 PolarHBondContact O-N 3.02Å; R440-E444 WeakPolarHBondContact O-CG 3.39Å; R440-E444 PolarHBondContact O-N 2.99Å |
| 441 | D | 97 | Very high | 95.6 | Very high | 81 Ų | 81 | 94.8 Ų | 94.8 | 43% | 0.433 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.4 | -39.2 | -179.4 | -58 | -6.8 | 0 | 0 | 0 | 111.2 | T437 L445 | T437-D441 PolarHBondContact O-N 3.22Å; D441-L445 WeakPolarHBondContact O-CB 3.42Å; D441-L445 PolarHBondContact O-N 3.12Å |
| 442 | F | 97.8 | Very high | 95.4 | Very high | 146 Ų | 146 | 93 Ų | 93 | 64% | 0.64 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.1 | -42.5 | 173.8 | -179.5 | -95 | 0 | 0 | 0 | 112.5 | V438 R440 S446 | V438-F442 WeakPolarHBondContact O-CB 3.31Å; V438-F442 PolarHBondContact O-N 2.85Å; R440-F442 VanDerWaalsContact C-N 3.27Å; R440-F442 PolarHBondContact O-N 3.15Å; F442-S446 WeakPolarHBondContact O-CB 3.5Å; F442-S446 PolarHBondContact O-N 3.15Å |
| 443 | V | 96.9 | Very high | 94.8 | Very high | 69 Ų | 69 | 94.7 Ų | 94.7 | 42% | 0.418 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.1 | -47.1 | 176.6 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | Q439 R440 L445 S446 Q447 | Q439-V443 WeakPolarHBondContact O-CG2 3.37Å; Q439-V443 PolarHBondContact O-N 3.41Å; Q439-V443 VanDerWaalsContact O-N 3.1Å; R440-V443 PolarHBondContact O-N 3.02Å; V443-L445 PolarHBondContact O-N 3.41Å; V443-S446 PolarHBondContact O-N 2.9Å; V443-S446 PolarHBondContact O-OG 3.22Å; V443-Q447 VanDerWaalsContact CG1-NE2 3.34Å; V443-Q447 WeakPolarHBondContact O-CG 3.43Å; V443-Q447 PolarHBondContact O-N 2.73Å |
| 444 | E | 96.1 | Very high | 94.4 | Very high | 114 Ų | 114 | 97.1 Ų | 97.1 | 53% | 0.533 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 177.5 | -71.3 | 177.9 | -158.9 | 0 | 0 | 112.1 | R440 Q447 S448 | R440-E444 WeakPolarHBondContact O-CG 3.39Å; R440-E444 PolarHBondContact O-N 2.99Å; E444-Q447 PolarHBondContact O-N 2.75Å; E444-S448 VanDerWaalsContact O-CB 3.32Å; E444-S448 WeakPolarHBondContact O-CB 3.27Å; E444-S448 PolarHBondContact O-N 2.97Å; E444-S448 PolarHBondContact O-OG 2.93Å |
| 445 | L | 96.8 | Very high | 94.1 | Very high | 101 Ų | 101 | 96.6 Ų | 96.6 | 53% | 0.529 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 173.3 | -176 | 65.3 | 0 | 0 | 0 | 111.2 | D441 V443 Q447 S448 L449 | D441-L445 WeakPolarHBondContact O-CB 3.42Å; D441-L445 PolarHBondContact O-N 3.12Å; V443-L445 PolarHBondContact O-N 3.41Å; L445-Q447 PolarHBondContact O-N 2.92Å; L445-S448 PolarHBondContact O-N 3.47Å; L445-L449 HydrophobicContact CD1-CD1 4.36Å; L445-L449 HydrophobicContact CD1-CG 4.35Å; L445-L449 HydrophobicContact CG-CD1 3.99Å; L445-L449 HydrophobicContact CG-CG 4.4Å; L445-L449 WeakPolarHBondContact O-CB 3.42Å; L445-L449 VanDerWaalsContact O-CG 3.23Å; L445-L449 WeakPolarHBondContact O-CG 3.5Å; L445-L449 PolarHBondContact O-N 3.4Å |
| 446 | S | 93.4 | Very high | 93.6 | Very high | 43 Ų | 43 | 97.5 Ų | 97.5 | 30% | 0.301 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 177.9 | 78 | 0 | 0 | 0 | 0 | 112.3 | F442 V443 Q450 | F442-S446 WeakPolarHBondContact O-CB 3.5Å; F442-S446 PolarHBondContact O-N 3.15Å; V443-S446 PolarHBondContact O-N 2.9Å; V443-S446 PolarHBondContact O-OG 3.22Å; S446-Q450 WeakPolarHBondContact O-CB 3.31Å; S446-Q450 WeakPolarHBondContact O-CG 3.43Å; S446-Q450 PolarHBondContact O-N 3.44Å |
| 447 | Q | 94.2 | Very high | 93 | Very high | 115 Ų | 115 | 94.9 Ų | 94.9 | 54% | 0.537 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.7 | -43.1 | 175 | -69.8 | 177.3 | 21.3 | 0 | 0 | 111.4 | V443 E444 L445 L449 Q450 Q451 | V443-Q447 VanDerWaalsContact CG1-NE2 3.34Å; V443-Q447 WeakPolarHBondContact O-CG 3.43Å; V443-Q447 PolarHBondContact O-N 2.73Å; E444-Q447 PolarHBondContact O-N 2.75Å; L445-Q447 PolarHBondContact O-N 2.92Å; Q447-L449 PolarHBondContact O-N 3.49Å; Q447-Q450 WeakPolarHBondContact O-CB 3.36Å; Q447-Q450 PolarHBondContact O-N 3.49Å; Q447-Q451 WeakPolarHBondContact O-CB 3.48Å; Q447-Q451 PolarHBondContact O-N 3.39Å |
| 448 | S | 94 | Very high | 92.5 | Very high | 61 Ų | 61 | 101.2 Ų | 101.2 | 43% | 0.427 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 176.7 | -59.3 | 0 | 0 | 0 | 0 | 111.6 | E444 L445 Q451 V452 | E444-S448 VanDerWaalsContact O-CB 3.32Å; E444-S448 WeakPolarHBondContact O-CB 3.27Å; E444-S448 PolarHBondContact O-N 2.97Å; E444-S448 PolarHBondContact O-OG 2.93Å; L445-S448 PolarHBondContact O-N 3.47Å; S448-Q451 PolarHBondContact O-N 2.94Å; S448-V452 WeakPolarHBondContact O-CG2 3.37Å; S448-V452 PolarHBondContact O-N 2.86Å |
| 449 | L | 92.8 | Very high | 91.9 | Very high | 99 Ų | 99 | 102.5 Ų | 102.5 | 52% | 0.518 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.8 | -40 | 174.6 | -72.2 | 170.7 | 0 | 0 | 0 | 111.9 | L445 Q447 V452 K453 | L445-L449 HydrophobicContact CD1-CD1 4.36Å; L445-L449 HydrophobicContact CD1-CG 4.35Å; L445-L449 HydrophobicContact CG-CD1 3.99Å; L445-L449 HydrophobicContact CG-CG 4.4Å; L445-L449 WeakPolarHBondContact O-CB 3.42Å; L445-L449 VanDerWaalsContact O-CG 3.23Å; L445-L449 WeakPolarHBondContact O-CG 3.5Å; L445-L449 PolarHBondContact O-N 3.4Å; Q447-L449 PolarHBondContact O-N 3.49Å; L449-V452 PolarHBondContact O-N 3.06Å; L449-K453 WeakPolarHBondContact O-CG 3.41Å; L449-K453 PolarHBondContact O-N 2.98Å |
| 450 | Q | 87.9 | Confident | 91.3 | Very high | 125 Ų | 125 | 98 Ų | 98 | 58% | 0.584 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.2 | -42 | 171.8 | -79 | 179 | -24.3 | 0 | 0 | 111.9 | S446 Q447 K453 L454 | S446-Q450 WeakPolarHBondContact O-CB 3.31Å; S446-Q450 WeakPolarHBondContact O-CG 3.43Å; S446-Q450 PolarHBondContact O-N 3.44Å; Q447-Q450 WeakPolarHBondContact O-CB 3.36Å; Q447-Q450 PolarHBondContact O-N 3.49Å; Q450-K453 PolarHBondContact O-N 3.3Å; Q450-L454 WeakPolarHBondContact O-CG 3.48Å; Q450-L454 PolarHBondContact O-N 3.01Å |
| 451 | Q | 89.7 | Confident | 90.1 | Very high | 142 Ų | 142 | 95.8 Ų | 95.8 | 66% | 0.664 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.5 | -42.6 | 177.3 | -171.5 | 176.5 | 7.1 | 0 | 0 | 112 | Q447 S448 L454 E455 | Q447-Q451 WeakPolarHBondContact O-CB 3.48Å; Q447-Q451 PolarHBondContact O-N 3.39Å; S448-Q451 PolarHBondContact O-N 2.94Å; Q451-L454 PolarHBondContact O-N 3.25Å; Q451-E455 PolarHBondContact O-N 2.84Å |
| 452 | V | 91.9 | Very high | 89.4 | Confident | 88 Ų | 88 | 95.4 Ų | 95.4 | 53% | 0.533 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 173.5 | 170.8 | 0 | 0 | 0 | 0 | 111 | S448 L449 L454 E455 L456 | S448-V452 WeakPolarHBondContact O-CG2 3.37Å; S448-V452 PolarHBondContact O-N 2.86Å; L449-V452 PolarHBondContact O-N 3.06Å; V452-L454 PolarHBondContact O-N 2.76Å; V452-E455 PolarHBondContact O-N 2.99Å; V452-L456 HydrophobicContact CG1-CD1 4.1Å; V452-L456 HydrophobicContact CG1-CG 4.48Å; V452-L456 WeakPolarHBondContact O-CG 3.41Å; V452-L456 PolarHBondContact O-N 3.33Å |
| 453 | K | 87.3 | Confident | 88.4 | Confident | 111 Ų | 111 | 94.5 Ų | 94.5 | 48% | 0.483 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 174.3 | -77 | -173.6 | 174.7 | -161.4 | 0 | 112.3 | L449 Q450 E455 L456 I457 | L449-K453 WeakPolarHBondContact O-CG 3.41Å; L449-K453 PolarHBondContact O-N 2.98Å; Q450-K453 PolarHBondContact O-N 3.3Å; K453-E455 PolarHBondContact O-N 2.87Å; K453-L456 PolarHBondContact O-N 3.38Å; K453-I457 WeakPolarHBondContact O-CD1 3.46Å; K453-I457 VanDerWaalsContact O-CG1 3.27Å; K453-I457 WeakPolarHBondContact O-CG1 3.42Å; K453-I457 PolarHBondContact O-N 3.18Å |
| 454 | L | 89 | Confident | 87.4 | Confident | 119 Ų | 119 | 98.9 Ų | 98.9 | 62% | 0.623 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.9 | -38.4 | 177.3 | -72 | 170.5 | 0 | 0 | 0 | 112.5 | Q450 Q451 V452 I457 R458 | Q450-L454 WeakPolarHBondContact O-CG 3.48Å; Q450-L454 PolarHBondContact O-N 3.01Å; Q451-L454 PolarHBondContact O-N 3.25Å; V452-L454 PolarHBondContact O-N 2.76Å; L454-I457 PolarHBondContact O-N 2.88Å; L454-R458 PolarHBondContact O-N 3.26Å |
| 455 | E | 89.5 | Confident | 86.4 | Confident | 68 Ų | 68 | 97.5 Ų | 97.5 | 32% | 0.318 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.9 | -38.2 | 176.5 | -179.7 | 55.6 | -157.4 | 0 | 0 | 112.1 | Q451 V452 K453 I457 R458 Q459 | Q451-E455 PolarHBondContact O-N 2.84Å; V452-E455 PolarHBondContact O-N 2.99Å; K453-E455 PolarHBondContact O-N 2.87Å; E455-I457 VanDerWaalsContact C-N 3.34Å; E455-I457 PolarHBondContact O-N 3.45Å; E455-R458 WeakPolarHBondContact O-CB 3.47Å; E455-R458 PolarHBondContact O-N 3.42Å; E455-R458 IonicContact OE1-CZ 3.58Å; E455-R458 IonicContact OE1-NE 2.76Å; E455-R458 PolarHBondContact OE1-NE 3.35Å; E455-R458 IonicContact OE1-NH2 3.54Å; E455-R458 PolarHBondContact OE1-NH2 2.86Å; E455-R458 IonicContact OE2-CZ 3.59Å; E455-R458 IonicContact OE2-NE 2.66Å; E455-R458 PolarHBondContact OE2-NE 3.49Å; E455-R458 IonicContact OE2-NH2 3.55Å; E455-Q459 WeakPolarHBondContact O-CG 3.44Å; E455-Q459 PolarHBondContact O-N 3.25Å; E455-Q459 PolarHBondContact OE1-NE2 3.33Å |
| 456 | L | 86.7 | Confident | 85.5 | Confident | 81 Ų | 81 | 94.1 Ų | 94.1 | 42% | 0.424 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.6 | -41 | 171.4 | -72.2 | 169.9 | 0 | 0 | 0 | 111.8 | V452 K453 R458 Q459 A460 I469 | V452-L456 HydrophobicContact CG1-CD1 4.1Å; V452-L456 HydrophobicContact CG1-CG 4.48Å; V452-L456 WeakPolarHBondContact O-CG 3.41Å; V452-L456 PolarHBondContact O-N 3.33Å; K453-L456 PolarHBondContact O-N 3.38Å; L456-R458 VanDerWaalsContact C-N 3.32Å; L456-R458 PolarHBondContact O-N 3.43Å; L456-Q459 PolarHBondContact O-N 3.06Å; L456-A460 PolarHBondContact O-N 3.47Å; L456-A460 VanDerWaalsContact O-N 3.08Å; L456-I469 HydrophobicContact CB-CD1 4.17Å; L456-I469 HydrophobicContact CB-CG2 3.93Å |
| 457 | I | 85.1 | Confident | 84.8 | Confident | 40 Ų | 40 | 97.1 Ų | 97.1 | 21% | 0.205 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -61.6 | -40.5 | 173.3 | -68.6 | 161.7 | 0 | 0 | 0 | 111 | K453 L454 E455 Q459 A460 V466 I469 L470 | K453-I457 WeakPolarHBondContact O-CD1 3.46Å; K453-I457 VanDerWaalsContact O-CG1 3.27Å; K453-I457 WeakPolarHBondContact O-CG1 3.42Å; K453-I457 PolarHBondContact O-N 3.18Å; L454-I457 PolarHBondContact O-N 2.88Å; E455-I457 VanDerWaalsContact C-N 3.34Å; E455-I457 PolarHBondContact O-N 3.45Å; I457-Q459 VanDerWaalsContact C-N 3.26Å; I457-Q459 PolarHBondContact O-N 2.99Å; I457-A460 PolarHBondContact O-N 2.86Å; I457-V466 HydrophobicContact CG1-CG1 4.46Å; I457-V466 HydrophobicContact CG2-CG1 3.96Å; I457-V466 HydrophobicContact CG2-CG2 4.28Å; I457-I469 HydrophobicContact CD1-CG2 4.41Å; I457-I469 HydrophobicContact CG1-CB 4.29Å; I457-I469 HydrophobicContact CG1-CG2 3.77Å; I457-L470 HydrophobicContact CD1-CD1 4.27Å; I457-L470 HydrophobicContact CD1-CD2 3.6Å; I457-L470 HydrophobicContact CD1-CG 3.7Å; I457-L470 HydrophobicContact CG1-CG 4.45Å |
| 458 | R | 85.1 | Confident | 84 | Confident | 182 Ų | 182 | 98.2 Ų | 98.2 | 69% | 0.687 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.2 | -28.3 | 176.6 | -164 | -173.3 | 71.7 | 82.2 | 2.1 | 113 | L454 E455 L456 | L454-R458 PolarHBondContact O-N 3.26Å; E455-R458 WeakPolarHBondContact O-CB 3.47Å; E455-R458 PolarHBondContact O-N 3.42Å; E455-R458 IonicContact OE1-CZ 3.58Å; E455-R458 IonicContact OE1-NE 2.76Å; E455-R458 PolarHBondContact OE1-NE 3.35Å; E455-R458 IonicContact OE1-NH2 3.54Å; E455-R458 PolarHBondContact OE1-NH2 2.86Å; E455-R458 IonicContact OE2-CZ 3.59Å; E455-R458 IonicContact OE2-NE 2.66Å; E455-R458 PolarHBondContact OE2-NE 3.49Å; E455-R458 IonicContact OE2-NH2 3.55Å; L456-R458 VanDerWaalsContact C-N 3.32Å; L456-R458 PolarHBondContact O-N 3.43Å |
| 459 | Q | 85.8 | Confident | 83.3 | Confident | 126 Ų | 126 | 97.6 Ų | 97.6 | 59% | 0.589 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -88.9 | -13.7 | 179.2 | -68 | 177.1 | 19.4 | 0 | 0 | 113.7 | E455 L456 I457 | E455-Q459 WeakPolarHBondContact O-CG 3.44Å; E455-Q459 PolarHBondContact O-N 3.25Å; E455-Q459 PolarHBondContact OE1-NE2 3.33Å; L456-Q459 PolarHBondContact O-N 3.06Å; I457-Q459 VanDerWaalsContact C-N 3.26Å; I457-Q459 PolarHBondContact O-N 2.99Å |
| 460 | A | 83.6 | Confident | 82.5 | Confident | 25 Ų | 25 | 97 Ų | 97 | 21% | 0.207 | 49% | 0.49 | C | S | . | . | trans | -68.9 | 131.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L456 I457 Q465 V466 I469 | L456-A460 PolarHBondContact O-N 3.47Å; L456-A460 VanDerWaalsContact O-N 3.08Å; I457-A460 PolarHBondContact O-N 2.86Å; A460-Q465 HydrophobicContact CB-CB 4.11Å; A460-V466 HydrophobicContact CB-CG2 3.63Å; A460-I469 HydrophobicContact CB-CD1 4.14Å | ||
| 461 | G | 72.1 | Confident | 81.6 | Confident | 75 Ų | 75 | 93.4 Ų | 93.4 | 77% | 0.773 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -89.3 | -8.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 462 | N | 81.1 | Confident | 80.2 | Confident | 74 Ų | 74 | 93.2 Ų | 93.2 | 40% | 0.396 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -150.1 | 160.4 | -177.3 | 58.3 | 46.9 | 0 | 0 | 0 | 111.7 | E464 Q465 V466 | N462-E464 VanDerWaalsContact C-N 3.31Å; N462-E464 PolarHBondContact O-N 3.3Å; N462-Q465 PolarHBondContact ND2-NE2 3.12Å; N462-Q465 VanDerWaalsContact OD1-CB 3.25Å; N462-Q465 WeakPolarHBondContact OD1-CB 3.23Å; N462-Q465 WeakPolarHBondContact OD1-CG 3.35Å; N462-Q465 PolarHBondContact OD1-N 3.26Å; N462-Q465 PolarHBondContact OD1-OE1 2.92Å; N462-V466 PolarHBondContact O-N 2.93Å |
| 463 | L | 77 | Confident | 78.3 | Confident | 127 Ų | 127 | 92.8 Ų | 92.8 | 67% | 0.665 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -70.3 | -25.7 | -172.6 | -168.7 | 67.9 | 0 | 0 | 0 | 113.3 | V466 K467 | L463-V466 PolarHBondContact O-N 3.46Å; L463-K467 PolarHBondContact O-N 2.89Å |
| 464 | E | 75.6 | Confident | 76.6 | Confident | 161 Ų | 161 | 93.2 Ų | 93.2 | 75% | 0.752 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -71.6 | -42.2 | 180 | -67.1 | 176.6 | 164.5 | 0 | 0 | 111.3 | N462 V466 K467 E468 | N462-E464 VanDerWaalsContact C-N 3.31Å; N462-E464 PolarHBondContact O-N 3.3Å; E464-V466 VanDerWaalsContact C-N 3.3Å; E464-V466 PolarHBondContact O-N 3.06Å; E464-K467 PolarHBondContact O-N 3.1Å; E464-E468 PolarHBondContact O-N 3.22Å; E464-E468 VanDerWaalsContact O-N 3.12Å |
| 465 | Q | 76.4 | Confident | 74.7 | Confident | 84 Ų | 84 | 91 Ų | 91 | 39% | 0.393 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.3 | -36.8 | 172.4 | -74.2 | 164.5 | 4 | 0 | 0 | 112.3 | A460 N462 K467 E468 I469 | A460-Q465 HydrophobicContact CB-CB 4.11Å; N462-Q465 PolarHBondContact ND2-NE2 3.12Å; N462-Q465 VanDerWaalsContact OD1-CB 3.25Å; N462-Q465 WeakPolarHBondContact OD1-CB 3.23Å; N462-Q465 WeakPolarHBondContact OD1-CG 3.35Å; N462-Q465 PolarHBondContact OD1-N 3.26Å; N462-Q465 PolarHBondContact OD1-OE1 2.92Å; Q465-K467 PolarHBondContact O-N 3.38Å; Q465-E468 PolarHBondContact O-N 2.95Å; Q465-I469 WeakPolarHBondContact O-CD1 3.44Å; Q465-I469 VanDerWaalsContact O-CG1 3.23Å; Q465-I469 WeakPolarHBondContact O-CG1 3.39Å; Q465-I469 PolarHBondContact O-N 2.69Å |
| 466 | V | 78.3 | Confident | 72.7 | Confident | 30 Ų | 30 | 97.5 Ų | 97.5 | 18% | 0.182 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -63.1 | -41 | 176.7 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | I457 A460 N462 L463 E464 I469 L470 | I457-V466 HydrophobicContact CG1-CG1 4.46Å; I457-V466 HydrophobicContact CG2-CG1 3.96Å; I457-V466 HydrophobicContact CG2-CG2 4.28Å; A460-V466 HydrophobicContact CB-CG2 3.63Å; N462-V466 PolarHBondContact O-N 2.93Å; L463-V466 PolarHBondContact O-N 3.46Å; E464-V466 VanDerWaalsContact C-N 3.3Å; E464-V466 PolarHBondContact O-N 3.06Å; V466-I469 PolarHBondContact O-N 2.76Å; V466-L470 HydrophobicContact CG1-CD1 3.99Å; V466-L470 PolarHBondContact O-N 3.05Å |
| 467 | K | 77.1 | Confident | 70.7 | Confident | 107 Ų | 107 | 97.2 Ų | 97.2 | 47% | 0.465 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.8 | -37.6 | 176 | -71.4 | -178.6 | 174.5 | -170.6 | 0 | 112.6 | L463 E464 Q465 G471 E472 | L463-K467 PolarHBondContact O-N 2.89Å; E464-K467 PolarHBondContact O-N 3.1Å; Q465-K467 PolarHBondContact O-N 3.38Å; K467-G471 PolarHBondContact O-N 2.99Å; K467-E472 PolarHBondContact O-N 2.89Å |
| 468 | E | 77.5 | Confident | 68.6 | Low | 138 Ų | 138 | 104.5 Ų | 104.5 | 65% | 0.645 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.5 | -43.9 | 175.5 | -168 | 175 | -168.7 | 0 | 0 | 111.6 | E464 Q465 L470 G471 | E464-E468 PolarHBondContact O-N 3.22Å; E464-E468 VanDerWaalsContact O-N 3.12Å; Q465-E468 PolarHBondContact O-N 2.95Å; E468-L470 PolarHBondContact O-N 2.69Å; E468-G471 PolarHBondContact O-N 2.9Å; E468-G471 VanDerWaalsContact O-N 3.14Å |
| 469 | I | 79 | Confident | 66.6 | Low | 47 Ų | 47 | 100.6 Ų | 100.6 | 24% | 0.241 | 58% | 0.583 | C | S | . | * | H | α-helix | trans | -67.5 | -35.1 | 178.9 | -65.2 | 158.8 | 0 | 0 | 0 | 112.5 | L456 I457 A460 Q465 V466 G471 | L456-I469 HydrophobicContact CB-CD1 4.17Å; L456-I469 HydrophobicContact CB-CG2 3.93Å; I457-I469 HydrophobicContact CD1-CG2 4.41Å; I457-I469 HydrophobicContact CG1-CB 4.29Å; I457-I469 HydrophobicContact CG1-CG2 3.77Å; A460-I469 HydrophobicContact CB-CD1 4.14Å; Q465-I469 WeakPolarHBondContact O-CD1 3.44Å; Q465-I469 VanDerWaalsContact O-CG1 3.23Å; Q465-I469 WeakPolarHBondContact O-CG1 3.39Å; Q465-I469 PolarHBondContact O-N 2.69Å; V466-I469 PolarHBondContact O-N 2.76Å; I469-G471 VanDerWaalsContact C-N 3.27Å |
| 470 | L | 76.1 | Confident | 64.7 | Low | 87 Ų | 87 | 103.6 Ų | 103.6 | 46% | 0.455 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -73.9 | -17.2 | 174.1 | -77.6 | 166.1 | 0 | 0 | 0 | 113.3 | I457 V466 E468 E472 | I457-L470 HydrophobicContact CD1-CD1 4.27Å; I457-L470 HydrophobicContact CD1-CD2 3.6Å; I457-L470 HydrophobicContact CD1-CG 3.7Å; I457-L470 HydrophobicContact CG1-CG 4.45Å; V466-L470 HydrophobicContact CG1-CD1 3.99Å; V466-L470 PolarHBondContact O-N 3.05Å; E468-L470 PolarHBondContact O-N 2.69Å; L470-E472 HydrophobicContact CB-CG 4.3Å |
| 471 | G | 69.4 | Low | 63.4 | Low | 49 Ų | 49 | 108 Ų | 108 | 51% | 0.505 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 79.2 | 15.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | K467 E468 I469 S473 | K467-G471 PolarHBondContact O-N 2.99Å; E468-G471 PolarHBondContact O-N 2.9Å; E468-G471 VanDerWaalsContact O-N 3.14Å; I469-G471 VanDerWaalsContact C-N 3.27Å; G471-S473 PolarHBondContact O-N 3.33Å |
| 472 | E | 61.7 | Low | 62 | Low | 139 Ų | 139 | 108.8 Ų | 108.8 | 65% | 0.65 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -2.2 | 178.7 | -72.2 | -171.2 | 149.1 | 0 | 0 | 113.4 | K467 L470 V474 | K467-E472 PolarHBondContact O-N 2.89Å; L470-E472 HydrophobicContact CB-CG 4.3Å; E472-V474 PolarHBondContact O-N 3.23Å |
| 473 | S | 50.1 | Low | 60.1 | Low | 79 Ų | 79 | 112.9 Ų | 112.9 | 55% | 0.552 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -3.5 | -176.5 | 52.9 | 0 | 0 | 0 | 0 | 115.5 | G471 | G471-S473 PolarHBondContact O-N 3.33Š|
| 474 | V | 52.2 | Low | 58.7 | Low | 120 Ų | 120 | 110.9 Ų | 110.9 | 73% | 0.727 | 65% | 0.646 | S | S | * | * | trans | -131.4 | 84.5 | 178.3 | -172 | 0 | 0 | 0 | 0 | 110.8 | E472 | E472-V474 PolarHBondContact O-N 3.23Š| ||
| 475 | G | 50 | Low | 57.3 | Low | 72 Ų | 72 | 112.8 Ų | 112.8 | 74% | 0.742 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -140.2 | 2.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 476 | E | 46.4 | Very low | 56.3 | Low | 205 Ų | 205 | 114.2 Ų | 114.2 | 96% | 0.958 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -125.5 | 9 | -179.8 | -70.3 | -166 | 144 | 0 | 0 | 114.6 | ||
| 477 | A | 45.2 | Very low | 55.2 | Low | 74 Ų | 74 | 118.6 Ų | 118.6 | 61% | 0.612 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -144.8 | 127.1 | 158.5 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||
| 478 | E | 41.1 | Very low | 54 | Low | 194 Ų | 194 | 119.3 Ų | 119.3 | 91% | 0.907 | 73% | 0.732 | S | S | * | * | cis | -152.2 | 114.9 | 34.5 | -174.8 | 167.3 | -144.7 | 0 | 0 | 109.4 | ||||
| 479 | A | 43.2 | Very low | 52.6 | Low | 100 Ų | 100 | 118.2 Ų | 118.2 | 83% | 0.826 | 74% | 0.737 | S | S | * | * | trans | -118.9 | 90.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 480 | Q | 45.1 | Very low | 50.9 | Low | 189 Ų | 189 | 122.6 Ų | 122.6 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | trans | -172.3 | 167.9 | 153.3 | -107.9 | 178.6 | 16.2 | 0 | 0 | 111.7 | ||||
| 481 | P | 56.8 | Low | 49.3 | Very low | 117 Ų | 117 | 125 Ų | 125 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | -128.4 | -159.8 | -123.2 | 42.3 | -23.6 | 0 | 0 | 0 | 114.5 | |||||
| 482 | A | 42.5 | Very low | 47.8 | Very low | 91 Ų | 91 | 130.4 Ų | 130.4 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | trans | 85.6 | 151.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 483 | D | 41.4 | Very low | 46.8 | Very low | 160 Ų | 160 | 129.8 Ų | 129.8 | 86% | 0.856 | 82% | 0.822 | S | S | * | * | cis | -146.8 | 170.3 | 2.2 | -144.9 | -21.1 | 0 | 0 | 0 | 112 | ||||
| 484 | A | 46.7 | Very low | 46.5 | Very low | 85 Ų | 85 | 134 Ų | 134 | 70% | 0.702 | 84% | 0.844 | S | S | * | * | trans | -89.5 | 146.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 485 | S | 47.1 | Very low | 46 | Very low | 201 Ų | 201 | 135.3 Ų | 135.3 | 100% | 1.406 | 86% | 0.855 | S | S | * | * | trans | -162.9 | 0 | 149.8 | -77.1 | 0 | 0 | 0 | 0 | 110.4 |
Retrieved 485 of 485 residues in 304.3 ms
(Link to these results)