| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.9 | Very low | 37 | Very low | 230 Ų | 230 | 160.8 Ų | 160.8 | 100% | 1.133 | 82% | 0.816 | S | S | * | * | 0 | 102.4 | 0 | -70.4 | -178.8 | 178.7 | 0 | 0 | 106.5 | |||||
| 2 | Y | 36.2 | Very low | 36.9 | Very low | 197 Ų | 197 | 162.7 Ų | 162.7 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | cis | -155.9 | 123.7 | 9.3 | -103.4 | -91.3 | 0 | 0 | 0 | 106 | ||||
| 3 | D | 37 | Very low | 37.1 | Very low | 124 Ų | 124 | 164.1 Ų | 164.1 | 66% | 0.663 | 82% | 0.816 | S | S | * | * | 70.4 | 111.8 | 115.8 | -82.9 | -23.8 | 0 | 0 | 0 | 116.2 | |||||
| 4 | N | 40.6 | Very low | 37.1 | Very low | 148 Ų | 148 | 161.5 Ų | 161.5 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | 75 | 136.1 | 72.3 | -90.8 | -23.3 | 0 | 0 | 0 | 115.6 | |||||
| 5 | M | 37.4 | Very low | 37.6 | Very low | 166 Ų | 166 | 164.3 Ų | 164.3 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | 86.3 | 94.6 | 164.6 | -71.2 | 172.4 | 50 | 0 | 0 | 119.3 | ||||
| 6 | S | 36.3 | Very low | 38.2 | Very low | 126 Ų | 126 | 163.7 Ų | 163.7 | 88% | 0.881 | 81% | 0.812 | S | S | * | * | -148 | 100.4 | 116.3 | -89.4 | 0 | 0 | 0 | 0 | 110.7 | M8 | S6-M8 PolarHBondContact O-N 3.26Š| |||
| 7 | T | 41.6 | Very low | 39.3 | Very low | 124 Ų | 124 | 164.4 Ų | 164.4 | 76% | 0.761 | 81% | 0.812 | S | S | * | * | trans | -59.5 | 95 | 167.3 | -48.8 | 0 | 0 | 0 | 0 | 109.1 | V9 | T7-V9 PolarHBondContact O-N 2.7Š| ||
| 8 | M | 34.8 | Very low | 40.9 | Very low | 176 Ų | 176 | 166.3 Ų | 166.3 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | trans | -82.3 | 103.5 | 162.4 | -152.4 | 169.1 | -171.3 | 0 | 0 | 106.6 | S6 Y10 | S6-M8 PolarHBondContact O-N 3.26Å; M8-Y10 PolarHBondContact O-N 3.1Å | ||
| 9 | V | 37.2 | Very low | 42.4 | Very low | 113 Ų | 113 | 161.4 Ų | 161.4 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | trans | -46.8 | 106.3 | 174.6 | 175.3 | 0 | 0 | 0 | 0 | 108.3 | T7 I11 | T7-V9 PolarHBondContact O-N 2.7Å; V9-I11 VanDerWaalsContact C-N 3.29Å; V9-I11 PolarHBondContact O-N 3.23Å | ||
| 10 | Y | 34.1 | Very low | 44.4 | Very low | 226 Ų | 226 | 157 Ų | 157 | 89% | 0.886 | 78% | 0.775 | S | S | * | * | trans | -61.2 | 101 | 160.3 | -98.2 | -96.3 | 0 | 0 | 0 | 105.6 | M8 K12 | M8-Y10 PolarHBondContact O-N 3.1Å; Y10-K12 PolarHBondContact O-N 2.78Å | ||
| 11 | I | 35.4 | Very low | 46 | Very low | 139 Ų | 139 | 152.8 Ų | 152.8 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | trans | -55.1 | 114.7 | 155.9 | -66 | 172.4 | 0 | 0 | 0 | 103.7 | V9 E13 | V9-I11 VanDerWaalsContact C-N 3.29Å; V9-I11 PolarHBondContact O-N 3.23Å; I11-E13 PolarHBondContact O-N 3.18Å | ||
| 12 | K | 36.2 | Very low | 48.2 | Very low | 183 Ų | 183 | 147.7 Ų | 147.7 | 80% | 0.796 | 73% | 0.731 | S | S | * | * | trans | -51.9 | 96.5 | 162.7 | -104.9 | 177.3 | 169.9 | 179.2 | 0 | 105.3 | Y10 D14 | Y10-K12 PolarHBondContact O-N 2.78Å; K12-D14 PolarHBondContact O-N 3.43Å | ||
| 13 | E | 38.9 | Very low | 50.6 | Low | 181 Ų | 181 | 142.7 Ų | 142.7 | 85% | 0.846 | 72% | 0.715 | S | S | * | * | trans | -61 | 92.8 | 152.3 | -76.6 | -174.3 | 161.5 | 0 | 0 | 103.6 | I11 K15 | I11-E13 PolarHBondContact O-N 3.18Å; E13-K15 PolarHBondContact O-N 3.47Å | ||
| 14 | D | 38.1 | Very low | 53 | Low | 128 Ų | 128 | 140.3 Ų | 140.3 | 68% | 0.684 | 70% | 0.701 | S | S | * | * | trans | -44.2 | 122.3 | 156.2 | -84.2 | -25.6 | 0 | 0 | 0 | 105 | K12 L16 | K12-D14 PolarHBondContact O-N 3.43Å; D14-L16 PolarHBondContact O-N 3.14Å | ||
| 15 | K | 44.4 | Very low | 55.3 | Low | 204 Ų | 204 | 134.3 Ų | 134.3 | 89% | 0.887 | 67% | 0.669 | S | S | * | * | trans | -58.1 | 84.7 | 174.2 | -77.3 | 177.2 | 174.7 | 177.6 | 0 | 106.9 | E13 E17 | E13-K15 PolarHBondContact O-N 3.47Å; K15-E17 PolarHBondContact O-N 3.38Å | ||
| 16 | L | 47.5 | Very low | 57.8 | Low | 154 Ų | 154 | 129.1 Ų | 129.1 | 81% | 0.806 | 65% | 0.649 | S | S | * | * | trans | -59.1 | 105.3 | 153.3 | -99.2 | 100.2 | 0 | 0 | 0 | 103 | D14 K18 | D14-L16 PolarHBondContact O-N 3.14Å; L16-K18 VanDerWaalsContact C-N 3.33Å; L16-K18 PolarHBondContact O-N 3.13Å | ||
| 17 | E | 57 | Low | 60.5 | Low | 176 Ų | 176 | 128 Ų | 128 | 82% | 0.822 | 63% | 0.629 | S | S | * | * | trans | -46.7 | 106.5 | 168.2 | -70.5 | 178.3 | 157.5 | 0 | 0 | 106.4 | K15 L19 | K15-E17 PolarHBondContact O-N 3.38Å; E17-L19 VanDerWaalsContact C-N 3.32Å; E17-L19 PolarHBondContact O-N 2.85Å | ||
| 18 | K | 67 | Low | 62.9 | Low | 198 Ų | 198 | 122.9 Ų | 122.9 | 86% | 0.861 | 60% | 0.597 | S | S | * | * | trans | -63.1 | 102.1 | -179.9 | -78.7 | -177.6 | 177.1 | 176.9 | 0 | 105.7 | L16 T20 | L16-K18 VanDerWaalsContact C-N 3.33Å; L16-K18 PolarHBondContact O-N 3.13Å; K18-T20 PolarHBondContact O-N 2.84Å | ||
| 19 | L | 70.6 | Confident | 65.6 | Low | 74 Ų | 74 | 119.5 Ų | 119.5 | 39% | 0.387 | 58% | 0.577 | S | S | . | * | trans | -52.1 | 128.2 | 177.6 | -74.1 | 160.1 | 0 | 0 | 0 | 108.2 | E17 E23 I24 K27 | E17-L19 VanDerWaalsContact C-N 3.32Å; E17-L19 PolarHBondContact O-N 2.85Å; L19-E23 WeakPolarHBondContact CA-OE2 3.46Å; L19-E23 HydrophobicContact CB-CB 4.47Å; L19-E23 HydrophobicContact CD2-CB 4.01Å; L19-I24 HydrophobicContact CB-CD1 4.17Å; L19-I24 HydrophobicContact CB-CG1 3.63Å; L19-K27 HydrophobicContact CD1-CD 4.43Å; L19-K27 HydrophobicContact CD2-CD 4.22Å | ||
| 20 | T | 82.3 | Confident | 68.3 | Low | 73 Ų | 73 | 119.9 Ų | 119.9 | 45% | 0.448 | 57% | 0.572 | S | S | . | * | trans | -64.1 | 153.4 | 175.5 | 61.7 | 0 | 0 | 0 | 0 | 109.1 | K18 D22 E23 I24 | K18-T20 PolarHBondContact O-N 2.84Å; T20-D22 PolarHBondContact O-N 3.35Å; T20-D22 VanDerWaalsContact O-N 3.14Å; T20-E23 PolarHBondContact N-OE2 3.19Å; T20-E23 WeakPolarHBondContact O-CB 3.26Å; T20-E23 PolarHBondContact O-N 3.11Å; T20-E23 WeakPolarHBondContact OG1-CB 3.47Å; T20-E23 WeakPolarHBondContact OG1-CG 3.32Å; T20-E23 PolarHBondContact OG1-N 3.32Å; T20-E23 PolarHBondContact OG1-OE2 2.68Å; T20-I24 WeakPolarHBondContact O-CG1 3.13Å; T20-I24 PolarHBondContact O-N 3.35Å | ||
| 21 | Q | 77.3 | Confident | 71.2 | Confident | 69 Ų | 69 | 112.8 Ų | 112.8 | 32% | 0.322 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -54.4 | -36.6 | 179.8 | -174.7 | -178.8 | -15.9 | 0 | 0 | 111.6 | I24 I25 N97 | Q21-I24 PolarHBondContact O-N 3.14Å; Q21-I25 HydrophobicContact CG-CD1 4.13Å; Q21-I25 WeakPolarHBondContact O-CD1 3.5Å; Q21-I25 WeakPolarHBondContact O-CG1 3.35Å; Q21-I25 PolarHBondContact O-N 3.06Å; Q21-N97 PolarHBondContact NE2-OD1 3.34Å |
| 22 | D | 82.1 | Confident | 73.9 | Confident | 123 Ų | 123 | 107.5 Ų | 107.5 | 66% | 0.658 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.4 | -38.4 | 176.8 | -70.4 | -28.3 | 0 | 0 | 0 | 112.9 | T20 I25 S26 | T20-D22 PolarHBondContact O-N 3.35Å; T20-D22 VanDerWaalsContact O-N 3.14Å; D22-I25 PolarHBondContact O-N 3.27Å; D22-S26 VanDerWaalsContact O-CB 3.3Å; D22-S26 WeakPolarHBondContact O-CB 3.2Å; D22-S26 PolarHBondContact O-N 2.88Å |
| 23 | E | 87.7 | Confident | 76.7 | Confident | 92 Ų | 92 | 105 Ų | 105 | 43% | 0.43 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.7 | -39.7 | 174 | -75.4 | 163.8 | 175.5 | 0 | 0 | 111.7 | L19 T20 S26 K27 | L19-E23 WeakPolarHBondContact CA-OE2 3.46Å; L19-E23 HydrophobicContact CB-CB 4.47Å; L19-E23 HydrophobicContact CD2-CB 4.01Å; T20-E23 PolarHBondContact N-OE2 3.19Å; T20-E23 WeakPolarHBondContact O-CB 3.26Å; T20-E23 PolarHBondContact O-N 3.11Å; T20-E23 WeakPolarHBondContact OG1-CB 3.47Å; T20-E23 WeakPolarHBondContact OG1-CG 3.32Å; T20-E23 PolarHBondContact OG1-N 3.32Å; T20-E23 PolarHBondContact OG1-OE2 2.68Å; E23-S26 PolarHBondContact O-N 2.87Å; E23-K27 WeakPolarHBondContact O-CB 3.3Å; E23-K27 VanDerWaalsContact O-CG 3.28Å; E23-K27 WeakPolarHBondContact O-CG 3.39Å; E23-K27 PolarHBondContact O-N 2.89Å |
| 24 | I | 86.5 | Confident | 79.3 | Confident | 73 Ų | 73 | 98.4 Ų | 98.4 | 37% | 0.374 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61 | -50.3 | 174.9 | -63.7 | 172.2 | 0 | 0 | 0 | 109.4 | L19 T20 Q21 S26 K27 T28 M89 | L19-I24 HydrophobicContact CB-CD1 4.17Å; L19-I24 HydrophobicContact CB-CG1 3.63Å; T20-I24 WeakPolarHBondContact O-CG1 3.13Å; T20-I24 PolarHBondContact O-N 3.35Å; Q21-I24 PolarHBondContact O-N 3.14Å; I24-S26 VanDerWaalsContact C-N 3.32Å; I24-S26 PolarHBondContact O-N 3.06Å; I24-K27 PolarHBondContact O-N 3.42Å; I24-T28 WeakPolarHBondContact O-CB 3.3Å; I24-T28 PolarHBondContact O-N 2.77Å; I24-T28 PolarHBondContact O-OG1 3.12Å; I24-M89 HydrophobicContact CG2-CE 4.4Å |
| 25 | I | 88.8 | Confident | 82 | Confident | 22 Ų | 22 | 94.1 Ų | 94.1 | 11% | 0.113 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -59.6 | -43.7 | 178.1 | -66.7 | 162.1 | 0 | 0 | 0 | 111.2 | Q21 D22 T28 K29 M90 S93 | Q21-I25 HydrophobicContact CG-CD1 4.13Å; Q21-I25 WeakPolarHBondContact O-CD1 3.5Å; Q21-I25 WeakPolarHBondContact O-CG1 3.35Å; Q21-I25 PolarHBondContact O-N 3.06Å; D22-I25 PolarHBondContact O-N 3.27Å; I25-T28 PolarHBondContact O-N 3.41Å; I25-K29 HydrophobicContact CG2-CD 4.34Å; I25-K29 WeakPolarHBondContact O-CG 3.09Å; I25-K29 PolarHBondContact O-N 3.06Å; I25-M90 HydrophobicContact CG2-CE 3.98Å; I25-M90 HydrophobicContact CG2-SD 3.85Å; I25-S93 WeakPolarHBondContact CD1-OG 3.18Å; I25-S93 WeakPolarHBondContact CG1-OG 3.39Å |
| 26 | S | 90.9 | Very high | 84.4 | Confident | 58 Ų | 58 | 88.9 Ų | 88.9 | 41% | 0.406 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.6 | -45.7 | 179.5 | -173.1 | 0 | 0 | 0 | 0 | 111.3 | D22 E23 I24 K29 Q30 | D22-S26 VanDerWaalsContact O-CB 3.3Å; D22-S26 WeakPolarHBondContact O-CB 3.2Å; D22-S26 PolarHBondContact O-N 2.88Å; E23-S26 PolarHBondContact O-N 2.87Å; I24-S26 VanDerWaalsContact C-N 3.32Å; I24-S26 PolarHBondContact O-N 3.06Å; S26-K29 PolarHBondContact O-N 2.74Å; S26-Q30 WeakPolarHBondContact O-CG 3.16Å; S26-Q30 PolarHBondContact O-N 3.05Å; S26-Q30 VanDerWaalsContact O-N 3.1Å |
| 27 | K | 91.7 | Very high | 86.6 | Confident | 103 Ų | 103 | 83.8 Ų | 83.8 | 45% | 0.448 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.6 | -42.9 | 175.9 | -72.8 | -179.6 | 179.5 | -173.2 | 0 | 111.5 | L19 E23 I24 K29 Q30 V31 | L19-K27 HydrophobicContact CD1-CD 4.43Å; L19-K27 HydrophobicContact CD2-CD 4.22Å; E23-K27 WeakPolarHBondContact O-CB 3.3Å; E23-K27 VanDerWaalsContact O-CG 3.28Å; E23-K27 WeakPolarHBondContact O-CG 3.39Å; E23-K27 PolarHBondContact O-N 2.89Å; I24-K27 PolarHBondContact O-N 3.42Å; K27-K29 VanDerWaalsContact C-N 3.31Å; K27-K29 PolarHBondContact O-N 3.03Å; K27-Q30 WeakPolarHBondContact O-CB 3.33Å; K27-Q30 PolarHBondContact O-N 2.83Å; K27-Q30 VanDerWaalsContact O-N 3.14Å; K27-V31 WeakPolarHBondContact O-CG2 3.44Å; K27-V31 PolarHBondContact O-N 2.93Å |
| 28 | T | 92 | Very high | 88.4 | Confident | 15 Ų | 15 | 78.5 Ų | 78.5 | 9% | 0.092 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60.6 | -39.3 | 175.7 | -57.4 | 0 | 0 | 0 | 0 | 111.7 | I24 I25 V31 I32 A86 M89 M90 | I24-T28 WeakPolarHBondContact O-CB 3.3Å; I24-T28 PolarHBondContact O-N 2.77Å; I24-T28 PolarHBondContact O-OG1 3.12Å; I25-T28 PolarHBondContact O-N 3.41Å; T28-V31 PolarHBondContact O-N 3.12Å; T28-I32 HydrophobicContact CG2-CD1 4.18Å; T28-I32 VanDerWaalsContact O-CG1 3.29Å; T28-I32 WeakPolarHBondContact O-CG1 3.39Å; T28-I32 PolarHBondContact O-N 3.15Å; T28-A86 HydrophobicContact CG2-CB 4.01Å; T28-M89 HydrophobicContact CG2-CB 4.29Å; T28-M90 HydrophobicContact CG2-CG 4.03Å; T28-M90 HydrophobicContact CG2-SD 4.33Å |
| 29 | K | 92.3 | Very high | 89.8 | Confident | 105 Ų | 105 | 71.5 Ų | 71.5 | 46% | 0.457 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 173.8 | -74.9 | 173.8 | -175.8 | 171.8 | 0 | 112.8 | I25 S26 K27 V31 I32 Q33 M90 | I25-K29 HydrophobicContact CG2-CD 4.34Å; I25-K29 WeakPolarHBondContact O-CG 3.09Å; I25-K29 PolarHBondContact O-N 3.06Å; S26-K29 PolarHBondContact O-N 2.74Å; K27-K29 VanDerWaalsContact C-N 3.31Å; K27-K29 PolarHBondContact O-N 3.03Å; K29-V31 VanDerWaalsContact C-N 3.34Å; K29-I32 PolarHBondContact O-N 3.16Å; K29-Q33 WeakPolarHBondContact O-CG 3.25Å; K29-Q33 PolarHBondContact O-N 3.15Å; K29-M90 HydrophobicContact CD-CE 4.45Å; K29-M90 VanDerWaalsContact CE-CE 3.42Å; K29-M90 HydrophobicContact CG-CE 4.17Å; K29-M90 HydrophobicContact CG-SD 3.99Å |
| 30 | Q | 93.7 | Very high | 90.9 | Very high | 121 Ų | 121 | 73 Ų | 73 | 57% | 0.565 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -64.3 | -41.4 | 175.6 | -70.8 | 173.3 | -4.3 | 0 | 0 | 111.2 | S26 K27 Q33 G34 | S26-Q30 WeakPolarHBondContact O-CG 3.16Å; S26-Q30 PolarHBondContact O-N 3.05Å; S26-Q30 VanDerWaalsContact O-N 3.1Å; K27-Q30 WeakPolarHBondContact O-CB 3.33Å; K27-Q30 PolarHBondContact O-N 2.83Å; K27-Q30 VanDerWaalsContact O-N 3.14Å; Q30-Q33 PolarHBondContact O-N 3.08Å; Q30-G34 PolarHBondContact O-N 2.75Å |
| 31 | V | 94 | Very high | 91.5 | Very high | 78 Ų | 78 | 75.1 Ų | 75.1 | 47% | 0.473 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 175.1 | 171.6 | 0 | 0 | 0 | 0 | 111 | K27 T28 K29 Q33 G34 L35 | K27-V31 WeakPolarHBondContact O-CG2 3.44Å; K27-V31 PolarHBondContact O-N 2.93Å; T28-V31 PolarHBondContact O-N 3.12Å; K29-V31 VanDerWaalsContact C-N 3.34Å; V31-Q33 PolarHBondContact O-N 3.47Å; V31-G34 PolarHBondContact O-N 3.3Å; V31-L35 HydrophobicContact CG1-CD1 3.74Å; V31-L35 HydrophobicContact CG1-CG 4.16Å; V31-L35 WeakPolarHBondContact O-CB 3.5Å; V31-L35 VanDerWaalsContact O-CG 3.29Å; V31-L35 WeakPolarHBondContact O-CG 3.42Å; V31-L35 PolarHBondContact O-N 3.31Å |
| 32 | I | 93.4 | Very high | 92.3 | Very high | 28 Ų | 28 | 73.4 Ų | 73.4 | 14% | 0.144 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -58 | -47.9 | 175.9 | -69.9 | 165.6 | 0 | 0 | 0 | 110.7 | T28 K29 G34 L35 E36 L83 A86 M90 | T28-I32 HydrophobicContact CG2-CD1 4.18Å; T28-I32 VanDerWaalsContact O-CG1 3.29Å; T28-I32 WeakPolarHBondContact O-CG1 3.39Å; T28-I32 PolarHBondContact O-N 3.15Å; K29-I32 PolarHBondContact O-N 3.16Å; I32-G34 VanDerWaalsContact C-N 3.34Å; I32-G34 PolarHBondContact O-N 3.1Å; I32-L35 PolarHBondContact O-N 3.37Å; I32-E36 HydrophobicContact CG2-CG 4.35Å; I32-E36 WeakPolarHBondContact O-CB 3.45Å; I32-E36 WeakPolarHBondContact O-CG 3.39Å; I32-E36 PolarHBondContact O-N 3.27Å; I32-L83 HydrophobicContact CG2-CD2 4.09Å; I32-A86 HydrophobicContact CD1-CB 3.95Å; I32-A86 HydrophobicContact CG1-CB 3.51Å; I32-M90 HydrophobicContact CD1-CG 3.84Å |
| 33 | Q | 93.6 | Very high | 92.9 | Very high | 130 Ų | 130 | 70.2 Ų | 70.2 | 61% | 0.607 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61.7 | -41.1 | 178.9 | -71.9 | 173.8 | 4.4 | 0 | 0 | 112.4 | K29 Q30 V31 A37 | K29-Q33 WeakPolarHBondContact O-CG 3.25Å; K29-Q33 PolarHBondContact O-N 3.15Å; Q30-Q33 PolarHBondContact O-N 3.08Å; V31-Q33 PolarHBondContact O-N 3.47Å; Q33-A37 WeakPolarHBondContact O-CB 3.5Å; Q33-A37 PolarHBondContact O-N 3.24Å |
| 34 | G | 95 | Very high | 93.2 | Very high | 42 Ų | 42 | 69.9 Ų | 69.9 | 43% | 0.433 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.9 | -43.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q30 V31 I32 A37 L38 | Q30-G34 PolarHBondContact O-N 2.75Å; V31-G34 PolarHBondContact O-N 3.3Å; I32-G34 VanDerWaalsContact C-N 3.34Å; I32-G34 PolarHBondContact O-N 3.1Å; G34-A37 PolarHBondContact O-N 3.04Å; G34-L38 WeakPolarHBondContact O-CB 3.17Å; G34-L38 PolarHBondContact O-N 2.71Å |
| 35 | L | 93.9 | Very high | 93.5 | Very high | 38 Ų | 38 | 70.2 Ų | 70.2 | 20% | 0.199 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67.2 | -37.2 | 177.1 | -70.5 | 175 | 0 | 0 | 0 | 112.1 | V31 I32 K39 L79 L83 | V31-L35 HydrophobicContact CG1-CD1 3.74Å; V31-L35 HydrophobicContact CG1-CG 4.16Å; V31-L35 WeakPolarHBondContact O-CB 3.5Å; V31-L35 VanDerWaalsContact O-CG 3.29Å; V31-L35 WeakPolarHBondContact O-CG 3.42Å; V31-L35 PolarHBondContact O-N 3.31Å; I32-L35 PolarHBondContact O-N 3.37Å; L35-K39 VanDerWaalsContact O-CB 3.23Å; L35-K39 WeakPolarHBondContact O-CB 3.45Å; L35-K39 PolarHBondContact O-N 2.68Å; L35-L79 HydrophobicContact CD2-CD2 3.62Å; L35-L83 HydrophobicContact CB-CD1 4.45Å; L35-L83 HydrophobicContact CB-CD2 3.55Å; L35-L83 HydrophobicContact CB-CG 3.78Å; L35-L83 HydrophobicContact CD1-CD2 4.29Å; L35-L83 HydrophobicContact CD1-CG 4.33Å |
| 36 | E | 94.2 | Very high | 93.7 | Very high | 95 Ų | 95 | 70 Ų | 70 | 44% | 0.444 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.2 | -43 | 173.3 | -77.4 | 175.4 | 173.1 | 0 | 0 | 111.7 | I32 K39 N40 L83 | I32-E36 HydrophobicContact CG2-CG 4.35Å; I32-E36 WeakPolarHBondContact O-CB 3.45Å; I32-E36 WeakPolarHBondContact O-CG 3.39Å; I32-E36 PolarHBondContact O-N 3.27Å; E36-K39 PolarHBondContact O-N 3.39Å; E36-N40 PolarHBondContact O-N 3.07Å; E36-N40 PolarHBondContact O-ND2 3.27Å; E36-N40 VanDerWaalsContact O-ND2 3.15Å; E36-L83 HydrophobicContact CG-CD1 4.38Å; E36-L83 HydrophobicContact CG-CD2 3.85Å |
| 37 | A | 95.1 | Very high | 93.8 | Very high | 47 Ų | 47 | 72.3 Ų | 72.3 | 39% | 0.388 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.5 | -48.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q33 G34 K39 N40 E41 | Q33-A37 WeakPolarHBondContact O-CB 3.5Å; Q33-A37 PolarHBondContact O-N 3.24Å; G34-A37 PolarHBondContact O-N 3.04Å; A37-K39 VanDerWaalsContact C-N 3.33Å; A37-K39 PolarHBondContact O-N 2.94Å; A37-N40 WeakPolarHBondContact O-CB 3.49Å; A37-N40 PolarHBondContact O-N 2.9Å; A37-N40 VanDerWaalsContact O-N 3.11Å; A37-E41 PolarHBondContact O-N 2.82Å |
| 38 | L | 95.1 | Very high | 93.8 | Very high | 65 Ų | 65 | 70.5 Ų | 70.5 | 34% | 0.34 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.2 | -38 | 179.3 | -171.6 | 60.4 | 0 | 0 | 0 | 112.1 | G34 N40 E41 H42 L79 | G34-L38 WeakPolarHBondContact O-CB 3.17Å; G34-L38 PolarHBondContact O-N 2.71Å; L38-N40 VanDerWaalsContact C-N 3.32Å; L38-N40 PolarHBondContact O-N 3.25Å; L38-E41 PolarHBondContact O-N 3.04Å; L38-H42 WeakPolarHBondContact O-CB 3.21Å; L38-H42 PolarHBondContact O-N 2.68Å; L38-L79 HydrophobicContact CB-CD1 4.36Å; L38-L79 HydrophobicContact CB-CD2 4.48Å; L38-L79 HydrophobicContact CD2-CD1 4.25Å; L38-L79 HydrophobicContact CD2-CD2 3.67Å; L38-L79 HydrophobicContact CG-CD1 3.92Å; L38-L79 HydrophobicContact CG-CD2 4.18Å |
| 39 | K | 94.8 | Very high | 93.7 | Very high | 50 Ų | 50 | 71.2 Ų | 71.2 | 22% | 0.217 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 172.8 | -179.5 | -177.4 | 178.9 | 172.8 | 0 | 111.4 | L35 E36 A37 N43 L76 L79 E80 L83 | L35-K39 VanDerWaalsContact O-CB 3.23Å; L35-K39 WeakPolarHBondContact O-CB 3.45Å; L35-K39 PolarHBondContact O-N 2.68Å; E36-K39 PolarHBondContact O-N 3.39Å; A37-K39 VanDerWaalsContact C-N 3.33Å; A37-K39 PolarHBondContact O-N 2.94Å; K39-N43 WeakPolarHBondContact O-CB 3.01Å; K39-N43 PolarHBondContact O-N 3.33Å; K39-N43 PolarHBondContact O-ND2 3.07Å; K39-L76 HydrophobicContact CG-CD2 3.86Å; K39-L76 WeakPolarHBondContact O-CD2 3.38Å; K39-L79 HydrophobicContact CB-CD1 4.39Å; K39-E80 HydrophobicContact CD-CG 4.28Å; K39-E80 WeakPolarHBondContact CE-OE1 3.29Å; K39-E80 IonicContact NZ-OE1 3.9Å; K39-E80 PolarHBondContact NZ-OE1 2.87Å; K39-L83 HydrophobicContact CD-CD1 3.89Å |
| 40 | N | 94.1 | Very high | 93.4 | Very high | 107 Ų | 107 | 68.8 Ų | 68.8 | 57% | 0.572 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -67.3 | -41 | 178.8 | -68.8 | -26.7 | 0 | 0 | 0 | 111.8 | E36 A37 L38 N43 S44 | E36-N40 PolarHBondContact O-N 3.07Å; E36-N40 PolarHBondContact O-ND2 3.27Å; E36-N40 VanDerWaalsContact O-ND2 3.15Å; A37-N40 WeakPolarHBondContact O-CB 3.49Å; A37-N40 PolarHBondContact O-N 2.9Å; A37-N40 VanDerWaalsContact O-N 3.11Å; L38-N40 VanDerWaalsContact C-N 3.32Å; L38-N40 PolarHBondContact O-N 3.25Å; N40-N43 PolarHBondContact O-N 3.41Å; N40-S44 PolarHBondContact O-N 3.28Å |
| 41 | E | 95.3 | Very high | 93.1 | Very high | 117 Ų | 117 | 68.7 Ų | 68.7 | 55% | 0.547 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.5 | -48.3 | 174.5 | -70.9 | 177.9 | -175.4 | 0 | 0 | 111.6 | A37 L38 N43 S44 I45 | A37-E41 PolarHBondContact O-N 2.82Å; L38-E41 PolarHBondContact O-N 3.04Å; E41-N43 VanDerWaalsContact C-N 3.3Å; E41-N43 PolarHBondContact O-N 2.89Å; E41-S44 WeakPolarHBondContact O-CB 3.4Å; E41-S44 PolarHBondContact O-N 3.38Å; E41-S44 VanDerWaalsContact O-N 3.1Å; E41-I45 WeakPolarHBondContact O-CG1 3.42Å; E41-I45 PolarHBondContact O-N 3.04Å |
| 42 | H | 94.1 | Very high | 92.7 | Very high | 33 Ų | 33 | 67.8 Ų | 67.8 | 15% | 0.153 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.7 | -35.5 | 177.2 | -77.5 | -163.2 | 0 | 0 | 0 | 112.4 | L38 L46 I72 S75 L76 | L38-H42 WeakPolarHBondContact O-CB 3.21Å; L38-H42 PolarHBondContact O-N 2.68Å; H42-L46 VanDerWaalsContact O-CB 3.27Å; H42-L46 WeakPolarHBondContact O-CB 3.34Å; H42-L46 PolarHBondContact O-N 3.15Å; H42-I72 HydrophobicContact CB-CG2 4.11Å; H42-I72 VanDerWaalsContact O-CG2 3.25Å; H42-I72 WeakPolarHBondContact O-CG2 3.37Å; H42-S75 PolarHBondContact CE1-OG 3.5Å; H42-S75 PolarHBondContact ND1-OG 3.46Å; H42-L76 HydrophobicContact CB-CD2 3.6Å; H42-L76 HydrophobicContact CB-CG 3.91Å |
| 43 | N | 93.9 | Very high | 92.2 | Very high | 56 Ų | 56 | 68.5 Ų | 68.5 | 30% | 0.299 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 171.6 | -85.2 | -47.6 | 0 | 0 | 0 | 112.2 | K39 N40 E41 L46 Q47 L76 | K39-N43 WeakPolarHBondContact O-CB 3.01Å; K39-N43 PolarHBondContact O-N 3.33Å; K39-N43 PolarHBondContact O-ND2 3.07Å; N40-N43 PolarHBondContact O-N 3.41Å; E41-N43 VanDerWaalsContact C-N 3.3Å; E41-N43 PolarHBondContact O-N 2.89Å; N43-L46 PolarHBondContact O-N 3.4Å; N43-Q47 WeakPolarHBondContact O-CG 3.49Å; N43-Q47 PolarHBondContact O-N 2.95Å; N43-L76 WeakPolarHBondContact OD1-CD1 3.46Å |
| 44 | S | 94.8 | Very high | 91.6 | Very high | 84 Ų | 84 | 70.8 Ų | 70.8 | 59% | 0.587 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.7 | -42.9 | 176.5 | -169.1 | 0 | 0 | 0 | 0 | 111.7 | N40 E41 Q47 S48 | N40-S44 PolarHBondContact O-N 3.28Å; E41-S44 WeakPolarHBondContact O-CB 3.4Å; E41-S44 PolarHBondContact O-N 3.38Å; E41-S44 VanDerWaalsContact O-N 3.1Å; S44-Q47 PolarHBondContact O-N 2.92Å; S44-S48 PolarHBondContact O-N 3.48Å |
| 45 | I | 93.6 | Very high | 90.9 | Very high | 81 Ų | 81 | 74.3 Ų | 74.3 | 42% | 0.415 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 175.5 | -66.5 | 166.3 | 0 | 0 | 0 | 110.1 | E41 Q47 S48 L49 I72 | E41-I45 WeakPolarHBondContact O-CG1 3.42Å; E41-I45 PolarHBondContact O-N 3.04Å; I45-Q47 PolarHBondContact O-N 3.01Å; I45-S48 PolarHBondContact O-N 3.41Å; I45-L49 HydrophobicContact CG2-CD1 3.88Å; I45-L49 HydrophobicContact CG2-CG 4.29Å; I45-L49 WeakPolarHBondContact O-CB 3.27Å; I45-L49 VanDerWaalsContact O-CG 3.3Å; I45-L49 WeakPolarHBondContact O-CG 3.49Å; I45-L49 PolarHBondContact O-N 3.43Å; I45-I72 HydrophobicContact CG2-CD1 4.17Å; I45-I72 HydrophobicContact CG2-CG1 4.18Å |
| 46 | L | 92.6 | Very high | 90.2 | Very high | 17 Ų | 17 | 75.3 Ų | 75.3 | 9% | 0.089 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61 | -44.1 | 177.7 | -177.7 | 60.9 | 0 | 0 | 0 | 111.8 | H42 N43 L49 L50 S69 I72 R73 L76 | H42-L46 VanDerWaalsContact O-CB 3.27Å; H42-L46 WeakPolarHBondContact O-CB 3.34Å; H42-L46 PolarHBondContact O-N 3.15Å; N43-L46 PolarHBondContact O-N 3.4Å; L46-L49 PolarHBondContact O-N 3.17Å; L46-L50 HydrophobicContact CD1-CD1 4.37Å; L46-L50 HydrophobicContact CD1-CG 4.33Å; L46-L50 HydrophobicContact CG-CD1 4.11Å; L46-L50 HydrophobicContact CG-CG 4.5Å; L46-L50 WeakPolarHBondContact O-CB 3.48Å; L46-L50 VanDerWaalsContact O-CG 3.24Å; L46-L50 WeakPolarHBondContact O-CG 3.42Å; L46-L50 PolarHBondContact O-N 3.41Å; L46-S69 WeakPolarHBondContact CD1-OG 3.36Å; L46-I72 HydrophobicContact CB-CG2 3.86Å; L46-I72 HydrophobicContact CD1-CG2 4.48Å; L46-R73 HydrophobicContact CD1-CG 4.04Å; L46-R73 HydrophobicContact CD2-CG 3.84Å; L46-L76 HydrophobicContact CD2-CD1 3.71Å |
| 47 | Q | 92.1 | Very high | 88.5 | Confident | 107 Ų | 107 | 79.6 Ų | 79.6 | 50% | 0.5 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 176.5 | -69.4 | -58.8 | -26.4 | 0 | 0 | 111.5 | N43 S44 I45 L49 L50 E51 | N43-Q47 WeakPolarHBondContact O-CG 3.49Å; N43-Q47 PolarHBondContact O-N 2.95Å; S44-Q47 PolarHBondContact O-N 2.92Å; I45-Q47 PolarHBondContact O-N 3.01Å; Q47-L49 PolarHBondContact O-N 3.49Å; Q47-L50 PolarHBondContact O-N 3.43Å; Q47-E51 WeakPolarHBondContact O-CG 2.93Å; Q47-E51 PolarHBondContact O-N 2.96Å |
| 48 | S | 92.3 | Very high | 87.1 | Confident | 65 Ų | 65 | 87 Ų | 87 | 46% | 0.455 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.4 | -43.6 | 175.8 | -177.7 | 0 | 0 | 0 | 0 | 112.1 | S44 I45 L50 E51 T52 | S44-S48 PolarHBondContact O-N 3.48Å; I45-S48 PolarHBondContact O-N 3.41Å; S48-L50 PolarHBondContact O-N 3.19Å; S48-E51 PolarHBondContact O-N 3.21Å; S48-T52 WeakPolarHBondContact O-CG2 3.42Å; S48-T52 PolarHBondContact O-N 2.9Å; S48-T52 PolarHBondContact O-OG1 3.39Å |
| 49 | L | 88.9 | Confident | 85.6 | Confident | 29 Ų | 29 | 89.6 Ų | 89.6 | 15% | 0.152 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 176 | -71.9 | 171.5 | 0 | 0 | 0 | 111.7 | I45 L46 Q47 E51 T52 L53 V65 K68 I72 | I45-L49 HydrophobicContact CG2-CD1 3.88Å; I45-L49 HydrophobicContact CG2-CG 4.29Å; I45-L49 WeakPolarHBondContact O-CB 3.27Å; I45-L49 VanDerWaalsContact O-CG 3.3Å; I45-L49 WeakPolarHBondContact O-CG 3.49Å; I45-L49 PolarHBondContact O-N 3.43Å; L46-L49 PolarHBondContact O-N 3.17Å; Q47-L49 PolarHBondContact O-N 3.49Å; L49-E51 VanDerWaalsContact C-N 3.33Å; L49-E51 PolarHBondContact O-N 3.18Å; L49-T52 WeakPolarHBondContact CA-OG1 3.41Å; L49-T52 PolarHBondContact O-N 3.39Å; L49-T52 PolarHBondContact O-OG1 3.44Å; L49-L53 WeakPolarHBondContact O-CB 3.49Å; L49-L53 PolarHBondContact O-N 3.5Å; L49-V65 HydrophobicContact CB-CG1 4.43Å; L49-V65 HydrophobicContact CD2-CG1 4.22Å; L49-K68 HydrophobicContact CD1-CB 4.17Å; L49-K68 HydrophobicContact CD2-CB 4.48Å; L49-I72 HydrophobicContact CD1-CG1 4.08Å |
| 50 | L | 86.9 | Confident | 84.1 | Confident | 55 Ų | 55 | 93.8 Ų | 93.8 | 29% | 0.288 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.4 | -35.7 | 177.2 | -70.7 | 172.4 | 0 | 0 | 0 | 112.6 | L46 Q47 S48 L53 K54 | L46-L50 HydrophobicContact CD1-CD1 4.37Å; L46-L50 HydrophobicContact CD1-CG 4.33Å; L46-L50 HydrophobicContact CG-CD1 4.11Å; L46-L50 HydrophobicContact CG-CG 4.5Å; L46-L50 WeakPolarHBondContact O-CB 3.48Å; L46-L50 VanDerWaalsContact O-CG 3.24Å; L46-L50 WeakPolarHBondContact O-CG 3.42Å; L46-L50 PolarHBondContact O-N 3.41Å; Q47-L50 PolarHBondContact O-N 3.43Å; S48-L50 PolarHBondContact O-N 3.19Å; L50-L53 PolarHBondContact O-N 3.49Å; L50-K54 WeakPolarHBondContact O-CG 3.43Å; L50-K54 PolarHBondContact O-N 3.03Å |
| 51 | E | 87.1 | Confident | 83.1 | Confident | 118 Ų | 118 | 95 Ų | 95 | 55% | 0.551 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.5 | -44.3 | 172.6 | -74.6 | 174.5 | -178.8 | 0 | 0 | 111.6 | Q47 S48 L49 L53 K54 C55 | Q47-E51 WeakPolarHBondContact O-CG 2.93Å; Q47-E51 PolarHBondContact O-N 2.96Å; S48-E51 PolarHBondContact O-N 3.21Å; L49-E51 VanDerWaalsContact C-N 3.33Å; L49-E51 PolarHBondContact O-N 3.18Å; E51-L53 VanDerWaalsContact C-N 3.31Å; E51-L53 PolarHBondContact O-N 2.9Å; E51-K54 WeakPolarHBondContact O-CB 3.47Å; E51-K54 PolarHBondContact O-N 3.38Å; E51-C55 PolarHBondContact O-N 3.25Å; E51-C55 PolarHBondContact O-SG 2.98Å |
| 52 | T | 85.5 | Confident | 82.2 | Confident | 60 Ų | 60 | 90.2 Ų | 90.2 | 37% | 0.368 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.5 | -38.7 | 175.5 | 58.1 | 0 | 0 | 0 | 0 | 112.2 | S48 L49 K54 C55 L56 | S48-T52 WeakPolarHBondContact O-CG2 3.42Å; S48-T52 PolarHBondContact O-N 2.9Å; S48-T52 PolarHBondContact O-OG1 3.39Å; L49-T52 WeakPolarHBondContact CA-OG1 3.41Å; L49-T52 PolarHBondContact O-N 3.39Å; L49-T52 PolarHBondContact O-OG1 3.44Å; T52-K54 VanDerWaalsContact C-N 3.3Å; T52-K54 PolarHBondContact O-N 3.08Å; T52-C55 PolarHBondContact O-N 3.32Å; T52-C55 VanDerWaalsContact O-N 3.1Å; T52-L56 WeakPolarHBondContact O-CG 3.26Å; T52-L56 PolarHBondContact O-N 3.01Å |
| 53 | L | 82.4 | Confident | 81.6 | Confident | 42 Ų | 42 | 93 Ų | 93 | 22% | 0.22 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -63.9 | -34.3 | 177.8 | -142.6 | 163.8 | 0 | 0 | 0 | 111.7 | L49 L50 E51 C55 V65 E66 | L49-L53 WeakPolarHBondContact O-CB 3.49Å; L49-L53 PolarHBondContact O-N 3.5Å; L50-L53 PolarHBondContact O-N 3.49Å; E51-L53 VanDerWaalsContact C-N 3.31Å; E51-L53 PolarHBondContact O-N 2.9Å; L53-C55 VanDerWaalsContact C-N 3.3Å; L53-C55 PolarHBondContact O-N 2.93Å; L53-V65 HydrophobicContact CB-CG1 4.01Å; L53-V65 HydrophobicContact CD1-CG1 4.05Å; L53-V65 HydrophobicContact CG-CB 4.5Å; L53-V65 HydrophobicContact CG-CG1 4.02Å; L53-E66 HydrophobicContact CD1-CB 4.04Å; L53-E66 HydrophobicContact CD1-CG 4.43Å |
| 54 | K | 81.9 | Confident | 81.2 | Confident | 178 Ų | 178 | 94.5 Ų | 94.5 | 77% | 0.774 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67.8 | -28 | 174.4 | -74.8 | 173.8 | -177.7 | 172.7 | 0 | 113.5 | L50 E51 T52 | L50-K54 WeakPolarHBondContact O-CG 3.43Å; L50-K54 PolarHBondContact O-N 3.03Å; E51-K54 WeakPolarHBondContact O-CB 3.47Å; E51-K54 PolarHBondContact O-N 3.38Å; T52-K54 VanDerWaalsContact C-N 3.3Å; T52-K54 PolarHBondContact O-N 3.08Å |
| 55 | C | 80.6 | Confident | 80.7 | Confident | 116 Ų | 116 | 91.5 Ų | 91.5 | 78% | 0.784 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -89 | -16 | -177.2 | -66.9 | 0 | 0 | 0 | 0 | 113.4 | E51 T52 L53 | E51-C55 PolarHBondContact O-N 3.25Å; E51-C55 PolarHBondContact O-SG 2.98Å; T52-C55 PolarHBondContact O-N 3.32Å; T52-C55 VanDerWaalsContact O-N 3.1Å; L53-C55 VanDerWaalsContact C-N 3.3Å; L53-C55 PolarHBondContact O-N 2.93Å |
| 56 | L | 77.9 | Confident | 80.3 | Confident | 59 Ų | 59 | 91.9 Ų | 91.9 | 31% | 0.309 | 47% | 0.465 | S | S | . | . | trans | -84.3 | 137.6 | -179 | -72.7 | 162.2 | 0 | 0 | 0 | 111.4 | T52 E61 V65 | T52-L56 WeakPolarHBondContact O-CG 3.26Å; T52-L56 PolarHBondContact O-N 3.01Å; L56-E61 HydrophobicContact CD2-CB 4.39Å; L56-V65 HydrophobicContact CD1-CG2 3.95Å | ||
| 57 | K | 59.3 | Low | 80 | Confident | 185 Ų | 185 | 97.2 Ų | 97.2 | 80% | 0.804 | 49% | 0.49 | S | S | * | . | trans | -84.5 | 147.8 | 166.5 | -69.4 | -178.4 | -179.6 | 176.7 | 0 | 108.4 | D59 | K57-D59 PolarHBondContact O-N 3.28Š| ||
| 58 | K | 65.3 | Low | 79.9 | Confident | 202 Ų | 202 | 97.3 Ų | 97.3 | 88% | 0.878 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -55.8 | 94.4 | -173.4 | -78 | -176 | 173.9 | -177.7 | 0 | 112.2 | ||
| 59 | D | 64.7 | Low | 79.8 | Confident | 120 Ų | 120 | 94.2 Ų | 94.2 | 64% | 0.642 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -144.6 | 173.5 | 171.1 | -75.5 | -39.2 | 0 | 0 | 0 | 108.7 | K57 E61 S62 | K57-D59 PolarHBondContact O-N 3.28Å; D59-E61 PolarHBondContact O-N 3.28Å; D59-S62 VanDerWaalsContact O-CB 3.28Å; D59-S62 WeakPolarHBondContact O-CB 3.43Å; D59-S62 PolarHBondContact O-N 3.4Å |
| 60 | D | 63.5 | Low | 79.9 | Confident | 138 Ų | 138 | 95.8 Ų | 95.8 | 74% | 0.738 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -53.1 | -25.8 | -175.1 | -72.4 | -35.7 | 0 | 0 | 0 | 114.9 | S62 N63 L64 | D60-S62 VanDerWaalsContact C-N 3.31Å; D60-S62 PolarHBondContact O-N 3.43Å; D60-N63 PolarHBondContact O-N 3.38Å; D60-L64 PolarHBondContact O-N 2.97Å |
| 61 | E | 71.6 | Confident | 80.2 | Confident | 134 Ų | 134 | 99.6 Ų | 99.6 | 63% | 0.626 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.5 | -31.7 | 173.8 | -64.9 | -167.2 | 159.2 | 0 | 0 | 112.9 | L56 D59 L64 V65 | L56-E61 HydrophobicContact CD2-CB 4.39Å; D59-E61 PolarHBondContact O-N 3.28Å; E61-L64 PolarHBondContact O-N 3.47Å; E61-V65 VanDerWaalsContact O-CG2 3.29Å; E61-V65 WeakPolarHBondContact O-CG2 3.25Å; E61-V65 PolarHBondContact O-N 2.88Å; E61-V65 VanDerWaalsContact O-N 3.12Å |
| 62 | S | 77.3 | Confident | 80.5 | Confident | 15 Ų | 15 | 95.4 Ų | 95.4 | 11% | 0.105 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -67.1 | -39.2 | 175.2 | -173.4 | 0 | 0 | 0 | 0 | 111.5 | D59 D60 V65 E66 | D59-S62 VanDerWaalsContact O-CB 3.28Å; D59-S62 WeakPolarHBondContact O-CB 3.43Å; D59-S62 PolarHBondContact O-N 3.4Å; D60-S62 VanDerWaalsContact C-N 3.31Å; D60-S62 PolarHBondContact O-N 3.43Å; S62-V65 PolarHBondContact O-N 3.07Å; S62-E66 WeakPolarHBondContact O-CB 3.38Å; S62-E66 PolarHBondContact O-N 3.1Å |
| 63 | N | 81.4 | Confident | 80.8 | Confident | 91 Ų | 91 | 97.2 Ų | 97.2 | 49% | 0.487 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.5 | -42.2 | 178.5 | -67.4 | -30 | 0 | 0 | 0 | 110.8 | D60 E66 E67 | D60-N63 PolarHBondContact O-N 3.38Å; N63-E66 PolarHBondContact O-N 3.37Å; N63-E67 WeakPolarHBondContact O-CG 3.36Å; N63-E67 PolarHBondContact O-N 3.21Å |
| 64 | L | 84.7 | Confident | 81.4 | Confident | 88 Ų | 88 | 102 Ų | 102 | 46% | 0.461 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 177.7 | -177 | 64.3 | 0 | 0 | 0 | 112.6 | D60 E61 E66 E67 K68 | D60-L64 PolarHBondContact O-N 2.97Å; E61-L64 PolarHBondContact O-N 3.47Å; L64-E66 VanDerWaalsContact C-N 3.32Å; L64-E67 PolarHBondContact O-N 3.18Å; L64-K68 WeakPolarHBondContact O-CG 3.4Å; L64-K68 PolarHBondContact O-N 3.45Å; L64-K68 VanDerWaalsContact O-N 3.07Å |
| 65 | V | 84.8 | Confident | 82 | Confident | 21 Ų | 21 | 95.5 Ų | 95.5 | 13% | 0.127 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -67.6 | -35.6 | 176.2 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | L49 L53 L56 E61 S62 K68 S69 | L49-V65 HydrophobicContact CB-CG1 4.43Å; L49-V65 HydrophobicContact CD2-CG1 4.22Å; L53-V65 HydrophobicContact CB-CG1 4.01Å; L53-V65 HydrophobicContact CD1-CG1 4.05Å; L53-V65 HydrophobicContact CG-CB 4.5Å; L53-V65 HydrophobicContact CG-CG1 4.02Å; L56-V65 HydrophobicContact CD1-CG2 3.95Å; E61-V65 VanDerWaalsContact O-CG2 3.29Å; E61-V65 WeakPolarHBondContact O-CG2 3.25Å; E61-V65 PolarHBondContact O-N 2.88Å; E61-V65 VanDerWaalsContact O-N 3.12Å; S62-V65 PolarHBondContact O-N 3.07Å; V65-K68 PolarHBondContact O-N 3.08Å; V65-S69 WeakPolarHBondContact O-CB 3.49Å; V65-S69 PolarHBondContact O-N 3.5Å |
| 66 | E | 84.6 | Confident | 82.6 | Confident | 89 Ų | 89 | 90.6 Ų | 90.6 | 42% | 0.416 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.1 | -42.3 | 175.4 | -166.9 | 158.1 | -156.2 | 0 | 0 | 112.4 | L53 S62 N63 L64 S69 N70 | L53-E66 HydrophobicContact CD1-CB 4.04Å; L53-E66 HydrophobicContact CD1-CG 4.43Å; S62-E66 WeakPolarHBondContact O-CB 3.38Å; S62-E66 PolarHBondContact O-N 3.1Å; N63-E66 PolarHBondContact O-N 3.37Å; L64-E66 VanDerWaalsContact C-N 3.32Å; E66-S69 WeakPolarHBondContact O-CB 3.36Å; E66-S69 PolarHBondContact O-N 3.38Å; E66-N70 WeakPolarHBondContact O-CB 3.27Å; E66-N70 PolarHBondContact O-N 3.22Å; E66-N70 PolarHBondContact O-ND2 2.94Å |
| 67 | E | 87.7 | Confident | 83.4 | Confident | 129 Ų | 129 | 93.5 Ų | 93.5 | 60% | 0.603 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -61.1 | -44 | 172.8 | -74.8 | -174.1 | 169.9 | 0 | 0 | 112.4 | N63 L64 N70 M71 | N63-E67 WeakPolarHBondContact O-CG 3.36Å; N63-E67 PolarHBondContact O-N 3.21Å; L64-E67 PolarHBondContact O-N 3.18Å; E67-N70 PolarHBondContact O-N 2.83Å; E67-M71 PolarHBondContact O-N 3.15Å |
| 68 | K | 89.8 | Confident | 85.1 | Confident | 110 Ų | 110 | 91 Ų | 91 | 48% | 0.478 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 174.7 | -72.6 | 176.2 | -179.2 | 178.2 | 0 | 111.8 | L49 L64 V65 N70 M71 I72 | L49-K68 HydrophobicContact CD1-CB 4.17Å; L49-K68 HydrophobicContact CD2-CB 4.48Å; L64-K68 WeakPolarHBondContact O-CG 3.4Å; L64-K68 PolarHBondContact O-N 3.45Å; L64-K68 VanDerWaalsContact O-N 3.07Å; V65-K68 PolarHBondContact O-N 3.08Å; K68-N70 VanDerWaalsContact C-N 3.32Å; K68-N70 PolarHBondContact O-N 3.23Å; K68-M71 WeakPolarHBondContact O-CB 3.44Å; K68-M71 PolarHBondContact O-N 2.9Å; K68-I72 WeakPolarHBondContact O-CG1 3.4Å; K68-I72 PolarHBondContact O-N 3.43Å |
| 69 | S | 89.7 | Confident | 86.5 | Confident | 0 Ų | 0 | 82.2 Ų | 82.2 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60 | -42.7 | 174.6 | -177.5 | 0 | 0 | 0 | 0 | 111.6 | L46 V65 E66 I72 R73 | L46-S69 WeakPolarHBondContact CD1-OG 3.36Å; V65-S69 WeakPolarHBondContact O-CB 3.49Å; V65-S69 PolarHBondContact O-N 3.5Å; E66-S69 WeakPolarHBondContact O-CB 3.36Å; E66-S69 PolarHBondContact O-N 3.38Å; S69-I72 PolarHBondContact O-N 3.49Å; S69-R73 WeakPolarHBondContact O-CG 3.31Å; S69-R73 PolarHBondContact O-N 2.95Å; S69-R73 PolarHBondContact OG-NH2 3.42Å |
| 70 | N | 91.6 | Very high | 87.8 | Confident | 62 Ų | 62 | 81 Ų | 81 | 33% | 0.332 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.8 | -37.3 | 176.9 | -70.2 | -29.7 | 0 | 0 | 0 | 112.2 | E66 E67 K68 R73 K74 | E66-N70 WeakPolarHBondContact O-CB 3.27Å; E66-N70 PolarHBondContact O-N 3.22Å; E66-N70 PolarHBondContact O-ND2 2.94Å; E67-N70 PolarHBondContact O-N 2.83Å; K68-N70 VanDerWaalsContact C-N 3.32Å; K68-N70 PolarHBondContact O-N 3.23Å; N70-R73 PolarHBondContact O-N 2.91Å; N70-R73 PolarHBondContact OD1-NH1 3.33Å; N70-R73 PolarHBondContact OD1-NH2 2.93Å; N70-K74 WeakPolarHBondContact O-CG 3.42Å; N70-K74 PolarHBondContact O-N 2.91Å |
| 71 | M | 92.9 | Very high | 89.3 | Confident | 135 Ų | 135 | 79 Ų | 79 | 67% | 0.665 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -62.7 | -45.7 | 174.3 | -163.5 | 93.1 | 73.3 | 0 | 0 | 111.7 | E67 K68 K74 S75 | E67-M71 PolarHBondContact O-N 3.15Å; K68-M71 WeakPolarHBondContact O-CB 3.44Å; K68-M71 PolarHBondContact O-N 2.9Å; M71-K74 PolarHBondContact O-N 2.84Å; M71-S75 PolarHBondContact O-N 3.45Å |
| 72 | I | 93.1 | Very high | 90.3 | Very high | 29 Ų | 29 | 73.6 Ų | 73.6 | 15% | 0.149 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.4 | -38.5 | 178.6 | -63 | -64.7 | 0 | 0 | 0 | 111.1 | H42 I45 L46 L49 K68 S69 S75 L76 | H42-I72 HydrophobicContact CB-CG2 4.11Å; H42-I72 VanDerWaalsContact O-CG2 3.25Å; H42-I72 WeakPolarHBondContact O-CG2 3.37Å; I45-I72 HydrophobicContact CG2-CD1 4.17Å; I45-I72 HydrophobicContact CG2-CG1 4.18Å; L46-I72 HydrophobicContact CB-CG2 3.86Å; L46-I72 HydrophobicContact CD1-CG2 4.48Å; L49-I72 HydrophobicContact CD1-CG1 4.08Å; K68-I72 WeakPolarHBondContact O-CG1 3.4Å; K68-I72 PolarHBondContact O-N 3.43Å; S69-I72 PolarHBondContact O-N 3.49Å; I72-S75 PolarHBondContact O-N 3.01Å; I72-L76 HydrophobicContact CG2-CD1 4.28Å; I72-L76 WeakPolarHBondContact O-CG 3.35Å; I72-L76 PolarHBondContact O-N 2.86Å |
| 73 | R | 92.5 | Very high | 91.1 | Very high | 98 Ų | 98 | 73.9 Ų | 73.9 | 37% | 0.37 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.8 | -46.9 | 173.2 | -80 | -175.4 | -116.2 | 142.2 | 2.5 | 112.4 | L46 S69 N70 S75 L76 E77 | L46-R73 HydrophobicContact CD1-CG 4.04Å; L46-R73 HydrophobicContact CD2-CG 3.84Å; S69-R73 WeakPolarHBondContact O-CG 3.31Å; S69-R73 PolarHBondContact O-N 2.95Å; S69-R73 PolarHBondContact OG-NH2 3.42Å; N70-R73 PolarHBondContact O-N 2.91Å; N70-R73 PolarHBondContact OD1-NH1 3.33Å; N70-R73 PolarHBondContact OD1-NH2 2.93Å; R73-S75 VanDerWaalsContact C-N 3.27Å; R73-S75 PolarHBondContact O-N 3.2Å; R73-L76 WeakPolarHBondContact O-CB 3.44Å; R73-L76 PolarHBondContact O-N 3.35Å; R73-L76 VanDerWaalsContact O-N 3.17Å; R73-E77 PolarHBondContact O-N 3.34Å |
| 74 | K | 94.1 | Very high | 91.6 | Very high | 144 Ų | 144 | 72.2 Ų | 72.2 | 63% | 0.626 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -60 | -38.8 | 174.6 | -72.4 | 177.4 | -179.7 | 178.9 | 0 | 112 | N70 M71 E77 M78 | N70-K74 WeakPolarHBondContact O-CG 3.42Å; N70-K74 PolarHBondContact O-N 2.91Å; M71-K74 PolarHBondContact O-N 2.84Å; K74-E77 PolarHBondContact O-N 3.11Å; K74-M78 WeakPolarHBondContact O-CG 3.32Å; K74-M78 PolarHBondContact O-N 3.15Å |
| 75 | S | 94.3 | Very high | 92.1 | Very high | 40 Ų | 40 | 74.3 Ų | 74.3 | 28% | 0.28 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.7 | -39.3 | 176.3 | -175.3 | 0 | 0 | 0 | 0 | 112.4 | H42 M71 I72 R73 M78 L79 | H42-S75 PolarHBondContact CE1-OG 3.5Å; H42-S75 PolarHBondContact ND1-OG 3.46Å; M71-S75 PolarHBondContact O-N 3.45Å; I72-S75 PolarHBondContact O-N 3.01Å; R73-S75 VanDerWaalsContact C-N 3.27Å; R73-S75 PolarHBondContact O-N 3.2Å; S75-M78 PolarHBondContact O-N 2.95Å; S75-L79 VanDerWaalsContact O-CG 3.31Å; S75-L79 WeakPolarHBondContact O-CG 3.37Å; S75-L79 PolarHBondContact O-N 3.17Å |
| 76 | L | 93.9 | Very high | 92.4 | Very high | 13 Ų | 13 | 73.7 Ų | 73.7 | 7% | 0.068 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 174.3 | -76.9 | 166.8 | 0 | 0 | 0 | 112.2 | K39 H42 N43 L46 I72 R73 M78 L79 E80 | K39-L76 HydrophobicContact CG-CD2 3.86Å; K39-L76 WeakPolarHBondContact O-CD2 3.38Å; H42-L76 HydrophobicContact CB-CD2 3.6Å; H42-L76 HydrophobicContact CB-CG 3.91Å; N43-L76 WeakPolarHBondContact OD1-CD1 3.46Å; L46-L76 HydrophobicContact CD2-CD1 3.71Å; I72-L76 HydrophobicContact CG2-CD1 4.28Å; I72-L76 WeakPolarHBondContact O-CG 3.35Å; I72-L76 PolarHBondContact O-N 2.86Å; R73-L76 WeakPolarHBondContact O-CB 3.44Å; R73-L76 PolarHBondContact O-N 3.35Å; R73-L76 VanDerWaalsContact O-N 3.17Å; L76-M78 VanDerWaalsContact C-N 3.32Å; L76-M78 PolarHBondContact O-N 3.07Å; L76-L79 PolarHBondContact O-N 3.49Å; L76-E80 WeakPolarHBondContact O-CG 3.41Å; L76-E80 PolarHBondContact O-N 2.9Å |
| 77 | E | 94.9 | Very high | 92.7 | Very high | 121 Ų | 121 | 76 Ų | 76 | 57% | 0.565 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -58.5 | -43.6 | 175.2 | -71.8 | 172.5 | -174.5 | 0 | 0 | 111.6 | R73 K74 L79 E80 L81 | R73-E77 PolarHBondContact O-N 3.34Å; K74-E77 PolarHBondContact O-N 3.11Å; E77-L79 PolarHBondContact O-N 3.46Å; E77-E80 PolarHBondContact O-N 3.04Å; E77-L81 WeakPolarHBondContact O-CG 3.23Å; E77-L81 PolarHBondContact O-N 3.23Å |
| 78 | M | 94.4 | Very high | 93 | Very high | 133 Ų | 133 | 74.5 Ų | 74.5 | 66% | 0.655 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -64.7 | -38.1 | 176.4 | -67.2 | -62 | -62.2 | 0 | 0 | 112.7 | K74 S75 L76 L81 G82 | K74-M78 WeakPolarHBondContact O-CG 3.32Å; K74-M78 PolarHBondContact O-N 3.15Å; S75-M78 PolarHBondContact O-N 2.95Å; L76-M78 VanDerWaalsContact C-N 3.32Å; L76-M78 PolarHBondContact O-N 3.07Å; M78-L81 HydrophobicContact SD-CD1 4.43Å; M78-G82 PolarHBondContact O-N 3.42Å |
| 79 | L | 94.3 | Very high | 93 | Very high | 16 Ų | 16 | 74 Ų | 74 | 8% | 0.084 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -68.2 | -37.7 | 176.2 | -67.7 | 171.1 | 0 | 0 | 0 | 112 | L35 L38 K39 S75 L76 E77 G82 L83 | L35-L79 HydrophobicContact CD2-CD2 3.62Å; L38-L79 HydrophobicContact CB-CD1 4.36Å; L38-L79 HydrophobicContact CB-CD2 4.48Å; L38-L79 HydrophobicContact CD2-CD1 4.25Å; L38-L79 HydrophobicContact CD2-CD2 3.67Å; L38-L79 HydrophobicContact CG-CD1 3.92Å; L38-L79 HydrophobicContact CG-CD2 4.18Å; K39-L79 HydrophobicContact CB-CD1 4.39Å; S75-L79 VanDerWaalsContact O-CG 3.31Å; S75-L79 WeakPolarHBondContact O-CG 3.37Å; S75-L79 PolarHBondContact O-N 3.17Å; L76-L79 PolarHBondContact O-N 3.49Å; E77-L79 PolarHBondContact O-N 3.46Å; L79-G82 PolarHBondContact O-N 3.34Å; L79-L83 WeakPolarHBondContact O-CB 3.39Å; L79-L83 WeakPolarHBondContact O-CG 3.24Å; L79-L83 PolarHBondContact O-N 3.06Å |
| 80 | E | 93.1 | Very high | 93.1 | Very high | 95 Ų | 95 | 75.5 Ų | 75.5 | 44% | 0.444 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.5 | -40.1 | 175.9 | -73.6 | -174.1 | 160.7 | 0 | 0 | 112.3 | K39 L76 E77 L83 S84 | K39-E80 HydrophobicContact CD-CG 4.28Å; K39-E80 WeakPolarHBondContact CE-OE1 3.29Å; K39-E80 IonicContact NZ-OE1 3.9Å; K39-E80 PolarHBondContact NZ-OE1 2.87Å; L76-E80 WeakPolarHBondContact O-CG 3.41Å; L76-E80 PolarHBondContact O-N 2.9Å; E77-E80 PolarHBondContact O-N 3.04Å; E80-L83 PolarHBondContact O-N 3.39Å; E80-S84 WeakPolarHBondContact O-CB 3.29Å; E80-S84 PolarHBondContact O-N 3.4Å |
| 81 | L | 94.6 | Very high | 93.1 | Very high | 96 Ų | 96 | 74.6 Ų | 74.6 | 50% | 0.503 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.2 | -50.9 | 172.3 | -71.8 | 169.8 | 0 | 0 | 0 | 111 | E77 M78 L83 S84 E85 | E77-L81 WeakPolarHBondContact O-CG 3.23Å; E77-L81 PolarHBondContact O-N 3.23Å; M78-L81 HydrophobicContact SD-CD1 4.43Å; L81-L83 VanDerWaalsContact C-N 3.32Å; L81-L83 PolarHBondContact O-N 2.87Å; L81-S84 PolarHBondContact O-N 3.48Å; L81-S84 VanDerWaalsContact O-N 3.09Å; L81-S84 PolarHBondContact O-OG 2.97Å; L81-E85 WeakPolarHBondContact O-CG 3.36Å; L81-E85 PolarHBondContact O-N 3.02Å |
| 82 | G | 93 | Very high | 93.1 | Very high | 21 Ų | 21 | 74 Ų | 74 | 22% | 0.216 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.9 | -37.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | M78 L79 A86 | M78-G82 PolarHBondContact O-N 3.42Å; L79-G82 PolarHBondContact O-N 3.34Å; G82-A86 WeakPolarHBondContact O-CB 3.36Å; G82-A86 PolarHBondContact O-N 2.69Å; G82-A86 VanDerWaalsContact O-N 3.09Å |
| 83 | L | 92.9 | Very high | 92.9 | Very high | 20 Ų | 20 | 73.2 Ų | 73.2 | 11% | 0.105 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.2 | -44.3 | 173.1 | -79.2 | 168.5 | 0 | 0 | 0 | 111.7 | I32 L35 E36 K39 L79 E80 L81 E85 A86 Q87 | I32-L83 HydrophobicContact CG2-CD2 4.09Å; L35-L83 HydrophobicContact CB-CD1 4.45Å; L35-L83 HydrophobicContact CB-CD2 3.55Å; L35-L83 HydrophobicContact CB-CG 3.78Å; L35-L83 HydrophobicContact CD1-CD2 4.29Å; L35-L83 HydrophobicContact CD1-CG 4.33Å; E36-L83 HydrophobicContact CG-CD1 4.38Å; E36-L83 HydrophobicContact CG-CD2 3.85Å; K39-L83 HydrophobicContact CD-CD1 3.89Å; L79-L83 WeakPolarHBondContact O-CB 3.39Å; L79-L83 WeakPolarHBondContact O-CG 3.24Å; L79-L83 PolarHBondContact O-N 3.06Å; E80-L83 PolarHBondContact O-N 3.39Å; L81-L83 VanDerWaalsContact C-N 3.32Å; L81-L83 PolarHBondContact O-N 2.87Å; L83-E85 VanDerWaalsContact C-N 3.35Å; L83-E85 PolarHBondContact O-N 3.26Å; L83-A86 PolarHBondContact O-N 2.92Å; L83-Q87 WeakPolarHBondContact O-CB 3.32Å; L83-Q87 PolarHBondContact O-N 2.73Å |
| 84 | S | 93.2 | Very high | 92.7 | Very high | 56 Ų | 56 | 73.3 Ų | 73.3 | 39% | 0.392 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 179.2 | 76.1 | 0 | 0 | 0 | 0 | 112 | E80 L81 Q87 V88 | E80-S84 WeakPolarHBondContact O-CB 3.29Å; E80-S84 PolarHBondContact O-N 3.4Å; L81-S84 PolarHBondContact O-N 3.48Å; L81-S84 VanDerWaalsContact O-N 3.09Å; L81-S84 PolarHBondContact O-OG 2.97Å; S84-Q87 PolarHBondContact O-N 2.76Å; S84-V88 WeakPolarHBondContact O-CG2 3.44Å; S84-V88 PolarHBondContact O-N 2.9Å |
| 85 | E | 93.8 | Very high | 92.7 | Very high | 133 Ų | 133 | 72.8 Ų | 72.8 | 62% | 0.621 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63.6 | -47.1 | 176.4 | -70.9 | 179.7 | 173.7 | 0 | 0 | 111.8 | L81 L83 Q87 V88 M89 | L81-E85 WeakPolarHBondContact O-CG 3.36Å; L81-E85 PolarHBondContact O-N 3.02Å; L83-E85 VanDerWaalsContact C-N 3.35Å; L83-E85 PolarHBondContact O-N 3.26Å; E85-Q87 VanDerWaalsContact C-N 3.26Å; E85-Q87 PolarHBondContact O-N 3.32Å; E85-V88 WeakPolarHBondContact O-CB 3.39Å; E85-V88 PolarHBondContact O-N 3.44Å; E85-M89 WeakPolarHBondContact O-CG 3.46Å; E85-M89 PolarHBondContact O-N 2.97Å |
| 86 | A | 91.3 | Very high | 92.5 | Very high | 8 Ų | 8 | 74.7 Ų | 74.7 | 7% | 0.066 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.1 | -34 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T28 I32 G82 L83 M89 M90 | T28-A86 HydrophobicContact CG2-CB 4.01Å; I32-A86 HydrophobicContact CD1-CB 3.95Å; I32-A86 HydrophobicContact CG1-CB 3.51Å; G82-A86 WeakPolarHBondContact O-CB 3.36Å; G82-A86 PolarHBondContact O-N 2.69Å; G82-A86 VanDerWaalsContact O-N 3.09Å; L83-A86 PolarHBondContact O-N 2.92Å; A86-M89 WeakPolarHBondContact O-CB 3.27Å; A86-M89 PolarHBondContact O-N 2.65Å; A86-M90 WeakPolarHBondContact O-CG 3.36Å; A86-M90 PolarHBondContact O-N 3.49Å; A86-M90 VanDerWaalsContact O-N 3.09Å |
| 87 | Q | 92.2 | Very high | 92.2 | Very high | 136 Ų | 136 | 77 Ų | 77 | 64% | 0.636 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -71.1 | -35.7 | 176.8 | -157.9 | 154 | 24.9 | 0 | 0 | 112.2 | L83 S84 E85 M90 A91 | L83-Q87 WeakPolarHBondContact O-CB 3.32Å; L83-Q87 PolarHBondContact O-N 2.73Å; S84-Q87 PolarHBondContact O-N 2.76Å; E85-Q87 VanDerWaalsContact C-N 3.26Å; E85-Q87 PolarHBondContact O-N 3.32Å; Q87-M90 PolarHBondContact O-N 3.48Å; Q87-A91 PolarHBondContact O-N 3.47Å |
| 88 | V | 93 | Very high | 92 | Very high | 99 Ų | 99 | 73.3 Ų | 73.3 | 60% | 0.6 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -63.5 | -43 | 170.4 | 171.4 | 0 | 0 | 0 | 0 | 111 | S84 E85 M90 A91 L92 | S84-V88 WeakPolarHBondContact O-CG2 3.44Å; S84-V88 PolarHBondContact O-N 2.9Å; E85-V88 WeakPolarHBondContact O-CB 3.39Å; E85-V88 PolarHBondContact O-N 3.44Å; V88-M90 VanDerWaalsContact C-N 3.3Å; V88-M90 PolarHBondContact O-N 3.38Å; V88-A91 PolarHBondContact O-N 3.45Å; V88-L92 WeakPolarHBondContact O-CB 3.47Å; V88-L92 PolarHBondContact O-N 3.48Å |
| 89 | M | 91.1 | Very high | 91.9 | Very high | 99 Ų | 99 | 71.3 Ų | 71.3 | 49% | 0.488 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58.8 | -42.2 | 175.4 | -68.9 | 178.3 | 67.8 | 0 | 0 | 112.1 | I24 T28 E85 A86 S93 | I24-M89 HydrophobicContact CG2-CE 4.4Å; T28-M89 HydrophobicContact CG2-CB 4.29Å; E85-M89 WeakPolarHBondContact O-CG 3.46Å; E85-M89 PolarHBondContact O-N 2.97Å; A86-M89 WeakPolarHBondContact O-CB 3.27Å; A86-M89 PolarHBondContact O-N 2.65Å; M89-S93 PolarHBondContact O-N 2.84Å |
| 90 | M | 91.4 | Very high | 91.7 | Very high | 31 Ų | 31 | 74.3 Ų | 74.3 | 15% | 0.153 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.1 | -42.7 | 175.4 | -76.9 | -61.8 | -54.5 | 0 | 0 | 112.6 | I25 T28 K29 I32 A86 Q87 V88 S93 N94 | I25-M90 HydrophobicContact CG2-CE 3.98Å; I25-M90 HydrophobicContact CG2-SD 3.85Å; T28-M90 HydrophobicContact CG2-CG 4.03Å; T28-M90 HydrophobicContact CG2-SD 4.33Å; K29-M90 HydrophobicContact CD-CE 4.45Å; K29-M90 VanDerWaalsContact CE-CE 3.42Å; K29-M90 HydrophobicContact CG-CE 4.17Å; K29-M90 HydrophobicContact CG-SD 3.99Å; I32-M90 HydrophobicContact CD1-CG 3.84Å; A86-M90 WeakPolarHBondContact O-CG 3.36Å; A86-M90 PolarHBondContact O-N 3.49Å; A86-M90 VanDerWaalsContact O-N 3.09Å; Q87-M90 PolarHBondContact O-N 3.48Å; V88-M90 VanDerWaalsContact C-N 3.3Å; V88-M90 PolarHBondContact O-N 3.38Å; M90-S93 PolarHBondContact O-N 3.29Å; M90-N94 PolarHBondContact O-N 2.99Å; M90-N94 VanDerWaalsContact O-N 3.14Å; M90-N94 PolarHBondContact O-ND2 3.4Å |
| 91 | A | 91.1 | Very high | 91.5 | Very high | 44 Ų | 44 | 72 Ų | 72 | 36% | 0.364 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65 | -43.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q87 V88 S93 N94 H95 | Q87-A91 PolarHBondContact O-N 3.47Å; V88-A91 PolarHBondContact O-N 3.45Å; A91-S93 VanDerWaalsContact C-N 3.33Å; A91-S93 PolarHBondContact O-N 2.93Å; A91-N94 PolarHBondContact O-N 3Å; A91-H95 PolarHBondContact O-CD2 3.42Å; A91-H95 VanDerWaalsContact O-CD2 3.23Å; A91-H95 PolarHBondContact O-N 3.49Å |
| 92 | L | 91.8 | Very high | 91.2 | Very high | 121 Ų | 121 | 73 Ų | 73 | 63% | 0.634 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -60 | -44 | 177 | -176.5 | 67.1 | 0 | 0 | 0 | 111.4 | V88 N94 H95 L96 | V88-L92 WeakPolarHBondContact O-CB 3.47Å; V88-L92 PolarHBondContact O-N 3.48Å; L92-N94 PolarHBondContact O-N 3.01Å; L92-H95 PolarHBondContact O-N 3.37Å; L92-L96 WeakPolarHBondContact O-CB 3.39Å; L92-L96 PolarHBondContact O-N 3.31Å |
| 93 | S | 89.6 | Confident | 91.2 | Very high | 14 Ų | 14 | 77.2 Ų | 77.2 | 10% | 0.098 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 177.1 | -178.7 | 0 | 0 | 0 | 0 | 112.5 | I25 M89 M90 A91 L96 N97 | I25-S93 WeakPolarHBondContact CD1-OG 3.18Å; I25-S93 WeakPolarHBondContact CG1-OG 3.39Å; M89-S93 PolarHBondContact O-N 2.84Å; M90-S93 PolarHBondContact O-N 3.29Å; A91-S93 VanDerWaalsContact C-N 3.33Å; A91-S93 PolarHBondContact O-N 2.93Å; S93-L96 PolarHBondContact O-N 2.98Å; S93-N97 WeakPolarHBondContact O-CB 2.99Å; S93-N97 VanDerWaalsContact O-CG 3.29Å; S93-N97 PolarHBondContact O-N 3.12Å; S93-N97 PolarHBondContact O-ND2 3.17Å |
| 94 | N | 89.1 | Confident | 91.2 | Very high | 99 Ų | 99 | 82.5 Ų | 82.5 | 53% | 0.529 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 175.7 | -70.5 | -28.3 | 0 | 0 | 0 | 112.2 | M90 A91 L92 N97 A98 | M90-N94 PolarHBondContact O-N 2.99Å; M90-N94 VanDerWaalsContact O-N 3.14Å; M90-N94 PolarHBondContact O-ND2 3.4Å; A91-N94 PolarHBondContact O-N 3Å; L92-N94 PolarHBondContact O-N 3.01Å; N94-N97 PolarHBondContact O-N 3.4Å; N94-A98 PolarHBondContact O-N 3.37Å |
| 95 | H | 92.8 | Very high | 91.1 | Very high | 134 Ų | 134 | 86.6 Ų | 86.6 | 62% | 0.62 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -64.1 | -42.5 | 175.6 | -79.4 | -59.1 | 0 | 0 | 0 | 112 | A91 L92 N97 A98 V99 | A91-H95 PolarHBondContact O-CD2 3.42Å; A91-H95 VanDerWaalsContact O-CD2 3.23Å; A91-H95 PolarHBondContact O-N 3.49Å; L92-H95 PolarHBondContact O-N 3.37Å; H95-N97 PolarHBondContact O-N 3.15Å; H95-A98 PolarHBondContact O-N 3.1Å; H95-V99 WeakPolarHBondContact O-CG2 3.48Å; H95-V99 PolarHBondContact O-N 3.3Å |
| 96 | L | 91.1 | Very high | 90.9 | Very high | 80 Ų | 80 | 85.3 Ų | 85.3 | 42% | 0.419 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.9 | -47.5 | 176.2 | -176.8 | 63.1 | 0 | 0 | 0 | 111.2 | L92 S93 A98 V99 E100 | L92-L96 WeakPolarHBondContact O-CB 3.39Å; L92-L96 PolarHBondContact O-N 3.31Å; S93-L96 PolarHBondContact O-N 2.98Å; L96-A98 VanDerWaalsContact C-N 3.31Å; L96-A98 PolarHBondContact O-N 3.48Å; L96-V99 PolarHBondContact O-N 3.03Å; L96-E100 WeakPolarHBondContact O-CG 3.37Å; L96-E100 PolarHBondContact O-N 3.2Å |
| 97 | N | 88.2 | Confident | 91 | Very high | 61 Ų | 61 | 91.7 Ų | 91.7 | 33% | 0.326 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.6 | -38.9 | 177 | -72.8 | -18.2 | 0 | 0 | 0 | 112.4 | Q21 S93 N94 H95 S101 | Q21-N97 PolarHBondContact NE2-OD1 3.34Å; S93-N97 WeakPolarHBondContact O-CB 2.99Å; S93-N97 VanDerWaalsContact O-CG 3.29Å; S93-N97 PolarHBondContact O-N 3.12Å; S93-N97 PolarHBondContact O-ND2 3.17Å; N94-N97 PolarHBondContact O-N 3.4Å; H95-N97 PolarHBondContact O-N 3.15Å; N97-S101 WeakPolarHBondContact O-CB 3.37Å; N97-S101 PolarHBondContact O-N 2.95Å |
| 98 | A | 89.8 | Confident | 90.9 | Very high | 44 Ų | 44 | 87.3 Ų | 87.3 | 36% | 0.364 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63 | -49.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | N94 H95 L96 E100 S101 E102 | N94-A98 PolarHBondContact O-N 3.37Å; H95-A98 PolarHBondContact O-N 3.1Å; L96-A98 VanDerWaalsContact C-N 3.31Å; L96-A98 PolarHBondContact O-N 3.48Å; A98-E100 VanDerWaalsContact C-N 3.34Å; A98-E100 PolarHBondContact O-N 3.36Å; A98-S101 PolarHBondContact O-N 3.27Å; A98-S101 PolarHBondContact O-OG 3.16Å; A98-E102 PolarHBondContact O-N 3.34Å |
| 99 | V | 92.6 | Very high | 90.9 | Very high | 90 Ų | 90 | 88 Ų | 88 | 55% | 0.545 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.8 | -40.8 | 178.3 | 172.1 | 0 | 0 | 0 | 0 | 111.5 | H95 L96 E102 K103 | H95-V99 WeakPolarHBondContact O-CG2 3.48Å; H95-V99 PolarHBondContact O-N 3.3Å; L96-V99 PolarHBondContact O-N 3.03Å; V99-E102 PolarHBondContact O-N 3.18Å; V99-K103 WeakPolarHBondContact O-CB 3.21Å; V99-K103 PolarHBondContact O-N 3.02Å |
| 100 | E | 90.4 | Very high | 90.9 | Very high | 80 Ų | 80 | 87.4 Ų | 87.4 | 37% | 0.374 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.2 | -40.4 | 175.6 | -76.1 | -173 | 172 | 0 | 0 | 112.4 | L96 A98 E102 K103 Q104 | L96-E100 WeakPolarHBondContact O-CG 3.37Å; L96-E100 PolarHBondContact O-N 3.2Å; A98-E100 VanDerWaalsContact C-N 3.34Å; A98-E100 PolarHBondContact O-N 3.36Å; E100-E102 VanDerWaalsContact C-N 3.33Å; E100-E102 PolarHBondContact O-N 3.31Å; E100-K103 WeakPolarHBondContact O-CB 3.33Å; E100-K103 PolarHBondContact O-N 2.92Å; E100-Q104 WeakPolarHBondContact O-CG 3.4Å; E100-Q104 PolarHBondContact O-N 3.24Å |
| 101 | S | 88.9 | Confident | 91 | Very high | 47 Ų | 47 | 93 Ų | 93 | 33% | 0.329 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.8 | -38.5 | 175.7 | 83.2 | 0 | 0 | 0 | 0 | 112 | N97 A98 Q104 K105 | N97-S101 WeakPolarHBondContact O-CB 3.37Å; N97-S101 PolarHBondContact O-N 2.95Å; A98-S101 PolarHBondContact O-N 3.27Å; A98-S101 PolarHBondContact O-OG 3.16Å; S101-Q104 PolarHBondContact O-N 3.08Å; S101-K105 WeakPolarHBondContact O-CG 3.44Å; S101-K105 PolarHBondContact O-N 3.41Å |
| 102 | E | 88.9 | Confident | 91.2 | Very high | 117 Ų | 117 | 99.6 Ų | 99.6 | 55% | 0.547 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.4 | -44.3 | 175.1 | -72.2 | -173.7 | 165.2 | 0 | 0 | 111.5 | A98 V99 E100 Q104 K105 L106 | A98-E102 PolarHBondContact O-N 3.34Å; V99-E102 PolarHBondContact O-N 3.18Å; E100-E102 VanDerWaalsContact C-N 3.33Å; E100-E102 PolarHBondContact O-N 3.31Å; E102-Q104 VanDerWaalsContact C-N 3.28Å; E102-Q104 PolarHBondContact O-N 3.45Å; E102-K105 WeakPolarHBondContact O-CB 3.24Å; E102-K105 PolarHBondContact O-N 2.95Å; E102-K105 VanDerWaalsContact O-N 3.16Å; E102-L106 WeakPolarHBondContact O-CG 3.47Å; E102-L106 PolarHBondContact O-N 3.17Å |
| 103 | K | 92.7 | Very high | 91.1 | Very high | 109 Ų | 109 | 97 Ų | 97 | 47% | 0.474 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -56.6 | -41.6 | 173 | 177.9 | -178.1 | 175.7 | -178.8 | 0 | 111.7 | V99 E100 R107 | V99-K103 WeakPolarHBondContact O-CB 3.21Å; V99-K103 PolarHBondContact O-N 3.02Å; E100-K103 WeakPolarHBondContact O-CB 3.33Å; E100-K103 PolarHBondContact O-N 2.92Å; K103-R107 WeakPolarHBondContact O-CB 3.4Å; K103-R107 WeakPolarHBondContact O-CG 3.42Å; K103-R107 PolarHBondContact O-N 2.91Å |
| 104 | Q | 91.8 | Very high | 91.2 | Very high | 130 Ų | 130 | 100.1 Ų | 100.1 | 61% | 0.607 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.3 | -41.7 | 176.6 | -73.8 | -180 | 8.4 | 0 | 0 | 112.3 | E100 S101 E102 R107 A108 | E100-Q104 WeakPolarHBondContact O-CG 3.4Å; E100-Q104 PolarHBondContact O-N 3.24Å; S101-Q104 PolarHBondContact O-N 3.08Å; E102-Q104 VanDerWaalsContact C-N 3.28Å; E102-Q104 PolarHBondContact O-N 3.45Å; Q104-R107 PolarHBondContact O-N 2.86Å; Q104-A108 PolarHBondContact O-N 3.34Å |
| 105 | K | 91 | Very high | 91.5 | Very high | 143 Ų | 143 | 102 Ų | 102 | 62% | 0.622 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.1 | -47.6 | 174.5 | -71.9 | 169.6 | -174.4 | 170.2 | 0 | 111.6 | S101 E102 R107 A108 Q109 | S101-K105 WeakPolarHBondContact O-CG 3.44Å; S101-K105 PolarHBondContact O-N 3.41Å; E102-K105 WeakPolarHBondContact O-CB 3.24Å; E102-K105 PolarHBondContact O-N 2.95Å; E102-K105 VanDerWaalsContact O-N 3.16Å; K105-R107 PolarHBondContact O-N 3.3Å; K105-A108 WeakPolarHBondContact O-CB 3.29Å; K105-A108 PolarHBondContact O-N 3.48Å; K105-A108 VanDerWaalsContact O-N 3.15Å; K105-Q109 PolarHBondContact O-N 3.46Å |
| 106 | L | 90.9 | Very high | 91.5 | Very high | 105 Ų | 105 | 99.8 Ų | 99.8 | 55% | 0.55 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 177.7 | -70.8 | 173.1 | 0 | 0 | 0 | 111.6 | E102 A108 Q109 V110 | E102-L106 WeakPolarHBondContact O-CG 3.47Å; E102-L106 PolarHBondContact O-N 3.17Å; L106-A108 VanDerWaalsContact C-N 3.31Å; L106-A108 PolarHBondContact O-N 3.49Å; L106-Q109 WeakPolarHBondContact O-CB 3.28Å; L106-Q109 PolarHBondContact O-N 2.7Å; L106-V110 WeakPolarHBondContact O-CG2 3.23Å; L106-V110 PolarHBondContact O-N 3.28Å |
| 107 | R | 92.1 | Very high | 91.7 | Very high | 142 Ų | 142 | 100.4 Ų | 100.4 | 54% | 0.536 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.6 | -39.2 | 173.9 | -78.3 | 177.2 | 170.2 | -179 | -6 | 112.7 | K103 Q104 K105 R111 | K103-R107 WeakPolarHBondContact O-CB 3.4Å; K103-R107 WeakPolarHBondContact O-CG 3.42Å; K103-R107 PolarHBondContact O-N 2.91Å; Q104-R107 PolarHBondContact O-N 2.86Å; K105-R107 PolarHBondContact O-N 3.3Å; R107-R111 WeakPolarHBondContact O-CG 3.31Å; R107-R111 PolarHBondContact O-N 3.44Å; R107-R111 VanDerWaalsContact O-N 3.13Å |
| 108 | A | 89.8 | Confident | 92 | Very high | 45 Ų | 45 | 102.1 Ų | 102.1 | 37% | 0.372 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67 | -39.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q104 K105 L106 R111 R112 | Q104-A108 PolarHBondContact O-N 3.34Å; K105-A108 WeakPolarHBondContact O-CB 3.29Å; K105-A108 PolarHBondContact O-N 3.48Å; K105-A108 VanDerWaalsContact O-N 3.15Å; L106-A108 VanDerWaalsContact C-N 3.31Å; L106-A108 PolarHBondContact O-N 3.49Å; A108-R111 PolarHBondContact O-N 2.94Å; A108-R112 PolarHBondContact O-N 3.12Å |
| 109 | Q | 92.9 | Very high | 92.3 | Very high | 112 Ų | 112 | 107.4 Ų | 107.4 | 52% | 0.523 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 175.4 | -172.6 | 177.3 | 8.6 | 0 | 0 | 111.8 | K105 L106 R111 R112 L113 | K105-Q109 PolarHBondContact O-N 3.46Å; L106-Q109 WeakPolarHBondContact O-CB 3.28Å; L106-Q109 PolarHBondContact O-N 2.7Å; Q109-R111 VanDerWaalsContact C-N 3.34Å; Q109-R111 PolarHBondContact O-N 2.85Å; Q109-R112 PolarHBondContact O-N 3.5Å; Q109-L113 HydrophobicContact CG-CD1 4.22Å; Q109-L113 WeakPolarHBondContact O-CG 3.4Å; Q109-L113 PolarHBondContact O-N 3.04Å |
| 110 | V | 93 | Very high | 92.3 | Very high | 87 Ų | 87 | 107.2 Ų | 107.2 | 53% | 0.527 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.6 | -45.8 | 175.6 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | L106 R112 L113 C114 | L106-V110 WeakPolarHBondContact O-CG2 3.23Å; L106-V110 PolarHBondContact O-N 3.28Å; V110-R112 VanDerWaalsContact C-N 3.35Å; V110-R112 PolarHBondContact O-N 3Å; V110-L113 PolarHBondContact O-N 3.27Å; V110-C114 PolarHBondContact O-N 2.95Å; V110-C114 PolarHBondContact O-SG 3.33Å; V110-C114 VanDerWaalsContact O-SG 3.33Å |
| 111 | R | 93.2 | Very high | 92.5 | Very high | 150 Ų | 150 | 111.5 Ų | 111.5 | 57% | 0.566 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.7 | -43.6 | 176.4 | -74.3 | -169.7 | -62.1 | -89.6 | 2.3 | 112.5 | R107 A108 Q109 C114 Q115 | R107-R111 WeakPolarHBondContact O-CG 3.31Å; R107-R111 PolarHBondContact O-N 3.44Å; R107-R111 VanDerWaalsContact O-N 3.13Å; A108-R111 PolarHBondContact O-N 2.94Å; Q109-R111 VanDerWaalsContact C-N 3.34Å; Q109-R111 PolarHBondContact O-N 2.85Å; R111-C114 PolarHBondContact O-N 3.1Å; R111-Q115 WeakPolarHBondContact O-CG 2.94Å; R111-Q115 PolarHBondContact O-N 3.37Å |
| 112 | R | 93.8 | Very high | 92.8 | Very high | 182 Ų | 182 | 113.5 Ų | 113.5 | 69% | 0.687 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.7 | -47.1 | 176.2 | -178.4 | -174.3 | -73.7 | -174.3 | -4.7 | 111.2 | A108 Q109 V110 C114 Q115 E116 | A108-R112 PolarHBondContact O-N 3.12Å; Q109-R112 PolarHBondContact O-N 3.5Å; V110-R112 VanDerWaalsContact C-N 3.35Å; V110-R112 PolarHBondContact O-N 3Å; R112-C114 VanDerWaalsContact C-N 3.32Å; R112-C114 PolarHBondContact O-N 2.98Å; R112-Q115 PolarHBondContact O-N 3.34Å; R112-E116 WeakPolarHBondContact O-CB 3.26Å; R112-E116 PolarHBondContact O-N 2.87Å |
| 113 | L | 90.1 | Very high | 93.1 | Very high | 67 Ų | 67 | 111.5 Ų | 111.5 | 35% | 0.351 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.6 | -36.9 | 179.1 | -72.2 | 172.6 | 0 | 0 | 0 | 112.2 | Q109 V110 N117 | Q109-L113 HydrophobicContact CG-CD1 4.22Å; Q109-L113 WeakPolarHBondContact O-CG 3.4Å; Q109-L113 PolarHBondContact O-N 3.04Å; V110-L113 PolarHBondContact O-N 3.27Å; L113-N117 WeakPolarHBondContact O-CB 3.45Å; L113-N117 PolarHBondContact O-N 2.63Å; L113-N117 PolarHBondContact O-ND2 3.31Å |
| 114 | C | 93.3 | Very high | 93.2 | Very high | 79 Ų | 79 | 111 Ų | 111 | 53% | 0.534 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.7 | -41.6 | 174.1 | -68.9 | 0 | 0 | 0 | 0 | 111.9 | V110 R111 R112 N117 Q118 | V110-C114 PolarHBondContact O-N 2.95Å; V110-C114 PolarHBondContact O-SG 3.33Å; V110-C114 VanDerWaalsContact O-SG 3.33Å; R111-C114 PolarHBondContact O-N 3.1Å; R112-C114 VanDerWaalsContact C-N 3.32Å; R112-C114 PolarHBondContact O-N 2.98Å; C114-N117 PolarHBondContact O-N 2.63Å; C114-Q118 PolarHBondContact O-N 3.47Å |
| 115 | Q | 94.4 | Very high | 93.4 | Very high | 138 Ų | 138 | 107.2 Ų | 107.2 | 65% | 0.645 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.6 | -43.6 | 176.4 | -72.4 | 170.8 | -12 | 0 | 0 | 111.9 | R111 R112 Q118 W119 | R111-Q115 WeakPolarHBondContact O-CG 2.94Å; R111-Q115 PolarHBondContact O-N 3.37Å; R112-Q115 PolarHBondContact O-N 3.34Å; Q115-Q118 PolarHBondContact O-N 3.36Å; Q115-W119 PolarHBondContact O-N 3.08Å |
| 116 | E | 93.5 | Very high | 93.6 | Very high | 88 Ų | 88 | 103.4 Ų | 103.4 | 41% | 0.411 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 176.8 | -172.5 | 177.5 | 178.9 | 0 | 0 | 111.6 | R112 Q118 W119 L120 | R112-E116 WeakPolarHBondContact O-CB 3.26Å; R112-E116 PolarHBondContact O-N 2.87Å; E116-Q118 VanDerWaalsContact C-N 3.32Å; E116-Q118 PolarHBondContact O-N 3.32Å; E116-W119 PolarHBondContact O-N 2.6Å; E116-L120 HydrophobicContact CG-CD1 4.37Å; E116-L120 WeakPolarHBondContact O-CB 3.25Å; E116-L120 VanDerWaalsContact O-CG 3.31Å; E116-L120 WeakPolarHBondContact O-CG 3.37Å; E116-L120 PolarHBondContact O-N 3.45Å |
| 117 | N | 93.7 | Very high | 93.7 | Very high | 92 Ų | 92 | 101.4 Ų | 101.4 | 49% | 0.492 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.8 | -37.4 | 174.1 | -84.3 | -68.6 | 0 | 0 | 0 | 112.6 | L113 C114 R121 | L113-N117 WeakPolarHBondContact O-CB 3.45Å; L113-N117 PolarHBondContact O-N 2.63Å; L113-N117 PolarHBondContact O-ND2 3.31Å; C114-N117 PolarHBondContact O-N 2.63Å; N117-R121 VanDerWaalsContact O-CG 3.31Å; N117-R121 WeakPolarHBondContact O-CG 3.4Å; N117-R121 PolarHBondContact O-N 3.13Å; N117-R121 VanDerWaalsContact O-N 3.14Å |
| 118 | Q | 94.9 | Very high | 93.8 | Very high | 97 Ų | 97 | 100.2 Ų | 100.2 | 45% | 0.453 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.9 | -48.4 | 175.5 | -175.7 | 59.8 | 36.6 | 0 | 0 | 110.6 | C114 Q115 E116 L120 R121 D122 | C114-Q118 PolarHBondContact O-N 3.47Å; Q115-Q118 PolarHBondContact O-N 3.36Å; E116-Q118 VanDerWaalsContact C-N 3.32Å; E116-Q118 PolarHBondContact O-N 3.32Å; Q118-L120 VanDerWaalsContact C-N 3.34Å; Q118-L120 PolarHBondContact O-N 2.98Å; Q118-R121 WeakPolarHBondContact O-CB 3.5Å; Q118-R121 PolarHBondContact O-N 3.2Å; Q118-R121 VanDerWaalsContact O-N 3.11Å; Q118-D122 PolarHBondContact NE2-OD1 3.49Å; Q118-D122 VanDerWaalsContact NE2-OD1 3.1Å; Q118-D122 PolarHBondContact NE2-OD2 2.88Å; Q118-D122 VanDerWaalsContact O-CG 3.31Å; Q118-D122 PolarHBondContact O-N 3.33Å |
| 119 | W | 95.7 | Very high | 94.1 | Very high | 156 Ų | 156 | 103 Ų | 103 | 59% | 0.591 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -58.8 | -43.3 | 177.6 | -178.7 | 80.6 | 0 | 0 | 0 | 112.5 | Q115 E116 R121 D122 E123 | Q115-W119 PolarHBondContact O-N 3.08Å; E116-W119 PolarHBondContact O-N 2.6Å; W119-R121 VanDerWaalsContact C-N 3.3Å; W119-R121 PolarHBondContact O-N 3.39Å; W119-D122 PolarHBondContact O-N 3.46Å; W119-E123 PolarHBondContact O-N 3.14Å |
| 120 | L | 93.5 | Very high | 94.2 | Very high | 85 Ų | 85 | 103.6 Ų | 103.6 | 45% | 0.445 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63 | -35.2 | 176.5 | -73.2 | 171.9 | 0 | 0 | 0 | 112.8 | E116 Q118 L124 | E116-L120 HydrophobicContact CG-CD1 4.37Å; E116-L120 WeakPolarHBondContact O-CB 3.25Å; E116-L120 VanDerWaalsContact O-CG 3.31Å; E116-L120 WeakPolarHBondContact O-CG 3.37Å; E116-L120 PolarHBondContact O-N 3.45Å; Q118-L120 VanDerWaalsContact C-N 3.34Å; Q118-L120 PolarHBondContact O-N 2.98Å; L120-L124 VanDerWaalsContact O-CB 3.3Å; L120-L124 WeakPolarHBondContact O-CB 3.5Å; L120-L124 PolarHBondContact O-N 3.2Å |
| 121 | R | 95.3 | Very high | 94.3 | Very high | 171 Ų | 171 | 104 Ų | 104 | 65% | 0.645 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.7 | -41 | 174.7 | -74.2 | 172.9 | 177.2 | -165.7 | -2.3 | 111.4 | N117 Q118 W119 L124 A125 | N117-R121 VanDerWaalsContact O-CG 3.31Å; N117-R121 WeakPolarHBondContact O-CG 3.4Å; N117-R121 PolarHBondContact O-N 3.13Å; N117-R121 VanDerWaalsContact O-N 3.14Å; Q118-R121 WeakPolarHBondContact O-CB 3.5Å; Q118-R121 PolarHBondContact O-N 3.2Å; Q118-R121 VanDerWaalsContact O-N 3.11Å; W119-R121 VanDerWaalsContact C-N 3.3Å; W119-R121 PolarHBondContact O-N 3.39Å; R121-L124 PolarHBondContact O-N 3.28Å; R121-A125 WeakPolarHBondContact O-CB 3.38Å; R121-A125 PolarHBondContact O-N 3.28Å |
| 122 | D | 95.3 | Very high | 94.4 | Very high | 89 Ų | 89 | 102.1 Ų | 102.1 | 48% | 0.476 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.4 | -40.8 | 178.6 | -61.5 | -22.8 | 0 | 0 | 0 | 110.9 | Q118 W119 A125 N126 | Q118-D122 PolarHBondContact NE2-OD1 3.49Å; Q118-D122 VanDerWaalsContact NE2-OD1 3.1Å; Q118-D122 PolarHBondContact NE2-OD2 2.88Å; Q118-D122 VanDerWaalsContact O-CG 3.31Å; Q118-D122 PolarHBondContact O-N 3.33Å; W119-D122 PolarHBondContact O-N 3.46Å; D122-A125 PolarHBondContact O-N 2.97Å; D122-N126 PolarHBondContact O-N 3.21Å |
| 123 | E | 95.4 | Very high | 94.5 | Very high | 74 Ų | 74 | 99.4 Ų | 99.4 | 35% | 0.346 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.6 | -39.8 | 175.4 | -168.4 | 59 | -146.4 | 0 | 0 | 112 | W119 A125 N126 T127 | W119-E123 PolarHBondContact O-N 3.14Å; E123-A125 VanDerWaalsContact C-N 3.34Å; E123-A125 PolarHBondContact O-N 3.3Å; E123-N126 PolarHBondContact O-N 2.93Å; E123-T127 WeakPolarHBondContact O-CG2 3.31Å; E123-T127 PolarHBondContact O-N 3.41Å; E123-T127 PolarHBondContact O-OG1 3.5Å; E123-T127 VanDerWaalsContact O-OG1 3.06Å |
| 124 | L | 93.4 | Very high | 94.7 | Very high | 99 Ų | 99 | 99 Ų | 99 | 52% | 0.518 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 173 | -177.4 | 66.6 | 0 | 0 | 0 | 111.3 | L120 R121 N126 T127 Q128 | L120-L124 VanDerWaalsContact O-CB 3.3Å; L120-L124 WeakPolarHBondContact O-CB 3.5Å; L120-L124 PolarHBondContact O-N 3.2Å; R121-L124 PolarHBondContact O-N 3.28Å; L124-N126 VanDerWaalsContact C-N 3.35Å; L124-N126 PolarHBondContact O-N 3.04Å; L124-T127 WeakPolarHBondContact CA-OG1 3.48Å; L124-T127 PolarHBondContact O-N 2.97Å; L124-T127 PolarHBondContact O-OG1 3.48Å; L124-Q128 WeakPolarHBondContact O-CB 3.34Å; L124-Q128 VanDerWaalsContact O-CG 3.28Å; L124-Q128 WeakPolarHBondContact O-CG 3.33Å; L124-Q128 PolarHBondContact O-N 3.49Å |
| 125 | A | 95.4 | Very high | 94.7 | Very high | 51 Ų | 51 | 100.6 Ų | 100.6 | 42% | 0.421 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | R121 D122 E123 Q128 Q129 | R121-A125 WeakPolarHBondContact O-CB 3.38Å; R121-A125 PolarHBondContact O-N 3.28Å; D122-A125 PolarHBondContact O-N 2.97Å; E123-A125 VanDerWaalsContact C-N 3.34Å; E123-A125 PolarHBondContact O-N 3.3Å; A125-Q128 PolarHBondContact O-N 3.5Å; A125-Q129 WeakPolarHBondContact O-CB 3.31Å; A125-Q129 PolarHBondContact O-N 2.89Å |
| 126 | N | 95.6 | Very high | 94.8 | Very high | 63 Ų | 63 | 99.3 Ų | 99.3 | 34% | 0.337 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 177.3 | -169.3 | -5.3 | 0 | 0 | 0 | 112 | D122 E123 L124 Q128 Q129 K130 | D122-N126 PolarHBondContact O-N 3.21Å; E123-N126 PolarHBondContact O-N 2.93Å; L124-N126 VanDerWaalsContact C-N 3.35Å; L124-N126 PolarHBondContact O-N 3.04Å; N126-Q128 PolarHBondContact O-N 3.1Å; N126-Q129 PolarHBondContact O-N 2.76Å; N126-K130 WeakPolarHBondContact O-CG 3.41Å; N126-K130 PolarHBondContact O-N 3Å; N126-K130 WeakPolarHBondContact OD1-CE 3.44Å |
| 127 | T | 93.1 | Very high | 94.8 | Very high | 62 Ų | 62 | 97.9 Ų | 97.9 | 38% | 0.38 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.4 | -40 | 176.9 | 52.2 | 0 | 0 | 0 | 0 | 112.2 | E123 L124 Q129 K130 L131 | E123-T127 WeakPolarHBondContact O-CG2 3.31Å; E123-T127 PolarHBondContact O-N 3.41Å; E123-T127 PolarHBondContact O-OG1 3.5Å; E123-T127 VanDerWaalsContact O-OG1 3.06Å; L124-T127 WeakPolarHBondContact CA-OG1 3.48Å; L124-T127 PolarHBondContact O-N 2.97Å; L124-T127 PolarHBondContact O-OG1 3.48Å; T127-Q129 VanDerWaalsContact C-N 3.35Å; T127-Q129 PolarHBondContact O-N 2.86Å; T127-K130 PolarHBondContact O-N 2.98Å; T127-L131 PolarHBondContact O-N 2.95Å |
| 128 | Q | 94.9 | Very high | 94.9 | Very high | 118 Ų | 118 | 97.1 Ų | 97.1 | 55% | 0.551 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.2 | -41.9 | 172.5 | -75.3 | 176 | -12.4 | 0 | 0 | 112.1 | L124 A125 N126 K130 L131 Q132 | L124-Q128 WeakPolarHBondContact O-CB 3.34Å; L124-Q128 VanDerWaalsContact O-CG 3.28Å; L124-Q128 WeakPolarHBondContact O-CG 3.33Å; L124-Q128 PolarHBondContact O-N 3.49Å; A125-Q128 PolarHBondContact O-N 3.5Å; N126-Q128 PolarHBondContact O-N 3.1Å; Q128-K130 PolarHBondContact O-N 2.77Å; Q128-L131 PolarHBondContact O-N 3.04Å; Q128-Q132 PolarHBondContact O-N 3.18Å |
| 129 | Q | 96.8 | Very high | 94.9 | Very high | 103 Ų | 103 | 94.7 Ų | 94.7 | 48% | 0.481 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.5 | -39.8 | 176.7 | -168.1 | -175.8 | 17.4 | 0 | 0 | 112.1 | A125 N126 T127 Q132 K133 | A125-Q129 WeakPolarHBondContact O-CB 3.31Å; A125-Q129 PolarHBondContact O-N 2.89Å; N126-Q129 PolarHBondContact O-N 2.76Å; T127-Q129 VanDerWaalsContact C-N 3.35Å; T127-Q129 PolarHBondContact O-N 2.86Å; Q129-Q132 PolarHBondContact O-N 3.21Å; Q129-K133 WeakPolarHBondContact O-CG 3.22Å; Q129-K133 PolarHBondContact O-N 3.38Å |
| 130 | K | 95 | Very high | 94.8 | Very high | 124 Ų | 124 | 93 Ų | 93 | 54% | 0.539 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 175.2 | -72.4 | 174.5 | -177.6 | 170.8 | 0 | 111.7 | N126 T127 Q128 K133 S134 | N126-K130 WeakPolarHBondContact O-CG 3.41Å; N126-K130 PolarHBondContact O-N 3Å; N126-K130 WeakPolarHBondContact OD1-CE 3.44Å; T127-K130 PolarHBondContact O-N 2.98Å; Q128-K130 PolarHBondContact O-N 2.77Å; K130-K133 PolarHBondContact O-N 2.89Å; K130-S134 PolarHBondContact O-N 3.34Å |
| 131 | L | 94.1 | Very high | 94.8 | Very high | 96 Ų | 96 | 93.7 Ų | 93.7 | 50% | 0.503 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.4 | -50.9 | 175.3 | 179.7 | 63.6 | 0 | 0 | 0 | 110.6 | T127 Q128 K133 S134 E135 | T127-L131 PolarHBondContact O-N 2.95Å; Q128-L131 PolarHBondContact O-N 3.04Å; L131-K133 VanDerWaalsContact C-N 3.29Å; L131-K133 PolarHBondContact O-N 3.21Å; L131-S134 WeakPolarHBondContact O-CA 3.44Å; L131-S134 PolarHBondContact O-N 3.06Å; L131-S134 PolarHBondContact O-OG 2.88Å; L131-E135 HydrophobicContact CD1-CG 4.38Å; L131-E135 HydrophobicContact CG-CG 4.45Å; L131-E135 WeakPolarHBondContact O-CG 3.4Å; L131-E135 PolarHBondContact O-N 3.38Å |
| 132 | Q | 95.8 | Very high | 94.7 | Very high | 111 Ų | 111 | 90.6 Ų | 90.6 | 52% | 0.519 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58.2 | -40.4 | 178.6 | -170.1 | -179.4 | 19.1 | 0 | 0 | 112.4 | Q128 Q129 E135 Q136 | Q128-Q132 PolarHBondContact O-N 3.18Å; Q129-Q132 PolarHBondContact O-N 3.21Å; Q132-E135 PolarHBondContact O-N 3.28Å; Q132-Q136 VanDerWaalsContact O-CG 3.32Å; Q132-Q136 WeakPolarHBondContact O-CG 3.47Å; Q132-Q136 PolarHBondContact O-N 3.16Å |
| 133 | K | 95.3 | Very high | 94.7 | Very high | 124 Ų | 124 | 92.9 Ų | 92.9 | 54% | 0.539 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.5 | -40.4 | 174.3 | -75 | 177.8 | 179.3 | 179.6 | 0 | 112.4 | Q129 K130 L131 Q136 S137 | Q129-K133 WeakPolarHBondContact O-CG 3.22Å; Q129-K133 PolarHBondContact O-N 3.38Å; K130-K133 PolarHBondContact O-N 2.89Å; L131-K133 VanDerWaalsContact C-N 3.29Å; L131-K133 PolarHBondContact O-N 3.21Å; K133-Q136 PolarHBondContact O-N 3.26Å; K133-S137 PolarHBondContact O-N 3.41Å |
| 134 | S | 93.9 | Very high | 94.6 | Very high | 58 Ų | 58 | 94.9 Ų | 94.9 | 41% | 0.406 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67 | -38.9 | 176.6 | 70.1 | 0 | 0 | 0 | 0 | 112 | K130 L131 S137 V138 | K130-S134 PolarHBondContact O-N 3.34Å; L131-S134 WeakPolarHBondContact O-CA 3.44Å; L131-S134 PolarHBondContact O-N 3.06Å; L131-S134 PolarHBondContact O-OG 2.88Å; S134-S137 WeakPolarHBondContact O-CB 3.18Å; S134-S137 PolarHBondContact O-N 2.97Å; S134-V138 WeakPolarHBondContact O-CG2 3.16Å; S134-V138 PolarHBondContact O-N 3.07Å |
| 135 | E | 94.4 | Very high | 94.7 | Very high | 114 Ų | 114 | 96 Ų | 96 | 53% | 0.533 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 175 | -71.5 | 173.5 | 167.4 | 0 | 0 | 111.4 | L131 Q132 S137 V138 A139 | L131-E135 HydrophobicContact CD1-CG 4.38Å; L131-E135 HydrophobicContact CG-CG 4.45Å; L131-E135 WeakPolarHBondContact O-CG 3.4Å; L131-E135 PolarHBondContact O-N 3.38Å; Q132-E135 PolarHBondContact O-N 3.28Å; E135-S137 PolarHBondContact O-N 3.23Å; E135-V138 PolarHBondContact O-N 3.44Å; E135-A139 PolarHBondContact O-N 2.88Å |
| 136 | Q | 95.4 | Very high | 94.6 | Very high | 111 Ų | 111 | 99.8 Ų | 99.8 | 52% | 0.519 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 173.5 | -73.6 | 173.2 | -0.3 | 0 | 0 | 112.2 | Q132 K133 A139 Q140 | Q132-Q136 VanDerWaalsContact O-CG 3.32Å; Q132-Q136 WeakPolarHBondContact O-CG 3.47Å; Q132-Q136 PolarHBondContact O-N 3.16Å; K133-Q136 PolarHBondContact O-N 3.26Å; Q136-A139 PolarHBondContact O-N 3.48Å; Q136-Q140 WeakPolarHBondContact O-CG 3.45Å; Q136-Q140 PolarHBondContact O-N 3.23Å |
| 137 | S | 94.9 | Very high | 94.5 | Very high | 57 Ų | 57 | 102.4 Ų | 102.4 | 40% | 0.399 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 176.4 | -176.2 | 0 | 0 | 0 | 0 | 112 | K133 S134 E135 A139 Q140 L141 | K133-S137 PolarHBondContact O-N 3.41Å; S134-S137 WeakPolarHBondContact O-CB 3.18Å; S134-S137 PolarHBondContact O-N 2.97Å; E135-S137 PolarHBondContact O-N 3.23Å; S137-A139 PolarHBondContact O-N 3.18Å; S137-Q140 PolarHBondContact O-N 2.9Å; S137-L141 WeakPolarHBondContact O-CG 3.39Å; S137-L141 PolarHBondContact O-N 3.42Å |
| 138 | V | 94.6 | Very high | 94.4 | Very high | 77 Ų | 77 | 105.1 Ų | 105.1 | 47% | 0.467 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 175.5 | 170.9 | 0 | 0 | 0 | 0 | 111 | S134 E135 Q140 L141 E142 | S134-V138 WeakPolarHBondContact O-CG2 3.16Å; S134-V138 PolarHBondContact O-N 3.07Å; E135-V138 PolarHBondContact O-N 3.44Å; V138-Q140 VanDerWaalsContact C-N 3.32Å; V138-Q140 PolarHBondContact O-N 3.2Å; V138-L141 PolarHBondContact O-N 2.89Å; V138-E142 HydrophobicContact CG1-CG 4.42Å; V138-E142 WeakPolarHBondContact O-CG 3.45Å; V138-E142 PolarHBondContact O-N 2.96Å |
| 139 | A | 94.3 | Very high | 94.2 | Very high | 46 Ų | 46 | 103.8 Ų | 103.8 | 38% | 0.38 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E135 Q136 S137 E142 E143 | E135-A139 PolarHBondContact O-N 2.88Å; Q136-A139 PolarHBondContact O-N 3.48Å; S137-A139 PolarHBondContact O-N 3.18Å; A139-E142 PolarHBondContact O-N 3.29Å; A139-E143 WeakPolarHBondContact O-CG 3.34Å; A139-E143 PolarHBondContact O-N 2.96Å |
| 140 | Q | 94.3 | Very high | 93.9 | Very high | 120 Ų | 120 | 104.4 Ų | 104.4 | 56% | 0.561 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.8 | -46.7 | 174.8 | -73.7 | 175.8 | -10.7 | 0 | 0 | 111.9 | Q136 S137 V138 E142 E143 E144 | Q136-Q140 WeakPolarHBondContact O-CG 3.45Å; Q136-Q140 PolarHBondContact O-N 3.23Å; S137-Q140 PolarHBondContact O-N 2.9Å; V138-Q140 VanDerWaalsContact C-N 3.32Å; V138-Q140 PolarHBondContact O-N 3.2Å; Q140-E142 VanDerWaalsContact C-N 3.3Å; Q140-E142 PolarHBondContact O-N 3.49Å; Q140-E143 WeakPolarHBondContact O-CB 3.38Å; Q140-E143 PolarHBondContact O-N 3.05Å; Q140-E143 VanDerWaalsContact O-N 3.16Å; Q140-E144 WeakPolarHBondContact O-CG 3.45Å; Q140-E144 PolarHBondContact O-N 3.39Å |
| 141 | L | 93.8 | Very high | 93.5 | Very high | 100 Ų | 100 | 103 Ų | 103 | 52% | 0.524 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.7 | -34.9 | 177.5 | -71.2 | 172.5 | 0 | 0 | 0 | 112.4 | S137 V138 K145 | S137-L141 WeakPolarHBondContact O-CG 3.39Å; S137-L141 PolarHBondContact O-N 3.42Å; V138-L141 PolarHBondContact O-N 2.89Å; L141-K145 VanDerWaalsContact O-CB 3.25Å; L141-K145 WeakPolarHBondContact O-CB 3.26Å; L141-K145 PolarHBondContact O-N 2.97Å |
| 142 | E | 93.8 | Very high | 93.1 | Very high | 106 Ų | 106 | 103 Ų | 103 | 50% | 0.495 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.7 | -37.5 | 174 | -76 | -178 | 179.9 | 0 | 0 | 112.3 | V138 A139 Q140 K146 | V138-E142 HydrophobicContact CG1-CG 4.42Å; V138-E142 WeakPolarHBondContact O-CG 3.45Å; V138-E142 PolarHBondContact O-N 2.96Å; A139-E142 PolarHBondContact O-N 3.29Å; Q140-E142 VanDerWaalsContact C-N 3.3Å; Q140-E142 PolarHBondContact O-N 3.49Å; E142-K146 VanDerWaalsContact O-CG 3.27Å; E142-K146 WeakPolarHBondContact O-CG 3.47Å; E142-K146 PolarHBondContact O-N 3Å |
| 143 | E | 95 | Very high | 92.5 | Very high | 136 Ų | 136 | 103.1 Ų | 103.1 | 64% | 0.636 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.9 | -46 | 173.3 | -72.9 | -179.1 | 177.2 | 0 | 0 | 111.7 | A139 Q140 K145 K146 H147 | A139-E143 WeakPolarHBondContact O-CG 3.34Å; A139-E143 PolarHBondContact O-N 2.96Å; Q140-E143 WeakPolarHBondContact O-CB 3.38Å; Q140-E143 PolarHBondContact O-N 3.05Å; Q140-E143 VanDerWaalsContact O-N 3.16Å; E143-K145 VanDerWaalsContact C-N 3.32Å; E143-K145 PolarHBondContact O-N 2.95Å; E143-K146 PolarHBondContact O-N 2.73Å; E143-H147 PolarHBondContact O-N 3.4Å |
| 144 | E | 92.9 | Very high | 91.8 | Very high | 117 Ų | 117 | 101.3 Ų | 101.3 | 55% | 0.547 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 175.2 | -72.9 | 179.4 | -176.6 | 0 | 0 | 111.6 | Q140 H147 L148 | Q140-E144 WeakPolarHBondContact O-CG 3.45Å; Q140-E144 PolarHBondContact O-N 3.39Å; E144-H147 WeakPolarHBondContact O-CB 3.47Å; E144-H147 PolarHBondContact O-N 2.86Å; E144-L148 WeakPolarHBondContact O-CG 3.23Å; E144-L148 PolarHBondContact O-N 3.37Å |
| 145 | K | 94.6 | Very high | 91 | Very high | 123 Ų | 123 | 105 Ų | 105 | 54% | 0.535 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.4 | -48.1 | 174.7 | 178.5 | -178.5 | 168.1 | -177.2 | 0 | 111.3 | L141 E143 H147 L148 E149 | L141-K145 VanDerWaalsContact O-CB 3.25Å; L141-K145 WeakPolarHBondContact O-CB 3.26Å; L141-K145 PolarHBondContact O-N 2.97Å; E143-K145 VanDerWaalsContact C-N 3.32Å; E143-K145 PolarHBondContact O-N 2.95Å; K145-H147 VanDerWaalsContact C-N 3.27Å; K145-H147 PolarHBondContact O-N 3.47Å; K145-L148 PolarHBondContact O-N 3.08Å; K145-E149 WeakPolarHBondContact CE-OE1 3.39Å; K145-E149 HydrophobicContact CG-CG 4.46Å; K145-E149 IonicContact NZ-OE1 3.81Å; K145-E149 WeakPolarHBondContact O-CB 3.37Å; K145-E149 WeakPolarHBondContact O-CG 3.44Å; K145-E149 PolarHBondContact O-N 3.34Å |
| 146 | K | 94.4 | Very high | 89.9 | Confident | 129 Ų | 129 | 105.8 Ų | 105.8 | 56% | 0.561 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.7 | -39.4 | 176.6 | -75 | 167.9 | -175.2 | 165.3 | 0 | 111.5 | E142 E143 E149 F150 | E142-K146 VanDerWaalsContact O-CG 3.27Å; E142-K146 WeakPolarHBondContact O-CG 3.47Å; E142-K146 PolarHBondContact O-N 3Å; E143-K146 PolarHBondContact O-N 2.73Å; K146-E149 PolarHBondContact O-N 3.45Å; K146-F150 WeakPolarHBondContact O-CB 3.47Å; K146-F150 PolarHBondContact O-N 3.31Å |
| 147 | H | 92.5 | Very high | 88.5 | Confident | 118 Ų | 118 | 108.1 Ų | 108.1 | 55% | 0.546 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 176.4 | -173.3 | 66.6 | 0 | 0 | 0 | 112.1 | E143 E144 K145 F150 M151 | E143-H147 PolarHBondContact O-N 3.4Å; E144-H147 WeakPolarHBondContact O-CB 3.47Å; E144-H147 PolarHBondContact O-N 2.86Å; K145-H147 VanDerWaalsContact C-N 3.27Å; K145-H147 PolarHBondContact O-N 3.47Å; H147-F150 WeakPolarHBondContact O-CB 3.36Å; H147-F150 PolarHBondContact O-N 2.91Å; H147-M151 WeakPolarHBondContact O-CG 3.21Å; H147-M151 PolarHBondContact O-N 3.38Å |
| 148 | L | 91.7 | Very high | 86.9 | Confident | 119 Ų | 119 | 110.5 Ų | 110.5 | 62% | 0.623 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.1 | -41 | 175.7 | -72.1 | 172.4 | 0 | 0 | 0 | 112.2 | E144 K145 F150 M151 N152 | E144-L148 WeakPolarHBondContact O-CG 3.23Å; E144-L148 PolarHBondContact O-N 3.37Å; K145-L148 PolarHBondContact O-N 3.08Å; L148-F150 VanDerWaalsContact C-N 3.32Å; L148-F150 PolarHBondContact O-N 3.37Å; L148-M151 PolarHBondContact O-N 3.45Å; L148-N152 WeakPolarHBondContact O-CB 3.34Å; L148-N152 PolarHBondContact O-N 2.94Å |
| 149 | E | 91.2 | Very high | 85.1 | Confident | 91 Ų | 91 | 112.4 Ų | 112.4 | 43% | 0.425 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 174.4 | -75.2 | 175.3 | 171.6 | 0 | 0 | 111.3 | K145 K146 N152 Q153 | K145-E149 WeakPolarHBondContact CE-OE1 3.39Å; K145-E149 HydrophobicContact CG-CG 4.46Å; K145-E149 IonicContact NZ-OE1 3.81Å; K145-E149 WeakPolarHBondContact O-CB 3.37Å; K145-E149 WeakPolarHBondContact O-CG 3.44Å; K145-E149 PolarHBondContact O-N 3.34Å; K146-E149 PolarHBondContact O-N 3.45Å; E149-N152 PolarHBondContact O-N 2.89Å; E149-Q153 WeakPolarHBondContact O-CG 3.09Å; E149-Q153 PolarHBondContact O-N 3.13Å |
| 150 | F | 90.3 | Very high | 83.1 | Confident | 116 Ų | 116 | 116.8 Ų | 116.8 | 51% | 0.509 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.7 | -46.4 | 174 | 178.1 | -98.9 | 0 | 0 | 0 | 112.3 | K146 H147 L148 N152 Q153 L154 | K146-F150 WeakPolarHBondContact O-CB 3.47Å; K146-F150 PolarHBondContact O-N 3.31Å; H147-F150 WeakPolarHBondContact O-CB 3.36Å; H147-F150 PolarHBondContact O-N 2.91Å; L148-F150 VanDerWaalsContact C-N 3.32Å; L148-F150 PolarHBondContact O-N 3.37Å; F150-N152 VanDerWaalsContact C-N 3.29Å; F150-N152 PolarHBondContact O-N 3.1Å; F150-Q153 WeakPolarHBondContact O-CB 3.42Å; F150-Q153 PolarHBondContact O-N 2.86Å; F150-L154 HydrophobicContact CZ-CD1 4.43Å; F150-L154 PolarHBondContact O-N 3.24Å |
| 151 | M | 86.6 | Confident | 81 | Confident | 95 Ų | 95 | 116.9 Ų | 116.9 | 47% | 0.468 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.2 | -37.6 | 176.4 | -72.2 | -64.6 | -73.3 | 0 | 0 | 112.2 | H147 L148 L154 K155 | H147-M151 WeakPolarHBondContact O-CG 3.21Å; H147-M151 PolarHBondContact O-N 3.38Å; L148-M151 PolarHBondContact O-N 3.45Å; M151-L154 PolarHBondContact O-N 2.91Å; M151-K155 WeakPolarHBondContact O-CB 3.47Å; M151-K155 PolarHBondContact O-N 3.29Å |
| 152 | N | 85.1 | Confident | 78.4 | Confident | 95 Ų | 95 | 117.3 Ų | 117.3 | 51% | 0.508 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -70 | -36.2 | 176.7 | -160.8 | -3.2 | 0 | 0 | 0 | 111.9 | L148 E149 F150 K155 K156 | L148-N152 WeakPolarHBondContact O-CB 3.34Å; L148-N152 PolarHBondContact O-N 2.94Å; E149-N152 PolarHBondContact O-N 2.89Å; F150-N152 VanDerWaalsContact C-N 3.29Å; F150-N152 PolarHBondContact O-N 3.1Å; N152-K155 PolarHBondContact O-N 2.73Å; N152-K156 WeakPolarHBondContact O-CG 3.44Å; N152-K156 PolarHBondContact O-N 2.76Å; N152-K156 VanDerWaalsContact O-N 3.15Å |
| 153 | Q | 84.2 | Confident | 76 | Confident | 113 Ų | 113 | 117.6 Ų | 117.6 | 53% | 0.528 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.4 | -44.3 | 170.8 | -72.5 | 173.4 | 14.1 | 0 | 0 | 111.3 | E149 F150 K155 K156 Y157 | E149-Q153 WeakPolarHBondContact O-CG 3.09Å; E149-Q153 PolarHBondContact O-N 3.13Å; F150-Q153 WeakPolarHBondContact O-CB 3.42Å; F150-Q153 PolarHBondContact O-N 2.86Å; Q153-K155 VanDerWaalsContact C-N 3.33Å; Q153-K155 PolarHBondContact O-N 3.47Å; Q153-K156 PolarHBondContact O-N 3.41Å; Q153-Y157 WeakPolarHBondContact O-CD2 3.32Å; Q153-Y157 PolarHBondContact O-N 2.96Å |
| 154 | L | 79.6 | Confident | 73.4 | Confident | 86 Ų | 86 | 116.3 Ų | 116.3 | 45% | 0.45 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.2 | -43.5 | 177.6 | -152.1 | 76.5 | 0 | 0 | 0 | 111.6 | F150 M151 K156 Y157 D158 | F150-L154 HydrophobicContact CZ-CD1 4.43Å; F150-L154 PolarHBondContact O-N 3.24Å; M151-L154 PolarHBondContact O-N 2.91Å; L154-K156 VanDerWaalsContact C-N 3.33Å; L154-K156 PolarHBondContact O-N 2.88Å; L154-Y157 PolarHBondContact O-N 2.89Å; L154-Y157 VanDerWaalsContact O-N 3.13Å; L154-D158 PolarHBondContact O-N 3.24Å; L154-D158 VanDerWaalsContact O-N 3.09Å |
| 155 | K | 77.6 | Confident | 70.8 | Confident | 135 Ų | 135 | 118.6 Ų | 118.6 | 59% | 0.587 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -61.7 | -37.8 | 177.4 | -166.7 | 175.6 | -178.1 | -178.4 | 0 | 113.1 | M151 N152 Q153 Y157 D158 D159 | M151-K155 WeakPolarHBondContact O-CB 3.47Å; M151-K155 PolarHBondContact O-N 3.29Å; N152-K155 PolarHBondContact O-N 2.73Å; Q153-K155 VanDerWaalsContact C-N 3.33Å; Q153-K155 PolarHBondContact O-N 3.47Å; K155-Y157 VanDerWaalsContact C-N 3.3Å; K155-Y157 PolarHBondContact O-N 3.45Å; K155-D158 PolarHBondContact O-N 2.99Å; K155-D159 PolarHBondContact O-N 3.5Å |
| 156 | K | 70.8 | Confident | 68 | Low | 132 Ų | 132 | 119.3 Ų | 119.3 | 57% | 0.574 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63.1 | -35.3 | 174.4 | -75.5 | 179.7 | 178.3 | -175.9 | 0 | 112.8 | N152 Q153 L154 D160 | N152-K156 WeakPolarHBondContact O-CG 3.44Å; N152-K156 PolarHBondContact O-N 2.76Å; N152-K156 VanDerWaalsContact O-N 3.15Å; Q153-K156 PolarHBondContact O-N 3.41Å; L154-K156 VanDerWaalsContact C-N 3.33Å; L154-K156 PolarHBondContact O-N 2.88Å; K156-D160 PolarHBondContact O-N 2.95Å |
| 157 | Y | 67.2 | Low | 65.3 | Low | 160 Ų | 160 | 122.9 Ų | 122.9 | 63% | 0.627 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -74.4 | -31 | 175.6 | -71.9 | -72.3 | 0 | 0 | 0 | 112.6 | Q153 L154 K155 D160 I161 | Q153-Y157 WeakPolarHBondContact O-CD2 3.32Å; Q153-Y157 PolarHBondContact O-N 2.96Å; L154-Y157 PolarHBondContact O-N 2.89Å; L154-Y157 VanDerWaalsContact O-N 3.13Å; K155-Y157 VanDerWaalsContact C-N 3.3Å; K155-Y157 PolarHBondContact O-N 3.45Å; Y157-D160 PolarHBondContact O-N 3.3Å; Y157-I161 VanDerWaalsContact O-CD1 3.29Å; Y157-I161 WeakPolarHBondContact O-CD1 3.27Å; Y157-I161 VanDerWaalsContact O-CG1 3.31Å; Y157-I161 WeakPolarHBondContact O-CG1 3.34Å |
| 158 | D | 61.1 | Low | 62.6 | Low | 107 Ų | 107 | 124.4 Ų | 124.4 | 57% | 0.572 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68.8 | -35.2 | 172.6 | -84.4 | -18.8 | 0 | 0 | 0 | 112.4 | L154 K155 D160 I161 | L154-D158 PolarHBondContact O-N 3.24Å; L154-D158 VanDerWaalsContact O-N 3.09Å; K155-D158 PolarHBondContact O-N 2.99Å; D158-D160 VanDerWaalsContact C-N 3.29Å; D158-D160 PolarHBondContact O-N 3.28Å; D158-I161 PolarHBondContact O-N 3.45Å |
| 159 | D | 56 | Low | 59.8 | Low | 116 Ų | 116 | 125.6 Ų | 125.6 | 62% | 0.62 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -66.6 | -29.1 | 174.4 | -74.7 | -28.1 | 0 | 0 | 0 | 112.4 | K155 I161 | K155-D159 PolarHBondContact O-N 3.5Å; D159-I161 VanDerWaalsContact C-N 3.32Å; D159-I161 PolarHBondContact O-N 3.25Å |
| 160 | D | 52.3 | Low | 56.9 | Low | 138 Ų | 138 | 127.9 Ų | 127.9 | 74% | 0.738 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -2.5 | 178.1 | -77 | -27 | 0 | 0 | 0 | 113.8 | K156 Y157 D158 | K156-D160 PolarHBondContact O-N 2.95Å; Y157-D160 PolarHBondContact O-N 3.3Å; D158-D160 VanDerWaalsContact C-N 3.29Å; D158-D160 PolarHBondContact O-N 3.28Å |
| 161 | I | 50.7 | Low | 54.2 | Low | 123 Ų | 123 | 127.1 Ų | 127.1 | 63% | 0.631 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | -0.3 | -175 | -71.7 | 167.1 | 0 | 0 | 0 | 114.1 | Y157 D158 D159 P163 | Y157-I161 VanDerWaalsContact O-CD1 3.29Å; Y157-I161 WeakPolarHBondContact O-CD1 3.27Å; Y157-I161 VanDerWaalsContact O-CG1 3.31Å; Y157-I161 WeakPolarHBondContact O-CG1 3.34Å; D158-I161 PolarHBondContact O-N 3.45Å; D159-I161 VanDerWaalsContact C-N 3.32Å; D159-I161 PolarHBondContact O-N 3.25Å; I161-P163 WeakPolarHBondContact O-CD 3.47Å |
| 162 | S | 39.7 | Very low | 51.7 | Low | 108 Ų | 108 | 128.8 Ų | 128.8 | 76% | 0.755 | 69% | 0.686 | S | S | * | * | trans | -102.3 | 112.9 | 173.6 | -77.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 163 | P | 43.4 | Very low | 49.3 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | trans | -92.8 | 134.2 | 166.7 | 33.1 | -26.4 | 0 | 0 | 0 | 111.9 | I161 | I161-P163 WeakPolarHBondContact O-CD 3.47Š| ||
| 164 | S | 38.9 | Very low | 46.8 | Very low | 109 Ų | 109 | 137.2 Ų | 137.2 | 76% | 0.762 | 72% | 0.719 | S | S | * | * | trans | 73.9 | 141.9 | 151.5 | 79.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 165 | E | 38.5 | Very low | 45.2 | Very low | 166 Ų | 166 | 138.4 Ų | 138.4 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | cis | -157.3 | 156.5 | 21 | -69 | -179.3 | 145.2 | 0 | 0 | 111.1 | ||||
| 166 | D | 35.9 | Very low | 43.1 | Very low | 138 Ų | 138 | 140 Ų | 140 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | trans | 44.7 | 122.1 | 145.2 | -57.2 | -20.7 | 0 | 0 | 0 | 123 | ||||
| 167 | K | 37.7 | Very low | 41.1 | Very low | 204 Ų | 204 | 141.1 Ų | 141.1 | 89% | 0.887 | 76% | 0.758 | S | S | * | * | 170.4 | 134.9 | 99.7 | -93.8 | -173.5 | 179.4 | 173.3 | 0 | 113.7 | |||||
| 168 | D | 35.4 | Very low | 40.1 | Very low | 149 Ų | 149 | 139.5 Ų | 139.5 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | trans | -60.2 | 171.7 | 166.9 | -74.8 | -56.2 | 0 | 0 | 0 | 115.3 | ||||
| 169 | T | 32.7 | Very low | 38.5 | Very low | 144 Ų | 144 | 142.1 Ų | 142.1 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | 97.5 | 135.4 | 165.7 | 69 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 170 | D | 30.4 | Very low | 37.3 | Very low | 139 Ų | 139 | 145.8 Ų | 145.8 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | cis | -177.9 | 147.9 | -4.5 | 173.3 | 23.3 | 0 | 0 | 0 | 104.3 | ||||
| 171 | S | 34.8 | Very low | 36.4 | Very low | 101 Ų | 101 | 144.9 Ų | 144.9 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | 160.7 | 91.3 | 144.8 | -70.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 172 | T | 33 | Very low | 35.7 | Very low | 130 Ų | 130 | 145.9 Ų | 145.9 | 80% | 0.798 | 79% | 0.793 | S | S | * | * | trans | 61.5 | 121.4 | 130.7 | 57.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 173 | K | 35.6 | Very low | 35.3 | Very low | 198 Ų | 198 | 148 Ų | 148 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -57.7 | 147.1 | 168.4 | -57.8 | 167 | 175.5 | 172.9 | 0 | 113.8 | ||||
| 174 | E | 31.3 | Very low | 34.5 | Very low | 187 Ų | 187 | 150.2 Ų | 150.2 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | -178.8 | 158.4 | 97.5 | -98.6 | -169.8 | 169 | 0 | 0 | 113.1 | |||||
| 175 | P | 47 | Very low | 34 | Very low | 111 Ų | 111 | 151.7 Ų | 151.7 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | trans | -102.9 | 140.6 | -170.3 | 37.7 | -27.3 | 0 | 0 | 0 | 112.9 | ||||
| 176 | L | 33 | Very low | 33.7 | Very low | 169 Ų | 169 | 151.1 Ų | 151.1 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | trans | -159.9 | 102.5 | 172 | -139.7 | 73.6 | 0 | 0 | 0 | 108.7 | ||||
| 177 | D | 28.9 | Very low | 33.8 | Very low | 154 Ų | 154 | 149.4 Ų | 149.4 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | 84.8 | 137.7 | 80.6 | -142.5 | 12.5 | 0 | 0 | 0 | 114 | |||||
| 178 | D | 45.1 | Very low | 33.2 | Very low | 127 Ų | 127 | 143.5 Ų | 143.5 | 68% | 0.679 | 79% | 0.792 | S | S | * | * | trans | -69.5 | 112 | -164 | -166.9 | 16.5 | 0 | 0 | 0 | 112.9 | ||||
| 179 | L | 29.2 | Very low | 32.9 | Very low | 161 Ų | 161 | 145.6 Ų | 145.6 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | -149.4 | 95.7 | 166.5 | -75.1 | 177.4 | 0 | 0 | 0 | 110.5 | P181 | L179-P181 WeakPolarHBondContact O-CD 3.3Š| ||
| 180 | F | 30.3 | Very low | 32.7 | Very low | 194 Ų | 194 | 142.5 Ų | 142.5 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | trans | -76.6 | 127.2 | 153 | -81.9 | -90.4 | 0 | 0 | 0 | 109.5 | ||||
| 181 | P | 33.9 | Very low | 32.7 | Very low | 118 Ų | 118 | 143.9 Ų | 143.9 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | trans | -106.5 | 126.3 | 146.4 | -10 | 29.2 | 0 | 0 | 0 | 111 | L179 | L179-P181 WeakPolarHBondContact O-CD 3.3Š| ||
| 182 | N | 34.8 | Very low | 32.2 | Very low | 144 Ų | 144 | 148 Ų | 148 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | trans | -62.9 | 157.8 | 156.2 | -83.4 | -29.4 | 0 | 0 | 0 | 110.6 | ||||
| 183 | D | 30.6 | Very low | 32 | Very low | 152 Ų | 152 | 149.8 Ų | 149.8 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | 134.7 | 133.3 | 158.6 | -69.7 | -12.8 | 0 | 0 | 0 | 108.5 | ||||
| 184 | E | 27.2 | Very low | 31.6 | Very low | 160 Ų | 160 | 148 Ų | 148 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | cis | -164.8 | 177.4 | -11.7 | -93.5 | -149.7 | 126.7 | 0 | 0 | 105.3 | ||||
| 185 | D | 28.7 | Very low | 31.4 | Very low | 140 Ų | 140 | 146 Ų | 146 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | trans | 95.6 | 89.7 | 150.8 | -58 | -33.4 | 0 | 0 | 0 | 123.1 | ||||
| 186 | D | 31.6 | Very low | 30.5 | Very low | 153 Ų | 153 | 145.1 Ų | 145.1 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | 65.7 | 167.1 | 114.3 | -135.5 | 31.1 | 0 | 0 | 0 | 121.7 | |||||
| 187 | P | 38.2 | Very low | 30.5 | Very low | 102 Ų | 102 | 142.8 Ų | 142.8 | 66% | 0.662 | 79% | 0.786 | S | S | * | * | -126.9 | 140.2 | -99 | 40.2 | -21.7 | 0 | 0 | 0 | 113.9 | |||||
| 188 | G | 25.9 | Very low | 30.8 | Very low | 81 Ų | 81 | 138.7 Ų | 138.7 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | trans | -111.9 | 95.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 189 | Q | 29.1 | Very low | 30.1 | Very low | 192 Ų | 192 | 134.7 Ų | 134.7 | 90% | 0.897 | 76% | 0.758 | S | S | * | * | trans | 21.7 | 99.2 | 150.3 | -68 | 176 | -7.3 | 0 | 0 | 119 | ||||
| 190 | G | 28.2 | Very low | 30 | Very low | 80 Ų | 80 | 129.2 Ų | 129.2 | 83% | 0.825 | 74% | 0.736 | S | S | * | * | trans | -91.4 | 112.7 | 162 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 191 | I | 29.8 | Very low | 30 | Very low | 167 Ų | 167 | 123.4 Ų | 123.4 | 86% | 0.856 | 72% | 0.724 | S | S | * | * | trans | -71.5 | 124.7 | 176.1 | -70.7 | 168.9 | 0 | 0 | 0 | 110.4 | ||||
| 192 | Q | 25.8 | Very low | 30 | Very low | 187 Ų | 187 | 119.4 Ų | 119.4 | 87% | 0.874 | 70% | 0.701 | S | S | * | * | trans | -83.7 | 111.6 | -177 | -170.3 | 167.1 | 9.2 | 0 | 0 | 111 | ||||
| 193 | Q | 28.7 | Very low | 29.9 | Very low | 168 Ų | 168 | 119.5 Ų | 119.5 | 79% | 0.785 | 70% | 0.697 | S | S | * | * | trans | -87 | 122.4 | 170.4 | -110.3 | 173.9 | 11.8 | 0 | 0 | 110.8 | H195 | Q193-H195 PolarHBondContact O-N 2.92Š| ||
| 194 | Q | 27.1 | Very low | 30.1 | Very low | 160 Ų | 160 | 119.1 Ų | 119.1 | 75% | 0.748 | 69% | 0.69 | S | S | * | * | trans | -66.7 | 109.1 | 177.8 | -80.1 | 174.7 | -14.7 | 0 | 0 | 111.3 | ||||
| 195 | H | 27 | Very low | 30.6 | Very low | 147 Ų | 147 | 112 Ų | 112 | 68% | 0.681 | 66% | 0.659 | S | S | * | * | trans | -82.6 | 125.7 | 167.4 | -79.8 | -79.5 | 0 | 0 | 0 | 111.2 | Q193 | Q193-H195 PolarHBondContact O-N 2.92Š| ||
| 196 | S | 27.1 | Very low | 31.4 | Very low | 91 Ų | 91 | 107.6 Ų | 107.6 | 64% | 0.636 | 65% | 0.647 | S | S | * | * | trans | -59.3 | 132.4 | 170.6 | 47.1 | 0 | 0 | 0 | 0 | 111.3 | A198 A199 | S196-A198 PolarHBondContact O-N 3.11Å; S196-A199 PolarHBondContact O-N 3.39Å | ||
| 197 | S | 32.3 | Very low | 32.7 | Very low | 121 Ų | 121 | 102.7 Ų | 102.7 | 85% | 0.846 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 20.7 | -167.3 | 53.6 | 0 | 0 | 0 | 0 | 116.5 | ||
| 198 | A | 35.7 | Very low | 33.7 | Very low | 68 Ų | 68 | 106.6 Ų | 106.6 | 56% | 0.562 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.2 | -25.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S196 | S196-A198 PolarHBondContact O-N 3.11Š|
| 199 | A | 31.3 | Very low | 35.9 | Very low | 43 Ų | 43 | 104.2 Ų | 104.2 | 36% | 0.355 | 60% | 0.595 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.2 | -30.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S196 A201 A202 | S196-A199 PolarHBondContact O-N 3.39Å; A199-A201 PolarHBondContact O-N 3.47Å; A199-A202 PolarHBondContact O-N 3.14Å; A199-A202 VanDerWaalsContact O-N 3.12Å |
| 200 | A | 26.5 | Very low | 38.1 | Very low | 46 Ų | 46 | 96.7 Ų | 96.7 | 38% | 0.38 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.7 | -22.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A202 | A200-A202 VanDerWaalsContact C-N 3.32Å |
| 201 | A | 31.5 | Very low | 40.4 | Very low | 72 Ų | 72 | 96.8 Ų | 96.8 | 60% | 0.595 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -76.4 | -18.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A199 | A199-A201 PolarHBondContact O-N 3.47Å |
| 202 | A | 33 | Very low | 42.5 | Very low | 34 Ų | 34 | 95.8 Ų | 95.8 | 28% | 0.281 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -89.9 | -29.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | A199 A200 | A199-A202 PolarHBondContact O-N 3.14Å; A199-A202 VanDerWaalsContact O-N 3.12Å; A200-A202 VanDerWaalsContact C-N 3.32Å |
| 203 | Q | 31.8 | Very low | 45.1 | Very low | 146 Ų | 146 | 87.3 Ų | 87.3 | 68% | 0.682 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -82.1 | -28.8 | 179.8 | -81 | 179.1 | -35.7 | 0 | 0 | 114 | G205 | Q203-G205 VanDerWaalsContact C-N 3.29Å; Q203-G205 PolarHBondContact O-N 3.39Å |
| 204 | Q | 34.5 | Very low | 47.8 | Very low | 143 Ų | 143 | 85.4 Ų | 85.4 | 67% | 0.668 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -92.5 | 30.4 | -176.4 | -65.9 | -177.4 | -13.7 | 0 | 0 | 113.5 | ||
| 205 | G | 37.8 | Very low | 50.6 | Low | 10 Ų | 10 | 82.8 Ų | 82.8 | 10% | 0.103 | 48% | 0.482 | C | S | . | . | S | Bend | trans | -141.8 | 37.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q203 Y207 | Q203-G205 VanDerWaalsContact C-N 3.29Å; Q203-G205 PolarHBondContact O-N 3.39Å; G205-Y207 WeakPolarHBondContact O-CD2 3.17Å; G205-Y207 PolarHBondContact O-N 2.96Å |
| 206 | G | 45.8 | Very low | 53.3 | Low | 49 Ų | 49 | 77.2 Ų | 77.2 | 51% | 0.505 | 46% | 0.457 | S | S | . | . | S | Bend | trans | 52.9 | 22.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 207 | Y | 58.7 | Low | 56 | Low | 49 Ų | 49 | 73.6 Ų | 73.6 | 19% | 0.192 | 43% | 0.43 | C | S | . | . | trans | -112.2 | 95.3 | -177.5 | -80.8 | -61 | 0 | 0 | 0 | 108.3 | G205 I209 A298 T299 N302 | G205-Y207 WeakPolarHBondContact O-CD2 3.17Å; G205-Y207 PolarHBondContact O-N 2.96Å; Y207-I209 PolarHBondContact O-N 2.9Å; Y207-A298 HydrophobicContact CD2-CB 4.13Å; Y207-A298 HydrophobicContact CE1-CB 3.89Å; Y207-A298 HydrophobicContact CE2-CB 3.28Å; Y207-A298 WeakPolarHBondContact OH-CA 3.29Å; Y207-A298 WeakPolarHBondContact OH-CB 3.29Å; Y207-A298 PolarHBondContact OH-O 3.46Å; Y207-T299 PolarHBondContact OH-N 3.16Å; Y207-T299 VanDerWaalsContact OH-N 3.08Å; Y207-N302 PolarHBondContact OH-ND2 3.45Å | ||
| 208 | E | 59.1 | Low | 58.7 | Low | 185 Ų | 185 | 72.1 Ų | 72.1 | 86% | 0.864 | 41% | 0.413 | S | S | * | . | trans | -85.6 | 112.2 | 167.6 | -68.9 | -176.5 | -178 | 0 | 0 | 108.5 | P210 | E208-P210 WeakPolarHBondContact O-CD 3.4Š| ||
| 209 | I | 72.4 | Confident | 61.2 | Low | 31 Ų | 31 | 71.7 Ų | 71.7 | 16% | 0.159 | 40% | 0.401 | C | S | . | . | trans | -82 | 121.6 | 173.1 | -58.5 | 176.8 | 0 | 0 | 0 | 107.2 | Y207 L213 H217 T256 | Y207-I209 PolarHBondContact O-N 2.9Å; I209-L213 HydrophobicContact CG2-CB 4.03Å; I209-H217 HydrophobicContact CD1-CB 4.43Å; I209-H217 WeakPolarHBondContact CD1-CD2 3.42Å; I209-H217 VanDerWaalsContact CD1-CE1 3.46Å; I209-H217 WeakPolarHBondContact CD1-CE1 3.28Å; I209-H217 WeakPolarHBondContact CD1-NE2 3.5Å; I209-H217 HydrophobicContact CG2-CB 4.3Å; I209-T256 HydrophobicContact CG1-CG2 4.48Å; I209-T256 HydrophobicContact CG2-CG2 4.4Å | ||
| 210 | P | 76.1 | Confident | 63.9 | Low | 33 Ų | 33 | 69.7 Ų | 69.7 | 21% | 0.214 | 38% | 0.384 | C | S | . | . | trans | -51.9 | 142.6 | 179.5 | -26.3 | 32.9 | 0 | 0 | 0 | 111.9 | E208 R212 L213 R214 D253 | E208-P210 WeakPolarHBondContact O-CD 3.4Å; P210-R212 HydrophobicContact CB-CG 4.18Å; P210-R212 PolarHBondContact O-N 3.01Å; P210-R212 VanDerWaalsContact O-N 3.15Å; P210-L213 PolarHBondContact O-N 3.29Å; P210-R214 PolarHBondContact O-N 3.08Å; P210-R214 VanDerWaalsContact O-N 3.08Å; P210-D253 HydrophobicContact CG-CB 3.96Å; P210-D253 VanDerWaalsContact CG-OD1 3.25Å; P210-D253 WeakPolarHBondContact CG-OD1 3.46Å | ||
| 211 | A | 75.8 | Confident | 66.8 | Low | 82 Ų | 82 | 70.7 Ų | 70.7 | 68% | 0.678 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -53.4 | -40.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L213 R214 | A211-L213 PolarHBondContact O-N 3.03Å; A211-R214 WeakPolarHBondContact O-CB 3.37Å; A211-R214 PolarHBondContact O-N 3.28Å |
| 212 | R | 75.3 | Confident | 69.5 | Low | 146 Ų | 146 | 72.1 Ų | 72.1 | 55% | 0.551 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -61.5 | -27.2 | 176.2 | 64.6 | 173.3 | 171 | -115 | 11.5 | 114.5 | P210 H251 D253 | P210-R212 HydrophobicContact CB-CG 4.18Å; P210-R212 PolarHBondContact O-N 3.01Å; P210-R212 VanDerWaalsContact O-N 3.15Å; R212-H251 PolarHBondContact NH2-CE1 3.11Å; R212-D253 IonicContact CZ-OD1 3.77Å; R212-D253 IonicContact CZ-OD2 3.7Å; R212-D253 IonicContact NE-OD1 3.31Å; R212-D253 IonicContact NE-OD2 3.64Å; R212-D253 PolarHBondContact NE-OD2 2.91Å; R212-D253 IonicContact NH2-OD1 2.68Å; R212-D253 PolarHBondContact NH2-OD1 3.43Å; R212-D253 IonicContact NH2-OD2 3.13Å; R212-D253 PolarHBondContact NH2-OD2 2.97Å |
| 213 | L | 80.4 | Confident | 72.3 | Confident | 9 Ų | 9 | 73 Ų | 73 | 5% | 0.047 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -99.7 | -8.9 | 179.5 | -65.9 | -170.6 | 0 | 0 | 0 | 113.5 | I209 P210 A211 T215 L216 H217 L243 D253 T256 M257 | I209-L213 HydrophobicContact CG2-CB 4.03Å; P210-L213 PolarHBondContact O-N 3.29Å; A211-L213 PolarHBondContact O-N 3.03Å; L213-T215 PolarHBondContact O-N 3.31Å; L213-L216 HydrophobicContact CD2-CD2 4.35Å; L213-L216 PolarHBondContact O-N 3.27Å; L213-H217 WeakPolarHBondContact O-CB 3.44Å; L213-H217 PolarHBondContact O-N 3.31Å; L213-L243 HydrophobicContact CD1-CD1 4.17Å; L213-L243 HydrophobicContact CD2-CD1 3.98Å; L213-L243 HydrophobicContact CD2-CD2 4.39Å; L213-D253 HydrophobicContact CD1-CB 3.55Å; L213-T256 HydrophobicContact CD1-CG2 4.45Å; L213-M257 HydrophobicContact CD1-CG 3.73Å; L213-M257 HydrophobicContact CD1-SD 3.96Å; L213-M257 HydrophobicContact CD2-CG 4.27Å; L213-M257 HydrophobicContact CD2-SD 4.13Å |
| 214 | R | 83.5 | Confident | 74.9 | Confident | 128 Ų | 128 | 66.5 Ų | 66.5 | 48% | 0.483 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.7 | -46.5 | -176.8 | -167.7 | 97.7 | 70.6 | 89.7 | 3.9 | 111.8 | P210 A211 H217 N218 | P210-R214 PolarHBondContact O-N 3.08Å; P210-R214 VanDerWaalsContact O-N 3.08Å; A211-R214 WeakPolarHBondContact O-CB 3.37Å; A211-R214 PolarHBondContact O-N 3.28Å; R214-H217 PolarHBondContact O-N 3.41Å; R214-N218 WeakPolarHBondContact O-CB 3.48Å; R214-N218 PolarHBondContact O-N 3.2Å; R214-N218 PolarHBondContact O-ND2 2.97Å; R214-N218 PolarHBondContact O-OD1 3.4Å |
| 215 | T | 85.8 | Confident | 77.5 | Confident | 105 Ų | 105 | 64.2 Ų | 64.2 | 64% | 0.644 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.8 | -48.6 | -179.4 | 49.1 | 0 | 0 | 0 | 0 | 111.2 | L213 H217 N218 L219 | L213-T215 PolarHBondContact O-N 3.31Å; T215-H217 PolarHBondContact O-N 2.97Å; T215-N218 PolarHBondContact O-N 3.34Å; T215-L219 WeakPolarHBondContact O-CB 3.5Å; T215-L219 PolarHBondContact O-N 3.42Å |
| 216 | L | 85.8 | Confident | 79.9 | Confident | 30 Ų | 30 | 68.3 Ų | 68.3 | 16% | 0.157 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 175.6 | -177.8 | 69.7 | 0 | 0 | 0 | 111.7 | L213 N218 L219 V220 L235 A239 M257 | L213-L216 HydrophobicContact CD2-CD2 4.35Å; L213-L216 PolarHBondContact O-N 3.27Å; L216-N218 PolarHBondContact O-N 3.05Å; L216-L219 PolarHBondContact O-N 3.04Å; L216-V220 WeakPolarHBondContact O-CB 3.25Å; L216-V220 VanDerWaalsContact O-CG2 3.26Å; L216-V220 WeakPolarHBondContact O-CG2 3.24Å; L216-V220 PolarHBondContact O-N 3.36Å; L216-L235 HydrophobicContact CD1-CD1 3.82Å; L216-L235 HydrophobicContact CD1-CD2 3.89Å; L216-L235 HydrophobicContact CD1-CG 3.66Å; L216-A239 HydrophobicContact CD2-CB 3.24Å; L216-A239 HydrophobicContact CG-CB 4.46Å; L216-M257 HydrophobicContact CD2-CE 3.6Å; L216-M257 HydrophobicContact CD2-SD 3.81Å; L216-M257 HydrophobicContact CG-CE 4.39Å |
| 217 | H | 83.8 | Confident | 81.9 | Confident | 15 Ų | 15 | 67.7 Ų | 67.7 | 7% | 0.069 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.1 | -47.7 | 177.1 | 174.6 | 72.8 | 0 | 0 | 0 | 112 | I209 L213 R214 T215 L219 V220 I221 I260 | I209-H217 HydrophobicContact CD1-CB 4.43Å; I209-H217 WeakPolarHBondContact CD1-CD2 3.42Å; I209-H217 VanDerWaalsContact CD1-CE1 3.46Å; I209-H217 WeakPolarHBondContact CD1-CE1 3.28Å; I209-H217 WeakPolarHBondContact CD1-NE2 3.5Å; I209-H217 HydrophobicContact CG2-CB 4.3Å; L213-H217 WeakPolarHBondContact O-CB 3.44Å; L213-H217 PolarHBondContact O-N 3.31Å; R214-H217 PolarHBondContact O-N 3.41Å; T215-H217 PolarHBondContact O-N 2.97Å; H217-L219 VanDerWaalsContact C-N 3.33Å; H217-L219 PolarHBondContact O-N 3.39Å; H217-V220 PolarHBondContact O-N 2.94Å; H217-I221 WeakPolarHBondContact CE1-CD1 3.28Å; H217-I221 WeakPolarHBondContact NE2-CD1 3.46Å; H217-I221 WeakPolarHBondContact O-CG1 3.4Å; H217-I221 PolarHBondContact O-N 3.05Å; H217-I260 HydrophobicContact CB-CD1 3.94Å; H217-I260 WeakPolarHBondContact ND1-CD1 3.45Å; H217-I260 VanDerWaalsContact ND1-CG1 3.29Å; H217-I260 WeakPolarHBondContact ND1-CG1 3.45Å |
| 218 | N | 87.3 | Confident | 83.5 | Confident | 91 Ų | 91 | 69.8 Ų | 69.8 | 49% | 0.487 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.8 | -42.5 | 178.2 | -70.2 | -11 | 0 | 0 | 0 | 111.3 | R214 T215 L216 I221 Q222 | R214-N218 WeakPolarHBondContact O-CB 3.48Å; R214-N218 PolarHBondContact O-N 3.2Å; R214-N218 PolarHBondContact O-ND2 2.97Å; R214-N218 PolarHBondContact O-OD1 3.4Å; T215-N218 PolarHBondContact O-N 3.34Å; L216-N218 PolarHBondContact O-N 3.05Å; N218-I221 PolarHBondContact O-N 3.36Å; N218-Q222 WeakPolarHBondContact O-CB 3.25Å; N218-Q222 PolarHBondContact O-N 2.97Å |
| 219 | L | 89.1 | Confident | 85 | Confident | 59 Ų | 59 | 63.9 Ų | 63.9 | 31% | 0.309 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 178.2 | -172.3 | 61.5 | 0 | 0 | 0 | 111.8 | T215 L216 H217 Q222 Y223 L235 | T215-L219 WeakPolarHBondContact O-CB 3.5Å; T215-L219 PolarHBondContact O-N 3.42Å; L216-L219 PolarHBondContact O-N 3.04Å; H217-L219 VanDerWaalsContact C-N 3.33Å; H217-L219 PolarHBondContact O-N 3.39Å; L219-Q222 PolarHBondContact O-N 3.06Å; L219-Y223 HydrophobicContact CD1-CD2 4.16Å; L219-Y223 HydrophobicContact CD1-CE1 4.42Å; L219-Y223 HydrophobicContact CD1-CE2 3.5Å; L219-Y223 HydrophobicContact CD2-CE2 3.94Å; L219-Y223 HydrophobicContact CG-CD2 3.92Å; L219-Y223 HydrophobicContact CG-CE2 3.43Å; L219-Y223 VanDerWaalsContact CG-CE2 3.43Å; L219-Y223 VanDerWaalsContact O-CD2 3.29Å; L219-Y223 WeakPolarHBondContact O-CD2 3.44Å; L219-Y223 PolarHBondContact O-N 2.7Å; L219-L235 HydrophobicContact CD2-CD2 3.87Å; L219-L235 HydrophobicContact CG-CD2 4.15Å |
| 220 | V | 88.2 | Confident | 85.8 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 175.2 | 168.8 | 0 | 0 | 0 | 0 | 111.2 | L216 H217 Q222 Y223 A224 A232 L235 C236 I260 V264 | L216-V220 WeakPolarHBondContact O-CB 3.25Å; L216-V220 VanDerWaalsContact O-CG2 3.26Å; L216-V220 WeakPolarHBondContact O-CG2 3.24Å; L216-V220 PolarHBondContact O-N 3.36Å; H217-V220 PolarHBondContact O-N 2.94Å; V220-Q222 VanDerWaalsContact C-N 3.32Å; V220-Q222 PolarHBondContact O-N 3.01Å; V220-Y223 PolarHBondContact O-N 2.97Å; V220-A224 VanDerWaalsContact O-CB 3.27Å; V220-A224 WeakPolarHBondContact O-CB 3.35Å; V220-A224 PolarHBondContact O-N 2.91Å; V220-A232 HydrophobicContact CG1-CB 4.46Å; V220-L235 HydrophobicContact CG2-CD2 3.97Å; V220-L235 HydrophobicContact CG2-CG 4.4Å; V220-C236 WeakPolarHBondContact CG1-SG 3.37Å; V220-C236 WeakPolarHBondContact CG2-SG 3.04Å; V220-I260 HydrophobicContact CB-CG2 4.27Å; V220-I260 HydrophobicContact CG1-CG2 3.66Å; V220-V264 HydrophobicContact CG1-CG2 3.59Å |
| 221 | I | 86.6 | Confident | 86.5 | Confident | 67 Ų | 67 | 68.8 Ų | 68.8 | 34% | 0.344 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 175.8 | -73.4 | 179.6 | 0 | 0 | 0 | 110.6 | H217 N218 A224 S225 | H217-I221 WeakPolarHBondContact CE1-CD1 3.28Å; H217-I221 WeakPolarHBondContact NE2-CD1 3.46Å; H217-I221 WeakPolarHBondContact O-CG1 3.4Å; H217-I221 PolarHBondContact O-N 3.05Å; N218-I221 PolarHBondContact O-N 3.36Å; I221-A224 PolarHBondContact O-N 2.96Å; I221-S225 WeakPolarHBondContact O-CB 3.35Å; I221-S225 PolarHBondContact O-N 2.81Å; I221-S225 PolarHBondContact O-OG 2.76Å |
| 222 | Q | 89.3 | Confident | 87.2 | Confident | 103 Ų | 103 | 64.9 Ų | 64.9 | 48% | 0.481 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.8 | -50.7 | 179 | -174.4 | 177.8 | 5.7 | 0 | 0 | 110.7 | N218 L219 V220 A224 S225 Q226 | N218-Q222 WeakPolarHBondContact O-CB 3.25Å; N218-Q222 PolarHBondContact O-N 2.97Å; L219-Q222 PolarHBondContact O-N 3.06Å; V220-Q222 VanDerWaalsContact C-N 3.32Å; V220-Q222 PolarHBondContact O-N 3.01Å; Q222-A224 PolarHBondContact O-N 2.77Å; Q222-S225 PolarHBondContact O-N 3.07Å; Q222-S225 PolarHBondContact O-OG 3.35Å; Q222-Q226 WeakPolarHBondContact O-CG 3.49Å; Q222-Q226 PolarHBondContact O-N 2.94Å; Q222-Q226 VanDerWaalsContact O-N 3.1Å |
| 223 | Y | 90.4 | Very high | 88 | Confident | 53 Ų | 53 | 58.7 Ų | 58.7 | 21% | 0.208 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.6 | -40.3 | 177.1 | -68.9 | -42.3 | 0 | 0 | 0 | 112.9 | L219 V220 S225 Q226 G227 R228 V231 L235 | L219-Y223 HydrophobicContact CD1-CD2 4.16Å; L219-Y223 HydrophobicContact CD1-CE1 4.42Å; L219-Y223 HydrophobicContact CD1-CE2 3.5Å; L219-Y223 HydrophobicContact CD2-CE2 3.94Å; L219-Y223 HydrophobicContact CG-CD2 3.92Å; L219-Y223 HydrophobicContact CG-CE2 3.43Å; L219-Y223 VanDerWaalsContact CG-CE2 3.43Å; L219-Y223 VanDerWaalsContact O-CD2 3.29Å; L219-Y223 WeakPolarHBondContact O-CD2 3.44Å; L219-Y223 PolarHBondContact O-N 2.7Å; V220-Y223 PolarHBondContact O-N 2.97Å; Y223-S225 PolarHBondContact O-N 3.48Å; Y223-Q226 PolarHBondContact O-N 3.11Å; Y223-G227 PolarHBondContact O-N 3.49Å; Y223-R228 PolarHBondContact O-N 3.26Å; Y223-V231 HydrophobicContact CD2-CB 4.39Å; Y223-V231 HydrophobicContact CD2-CG1 3.8Å; Y223-V231 HydrophobicContact CE2-CG1 3.68Å; Y223-V231 HydrophobicContact CG-CB 4.47Å; Y223-V231 HydrophobicContact CG-CG1 4.31Å; Y223-L235 HydrophobicContact CD2-CD2 4.36Å; Y223-L235 HydrophobicContact CE2-CD2 4.31Å |
| 224 | A | 87.6 | Confident | 88.6 | Confident | 8 Ų | 8 | 61.8 Ų | 61.8 | 7% | 0.066 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V220 I221 Q222 Q226 G227 Y229 V264 | V220-A224 VanDerWaalsContact O-CB 3.27Å; V220-A224 WeakPolarHBondContact O-CB 3.35Å; V220-A224 PolarHBondContact O-N 2.91Å; I221-A224 PolarHBondContact O-N 2.96Å; Q222-A224 PolarHBondContact O-N 2.77Å; A224-Q226 VanDerWaalsContact C-N 3.27Å; A224-Q226 PolarHBondContact O-N 3.37Å; A224-G227 WeakPolarHBondContact O-CA 3.31Å; A224-G227 PolarHBondContact O-N 3.46Å; A224-Y229 HydrophobicContact CB-CE1 4.17Å; A224-V264 HydrophobicContact CB-CG2 4.28Å |
| 225 | S | 87.6 | Confident | 89 | Confident | 95 Ų | 95 | 58.1 Ų | 58.1 | 66% | 0.664 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -65.3 | -29.8 | 178.1 | 75.3 | 0 | 0 | 0 | 0 | 113.1 | I221 Q222 Y223 G227 | I221-S225 WeakPolarHBondContact O-CB 3.35Å; I221-S225 PolarHBondContact O-N 2.81Å; I221-S225 PolarHBondContact O-OG 2.76Å; Q222-S225 PolarHBondContact O-N 3.07Å; Q222-S225 PolarHBondContact O-OG 3.35Å; Y223-S225 PolarHBondContact O-N 3.48Å; S225-G227 PolarHBondContact O-N 3.45Å |
| 226 | Q | 90.2 | Very high | 89.3 | Confident | 97 Ų | 97 | 53.1 Ų | 53.1 | 45% | 0.453 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -4.5 | 173.3 | -67.2 | 172.2 | 7.5 | 0 | 0 | 112.8 | Q222 Y223 A224 R228 | Q222-Q226 WeakPolarHBondContact O-CG 3.49Å; Q222-Q226 PolarHBondContact O-N 2.94Å; Q222-Q226 VanDerWaalsContact O-N 3.1Å; Y223-Q226 PolarHBondContact O-N 3.11Å; A224-Q226 VanDerWaalsContact C-N 3.27Å; A224-Q226 PolarHBondContact O-N 3.37Å; Q226-R228 HydrophobicContact CB-CG 4.14Å; Q226-R228 PolarHBondContact O-N 2.83Å |
| 227 | G | 87.5 | Confident | 89.6 | Confident | 36 Ų | 36 | 56.4 Ų | 56.4 | 37% | 0.371 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 10.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y223 A224 S225 Y229 | Y223-G227 PolarHBondContact O-N 3.49Å; A224-G227 WeakPolarHBondContact O-CA 3.31Å; A224-G227 PolarHBondContact O-N 3.46Å; S225-G227 PolarHBondContact O-N 3.45Å; G227-Y229 VanDerWaalsContact O-CD2 3.31Å; G227-Y229 WeakPolarHBondContact O-CD2 3.45Å; G227-Y229 PolarHBondContact O-N 2.68Å |
| 228 | R | 91.8 | Very high | 90 | Very high | 92 Ų | 92 | 60.2 Ų | 60.2 | 35% | 0.347 | 31% | 0.311 | S | S | . | . | trans | -83.2 | 59.9 | 179.9 | -67.7 | -175.1 | 65.4 | -169.4 | -0.1 | 111.8 | Y223 Q226 E230 V231 A232 | Y223-R228 PolarHBondContact O-N 3.26Å; Q226-R228 HydrophobicContact CB-CG 4.14Å; Q226-R228 PolarHBondContact O-N 2.83Å; R228-E230 WeakPolarHBondContact CA-OE1 3.18Å; R228-E230 VanDerWaalsContact CA-OE2 3.28Å; R228-E230 WeakPolarHBondContact CA-OE2 3.4Å; R228-E230 VanDerWaalsContact CB-OE1 3.31Å; R228-E230 WeakPolarHBondContact CB-OE1 3.37Å; R228-E230 IonicContact NE-OE1 2.81Å; R228-E230 PolarHBondContact O-N 2.99Å; R228-V231 PolarHBondContact O-N 3.19Å; R228-A232 PolarHBondContact O-N 3.35Å; R228-A232 VanDerWaalsContact O-N 3.17Å | ||
| 229 | Y | 91.3 | Very high | 90.2 | Very high | 62 Ų | 62 | 56.5 Ų | 56.5 | 24% | 0.243 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.1 | -25.1 | -177.5 | -62.3 | -60.5 | 0 | 0 | 0 | 113.4 | A224 G227 V231 V233 V264 D267 Q268 | A224-Y229 HydrophobicContact CB-CE1 4.17Å; G227-Y229 VanDerWaalsContact O-CD2 3.31Å; G227-Y229 WeakPolarHBondContact O-CD2 3.45Å; G227-Y229 PolarHBondContact O-N 2.68Å; Y229-V231 PolarHBondContact O-N 3.07Å; Y229-V233 WeakPolarHBondContact O-CB 3.33Å; Y229-V233 WeakPolarHBondContact O-CG2 3.49Å; Y229-V233 PolarHBondContact O-N 3.45Å; Y229-V264 HydrophobicContact CD1-CG1 3.86Å; Y229-V264 HydrophobicContact CE1-CG1 4.38Å; Y229-D267 HydrophobicContact CE1-CB 4.16Å; Y229-D267 WeakPolarHBondContact OH-CB 3.48Å; Y229-Q268 HydrophobicContact CD1-CG 3.7Å; Y229-Q268 HydrophobicContact CD2-CG 3.74Å; Y229-Q268 HydrophobicContact CE1-CG 3.99Å; Y229-Q268 HydrophobicContact CE2-CG 4.03Å; Y229-Q268 HydrophobicContact CG-CG 3.55Å |
| 230 | E | 89.1 | Confident | 90.4 | Very high | 120 Ų | 120 | 54.3 Ų | 54.3 | 56% | 0.561 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -63.7 | -23.8 | 175.1 | 71.6 | -68.9 | 162.7 | 0 | 0 | 113.3 | R228 P234 | R228-E230 WeakPolarHBondContact CA-OE1 3.18Å; R228-E230 VanDerWaalsContact CA-OE2 3.28Å; R228-E230 WeakPolarHBondContact CA-OE2 3.4Å; R228-E230 VanDerWaalsContact CB-OE1 3.31Å; R228-E230 WeakPolarHBondContact CB-OE1 3.37Å; R228-E230 IonicContact NE-OE1 2.81Å; R228-E230 PolarHBondContact O-N 2.99Å; E230-P234 WeakPolarHBondContact O-CD 3.47Å; E230-P234 WeakPolarHBondContact O-CG 3.39Å |
| 231 | V | 90 | Very high | 90.6 | Very high | 46 Ų | 46 | 58.8 Ų | 58.8 | 28% | 0.279 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -98.3 | -43.6 | 174.4 | -176.6 | 0 | 0 | 0 | 0 | 110.9 | Y223 R228 Y229 V233 P234 L235 | Y223-V231 HydrophobicContact CD2-CB 4.39Å; Y223-V231 HydrophobicContact CD2-CG1 3.8Å; Y223-V231 HydrophobicContact CE2-CG1 3.68Å; Y223-V231 HydrophobicContact CG-CB 4.47Å; Y223-V231 HydrophobicContact CG-CG1 4.31Å; R228-V231 PolarHBondContact O-N 3.19Å; Y229-V231 PolarHBondContact O-N 3.07Å; V231-V233 PolarHBondContact O-N 3.49Å; V231-P234 WeakPolarHBondContact O-CD 3.47Å; V231-L235 VanDerWaalsContact O-CB 3.24Å; V231-L235 WeakPolarHBondContact O-CB 3.49Å; V231-L235 PolarHBondContact O-N 2.82Å |
| 232 | A | 90.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.6 | -41.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113 | V220 R228 C236 V264 | V220-A232 HydrophobicContact CG1-CB 4.46Å; R228-A232 PolarHBondContact O-N 3.35Å; R228-A232 VanDerWaalsContact O-N 3.17Å; A232-C236 PolarHBondContact O-N 3.42Å; A232-C236 PolarHBondContact O-SG 3.43Å; A232-V264 HydrophobicContact CB-CG1 4.24Å |
| 233 | V | 92.5 | Very high | 90.8 | Very high | 17 Ų | 17 | 54.7 Ų | 54.7 | 10% | 0.103 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70 | -51.1 | -176.8 | 171.8 | 0 | 0 | 0 | 0 | 112.3 | Y229 V231 L235 C236 K237 L261 V264 Y265 Q268 | Y229-V233 WeakPolarHBondContact O-CB 3.33Å; Y229-V233 WeakPolarHBondContact O-CG2 3.49Å; Y229-V233 PolarHBondContact O-N 3.45Å; V231-V233 PolarHBondContact O-N 3.49Å; V233-L235 VanDerWaalsContact C-N 3.29Å; V233-L235 PolarHBondContact O-N 3.26Å; V233-C236 PolarHBondContact O-N 3.18Å; V233-K237 HydrophobicContact CG1-CD 4.31Å; V233-K237 WeakPolarHBondContact O-CG 3.39Å; V233-K237 PolarHBondContact O-N 3.31Å; V233-L261 HydrophobicContact CG1-CD1 4.24Å; V233-L261 HydrophobicContact CG2-CD1 4.36Å; V233-V264 HydrophobicContact CG2-CG1 3.73Å; V233-Y265 HydrophobicContact CG1-CE1 3.86Å; V233-Y265 HydrophobicContact CG2-CD1 4.25Å; V233-Y265 HydrophobicContact CG2-CE1 3.8Å; V233-Q268 VanDerWaalsContact CG2-NE2 3.27Å |
| 234 | P | 93 | Very high | 90.9 | Very high | 74 Ų | 74 | 55.7 Ų | 55.7 | 48% | 0.481 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.5 | -39.7 | 176 | -26.8 | 37.4 | 0 | 0 | 0 | 112.7 | E230 V231 C236 K237 Q238 | E230-P234 WeakPolarHBondContact O-CD 3.47Å; E230-P234 WeakPolarHBondContact O-CG 3.39Å; V231-P234 WeakPolarHBondContact O-CD 3.47Å; P234-C236 PolarHBondContact O-N 3.22Å; P234-K237 PolarHBondContact O-N 3.15Å; P234-Q238 WeakPolarHBondContact O-CB 3.49Å; P234-Q238 PolarHBondContact O-N 3.01Å |
| 235 | L | 91.5 | Very high | 91.1 | Very high | 51 Ų | 51 | 62.7 Ų | 62.7 | 27% | 0.267 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.4 | -44 | 177.3 | -177.5 | 65.4 | 0 | 0 | 0 | 112 | L216 L219 V220 Y223 V231 V233 A239 | L216-L235 HydrophobicContact CD1-CD1 3.82Å; L216-L235 HydrophobicContact CD1-CD2 3.89Å; L216-L235 HydrophobicContact CD1-CG 3.66Å; L219-L235 HydrophobicContact CD2-CD2 3.87Å; L219-L235 HydrophobicContact CG-CD2 4.15Å; V220-L235 HydrophobicContact CG2-CD2 3.97Å; V220-L235 HydrophobicContact CG2-CG 4.4Å; Y223-L235 HydrophobicContact CD2-CD2 4.36Å; Y223-L235 HydrophobicContact CE2-CD2 4.31Å; V231-L235 VanDerWaalsContact O-CB 3.24Å; V231-L235 WeakPolarHBondContact O-CB 3.49Å; V231-L235 PolarHBondContact O-N 2.82Å; V233-L235 VanDerWaalsContact C-N 3.29Å; V233-L235 PolarHBondContact O-N 3.26Å; L235-A239 WeakPolarHBondContact O-CB 3.24Å; L235-A239 PolarHBondContact O-N 3.1Å; L235-A239 VanDerWaalsContact O-N 3.1Å |
| 236 | C | 91.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 174.7 | -71.3 | 0 | 0 | 0 | 0 | 112.7 | V220 A232 V233 P234 L240 M257 L261 | V220-C236 WeakPolarHBondContact CG1-SG 3.37Å; V220-C236 WeakPolarHBondContact CG2-SG 3.04Å; A232-C236 PolarHBondContact O-N 3.42Å; A232-C236 PolarHBondContact O-SG 3.43Å; V233-C236 PolarHBondContact O-N 3.18Å; P234-C236 PolarHBondContact O-N 3.22Å; C236-L240 WeakPolarHBondContact O-CB 3.47Å; C236-L240 WeakPolarHBondContact O-CG 3.18Å; C236-L240 PolarHBondContact O-N 3.01Å; C236-M257 HydrophobicContact CB-CE 4.41Å; C236-L261 HydrophobicContact CB-CB 4.15Å; C236-L261 HydrophobicContact CB-CD1 3.82Å; C236-L261 HydrophobicContact CB-CG 4.38Å |
| 237 | K | 93.1 | Very high | 90.9 | Very high | 98 Ų | 98 | 61.1 Ų | 61.1 | 43% | 0.426 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.6 | -45.7 | 179.8 | -74.5 | -175.5 | 174.7 | -170.3 | 0 | 111.6 | V233 P234 A239 L240 E241 L261 Y265 | V233-K237 HydrophobicContact CG1-CD 4.31Å; V233-K237 WeakPolarHBondContact O-CG 3.39Å; V233-K237 PolarHBondContact O-N 3.31Å; P234-K237 PolarHBondContact O-N 3.15Å; K237-A239 VanDerWaalsContact C-N 3.34Å; K237-A239 PolarHBondContact O-N 3.42Å; K237-L240 WeakPolarHBondContact O-CB 3.38Å; K237-L240 PolarHBondContact O-N 3.46Å; K237-E241 WeakPolarHBondContact O-CG 3.5Å; K237-E241 PolarHBondContact O-N 3.11Å; K237-L261 HydrophobicContact CG-CD2 4.32Å; K237-Y265 VanDerWaalsContact CE-OH 3.3Å; K237-Y265 WeakPolarHBondContact CE-OH 3.45Å |
| 238 | Q | 92.3 | Very high | 91 | Very high | 95 Ų | 95 | 60.8 Ų | 60.8 | 44% | 0.444 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58 | -48.4 | 176 | -176.7 | 59.7 | 47.4 | 0 | 0 | 111 | P234 L240 E241 D242 | P234-Q238 WeakPolarHBondContact O-CB 3.49Å; P234-Q238 PolarHBondContact O-N 3.01Å; Q238-L240 VanDerWaalsContact C-N 3.3Å; Q238-L240 PolarHBondContact O-N 3.05Å; Q238-E241 PolarHBondContact O-N 3.37Å; Q238-D242 PolarHBondContact NE2-OD1 3.44Å; Q238-D242 VanDerWaalsContact NE2-OD1 3.12Å; Q238-D242 PolarHBondContact NE2-OD2 3.48Å; Q238-D242 VanDerWaalsContact NE2-OD2 3.14Å; Q238-D242 VanDerWaalsContact O-CG 3.29Å; Q238-D242 PolarHBondContact O-N 3.31Å |
| 239 | A | 91.2 | Very high | 91 | Very high | 14 Ų | 14 | 60 Ų | 60 | 12% | 0.116 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.8 | -33.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L216 L235 K237 L243 M257 | L216-A239 HydrophobicContact CD2-CB 3.24Å; L216-A239 HydrophobicContact CG-CB 4.46Å; L235-A239 WeakPolarHBondContact O-CB 3.24Å; L235-A239 PolarHBondContact O-N 3.1Å; L235-A239 VanDerWaalsContact O-N 3.1Å; K237-A239 VanDerWaalsContact C-N 3.34Å; K237-A239 PolarHBondContact O-N 3.42Å; A239-L243 WeakPolarHBondContact O-CB 3.25Å; A239-L243 VanDerWaalsContact O-CG 3.24Å; A239-L243 WeakPolarHBondContact O-CG 3.36Å; A239-L243 PolarHBondContact O-N 3.07Å; A239-M257 HydrophobicContact CB-CE 3.97Å |
| 240 | L | 92.1 | Very high | 90.9 | Very high | 13 Ų | 13 | 60.7 Ų | 60.7 | 7% | 0.068 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.5 | -48 | 171.7 | -83.4 | 165.5 | 0 | 0 | 0 | 111.2 | C236 K237 Q238 D242 L243 E244 V254 M257 L258 L261 | C236-L240 WeakPolarHBondContact O-CB 3.47Å; C236-L240 WeakPolarHBondContact O-CG 3.18Å; C236-L240 PolarHBondContact O-N 3.01Å; K237-L240 WeakPolarHBondContact O-CB 3.38Å; K237-L240 PolarHBondContact O-N 3.46Å; Q238-L240 VanDerWaalsContact C-N 3.3Å; Q238-L240 PolarHBondContact O-N 3.05Å; L240-D242 VanDerWaalsContact C-N 3.3Å; L240-D242 PolarHBondContact O-N 2.95Å; L240-L243 PolarHBondContact O-N 2.92Å; L240-E244 WeakPolarHBondContact O-CB 3.45Å; L240-E244 VanDerWaalsContact O-CG 3.32Å; L240-E244 WeakPolarHBondContact O-CG 3.39Å; L240-E244 PolarHBondContact O-N 3.37Å; L240-V254 HydrophobicContact CD2-CG1 3.96Å; L240-M257 HydrophobicContact CD2-CB 3.41Å; L240-M257 VanDerWaalsContact CD2-CB 3.41Å; L240-M257 HydrophobicContact CG-CB 3.8Å; L240-L258 HydrophobicContact CD1-CD2 3.96Å; L240-L258 HydrophobicContact CD2-CD2 4.02Å; L240-L258 HydrophobicContact CD2-CG 3.86Å; L240-L261 HydrophobicContact CD1-CD2 3.78Å |
| 241 | E | 92.3 | Very high | 90.9 | Very high | 93 Ų | 93 | 57.4 Ų | 57.4 | 44% | 0.435 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.1 | -40.2 | 177.7 | -70.2 | 174.7 | -155.6 | 0 | 0 | 112.1 | K237 Q238 E244 K245 | K237-E241 WeakPolarHBondContact O-CG 3.5Å; K237-E241 PolarHBondContact O-N 3.11Å; Q238-E241 PolarHBondContact O-N 3.37Å; E241-E244 PolarHBondContact O-N 3.33Å; E241-K245 WeakPolarHBondContact O-CB 3.43Å; E241-K245 VanDerWaalsContact O-CG 3.27Å; E241-K245 WeakPolarHBondContact O-CG 3.47Å; E241-K245 PolarHBondContact O-N 3.44Å |
| 242 | D | 90.8 | Very high | 90.8 | Very high | 70 Ų | 70 | 57.2 Ų | 57.2 | 37% | 0.374 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -70.2 | -37.8 | 178.5 | -64.8 | -26.4 | 0 | 0 | 0 | 111.9 | Q238 L240 T246 | Q238-D242 PolarHBondContact NE2-OD1 3.44Å; Q238-D242 VanDerWaalsContact NE2-OD1 3.12Å; Q238-D242 PolarHBondContact NE2-OD2 3.48Å; Q238-D242 VanDerWaalsContact NE2-OD2 3.14Å; Q238-D242 VanDerWaalsContact O-CG 3.29Å; Q238-D242 PolarHBondContact O-N 3.31Å; L240-D242 VanDerWaalsContact C-N 3.3Å; L240-D242 PolarHBondContact O-N 2.95Å; D242-T246 WeakPolarHBondContact O-CB 3.5Å; D242-T246 VanDerWaalsContact O-CG2 3.31Å; D242-T246 WeakPolarHBondContact O-CG2 3.47Å; D242-T246 PolarHBondContact O-N 3.21Å; D242-T246 VanDerWaalsContact O-N 3.1Å; D242-T246 PolarHBondContact O-OG1 2.7Å |
| 243 | L | 89.9 | Confident | 90.6 | Very high | 14 Ų | 14 | 57.8 Ų | 57.8 | 7% | 0.073 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.3 | -40.6 | 173.1 | -75.3 | 171.2 | 0 | 0 | 0 | 112.3 | L213 A239 L240 K245 T246 S247 V254 M257 | L213-L243 HydrophobicContact CD1-CD1 4.17Å; L213-L243 HydrophobicContact CD2-CD1 3.98Å; L213-L243 HydrophobicContact CD2-CD2 4.39Å; A239-L243 WeakPolarHBondContact O-CB 3.25Å; A239-L243 VanDerWaalsContact O-CG 3.24Å; A239-L243 WeakPolarHBondContact O-CG 3.36Å; A239-L243 PolarHBondContact O-N 3.07Å; L240-L243 PolarHBondContact O-N 2.92Å; L243-K245 VanDerWaalsContact C-N 3.34Å; L243-T246 WeakPolarHBondContact CA-OG1 3.45Å; L243-T246 PolarHBondContact O-N 3.13Å; L243-T246 PolarHBondContact O-OG1 3.45Å; L243-S247 WeakPolarHBondContact O-CB 3.43Å; L243-S247 PolarHBondContact O-N 2.95Å; L243-V254 HydrophobicContact CB-CG2 4.03Å; L243-M257 HydrophobicContact CD1-CB 4.13Å; L243-M257 HydrophobicContact CD1-CG 3.33Å |
| 244 | E | 92.1 | Very high | 90.6 | Very high | 74 Ų | 74 | 57 Ų | 57 | 35% | 0.346 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.1 | -38.7 | 177.4 | -75.2 | -177.4 | 174.4 | 0 | 0 | 111.7 | L240 E241 G248 H249 V254 | L240-E244 WeakPolarHBondContact O-CB 3.45Å; L240-E244 VanDerWaalsContact O-CG 3.32Å; L240-E244 WeakPolarHBondContact O-CG 3.39Å; L240-E244 PolarHBondContact O-N 3.37Å; E241-E244 PolarHBondContact O-N 3.33Å; E244-G248 VanDerWaalsContact O-CA 3.22Å; E244-G248 WeakPolarHBondContact O-CA 3.36Å; E244-G248 PolarHBondContact O-N 3.21Å; E244-H249 HydrophobicContact CG-CB 4.38Å; E244-H249 IonicContact OE1-CE1 3.14Å; E244-H249 IonicContact OE1-CG 2.7Å; E244-H249 IonicContact OE1-ND1 3.57Å; E244-H249 PolarHBondContact OE1-ND1 3.03Å; E244-V254 HydrophobicContact CG-CG1 4.18Å; E244-V254 HydrophobicContact CG-CG2 4.04Å |
| 245 | K | 91.4 | Very high | 90.5 | Very high | 155 Ų | 155 | 53.5 Ų | 53.5 | 67% | 0.674 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -66.6 | -38.7 | 175 | -75 | 170.2 | -171.1 | 163 | 0 | 113.1 | E241 L243 | E241-K245 WeakPolarHBondContact O-CB 3.43Å; E241-K245 VanDerWaalsContact O-CG 3.27Å; E241-K245 WeakPolarHBondContact O-CG 3.47Å; E241-K245 PolarHBondContact O-N 3.44Å; L243-K245 VanDerWaalsContact C-N 3.34Å |
| 246 | T | 88.9 | Confident | 90.4 | Very high | 109 Ų | 109 | 51.9 Ų | 51.9 | 67% | 0.669 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -86.1 | -41.6 | -173.8 | 50.8 | 0 | 0 | 0 | 0 | 113.2 | D242 L243 | D242-T246 WeakPolarHBondContact O-CB 3.5Å; D242-T246 VanDerWaalsContact O-CG2 3.31Å; D242-T246 WeakPolarHBondContact O-CG2 3.47Å; D242-T246 PolarHBondContact O-N 3.21Å; D242-T246 VanDerWaalsContact O-N 3.1Å; D242-T246 PolarHBondContact O-OG1 2.7Å; L243-T246 WeakPolarHBondContact CA-OG1 3.45Å; L243-T246 PolarHBondContact O-N 3.13Å; L243-T246 PolarHBondContact O-OG1 3.45Å |
| 247 | S | 86.1 | Confident | 90.3 | Very high | 50 Ų | 50 | 51.9 Ų | 51.9 | 35% | 0.35 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -117 | -10.6 | -168.7 | -50.5 | 0 | 0 | 0 | 0 | 113.5 | L243 | L243-S247 WeakPolarHBondContact O-CB 3.43Å; L243-S247 PolarHBondContact O-N 2.95Å |
| 248 | G | 89.6 | Confident | 90.3 | Very high | 30 Ų | 30 | 47.5 Ų | 47.5 | 31% | 0.309 | 25% | 0.254 | S | S | . | . | trans | 82.1 | 158.5 | -173 | 0 | 0 | 0 | 0 | 0 | 113.4 | E244 D250 H251 V254 | E244-G248 VanDerWaalsContact O-CA 3.22Å; E244-G248 WeakPolarHBondContact O-CA 3.36Å; E244-G248 PolarHBondContact O-N 3.21Å; G248-D250 PolarHBondContact O-N 3.07Å; G248-H251 WeakPolarHBondContact O-CB 3.48Å; G248-H251 PolarHBondContact O-N 3.25Å; G248-V254 WeakPolarHBondContact O-CG2 3.3Å | ||
| 249 | H | 90.7 | Very high | 90.2 | Very high | 74 Ų | 74 | 43.6 Ų | 43.6 | 34% | 0.343 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -34.2 | -174.4 | -179 | 77.8 | 0 | 0 | 0 | 113.7 | E244 H251 D280 I284 | E244-H249 HydrophobicContact CG-CB 4.38Å; E244-H249 IonicContact OE1-CE1 3.14Å; E244-H249 IonicContact OE1-CG 2.7Å; E244-H249 IonicContact OE1-ND1 3.57Å; E244-H249 PolarHBondContact OE1-ND1 3.03Å; H249-H251 PolarHBondContact O-N 3.38Å; H249-H251 VanDerWaalsContact O-N 3.1Å; H249-D280 IonicContact CE1-OD1 2.73Å; H249-D280 IonicContact CE1-OD2 2.62Å; H249-D280 PolarHBondContact CE1-OD2 2.92Å; H249-D280 VanDerWaalsContact CE1-OD2 3.29Å; H249-D280 IonicContact NE2-OD1 3.09Å; H249-D280 PolarHBondContact NE2-OD1 3.49Å; H249-D280 IonicContact NE2-OD2 3.04Å; H249-I284 VanDerWaalsContact O-CD1 3.28Å; H249-I284 WeakPolarHBondContact O-CD1 3.31Å |
| 250 | D | 90.5 | Very high | 90.2 | Very high | 78 Ų | 78 | 43.2 Ų | 43.2 | 42% | 0.417 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 17.5 | 179 | -80.3 | -37.6 | 0 | 0 | 0 | 113.2 | G248 K287 T288 | G248-D250 PolarHBondContact O-N 3.07Å; D250-K287 VanDerWaalsContact CG-NZ 3.34Å; D250-K287 IonicContact OD1-NZ 2.76Å; D250-K287 PolarHBondContact OD1-NZ 3.22Å; D250-K287 IonicContact OD2-NZ 2.73Å; D250-K287 PolarHBondContact OD2-NZ 3.41Å; D250-T288 WeakPolarHBondContact O-CG2 3.36Å |
| 251 | H | 88.3 | Confident | 90.2 | Very high | 51 Ų | 51 | 42.8 Ų | 42.8 | 24% | 0.236 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -85.4 | 140.4 | 179.4 | -169 | -87.4 | 0 | 0 | 0 | 112.1 | R212 G248 H249 D253 V254 A255 I284 | R212-H251 PolarHBondContact NH2-CE1 3.11Å; G248-H251 WeakPolarHBondContact O-CB 3.48Å; G248-H251 PolarHBondContact O-N 3.25Å; H249-H251 PolarHBondContact O-N 3.38Å; H249-H251 VanDerWaalsContact O-N 3.1Å; H251-D253 IonicContact CE1-OD1 2.83Å; H251-D253 PolarHBondContact CE1-OD1 3.26Å; H251-D253 VanDerWaalsContact CE1-OD1 3.31Å; H251-D253 IonicContact CE1-OD2 3.96Å; H251-D253 VanDerWaalsContact ND1-CA 3.33Å; H251-D253 WeakPolarHBondContact ND1-CA 3.39Å; H251-D253 PolarHBondContact ND1-N 3.45Å; H251-D253 IonicContact ND1-OD1 3.95Å; H251-D253 IonicContact ND1-OD2 3.72Å; H251-D253 PolarHBondContact O-N 3.29Å; H251-V254 HydrophobicContact CB-CG2 4.36Å; H251-V254 WeakPolarHBondContact O-CB 3.47Å; H251-V254 PolarHBondContact O-N 2.94Å; H251-A255 PolarHBondContact O-N 3.49Å; H251-I284 WeakPolarHBondContact O-CG2 3.46Å |
| 252 | P | 87.3 | Confident | 90.2 | Very high | 42 Ų | 42 | 38.5 Ų | 38.5 | 27% | 0.273 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -57.3 | -25.4 | 177.4 | 23.5 | -35.4 | 0 | 0 | 0 | 113.4 | A255 T256 | P252-A255 PolarHBondContact O-N 3.2Å; P252-T256 PolarHBondContact O-N 3.36Å; P252-T256 PolarHBondContact O-OG1 2.89Å |
| 253 | D | 87.8 | Confident | 90.1 | Very high | 12 Ų | 12 | 37.4 Ų | 37.4 | 6% | 0.064 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -45.2 | -59.6 | 165.4 | 78.9 | -101.2 | 0 | 0 | 0 | 114.4 | P210 R212 L213 H251 A255 T256 M257 | P210-D253 HydrophobicContact CG-CB 3.96Å; P210-D253 VanDerWaalsContact CG-OD1 3.25Å; P210-D253 WeakPolarHBondContact CG-OD1 3.46Å; R212-D253 IonicContact CZ-OD1 3.77Å; R212-D253 IonicContact CZ-OD2 3.7Å; R212-D253 IonicContact NE-OD1 3.31Å; R212-D253 IonicContact NE-OD2 3.64Å; R212-D253 PolarHBondContact NE-OD2 2.91Å; R212-D253 IonicContact NH2-OD1 2.68Å; R212-D253 PolarHBondContact NH2-OD1 3.43Å; R212-D253 IonicContact NH2-OD2 3.13Å; R212-D253 PolarHBondContact NH2-OD2 2.97Å; L213-D253 HydrophobicContact CD1-CB 3.55Å; H251-D253 IonicContact CE1-OD1 2.83Å; H251-D253 PolarHBondContact CE1-OD1 3.26Å; H251-D253 VanDerWaalsContact CE1-OD1 3.31Å; H251-D253 IonicContact CE1-OD2 3.96Å; H251-D253 VanDerWaalsContact ND1-CA 3.33Å; H251-D253 WeakPolarHBondContact ND1-CA 3.39Å; H251-D253 PolarHBondContact ND1-N 3.45Å; H251-D253 IonicContact ND1-OD1 3.95Å; H251-D253 IonicContact ND1-OD2 3.72Å; H251-D253 PolarHBondContact O-N 3.29Å; D253-A255 VanDerWaalsContact C-N 3.33Å; D253-A255 PolarHBondContact O-N 3.07Å; D253-T256 WeakPolarHBondContact O-CB 3.46Å; D253-T256 PolarHBondContact O-N 2.83Å; D253-T256 VanDerWaalsContact O-N 3.12Å; D253-M257 PolarHBondContact O-N 3.19Å |
| 254 | V | 90.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.1 | -44.2 | -177.7 | 177.6 | 0 | 0 | 0 | 0 | 109.2 | L240 L243 E244 G248 H251 T256 M257 L258 I284 | L240-V254 HydrophobicContact CD2-CG1 3.96Å; L243-V254 HydrophobicContact CB-CG2 4.03Å; E244-V254 HydrophobicContact CG-CG1 4.18Å; E244-V254 HydrophobicContact CG-CG2 4.04Å; G248-V254 WeakPolarHBondContact O-CG2 3.3Å; H251-V254 HydrophobicContact CB-CG2 4.36Å; H251-V254 WeakPolarHBondContact O-CB 3.47Å; H251-V254 PolarHBondContact O-N 2.94Å; V254-T256 VanDerWaalsContact C-N 3.26Å; V254-T256 PolarHBondContact O-N 3.17Å; V254-M257 PolarHBondContact O-N 3.19Å; V254-M257 VanDerWaalsContact O-N 3.17Å; V254-L258 HydrophobicContact CG1-CD1 3.93Å; V254-L258 HydrophobicContact CG1-CG 4.19Å; V254-L258 WeakPolarHBondContact O-CB 3.38Å; V254-L258 VanDerWaalsContact O-CG 3.27Å; V254-L258 WeakPolarHBondContact O-CG 3.17Å; V254-L258 PolarHBondContact O-N 3.08Å; V254-I284 HydrophobicContact CB-CD1 4.48Å; V254-I284 HydrophobicContact CG1-CD1 4.08Å |
| 255 | A | 91.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.2 | -35.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | H251 P252 D253 N259 A281 I284 R285 | H251-A255 PolarHBondContact O-N 3.49Å; P252-A255 PolarHBondContact O-N 3.2Å; D253-A255 VanDerWaalsContact C-N 3.33Å; D253-A255 PolarHBondContact O-N 3.07Å; A255-N259 WeakPolarHBondContact O-CB 3.31Å; A255-N259 PolarHBondContact O-N 3.2Å; A255-A281 HydrophobicContact CB-CB 4.2Å; A255-I284 HydrophobicContact CB-CB 4.01Å; A255-I284 HydrophobicContact CB-CD1 4.49Å; A255-I284 HydrophobicContact CB-CG2 3.84Å; A255-R285 HydrophobicContact CB-CG 3.81Å |
| 256 | T | 89.1 | Confident | 90.1 | Very high | 17 Ų | 17 | 31.2 Ų | 31.2 | 10% | 0.104 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.4 | -45.7 | 176.6 | -60 | 0 | 0 | 0 | 0 | 111 | I209 L213 P252 D253 V254 N259 I260 | I209-T256 HydrophobicContact CG1-CG2 4.48Å; I209-T256 HydrophobicContact CG2-CG2 4.4Å; L213-T256 HydrophobicContact CD1-CG2 4.45Å; P252-T256 PolarHBondContact O-N 3.36Å; P252-T256 PolarHBondContact O-OG1 2.89Å; D253-T256 WeakPolarHBondContact O-CB 3.46Å; D253-T256 PolarHBondContact O-N 2.83Å; D253-T256 VanDerWaalsContact O-N 3.12Å; V254-T256 VanDerWaalsContact C-N 3.26Å; V254-T256 PolarHBondContact O-N 3.17Å; T256-N259 PolarHBondContact O-N 2.88Å; T256-I260 HydrophobicContact CG2-CD1 4.23Å; T256-I260 VanDerWaalsContact O-CG1 3.3Å; T256-I260 WeakPolarHBondContact O-CG1 3.48Å; T256-I260 PolarHBondContact O-N 3.3Å |
| 257 | M | 90.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.4 | -38.7 | 176.2 | -76.3 | -52.9 | -58.7 | 0 | 0 | 113.4 | L213 L216 C236 A239 L240 L243 D253 V254 N259 I260 L261 | L213-M257 HydrophobicContact CD1-CG 3.73Å; L213-M257 HydrophobicContact CD1-SD 3.96Å; L213-M257 HydrophobicContact CD2-CG 4.27Å; L213-M257 HydrophobicContact CD2-SD 4.13Å; L216-M257 HydrophobicContact CD2-CE 3.6Å; L216-M257 HydrophobicContact CD2-SD 3.81Å; L216-M257 HydrophobicContact CG-CE 4.39Å; C236-M257 HydrophobicContact CB-CE 4.41Å; A239-M257 HydrophobicContact CB-CE 3.97Å; L240-M257 HydrophobicContact CD2-CB 3.41Å; L240-M257 VanDerWaalsContact CD2-CB 3.41Å; L240-M257 HydrophobicContact CG-CB 3.8Å; L243-M257 HydrophobicContact CD1-CB 4.13Å; L243-M257 HydrophobicContact CD1-CG 3.33Å; D253-M257 PolarHBondContact O-N 3.19Å; V254-M257 PolarHBondContact O-N 3.19Å; V254-M257 VanDerWaalsContact O-N 3.17Å; M257-N259 VanDerWaalsContact C-N 3.31Å; M257-N259 PolarHBondContact O-N 3.36Å; M257-I260 WeakPolarHBondContact O-CB 3.38Å; M257-I260 PolarHBondContact O-N 3.04Å; M257-I260 HydrophobicContact SD-CD1 3.76Å; M257-L261 PolarHBondContact O-N 3.11Å |
| 258 | L | 93.6 | Very high | 90.3 | Very high | 6 Ų | 6 | 28.9 Ų | 28.9 | 3% | 0.031 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.1 | -42.6 | 173.5 | -74.1 | 171.9 | 0 | 0 | 0 | 111.1 | L240 V254 I260 L261 A262 L277 D280 A281 I284 | L240-L258 HydrophobicContact CD1-CD2 3.96Å; L240-L258 HydrophobicContact CD2-CD2 4.02Å; L240-L258 HydrophobicContact CD2-CG 3.86Å; V254-L258 HydrophobicContact CG1-CD1 3.93Å; V254-L258 HydrophobicContact CG1-CG 4.19Å; V254-L258 WeakPolarHBondContact O-CB 3.38Å; V254-L258 VanDerWaalsContact O-CG 3.27Å; V254-L258 WeakPolarHBondContact O-CG 3.17Å; V254-L258 PolarHBondContact O-N 3.08Å; L258-I260 PolarHBondContact O-N 3.33Å; L258-L261 PolarHBondContact O-N 3.08Å; L258-A262 WeakPolarHBondContact O-CB 3.35Å; L258-A262 PolarHBondContact O-N 2.85Å; L258-L277 HydrophobicContact CD2-CD2 3.57Å; L258-D280 HydrophobicContact CD1-CB 4.16Å; L258-D280 WeakPolarHBondContact CD1-OD2 3.49Å; L258-A281 HydrophobicContact CB-CB 3.95Å; L258-A281 HydrophobicContact CD1-CB 4.36Å; L258-I284 HydrophobicContact CD1-CD1 3.71Å |
| 259 | N | 90.8 | Very high | 90.4 | Very high | 13 Ų | 13 | 32.5 Ų | 32.5 | 7% | 0.07 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.5 | -39.9 | 175.2 | -178.2 | 84.1 | 0 | 0 | 0 | 111.9 | A255 T256 M257 A262 L263 L278 N302 | A255-N259 WeakPolarHBondContact O-CB 3.31Å; A255-N259 PolarHBondContact O-N 3.2Å; T256-N259 PolarHBondContact O-N 2.88Å; M257-N259 VanDerWaalsContact C-N 3.31Å; M257-N259 PolarHBondContact O-N 3.36Å; N259-A262 PolarHBondContact O-N 2.86Å; N259-L263 WeakPolarHBondContact O-CG 3.42Å; N259-L263 PolarHBondContact O-N 3.34Å; N259-L263 VanDerWaalsContact O-N 3.13Å; N259-L278 HydrophobicContact CB-CD2 4.11Å; N259-L278 WeakPolarHBondContact OD1-CD2 3.17Å; N259-N302 PolarHBondContact OD1-ND2 2.84Å |
| 260 | I | 89.7 | Confident | 90.4 | Very high | 6 Ų | 6 | 33.5 Ų | 33.5 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.7 | -49.6 | 175.5 | -66.7 | 164.6 | 0 | 0 | 0 | 110.7 | H217 V220 T256 M257 L258 A262 L263 V264 | H217-I260 HydrophobicContact CB-CD1 3.94Å; H217-I260 WeakPolarHBondContact ND1-CD1 3.45Å; H217-I260 VanDerWaalsContact ND1-CG1 3.29Å; H217-I260 WeakPolarHBondContact ND1-CG1 3.45Å; V220-I260 HydrophobicContact CB-CG2 4.27Å; V220-I260 HydrophobicContact CG1-CG2 3.66Å; T256-I260 HydrophobicContact CG2-CD1 4.23Å; T256-I260 VanDerWaalsContact O-CG1 3.3Å; T256-I260 WeakPolarHBondContact O-CG1 3.48Å; T256-I260 PolarHBondContact O-N 3.3Å; M257-I260 WeakPolarHBondContact O-CB 3.38Å; M257-I260 PolarHBondContact O-N 3.04Å; M257-I260 HydrophobicContact SD-CD1 3.76Å; L258-I260 PolarHBondContact O-N 3.33Å; I260-A262 VanDerWaalsContact C-N 3.27Å; I260-A262 PolarHBondContact O-N 3.11Å; I260-L263 WeakPolarHBondContact O-CB 3.35Å; I260-L263 PolarHBondContact O-N 3.05Å; I260-L263 VanDerWaalsContact O-N 3.12Å; I260-V264 WeakPolarHBondContact O-CG2 3.33Å; I260-V264 PolarHBondContact O-N 3.46Å; I260-V264 VanDerWaalsContact O-N 3.15Å |
| 261 | L | 92.9 | Very high | 90.4 | Very high | 5 Ų | 5 | 32.2 Ų | 32.2 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.4 | -36.9 | 177.9 | 179.8 | 58.6 | 0 | 0 | 0 | 111.9 | V233 C236 K237 L240 M257 L258 L263 V264 Y265 L277 | V233-L261 HydrophobicContact CG1-CD1 4.24Å; V233-L261 HydrophobicContact CG2-CD1 4.36Å; C236-L261 HydrophobicContact CB-CB 4.15Å; C236-L261 HydrophobicContact CB-CD1 3.82Å; C236-L261 HydrophobicContact CB-CG 4.38Å; K237-L261 HydrophobicContact CG-CD2 4.32Å; L240-L261 HydrophobicContact CD1-CD2 3.78Å; M257-L261 PolarHBondContact O-N 3.11Å; L258-L261 PolarHBondContact O-N 3.08Å; L261-L263 VanDerWaalsContact C-N 3.33Å; L261-L263 PolarHBondContact O-N 2.99Å; L261-V264 WeakPolarHBondContact O-CB 3.47Å; L261-V264 PolarHBondContact O-N 3.06Å; L261-Y265 HydrophobicContact CD1-CE1 4.14Å; L261-Y265 HydrophobicContact CD1-CE2 4.18Å; L261-Y265 HydrophobicContact CD2-CE2 4.27Å; L261-Y265 HydrophobicContact CG-CD2 4.33Å; L261-Y265 HydrophobicContact CG-CE2 4.03Å; L261-Y265 PolarHBondContact O-N 3.27Å; L261-L277 HydrophobicContact CB-CD1 4.03Å; L261-L277 HydrophobicContact CD2-CD1 3.72Å; L261-L277 HydrophobicContact CD2-CD2 4.3Å; L261-L277 HydrophobicContact CG-CD1 3.55Å |
| 262 | A | 92 | Very high | 90.5 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 2% | 0.017 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.9 | -37 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L258 N259 I260 Y265 R266 A274 L277 L278 | L258-A262 WeakPolarHBondContact O-CB 3.35Å; L258-A262 PolarHBondContact O-N 2.85Å; N259-A262 PolarHBondContact O-N 2.86Å; I260-A262 VanDerWaalsContact C-N 3.27Å; I260-A262 PolarHBondContact O-N 3.11Å; A262-Y265 PolarHBondContact O-N 3.3Å; A262-R266 WeakPolarHBondContact O-CB 3.33Å; A262-R266 PolarHBondContact O-N 3.01Å; A262-A274 HydrophobicContact CB-CB 4.32Å; A262-A274 WeakPolarHBondContact O-CB 3.46Å; A262-L277 HydrophobicContact CB-CB 4.04Å; A262-L277 HydrophobicContact CB-CD1 4.34Å; A262-L278 HydrophobicContact CB-CD1 4.44Å; A262-L278 HydrophobicContact CB-CD2 3.72Å; A262-L278 HydrophobicContact CB-CG 3.63Å |
| 263 | L | 89 | Confident | 90.7 | Very high | 48 Ų | 48 | 38 Ų | 38 | 25% | 0.251 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.8 | -42.6 | 173.5 | -65.6 | 172.2 | 0 | 0 | 0 | 111.2 | N259 I260 L261 Y265 R266 D267 | N259-L263 WeakPolarHBondContact O-CG 3.42Å; N259-L263 PolarHBondContact O-N 3.34Å; N259-L263 VanDerWaalsContact O-N 3.13Å; I260-L263 WeakPolarHBondContact O-CB 3.35Å; I260-L263 PolarHBondContact O-N 3.05Å; I260-L263 VanDerWaalsContact O-N 3.12Å; L261-L263 VanDerWaalsContact C-N 3.33Å; L261-L263 PolarHBondContact O-N 2.99Å; L263-Y265 VanDerWaalsContact C-N 3.32Å; L263-Y265 PolarHBondContact O-N 3.26Å; L263-R266 VanDerWaalsContact CD2-NH1 3.29Å; L263-R266 WeakPolarHBondContact O-CB 3.45Å; L263-R266 PolarHBondContact O-N 3.49Å; L263-D267 VanDerWaalsContact O-CG 3.28Å; L263-D267 PolarHBondContact O-N 3.47Å |
| 264 | V | 91.3 | Very high | 91 | Very high | 5 Ų | 5 | 37.4 Ų | 37.4 | 3% | 0.03 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.7 | -40.1 | 175.9 | 178.9 | 0 | 0 | 0 | 0 | 111.4 | V220 A224 Y229 A232 V233 I260 L261 D267 Q268 | V220-V264 HydrophobicContact CG1-CG2 3.59Å; A224-V264 HydrophobicContact CB-CG2 4.28Å; Y229-V264 HydrophobicContact CD1-CG1 3.86Å; Y229-V264 HydrophobicContact CE1-CG1 4.38Å; A232-V264 HydrophobicContact CB-CG1 4.24Å; V233-V264 HydrophobicContact CG2-CG1 3.73Å; I260-V264 WeakPolarHBondContact O-CG2 3.33Å; I260-V264 PolarHBondContact O-N 3.46Å; I260-V264 VanDerWaalsContact O-N 3.15Å; L261-V264 WeakPolarHBondContact O-CB 3.47Å; L261-V264 PolarHBondContact O-N 3.06Å; V264-D267 PolarHBondContact O-N 2.85Å; V264-Q268 PolarHBondContact O-N 3.09Å; V264-Q268 PolarHBondContact O-NE2 3.15Å |
| 265 | Y | 92.9 | Very high | 91 | Very high | 23 Ų | 23 | 37.5 Ų | 37.5 | 9% | 0.09 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -71.6 | -33.6 | 174.5 | -76.5 | -19.5 | 0 | 0 | 0 | 113.8 | V233 K237 L261 A262 L263 D267 Q268 N269 K270 D273 L277 | V233-Y265 HydrophobicContact CG1-CE1 3.86Å; V233-Y265 HydrophobicContact CG2-CD1 4.25Å; V233-Y265 HydrophobicContact CG2-CE1 3.8Å; K237-Y265 VanDerWaalsContact CE-OH 3.3Å; K237-Y265 WeakPolarHBondContact CE-OH 3.45Å; L261-Y265 HydrophobicContact CD1-CE1 4.14Å; L261-Y265 HydrophobicContact CD1-CE2 4.18Å; L261-Y265 HydrophobicContact CD2-CE2 4.27Å; L261-Y265 HydrophobicContact CG-CD2 4.33Å; L261-Y265 HydrophobicContact CG-CE2 4.03Å; L261-Y265 PolarHBondContact O-N 3.27Å; A262-Y265 PolarHBondContact O-N 3.3Å; L263-Y265 VanDerWaalsContact C-N 3.32Å; L263-Y265 PolarHBondContact O-N 3.26Å; Y265-D267 VanDerWaalsContact C-N 3.3Å; Y265-D267 PolarHBondContact O-N 3.49Å; Y265-Q268 CarbonylContact O-C 3.56Å; Y265-Q268 PolarHBondContact O-N 3.33Å; Y265-N269 PolarHBondContact O-N 3.07Å; Y265-K270 HydrophobicContact CD1-CD 4.16Å; Y265-K270 HydrophobicContact CG-CB 4.46Å; Y265-K270 PolarHBondContact O-N 3.39Å; Y265-D273 HydrophobicContact CD2-CB 3.7Å; Y265-D273 HydrophobicContact CE2-CB 3.96Å; Y265-D273 HydrophobicContact CG-CB 4.42Å; Y265-L277 HydrophobicContact CD2-CD1 3.49Å; Y265-L277 VanDerWaalsContact CD2-CD1 3.49Å; Y265-L277 HydrophobicContact CE2-CD1 3.61Å |
| 266 | R | 89.7 | Confident | 91.1 | Very high | 84 Ų | 84 | 42.6 Ų | 42.6 | 32% | 0.317 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59 | -44.7 | 171.7 | -179.7 | -164 | 69.1 | -168.6 | -4.2 | 110.6 | A262 L263 Q268 N269 Y271 L306 | A262-R266 WeakPolarHBondContact O-CB 3.33Å; A262-R266 PolarHBondContact O-N 3.01Å; L263-R266 VanDerWaalsContact CD2-NH1 3.29Å; L263-R266 WeakPolarHBondContact O-CB 3.45Å; L263-R266 PolarHBondContact O-N 3.49Å; R266-Q268 PolarHBondContact O-N 3.17Å; R266-N269 WeakPolarHBondContact O-CA 3.29Å; R266-N269 PolarHBondContact O-N 3.46Å; R266-Y271 HydrophobicContact CG-CD1 4.48Å; R266-Y271 HydrophobicContact CG-CE1 4.08Å; R266-L306 HydrophobicContact CB-CD2 3.88Å; R266-L306 HydrophobicContact CG-CD2 3.62Å |
| 267 | D | 89 | Confident | 91.4 | Very high | 69 Ų | 69 | 43.3 Ų | 43.3 | 37% | 0.369 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -69.8 | -24.9 | -177.9 | -61.4 | -8.3 | 0 | 0 | 0 | 111.7 | Y229 L263 V264 Y265 N269 | Y229-D267 HydrophobicContact CE1-CB 4.16Å; Y229-D267 WeakPolarHBondContact OH-CB 3.48Å; L263-D267 VanDerWaalsContact O-CG 3.28Å; L263-D267 PolarHBondContact O-N 3.47Å; V264-D267 PolarHBondContact O-N 2.85Å; Y265-D267 VanDerWaalsContact C-N 3.3Å; Y265-D267 PolarHBondContact O-N 3.49Å; D267-N269 VanDerWaalsContact C-N 3.27Å; D267-N269 PolarHBondContact O-N 3.11Å |
| 268 | Q | 90.2 | Very high | 91.6 | Very high | 41 Ų | 41 | 43.5 Ų | 43.5 | 19% | 0.192 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 1.9 | 167.3 | -70.7 | 172.5 | 52.3 | 0 | 0 | 114.5 | Y229 V233 V264 Y265 R266 K270 | Y229-Q268 HydrophobicContact CD1-CG 3.7Å; Y229-Q268 HydrophobicContact CD2-CG 3.74Å; Y229-Q268 HydrophobicContact CE1-CG 3.99Å; Y229-Q268 HydrophobicContact CE2-CG 4.03Å; Y229-Q268 HydrophobicContact CG-CG 3.55Å; V233-Q268 VanDerWaalsContact CG2-NE2 3.27Å; V264-Q268 PolarHBondContact O-N 3.09Å; V264-Q268 PolarHBondContact O-NE2 3.15Å; Y265-Q268 CarbonylContact O-C 3.56Å; Y265-Q268 PolarHBondContact O-N 3.33Å; R266-Q268 PolarHBondContact O-N 3.17Å; Q268-K270 HydrophobicContact CB-CD 4.3Å; Q268-K270 HydrophobicContact CB-CG 4.19Å; Q268-K270 PolarHBondContact O-N 2.86Å |
| 269 | N | 90.2 | Very high | 91.6 | Very high | 107 Ų | 107 | 46.1 Ų | 46.1 | 57% | 0.572 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 18.3 | -171.5 | -57.6 | -74.2 | 0 | 0 | 0 | 114.9 | Y265 R266 D267 Y271 | Y265-N269 PolarHBondContact O-N 3.07Å; R266-N269 WeakPolarHBondContact O-CA 3.29Å; R266-N269 PolarHBondContact O-N 3.46Å; D267-N269 VanDerWaalsContact C-N 3.27Å; D267-N269 PolarHBondContact O-N 3.11Å; N269-Y271 HydrophobicContact CB-CD2 4.44Å; N269-Y271 HydrophobicContact CB-CE2 3.76Å; N269-Y271 WeakPolarHBondContact O-CD2 3.42Å; N269-Y271 PolarHBondContact O-N 3.33Å; N269-Y271 PolarHBondContact OD1-OH 3.03Å |
| 270 | K | 92.1 | Very high | 91.8 | Very high | 95 Ų | 95 | 48.2 Ų | 48.2 | 41% | 0.413 | 23% | 0.234 | S | C | . | . | trans | -83.5 | 62.1 | 173.9 | -68 | 177.5 | -179.5 | 163.7 | 0 | 110.8 | Y265 Q268 K272 D273 A274 | Y265-K270 HydrophobicContact CD1-CD 4.16Å; Y265-K270 HydrophobicContact CG-CB 4.46Å; Y265-K270 PolarHBondContact O-N 3.39Å; Q268-K270 HydrophobicContact CB-CD 4.3Å; Q268-K270 HydrophobicContact CB-CG 4.19Å; Q268-K270 PolarHBondContact O-N 2.86Å; K270-K272 VanDerWaalsContact C-N 3.27Å; K270-K272 PolarHBondContact O-N 3.42Å; K270-D273 PolarHBondContact O-N 2.98Å; K270-A274 PolarHBondContact O-N 3.3Å; K270-A274 VanDerWaalsContact O-N 3.08Å | ||
| 271 | Y | 90.5 | Very high | 92 | Very high | 51 Ų | 51 | 47.9 Ų | 47.9 | 20% | 0.2 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.3 | -23.8 | -171.5 | -59.1 | -70.3 | 0 | 0 | 0 | 114.9 | R266 N269 A275 L306 K309 R310 | R266-Y271 HydrophobicContact CG-CD1 4.48Å; R266-Y271 HydrophobicContact CG-CE1 4.08Å; N269-Y271 HydrophobicContact CB-CD2 4.44Å; N269-Y271 HydrophobicContact CB-CE2 3.76Å; N269-Y271 WeakPolarHBondContact O-CD2 3.42Å; N269-Y271 PolarHBondContact O-N 3.33Å; N269-Y271 PolarHBondContact OD1-OH 3.03Å; Y271-A275 WeakPolarHBondContact O-CB 3.42Å; Y271-A275 PolarHBondContact O-N 3.03Å; Y271-A275 VanDerWaalsContact O-N 3.17Å; Y271-L306 HydrophobicContact CD1-CD2 3.92Å; Y271-K309 HydrophobicContact CD1-CB 4.26Å; Y271-K309 HydrophobicContact CE1-CB 3.86Å; Y271-K309 HydrophobicContact CE1-CG 4.27Å; Y271-R310 HydrophobicContact CD2-CG 4.47Å; Y271-R310 HydrophobicContact CG-CG 4.14Å |
| 272 | K | 89.9 | Confident | 92.1 | Very high | 140 Ų | 140 | 48.4 Ų | 48.4 | 61% | 0.609 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -70.9 | -50.4 | 176.4 | -68.5 | -178.9 | -177.2 | 176.9 | 0 | 110.6 | K270 A275 N276 | K270-K272 VanDerWaalsContact C-N 3.27Å; K270-K272 PolarHBondContact O-N 3.42Å; K272-A275 PolarHBondContact O-N 2.86Å; K272-N276 PolarHBondContact O-N 3.1Å |
| 273 | D | 91.8 | Very high | 92.2 | Very high | 73 Ų | 73 | 50.3 Ų | 50.3 | 39% | 0.39 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.8 | -43 | -179.8 | -54.4 | -30.1 | 0 | 0 | 0 | 110.6 | Y265 K270 A275 N276 L277 | Y265-D273 HydrophobicContact CD2-CB 3.7Å; Y265-D273 HydrophobicContact CE2-CB 3.96Å; Y265-D273 HydrophobicContact CG-CB 4.42Å; K270-D273 PolarHBondContact O-N 2.98Å; D273-A275 VanDerWaalsContact C-N 3.31Å; D273-A275 PolarHBondContact O-N 3.26Å; D273-N276 PolarHBondContact O-N 3.41Å; D273-L277 WeakPolarHBondContact O-CG 3.43Å; D273-L277 PolarHBondContact O-N 2.94Å |
| 274 | A | 93.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59 | -40.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A262 K270 L278 L306 | A262-A274 HydrophobicContact CB-CB 4.32Å; A262-A274 WeakPolarHBondContact O-CB 3.46Å; K270-A274 PolarHBondContact O-N 3.3Å; K270-A274 VanDerWaalsContact O-N 3.08Å; A274-L278 WeakPolarHBondContact O-CG 3.33Å; A274-L278 PolarHBondContact O-N 3.37Å; A274-L306 HydrophobicContact CB-CD1 3.71Å; A274-L306 HydrophobicContact CB-CD2 4.18Å |
| 275 | A | 91.8 | Very high | 92.5 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 2% | 0.017 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.5 | -37.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y271 K272 D273 L278 N279 L306 Y307 | Y271-A275 WeakPolarHBondContact O-CB 3.42Å; Y271-A275 PolarHBondContact O-N 3.03Å; Y271-A275 VanDerWaalsContact O-N 3.17Å; K272-A275 PolarHBondContact O-N 2.86Å; D273-A275 VanDerWaalsContact C-N 3.31Å; D273-A275 PolarHBondContact O-N 3.26Å; A275-L278 PolarHBondContact O-N 2.94Å; A275-N279 PolarHBondContact O-N 2.97Å; A275-N279 PolarHBondContact O-ND2 3.43Å; A275-L306 HydrophobicContact CB-CD1 4.35Å; A275-Y307 HydrophobicContact CB-CE1 4.01Å |
| 276 | N | 93.5 | Very high | 92.5 | Very high | 108 Ų | 108 | 49.5 Ų | 49.5 | 58% | 0.578 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -63 | -47.3 | 176.2 | -67.3 | -12.2 | 0 | 0 | 0 | 110.8 | K272 D273 L278 N279 D280 | K272-N276 PolarHBondContact O-N 3.1Å; D273-N276 PolarHBondContact O-N 3.41Å; N276-L278 VanDerWaalsContact C-N 3.34Å; N276-L278 PolarHBondContact O-N 3.44Å; N276-N279 PolarHBondContact O-N 3.39Å; N276-D280 PolarHBondContact O-N 2.99Å |
| 277 | L | 94.8 | Very high | 92.7 | Very high | 31 Ų | 31 | 52.1 Ų | 52.1 | 16% | 0.162 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.5 | -39.5 | 177.8 | -66.7 | 174.8 | 0 | 0 | 0 | 112.9 | L258 L261 A262 Y265 D273 D280 A281 | L258-L277 HydrophobicContact CD2-CD2 3.57Å; L261-L277 HydrophobicContact CB-CD1 4.03Å; L261-L277 HydrophobicContact CD2-CD1 3.72Å; L261-L277 HydrophobicContact CD2-CD2 4.3Å; L261-L277 HydrophobicContact CG-CD1 3.55Å; A262-L277 HydrophobicContact CB-CB 4.04Å; A262-L277 HydrophobicContact CB-CD1 4.34Å; Y265-L277 HydrophobicContact CD2-CD1 3.49Å; Y265-L277 VanDerWaalsContact CD2-CD1 3.49Å; Y265-L277 HydrophobicContact CE2-CD1 3.61Å; D273-L277 WeakPolarHBondContact O-CG 3.43Å; D273-L277 PolarHBondContact O-N 2.94Å; L277-D280 PolarHBondContact O-N 2.96Å; L277-A281 WeakPolarHBondContact O-CB 3.24Å; L277-A281 PolarHBondContact O-N 3.18Å |
| 278 | L | 94.1 | Very high | 92.7 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -73.5 | -30.4 | 177.3 | -72.8 | -174.6 | 0 | 0 | 0 | 113.3 | N259 A262 A274 A275 N276 D280 L282 T299 N302 L303 L306 | N259-L278 HydrophobicContact CB-CD2 4.11Å; N259-L278 WeakPolarHBondContact OD1-CD2 3.17Å; A262-L278 HydrophobicContact CB-CD1 4.44Å; A262-L278 HydrophobicContact CB-CD2 3.72Å; A262-L278 HydrophobicContact CB-CG 3.63Å; A274-L278 WeakPolarHBondContact O-CG 3.33Å; A274-L278 PolarHBondContact O-N 3.37Å; A275-L278 PolarHBondContact O-N 2.94Å; N276-L278 VanDerWaalsContact C-N 3.34Å; N276-L278 PolarHBondContact O-N 3.44Å; L278-D280 VanDerWaalsContact C-N 3.31Å; L278-L282 VanDerWaalsContact O-CB 3.24Å; L278-L282 WeakPolarHBondContact O-CB 3.48Å; L278-L282 PolarHBondContact O-N 3.08Å; L278-T299 HydrophobicContact CD2-CG2 4.38Å; L278-T299 WeakPolarHBondContact O-CG2 3.41Å; L278-N302 HydrophobicContact CD1-CB 3.61Å; L278-L303 HydrophobicContact CB-CD1 4.27Å; L278-L303 HydrophobicContact CB-CD2 3.39Å; L278-L303 HydrophobicContact CB-CG 3.6Å; L278-L303 HydrophobicContact CD1-CD2 4.14Å; L278-L303 HydrophobicContact CD1-CG 4.06Å; L278-L303 HydrophobicContact CG-CD2 4.41Å; L278-L306 HydrophobicContact CD1-CD1 3.48Å; L278-L306 VanDerWaalsContact CD1-CD1 3.48Å; L278-L306 HydrophobicContact CD1-CG 4.3Å; L278-L306 HydrophobicContact CG-CD1 4.3Å |
| 279 | N | 94.4 | Very high | 92.6 | Very high | 62 Ų | 62 | 52.8 Ų | 52.8 | 33% | 0.332 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66 | -38.8 | 172 | -82.8 | -66.1 | 0 | 0 | 0 | 110.8 | A275 N276 L282 A283 | A275-N279 PolarHBondContact O-N 2.97Å; A275-N279 PolarHBondContact O-ND2 3.43Å; N276-N279 PolarHBondContact O-N 3.39Å; N279-L282 WeakPolarHBondContact O-CB 3.49Å; N279-L282 PolarHBondContact O-N 2.85Å; N279-A283 PolarHBondContact O-N 3.4Å |
| 280 | D | 94.5 | Very high | 92.6 | Very high | 56 Ų | 56 | 49.1 Ų | 49.1 | 30% | 0.299 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.6 | -49.3 | 175.1 | -164.8 | 26.5 | 0 | 0 | 0 | 111.5 | H249 L258 N276 L277 L278 L282 A283 I284 | H249-D280 IonicContact CE1-OD1 2.73Å; H249-D280 IonicContact CE1-OD2 2.62Å; H249-D280 PolarHBondContact CE1-OD2 2.92Å; H249-D280 VanDerWaalsContact CE1-OD2 3.29Å; H249-D280 IonicContact NE2-OD1 3.09Å; H249-D280 PolarHBondContact NE2-OD1 3.49Å; H249-D280 IonicContact NE2-OD2 3.04Å; L258-D280 HydrophobicContact CD1-CB 4.16Å; L258-D280 WeakPolarHBondContact CD1-OD2 3.49Å; N276-D280 PolarHBondContact O-N 2.99Å; L277-D280 PolarHBondContact O-N 2.96Å; L278-D280 VanDerWaalsContact C-N 3.31Å; D280-L282 PolarHBondContact O-N 3.32Å; D280-A283 WeakPolarHBondContact O-CB 3.23Å; D280-A283 PolarHBondContact O-N 3.27Å; D280-A283 VanDerWaalsContact O-N 3.08Å; D280-I284 WeakPolarHBondContact O-CG1 3.38Å; D280-I284 PolarHBondContact O-N 3.18Å |
| 281 | A | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.1 | -35.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A255 L258 L277 R285 T299 | A255-A281 HydrophobicContact CB-CB 4.2Å; L258-A281 HydrophobicContact CB-CB 3.95Å; L258-A281 HydrophobicContact CD1-CB 4.36Å; L277-A281 WeakPolarHBondContact O-CB 3.24Å; L277-A281 PolarHBondContact O-N 3.18Å; A281-R285 WeakPolarHBondContact O-CB 3.45Å; A281-R285 VanDerWaalsContact O-CG 3.25Å; A281-R285 WeakPolarHBondContact O-CG 3.41Å; A281-R285 PolarHBondContact O-N 3.04Å; A281-T299 HydrophobicContact CB-CG2 4.5Å |
| 282 | L | 94 | Very high | 92.4 | Very high | 15 Ų | 15 | 52.9 Ų | 52.9 | 8% | 0.079 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.7 | -46.5 | 175.4 | -179.9 | 69.1 | 0 | 0 | 0 | 110.8 | L278 N279 D280 I284 R285 E286 V296 T299 L300 L303 | L278-L282 VanDerWaalsContact O-CB 3.24Å; L278-L282 WeakPolarHBondContact O-CB 3.48Å; L278-L282 PolarHBondContact O-N 3.08Å; N279-L282 WeakPolarHBondContact O-CB 3.49Å; N279-L282 PolarHBondContact O-N 2.85Å; D280-L282 PolarHBondContact O-N 3.32Å; L282-I284 VanDerWaalsContact C-N 3.34Å; L282-I284 PolarHBondContact O-N 3.14Å; L282-R285 PolarHBondContact O-N 3.35Å; L282-E286 HydrophobicContact CD1-CG 4.34Å; L282-E286 HydrophobicContact CG-CG 4.44Å; L282-E286 WeakPolarHBondContact O-CB 3.32Å; L282-E286 WeakPolarHBondContact O-CG 3.49Å; L282-E286 PolarHBondContact O-N 2.93Å; L282-V296 HydrophobicContact CD1-CG1 3.77Å; L282-T299 HydrophobicContact CB-CG2 3.89Å; L282-T299 HydrophobicContact CD1-CG2 4.26Å; L282-L300 HydrophobicContact CD1-CD2 3.93Å; L282-L300 HydrophobicContact CD1-CG 3.84Å; L282-L300 HydrophobicContact CD2-CD2 3.71Å; L282-L303 HydrophobicContact CB-CD1 4.39Å; L282-L303 HydrophobicContact CD2-CD1 3.93Å |
| 283 | A | 94.6 | Very high | 92.3 | Very high | 43 Ų | 43 | 49.5 Ų | 49.5 | 36% | 0.355 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | N279 D280 E286 K287 | N279-A283 PolarHBondContact O-N 3.4Å; D280-A283 WeakPolarHBondContact O-CB 3.23Å; D280-A283 PolarHBondContact O-N 3.27Å; D280-A283 VanDerWaalsContact O-N 3.08Å; A283-E286 PolarHBondContact O-N 2.98Å; A283-K287 WeakPolarHBondContact O-CG 3.5Å; A283-K287 PolarHBondContact O-N 3.28Å; A283-K287 VanDerWaalsContact O-N 3.13Å |
| 284 | I | 93.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.9 | -47.3 | 175.8 | -63.3 | 163 | 0 | 0 | 0 | 110.6 | H249 H251 V254 A255 L258 D280 L282 E286 K287 T288 | H249-I284 VanDerWaalsContact O-CD1 3.28Å; H249-I284 WeakPolarHBondContact O-CD1 3.31Å; H251-I284 WeakPolarHBondContact O-CG2 3.46Å; V254-I284 HydrophobicContact CB-CD1 4.48Å; V254-I284 HydrophobicContact CG1-CD1 4.08Å; A255-I284 HydrophobicContact CB-CB 4.01Å; A255-I284 HydrophobicContact CB-CD1 4.49Å; A255-I284 HydrophobicContact CB-CG2 3.84Å; L258-I284 HydrophobicContact CD1-CD1 3.71Å; D280-I284 WeakPolarHBondContact O-CG1 3.38Å; D280-I284 PolarHBondContact O-N 3.18Å; L282-I284 VanDerWaalsContact C-N 3.34Å; L282-I284 PolarHBondContact O-N 3.14Å; I284-E286 PolarHBondContact O-N 2.89Å; I284-K287 PolarHBondContact O-N 3.18Å; I284-T288 HydrophobicContact CG2-CG2 4.26Å; I284-T288 WeakPolarHBondContact O-CB 3.24Å; I284-T288 WeakPolarHBondContact O-CG2 3.39Å; I284-T288 PolarHBondContact O-N 2.87Å; I284-T288 PolarHBondContact O-OG1 3.28Å |
| 285 | R | 92.9 | Very high | 91.8 | Very high | 7 Ų | 7 | 48.4 Ų | 48.4 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.5 | -38.1 | -179.8 | -76.7 | 171.8 | 171.9 | 164.7 | -0.7 | 112.8 | A255 A281 L282 T288 L289 V296 T299 | A255-R285 HydrophobicContact CB-CG 3.81Å; A281-R285 WeakPolarHBondContact O-CB 3.45Å; A281-R285 VanDerWaalsContact O-CG 3.25Å; A281-R285 WeakPolarHBondContact O-CG 3.41Å; A281-R285 PolarHBondContact O-N 3.04Å; L282-R285 PolarHBondContact O-N 3.35Å; R285-T288 WeakPolarHBondContact CA-OG1 2.96Å; R285-L289 HydrophobicContact CB-CD1 4.4Å; R285-L289 HydrophobicContact CG-CD1 4.19Å; R285-L289 WeakPolarHBondContact O-CB 3.28Å; R285-L289 PolarHBondContact O-N 3.33Å; R285-V296 HydrophobicContact CB-CG2 3.91Å; R285-T299 VanDerWaalsContact CD-OG1 3.24Å; R285-T299 WeakPolarHBondContact CD-OG1 3.2Å; R285-T299 PolarHBondContact NH1-OG1 3.48Å |
| 286 | E | 93.3 | Very high | 91.7 | Very high | 50 Ų | 50 | 48.3 Ų | 48.3 | 23% | 0.234 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.3 | -38.5 | 176.5 | -75.6 | -177.4 | 179.1 | 0 | 0 | 112.6 | L282 A283 I284 G290 V296 R322 | L282-E286 HydrophobicContact CD1-CG 4.34Å; L282-E286 HydrophobicContact CG-CG 4.44Å; L282-E286 WeakPolarHBondContact O-CB 3.32Å; L282-E286 WeakPolarHBondContact O-CG 3.49Å; L282-E286 PolarHBondContact O-N 2.93Å; A283-E286 PolarHBondContact O-N 2.98Å; I284-E286 PolarHBondContact O-N 2.89Å; E286-G290 VanDerWaalsContact O-CA 3.29Å; E286-G290 WeakPolarHBondContact O-CA 3.37Å; E286-G290 PolarHBondContact O-N 2.91Å; E286-V296 HydrophobicContact CG-CG1 4.04Å; E286-V296 HydrophobicContact CG-CG2 4.09Å; E286-R322 IonicContact OE1-CZ 3.2Å; E286-R322 IonicContact OE1-NH1 3.39Å; E286-R322 PolarHBondContact OE1-NH1 3.47Å; E286-R322 IonicContact OE1-NH2 2.6Å; E286-R322 PolarHBondContact OE1-NH2 3.34Å |
| 287 | K | 92.6 | Very high | 91.6 | Very high | 140 Ų | 140 | 43.1 Ų | 43.1 | 61% | 0.609 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -69.9 | -43.1 | 176 | -72.3 | 179.1 | -174.2 | 173.7 | 0 | 112.5 | D250 A283 I284 | D250-K287 VanDerWaalsContact CG-NZ 3.34Å; D250-K287 IonicContact OD1-NZ 2.76Å; D250-K287 PolarHBondContact OD1-NZ 3.22Å; D250-K287 IonicContact OD2-NZ 2.73Å; D250-K287 PolarHBondContact OD2-NZ 3.41Å; A283-K287 WeakPolarHBondContact O-CG 3.5Å; A283-K287 PolarHBondContact O-N 3.28Å; A283-K287 VanDerWaalsContact O-N 3.13Å; I284-K287 PolarHBondContact O-N 3.18Å |
| 288 | T | 90.7 | Very high | 91.3 | Very high | 56 Ų | 56 | 41.8 Ų | 41.8 | 34% | 0.344 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -84.5 | -42.8 | -171.2 | 48.8 | 0 | 0 | 0 | 0 | 113.7 | D250 I284 R285 | D250-T288 WeakPolarHBondContact O-CG2 3.36Å; I284-T288 HydrophobicContact CG2-CG2 4.26Å; I284-T288 WeakPolarHBondContact O-CB 3.24Å; I284-T288 WeakPolarHBondContact O-CG2 3.39Å; I284-T288 PolarHBondContact O-N 2.87Å; I284-T288 PolarHBondContact O-OG1 3.28Å; R285-T288 WeakPolarHBondContact CA-OG1 2.96Å |
| 289 | L | 87.6 | Confident | 91.2 | Very high | 68 Ų | 68 | 41.6 Ų | 41.6 | 36% | 0.356 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -106.7 | -13 | -172.1 | -58.3 | 166.4 | 0 | 0 | 0 | 112.5 | R285 H293 A295 | R285-L289 HydrophobicContact CB-CD1 4.4Å; R285-L289 HydrophobicContact CG-CD1 4.19Å; R285-L289 WeakPolarHBondContact O-CB 3.28Å; R285-L289 PolarHBondContact O-N 3.33Å; L289-H293 HydrophobicContact CB-CB 3.76Å; L289-A295 HydrophobicContact CD1-CB 3.84Å |
| 290 | G | 89.8 | Confident | 91.1 | Very high | 30 Ų | 30 | 38.7 Ų | 38.7 | 31% | 0.309 | 21% | 0.207 | S | C | . | . | trans | 88.6 | 161.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | E286 D292 H293 V296 | E286-G290 VanDerWaalsContact O-CA 3.29Å; E286-G290 WeakPolarHBondContact O-CA 3.37Å; E286-G290 PolarHBondContact O-N 2.91Å; G290-D292 VanDerWaalsContact C-N 3.34Å; G290-D292 PolarHBondContact O-N 3.19Å; G290-H293 WeakPolarHBondContact O-CB 3.45Å; G290-H293 PolarHBondContact O-N 3.42Å; G290-V296 WeakPolarHBondContact O-CG2 3.33Å | ||
| 291 | K | 90.1 | Very high | 91 | Very high | 142 Ų | 142 | 37 Ų | 37 | 62% | 0.617 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -24.7 | -169.2 | -65.7 | 179.5 | -179 | 176.8 | 0 | 115 | I326 | K291-I326 VanDerWaalsContact O-CD1 3.27Å; K291-I326 WeakPolarHBondContact O-CD1 3.48Å |
| 292 | D | 89.3 | Confident | 90.8 | Very high | 83 Ų | 83 | 38.6 Ų | 38.6 | 44% | 0.444 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 13.8 | -178.6 | -68.7 | -55.5 | 0 | 0 | 0 | 112.5 | G290 I326 K329 V330 | G290-D292 VanDerWaalsContact C-N 3.34Å; G290-D292 PolarHBondContact O-N 3.19Å; D292-I326 WeakPolarHBondContact O-CG2 3.35Å; D292-K329 IonicContact OD1-NZ 2.63Å; D292-K329 PolarHBondContact OD1-NZ 3.17Å; D292-K329 IonicContact OD2-NZ 3.1Å; D292-V330 WeakPolarHBondContact O-CG2 3.36Å |
| 293 | H | 87.9 | Confident | 90.7 | Very high | 68 Ų | 68 | 37.9 Ų | 37.9 | 32% | 0.315 | 20% | 0.203 | S | C | . | . | trans | -75.9 | 142.9 | -179.2 | -167.6 | -90.2 | 0 | 0 | 0 | 112.6 | L289 G290 A295 V296 A297 | L289-H293 HydrophobicContact CB-CB 3.76Å; G290-H293 WeakPolarHBondContact O-CB 3.45Å; G290-H293 PolarHBondContact O-N 3.42Å; H293-A295 VanDerWaalsContact C-N 3.26Å; H293-A295 VanDerWaalsContact ND1-CB 3.3Å; H293-A295 WeakPolarHBondContact ND1-CB 3.36Å; H293-A295 PolarHBondContact ND1-N 2.99Å; H293-A295 PolarHBondContact O-N 2.97Å; H293-A295 VanDerWaalsContact O-N 3.17Å; H293-V296 HydrophobicContact CB-CG2 4.3Å; H293-V296 WeakPolarHBondContact O-CA 3.47Å; H293-V296 VanDerWaalsContact O-CB 3.31Å; H293-V296 WeakPolarHBondContact O-CB 3.39Å; H293-V296 PolarHBondContact O-N 3.17Å; H293-A297 PolarHBondContact O-N 2.89Å | ||
| 294 | P | 86.8 | Confident | 90.6 | Very high | 42 Ų | 42 | 35.8 Ų | 35.8 | 27% | 0.273 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -52.9 | -37.8 | 177.2 | -31.3 | 37.8 | 0 | 0 | 0 | 114.9 | V296 A297 A298 V330 | P294-V296 VanDerWaalsContact C-N 3.27Å; P294-V296 PolarHBondContact O-N 3.02Å; P294-A297 WeakPolarHBondContact O-CB 3.36Å; P294-A297 PolarHBondContact O-N 3.3Å; P294-A298 WeakPolarHBondContact O-CB 3.44Å; P294-A298 PolarHBondContact O-N 3.03Å; P294-V330 HydrophobicContact CG-CB 4.44Å; P294-V330 HydrophobicContact CG-CG1 3.8Å; P294-V330 HydrophobicContact CG-CG2 4.4Å |
| 295 | A | 86.5 | Confident | 90.3 | Very high | 8 Ų | 8 | 38.3 Ų | 38.3 | 7% | 0.066 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.1 | -32.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | L289 H293 T299 | L289-A295 HydrophobicContact CD1-CB 3.84Å; H293-A295 VanDerWaalsContact C-N 3.26Å; H293-A295 VanDerWaalsContact ND1-CB 3.3Å; H293-A295 WeakPolarHBondContact ND1-CB 3.36Å; H293-A295 PolarHBondContact ND1-N 2.99Å; H293-A295 PolarHBondContact O-N 2.97Å; H293-A295 VanDerWaalsContact O-N 3.17Å; A295-T299 PolarHBondContact O-N 2.82Å; A295-T299 PolarHBondContact O-OG1 2.81Å |
| 296 | V | 91.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.9 | -48.7 | 173.8 | 173 | 0 | 0 | 0 | 0 | 109.5 | L282 R285 E286 G290 H293 P294 A298 T299 L300 I326 | L282-V296 HydrophobicContact CD1-CG1 3.77Å; R285-V296 HydrophobicContact CB-CG2 3.91Å; E286-V296 HydrophobicContact CG-CG1 4.04Å; E286-V296 HydrophobicContact CG-CG2 4.09Å; G290-V296 WeakPolarHBondContact O-CG2 3.33Å; H293-V296 HydrophobicContact CB-CG2 4.3Å; H293-V296 WeakPolarHBondContact O-CA 3.47Å; H293-V296 VanDerWaalsContact O-CB 3.31Å; H293-V296 WeakPolarHBondContact O-CB 3.39Å; H293-V296 PolarHBondContact O-N 3.17Å; P294-V296 VanDerWaalsContact C-N 3.27Å; P294-V296 PolarHBondContact O-N 3.02Å; V296-A298 PolarHBondContact O-N 3.19Å; V296-T299 PolarHBondContact O-N 3Å; V296-T299 VanDerWaalsContact O-N 3.12Å; V296-L300 HydrophobicContact CG1-CD1 3.92Å; V296-L300 HydrophobicContact CG1-CG 4.36Å; V296-L300 WeakPolarHBondContact O-CG 3.27Å; V296-L300 PolarHBondContact O-N 3.36Å; V296-I326 HydrophobicContact CG1-CD1 4.06Å |
| 297 | A | 91.3 | Very high | 90 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55.8 | -40.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | H293 P294 N301 A323 I326 R327 | H293-A297 PolarHBondContact O-N 2.89Å; P294-A297 WeakPolarHBondContact O-CB 3.36Å; P294-A297 PolarHBondContact O-N 3.3Å; A297-N301 WeakPolarHBondContact O-CB 3.48Å; A297-N301 PolarHBondContact O-N 3.44Å; A297-A323 HydrophobicContact CB-CB 4.3Å; A297-A323 WeakPolarHBondContact O-CB 3.39Å; A297-I326 HydrophobicContact CB-CB 3.9Å; A297-I326 HydrophobicContact CB-CD1 4.34Å; A297-I326 HydrophobicContact CB-CG2 3.75Å; A297-R327 HydrophobicContact CB-CG 4.12Å |
| 298 | A | 88.5 | Confident | 89.7 | Confident | 3 Ų | 3 | 31.4 Ų | 31.4 | 3% | 0.025 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -71.6 | -36.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y207 P294 V296 N301 N302 | Y207-A298 HydrophobicContact CD2-CB 4.13Å; Y207-A298 HydrophobicContact CE1-CB 3.89Å; Y207-A298 HydrophobicContact CE2-CB 3.28Å; Y207-A298 WeakPolarHBondContact OH-CA 3.29Å; Y207-A298 WeakPolarHBondContact OH-CB 3.29Å; Y207-A298 PolarHBondContact OH-O 3.46Å; P294-A298 WeakPolarHBondContact O-CB 3.44Å; P294-A298 PolarHBondContact O-N 3.03Å; V296-A298 PolarHBondContact O-N 3.19Å; A298-N301 PolarHBondContact O-N 3.36Å; A298-N302 PolarHBondContact O-N 3.45Å |
| 299 | T | 90.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65 | -44.3 | 173.4 | -46 | 0 | 0 | 0 | 0 | 111.5 | Y207 L278 A281 L282 R285 A295 V296 N301 N302 L303 | Y207-T299 PolarHBondContact OH-N 3.16Å; Y207-T299 VanDerWaalsContact OH-N 3.08Å; L278-T299 HydrophobicContact CD2-CG2 4.38Å; L278-T299 WeakPolarHBondContact O-CG2 3.41Å; A281-T299 HydrophobicContact CB-CG2 4.5Å; L282-T299 HydrophobicContact CB-CG2 3.89Å; L282-T299 HydrophobicContact CD1-CG2 4.26Å; R285-T299 VanDerWaalsContact CD-OG1 3.24Å; R285-T299 WeakPolarHBondContact CD-OG1 3.2Å; R285-T299 PolarHBondContact NH1-OG1 3.48Å; A295-T299 PolarHBondContact O-N 2.82Å; A295-T299 PolarHBondContact O-OG1 2.81Å; V296-T299 PolarHBondContact O-N 3Å; V296-T299 VanDerWaalsContact O-N 3.12Å; T299-N301 VanDerWaalsContact C-N 3.3Å; T299-N301 PolarHBondContact O-N 2.82Å; T299-N302 PolarHBondContact O-N 2.87Å; T299-L303 PolarHBondContact O-N 3.41Å |
| 300 | L | 93.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.7 | -41.9 | 175 | -72.7 | 169.5 | 0 | 0 | 0 | 111.7 | L282 V296 L303 A304 L319 R322 A323 I326 | L282-L300 HydrophobicContact CD1-CD2 3.93Å; L282-L300 HydrophobicContact CD1-CG 3.84Å; L282-L300 HydrophobicContact CD2-CD2 3.71Å; V296-L300 HydrophobicContact CG1-CD1 3.92Å; V296-L300 HydrophobicContact CG1-CG 4.36Å; V296-L300 WeakPolarHBondContact O-CG 3.27Å; V296-L300 PolarHBondContact O-N 3.36Å; L300-L303 PolarHBondContact O-N 3.11Å; L300-A304 WeakPolarHBondContact O-CB 3.33Å; L300-A304 PolarHBondContact O-N 2.9Å; L300-L319 HydrophobicContact CD2-CB 4.45Å; L300-L319 HydrophobicContact CD2-CD2 3.75Å; L300-R322 HydrophobicContact CD1-CB 4.18Å; L300-R322 HydrophobicContact CD1-CG 3.77Å; L300-A323 HydrophobicContact CB-CB 3.91Å; L300-I326 HydrophobicContact CD1-CD1 3.91Å |
| 301 | N | 91.3 | Very high | 89.3 | Confident | 21 Ų | 21 | 37 Ų | 37 | 11% | 0.112 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.2 | -43.9 | 175.7 | -175.2 | 51.1 | 0 | 0 | 0 | 112 | A297 A298 T299 L303 A304 V305 Q341 N344 | A297-N301 WeakPolarHBondContact O-CB 3.48Å; A297-N301 PolarHBondContact O-N 3.44Å; A298-N301 PolarHBondContact O-N 3.36Å; T299-N301 VanDerWaalsContact C-N 3.3Å; T299-N301 PolarHBondContact O-N 2.82Å; N301-L303 VanDerWaalsContact C-N 3.35Å; N301-L303 PolarHBondContact O-N 3.42Å; N301-A304 PolarHBondContact O-N 2.91Å; N301-V305 WeakPolarHBondContact O-CG2 3.4Å; N301-V305 PolarHBondContact O-N 3.32Å; N301-Q341 VanDerWaalsContact CG-OE1 3.31Å; N301-Q341 PolarHBondContact OD1-OE1 3.46Å; N301-N344 PolarHBondContact ND2-ND2 3.25Å; N301-N344 PolarHBondContact OD1-ND2 3.46Å |
| 302 | N | 90.3 | Very high | 89.3 | Confident | 33 Ų | 33 | 33.5 Ų | 33.5 | 18% | 0.176 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.6 | -41.8 | 175.9 | -73 | -18.8 | 0 | 0 | 0 | 111.9 | Y207 N259 L278 A298 T299 V305 L306 | Y207-N302 PolarHBondContact OH-ND2 3.45Å; N259-N302 PolarHBondContact OD1-ND2 2.84Å; L278-N302 HydrophobicContact CD1-CB 3.61Å; A298-N302 PolarHBondContact O-N 3.45Å; T299-N302 PolarHBondContact O-N 2.87Å; N302-V305 PolarHBondContact O-N 2.9Å; N302-L306 WeakPolarHBondContact O-CG 3.33Å; N302-L306 PolarHBondContact O-N 3.14Å |
| 303 | L | 92.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.9 | -45.6 | 173.5 | -80.9 | 167.8 | 0 | 0 | 0 | 112.3 | L278 L282 T299 L300 N301 V305 L306 Y307 L319 | L278-L303 HydrophobicContact CB-CD1 4.27Å; L278-L303 HydrophobicContact CB-CD2 3.39Å; L278-L303 HydrophobicContact CB-CG 3.6Å; L278-L303 HydrophobicContact CD1-CD2 4.14Å; L278-L303 HydrophobicContact CD1-CG 4.06Å; L278-L303 HydrophobicContact CG-CD2 4.41Å; L282-L303 HydrophobicContact CB-CD1 4.39Å; L282-L303 HydrophobicContact CD2-CD1 3.93Å; T299-L303 PolarHBondContact O-N 3.41Å; L300-L303 PolarHBondContact O-N 3.11Å; N301-L303 VanDerWaalsContact C-N 3.35Å; N301-L303 PolarHBondContact O-N 3.42Å; L303-V305 VanDerWaalsContact C-N 3.31Å; L303-V305 PolarHBondContact O-N 3.33Å; L303-L306 WeakPolarHBondContact O-CB 3.45Å; L303-L306 PolarHBondContact O-N 3.1Å; L303-L306 VanDerWaalsContact O-N 3.15Å; L303-Y307 PolarHBondContact O-N 3.05Å; L303-L319 HydrophobicContact CB-CD1 3.94Å |
| 304 | A | 91.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.4 | -40.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L300 N301 Y307 G308 A316 L319 C320 L348 | L300-A304 WeakPolarHBondContact O-CB 3.33Å; L300-A304 PolarHBondContact O-N 2.9Å; N301-A304 PolarHBondContact O-N 2.91Å; A304-Y307 PolarHBondContact O-N 2.8Å; A304-G308 PolarHBondContact O-N 3.4Å; A304-A316 HydrophobicContact CB-CB 4.27Å; A304-A316 WeakPolarHBondContact O-CB 3.44Å; A304-L319 HydrophobicContact CB-CB 4.17Å; A304-C320 HydrophobicContact CB-CB 4.25Å; A304-C320 WeakPolarHBondContact CB-SG 3.42Å; A304-L348 HydrophobicContact CB-CD1 4.32Å |
| 305 | V | 88.1 | Confident | 89.5 | Confident | 53 Ų | 53 | 40.1 Ų | 40.1 | 32% | 0.321 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.2 | -42.6 | 174.5 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | N301 N302 L303 G308 K309 | N301-V305 WeakPolarHBondContact O-CG2 3.4Å; N301-V305 PolarHBondContact O-N 3.32Å; N302-V305 PolarHBondContact O-N 2.9Å; L303-V305 VanDerWaalsContact C-N 3.31Å; L303-V305 PolarHBondContact O-N 3.33Å; V305-G308 PolarHBondContact O-N 2.95Å; V305-K309 WeakPolarHBondContact O-CG 3.5Å; V305-K309 PolarHBondContact O-N 3.02Å |
| 306 | L | 89.2 | Confident | 89.8 | Confident | 5 Ų | 5 | 39.7 Ų | 39.7 | 3% | 0.026 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.6 | -44 | 176.2 | -70 | -178.7 | 0 | 0 | 0 | 112.2 | R266 Y271 A274 A275 L278 N302 L303 K309 R310 | R266-L306 HydrophobicContact CB-CD2 3.88Å; R266-L306 HydrophobicContact CG-CD2 3.62Å; Y271-L306 HydrophobicContact CD1-CD2 3.92Å; A274-L306 HydrophobicContact CB-CD1 3.71Å; A274-L306 HydrophobicContact CB-CD2 4.18Å; A275-L306 HydrophobicContact CB-CD1 4.35Å; L278-L306 HydrophobicContact CD1-CD1 3.48Å; L278-L306 VanDerWaalsContact CD1-CD1 3.48Å; L278-L306 HydrophobicContact CD1-CG 4.3Å; L278-L306 HydrophobicContact CG-CD1 4.3Å; N302-L306 WeakPolarHBondContact O-CG 3.33Å; N302-L306 PolarHBondContact O-N 3.14Å; L303-L306 WeakPolarHBondContact O-CB 3.45Å; L303-L306 PolarHBondContact O-N 3.1Å; L303-L306 VanDerWaalsContact O-N 3.15Å; L306-K309 PolarHBondContact O-N 3.25Å; L306-R310 WeakPolarHBondContact O-CG 3.2Å; L306-R310 PolarHBondContact O-N 2.99Å |
| 307 | Y | 90.4 | Very high | 89.8 | Confident | 36 Ų | 36 | 40.7 Ų | 40.7 | 14% | 0.141 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66 | -38.4 | 175.5 | -73.3 | -17 | 0 | 0 | 0 | 112.1 | A275 L303 A304 K309 R310 G311 K312 E315 L319 | A275-Y307 HydrophobicContact CB-CE1 4.01Å; L303-Y307 PolarHBondContact O-N 3.05Å; A304-Y307 PolarHBondContact O-N 2.8Å; Y307-K309 PolarHBondContact O-N 2.96Å; Y307-R310 CarbonylContact O-C 3.59Å; Y307-R310 PolarHBondContact O-N 3.03Å; Y307-R310 VanDerWaalsContact O-N 3.14Å; Y307-G311 PolarHBondContact O-N 2.71Å; Y307-K312 WeakPolarHBondContact O-CA 3.36Å; Y307-K312 WeakPolarHBondContact O-CB 3.43Å; Y307-K312 PolarHBondContact O-N 3.44Å; Y307-E315 HydrophobicContact CD2-CB 3.92Å; Y307-E315 HydrophobicContact CE2-CB 4.27Å; Y307-L319 HydrophobicContact CD2-CD1 3.71Å; Y307-L319 HydrophobicContact CE2-CD1 3.69Å |
| 308 | G | 86.6 | Confident | 89.9 | Confident | 11 Ų | 11 | 44.2 Ų | 44.2 | 11% | 0.113 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58 | -46 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A304 V305 R310 G311 Y313 | A304-G308 PolarHBondContact O-N 3.4Å; V305-G308 PolarHBondContact O-N 2.95Å; G308-R310 PolarHBondContact O-N 3.21Å; G308-G311 PolarHBondContact O-N 3.33Å; G308-Y313 VanDerWaalsContact O-CE1 3.24Å; G308-Y313 WeakPolarHBondContact O-CE1 3.48Å |
| 309 | K | 86.3 | Confident | 90.1 | Very high | 144 Ų | 144 | 45.7 Ų | 45.7 | 63% | 0.626 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -62.3 | -27.8 | 175.9 | -72.1 | -71.9 | -176.5 | 177.1 | 0 | 113.5 | Y271 V305 L306 Y307 G311 | Y271-K309 HydrophobicContact CD1-CB 4.26Å; Y271-K309 HydrophobicContact CE1-CB 3.86Å; Y271-K309 HydrophobicContact CE1-CG 4.27Å; V305-K309 WeakPolarHBondContact O-CG 3.5Å; V305-K309 PolarHBondContact O-N 3.02Å; L306-K309 PolarHBondContact O-N 3.25Å; Y307-K309 PolarHBondContact O-N 2.96Å; K309-G311 VanDerWaalsContact C-N 3.29Å |
| 310 | R | 87.1 | Confident | 90.2 | Very high | 87 Ų | 87 | 45.7 Ų | 45.7 | 33% | 0.328 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 0.2 | 174.2 | -67.9 | 179.5 | 65.2 | -174.8 | -2.2 | 113.9 | Y271 L306 Y307 G308 K312 | Y271-R310 HydrophobicContact CD2-CG 4.47Å; Y271-R310 HydrophobicContact CG-CG 4.14Å; L306-R310 WeakPolarHBondContact O-CG 3.2Å; L306-R310 PolarHBondContact O-N 2.99Å; Y307-R310 CarbonylContact O-C 3.59Å; Y307-R310 PolarHBondContact O-N 3.03Å; Y307-R310 VanDerWaalsContact O-N 3.14Å; G308-R310 PolarHBondContact O-N 3.21Å; R310-K312 HydrophobicContact CB-CG 4.19Å; R310-K312 PolarHBondContact O-N 2.92Å |
| 311 | G | 86.7 | Confident | 90.1 | Very high | 40 Ų | 40 | 48.9 Ų | 48.9 | 41% | 0.412 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75 | 9.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y307 G308 K309 Y313 | Y307-G311 PolarHBondContact O-N 2.71Å; G308-G311 PolarHBondContact O-N 3.33Å; K309-G311 VanDerWaalsContact C-N 3.29Å; G311-Y313 VanDerWaalsContact C-N 3.29Å; G311-Y313 WeakPolarHBondContact O-CD2 3.46Å; G311-Y313 PolarHBondContact O-N 2.92Å; G311-Y313 VanDerWaalsContact O-N 3.13Å |
| 312 | K | 90.5 | Very high | 90.3 | Very high | 70 Ų | 70 | 51.3 Ų | 51.3 | 30% | 0.304 | 25% | 0.248 | S | C | . | . | trans | -88.8 | 57.6 | -178.7 | -65.5 | -152.9 | 177.3 | -164 | 0 | 112.1 | Y307 R310 K314 E315 A316 | Y307-K312 WeakPolarHBondContact O-CA 3.36Å; Y307-K312 WeakPolarHBondContact O-CB 3.43Å; Y307-K312 PolarHBondContact O-N 3.44Å; R310-K312 HydrophobicContact CB-CG 4.19Å; R310-K312 PolarHBondContact O-N 2.92Å; K312-K314 VanDerWaalsContact C-N 3.33Å; K312-K314 PolarHBondContact O-N 3.45Å; K312-E315 HydrophobicContact CB-CB 4.41Å; K312-E315 VanDerWaalsContact CD-CD 3.42Å; K312-E315 WeakPolarHBondContact CD-OE1 3.5Å; K312-E315 WeakPolarHBondContact CD-OE2 3.4Å; K312-E315 IonicContact NZ-OE1 2.81Å; K312-E315 PolarHBondContact NZ-OE1 2.94Å; K312-E315 IonicContact NZ-OE2 3.06Å; K312-E315 PolarHBondContact NZ-OE2 2.99Å; K312-E315 PolarHBondContact O-N 3.4Å; K312-A316 PolarHBondContact O-N 3.42Å | ||
| 313 | Y | 89.4 | Confident | 90.4 | Very high | 68 Ų | 68 | 49.8 Ų | 49.8 | 27% | 0.267 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.2 | -34.4 | -171.8 | -52.2 | -64.2 | 0 | 0 | 0 | 113.8 | G308 G311 E315 A316 E317 L348 N351 Q352 | G308-Y313 VanDerWaalsContact O-CE1 3.24Å; G308-Y313 WeakPolarHBondContact O-CE1 3.48Å; G311-Y313 VanDerWaalsContact C-N 3.29Å; G311-Y313 WeakPolarHBondContact O-CD2 3.46Å; G311-Y313 PolarHBondContact O-N 2.92Å; G311-Y313 VanDerWaalsContact O-N 3.13Å; Y313-E315 VanDerWaalsContact C-N 3.33Å; Y313-E315 PolarHBondContact O-N 3.25Å; Y313-A316 PolarHBondContact O-N 2.91Å; Y313-E317 PolarHBondContact O-N 2.93Å; Y313-L348 HydrophobicContact CD1-CD2 3.98Å; Y313-N351 HydrophobicContact CD1-CB 3.83Å; Y313-N351 HydrophobicContact CD2-CB 3.99Å; Y313-N351 HydrophobicContact CE1-CB 3.65Å; Y313-N351 WeakPolarHBondContact CE1-ND2 3.33Å; Y313-N351 HydrophobicContact CE2-CB 3.81Å; Y313-N351 HydrophobicContact CG-CB 3.99Å; Y313-Q352 HydrophobicContact CG-CG 4.47Å; Y313-Q352 PolarHBondContact O-NE2 2.86Å |
| 314 | K | 89.3 | Confident | 90.5 | Very high | 177 Ų | 177 | 50.4 Ų | 50.4 | 77% | 0.77 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -64.7 | -33.7 | 177.2 | -65.6 | -173.2 | 179.1 | -177.2 | 0 | 113.3 | K312 P318 | K312-K314 VanDerWaalsContact C-N 3.33Å; K312-K314 PolarHBondContact O-N 3.45Å; K314-P318 VanDerWaalsContact O-CD 3.24Å; K314-P318 WeakPolarHBondContact O-CD 3.41Å |
| 315 | E | 89.3 | Confident | 90.6 | Very high | 86 Ų | 86 | 55.5 Ų | 55.5 | 40% | 0.402 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -78.6 | -28.9 | 175.7 | -66.1 | 175.1 | -161 | 0 | 0 | 111.3 | Y307 K312 Y313 P318 | Y307-E315 HydrophobicContact CD2-CB 3.92Å; Y307-E315 HydrophobicContact CE2-CB 4.27Å; K312-E315 HydrophobicContact CB-CB 4.41Å; K312-E315 VanDerWaalsContact CD-CD 3.42Å; K312-E315 WeakPolarHBondContact CD-OE1 3.5Å; K312-E315 WeakPolarHBondContact CD-OE2 3.4Å; K312-E315 IonicContact NZ-OE1 2.81Å; K312-E315 PolarHBondContact NZ-OE1 2.94Å; K312-E315 IonicContact NZ-OE2 3.06Å; K312-E315 PolarHBondContact NZ-OE2 2.99Å; K312-E315 PolarHBondContact O-N 3.4Å; Y313-E315 VanDerWaalsContact C-N 3.33Å; Y313-E315 PolarHBondContact O-N 3.25Å; E315-P318 WeakPolarHBondContact O-CD 3.35Å; E315-P318 WeakPolarHBondContact O-CG 3.19Å |
| 316 | A | 92.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -76.7 | -36.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113.9 | A304 K312 Y313 L319 C320 L348 | A304-A316 HydrophobicContact CB-CB 4.27Å; A304-A316 WeakPolarHBondContact O-CB 3.44Å; K312-A316 PolarHBondContact O-N 3.42Å; Y313-A316 PolarHBondContact O-N 2.91Å; A316-L319 PolarHBondContact O-N 3.37Å; A316-C320 PolarHBondContact O-N 3.31Å; A316-L348 HydrophobicContact CB-CD1 3.89Å; A316-L348 HydrophobicContact CB-CD2 3.79Å; A316-L348 HydrophobicContact CB-CG 4.49Å |
| 317 | E | 90.6 | Very high | 90.9 | Very high | 21 Ų | 21 | 53.9 Ų | 53.9 | 10% | 0.098 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -54.6 | -52.2 | -177.8 | -173.5 | -177.3 | 150.7 | 0 | 0 | 114.3 | Y313 L319 C320 K321 L345 Q352 K354 | Y313-E317 PolarHBondContact O-N 2.93Å; E317-L319 VanDerWaalsContact C-N 3.26Å; E317-L319 PolarHBondContact O-N 3.15Å; E317-C320 PolarHBondContact O-N 2.95Å; E317-K321 HydrophobicContact CG-CD 4.25Å; E317-K321 PolarHBondContact O-N 3.34Å; E317-K321 WeakPolarHBondContact OE1-CE 3.47Å; E317-K321 IonicContact OE1-NZ 3.32Å; E317-K321 PolarHBondContact OE1-NZ 2.96Å; E317-L345 HydrophobicContact CG-CD1 4.2Å; E317-Q352 PolarHBondContact OE2-NE2 3.05Å; E317-Q352 PolarHBondContact OE2-OE1 3.4Å; E317-K354 VanDerWaalsContact CD-NZ 3.33Å; E317-K354 IonicContact OE1-NZ 2.63Å; E317-K354 PolarHBondContact OE1-NZ 3.28Å; E317-K354 VanDerWaalsContact OE1-NZ 3.13Å; E317-K354 IonicContact OE2-NZ 3.84Å; E317-K354 PolarHBondContact OE2-NZ 3Å |
| 318 | P | 93.2 | Very high | 91.1 | Very high | 74 Ų | 74 | 54.2 Ų | 54.2 | 48% | 0.481 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63 | -33.3 | -179.5 | 24.4 | -34.6 | 0 | 0 | 0 | 112.5 | K314 E315 K321 R322 | K314-P318 VanDerWaalsContact O-CD 3.24Å; K314-P318 WeakPolarHBondContact O-CD 3.41Å; E315-P318 WeakPolarHBondContact O-CD 3.35Å; E315-P318 WeakPolarHBondContact O-CG 3.19Å; P318-K321 PolarHBondContact O-N 2.99Å; P318-R322 WeakPolarHBondContact O-CB 3.3Å; P318-R322 PolarHBondContact O-N 3.39Å |
| 319 | L | 93.7 | Very high | 91.3 | Very high | 33 Ų | 33 | 60.4 Ų | 60.4 | 17% | 0.173 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.8 | -42.8 | 176.1 | -58.9 | 177.3 | 0 | 0 | 0 | 111.4 | L300 L303 A304 Y307 A316 E317 A323 | L300-L319 HydrophobicContact CD2-CB 4.45Å; L300-L319 HydrophobicContact CD2-CD2 3.75Å; L303-L319 HydrophobicContact CB-CD1 3.94Å; A304-L319 HydrophobicContact CB-CB 4.17Å; Y307-L319 HydrophobicContact CD2-CD1 3.71Å; Y307-L319 HydrophobicContact CE2-CD1 3.69Å; A316-L319 PolarHBondContact O-N 3.37Å; E317-L319 VanDerWaalsContact C-N 3.26Å; E317-L319 PolarHBondContact O-N 3.15Å; L319-A323 WeakPolarHBondContact O-CB 3.36Å; L319-A323 PolarHBondContact O-N 3.43Å |
| 320 | C | 92.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.007 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.6 | -37.9 | 176.2 | -104.2 | 0 | 0 | 0 | 0 | 112.8 | A304 A316 E317 A323 L324 Q341 L345 L348 | A304-C320 HydrophobicContact CB-CB 4.25Å; A304-C320 WeakPolarHBondContact CB-SG 3.42Å; A316-C320 PolarHBondContact O-N 3.31Å; E317-C320 PolarHBondContact O-N 2.95Å; C320-A323 PolarHBondContact O-N 2.93Å; C320-L324 WeakPolarHBondContact O-CB 3.46Å; C320-L324 PolarHBondContact O-N 3.09Å; C320-Q341 PolarHBondContact O-NE2 3.18Å; C320-Q341 VanDerWaalsContact O-NE2 3.07Å; C320-Q341 PolarHBondContact SG-NE2 3.34Å; C320-L345 HydrophobicContact CB-CD1 3.9Å; C320-L348 HydrophobicContact CB-CD1 3.84Å; C320-L348 VanDerWaalsContact SG-CD1 3.55Å |
| 321 | K | 93.3 | Very high | 91.5 | Very high | 66 Ų | 66 | 56.2 Ų | 56.2 | 29% | 0.287 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.2 | -46.7 | 174.6 | -78.1 | 179.9 | 170 | 168.6 | 0 | 111.4 | E317 P318 A323 L324 E325 L345 | E317-K321 HydrophobicContact CG-CD 4.25Å; E317-K321 PolarHBondContact O-N 3.34Å; E317-K321 WeakPolarHBondContact OE1-CE 3.47Å; E317-K321 IonicContact OE1-NZ 3.32Å; E317-K321 PolarHBondContact OE1-NZ 2.96Å; P318-K321 PolarHBondContact O-N 2.99Å; K321-A323 VanDerWaalsContact C-N 3.33Å; K321-A323 PolarHBondContact O-N 3.09Å; K321-L324 WeakPolarHBondContact O-CB 3.3Å; K321-L324 PolarHBondContact O-N 2.68Å; K321-L324 VanDerWaalsContact O-N 3.08Å; K321-E325 WeakPolarHBondContact O-CG 3.31Å; K321-E325 PolarHBondContact O-N 3.44Å; K321-L345 HydrophobicContact CG-CD1 3.99Å; K321-L345 HydrophobicContact CG-CD2 4.08Å |
| 322 | R | 94.3 | Very high | 91.7 | Very high | 73 Ų | 73 | 55.8 Ų | 55.8 | 28% | 0.275 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.7 | -42.5 | 174.5 | -174.6 | 180 | 169.6 | -154.4 | -9.3 | 112.2 | E286 L300 P318 L324 E325 I326 | E286-R322 IonicContact OE1-CZ 3.2Å; E286-R322 IonicContact OE1-NH1 3.39Å; E286-R322 PolarHBondContact OE1-NH1 3.47Å; E286-R322 IonicContact OE1-NH2 2.6Å; E286-R322 PolarHBondContact OE1-NH2 3.34Å; L300-R322 HydrophobicContact CD1-CB 4.18Å; L300-R322 HydrophobicContact CD1-CG 3.77Å; P318-R322 WeakPolarHBondContact O-CB 3.3Å; P318-R322 PolarHBondContact O-N 3.39Å; R322-L324 VanDerWaalsContact C-N 3.3Å; R322-L324 PolarHBondContact O-N 2.7Å; R322-E325 PolarHBondContact O-N 3.07Å; R322-I326 HydrophobicContact CG-CD1 4.21Å; R322-I326 VanDerWaalsContact O-CG1 3.29Å; R322-I326 WeakPolarHBondContact O-CG1 3.06Å; R322-I326 PolarHBondContact O-N 3.01Å; R322-I326 VanDerWaalsContact O-N 3.1Å |
| 323 | A | 93.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.7 | -34.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A297 L300 L319 C320 K321 R327 | A297-A323 HydrophobicContact CB-CB 4.3Å; A297-A323 WeakPolarHBondContact O-CB 3.39Å; L300-A323 HydrophobicContact CB-CB 3.91Å; L319-A323 WeakPolarHBondContact O-CB 3.36Å; L319-A323 PolarHBondContact O-N 3.43Å; C320-A323 PolarHBondContact O-N 2.93Å; K321-A323 VanDerWaalsContact C-N 3.33Å; K321-A323 PolarHBondContact O-N 3.09Å; A323-R327 WeakPolarHBondContact O-CG 3.34Å; A323-R327 PolarHBondContact O-N 3.02Å; A323-R327 VanDerWaalsContact O-N 3.09Å |
| 324 | L | 93.1 | Very high | 91.7 | Very high | 14 Ų | 14 | 60.6 Ų | 60.6 | 7% | 0.073 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.6 | -49.6 | 174.6 | -179.1 | 68.1 | 0 | 0 | 0 | 111.2 | C320 K321 R322 I326 R327 E328 V338 Q341 L342 L345 | C320-L324 WeakPolarHBondContact O-CB 3.46Å; C320-L324 PolarHBondContact O-N 3.09Å; K321-L324 WeakPolarHBondContact O-CB 3.3Å; K321-L324 PolarHBondContact O-N 2.68Å; K321-L324 VanDerWaalsContact O-N 3.08Å; R322-L324 VanDerWaalsContact C-N 3.3Å; R322-L324 PolarHBondContact O-N 2.7Å; L324-I326 VanDerWaalsContact C-N 3.29Å; L324-I326 PolarHBondContact O-N 2.69Å; L324-R327 PolarHBondContact O-N 3.48Å; L324-R327 VanDerWaalsContact O-N 3.11Å; L324-E328 HydrophobicContact CD1-CG 4.33Å; L324-E328 HydrophobicContact CG-CG 4.38Å; L324-E328 WeakPolarHBondContact O-CG 3.06Å; L324-E328 PolarHBondContact O-N 3.28Å; L324-V338 HydrophobicContact CD1-CG1 3.73Å; L324-Q341 HydrophobicContact CB-CG 3.83Å; L324-Q341 HydrophobicContact CD1-CB 4.01Å; L324-Q341 HydrophobicContact CD1-CG 3.94Å; L324-L342 HydrophobicContact CD1-CD2 3.98Å; L324-L342 HydrophobicContact CD1-CG 3.87Å; L324-L342 HydrophobicContact CD2-CD2 3.72Å; L324-L345 HydrophobicContact CD2-CD2 4.1Å |
| 325 | E | 93.8 | Very high | 91.7 | Very high | 106 Ų | 106 | 55.5 Ų | 55.5 | 50% | 0.495 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -56.2 | -43.5 | 178 | -70.9 | 166.8 | -164.4 | 0 | 0 | 111.7 | K321 R322 E328 K329 | K321-E325 WeakPolarHBondContact O-CG 3.31Å; K321-E325 PolarHBondContact O-N 3.44Å; R322-E325 PolarHBondContact O-N 3.07Å; E325-E328 PolarHBondContact O-N 2.9Å; E325-K329 WeakPolarHBondContact O-CG 3.5Å; E325-K329 PolarHBondContact O-N 3Å |
| 326 | I | 92.8 | Very high | 91.8 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.7 | -46.6 | 176.7 | -64.3 | 166.6 | 0 | 0 | 0 | 110.9 | K291 D292 V296 A297 L300 R322 L324 E328 K329 V330 | K291-I326 VanDerWaalsContact O-CD1 3.27Å; K291-I326 WeakPolarHBondContact O-CD1 3.48Å; D292-I326 WeakPolarHBondContact O-CG2 3.35Å; V296-I326 HydrophobicContact CG1-CD1 4.06Å; A297-I326 HydrophobicContact CB-CB 3.9Å; A297-I326 HydrophobicContact CB-CD1 4.34Å; A297-I326 HydrophobicContact CB-CG2 3.75Å; L300-I326 HydrophobicContact CD1-CD1 3.91Å; R322-I326 HydrophobicContact CG-CD1 4.21Å; R322-I326 VanDerWaalsContact O-CG1 3.29Å; R322-I326 WeakPolarHBondContact O-CG1 3.06Å; R322-I326 PolarHBondContact O-N 3.01Å; R322-I326 VanDerWaalsContact O-N 3.1Å; L324-I326 VanDerWaalsContact C-N 3.29Å; L324-I326 PolarHBondContact O-N 2.69Å; I326-E328 VanDerWaalsContact C-N 3.35Å; I326-E328 PolarHBondContact O-N 3.43Å; I326-K329 PolarHBondContact O-N 2.81Å; I326-V330 HydrophobicContact CG2-CG2 4.37Å; I326-V330 WeakPolarHBondContact O-CG2 3.42Å; I326-V330 PolarHBondContact O-N 3.28Å |
| 327 | R | 91.6 | Very high | 91.6 | Very high | 23 Ų | 23 | 54.2 Ų | 54.2 | 9% | 0.087 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.2 | -40.1 | 179.1 | -76.1 | 176 | 179.9 | -98.6 | -12.2 | 112.1 | A297 A323 L324 V330 L331 D337 V338 | A297-R327 HydrophobicContact CB-CG 4.12Å; A323-R327 WeakPolarHBondContact O-CG 3.34Å; A323-R327 PolarHBondContact O-N 3.02Å; A323-R327 VanDerWaalsContact O-N 3.09Å; L324-R327 PolarHBondContact O-N 3.48Å; L324-R327 VanDerWaalsContact O-N 3.11Å; R327-V330 PolarHBondContact O-N 2.8Å; R327-L331 WeakPolarHBondContact O-CB 3.42Å; R327-L331 PolarHBondContact O-N 3.12Å; R327-D337 IonicContact CZ-OD2 3.36Å; R327-D337 VanDerWaalsContact NH1-CB 3.27Å; R327-D337 IonicContact NH1-OD2 3.58Å; R327-D337 PolarHBondContact NH1-OD2 3.09Å; R327-V338 HydrophobicContact CB-CG2 4.09Å |
| 328 | E | 93.3 | Very high | 91.7 | Very high | 42 Ų | 42 | 53.2 Ų | 53.2 | 20% | 0.196 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.3 | -39.4 | 176.5 | -73.3 | -178.6 | 167 | 0 | 0 | 112.3 | L324 E325 I326 G332 V338 R364 | L324-E328 HydrophobicContact CD1-CG 4.33Å; L324-E328 HydrophobicContact CG-CG 4.38Å; L324-E328 WeakPolarHBondContact O-CG 3.06Å; L324-E328 PolarHBondContact O-N 3.28Å; E325-E328 PolarHBondContact O-N 2.9Å; I326-E328 VanDerWaalsContact C-N 3.35Å; I326-E328 PolarHBondContact O-N 3.43Å; E328-G332 CarbonylContact O-C 3.46Å; E328-G332 WeakPolarHBondContact O-CA 3.48Å; E328-G332 PolarHBondContact O-N 3.23Å; E328-V338 HydrophobicContact CG-CG1 3.79Å; E328-V338 HydrophobicContact CG-CG2 4.04Å; E328-R364 IonicContact OE1-CZ 2.76Å; E328-R364 IonicContact OE1-NH1 3.23Å; E328-R364 PolarHBondContact OE1-NH1 2.81Å; E328-R364 IonicContact OE1-NH2 3.39Å; E328-R364 PolarHBondContact OE1-NH2 3.37Å |
| 329 | K | 91.8 | Very high | 91.7 | Very high | 142 Ų | 142 | 49.7 Ų | 49.7 | 62% | 0.617 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -66.1 | -44 | 176.1 | -76.3 | 179.4 | -174.5 | 177.5 | 0 | 112.6 | D292 E325 I326 | D292-K329 IonicContact OD1-NZ 2.63Å; D292-K329 PolarHBondContact OD1-NZ 3.17Å; D292-K329 IonicContact OD2-NZ 3.1Å; E325-K329 WeakPolarHBondContact O-CG 3.5Å; E325-K329 PolarHBondContact O-N 3Å; I326-K329 PolarHBondContact O-N 2.81Å |
| 330 | V | 89.7 | Confident | 91.5 | Very high | 73 Ų | 73 | 52.3 Ų | 52.3 | 44% | 0.442 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -83.3 | -41.1 | -172.6 | 179.5 | 0 | 0 | 0 | 0 | 112.4 | D292 P294 I326 R327 | D292-V330 WeakPolarHBondContact O-CG2 3.36Å; P294-V330 HydrophobicContact CG-CB 4.44Å; P294-V330 HydrophobicContact CG-CG1 3.8Å; P294-V330 HydrophobicContact CG-CG2 4.4Å; I326-V330 HydrophobicContact CG2-CG2 4.37Å; I326-V330 WeakPolarHBondContact O-CG2 3.42Å; I326-V330 PolarHBondContact O-N 3.28Å; R327-V330 PolarHBondContact O-N 2.8Å |
| 331 | L | 87.8 | Confident | 91.5 | Very high | 69 Ų | 69 | 52.3 Ų | 52.3 | 36% | 0.361 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -103.6 | -13 | -172.6 | -56.3 | 173.2 | 0 | 0 | 0 | 113.2 | R327 H335 D337 | R327-L331 WeakPolarHBondContact O-CB 3.42Å; R327-L331 PolarHBondContact O-N 3.12Å; L331-H335 HydrophobicContact CB-CB 3.7Å; L331-D337 HydrophobicContact CD1-CB 3.67Å |
| 332 | G | 90.1 | Very high | 91.5 | Very high | 32 Ų | 32 | 49.2 Ų | 49.2 | 33% | 0.33 | 24% | 0.242 | S | C | . | . | trans | 87.7 | 158.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113 | E328 D334 H335 V338 | E328-G332 CarbonylContact O-C 3.46Å; E328-G332 WeakPolarHBondContact O-CA 3.48Å; E328-G332 PolarHBondContact O-N 3.23Å; G332-D334 VanDerWaalsContact C-N 3.26Å; G332-D334 PolarHBondContact O-N 3.38Å; G332-H335 PolarHBondContact O-N 3.38Å; G332-V338 VanDerWaalsContact O-CG2 3.31Å; G332-V338 WeakPolarHBondContact O-CG2 3.5Å | ||
| 333 | K | 90.5 | Very high | 91.4 | Very high | 139 Ų | 139 | 46.6 Ų | 46.6 | 60% | 0.604 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -23.4 | -172.2 | -67.4 | -178.3 | -179.9 | 178.6 | 0 | 114.7 | R364 I368 | K333-R364 PolarHBondContact O-NH2 2.86Å; K333-I368 WeakPolarHBondContact O-CD1 3.49Å |
| 334 | D | 90.2 | Very high | 91.2 | Very high | 100 Ų | 100 | 48.8 Ų | 48.8 | 54% | 0.535 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 16.5 | -173.1 | -52.7 | -33.7 | 0 | 0 | 0 | 112.7 | G332 I368 K372 | G332-D334 VanDerWaalsContact C-N 3.26Å; G332-D334 PolarHBondContact O-N 3.38Å; D334-I368 WeakPolarHBondContact O-CG2 3.35Å; D334-K372 VanDerWaalsContact O-CE 3.25Å; D334-K372 WeakPolarHBondContact O-CE 3.42Å; D334-K372 VanDerWaalsContact O-CG 3.25Å; D334-K372 WeakPolarHBondContact O-CG 3.18Å |
| 335 | H | 89.9 | Confident | 91.2 | Very high | 69 Ų | 69 | 48.2 Ų | 48.2 | 32% | 0.319 | 24% | 0.243 | S | C | . | . | trans | -81.1 | 141.2 | -178.6 | -169.4 | -83.1 | 0 | 0 | 0 | 111.5 | L331 G332 D337 V338 A339 | L331-H335 HydrophobicContact CB-CB 3.7Å; G332-H335 PolarHBondContact O-N 3.38Å; H335-D337 WeakPolarHBondContact ND1-CB 3.48Å; H335-D337 PolarHBondContact ND1-N 2.87Å; H335-D337 VanDerWaalsContact ND1-N 3.11Å; H335-D337 PolarHBondContact O-N 3.29Å; H335-D337 VanDerWaalsContact O-N 3.08Å; H335-V338 HydrophobicContact CB-CG2 4.31Å; H335-V338 WeakPolarHBondContact O-CA 3.29Å; H335-V338 VanDerWaalsContact O-CB 3.3Å; H335-V338 WeakPolarHBondContact O-CB 3.24Å; H335-V338 PolarHBondContact O-N 2.96Å; H335-A339 PolarHBondContact O-N 3.44Å | ||
| 336 | P | 90.5 | Very high | 91.1 | Very high | 29 Ų | 29 | 43.1 Ų | 43.1 | 19% | 0.188 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -53.5 | -31.9 | 179.1 | -29.9 | 36.2 | 0 | 0 | 0 | 115.1 | V338 A339 K340 Y369 K372 L373 | P336-V338 VanDerWaalsContact C-N 3.33Å; P336-V338 PolarHBondContact O-N 3.38Å; P336-A339 WeakPolarHBondContact O-CB 3.39Å; P336-A339 PolarHBondContact O-N 3.34Å; P336-K340 PolarHBondContact O-N 2.81Å; P336-Y369 HydrophobicContact CB-CD1 4.4Å; P336-Y369 HydrophobicContact CB-CE1 4.13Å; P336-Y369 WeakPolarHBondContact O-CE1 3.27Å; P336-K372 HydrophobicContact CG-CB 4.06Å; P336-L373 HydrophobicContact CB-CD1 4.31Å; P336-L373 HydrophobicContact CG-CD2 4.13Å; P336-L373 HydrophobicContact CG-CG 4.25Å |
| 337 | D | 87.6 | Confident | 91 | Very high | 31 Ų | 31 | 47 Ų | 47 | 17% | 0.166 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.3 | -27 | 174.2 | -92.6 | 20.8 | 0 | 0 | 0 | 114.3 | R327 L331 H335 Q341 | R327-D337 IonicContact CZ-OD2 3.36Å; R327-D337 VanDerWaalsContact NH1-CB 3.27Å; R327-D337 IonicContact NH1-OD2 3.58Å; R327-D337 PolarHBondContact NH1-OD2 3.09Å; L331-D337 HydrophobicContact CD1-CB 3.67Å; H335-D337 WeakPolarHBondContact ND1-CB 3.48Å; H335-D337 PolarHBondContact ND1-N 2.87Å; H335-D337 VanDerWaalsContact ND1-N 3.11Å; H335-D337 PolarHBondContact O-N 3.29Å; H335-D337 VanDerWaalsContact O-N 3.08Å; D337-Q341 PolarHBondContact O-N 3.08Å; D337-Q341 VanDerWaalsContact O-N 3.15Å |
| 338 | V | 92.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.6 | -43.2 | 170.5 | 174.8 | 0 | 0 | 0 | 0 | 109.2 | L324 R327 E328 G332 H335 P336 K340 Q341 L342 I368 | L324-V338 HydrophobicContact CD1-CG1 3.73Å; R327-V338 HydrophobicContact CB-CG2 4.09Å; E328-V338 HydrophobicContact CG-CG1 3.79Å; E328-V338 HydrophobicContact CG-CG2 4.04Å; G332-V338 VanDerWaalsContact O-CG2 3.31Å; G332-V338 WeakPolarHBondContact O-CG2 3.5Å; H335-V338 HydrophobicContact CB-CG2 4.31Å; H335-V338 WeakPolarHBondContact O-CA 3.29Å; H335-V338 VanDerWaalsContact O-CB 3.3Å; H335-V338 WeakPolarHBondContact O-CB 3.24Å; H335-V338 PolarHBondContact O-N 2.96Å; P336-V338 VanDerWaalsContact C-N 3.33Å; P336-V338 PolarHBondContact O-N 3.38Å; V338-K340 VanDerWaalsContact C-N 3.3Å; V338-K340 PolarHBondContact O-N 3.17Å; V338-Q341 WeakPolarHBondContact O-CB 3.47Å; V338-Q341 PolarHBondContact O-N 3.35Å; V338-Q341 VanDerWaalsContact O-N 3.11Å; V338-L342 HydrophobicContact CG1-CD1 4.03Å; V338-L342 HydrophobicContact CG1-CG 4.36Å; V338-L342 WeakPolarHBondContact O-CG 3.43Å; V338-L342 PolarHBondContact O-N 3.21Å; V338-I368 HydrophobicContact CG1-CD1 4.3Å |
| 339 | A | 93.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60 | -39.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | H335 P336 Q341 L342 N343 A365 I368 Y369 | H335-A339 PolarHBondContact O-N 3.44Å; P336-A339 WeakPolarHBondContact O-CB 3.39Å; P336-A339 PolarHBondContact O-N 3.34Å; A339-Q341 VanDerWaalsContact C-N 3.32Å; A339-Q341 PolarHBondContact O-N 2.91Å; A339-L342 PolarHBondContact O-N 3.27Å; A339-N343 PolarHBondContact O-N 2.7Å; A339-A365 HydrophobicContact CB-CB 4.06Å; A339-I368 HydrophobicContact CB-CB 3.88Å; A339-I368 HydrophobicContact CB-CD1 4.26Å; A339-I368 HydrophobicContact CB-CG2 3.74Å; A339-Y369 HydrophobicContact CB-CD1 3.95Å; A339-Y369 HydrophobicContact CB-CD2 3.93Å; A339-Y369 HydrophobicContact CB-CE1 3.65Å; A339-Y369 HydrophobicContact CB-CE2 3.61Å; A339-Y369 HydrophobicContact CB-CG 4.09Å; A339-Y369 VanDerWaalsContact CB-CZ 3.48Å |
| 340 | K | 90.7 | Very high | 90.6 | Very high | 87 Ų | 87 | 38.2 Ų | 38.2 | 38% | 0.378 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.6 | -40.9 | 174.7 | -169.5 | 175.9 | 178.6 | 178.6 | 0 | 111.6 | P336 V338 N343 N344 Y369 | P336-K340 PolarHBondContact O-N 2.81Å; V338-K340 VanDerWaalsContact C-N 3.3Å; V338-K340 PolarHBondContact O-N 3.17Å; K340-N343 WeakPolarHBondContact O-CB 3.5Å; K340-N343 PolarHBondContact O-N 3.03Å; K340-N344 PolarHBondContact O-N 3.07Å; K340-Y369 WeakPolarHBondContact CA-OH 3.49Å; K340-Y369 WeakPolarHBondContact CB-OH 3.48Å; K340-Y369 PolarHBondContact N-OH 3.14Å |
| 341 | Q | 90.8 | Very high | 90.6 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.009 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.8 | -40.4 | 177.4 | -171.1 | 59.8 | 25.9 | 0 | 0 | 112.1 | N301 C320 L324 D337 V338 A339 N343 N344 L345 | N301-Q341 VanDerWaalsContact CG-OE1 3.31Å; N301-Q341 PolarHBondContact OD1-OE1 3.46Å; C320-Q341 PolarHBondContact O-NE2 3.18Å; C320-Q341 VanDerWaalsContact O-NE2 3.07Å; C320-Q341 PolarHBondContact SG-NE2 3.34Å; L324-Q341 HydrophobicContact CB-CG 3.83Å; L324-Q341 HydrophobicContact CD1-CB 4.01Å; L324-Q341 HydrophobicContact CD1-CG 3.94Å; D337-Q341 PolarHBondContact O-N 3.08Å; D337-Q341 VanDerWaalsContact O-N 3.15Å; V338-Q341 WeakPolarHBondContact O-CB 3.47Å; V338-Q341 PolarHBondContact O-N 3.35Å; V338-Q341 VanDerWaalsContact O-N 3.11Å; A339-Q341 VanDerWaalsContact C-N 3.32Å; A339-Q341 PolarHBondContact O-N 2.91Å; Q341-N343 VanDerWaalsContact C-N 3.32Å; Q341-N343 PolarHBondContact O-N 3.48Å; Q341-N344 PolarHBondContact O-N 3.44Å; Q341-L345 PolarHBondContact O-N 3.23Å |
| 342 | L | 94.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.2 | -42.3 | 173.4 | -73.9 | 167.6 | 0 | 0 | 0 | 111.5 | L324 V338 A339 N344 L345 A346 Y361 R364 A365 I368 | L324-L342 HydrophobicContact CD1-CD2 3.98Å; L324-L342 HydrophobicContact CD1-CG 3.87Å; L324-L342 HydrophobicContact CD2-CD2 3.72Å; V338-L342 HydrophobicContact CG1-CD1 4.03Å; V338-L342 HydrophobicContact CG1-CG 4.36Å; V338-L342 WeakPolarHBondContact O-CG 3.43Å; V338-L342 PolarHBondContact O-N 3.21Å; A339-L342 PolarHBondContact O-N 3.27Å; L342-N344 VanDerWaalsContact C-N 3.34Å; L342-N344 PolarHBondContact O-N 3.37Å; L342-L345 PolarHBondContact O-N 2.91Å; L342-A346 VanDerWaalsContact O-CB 3.32Å; L342-A346 WeakPolarHBondContact O-CB 3.35Å; L342-A346 PolarHBondContact O-N 3Å; L342-Y361 HydrophobicContact CD2-CD1 3.7Å; L342-Y361 HydrophobicContact CD2-CE1 4.46Å; L342-Y361 HydrophobicContact CD2-CG 4.37Å; L342-R364 HydrophobicContact CD1-CB 4.14Å; L342-R364 HydrophobicContact CD1-CG 3.78Å; L342-A365 HydrophobicContact CB-CB 3.99Å; L342-I368 HydrophobicContact CD1-CD1 3.99Å |
| 343 | N | 92 | Very high | 90.5 | Very high | 19 Ų | 19 | 37.3 Ų | 37.3 | 10% | 0.102 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.1 | -43 | 173.9 | -89.5 | -23.9 | 0 | 0 | 0 | 112.9 | A339 K340 Q341 A346 L347 Y362 Y369 T383 | A339-N343 PolarHBondContact O-N 2.7Å; K340-N343 WeakPolarHBondContact O-CB 3.5Å; K340-N343 PolarHBondContact O-N 3.03Å; Q341-N343 VanDerWaalsContact C-N 3.32Å; Q341-N343 PolarHBondContact O-N 3.48Å; N343-A346 PolarHBondContact O-N 3.23Å; N343-L347 PolarHBondContact O-N 3.14Å; N343-Y362 HydrophobicContact CB-CE1 4.43Å; N343-Y362 WeakPolarHBondContact OD1-CD1 3.43Å; N343-Y362 VanDerWaalsContact OD1-CE1 3.23Å; N343-Y362 WeakPolarHBondContact OD1-CE1 3.47Å; N343-Y369 WeakPolarHBondContact ND2-CE2 3.49Å; N343-T383 PolarHBondContact ND2-OG1 3.34Å; N343-T383 WeakPolarHBondContact OD1-CG2 3.25Å |
| 344 | N | 89.9 | Confident | 90.6 | Very high | 46 Ų | 46 | 34 Ų | 34 | 25% | 0.246 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.1 | -41.6 | 177.4 | -69.4 | -18.9 | 0 | 0 | 0 | 111.7 | N301 K340 Q341 L342 L347 L348 | N301-N344 PolarHBondContact ND2-ND2 3.25Å; N301-N344 PolarHBondContact OD1-ND2 3.46Å; K340-N344 PolarHBondContact O-N 3.07Å; Q341-N344 PolarHBondContact O-N 3.44Å; L342-N344 VanDerWaalsContact C-N 3.34Å; L342-N344 PolarHBondContact O-N 3.37Å; N344-L347 PolarHBondContact O-N 3.47Å; N344-L348 WeakPolarHBondContact O-CG 3.47Å; N344-L348 PolarHBondContact O-N 3.27Å; N344-L348 VanDerWaalsContact O-N 3.1Å |
| 345 | L | 92.1 | Very high | 90.6 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.1 | -42.5 | 176.6 | -177 | 63.1 | 0 | 0 | 0 | 111.3 | E317 C320 K321 L324 Q341 L342 L347 L348 C349 Y361 | E317-L345 HydrophobicContact CG-CD1 4.2Å; C320-L345 HydrophobicContact CB-CD1 3.9Å; K321-L345 HydrophobicContact CG-CD1 3.99Å; K321-L345 HydrophobicContact CG-CD2 4.08Å; L324-L345 HydrophobicContact CD2-CD2 4.1Å; Q341-L345 PolarHBondContact O-N 3.23Å; L342-L345 PolarHBondContact O-N 2.91Å; L345-L347 VanDerWaalsContact C-N 3.35Å; L345-L347 PolarHBondContact O-N 2.88Å; L345-L348 WeakPolarHBondContact O-CB 3.46Å; L345-L348 PolarHBondContact O-N 3.07Å; L345-C349 PolarHBondContact O-N 3.09Å; L345-Y361 HydrophobicContact CD2-CD1 4.2Å; L345-Y361 HydrophobicContact CD2-CD2 4.13Å; L345-Y361 HydrophobicContact CD2-CE1 3.76Å; L345-Y361 HydrophobicContact CD2-CE2 3.71Å; L345-Y361 HydrophobicContact CD2-CG 4.38Å; L345-Y361 HydrophobicContact CG-CD2 4.02Å; L345-Y361 HydrophobicContact CG-CE2 3.78Å |
| 346 | A | 92.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.5 | -45 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L342 N343 L348 C349 Q350 V358 Y362 | L342-A346 VanDerWaalsContact O-CB 3.32Å; L342-A346 WeakPolarHBondContact O-CB 3.35Å; L342-A346 PolarHBondContact O-N 3Å; N343-A346 PolarHBondContact O-N 3.23Å; A346-L348 VanDerWaalsContact C-N 3.32Å; A346-L348 PolarHBondContact O-N 3.45Å; A346-C349 PolarHBondContact O-N 3.26Å; A346-Q350 WeakPolarHBondContact O-CB 3.48Å; A346-Q350 PolarHBondContact O-N 3.31Å; A346-V358 HydrophobicContact CB-CG1 4.28Å; A346-V358 WeakPolarHBondContact O-CG2 3.48Å; A346-Y362 HydrophobicContact CB-CD1 3.73Å; A346-Y362 HydrophobicContact CB-CD2 3.94Å; A346-Y362 HydrophobicContact CB-CE1 3.5Å; A346-Y362 HydrophobicContact CB-CE2 3.74Å; A346-Y362 HydrophobicContact CB-CG 3.92Å; A346-Y362 VanDerWaalsContact CB-CZ 3.48Å |
| 347 | L | 89.9 | Confident | 90.5 | Very high | 83 Ų | 83 | 39.4 Ų | 39.4 | 44% | 0.435 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.9 | -39.5 | 176.3 | -175.6 | 63.9 | 0 | 0 | 0 | 112.4 | N343 N344 L345 Q350 N351 | N343-L347 PolarHBondContact O-N 3.14Å; N344-L347 PolarHBondContact O-N 3.47Å; L345-L347 VanDerWaalsContact C-N 3.35Å; L345-L347 PolarHBondContact O-N 2.88Å; L347-Q350 PolarHBondContact O-N 3.2Å; L347-N351 PolarHBondContact O-N 2.98Å; L347-N351 PolarHBondContact O-ND2 3.47Å |
| 348 | L | 89.9 | Confident | 90.8 | Very high | 13 Ų | 13 | 38 Ų | 38 | 7% | 0.068 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.2 | -45.4 | 175.4 | -72.1 | 173.7 | 0 | 0 | 0 | 111.9 | A304 Y313 A316 C320 N344 L345 A346 Q350 N351 Q352 | A304-L348 HydrophobicContact CB-CD1 4.32Å; Y313-L348 HydrophobicContact CD1-CD2 3.98Å; A316-L348 HydrophobicContact CB-CD1 3.89Å; A316-L348 HydrophobicContact CB-CD2 3.79Å; A316-L348 HydrophobicContact CB-CG 4.49Å; C320-L348 HydrophobicContact CB-CD1 3.84Å; C320-L348 VanDerWaalsContact SG-CD1 3.55Å; N344-L348 WeakPolarHBondContact O-CG 3.47Å; N344-L348 PolarHBondContact O-N 3.27Å; N344-L348 VanDerWaalsContact O-N 3.1Å; L345-L348 WeakPolarHBondContact O-CB 3.46Å; L345-L348 PolarHBondContact O-N 3.07Å; A346-L348 VanDerWaalsContact C-N 3.32Å; A346-L348 PolarHBondContact O-N 3.45Å; L348-Q350 VanDerWaalsContact C-N 3.3Å; L348-Q350 PolarHBondContact O-N 3.38Å; L348-N351 PolarHBondContact O-N 3.36Å; L348-Q352 WeakPolarHBondContact O-CG 3.24Å; L348-Q352 PolarHBondContact O-N 3.38Å |
| 349 | C | 90.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.9 | -34.1 | 176.5 | -71 | 0 | 0 | 0 | 0 | 111.9 | L345 A346 N351 Q352 G353 K354 E357 V358 | L345-C349 PolarHBondContact O-N 3.09Å; A346-C349 PolarHBondContact O-N 3.26Å; C349-N351 VanDerWaalsContact C-N 3.34Å; C349-N351 PolarHBondContact O-N 3.38Å; C349-Q352 CarbonylContact O-C 3.57Å; C349-Q352 WeakPolarHBondContact O-CB 3.32Å; C349-Q352 PolarHBondContact O-N 3.36Å; C349-Q352 VanDerWaalsContact O-N 3.08Å; C349-G353 PolarHBondContact O-N 3.24Å; C349-K354 HydrophobicContact CB-CB 4.21Å; C349-K354 PolarHBondContact O-N 3.02Å; C349-K354 VanDerWaalsContact O-N 3.08Å; C349-E357 PolarHBondContact SG-OE2 3.06Å; C349-V358 HydrophobicContact CB-CG2 3.63Å |
| 350 | Q | 89.1 | Confident | 90.8 | Very high | 9 Ų | 9 | 46 Ų | 46 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.9 | -39.5 | 177.2 | -166.8 | -172.2 | 21.2 | 0 | 0 | 111.7 | A346 L347 L348 Q352 G353 Y355 V358 K393 | A346-Q350 WeakPolarHBondContact O-CB 3.48Å; A346-Q350 PolarHBondContact O-N 3.31Å; L347-Q350 PolarHBondContact O-N 3.2Å; L348-Q350 VanDerWaalsContact C-N 3.3Å; L348-Q350 PolarHBondContact O-N 3.38Å; Q350-Q352 PolarHBondContact O-N 3.12Å; Q350-G353 PolarHBondContact O-N 2.85Å; Q350-G353 VanDerWaalsContact O-N 3.16Å; Q350-Y355 HydrophobicContact CG-CE1 4.41Å; Q350-V358 HydrophobicContact CB-CG1 4.15Å; Q350-V358 HydrophobicContact CB-CG2 3.83Å; Q350-V358 HydrophobicContact CG-CG1 4.46Å; Q350-K393 HydrophobicContact CG-CD 4.22Å |
| 351 | N | 88.3 | Confident | 91 | Very high | 66 Ų | 66 | 43.2 Ų | 43.2 | 35% | 0.353 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -71.6 | -16.8 | 176.1 | -68.1 | -29.3 | 0 | 0 | 0 | 113.1 | Y313 L347 L348 C349 | Y313-N351 HydrophobicContact CD1-CB 3.83Å; Y313-N351 HydrophobicContact CD2-CB 3.99Å; Y313-N351 HydrophobicContact CE1-CB 3.65Å; Y313-N351 WeakPolarHBondContact CE1-ND2 3.33Å; Y313-N351 HydrophobicContact CE2-CB 3.81Å; Y313-N351 HydrophobicContact CG-CB 3.99Å; L347-N351 PolarHBondContact O-N 2.98Å; L347-N351 PolarHBondContact O-ND2 3.47Å; L348-N351 PolarHBondContact O-N 3.36Å; C349-N351 VanDerWaalsContact C-N 3.34Å; C349-N351 PolarHBondContact O-N 3.38Å |
| 352 | Q | 88.8 | Confident | 91.2 | Very high | 52 Ų | 52 | 43.1 Ų | 43.1 | 24% | 0.243 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -6.3 | 171.8 | -63.7 | -177 | 56.4 | 0 | 0 | 113.3 | Y313 E317 L348 C349 Q350 K354 | Y313-Q352 HydrophobicContact CG-CG 4.47Å; Y313-Q352 PolarHBondContact O-NE2 2.86Å; E317-Q352 PolarHBondContact OE2-NE2 3.05Å; E317-Q352 PolarHBondContact OE2-OE1 3.4Å; L348-Q352 WeakPolarHBondContact O-CG 3.24Å; L348-Q352 PolarHBondContact O-N 3.38Å; C349-Q352 CarbonylContact O-C 3.57Å; C349-Q352 WeakPolarHBondContact O-CB 3.32Å; C349-Q352 PolarHBondContact O-N 3.36Å; C349-Q352 VanDerWaalsContact O-N 3.08Å; Q350-Q352 PolarHBondContact O-N 3.12Å; Q352-K354 VanDerWaalsContact C-N 3.34Å; Q352-K354 HydrophobicContact CB-CD 4.36Å; Q352-K354 HydrophobicContact CB-CG 4.2Å |
| 353 | G | 88.3 | Confident | 91.2 | Very high | 37 Ų | 37 | 47.2 Ų | 47.2 | 38% | 0.381 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 13.5 | -176 | 0 | 0 | 0 | 0 | 0 | 114.9 | C349 Q350 Y355 | C349-G353 PolarHBondContact O-N 3.24Å; Q350-G353 PolarHBondContact O-N 2.85Å; Q350-G353 VanDerWaalsContact O-N 3.16Å; G353-Y355 VanDerWaalsContact C-N 3.27Å; G353-Y355 WeakPolarHBondContact O-CD2 3.18Å; G353-Y355 PolarHBondContact O-N 3.2Å |
| 354 | K | 91.9 | Very high | 91.3 | Very high | 69 Ų | 69 | 48.5 Ų | 48.5 | 30% | 0.3 | 23% | 0.231 | S | C | . | . | trans | -82.9 | 65.9 | 178.6 | -64.3 | 175.8 | 174.1 | -175.7 | 0 | 111.2 | E317 C349 Q352 E356 E357 V358 | E317-K354 VanDerWaalsContact CD-NZ 3.33Å; E317-K354 IonicContact OE1-NZ 2.63Å; E317-K354 PolarHBondContact OE1-NZ 3.28Å; E317-K354 VanDerWaalsContact OE1-NZ 3.13Å; E317-K354 IonicContact OE2-NZ 3.84Å; E317-K354 PolarHBondContact OE2-NZ 3Å; C349-K354 HydrophobicContact CB-CB 4.21Å; C349-K354 PolarHBondContact O-N 3.02Å; C349-K354 VanDerWaalsContact O-N 3.08Å; Q352-K354 VanDerWaalsContact C-N 3.34Å; Q352-K354 HydrophobicContact CB-CD 4.36Å; Q352-K354 HydrophobicContact CB-CG 4.2Å; K354-E356 VanDerWaalsContact C-N 3.34Å; K354-E356 PolarHBondContact O-N 2.8Å; K354-E357 HydrophobicContact CB-CB 4.46Å; K354-E357 PolarHBondContact O-N 2.88Å; K354-V358 WeakPolarHBondContact O-CG2 3.2Å; K354-V358 PolarHBondContact O-N 3.46Å | ||
| 355 | Y | 89.5 | Confident | 91.5 | Very high | 78 Ų | 78 | 46.3 Ų | 46.3 | 31% | 0.306 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.6 | -30.7 | -166.1 | -66.2 | -65.9 | 0 | 0 | 0 | 115.5 | Q350 G353 V358 E359 K393 Q394 | Q350-Y355 HydrophobicContact CG-CE1 4.41Å; G353-Y355 VanDerWaalsContact C-N 3.27Å; G353-Y355 WeakPolarHBondContact O-CD2 3.18Å; G353-Y355 PolarHBondContact O-N 3.2Å; Y355-V358 WeakPolarHBondContact O-CB 3.34Å; Y355-V358 PolarHBondContact O-N 3.37Å; Y355-E359 PolarHBondContact O-N 3.17Å; Y355-E359 VanDerWaalsContact O-N 3.1Å; Y355-K393 HydrophobicContact CE1-CB 3.81Å; Y355-K393 HydrophobicContact CE1-CD 4.29Å; Y355-Q394 HydrophobicContact CD1-CG 3.77Å; Y355-Q394 HydrophobicContact CD2-CG 4.23Å; Y355-Q394 HydrophobicContact CE1-CG 4.44Å; Y355-Q394 HydrophobicContact CG-CG 3.65Å |
| 356 | E | 89.1 | Confident | 91.6 | Very high | 174 Ų | 174 | 47.4 Ų | 47.4 | 81% | 0.813 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -65.7 | -46 | 177.3 | -66.3 | 170.1 | -176.2 | 0 | 0 | 111.7 | K354 V358 E359 Y360 | K354-E356 VanDerWaalsContact C-N 3.34Å; K354-E356 PolarHBondContact O-N 2.8Å; E356-V358 VanDerWaalsContact C-N 3.27Å; E356-V358 PolarHBondContact O-N 3.23Å; E356-E359 PolarHBondContact O-N 2.99Å; E356-Y360 PolarHBondContact O-N 3.22Å; E356-Y360 VanDerWaalsContact O-N 3.15Å |
| 357 | E | 90.6 | Very high | 91.6 | Very high | 61 Ų | 61 | 53.4 Ų | 53.4 | 29% | 0.285 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62 | -37.4 | 175.3 | -68 | -174.2 | -145.9 | 0 | 0 | 111.7 | C349 K354 Y360 Y361 | C349-E357 PolarHBondContact SG-OE2 3.06Å; K354-E357 HydrophobicContact CB-CB 4.46Å; K354-E357 PolarHBondContact O-N 2.88Å; E357-Y360 PolarHBondContact O-N 3.08Å; E357-Y361 HydrophobicContact CB-CD2 4.32Å; E357-Y361 HydrophobicContact CB-CE2 3.81Å; E357-Y361 WeakPolarHBondContact O-CD2 3.34Å; E357-Y361 VanDerWaalsContact O-CG 3.27Å; E357-Y361 PolarHBondContact O-N 3.22Å |
| 358 | V | 92.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.3 | -44.2 | 179.9 | 178.3 | 0 | 0 | 0 | 0 | 111.2 | A346 C349 Q350 K354 Y355 E356 Y361 Y362 C390 | A346-V358 HydrophobicContact CB-CG1 4.28Å; A346-V358 WeakPolarHBondContact O-CG2 3.48Å; C349-V358 HydrophobicContact CB-CG2 3.63Å; Q350-V358 HydrophobicContact CB-CG1 4.15Å; Q350-V358 HydrophobicContact CB-CG2 3.83Å; Q350-V358 HydrophobicContact CG-CG1 4.46Å; K354-V358 WeakPolarHBondContact O-CG2 3.2Å; K354-V358 PolarHBondContact O-N 3.46Å; Y355-V358 WeakPolarHBondContact O-CB 3.34Å; Y355-V358 PolarHBondContact O-N 3.37Å; E356-V358 VanDerWaalsContact C-N 3.27Å; E356-V358 PolarHBondContact O-N 3.23Å; V358-Y361 PolarHBondContact O-N 3.21Å; V358-Y362 HydrophobicContact CG1-CD2 3.48Å; V358-Y362 VanDerWaalsContact CG1-CD2 3.48Å; V358-Y362 HydrophobicContact CG1-CE2 3.37Å; V358-Y362 WeakPolarHBondContact O-CB 3.34Å; V358-Y362 WeakPolarHBondContact O-CD2 3.18Å; V358-Y362 PolarHBondContact O-N 3.44Å; V358-C390 HydrophobicContact CG1-CB 3.97Å; V358-C390 WeakPolarHBondContact CG1-SG 3.35Å |
| 359 | E | 92 | Very high | 92 | Very high | 39 Ų | 39 | 49.5 Ų | 49.5 | 18% | 0.182 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.9 | -47.8 | 177 | -174.4 | 171.1 | 162.4 | 0 | 0 | 110.5 | Y355 E356 Y361 Y362 Q363 L387 Y391 K396 | Y355-E359 PolarHBondContact O-N 3.17Å; Y355-E359 VanDerWaalsContact O-N 3.1Å; E356-E359 PolarHBondContact O-N 2.99Å; E359-Y361 PolarHBondContact O-N 3.05Å; E359-Y362 PolarHBondContact O-N 3.32Å; E359-Q363 WeakPolarHBondContact O-CB 3.45Å; E359-Q363 VanDerWaalsContact O-CG 3.27Å; E359-Q363 WeakPolarHBondContact O-CG 3.14Å; E359-Q363 PolarHBondContact O-N 3.37Å; E359-Q363 PolarHBondContact OE1-NE2 3.33Å; E359-L387 HydrophobicContact CG-CD1 4.41Å; E359-Y391 HydrophobicContact CG-CE1 4.08Å; E359-Y391 PolarHBondContact OE1-OH 2.93Å; E359-K396 IonicContact OE2-NZ 2.68Å; E359-K396 PolarHBondContact OE2-NZ 3.08Å |
| 360 | Y | 93.8 | Very high | 92.1 | Very high | 131 Ų | 131 | 52.8 Ų | 52.8 | 51% | 0.514 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -57.1 | -50.4 | 175.8 | 173.1 | -104.1 | 0 | 0 | 0 | 112.7 | E356 E357 Y362 Q363 R364 | E356-Y360 PolarHBondContact O-N 3.22Å; E356-Y360 VanDerWaalsContact O-N 3.15Å; E357-Y360 PolarHBondContact O-N 3.08Å; Y360-Y362 PolarHBondContact O-N 2.89Å; Y360-Q363 PolarHBondContact O-N 3.07Å; Y360-R364 WeakPolarHBondContact O-CB 3.49Å; Y360-R364 PolarHBondContact O-N 3.29Å |
| 361 | Y | 94.9 | Very high | 92.2 | Very high | 27 Ų | 27 | 57.3 Ų | 57.3 | 11% | 0.106 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.4 | -39.6 | -178.1 | -64.3 | -43.8 | 0 | 0 | 0 | 112.8 | L342 L345 E357 V358 E359 A365 | L342-Y361 HydrophobicContact CD2-CD1 3.7Å; L342-Y361 HydrophobicContact CD2-CE1 4.46Å; L342-Y361 HydrophobicContact CD2-CG 4.37Å; L345-Y361 HydrophobicContact CD2-CD1 4.2Å; L345-Y361 HydrophobicContact CD2-CD2 4.13Å; L345-Y361 HydrophobicContact CD2-CE1 3.76Å; L345-Y361 HydrophobicContact CD2-CE2 3.71Å; L345-Y361 HydrophobicContact CD2-CG 4.38Å; L345-Y361 HydrophobicContact CG-CD2 4.02Å; L345-Y361 HydrophobicContact CG-CE2 3.78Å; E357-Y361 HydrophobicContact CB-CD2 4.32Å; E357-Y361 HydrophobicContact CB-CE2 3.81Å; E357-Y361 WeakPolarHBondContact O-CD2 3.34Å; E357-Y361 VanDerWaalsContact O-CG 3.27Å; E357-Y361 PolarHBondContact O-N 3.22Å; V358-Y361 PolarHBondContact O-N 3.21Å; E359-Y361 PolarHBondContact O-N 3.05Å; Y361-A365 WeakPolarHBondContact O-CB 3.32Å; Y361-A365 PolarHBondContact O-N 3.1Å |
| 362 | Y | 94.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 59.8 Ų | 59.8 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.2 | -38.6 | 177.4 | -80.5 | -43 | 0 | 0 | 0 | 112.7 | N343 A346 V358 E359 Y360 A365 L366 T383 N386 L387 | N343-Y362 HydrophobicContact CB-CE1 4.43Å; N343-Y362 WeakPolarHBondContact OD1-CD1 3.43Å; N343-Y362 VanDerWaalsContact OD1-CE1 3.23Å; N343-Y362 WeakPolarHBondContact OD1-CE1 3.47Å; A346-Y362 HydrophobicContact CB-CD1 3.73Å; A346-Y362 HydrophobicContact CB-CD2 3.94Å; A346-Y362 HydrophobicContact CB-CE1 3.5Å; A346-Y362 HydrophobicContact CB-CE2 3.74Å; A346-Y362 HydrophobicContact CB-CG 3.92Å; A346-Y362 VanDerWaalsContact CB-CZ 3.48Å; V358-Y362 HydrophobicContact CG1-CD2 3.48Å; V358-Y362 VanDerWaalsContact CG1-CD2 3.48Å; V358-Y362 HydrophobicContact CG1-CE2 3.37Å; V358-Y362 WeakPolarHBondContact O-CB 3.34Å; V358-Y362 WeakPolarHBondContact O-CD2 3.18Å; V358-Y362 PolarHBondContact O-N 3.44Å; E359-Y362 PolarHBondContact O-N 3.32Å; Y360-Y362 PolarHBondContact O-N 2.89Å; Y362-A365 PolarHBondContact O-N 3.29Å; Y362-L366 WeakPolarHBondContact O-CB 3.11Å; Y362-L366 PolarHBondContact O-N 3.35Å; Y362-T383 HydrophobicContact CD1-CG2 4.14Å; Y362-N386 HydrophobicContact CD1-CB 4.34Å; Y362-N386 HydrophobicContact CE1-CB 3.65Å; Y362-N386 HydrophobicContact CE2-CB 4.11Å; Y362-L387 HydrophobicContact CD2-CB 4.32Å; Y362-L387 HydrophobicContact CD2-CD1 4.26Å; Y362-L387 HydrophobicContact CG-CB 4.34Å |
| 363 | Q | 93.9 | Very high | 92.3 | Very high | 86 Ų | 86 | 60.9 Ų | 60.9 | 40% | 0.402 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.5 | -46.4 | 174.7 | -75.7 | 173.7 | -3 | 0 | 0 | 110.9 | E359 Y360 A365 L366 E367 L387 | E359-Q363 WeakPolarHBondContact O-CB 3.45Å; E359-Q363 VanDerWaalsContact O-CG 3.27Å; E359-Q363 WeakPolarHBondContact O-CG 3.14Å; E359-Q363 PolarHBondContact O-N 3.37Å; E359-Q363 PolarHBondContact OE1-NE2 3.33Å; Y360-Q363 PolarHBondContact O-N 3.07Å; Q363-A365 PolarHBondContact O-N 3.23Å; Q363-L366 WeakPolarHBondContact O-CB 3.38Å; Q363-L366 PolarHBondContact O-N 2.73Å; Q363-E367 PolarHBondContact O-N 3.36Å; Q363-L387 HydrophobicContact CG-CD2 4.4Å |
| 364 | R | 94.6 | Very high | 92.3 | Very high | 45 Ų | 45 | 60.1 Ų | 60.1 | 17% | 0.17 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 176 | -171 | 179.7 | 168.9 | -147.9 | -11.1 | 112.4 | E328 K333 L342 Y360 L366 I368 | E328-R364 IonicContact OE1-CZ 2.76Å; E328-R364 IonicContact OE1-NH1 3.23Å; E328-R364 PolarHBondContact OE1-NH1 2.81Å; E328-R364 IonicContact OE1-NH2 3.39Å; E328-R364 PolarHBondContact OE1-NH2 3.37Å; K333-R364 PolarHBondContact O-NH2 2.86Å; L342-R364 HydrophobicContact CD1-CB 4.14Å; L342-R364 HydrophobicContact CD1-CG 3.78Å; Y360-R364 WeakPolarHBondContact O-CB 3.49Å; Y360-R364 PolarHBondContact O-N 3.29Å; R364-L366 VanDerWaalsContact C-N 3.34Å; R364-I368 HydrophobicContact CG-CD1 4.37Å; R364-I368 VanDerWaalsContact O-CG1 3.31Å; R364-I368 WeakPolarHBondContact O-CG1 3.44Å; R364-I368 PolarHBondContact O-N 2.99Å |
| 365 | A | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.4 | -39.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A339 L342 Y361 Y362 Q363 Y369 T383 | A339-A365 HydrophobicContact CB-CB 4.06Å; L342-A365 HydrophobicContact CB-CB 3.99Å; Y361-A365 WeakPolarHBondContact O-CB 3.32Å; Y361-A365 PolarHBondContact O-N 3.1Å; Y362-A365 PolarHBondContact O-N 3.29Å; Q363-A365 PolarHBondContact O-N 3.23Å; A365-Y369 WeakPolarHBondContact O-CD2 3.46Å; A365-Y369 PolarHBondContact O-N 2.88Å; A365-Y369 VanDerWaalsContact O-N 3.07Å; A365-T383 HydrophobicContact CB-CG2 4.16Å |
| 366 | L | 93.7 | Very high | 91.7 | Very high | 25 Ų | 25 | 59.9 Ų | 59.9 | 13% | 0.131 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.5 | -48.4 | 177.4 | -170.5 | 94.1 | 0 | 0 | 0 | 111.4 | Y362 Q363 R364 I368 Y369 Q370 V380 T383 K384 | Y362-L366 WeakPolarHBondContact O-CB 3.11Å; Y362-L366 PolarHBondContact O-N 3.35Å; Q363-L366 WeakPolarHBondContact O-CB 3.38Å; Q363-L366 PolarHBondContact O-N 2.73Å; R364-L366 VanDerWaalsContact C-N 3.34Å; L366-I368 VanDerWaalsContact C-N 3.32Å; L366-I368 PolarHBondContact O-N 3.46Å; L366-Y369 PolarHBondContact O-N 3.46Å; L366-Q370 HydrophobicContact CG-CG 4.3Å; L366-Q370 WeakPolarHBondContact O-CB 3.43Å; L366-Q370 VanDerWaalsContact O-CG 3.31Å; L366-Q370 WeakPolarHBondContact O-CG 3.05Å; L366-Q370 PolarHBondContact O-N 3.48Å; L366-V380 HydrophobicContact CD1-CG1 4.11Å; L366-T383 HydrophobicContact CB-CG2 4.2Å; L366-T383 HydrophobicContact CD1-CG2 4.25Å; L366-K384 HydrophobicContact CD1-CB 4.45Å; L366-K384 HydrophobicContact CD1-CD 4.26Å; L366-K384 HydrophobicContact CD1-CG 3.32Å |
| 367 | E | 93.9 | Very high | 91.6 | Very high | 125 Ų | 125 | 53.2 Ų | 53.2 | 58% | 0.584 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -57 | -45.7 | 179.4 | -178.4 | 178.9 | -165.1 | 0 | 0 | 111.5 | Q363 Q370 T371 | Q363-E367 PolarHBondContact O-N 3.36Å; E367-Q370 PolarHBondContact O-N 2.95Å; E367-T371 WeakPolarHBondContact O-CB 3.37Å; E367-T371 PolarHBondContact O-N 3.5Å; E367-T371 PolarHBondContact O-OG1 2.98Å |
| 368 | I | 93.9 | Very high | 91.4 | Very high | 6 Ų | 6 | 53.9 Ų | 53.9 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62 | -49 | 177.1 | -66.7 | 168.2 | 0 | 0 | 0 | 110.9 | K333 D334 V338 A339 L342 R364 L366 Q370 T371 K372 | K333-I368 WeakPolarHBondContact O-CD1 3.49Å; D334-I368 WeakPolarHBondContact O-CG2 3.35Å; V338-I368 HydrophobicContact CG1-CD1 4.3Å; A339-I368 HydrophobicContact CB-CB 3.88Å; A339-I368 HydrophobicContact CB-CD1 4.26Å; A339-I368 HydrophobicContact CB-CG2 3.74Å; L342-I368 HydrophobicContact CD1-CD1 3.99Å; R364-I368 HydrophobicContact CG-CD1 4.37Å; R364-I368 VanDerWaalsContact O-CG1 3.31Å; R364-I368 WeakPolarHBondContact O-CG1 3.44Å; R364-I368 PolarHBondContact O-N 2.99Å; L366-I368 VanDerWaalsContact C-N 3.32Å; L366-I368 PolarHBondContact O-N 3.46Å; I368-Q370 PolarHBondContact O-N 3.29Å; I368-T371 PolarHBondContact O-N 2.71Å; I368-K372 HydrophobicContact CG2-CG 4.45Å; I368-K372 WeakPolarHBondContact O-CB 3.37Å; I368-K372 WeakPolarHBondContact O-CG 3.28Å; I368-K372 PolarHBondContact O-N 3.23Å |
| 369 | Y | 93.9 | Very high | 91.3 | Very high | 8 Ų | 8 | 56.4 Ų | 56.4 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.5 | -41.8 | -179.5 | -73.5 | -44.9 | 0 | 0 | 0 | 112.6 | P336 A339 K340 N343 A365 L366 L373 G374 N379 | P336-Y369 HydrophobicContact CB-CD1 4.4Å; P336-Y369 HydrophobicContact CB-CE1 4.13Å; P336-Y369 WeakPolarHBondContact O-CE1 3.27Å; A339-Y369 HydrophobicContact CB-CD1 3.95Å; A339-Y369 HydrophobicContact CB-CD2 3.93Å; A339-Y369 HydrophobicContact CB-CE1 3.65Å; A339-Y369 HydrophobicContact CB-CE2 3.61Å; A339-Y369 HydrophobicContact CB-CG 4.09Å; A339-Y369 VanDerWaalsContact CB-CZ 3.48Å; K340-Y369 WeakPolarHBondContact CA-OH 3.49Å; K340-Y369 WeakPolarHBondContact CB-OH 3.48Å; K340-Y369 PolarHBondContact N-OH 3.14Å; N343-Y369 WeakPolarHBondContact ND2-CE2 3.49Å; A365-Y369 WeakPolarHBondContact O-CD2 3.46Å; A365-Y369 PolarHBondContact O-N 2.88Å; A365-Y369 VanDerWaalsContact O-N 3.07Å; L366-Y369 PolarHBondContact O-N 3.46Å; Y369-L373 HydrophobicContact CD1-CD1 3.49Å; Y369-L373 VanDerWaalsContact CD1-CD1 3.49Å; Y369-L373 HydrophobicContact CD1-CG 4.4Å; Y369-L373 HydrophobicContact CE1-CD1 4Å; Y369-L373 HydrophobicContact CG-CD1 4.45Å; Y369-L373 WeakPolarHBondContact O-CA 3.2Å; Y369-L373 WeakPolarHBondContact O-CB 3.37Å; Y369-L373 PolarHBondContact O-N 3.01Å; Y369-G374 PolarHBondContact O-N 3.18Å; Y369-N379 HydrophobicContact CD1-CB 4.13Å; Y369-N379 HydrophobicContact CD2-CB 3.99Å; Y369-N379 HydrophobicContact CE1-CB 3.97Å; Y369-N379 HydrophobicContact CE2-CB 3.83Å; Y369-N379 HydrophobicContact CG-CB 4.13Å |
| 370 | Q | 91.7 | Very high | 91.2 | Very high | 70 Ų | 70 | 54.7 Ų | 54.7 | 33% | 0.327 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 177.7 | -74.5 | 176.8 | -38.3 | 0 | 0 | 111.8 | L366 E367 I368 G374 V380 | L366-Q370 HydrophobicContact CG-CG 4.3Å; L366-Q370 WeakPolarHBondContact O-CB 3.43Å; L366-Q370 VanDerWaalsContact O-CG 3.31Å; L366-Q370 WeakPolarHBondContact O-CG 3.05Å; L366-Q370 PolarHBondContact O-N 3.48Å; E367-Q370 PolarHBondContact O-N 2.95Å; I368-Q370 PolarHBondContact O-N 3.29Å; Q370-G374 VanDerWaalsContact O-CA 3.28Å; Q370-G374 WeakPolarHBondContact O-CA 3.39Å; Q370-G374 PolarHBondContact O-N 3.43Å; Q370-V380 HydrophobicContact CG-CG1 3.99Å; Q370-V380 HydrophobicContact CG-CG2 4.05Å |
| 371 | T | 91.3 | Very high | 91.1 | Very high | 104 Ų | 104 | 49.6 Ų | 49.6 | 64% | 0.638 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -74.2 | -36.6 | -177.1 | -52.1 | 0 | 0 | 0 | 0 | 112.4 | E367 I368 | E367-T371 WeakPolarHBondContact O-CB 3.37Å; E367-T371 PolarHBondContact O-N 3.5Å; E367-T371 PolarHBondContact O-OG1 2.98Å; I368-T371 PolarHBondContact O-N 2.71Å |
| 372 | K | 91.3 | Very high | 90.9 | Very high | 118 Ų | 118 | 52.9 Ų | 52.9 | 51% | 0.513 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -96.8 | -36.6 | -173.4 | -62.8 | -59.2 | -176.1 | -177.9 | 0 | 115.1 | D334 P336 I368 | D334-K372 VanDerWaalsContact O-CE 3.25Å; D334-K372 WeakPolarHBondContact O-CE 3.42Å; D334-K372 VanDerWaalsContact O-CG 3.25Å; D334-K372 WeakPolarHBondContact O-CG 3.18Å; P336-K372 HydrophobicContact CG-CB 4.06Å; I368-K372 HydrophobicContact CG2-CG 4.45Å; I368-K372 WeakPolarHBondContact O-CB 3.37Å; I368-K372 WeakPolarHBondContact O-CG 3.28Å; I368-K372 PolarHBondContact O-N 3.23Å |
| 373 | L | 87.4 | Confident | 90.8 | Very high | 74 Ų | 74 | 52.9 Ų | 52.9 | 39% | 0.387 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -106.5 | -13.4 | -176.6 | -57.6 | 175.4 | 0 | 0 | 0 | 112.3 | P336 Y369 D377 | P336-L373 HydrophobicContact CB-CD1 4.31Å; P336-L373 HydrophobicContact CG-CD2 4.13Å; P336-L373 HydrophobicContact CG-CG 4.25Å; Y369-L373 HydrophobicContact CD1-CD1 3.49Å; Y369-L373 VanDerWaalsContact CD1-CD1 3.49Å; Y369-L373 HydrophobicContact CD1-CG 4.4Å; Y369-L373 HydrophobicContact CE1-CD1 4Å; Y369-L373 HydrophobicContact CG-CD1 4.45Å; Y369-L373 WeakPolarHBondContact O-CA 3.2Å; Y369-L373 WeakPolarHBondContact O-CB 3.37Å; Y369-L373 PolarHBondContact O-N 3.01Å; L373-D377 HydrophobicContact CB-CB 3.66Å; L373-D377 HydrophobicContact CD1-CB 4.36Å |
| 374 | G | 87.9 | Confident | 90.8 | Very high | 21 Ų | 21 | 50 Ų | 50 | 22% | 0.216 | 27% | 0.265 | C | S | . | . | trans | 87.5 | 166.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y369 Q370 D376 D377 V380 | Y369-G374 PolarHBondContact O-N 3.18Å; Q370-G374 VanDerWaalsContact O-CA 3.28Å; Q370-G374 WeakPolarHBondContact O-CA 3.39Å; Q370-G374 PolarHBondContact O-N 3.43Å; G374-D376 VanDerWaalsContact C-N 3.26Å; G374-D376 PolarHBondContact O-N 3.26Å; G374-D377 PolarHBondContact O-N 3.36Å; G374-V380 WeakPolarHBondContact O-CG2 3.44Å | ||
| 375 | P | 84.8 | Confident | 90.8 | Very high | 73 Ų | 73 | 48.4 Ų | 48.4 | 47% | 0.474 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -16.7 | -174.4 | 27.7 | -34.9 | 0 | 0 | 0 | 114.4 | ||
| 376 | D | 84.3 | Confident | 90.7 | Very high | 69 Ų | 69 | 51.6 Ų | 51.6 | 37% | 0.369 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -14.5 | 178.7 | -91.2 | -46.4 | 0 | 0 | 0 | 114.5 | G374 R410 R414 | G374-D376 VanDerWaalsContact C-N 3.26Å; G374-D376 PolarHBondContact O-N 3.26Å; D376-R410 VanDerWaalsContact CG-CZ 3.41Å; D376-R410 VanDerWaalsContact CG-NH1 3.28Å; D376-R410 IonicContact OD1-CZ 2.69Å; D376-R410 IonicContact OD1-NH1 2.73Å; D376-R410 PolarHBondContact OD1-NH1 2.93Å; D376-R410 IonicContact OD1-NH2 2.65Å; D376-R410 PolarHBondContact OD1-NH2 2.87Å; D376-R410 IonicContact OD2-CZ 2.97Å; D376-R410 IonicContact OD2-NH1 3.84Å; D376-R410 PolarHBondContact OD2-NH1 3.32Å; D376-R410 IonicContact OD2-NH2 3.11Å; D376-R410 PolarHBondContact OD2-NH2 2.89Å; D376-R414 WeakPolarHBondContact OD1-CD 3.3Å |
| 377 | D | 87.2 | Confident | 90.7 | Very high | 35 Ų | 35 | 50.7 Ų | 50.7 | 19% | 0.187 | 27% | 0.273 | C | S | . | . | trans | -64.4 | 135.9 | -170.2 | -177.1 | -93.1 | 0 | 0 | 0 | 111.6 | L373 G374 N379 V380 A381 | L373-D377 HydrophobicContact CB-CB 3.66Å; L373-D377 HydrophobicContact CD1-CB 4.36Å; G374-D377 PolarHBondContact O-N 3.36Å; D377-N379 PolarHBondContact O-N 3.46Å; D377-N379 WeakPolarHBondContact OD1-CA 3.49Å; D377-N379 WeakPolarHBondContact OD1-CB 3.49Å; D377-N379 VanDerWaalsContact OD1-CG 3.25Å; D377-N379 PolarHBondContact OD1-N 3.02Å; D377-N379 PolarHBondContact OD1-ND2 2.98Å; D377-V380 HydrophobicContact CB-CG2 4.26Å; D377-V380 WeakPolarHBondContact O-CB 3.44Å; D377-V380 PolarHBondContact O-N 2.96Å; D377-A381 PolarHBondContact O-N 3.42Å | ||
| 378 | P | 87.5 | Confident | 90.7 | Very high | 75 Ų | 75 | 44.8 Ų | 44.8 | 49% | 0.487 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -55.6 | -27.6 | 178.6 | -27.8 | 35.3 | 0 | 0 | 0 | 114.3 | A381 K382 | P378-A381 PolarHBondContact O-N 3Å; P378-K382 VanDerWaalsContact O-CG 3.28Å; P378-K382 WeakPolarHBondContact O-CG 3.35Å; P378-K382 PolarHBondContact O-N 2.91Å |
| 379 | N | 89.1 | Confident | 90.6 | Very high | 52 Ų | 52 | 46.5 Ų | 46.5 | 28% | 0.278 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -73.1 | -28.3 | 178 | -54.6 | -58.6 | 0 | 0 | 0 | 112.3 | Y369 D377 T383 | Y369-N379 HydrophobicContact CD1-CB 4.13Å; Y369-N379 HydrophobicContact CD2-CB 3.99Å; Y369-N379 HydrophobicContact CE1-CB 3.97Å; Y369-N379 HydrophobicContact CE2-CB 3.83Å; Y369-N379 HydrophobicContact CG-CB 4.13Å; D377-N379 PolarHBondContact O-N 3.46Å; D377-N379 WeakPolarHBondContact OD1-CA 3.49Å; D377-N379 WeakPolarHBondContact OD1-CB 3.49Å; D377-N379 VanDerWaalsContact OD1-CG 3.25Å; D377-N379 PolarHBondContact OD1-N 3.02Å; D377-N379 PolarHBondContact OD1-ND2 2.98Å; N379-T383 VanDerWaalsContact O-CB 3.26Å; N379-T383 WeakPolarHBondContact O-CB 3.48Å; N379-T383 PolarHBondContact O-N 2.69Å; N379-T383 PolarHBondContact O-OG1 3.15Å |
| 380 | V | 91.4 | Very high | 90.5 | Very high | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.024 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.8 | -51.5 | 170.8 | 177.2 | 0 | 0 | 0 | 0 | 109.2 | L366 Q370 G374 D377 K382 T383 K384 | L366-V380 HydrophobicContact CD1-CG1 4.11Å; Q370-V380 HydrophobicContact CG-CG1 3.99Å; Q370-V380 HydrophobicContact CG-CG2 4.05Å; G374-V380 WeakPolarHBondContact O-CG2 3.44Å; D377-V380 HydrophobicContact CB-CG2 4.26Å; D377-V380 WeakPolarHBondContact O-CB 3.44Å; D377-V380 PolarHBondContact O-N 2.96Å; V380-K382 VanDerWaalsContact C-N 3.34Å; V380-K382 PolarHBondContact O-N 3.5Å; V380-T383 PolarHBondContact O-N 2.86Å; V380-K384 HydrophobicContact CG1-CD 4.45Å; V380-K384 WeakPolarHBondContact O-CG 3.35Å; V380-K384 PolarHBondContact O-N 3.35Å |
| 381 | A | 90.8 | Very high | 90.6 | Very high | 23 Ų | 23 | 43.5 Ų | 43.5 | 19% | 0.19 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61 | -40.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D377 P378 N385 I407 T462 | D377-A381 PolarHBondContact O-N 3.42Å; P378-A381 PolarHBondContact O-N 3Å; A381-N385 WeakPolarHBondContact O-CB 3.35Å; A381-N385 PolarHBondContact O-N 3.41Å; A381-I407 HydrophobicContact CB-CG2 4.24Å; A381-T462 HydrophobicContact CB-CG2 3.85Å |
| 382 | K | 91.4 | Very high | 90.6 | Very high | 97 Ų | 97 | 40.8 Ų | 40.8 | 42% | 0.422 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.1 | -44.8 | 174.9 | -74 | 170.9 | -173.5 | 170.3 | 0 | 111.9 | P378 V380 N385 N386 T462 | P378-K382 VanDerWaalsContact O-CG 3.28Å; P378-K382 WeakPolarHBondContact O-CG 3.35Å; P378-K382 PolarHBondContact O-N 2.91Å; V380-K382 VanDerWaalsContact C-N 3.34Å; V380-K382 PolarHBondContact O-N 3.5Å; K382-N385 PolarHBondContact O-N 3.03Å; K382-N386 VanDerWaalsContact O-CG 3.29Å; K382-N386 PolarHBondContact O-N 3.4Å; K382-N386 PolarHBondContact O-ND2 2.92Å; K382-T462 HydrophobicContact CG-CG2 4.07Å |
| 383 | T | 92.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66 | -43.7 | -179.8 | -55.9 | 0 | 0 | 0 | 0 | 111 | N343 Y362 A365 L366 N379 V380 N385 N386 L387 | N343-T383 PolarHBondContact ND2-OG1 3.34Å; N343-T383 WeakPolarHBondContact OD1-CG2 3.25Å; Y362-T383 HydrophobicContact CD1-CG2 4.14Å; A365-T383 HydrophobicContact CB-CG2 4.16Å; L366-T383 HydrophobicContact CB-CG2 4.2Å; L366-T383 HydrophobicContact CD1-CG2 4.25Å; N379-T383 VanDerWaalsContact O-CB 3.26Å; N379-T383 WeakPolarHBondContact O-CB 3.48Å; N379-T383 PolarHBondContact O-N 2.69Å; N379-T383 PolarHBondContact O-OG1 3.15Å; V380-T383 PolarHBondContact O-N 2.86Å; T383-N385 VanDerWaalsContact C-N 3.34Å; T383-N385 PolarHBondContact O-N 3.12Å; T383-N386 PolarHBondContact O-N 3.13Å; T383-L387 WeakPolarHBondContact O-CB 3.46Å; T383-L387 PolarHBondContact O-N 3.44Å |
| 384 | K | 94.4 | Very high | 90.6 | Very high | 26 Ų | 26 | 39 Ų | 39 | 11% | 0.113 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.9 | -42.5 | 172.3 | -69.9 | -168.6 | 179.4 | -166.5 | 0 | 112.2 | L366 V380 N386 L387 A388 L403 E406 I407 | L366-K384 HydrophobicContact CD1-CB 4.45Å; L366-K384 HydrophobicContact CD1-CD 4.26Å; L366-K384 HydrophobicContact CD1-CG 3.32Å; V380-K384 HydrophobicContact CG1-CD 4.45Å; V380-K384 WeakPolarHBondContact O-CG 3.35Å; V380-K384 PolarHBondContact O-N 3.35Å; K384-N386 PolarHBondContact O-N 3.17Å; K384-L387 PolarHBondContact O-N 3.5Å; K384-A388 WeakPolarHBondContact O-CB 3.49Å; K384-A388 PolarHBondContact O-N 3.21Å; K384-L403 HydrophobicContact CD-CD2 4.46Å; K384-L403 HydrophobicContact CG-CD2 4.43Å; K384-E406 IonicContact NZ-OE2 2.7Å; K384-E406 PolarHBondContact NZ-OE2 3.15Å; K384-I407 HydrophobicContact CB-CD1 3.6Å; K384-I407 HydrophobicContact CB-CG1 3.76Å; K384-I407 HydrophobicContact CD-CG1 3.99Å; K384-I407 HydrophobicContact CG-CG1 4.48Å |
| 385 | N | 93.6 | Very high | 90.7 | Very high | 11 Ų | 11 | 39.8 Ų | 39.8 | 6% | 0.059 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.9 | -40.9 | 176.1 | -96.9 | -18.4 | 0 | 0 | 0 | 112.7 | A381 K382 T383 A388 S389 Y404 I407 T462 T466 | A381-N385 WeakPolarHBondContact O-CB 3.35Å; A381-N385 PolarHBondContact O-N 3.41Å; K382-N385 PolarHBondContact O-N 3.03Å; T383-N385 VanDerWaalsContact C-N 3.34Å; T383-N385 PolarHBondContact O-N 3.12Å; N385-A388 PolarHBondContact O-N 3.41Å; N385-S389 WeakPolarHBondContact O-CB 3.41Å; N385-S389 PolarHBondContact O-N 3.38Å; N385-Y404 WeakPolarHBondContact OD1-CD1 3.25Å; N385-Y404 WeakPolarHBondContact OD1-CE1 3.38Å; N385-I407 HydrophobicContact CB-CD1 4.31Å; N385-I407 VanDerWaalsContact OD1-CD1 3.22Å; N385-I407 WeakPolarHBondContact OD1-CD1 3.31Å; N385-T462 WeakPolarHBondContact ND2-CG2 3.34Å; N385-T462 PolarHBondContact ND2-O 3.04Å; N385-T466 VanDerWaalsContact CG-OG1 3.23Å; N385-T466 PolarHBondContact ND2-OG1 3.37Å; N385-T466 PolarHBondContact OD1-OG1 2.96Å |
| 386 | N | 92.9 | Very high | 91.1 | Very high | 67 Ų | 67 | 39.8 Ų | 39.8 | 36% | 0.358 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67.8 | -40.5 | 177.3 | -69.9 | -18.4 | 0 | 0 | 0 | 111.9 | Y362 K382 T383 K384 S389 C390 | Y362-N386 HydrophobicContact CD1-CB 4.34Å; Y362-N386 HydrophobicContact CE1-CB 3.65Å; Y362-N386 HydrophobicContact CE2-CB 4.11Å; K382-N386 VanDerWaalsContact O-CG 3.29Å; K382-N386 PolarHBondContact O-N 3.4Å; K382-N386 PolarHBondContact O-ND2 2.92Å; T383-N386 PolarHBondContact O-N 3.13Å; K384-N386 PolarHBondContact O-N 3.17Å; N386-S389 WeakPolarHBondContact O-CB 3.4Å; N386-S389 PolarHBondContact O-N 3.2Å; N386-C390 PolarHBondContact O-N 3.27Å |
| 387 | L | 93.8 | Very high | 91.5 | Very high | 7 Ų | 7 | 39.7 Ų | 39.7 | 4% | 0.037 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.8 | -44.6 | 173.7 | -179.6 | 58.8 | 0 | 0 | 0 | 111.6 | E359 Y362 Q363 T383 K384 S389 C390 Y391 L403 | E359-L387 HydrophobicContact CG-CD1 4.41Å; Y362-L387 HydrophobicContact CD2-CB 4.32Å; Y362-L387 HydrophobicContact CD2-CD1 4.26Å; Y362-L387 HydrophobicContact CG-CB 4.34Å; Q363-L387 HydrophobicContact CG-CD2 4.4Å; T383-L387 WeakPolarHBondContact O-CB 3.46Å; T383-L387 PolarHBondContact O-N 3.44Å; K384-L387 PolarHBondContact O-N 3.5Å; L387-S389 VanDerWaalsContact C-N 3.29Å; L387-S389 PolarHBondContact O-N 2.87Å; L387-C390 WeakPolarHBondContact O-CA 3.39Å; L387-C390 WeakPolarHBondContact O-CB 3.29Å; L387-C390 PolarHBondContact O-N 3.27Å; L387-Y391 HydrophobicContact CD1-CE1 4.12Å; L387-Y391 HydrophobicContact CD1-CE2 4.21Å; L387-Y391 HydrophobicContact CD2-CE2 4.31Å; L387-Y391 HydrophobicContact CG-CD2 4.44Å; L387-Y391 HydrophobicContact CG-CE2 3.91Å; L387-Y391 PolarHBondContact O-N 3.02Å; L387-L403 HydrophobicContact CB-CD1 4.05Å; L387-L403 HydrophobicContact CD2-CD1 3.81Å; L387-L403 HydrophobicContact CG-CD1 3.7Å |
| 388 | A | 93.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.9 | -40.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | K384 N385 C390 Y391 L392 A400 L403 Y404 | K384-A388 WeakPolarHBondContact O-CB 3.49Å; K384-A388 PolarHBondContact O-N 3.21Å; N385-A388 PolarHBondContact O-N 3.41Å; A388-C390 VanDerWaalsContact C-N 3.29Å; A388-C390 PolarHBondContact O-N 2.91Å; A388-Y391 PolarHBondContact O-N 3.06Å; A388-L392 WeakPolarHBondContact O-CG 3.47Å; A388-L392 PolarHBondContact O-N 2.95Å; A388-A400 HydrophobicContact CB-CB 4.28Å; A388-L403 HydrophobicContact CB-CB 4.02Å; A388-L403 HydrophobicContact CB-CD1 4.03Å; A388-Y404 HydrophobicContact CB-CD1 3.9Å; A388-Y404 HydrophobicContact CB-CE1 3.36Å; A388-Y404 HydrophobicContact CB-CE2 4.17Å; A388-Y404 VanDerWaalsContact CB-CZ 3.49Å |
| 389 | S | 91.4 | Very high | 91.9 | Very high | 42 Ų | 42 | 46.6 Ų | 46.6 | 29% | 0.294 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.1 | -36 | 172.3 | -177.8 | 0 | 0 | 0 | 0 | 112.5 | N385 N386 L387 L392 K393 | N385-S389 WeakPolarHBondContact O-CB 3.41Å; N385-S389 PolarHBondContact O-N 3.38Å; N386-S389 WeakPolarHBondContact O-CB 3.4Å; N386-S389 PolarHBondContact O-N 3.2Å; L387-S389 VanDerWaalsContact C-N 3.29Å; L387-S389 PolarHBondContact O-N 2.87Å; S389-L392 PolarHBondContact O-N 3.31Å; S389-K393 PolarHBondContact O-N 3.46Å |
| 390 | C | 91.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.1 | -48.4 | 171.3 | -169.3 | 0 | 0 | 0 | 0 | 111.6 | V358 N386 L387 A388 L392 K393 Q394 | V358-C390 HydrophobicContact CG1-CB 3.97Å; V358-C390 WeakPolarHBondContact CG1-SG 3.35Å; N386-C390 PolarHBondContact O-N 3.27Å; L387-C390 WeakPolarHBondContact O-CA 3.39Å; L387-C390 WeakPolarHBondContact O-CB 3.29Å; L387-C390 PolarHBondContact O-N 3.27Å; A388-C390 VanDerWaalsContact C-N 3.29Å; A388-C390 PolarHBondContact O-N 2.91Å; C390-L392 VanDerWaalsContact C-N 3.32Å; C390-L392 PolarHBondContact O-N 3.13Å; C390-K393 PolarHBondContact O-N 2.87Å; C390-K393 VanDerWaalsContact O-N 3.12Å; C390-Q394 WeakPolarHBondContact O-CG 3.43Å; C390-Q394 PolarHBondContact O-N 3.26Å; C390-Q394 VanDerWaalsContact O-N 3.08Å; C390-Q394 PolarHBondContact SG-NE2 3.46Å |
| 391 | Y | 93.4 | Very high | 92.2 | Very high | 16 Ų | 16 | 45 Ų | 45 | 6% | 0.063 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.7 | -37.3 | 176.8 | -68.1 | -27.1 | 0 | 0 | 0 | 113.3 | E359 L387 A388 K393 Q394 G395 K396 Q399 L403 | E359-Y391 HydrophobicContact CG-CE1 4.08Å; E359-Y391 PolarHBondContact OE1-OH 2.93Å; L387-Y391 HydrophobicContact CD1-CE1 4.12Å; L387-Y391 HydrophobicContact CD1-CE2 4.21Å; L387-Y391 HydrophobicContact CD2-CE2 4.31Å; L387-Y391 HydrophobicContact CG-CD2 4.44Å; L387-Y391 HydrophobicContact CG-CE2 3.91Å; L387-Y391 PolarHBondContact O-N 3.02Å; A388-Y391 PolarHBondContact O-N 3.06Å; Y391-K393 VanDerWaalsContact C-N 3.32Å; Y391-K393 PolarHBondContact O-N 3.45Å; Y391-Q394 PolarHBondContact O-N 2.89Å; Y391-G395 PolarHBondContact O-N 3.4Å; Y391-K396 HydrophobicContact CD1-CB 4.39Å; Y391-K396 HydrophobicContact CD1-CD 4.04Å; Y391-K396 HydrophobicContact CE1-CD 4.39Å; Y391-K396 HydrophobicContact CG-CB 4.39Å; Y391-K396 PolarHBondContact O-N 3.03Å; Y391-Q399 HydrophobicContact CD2-CB 3.53Å; Y391-Q399 HydrophobicContact CE2-CB 3.75Å; Y391-Q399 HydrophobicContact CG-CB 4.06Å; Y391-L403 HydrophobicContact CD2-CD1 3.75Å; Y391-L403 HydrophobicContact CE2-CD1 3.6Å; Y391-L403 HydrophobicContact CE2-CG 4.5Å |
| 392 | L | 91.1 | Very high | 92.4 | Very high | 46 Ų | 46 | 47.5 Ų | 47.5 | 24% | 0.241 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.2 | -42.3 | 173 | -71 | -177.4 | 0 | 0 | 0 | 112.2 | A388 S389 C390 Q394 G395 F397 A400 Y404 L473 | A388-L392 WeakPolarHBondContact O-CG 3.47Å; A388-L392 PolarHBondContact O-N 2.95Å; S389-L392 PolarHBondContact O-N 3.31Å; C390-L392 VanDerWaalsContact C-N 3.32Å; C390-L392 PolarHBondContact O-N 3.13Å; L392-Q394 VanDerWaalsContact C-N 3.32Å; L392-G395 PolarHBondContact O-N 3.46Å; L392-F397 HydrophobicContact CD2-CD1 3.88Å; L392-F397 HydrophobicContact CD2-CE1 4.34Å; L392-A400 HydrophobicContact CD2-CB 3.72Å; L392-A400 HydrophobicContact CG-CB 3.95Å; L392-Y404 HydrophobicContact CD1-CE2 4.26Å; L392-Y404 WeakPolarHBondContact CD1-OH 3.11Å; L392-L473 HydrophobicContact CD2-CD1 4.06Å; L392-L473 HydrophobicContact CD2-CD2 3.43Å; L392-L473 VanDerWaalsContact CD2-CD2 3.43Å; L392-L473 HydrophobicContact CD2-CG 3.93Å |
| 393 | K | 89.3 | Confident | 92.6 | Very high | 101 Ų | 101 | 43.7 Ų | 43.7 | 44% | 0.439 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -68.9 | -30.4 | 177.4 | -69.8 | -173.3 | -174.5 | 175.4 | 0 | 112.9 | Q350 Y355 S389 C390 Y391 G395 | Q350-K393 HydrophobicContact CG-CD 4.22Å; Y355-K393 HydrophobicContact CE1-CB 3.81Å; Y355-K393 HydrophobicContact CE1-CD 4.29Å; S389-K393 PolarHBondContact O-N 3.46Å; C390-K393 PolarHBondContact O-N 2.87Å; C390-K393 VanDerWaalsContact O-N 3.12Å; Y391-K393 VanDerWaalsContact C-N 3.32Å; Y391-K393 PolarHBondContact O-N 3.45Å; K393-G395 VanDerWaalsContact C-N 3.31Å |
| 394 | Q | 89.6 | Confident | 92.6 | Very high | 54 Ų | 54 | 43.7 Ų | 43.7 | 25% | 0.252 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -80.2 | -9.3 | 175.3 | -65.5 | 178.7 | 47.3 | 0 | 0 | 113.5 | Y355 C390 Y391 L392 K396 | Y355-Q394 HydrophobicContact CD1-CG 3.77Å; Y355-Q394 HydrophobicContact CD2-CG 4.23Å; Y355-Q394 HydrophobicContact CE1-CG 4.44Å; Y355-Q394 HydrophobicContact CG-CG 3.65Å; C390-Q394 WeakPolarHBondContact O-CG 3.43Å; C390-Q394 PolarHBondContact O-N 3.26Å; C390-Q394 VanDerWaalsContact O-N 3.08Å; C390-Q394 PolarHBondContact SG-NE2 3.46Å; Y391-Q394 PolarHBondContact O-N 2.89Å; L392-Q394 VanDerWaalsContact C-N 3.32Å; Q394-K396 VanDerWaalsContact C-N 3.29Å; Q394-K396 HydrophobicContact CB-CG 4.09Å |
| 395 | G | 89.5 | Confident | 92.5 | Very high | 38 Ų | 38 | 44 Ų | 44 | 39% | 0.392 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 8.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y391 L392 K393 F397 | Y391-G395 PolarHBondContact O-N 3.4Å; L392-G395 PolarHBondContact O-N 3.46Å; K393-G395 VanDerWaalsContact C-N 3.31Å; G395-F397 WeakPolarHBondContact O-CD2 3.33Å; G395-F397 WeakPolarHBondContact O-CE2 3.38Å; G395-F397 PolarHBondContact O-N 3.02Å |
| 396 | K | 93.1 | Very high | 92.4 | Very high | 73 Ų | 73 | 47.1 Ų | 47.1 | 32% | 0.317 | 24% | 0.237 | S | C | . | . | trans | -79.8 | 61.4 | 175.6 | -60.4 | -174.1 | -172.6 | 165.3 | 0 | 110.8 | E359 Y391 Q394 K398 Q399 A400 | E359-K396 IonicContact OE2-NZ 2.68Å; E359-K396 PolarHBondContact OE2-NZ 3.08Å; Y391-K396 HydrophobicContact CD1-CB 4.39Å; Y391-K396 HydrophobicContact CD1-CD 4.04Å; Y391-K396 HydrophobicContact CE1-CD 4.39Å; Y391-K396 HydrophobicContact CG-CB 4.39Å; Y391-K396 PolarHBondContact O-N 3.03Å; Q394-K396 VanDerWaalsContact C-N 3.29Å; Q394-K396 HydrophobicContact CB-CG 4.09Å; K396-K398 PolarHBondContact O-N 3.22Å; K396-Q399 HydrophobicContact CB-CB 4.44Å; K396-Q399 PolarHBondContact O-N 2.92Å; K396-A400 PolarHBondContact O-N 3.05Å | ||
| 397 | F | 92.8 | Very high | 92.3 | Very high | 66 Ų | 66 | 44.2 Ų | 44.2 | 29% | 0.289 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.9 | -37.9 | -170.6 | -58.3 | -63.9 | 0 | 0 | 0 | 114.2 | L392 G395 Q399 A400 E401 L473 | L392-F397 HydrophobicContact CD2-CD1 3.88Å; L392-F397 HydrophobicContact CD2-CE1 4.34Å; G395-F397 WeakPolarHBondContact O-CD2 3.33Å; G395-F397 WeakPolarHBondContact O-CE2 3.38Å; G395-F397 PolarHBondContact O-N 3.02Å; F397-Q399 PolarHBondContact O-N 3.43Å; F397-A400 PolarHBondContact O-N 3.41Å; F397-E401 WeakPolarHBondContact O-CB 3.47Å; F397-E401 PolarHBondContact O-N 3.05Å; F397-L473 HydrophobicContact CB-CD2 4.15Å; F397-L473 HydrophobicContact CD1-CD2 3.74Å; F397-L473 HydrophobicContact CG-CD2 4.33Å |
| 398 | K | 92.5 | Very high | 92.1 | Very high | 173 Ų | 173 | 44.1 Ų | 44.1 | 75% | 0.752 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -62.2 | -42.5 | 179.2 | -65.2 | -174.3 | 178.8 | -176.8 | 0 | 112.1 | K396 E401 T402 | K396-K398 PolarHBondContact O-N 3.22Å; K398-E401 WeakPolarHBondContact O-CB 3.35Å; K398-E401 PolarHBondContact O-N 3.37Å; K398-T402 PolarHBondContact O-N 2.95Å; K398-T402 PolarHBondContact O-OG1 3.45Å; K398-T402 VanDerWaalsContact O-OG1 3.08Å |
| 399 | Q | 92.3 | Very high | 91.8 | Very high | 83 Ų | 83 | 45.5 Ų | 45.5 | 39% | 0.388 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -68 | -38.5 | 178.5 | -65.2 | -179.6 | -15.1 | 0 | 0 | 111.8 | Y391 K396 F397 E401 T402 L403 | Y391-Q399 HydrophobicContact CD2-CB 3.53Å; Y391-Q399 HydrophobicContact CE2-CB 3.75Å; Y391-Q399 HydrophobicContact CG-CB 4.06Å; K396-Q399 HydrophobicContact CB-CB 4.44Å; K396-Q399 PolarHBondContact O-N 2.92Å; F397-Q399 PolarHBondContact O-N 3.43Å; Q399-E401 VanDerWaalsContact C-N 3.34Å; Q399-T402 PolarHBondContact O-N 3.27Å; Q399-L403 PolarHBondContact O-N 3.35Å |
| 400 | A | 93.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.3 | -40.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A388 L392 K396 F397 L403 Y404 L473 | A388-A400 HydrophobicContact CB-CB 4.28Å; L392-A400 HydrophobicContact CD2-CB 3.72Å; L392-A400 HydrophobicContact CG-CB 3.95Å; K396-A400 PolarHBondContact O-N 3.05Å; F397-A400 PolarHBondContact O-N 3.41Å; A400-L403 PolarHBondContact O-N 3.47Å; A400-Y404 HydrophobicContact CB-CE2 4.45Å; A400-Y404 VanDerWaalsContact O-CD2 3.23Å; A400-Y404 WeakPolarHBondContact O-CD2 3.25Å; A400-Y404 PolarHBondContact O-N 3.43Å; A400-L473 HydrophobicContact CB-CD1 4.24Å |
| 401 | E | 93.4 | Very high | 91.4 | Very high | 23 Ų | 23 | 46.9 Ų | 46.9 | 11% | 0.107 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.8 | -48.8 | 176.2 | -171 | -173.4 | 153.1 | 0 | 0 | 111.7 | F397 K398 Q399 L403 Y404 K405 L470 L473 Y474 Q477 | F397-E401 WeakPolarHBondContact O-CB 3.47Å; F397-E401 PolarHBondContact O-N 3.05Å; K398-E401 WeakPolarHBondContact O-CB 3.35Å; K398-E401 PolarHBondContact O-N 3.37Å; Q399-E401 VanDerWaalsContact C-N 3.34Å; E401-L403 VanDerWaalsContact C-N 3.34Å; E401-L403 PolarHBondContact O-N 2.93Å; E401-Y404 PolarHBondContact O-N 2.91Å; E401-K405 HydrophobicContact CG-CD 4.26Å; E401-K405 WeakPolarHBondContact O-CG 3.29Å; E401-K405 PolarHBondContact O-N 2.88Å; E401-K405 VanDerWaalsContact OE1-CE 3.26Å; E401-K405 WeakPolarHBondContact OE1-CE 3.44Å; E401-K405 IonicContact OE1-NZ 3.35Å; E401-K405 PolarHBondContact OE1-NZ 3.3Å; E401-L470 HydrophobicContact CG-CD1 3.79Å; E401-L473 HydrophobicContact CB-CD1 4.16Å; E401-Y474 HydrophobicContact CG-CE1 4.29Å; E401-Q477 PolarHBondContact OE2-NE2 3.06Å |
| 402 | T | 94.9 | Very high | 90.9 | Very high | 75 Ų | 75 | 46.5 Ų | 46.5 | 46% | 0.46 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -56.2 | -47 | 177 | -53.4 | 0 | 0 | 0 | 0 | 111.5 | K398 Q399 Y404 K405 E406 | K398-T402 PolarHBondContact O-N 2.95Å; K398-T402 PolarHBondContact O-OG1 3.45Å; K398-T402 VanDerWaalsContact O-OG1 3.08Å; Q399-T402 PolarHBondContact O-N 3.27Å; T402-Y404 PolarHBondContact O-N 3.42Å; T402-K405 PolarHBondContact O-N 3.48Å; T402-E406 WeakPolarHBondContact O-CG 3.29Å; T402-E406 PolarHBondContact O-N 3.46Å |
| 403 | L | 94 | Very high | 90.6 | Very high | 17 Ų | 17 | 47.7 Ų | 47.7 | 9% | 0.089 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.5 | -39.6 | 178.2 | -73.2 | 178.6 | 0 | 0 | 0 | 112.9 | K384 L387 A388 Y391 Q399 A400 E401 E406 I407 | K384-L403 HydrophobicContact CD-CD2 4.46Å; K384-L403 HydrophobicContact CG-CD2 4.43Å; L387-L403 HydrophobicContact CB-CD1 4.05Å; L387-L403 HydrophobicContact CD2-CD1 3.81Å; L387-L403 HydrophobicContact CG-CD1 3.7Å; A388-L403 HydrophobicContact CB-CB 4.02Å; A388-L403 HydrophobicContact CB-CD1 4.03Å; Y391-L403 HydrophobicContact CD2-CD1 3.75Å; Y391-L403 HydrophobicContact CE2-CD1 3.6Å; Y391-L403 HydrophobicContact CE2-CG 4.5Å; Q399-L403 PolarHBondContact O-N 3.35Å; A400-L403 PolarHBondContact O-N 3.47Å; E401-L403 VanDerWaalsContact C-N 3.34Å; E401-L403 PolarHBondContact O-N 2.93Å; L403-E406 PolarHBondContact O-N 3.28Å; L403-I407 VanDerWaalsContact O-CG1 3.29Å; L403-I407 WeakPolarHBondContact O-CG1 3.44Å; L403-I407 PolarHBondContact O-N 3.46Å; L403-I407 VanDerWaalsContact O-N 3.11Å |
| 404 | Y | 93.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.5 | -39.8 | 175.6 | -67.4 | -35.9 | 0 | 0 | 0 | 112.1 | N385 A388 L392 A400 E401 T402 I407 L408 T466 N469 L470 L473 | N385-Y404 WeakPolarHBondContact OD1-CD1 3.25Å; N385-Y404 WeakPolarHBondContact OD1-CE1 3.38Å; A388-Y404 HydrophobicContact CB-CD1 3.9Å; A388-Y404 HydrophobicContact CB-CE1 3.36Å; A388-Y404 HydrophobicContact CB-CE2 4.17Å; A388-Y404 VanDerWaalsContact CB-CZ 3.49Å; L392-Y404 HydrophobicContact CD1-CE2 4.26Å; L392-Y404 WeakPolarHBondContact CD1-OH 3.11Å; A400-Y404 HydrophobicContact CB-CE2 4.45Å; A400-Y404 VanDerWaalsContact O-CD2 3.23Å; A400-Y404 WeakPolarHBondContact O-CD2 3.25Å; A400-Y404 PolarHBondContact O-N 3.43Å; E401-Y404 PolarHBondContact O-N 2.91Å; T402-Y404 PolarHBondContact O-N 3.42Å; Y404-I407 HydrophobicContact CD1-CD1 4.36Å; Y404-I407 PolarHBondContact O-N 2.91Å; Y404-L408 WeakPolarHBondContact O-CG 3.49Å; Y404-L408 PolarHBondContact O-N 3.16Å; Y404-L408 VanDerWaalsContact O-N 3.07Å; Y404-T466 HydrophobicContact CD1-CG2 3.73Å; Y404-T466 HydrophobicContact CG-CG2 4.03Å; Y404-T466 WeakPolarHBondContact O-CG2 3.48Å; Y404-N469 HydrophobicContact CD2-CB 4.28Å; Y404-N469 HydrophobicContact CE1-CB 4.05Å; Y404-N469 HydrophobicContact CE2-CB 3.54Å; Y404-N469 VanDerWaalsContact CZ-CB 3.41Å; Y404-N469 WeakPolarHBondContact OH-CB 3.12Å; Y404-N469 PolarHBondContact OH-ND2 2.95Å; Y404-L470 HydrophobicContact CD2-CB 4.28Å; Y404-L470 HydrophobicContact CD2-CD1 4.48Å; Y404-L470 HydrophobicContact CG-CB 4.47Å; Y404-L473 HydrophobicContact CD2-CD1 3.73Å; Y404-L473 HydrophobicContact CE2-CD1 3.81Å |
| 405 | K | 93 | Very high | 89.8 | Confident | 32 Ų | 32 | 49.7 Ų | 49.7 | 14% | 0.139 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.9 | -43.1 | 173.9 | -72.9 | 179.2 | 169.6 | 179.5 | 0 | 111.4 | E401 T402 I407 L408 T409 W427 E431 L470 Y474 | E401-K405 HydrophobicContact CG-CD 4.26Å; E401-K405 WeakPolarHBondContact O-CG 3.29Å; E401-K405 PolarHBondContact O-N 2.88Å; E401-K405 VanDerWaalsContact OE1-CE 3.26Å; E401-K405 WeakPolarHBondContact OE1-CE 3.44Å; E401-K405 IonicContact OE1-NZ 3.35Å; E401-K405 PolarHBondContact OE1-NZ 3.3Å; T402-K405 PolarHBondContact O-N 3.48Å; K405-I407 PolarHBondContact O-N 3.03Å; K405-L408 PolarHBondContact O-N 2.98Å; K405-T409 WeakPolarHBondContact O-CB 3.39Å; K405-T409 PolarHBondContact O-N 3.39Å; K405-T409 PolarHBondContact O-OG1 2.94Å; K405-W427 HydrophobicContact CB-CD2 4.22Å; K405-W427 HydrophobicContact CB-CG 4.49Å; K405-W427 HydrophobicContact CB-CZ2 4.34Å; K405-W427 HydrophobicContact CD-CD2 3.98Å; K405-W427 HydrophobicContact CD-CE3 3.71Å; K405-W427 HydrophobicContact CD-CH2 4.11Å; K405-W427 HydrophobicContact CD-CZ2 4.36Å; K405-W427 HydrophobicContact CD-CZ3 3.77Å; K405-W427 HydrophobicContact CG-CD2 3.73Å; K405-W427 HydrophobicContact CG-CE3 3.98Å; K405-W427 HydrophobicContact CG-CG 4.03Å; K405-W427 HydrophobicContact CG-CZ2 4.48Å; K405-W427 HydrophobicContact CG-CZ3 4.45Å; K405-E431 VanDerWaalsContact NZ-CD 3.31Å; K405-E431 IonicContact NZ-OE1 2.8Å; K405-E431 PolarHBondContact NZ-OE1 3.06Å; K405-E431 IonicContact NZ-OE2 3.93Å; K405-E431 PolarHBondContact NZ-OE2 3.24Å; K405-L470 HydrophobicContact CG-CD2 4.43Å; K405-Y474 WeakPolarHBondContact CE-OH 3.48Å; K405-Y474 PolarHBondContact NZ-OH 3.35Å |
| 406 | E | 91.8 | Very high | 89.1 | Confident | 76 Ų | 76 | 50.4 Ų | 50.4 | 36% | 0.355 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.5 | -44.6 | 175.3 | -73.8 | 174.1 | -157.2 | 0 | 0 | 112.7 | K384 T402 L403 L408 T409 R410 | K384-E406 IonicContact NZ-OE2 2.7Å; K384-E406 PolarHBondContact NZ-OE2 3.15Å; T402-E406 WeakPolarHBondContact O-CG 3.29Å; T402-E406 PolarHBondContact O-N 3.46Å; L403-E406 PolarHBondContact O-N 3.28Å; E406-L408 PolarHBondContact O-N 3.42Å; E406-T409 PolarHBondContact O-N 2.92Å; E406-R410 WeakPolarHBondContact O-CB 3.49Å; E406-R410 PolarHBondContact O-N 2.91Å |
| 407 | I | 90.6 | Very high | 88.5 | Confident | 7 Ų | 7 | 48.7 Ų | 48.7 | 4% | 0.036 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.7 | -45.4 | 178.2 | -65.5 | 164.7 | 0 | 0 | 0 | 110.6 | A381 K384 N385 L403 Y404 K405 A411 T466 | A381-I407 HydrophobicContact CB-CG2 4.24Å; K384-I407 HydrophobicContact CB-CD1 3.6Å; K384-I407 HydrophobicContact CB-CG1 3.76Å; K384-I407 HydrophobicContact CD-CG1 3.99Å; K384-I407 HydrophobicContact CG-CG1 4.48Å; N385-I407 HydrophobicContact CB-CD1 4.31Å; N385-I407 VanDerWaalsContact OD1-CD1 3.22Å; N385-I407 WeakPolarHBondContact OD1-CD1 3.31Å; L403-I407 VanDerWaalsContact O-CG1 3.29Å; L403-I407 WeakPolarHBondContact O-CG1 3.44Å; L403-I407 PolarHBondContact O-N 3.46Å; L403-I407 VanDerWaalsContact O-N 3.11Å; Y404-I407 HydrophobicContact CD1-CD1 4.36Å; Y404-I407 PolarHBondContact O-N 2.91Å; K405-I407 PolarHBondContact O-N 3.03Å; I407-A411 VanDerWaalsContact O-CB 3.25Å; I407-A411 WeakPolarHBondContact O-CB 3.28Å; I407-A411 PolarHBondContact O-N 3.17Å; I407-T466 HydrophobicContact CB-CG2 4.05Å; I407-T466 HydrophobicContact CD1-CG2 4.32Å; I407-T466 HydrophobicContact CG2-CG2 4.08Å |
| 408 | L | 88.3 | Confident | 88 | Confident | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.9 | -39.4 | -179.5 | -66.9 | 178.2 | 0 | 0 | 0 | 112.3 | Y404 K405 E406 H412 I426 W427 V463 T466 L467 L470 | Y404-L408 WeakPolarHBondContact O-CG 3.49Å; Y404-L408 PolarHBondContact O-N 3.16Å; Y404-L408 VanDerWaalsContact O-N 3.07Å; K405-L408 PolarHBondContact O-N 2.98Å; E406-L408 PolarHBondContact O-N 3.42Å; L408-H412 VanDerWaalsContact O-CB 3.31Å; L408-H412 WeakPolarHBondContact O-CB 3.31Å; L408-H412 PolarHBondContact O-N 3.36Å; L408-I426 HydrophobicContact CB-CG2 4.48Å; L408-I426 HydrophobicContact CD1-CG2 4.08Å; L408-I426 HydrophobicContact CD2-CG2 4.42Å; L408-W427 HydrophobicContact CD1-CB 4.15Å; L408-V463 HydrophobicContact CD2-CG1 3.97Å; L408-T466 HydrophobicContact CD1-CG2 4.29Å; L408-T466 HydrophobicContact CD2-CG2 3.89Å; L408-T466 HydrophobicContact CG-CG2 3.74Å; L408-L467 HydrophobicContact CD1-CD2 3.91Å; L408-L467 HydrophobicContact CD2-CD2 3.6Å; L408-L467 HydrophobicContact CD2-CG 3.86Å; L408-L467 HydrophobicContact CG-CD2 4.43Å; L408-L470 HydrophobicContact CD1-CD2 3.55Å |
| 409 | T | 89.2 | Confident | 87.6 | Confident | 28 Ų | 28 | 44.1 Ų | 44.1 | 17% | 0.172 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.1 | -46.9 | 176.4 | -54.2 | 0 | 0 | 0 | 0 | 110 | K405 E406 A411 H412 E413 V419 P425 W427 | K405-T409 WeakPolarHBondContact O-CB 3.39Å; K405-T409 PolarHBondContact O-N 3.39Å; K405-T409 PolarHBondContact O-OG1 2.94Å; E406-T409 PolarHBondContact O-N 2.92Å; T409-A411 PolarHBondContact O-N 2.91Å; T409-H412 WeakPolarHBondContact O-CB 3.44Å; T409-H412 PolarHBondContact O-N 3.34Å; T409-H412 VanDerWaalsContact O-N 3.15Å; T409-E413 HydrophobicContact CG2-CG 4.48Å; T409-E413 WeakPolarHBondContact O-CG 3.49Å; T409-E413 PolarHBondContact O-N 3.17Å; T409-V419 HydrophobicContact CG2-CG2 4.09Å; T409-P425 HydrophobicContact CG2-CG 3.95Å; T409-W427 PolarHBondContact OG1-NE1 3.34Å |
| 410 | R | 87.7 | Confident | 86.9 | Confident | 65 Ų | 65 | 44.5 Ų | 44.5 | 25% | 0.245 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.2 | -37.1 | -179.4 | -165.3 | 62.5 | -178.5 | 73.7 | 1.1 | 113.2 | D376 E406 H412 E413 R414 | D376-R410 VanDerWaalsContact CG-CZ 3.41Å; D376-R410 VanDerWaalsContact CG-NH1 3.28Å; D376-R410 IonicContact OD1-CZ 2.69Å; D376-R410 IonicContact OD1-NH1 2.73Å; D376-R410 PolarHBondContact OD1-NH1 2.93Å; D376-R410 IonicContact OD1-NH2 2.65Å; D376-R410 PolarHBondContact OD1-NH2 2.87Å; D376-R410 IonicContact OD2-CZ 2.97Å; D376-R410 IonicContact OD2-NH1 3.84Å; D376-R410 PolarHBondContact OD2-NH1 3.32Å; D376-R410 IonicContact OD2-NH2 3.11Å; D376-R410 PolarHBondContact OD2-NH2 2.89Å; E406-R410 WeakPolarHBondContact O-CB 3.49Å; E406-R410 PolarHBondContact O-N 2.91Å; R410-H412 VanDerWaalsContact C-N 3.28Å; R410-E413 WeakPolarHBondContact CD-OE2 3.39Å; R410-E413 PolarHBondContact O-N 3.23Å; R410-R414 WeakPolarHBondContact O-CB 3.44Å; R410-R414 PolarHBondContact O-N 2.89Å; R410-R414 VanDerWaalsContact O-N 3.08Å |
| 411 | A | 85.4 | Confident | 85.8 | Confident | 7 Ų | 7 | 50.9 Ų | 50.9 | 6% | 0.058 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65 | -34 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I407 T409 E415 V458 V463 | I407-A411 VanDerWaalsContact O-CB 3.25Å; I407-A411 WeakPolarHBondContact O-CB 3.28Å; I407-A411 PolarHBondContact O-N 3.17Å; T409-A411 PolarHBondContact O-N 2.91Å; A411-E415 VanDerWaalsContact O-CG 3.24Å; A411-E415 WeakPolarHBondContact O-CG 3.48Å; A411-V458 HydrophobicContact CB-CG1 4.44Å; A411-V463 HydrophobicContact CB-CG2 3.88Å |
| 412 | H | 83.4 | Confident | 84.7 | Confident | 8 Ų | 8 | 57.5 Ų | 57.5 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.9 | -48.9 | 173.3 | 178.7 | 90.4 | 0 | 0 | 0 | 111.3 | L408 T409 R410 R414 E415 F416 N423 P425 | L408-H412 VanDerWaalsContact O-CB 3.31Å; L408-H412 WeakPolarHBondContact O-CB 3.31Å; L408-H412 PolarHBondContact O-N 3.36Å; T409-H412 WeakPolarHBondContact O-CB 3.44Å; T409-H412 PolarHBondContact O-N 3.34Å; T409-H412 VanDerWaalsContact O-N 3.15Å; R410-H412 VanDerWaalsContact C-N 3.28Å; H412-R414 VanDerWaalsContact C-N 3.26Å; H412-R414 PolarHBondContact O-N 3.21Å; H412-E415 PolarHBondContact O-N 3.01Å; H412-F416 AromaticContact CE1-CD2 3.75Å; H412-F416 AromaticContact ND1-CD2 3.52Å; H412-F416 WeakPolarHBondContact O-CD2 3.4Å; H412-F416 PolarHBondContact O-N 3.34Å; H412-N423 PolarHBondContact CE1-OD1 3.41Å; H412-N423 VanDerWaalsContact NE2-CG 3.28Å; H412-N423 PolarHBondContact NE2-ND2 3.17Å; H412-N423 PolarHBondContact NE2-O 3.03Å; H412-N423 PolarHBondContact NE2-OD1 3.17Å; H412-P425 HydrophobicContact CB-CB 4.29Å; H412-P425 HydrophobicContact CB-CG 4.22Å |
| 413 | E | 85.6 | Confident | 83.9 | Confident | 70 Ų | 70 | 55.4 Ų | 55.4 | 33% | 0.327 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59 | -37.3 | -179.5 | -74.6 | 173 | 166.1 | 0 | 0 | 113.2 | T409 R410 E415 G417 V419 | T409-E413 HydrophobicContact CG2-CG 4.48Å; T409-E413 WeakPolarHBondContact O-CG 3.49Å; T409-E413 PolarHBondContact O-N 3.17Å; R410-E413 WeakPolarHBondContact CD-OE2 3.39Å; R410-E413 PolarHBondContact O-N 3.23Å; E413-E415 PolarHBondContact O-N 3.32Å; E413-G417 VanDerWaalsContact CA-O 3.27Å; E413-G417 WeakPolarHBondContact CA-O 3.43Å; E413-G417 VanDerWaalsContact O-CA 3.31Å; E413-G417 WeakPolarHBondContact O-CA 3.42Å; E413-G417 PolarHBondContact O-N 2.89Å; E413-V419 HydrophobicContact CG-CG2 3.92Å |
| 414 | R | 83.1 | Confident | 83.3 | Confident | 105 Ų | 105 | 56.6 Ų | 56.6 | 40% | 0.396 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62 | -33.4 | 177.2 | -171.8 | -176 | 68.7 | -141.5 | -3.6 | 112.8 | D376 R410 H412 | D376-R414 WeakPolarHBondContact OD1-CD 3.3Å; R410-R414 WeakPolarHBondContact O-CB 3.44Å; R410-R414 PolarHBondContact O-N 2.89Å; R410-R414 VanDerWaalsContact O-N 3.08Å; H412-R414 VanDerWaalsContact C-N 3.26Å; H412-R414 PolarHBondContact O-N 3.21Å |
| 415 | E | 78.1 | Confident | 82.9 | Confident | 92 Ų | 92 | 56.6 Ų | 56.6 | 43% | 0.43 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -103.8 | -27.1 | -168.6 | -58.3 | -81.8 | 164.7 | 0 | 0 | 112 | A411 H412 E413 V458 | A411-E415 VanDerWaalsContact O-CG 3.24Å; A411-E415 WeakPolarHBondContact O-CG 3.48Å; H412-E415 PolarHBondContact O-N 3.01Å; E413-E415 PolarHBondContact O-N 3.32Å; E415-V458 HydrophobicContact CB-CG2 4.32Å; E415-V458 HydrophobicContact CG-CG1 4.44Å; E415-V458 HydrophobicContact CG-CG2 3.69Å |
| 416 | F | 76.1 | Confident | 82.5 | Confident | 53 Ų | 53 | 55.5 Ų | 55.5 | 23% | 0.232 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -125.5 | 1.3 | -173.6 | -52.3 | -63.4 | 0 | 0 | 0 | 114.1 | H412 N423 K454 A455 V458 | H412-F416 AromaticContact CE1-CD2 3.75Å; H412-F416 AromaticContact ND1-CD2 3.52Å; H412-F416 WeakPolarHBondContact O-CD2 3.4Å; H412-F416 PolarHBondContact O-N 3.34Å; F416-N423 WeakPolarHBondContact CB-OD1 3.3Å; F416-N423 PolarHBondContact O-ND2 3.31Å; F416-K454 HydrophobicContact CD1-CB 3.89Å; F416-K454 HydrophobicContact CD1-CD 4.41Å; F416-K454 HydrophobicContact CE1-CB 3.41Å; F416-K454 VanDerWaalsContact CE1-CB 3.41Å; F416-K454 HydrophobicContact CE1-CD 4.5Å; F416-K454 HydrophobicContact CE1-CG 4.44Å; F416-K454 HydrophobicContact CE2-CB 4.43Å; F416-K454 HydrophobicContact CZ-CB 3.74Å; F416-K454 WeakPolarHBondContact CZ-O 3.24Å; F416-A455 HydrophobicContact CE2-CB 4.35Å; F416-V458 HydrophobicContact CE2-CG2 4.32Å |
| 417 | G | 80.4 | Confident | 82.2 | Confident | 37 Ų | 37 | 53.8 Ų | 53.8 | 38% | 0.381 | 28% | 0.277 | S | S | . | . | trans | 79.6 | -166.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E413 N423 | E413-G417 VanDerWaalsContact CA-O 3.27Å; E413-G417 WeakPolarHBondContact CA-O 3.43Å; E413-G417 VanDerWaalsContact O-CA 3.31Å; E413-G417 WeakPolarHBondContact O-CA 3.42Å; E413-G417 PolarHBondContact O-N 2.89Å; G417-N423 PolarHBondContact O-ND2 2.91Å | ||
| 418 | S | 81.8 | Confident | 82.1 | Confident | 96 Ų | 96 | 55.7 Ų | 55.7 | 67% | 0.671 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -59.2 | 150.8 | -173.7 | -164.2 | 0 | 0 | 0 | 0 | 112.9 | D420 N423 | S418-D420 PolarHBondContact O-N 3.31Å; S418-N423 PolarHBondContact O-ND2 3.47Å |
| 419 | V | 83.5 | Confident | 81.9 | Confident | 48 Ų | 48 | 56 Ų | 56 | 29% | 0.291 | 29% | 0.287 | S | S | . | . | trans | -76.7 | 115.6 | 177.2 | 179.6 | 0 | 0 | 0 | 0 | 109.4 | T409 E413 P425 M428 | T409-V419 HydrophobicContact CG2-CG2 4.09Å; E413-V419 HydrophobicContact CG-CG2 3.92Å; V419-P425 HydrophobicContact CG1-CG 4.32Å; V419-P425 HydrophobicContact CG2-CG 3.72Å; V419-M428 HydrophobicContact CG1-CE 3.56Å | ||
| 420 | D | 77.2 | Confident | 81.7 | Confident | 91 Ų | 91 | 54.7 Ų | 54.7 | 49% | 0.487 | 28% | 0.279 | S | S | . | . | trans | -125.6 | -175.2 | 173.1 | 64.5 | 24.4 | 0 | 0 | 0 | 110.8 | S418 E422 N423 K424 | S418-D420 PolarHBondContact O-N 3.31Å; D420-E422 PolarHBondContact O-N 2.82Å; D420-E422 PolarHBondContact OD1-N 2.99Å; D420-N423 PolarHBondContact O-N 3.12Å; D420-N423 WeakPolarHBondContact OD1-CA 3.49Å; D420-N423 WeakPolarHBondContact OD1-CB 3.27Å; D420-N423 PolarHBondContact OD1-N 3.48Å; D420-K424 WeakPolarHBondContact O-CG 3.45Å | ||
| 421 | D | 70.9 | Confident | 81.7 | Confident | 134 Ų | 134 | 53.2 Ų | 53.2 | 72% | 0.717 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -64.2 | -23.5 | -176.2 | -70.9 | -35.7 | 0 | 0 | 0 | 113.6 | K424 | D421-K424 VanDerWaalsContact O-CE 3.27Å; D421-K424 WeakPolarHBondContact O-CE 3.4Å |
| 422 | E | 70.8 | Confident | 81.7 | Confident | 161 Ų | 161 | 55.9 Ų | 55.9 | 75% | 0.752 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -98.1 | -26.6 | 177.6 | -63 | -164.5 | 172.4 | 0 | 0 | 112.7 | D420 | D420-E422 PolarHBondContact O-N 2.82Å; D420-E422 PolarHBondContact OD1-N 2.99Å |
| 423 | N | 77.4 | Confident | 81.5 | Confident | 32 Ų | 32 | 59.7 Ų | 59.7 | 17% | 0.171 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -109.5 | 58.7 | -172 | -167.2 | 33.6 | 0 | 0 | 0 | 111.9 | H412 F416 G417 S418 D420 P425 | H412-N423 PolarHBondContact CE1-OD1 3.41Å; H412-N423 VanDerWaalsContact NE2-CG 3.28Å; H412-N423 PolarHBondContact NE2-ND2 3.17Å; H412-N423 PolarHBondContact NE2-O 3.03Å; H412-N423 PolarHBondContact NE2-OD1 3.17Å; F416-N423 WeakPolarHBondContact CB-OD1 3.3Å; F416-N423 PolarHBondContact O-ND2 3.31Å; G417-N423 PolarHBondContact O-ND2 2.91Å; S418-N423 PolarHBondContact O-ND2 3.47Å; D420-N423 PolarHBondContact O-N 3.12Å; D420-N423 WeakPolarHBondContact OD1-CA 3.49Å; D420-N423 WeakPolarHBondContact OD1-CB 3.27Å; D420-N423 PolarHBondContact OD1-N 3.48Å; N423-P425 WeakPolarHBondContact O-CD 2.9Å |
| 424 | K | 82.7 | Confident | 81.4 | Confident | 42 Ų | 42 | 58 Ų | 58 | 18% | 0.183 | 29% | 0.292 | C | S | . | . | trans | -84.2 | 133.9 | -178.4 | -64.5 | 175.5 | 179.4 | 171 | 0 | 112.1 | D420 D421 M428 H429 E432 | D420-K424 WeakPolarHBondContact O-CG 3.45Å; D421-K424 VanDerWaalsContact O-CE 3.27Å; D421-K424 WeakPolarHBondContact O-CE 3.4Å; K424-M428 HydrophobicContact CB-CB 4.29Å; K424-M428 HydrophobicContact CB-CE 3.96Å; K424-M428 HydrophobicContact CG-CE 4.18Å; K424-H429 PolarHBondContact O-CD2 3.03Å; K424-H429 VanDerWaalsContact O-CD2 3.27Å; K424-H429 PolarHBondContact O-NE2 2.95Å; K424-E432 VanDerWaalsContact CD-OE1 3.3Å; K424-E432 WeakPolarHBondContact CD-OE1 3.47Å; K424-E432 WeakPolarHBondContact CE-OE1 3.26Å; K424-E432 IonicContact NZ-OE1 2.82Å; K424-E432 PolarHBondContact NZ-OE1 3.4Å | ||
| 425 | P | 84.4 | Confident | 81.2 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | trans | -49.7 | 149 | 166.3 | -31.2 | 24 | 0 | 0 | 0 | 113.8 | T409 H412 V419 N423 W427 M428 H429 | T409-P425 HydrophobicContact CG2-CG 3.95Å; H412-P425 HydrophobicContact CB-CB 4.29Å; H412-P425 HydrophobicContact CB-CG 4.22Å; V419-P425 HydrophobicContact CG1-CG 4.32Å; V419-P425 HydrophobicContact CG2-CG 3.72Å; N423-P425 WeakPolarHBondContact O-CD 2.9Å; P425-W427 PolarHBondContact O-N 3.07Å; P425-M428 HydrophobicContact CB-CE 4.24Å; P425-M428 HydrophobicContact CG-CE 3.73Å; P425-M428 PolarHBondContact O-N 2.69Å; P425-H429 PolarHBondContact O-N 3.36Å | ||
| 426 | I | 83.4 | Confident | 80.8 | Confident | 8 Ų | 8 | 59.4 Ų | 59.4 | 4% | 0.041 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.3 | -29.2 | -173 | -162.7 | 157.4 | 0 | 0 | 0 | 115 | L408 A430 W452 A455 L467 L486 A489 | L408-I426 HydrophobicContact CB-CG2 4.48Å; L408-I426 HydrophobicContact CD1-CG2 4.08Å; L408-I426 HydrophobicContact CD2-CG2 4.42Å; I426-A430 WeakPolarHBondContact O-CB 3.49Å; I426-A430 PolarHBondContact O-N 2.95Å; I426-A430 VanDerWaalsContact O-N 3.15Å; I426-W452 HydrophobicContact CD1-CE3 4.44Å; I426-A455 HydrophobicContact CB-CB 4.2Å; I426-A455 HydrophobicContact CD1-CB 4.33Å; I426-L467 HydrophobicContact CD1-CD2 4.49Å; I426-L467 HydrophobicContact CG2-CD2 3.74Å; I426-L486 HydrophobicContact CG1-CD2 4.39Å; I426-L486 HydrophobicContact CG2-CD2 4.14Å; I426-A489 HydrophobicContact CD1-CB 3.27Å; I426-A489 HydrophobicContact CG1-CB 4.38Å |
| 427 | W | 87.4 | Confident | 80 | Confident | 41 Ų | 41 | 61.7 Ų | 61.7 | 16% | 0.155 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -74.6 | -30 | 178.3 | 68 | -93.8 | 0 | 0 | 0 | 112.8 | K405 L408 T409 P425 A430 E431 L470 | K405-W427 HydrophobicContact CB-CD2 4.22Å; K405-W427 HydrophobicContact CB-CG 4.49Å; K405-W427 HydrophobicContact CB-CZ2 4.34Å; K405-W427 HydrophobicContact CD-CD2 3.98Å; K405-W427 HydrophobicContact CD-CE3 3.71Å; K405-W427 HydrophobicContact CD-CH2 4.11Å; K405-W427 HydrophobicContact CD-CZ2 4.36Å; K405-W427 HydrophobicContact CD-CZ3 3.77Å; K405-W427 HydrophobicContact CG-CD2 3.73Å; K405-W427 HydrophobicContact CG-CE3 3.98Å; K405-W427 HydrophobicContact CG-CG 4.03Å; K405-W427 HydrophobicContact CG-CZ2 4.48Å; K405-W427 HydrophobicContact CG-CZ3 4.45Å; L408-W427 HydrophobicContact CD1-CB 4.15Å; T409-W427 PolarHBondContact OG1-NE1 3.34Å; P425-W427 PolarHBondContact O-N 3.07Å; W427-A430 WeakPolarHBondContact O-CB 3.28Å; W427-A430 PolarHBondContact O-N 3.4Å; W427-E431 VanDerWaalsContact CE3-OE2 3.3Å; W427-E431 WeakPolarHBondContact CZ3-OE2 3.48Å; W427-E431 WeakPolarHBondContact O-CG 3.48Å; W427-E431 PolarHBondContact O-N 3.1Å; W427-L470 HydrophobicContact CB-CD2 3.87Å |
| 428 | M | 87.9 | Confident | 78.6 | Confident | 47 Ų | 47 | 63.5 Ų | 63.5 | 23% | 0.232 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -70.6 | -44.2 | 175.5 | -73.7 | -164.7 | -74.5 | 0 | 0 | 110.6 | V419 K424 P425 A430 E431 E432 | V419-M428 HydrophobicContact CG1-CE 3.56Å; K424-M428 HydrophobicContact CB-CB 4.29Å; K424-M428 HydrophobicContact CB-CE 3.96Å; K424-M428 HydrophobicContact CG-CE 4.18Å; P425-M428 HydrophobicContact CB-CE 4.24Å; P425-M428 HydrophobicContact CG-CE 3.73Å; P425-M428 PolarHBondContact O-N 2.69Å; M428-A430 PolarHBondContact O-N 3.01Å; M428-E431 PolarHBondContact O-N 3.25Å; M428-E431 VanDerWaalsContact O-N 3.11Å; M428-E432 WeakPolarHBondContact O-CG 3.35Å; M428-E432 PolarHBondContact O-N 3.41Å |
| 429 | H | 83.5 | Confident | 77.3 | Confident | 12 Ų | 12 | 67.9 Ų | 67.9 | 6% | 0.056 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.5 | -35.5 | 171.7 | -73.5 | -44.3 | 0 | 0 | 0 | 113.1 | K424 P425 E432 R433 Y449 | K424-H429 PolarHBondContact O-CD2 3.03Å; K424-H429 VanDerWaalsContact O-CD2 3.27Å; K424-H429 PolarHBondContact O-NE2 2.95Å; P425-H429 PolarHBondContact O-N 3.36Å; H429-E432 IonicContact ND1-OE2 2.94Å; H429-E432 PolarHBondContact ND1-OE2 3.29Å; H429-R433 WeakPolarHBondContact O-CG 3.45Å; H429-R433 PolarHBondContact O-N 3.49Å; H429-Y449 AromaticContact CE1-CD1 3.55Å; H429-Y449 AromaticContact CE1-CE1 3.4Å; H429-Y449 WeakPolarHBondContact CE1-CE1 3.44Å |
| 430 | A | 84.8 | Confident | 75.6 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.8 | -40.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | I426 W427 M428 E434 A482 T485 L486 | I426-A430 WeakPolarHBondContact O-CB 3.49Å; I426-A430 PolarHBondContact O-N 2.95Å; I426-A430 VanDerWaalsContact O-N 3.15Å; W427-A430 WeakPolarHBondContact O-CB 3.28Å; W427-A430 PolarHBondContact O-N 3.4Å; M428-A430 PolarHBondContact O-N 3.01Å; A430-E434 PolarHBondContact O-N 2.81Å; A430-A482 HydrophobicContact CB-CB 4.1Å; A430-A482 VanDerWaalsContact O-CA 3.3Å; A430-A482 WeakPolarHBondContact O-CA 3.4Å; A430-A482 WeakPolarHBondContact O-CB 3.45Å; A430-T485 HydrophobicContact CB-CG2 4.04Å; A430-L486 HydrophobicContact CB-CD2 4.24Å; A430-L486 HydrophobicContact CB-CG 4.02Å |
| 431 | E | 87.7 | Confident | 73.9 | Confident | 33 Ų | 33 | 79 Ų | 79 | 15% | 0.154 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -71.1 | -41.7 | 177.1 | -70.6 | -170.5 | 138.9 | 0 | 0 | 112.4 | K405 W427 M428 R433 E434 E435 Y474 K479 | K405-E431 VanDerWaalsContact NZ-CD 3.31Å; K405-E431 IonicContact NZ-OE1 2.8Å; K405-E431 PolarHBondContact NZ-OE1 3.06Å; K405-E431 IonicContact NZ-OE2 3.93Å; K405-E431 PolarHBondContact NZ-OE2 3.24Å; W427-E431 VanDerWaalsContact CE3-OE2 3.3Å; W427-E431 WeakPolarHBondContact CZ3-OE2 3.48Å; W427-E431 WeakPolarHBondContact O-CG 3.48Å; W427-E431 PolarHBondContact O-N 3.1Å; M428-E431 PolarHBondContact O-N 3.25Å; M428-E431 VanDerWaalsContact O-N 3.11Å; E431-R433 VanDerWaalsContact C-N 3.28Å; E431-R433 PolarHBondContact O-N 3.48Å; E431-E434 WeakPolarHBondContact O-CB 3.41Å; E431-E434 PolarHBondContact O-N 3.29Å; E431-E434 VanDerWaalsContact O-N 3.12Å; E431-E435 PolarHBondContact O-N 3.26Å; E431-E435 VanDerWaalsContact O-N 3.13Å; E431-Y474 VanDerWaalsContact CD-OH 3.25Å; E431-Y474 HydrophobicContact CG-CE2 4.15Å; E431-Y474 WeakPolarHBondContact CG-OH 3.37Å; E431-Y474 PolarHBondContact OE1-OH 2.81Å; E431-Y474 VanDerWaalsContact OE1-OH 3.06Å; E431-K479 IonicContact OE1-NZ 3.12Å; E431-K479 PolarHBondContact OE1-NZ 3.36Å |
| 432 | E | 85.8 | Confident | 72.1 | Confident | 64 Ų | 64 | 79.4 Ų | 79.4 | 30% | 0.299 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58.5 | -37.7 | 174.6 | -72.6 | 172.9 | 164.1 | 0 | 0 | 112.5 | K424 M428 H429 E435 C436 | K424-E432 VanDerWaalsContact CD-OE1 3.3Å; K424-E432 WeakPolarHBondContact CD-OE1 3.47Å; K424-E432 WeakPolarHBondContact CE-OE1 3.26Å; K424-E432 IonicContact NZ-OE1 2.82Å; K424-E432 PolarHBondContact NZ-OE1 3.4Å; M428-E432 WeakPolarHBondContact O-CG 3.35Å; M428-E432 PolarHBondContact O-N 3.41Å; H429-E432 IonicContact ND1-OE2 2.94Å; H429-E432 PolarHBondContact ND1-OE2 3.29Å; E432-E435 PolarHBondContact O-N 3.19Å; E432-C436 PolarHBondContact O-N 3.27Å; E432-C436 VanDerWaalsContact O-N 3.14Å; E432-C436 PolarHBondContact O-SG 3.03Å |
| 433 | R | 79 | Confident | 70.7 | Confident | 87 Ų | 87 | 76.2 Ų | 76.2 | 33% | 0.328 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 174.9 | -80.2 | -178.9 | -176.9 | 174.1 | 3.5 | 112 | H429 E431 E435 C436 T485 | H429-R433 WeakPolarHBondContact O-CG 3.45Å; H429-R433 PolarHBondContact O-N 3.49Å; E431-R433 VanDerWaalsContact C-N 3.28Å; E431-R433 PolarHBondContact O-N 3.48Å; R433-E435 VanDerWaalsContact C-N 3.27Å; R433-E435 PolarHBondContact O-N 2.9Å; R433-C436 PolarHBondContact O-N 2.91Å; R433-C436 VanDerWaalsContact O-N 3.14Å; R433-T485 WeakPolarHBondContact CD-OG1 3.33Å; R433-T485 PolarHBondContact NH1-OG1 3.3Å |
| 434 | E | 83.2 | Confident | 68.5 | Low | 35 Ų | 35 | 80.3 Ų | 80.3 | 16% | 0.164 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -63.5 | -34.7 | 178 | -167.4 | 75.3 | -137.6 | 0 | 0 | 111.8 | A430 E431 C436 K437 K479 F480 E481 A482 | A430-E434 PolarHBondContact O-N 2.81Å; E431-E434 WeakPolarHBondContact O-CB 3.41Å; E431-E434 PolarHBondContact O-N 3.29Å; E431-E434 VanDerWaalsContact O-N 3.12Å; E434-C436 VanDerWaalsContact C-N 3.32Å; E434-K437 WeakPolarHBondContact O-CB 3.42Å; E434-K437 PolarHBondContact O-N 3.42Å; E434-K437 VanDerWaalsContact OE1-CD 3.32Å; E434-K437 WeakPolarHBondContact OE1-CD 3.18Å; E434-K437 IonicContact OE1-NZ 2.68Å; E434-K437 PolarHBondContact OE1-NZ 3Å; E434-K479 HydrophobicContact CG-CB 4.07Å; E434-K479 HydrophobicContact CG-CG 4.2Å; E434-K479 VanDerWaalsContact OE2-CA 3.25Å; E434-K479 WeakPolarHBondContact OE2-CA 3.24Å; E434-F480 PolarHBondContact OE2-N 3.37Å; E434-E481 WeakPolarHBondContact OE2-CA 3.22Å; E434-E481 WeakPolarHBondContact OE2-CB 3.27Å; E434-E481 PolarHBondContact OE2-N 3.48Å; E434-A482 HydrophobicContact CB-CB 4.29Å; E434-A482 PolarHBondContact OE2-N 3.11Å |
| 435 | E | 79.6 | Confident | 66.4 | Low | 162 Ų | 162 | 83.7 Ų | 83.7 | 76% | 0.757 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -72.1 | -24.4 | 176.6 | -68 | 179.2 | -177.3 | 0 | 0 | 113.1 | E431 E432 R433 K437 | E431-E435 PolarHBondContact O-N 3.26Å; E431-E435 VanDerWaalsContact O-N 3.13Å; E432-E435 PolarHBondContact O-N 3.19Å; R433-E435 VanDerWaalsContact C-N 3.27Å; R433-E435 PolarHBondContact O-N 2.9Å; E435-K437 VanDerWaalsContact C-N 3.28Å; E435-K437 PolarHBondContact O-N 3.22Å |
| 436 | C | 69.6 | Low | 64.1 | Low | 65 Ų | 65 | 91.3 Ų | 91.3 | 44% | 0.439 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -3.7 | 177.4 | -69.5 | 0 | 0 | 0 | 0 | 114 | E432 R433 E434 G438 K439 | E432-C436 PolarHBondContact O-N 3.27Å; E432-C436 VanDerWaalsContact O-N 3.14Å; E432-C436 PolarHBondContact O-SG 3.03Å; R433-C436 PolarHBondContact O-N 2.91Å; R433-C436 VanDerWaalsContact O-N 3.14Å; E434-C436 VanDerWaalsContact C-N 3.32Å; C436-G438 VanDerWaalsContact C-N 3.26Å; C436-G438 PolarHBondContact O-N 3.2Å; C436-K439 PolarHBondContact O-N 3.43Å |
| 437 | K | 58.8 | Low | 61.8 | Low | 100 Ų | 100 | 93.3 Ų | 93.3 | 44% | 0.435 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | 76.9 | -179.8 | -160.6 | 174.7 | -164.2 | 175 | 0 | 111.8 | E434 E435 E481 | E434-K437 WeakPolarHBondContact O-CB 3.42Å; E434-K437 PolarHBondContact O-N 3.42Å; E434-K437 VanDerWaalsContact OE1-CD 3.32Å; E434-K437 WeakPolarHBondContact OE1-CD 3.18Å; E434-K437 IonicContact OE1-NZ 2.68Å; E434-K437 PolarHBondContact OE1-NZ 3Å; E435-K437 VanDerWaalsContact C-N 3.28Å; E435-K437 PolarHBondContact O-N 3.22Å; K437-E481 WeakPolarHBondContact CB-OE2 3.43Å; K437-E481 HydrophobicContact CD-CG 4.02Å; K437-E481 WeakPolarHBondContact CD-OE1 3.49Å; K437-E481 WeakPolarHBondContact CD-OE2 3.35Å; K437-E481 WeakPolarHBondContact CE-OE1 3.46Å; K437-E481 VanDerWaalsContact CG-OE1 3.26Å; K437-E481 WeakPolarHBondContact CG-OE1 3.11Å; K437-E481 IonicContact NZ-OE1 2.81Å |
| 438 | G | 52.1 | Low | 59.5 | Low | 76 Ų | 76 | 100.7 Ų | 100.7 | 78% | 0.784 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 154.8 | -12.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | C436 | C436-G438 VanDerWaalsContact C-N 3.26Å; C436-G438 PolarHBondContact O-N 3.2Å |
| 439 | K | 53.5 | Low | 57.5 | Low | 187 Ų | 187 | 103.2 Ų | 103.2 | 81% | 0.813 | 56% | 0.556 | S | S | * | * | trans | -99.8 | 6 | -177.8 | -70.5 | -174.7 | -179.6 | 175.3 | 0 | 115.4 | C436 K441 | C436-K439 PolarHBondContact O-N 3.43Å; K439-K441 VanDerWaalsContact C-N 3.34Å; K439-K441 PolarHBondContact O-N 3.37Å; K439-K441 VanDerWaalsContact O-N 3.1Å | ||
| 440 | Q | 47.1 | Very low | 55.6 | Low | 183 Ų | 183 | 104.9 Ų | 104.9 | 86% | 0.855 | 58% | 0.577 | S | S | * | * | trans | -87.4 | 75.6 | 174.2 | -76.1 | -169.4 | -2 | 0 | 0 | 111.6 | ||||
| 441 | K | 42.2 | Very low | 53.7 | Low | 190 Ų | 190 | 106 Ų | 106 | 83% | 0.826 | 59% | 0.588 | S | S | * | * | trans | -137.4 | 57.5 | 157 | -156.6 | -171.1 | -169 | -172.7 | 0 | 108 | K439 | K439-K441 VanDerWaalsContact C-N 3.34Å; K439-K441 PolarHBondContact O-N 3.37Å; K439-K441 VanDerWaalsContact O-N 3.1Å | ||
| 442 | D | 33 | Very low | 52 | Low | 142 Ų | 142 | 105.1 Ų | 105.1 | 76% | 0.759 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -178.3 | 110.1 | 150.6 | -86 | -27.3 | 0 | 0 | 0 | 109 | T444 | D442-T444 PolarHBondContact O-N 3.23Å; D442-T444 PolarHBondContact O-OG1 3.28Å |
| 443 | G | 41.6 | Very low | 50.4 | Low | 94 Ų | 94 | 107.9 Ų | 107.9 | 97% | 0.969 | 59% | 0.592 | S | S | * | * | 51.5 | -4.7 | 125.4 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 444 | T | 31 | Very low | 49.1 | Very low | 119 Ų | 119 | 109 Ų | 109 | 73% | 0.73 | 60% | 0.599 | S | S | * | * | trans | -103.9 | 103.8 | 173 | 16.1 | 0 | 0 | 0 | 0 | 108.2 | D442 F446 | D442-T444 PolarHBondContact O-N 3.23Å; D442-T444 PolarHBondContact O-OG1 3.28Å; T444-F446 VanDerWaalsContact C-N 3.28Å; T444-F446 PolarHBondContact O-N 3.41Å | ||
| 445 | S | 39.3 | Very low | 47.4 | Very low | 113 Ų | 113 | 108 Ų | 108 | 79% | 0.79 | 60% | 0.598 | S | S | * | * | trans | -47.3 | 100.8 | 155.6 | 169.8 | 0 | 0 | 0 | 0 | 106.8 | G447 | S445-G447 PolarHBondContact O-N 3.46Š| ||
| 446 | F | 35.9 | Very low | 46 | Very low | 160 Ų | 160 | 100.6 Ų | 100.6 | 70% | 0.702 | 56% | 0.563 | S | S | * | * | trans | -55.2 | 106.6 | 175 | -151.6 | -94.2 | 0 | 0 | 0 | 105.4 | T444 Y449 | T444-F446 VanDerWaalsContact C-N 3.28Å; T444-F446 PolarHBondContact O-N 3.41Å; F446-Y449 HydrophobicContact CE1-CD2 4.43Å | ||
| 447 | G | 35.6 | Very low | 45.3 | Very low | 50 Ų | 50 | 103.8 Ų | 103.8 | 52% | 0.515 | 57% | 0.57 | S | S | . | * | trans | -51.5 | 144.5 | -164.2 | 0 | 0 | 0 | 0 | 0 | 111 | S445 Y449 | S445-G447 PolarHBondContact O-N 3.46Å; G447-Y449 VanDerWaalsContact C-N 3.32Å; G447-Y449 PolarHBondContact O-N 2.99Å | ||
| 448 | E | 39 | Very low | 45.3 | Very low | 196 Ų | 196 | 99.3 Ų | 99.3 | 92% | 0.916 | 55% | 0.551 | S | S | * | * | trans | -18.6 | 83.7 | 165.4 | -66 | 174.2 | 136.3 | 0 | 0 | 114.2 | G450 | E448-G450 PolarHBondContact O-N 3.27Š| ||
| 449 | Y | 45.5 | Very low | 45.9 | Very low | 99 Ų | 99 | 99.1 Ų | 99.1 | 39% | 0.388 | 53% | 0.532 | S | S | . | . | trans | -78.4 | 72.3 | 167 | -123.2 | -86.2 | 0 | 0 | 0 | 106.8 | H429 F446 G447 G451 W452 | H429-Y449 AromaticContact CE1-CD1 3.55Å; H429-Y449 AromaticContact CE1-CE1 3.4Å; H429-Y449 WeakPolarHBondContact CE1-CE1 3.44Å; F446-Y449 HydrophobicContact CE1-CD2 4.43Å; G447-Y449 VanDerWaalsContact C-N 3.32Å; G447-Y449 PolarHBondContact O-N 2.99Å; Y449-G451 PolarHBondContact O-N 3.45Å; Y449-W452 VanDerWaalsContact O-CD1 3.26Å | ||
| 450 | G | 43.3 | Very low | 47 | Very low | 47 Ų | 47 | 91.6 Ų | 91.6 | 49% | 0.485 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | 7.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | E448 | E448-G450 PolarHBondContact O-N 3.27Š|
| 451 | G | 45.9 | Very low | 48.8 | Very low | 24 Ų | 24 | 87.9 Ų | 87.9 | 25% | 0.247 | 50% | 0.495 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -43 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y449 Y453 K454 | Y449-G451 PolarHBondContact O-N 3.45Å; G451-Y453 VanDerWaalsContact C-N 3.25Å; G451-Y453 PolarHBondContact O-N 3.49Å; G451-K454 VanDerWaalsContact O-CB 3.23Å; G451-K454 WeakPolarHBondContact O-CB 3.37Å; G451-K454 PolarHBondContact O-N 3.44Å |
| 452 | W | 52 | Low | 50.9 | Low | 14 Ų | 14 | 79.7 Ų | 79.7 | 5% | 0.053 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -67.9 | -24.8 | -173.2 | 78.7 | -88.7 | 0 | 0 | 0 | 113.7 | I426 Y449 K454 A455 C456 E488 A489 R492 | I426-W452 HydrophobicContact CD1-CE3 4.44Å; Y449-W452 VanDerWaalsContact O-CD1 3.26Å; W452-K454 PolarHBondContact O-N 3.2Å; W452-A455 PolarHBondContact O-N 2.81Å; W452-C456 VanDerWaalsContact CE3-SG 3.53Å; W452-C456 PolarHBondContact O-N 2.93Å; W452-C456 PolarHBondContact O-SG 3.13Å; W452-C456 VanDerWaalsContact O-SG 3.36Å; W452-E488 HydrophobicContact CH2-CG 4.45Å; W452-A489 HydrophobicContact CZ3-CB 4.4Å; W452-R492 VanDerWaalsContact CH2-CZ 3.43Å |
| 453 | Y | 51.8 | Low | 53.5 | Low | 122 Ų | 122 | 73.4 Ų | 73.4 | 48% | 0.478 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.4 | -28.8 | 171.3 | -76.1 | -94.1 | 0 | 0 | 0 | 112.2 | G451 C456 R492 | G451-Y453 VanDerWaalsContact C-N 3.25Å; G451-Y453 PolarHBondContact O-N 3.49Å; Y453-C456 PolarHBondContact O-N 3.15Å; Y453-R492 PolarHBondContact OH-NH1 2.89Å |
| 454 | K | 52.1 | Low | 55.7 | Low | 110 Ų | 110 | 69.9 Ų | 69.9 | 48% | 0.478 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -69.6 | -46.1 | 176.3 | -58.3 | -177.5 | -179.8 | 173.7 | 0 | 109.8 | F416 G451 W452 C456 K457 | F416-K454 HydrophobicContact CD1-CB 3.89Å; F416-K454 HydrophobicContact CD1-CD 4.41Å; F416-K454 HydrophobicContact CE1-CB 3.41Å; F416-K454 VanDerWaalsContact CE1-CB 3.41Å; F416-K454 HydrophobicContact CE1-CD 4.5Å; F416-K454 HydrophobicContact CE1-CG 4.44Å; F416-K454 HydrophobicContact CE2-CB 4.43Å; F416-K454 HydrophobicContact CZ-CB 3.74Å; F416-K454 WeakPolarHBondContact CZ-O 3.24Å; G451-K454 VanDerWaalsContact O-CB 3.23Å; G451-K454 WeakPolarHBondContact O-CB 3.37Å; G451-K454 PolarHBondContact O-N 3.44Å; W452-K454 PolarHBondContact O-N 3.2Å; K454-C456 PolarHBondContact O-N 3.39Å; K454-C456 VanDerWaalsContact O-N 3.1Å; K454-K457 VanDerWaalsContact O-CB 3.26Å; K454-K457 WeakPolarHBondContact O-CB 3.38Å; K454-K457 WeakPolarHBondContact O-CG 3.44Å; K454-K457 PolarHBondContact O-N 2.99Å |
| 455 | A | 47.1 | Very low | 58.6 | Low | 16 Ų | 16 | 67.3 Ų | 67.3 | 13% | 0.132 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.6 | -22.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | F416 I426 W452 K457 | F416-A455 HydrophobicContact CE2-CB 4.35Å; I426-A455 HydrophobicContact CB-CB 4.2Å; I426-A455 HydrophobicContact CD1-CB 4.33Å; W452-A455 PolarHBondContact O-N 2.81Å; A455-K457 VanDerWaalsContact C-N 3.29Å; A455-K457 PolarHBondContact O-N 3.08Å |
| 456 | C | 50.3 | Low | 61.1 | Low | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.034 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -9.5 | 174.8 | -64.7 | 0 | 0 | 0 | 0 | 114.2 | W452 Y453 K454 V458 A489 | W452-C456 VanDerWaalsContact CE3-SG 3.53Å; W452-C456 PolarHBondContact O-N 2.93Å; W452-C456 PolarHBondContact O-SG 3.13Å; W452-C456 VanDerWaalsContact O-SG 3.36Å; Y453-C456 PolarHBondContact O-N 3.15Å; K454-C456 PolarHBondContact O-N 3.39Å; K454-C456 VanDerWaalsContact O-N 3.1Å; C456-V458 PolarHBondContact O-N 2.87Å; C456-A489 VanDerWaalsContact SG-CB 3.6Å |
| 457 | K | 54.3 | Low | 63.7 | Low | 132 Ų | 132 | 54.7 Ų | 54.7 | 57% | 0.574 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -7.3 | 178.3 | -65.6 | -176.5 | 176 | -177.2 | 0 | 113.6 | K454 A455 D459 | K454-K457 VanDerWaalsContact O-CB 3.26Å; K454-K457 WeakPolarHBondContact O-CB 3.38Å; K454-K457 WeakPolarHBondContact O-CG 3.44Å; K454-K457 PolarHBondContact O-N 2.99Å; A455-K457 VanDerWaalsContact C-N 3.29Å; A455-K457 PolarHBondContact O-N 3.08Å; K457-D459 PolarHBondContact O-N 3.47Å |
| 458 | V | 59.1 | Low | 66.4 | Low | 7 Ų | 7 | 56.2 Ų | 56.2 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | trans | -77.6 | 87 | -178.1 | -167.3 | 0 | 0 | 0 | 0 | 109.9 | A411 E415 F416 C456 S460 V463 | A411-V458 HydrophobicContact CB-CG1 4.44Å; E415-V458 HydrophobicContact CB-CG2 4.32Å; E415-V458 HydrophobicContact CG-CG1 4.44Å; E415-V458 HydrophobicContact CG-CG2 3.69Å; F416-V458 HydrophobicContact CE2-CG2 4.32Å; C456-V458 PolarHBondContact O-N 2.87Å; V458-S460 PolarHBondContact O-N 2.8Å; V458-V463 HydrophobicContact CG1-CG2 4.25Å | ||
| 459 | D | 63.7 | Low | 68.9 | Low | 71 Ų | 71 | 49.3 Ų | 49.3 | 38% | 0.38 | 26% | 0.264 | S | S | . | . | trans | -77.5 | 71.4 | 178.7 | -78.2 | -22.2 | 0 | 0 | 0 | 111.6 | K457 S493 | K457-D459 PolarHBondContact O-N 3.47Å; D459-S493 PolarHBondContact OD1-OG 2.63Å | ||
| 460 | S | 77.7 | Confident | 71.2 | Confident | 30 Ų | 30 | 44.6 Ų | 44.6 | 21% | 0.21 | 25% | 0.246 | C | C | . | . | trans | -118.8 | 122.5 | 168.8 | 175.2 | 0 | 0 | 0 | 0 | 110.4 | V458 T462 V463 T464 | V458-S460 PolarHBondContact O-N 2.8Å; S460-T462 PolarHBondContact O-N 3.2Å; S460-V463 WeakPolarHBondContact O-CB 3.32Å; S460-V463 PolarHBondContact O-N 3.31Å; S460-T464 PolarHBondContact O-N 3.27Å; S460-T464 PolarHBondContact O-OG1 2.62Å | ||
| 461 | P | 84.8 | Confident | 73.5 | Confident | 104 Ų | 104 | 42.4 Ų | 42.4 | 68% | 0.675 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -54 | -30.7 | 176.6 | -26.4 | 33.7 | 0 | 0 | 0 | 113.4 | T465 | P461-T465 WeakPolarHBondContact O-CB 3.47Å; P461-T465 PolarHBondContact O-N 3.4Å; P461-T465 PolarHBondContact O-OG1 2.85Å |
| 462 | T | 85.8 | Confident | 75.7 | Confident | 18 Ų | 18 | 43 Ų | 43 | 11% | 0.11 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.1 | -45.7 | 176.3 | -56.8 | 0 | 0 | 0 | 0 | 110.9 | A381 K382 N385 S460 T465 T466 | A381-T462 HydrophobicContact CB-CG2 3.85Å; K382-T462 HydrophobicContact CG-CG2 4.07Å; N385-T462 WeakPolarHBondContact ND2-CG2 3.34Å; N385-T462 PolarHBondContact ND2-O 3.04Å; S460-T462 PolarHBondContact O-N 3.2Å; T462-T465 WeakPolarHBondContact O-CB 3.46Å; T462-T465 PolarHBondContact O-N 2.81Å; T462-T466 PolarHBondContact O-N 3.26Å; T462-T466 PolarHBondContact O-OG1 3.45Å |
| 463 | V | 87.2 | Confident | 77.7 | Confident | 11 Ų | 11 | 42.5 Ų | 42.5 | 7% | 0.067 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.3 | -42.9 | 176 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | L408 A411 V458 S460 T465 T466 L467 | L408-V463 HydrophobicContact CD2-CG1 3.97Å; A411-V463 HydrophobicContact CB-CG2 3.88Å; V458-V463 HydrophobicContact CG1-CG2 4.25Å; S460-V463 WeakPolarHBondContact O-CB 3.32Å; S460-V463 PolarHBondContact O-N 3.31Å; V463-T465 VanDerWaalsContact C-N 3.26Å; V463-T465 PolarHBondContact O-N 3.1Å; V463-T466 WeakPolarHBondContact O-CB 3.4Å; V463-T466 PolarHBondContact O-N 3.06Å; V463-T466 VanDerWaalsContact O-N 3.14Å; V463-L467 HydrophobicContact CG1-CD1 4.37Å; V463-L467 HydrophobicContact CG1-CG 4.5Å; V463-L467 WeakPolarHBondContact O-CG 3.43Å; V463-L467 PolarHBondContact O-N 3.45Å |
| 464 | T | 88.8 | Confident | 79.6 | Confident | 19 Ų | 19 | 36.7 Ų | 36.7 | 12% | 0.117 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.3 | -38.5 | 174.5 | -44.5 | 0 | 0 | 0 | 0 | 112 | S460 K468 A490 | S460-T464 PolarHBondContact O-N 3.27Å; S460-T464 PolarHBondContact O-OG1 2.62Å; T464-K468 WeakPolarHBondContact O-CG 3.44Å; T464-K468 PolarHBondContact O-N 2.87Å; T464-A490 HydrophobicContact CG2-CB 4.16Å |
| 465 | T | 90.7 | Very high | 81.5 | Confident | 66 Ų | 66 | 35.9 Ų | 35.9 | 41% | 0.405 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -68 | -41.5 | 177 | -57.4 | 0 | 0 | 0 | 0 | 110.9 | P461 T462 V463 K468 N469 | P461-T465 WeakPolarHBondContact O-CB 3.47Å; P461-T465 PolarHBondContact O-N 3.4Å; P461-T465 PolarHBondContact O-OG1 2.85Å; T462-T465 WeakPolarHBondContact O-CB 3.46Å; T462-T465 PolarHBondContact O-N 2.81Å; V463-T465 VanDerWaalsContact C-N 3.26Å; V463-T465 PolarHBondContact O-N 3.1Å; T465-K468 PolarHBondContact O-N 3.21Å; T465-N469 WeakPolarHBondContact O-CB 3.46Å; T465-N469 VanDerWaalsContact O-CG 3.23Å; T465-N469 PolarHBondContact O-N 3.01Å; T465-N469 PolarHBondContact O-ND2 3.17Å |
| 466 | T | 91.6 | Very high | 83.6 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.7 | -47.8 | 174.2 | -56.5 | 0 | 0 | 0 | 0 | 111.8 | N385 Y404 I407 L408 T462 V463 K468 N469 L470 | N385-T466 VanDerWaalsContact CG-OG1 3.23Å; N385-T466 PolarHBondContact ND2-OG1 3.37Å; N385-T466 PolarHBondContact OD1-OG1 2.96Å; Y404-T466 HydrophobicContact CD1-CG2 3.73Å; Y404-T466 HydrophobicContact CG-CG2 4.03Å; Y404-T466 WeakPolarHBondContact O-CG2 3.48Å; I407-T466 HydrophobicContact CB-CG2 4.05Å; I407-T466 HydrophobicContact CD1-CG2 4.32Å; I407-T466 HydrophobicContact CG2-CG2 4.08Å; L408-T466 HydrophobicContact CD1-CG2 4.29Å; L408-T466 HydrophobicContact CD2-CG2 3.89Å; L408-T466 HydrophobicContact CG-CG2 3.74Å; T462-T466 PolarHBondContact O-N 3.26Å; T462-T466 PolarHBondContact O-OG1 3.45Å; V463-T466 WeakPolarHBondContact O-CB 3.4Å; V463-T466 PolarHBondContact O-N 3.06Å; V463-T466 VanDerWaalsContact O-N 3.14Å; T466-K468 VanDerWaalsContact C-N 3.34Å; T466-K468 PolarHBondContact O-N 3.39Å; T466-N469 PolarHBondContact O-N 3.18Å; T466-L470 WeakPolarHBondContact O-CB 3.4Å; T466-L470 PolarHBondContact O-N 2.95Å |
| 467 | L | 91.1 | Very high | 85.4 | Confident | 8 Ų | 8 | 47 Ų | 47 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.5 | -46.5 | 177.4 | -71.8 | 171.3 | 0 | 0 | 0 | 111.8 | L408 I426 V463 G471 L486 A489 A490 | L408-L467 HydrophobicContact CD1-CD2 3.91Å; L408-L467 HydrophobicContact CD2-CD2 3.6Å; L408-L467 HydrophobicContact CD2-CG 3.86Å; L408-L467 HydrophobicContact CG-CD2 4.43Å; I426-L467 HydrophobicContact CD1-CD2 4.49Å; I426-L467 HydrophobicContact CG2-CD2 3.74Å; V463-L467 HydrophobicContact CG1-CD1 4.37Å; V463-L467 HydrophobicContact CG1-CG 4.5Å; V463-L467 WeakPolarHBondContact O-CG 3.43Å; V463-L467 PolarHBondContact O-N 3.45Å; L467-G471 PolarHBondContact O-N 2.83Å; L467-L486 HydrophobicContact CD2-CD2 3.82Å; L467-A489 HydrophobicContact CD1-CB 4.26Å; L467-A490 HydrophobicContact CB-CB 3.87Å; L467-A490 HydrophobicContact CD1-CB 4.24Å |
| 468 | K | 91.6 | Very high | 87.1 | Confident | 81 Ų | 81 | 42.5 Ų | 42.5 | 35% | 0.352 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.5 | -44.4 | 177.9 | -72.1 | 175.1 | 179.3 | 176.5 | 0 | 112.6 | T464 T465 T466 G471 A472 A490 | T464-K468 WeakPolarHBondContact O-CG 3.44Å; T464-K468 PolarHBondContact O-N 2.87Å; T465-K468 PolarHBondContact O-N 3.21Å; T466-K468 VanDerWaalsContact C-N 3.34Å; T466-K468 PolarHBondContact O-N 3.39Å; K468-G471 PolarHBondContact O-N 3.31Å; K468-A472 WeakPolarHBondContact O-CB 3.42Å; K468-A472 PolarHBondContact O-N 3.38Å; K468-A490 HydrophobicContact CG-CB 3.95Å |
| 469 | N | 93.3 | Very high | 88.6 | Confident | 52 Ų | 52 | 45 Ų | 45 | 28% | 0.278 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -69.3 | -38.6 | -178.3 | -68.7 | -20.3 | 0 | 0 | 0 | 111.7 | Y404 T465 T466 A472 L473 | Y404-N469 HydrophobicContact CD2-CB 4.28Å; Y404-N469 HydrophobicContact CE1-CB 4.05Å; Y404-N469 HydrophobicContact CE2-CB 3.54Å; Y404-N469 VanDerWaalsContact CZ-CB 3.41Å; Y404-N469 WeakPolarHBondContact OH-CB 3.12Å; Y404-N469 PolarHBondContact OH-ND2 2.95Å; T465-N469 WeakPolarHBondContact O-CB 3.46Å; T465-N469 VanDerWaalsContact O-CG 3.23Å; T465-N469 PolarHBondContact O-N 3.01Å; T465-N469 PolarHBondContact O-ND2 3.17Å; T466-N469 PolarHBondContact O-N 3.18Å; N469-A472 PolarHBondContact O-N 2.9Å; N469-L473 PolarHBondContact O-N 3.33Å |
| 470 | L | 93.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.3 | -42.2 | 174.3 | -174.5 | 61.7 | 0 | 0 | 0 | 111.7 | E401 Y404 K405 L408 W427 T466 A472 L473 Y474 L486 | E401-L470 HydrophobicContact CG-CD1 3.79Å; Y404-L470 HydrophobicContact CD2-CB 4.28Å; Y404-L470 HydrophobicContact CD2-CD1 4.48Å; Y404-L470 HydrophobicContact CG-CB 4.47Å; K405-L470 HydrophobicContact CG-CD2 4.43Å; L408-L470 HydrophobicContact CD1-CD2 3.55Å; W427-L470 HydrophobicContact CB-CD2 3.87Å; T466-L470 WeakPolarHBondContact O-CB 3.4Å; T466-L470 PolarHBondContact O-N 2.95Å; L470-A472 VanDerWaalsContact C-N 3.29Å; L470-A472 PolarHBondContact O-N 3.39Å; L470-L473 HydrophobicContact CD1-CD1 4.48Å; L470-L473 WeakPolarHBondContact O-CB 3.31Å; L470-L473 PolarHBondContact O-N 3.48Å; L470-L473 VanDerWaalsContact O-N 3.08Å; L470-Y474 HydrophobicContact CD1-CD1 4.39Å; L470-Y474 HydrophobicContact CD1-CE1 3.91Å; L470-Y474 HydrophobicContact CD2-CE2 4.39Å; L470-Y474 HydrophobicContact CG-CE1 4.42Å; L470-Y474 HydrophobicContact CG-CE2 4.15Å; L470-Y474 PolarHBondContact O-N 2.94Å; L470-L486 HydrophobicContact CB-CD1 4.02Å; L470-L486 HydrophobicContact CD2-CD1 3.76Å; L470-L486 HydrophobicContact CG-CD1 3.63Å |
| 471 | G | 91.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.7 | -39.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L467 K468 L473 Y474 R475 A483 | L467-G471 PolarHBondContact O-N 2.83Å; K468-G471 PolarHBondContact O-N 3.31Å; G471-L473 PolarHBondContact O-N 2.69Å; G471-Y474 PolarHBondContact O-N 3.25Å; G471-R475 PolarHBondContact O-N 3.43Å; G471-A483 VanDerWaalsContact O-CB 3.25Å; G471-A483 WeakPolarHBondContact O-CB 3.41Å |
| 472 | A | 92.6 | Very high | 90.2 | Very high | 37 Ų | 37 | 44.2 Ų | 44.2 | 31% | 0.306 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.7 | -37.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K468 N469 L470 R476 | K468-A472 WeakPolarHBondContact O-CB 3.42Å; K468-A472 PolarHBondContact O-N 3.38Å; N469-A472 PolarHBondContact O-N 2.9Å; L470-A472 VanDerWaalsContact C-N 3.29Å; L470-A472 PolarHBondContact O-N 3.39Å; A472-R476 WeakPolarHBondContact O-CG 3.45Å; A472-R476 PolarHBondContact O-N 2.92Å |
| 473 | L | 92.9 | Very high | 90.4 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.9 | -46.6 | 172.8 | -82.4 | 177.6 | 0 | 0 | 0 | 112 | L392 F397 A400 E401 Y404 N469 L470 G471 R475 R476 Q477 | L392-L473 HydrophobicContact CD2-CD1 4.06Å; L392-L473 HydrophobicContact CD2-CD2 3.43Å; L392-L473 VanDerWaalsContact CD2-CD2 3.43Å; L392-L473 HydrophobicContact CD2-CG 3.93Å; F397-L473 HydrophobicContact CB-CD2 4.15Å; F397-L473 HydrophobicContact CD1-CD2 3.74Å; F397-L473 HydrophobicContact CG-CD2 4.33Å; A400-L473 HydrophobicContact CB-CD1 4.24Å; E401-L473 HydrophobicContact CB-CD1 4.16Å; Y404-L473 HydrophobicContact CD2-CD1 3.73Å; Y404-L473 HydrophobicContact CE2-CD1 3.81Å; N469-L473 PolarHBondContact O-N 3.33Å; L470-L473 HydrophobicContact CD1-CD1 4.48Å; L470-L473 WeakPolarHBondContact O-CB 3.31Å; L470-L473 PolarHBondContact O-N 3.48Å; L470-L473 VanDerWaalsContact O-N 3.08Å; G471-L473 PolarHBondContact O-N 2.69Å; L473-R475 VanDerWaalsContact C-N 3.34Å; L473-R475 PolarHBondContact O-N 3.07Å; L473-R476 WeakPolarHBondContact O-CA 3.38Å; L473-R476 WeakPolarHBondContact O-CB 3.5Å; L473-R476 PolarHBondContact O-N 3.36Å; L473-Q477 WeakPolarHBondContact O-CG 3.46Å; L473-Q477 PolarHBondContact O-N 2.82Å |
| 474 | Y | 92.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.5 | -38.8 | 178.3 | -75 | -11.2 | 0 | 0 | 0 | 112.8 | E401 K405 E431 L470 G471 R476 Q477 G478 K479 A482 L486 | E401-Y474 HydrophobicContact CG-CE1 4.29Å; K405-Y474 WeakPolarHBondContact CE-OH 3.48Å; K405-Y474 PolarHBondContact NZ-OH 3.35Å; E431-Y474 VanDerWaalsContact CD-OH 3.25Å; E431-Y474 HydrophobicContact CG-CE2 4.15Å; E431-Y474 WeakPolarHBondContact CG-OH 3.37Å; E431-Y474 PolarHBondContact OE1-OH 2.81Å; E431-Y474 VanDerWaalsContact OE1-OH 3.06Å; L470-Y474 HydrophobicContact CD1-CD1 4.39Å; L470-Y474 HydrophobicContact CD1-CE1 3.91Å; L470-Y474 HydrophobicContact CD2-CE2 4.39Å; L470-Y474 HydrophobicContact CG-CE1 4.42Å; L470-Y474 HydrophobicContact CG-CE2 4.15Å; L470-Y474 PolarHBondContact O-N 2.94Å; G471-Y474 PolarHBondContact O-N 3.25Å; Y474-R476 VanDerWaalsContact C-N 3.3Å; Y474-R476 PolarHBondContact O-N 3.46Å; Y474-Q477 CarbonylContact O-C 3.56Å; Y474-Q477 PolarHBondContact O-N 2.92Å; Y474-Q477 VanDerWaalsContact O-N 3.1Å; Y474-G478 PolarHBondContact O-N 2.85Å; Y474-G478 VanDerWaalsContact O-N 3.12Å; Y474-K479 HydrophobicContact CD1-CD 4.1Å; Y474-K479 HydrophobicContact CE1-CD 4.46Å; Y474-K479 HydrophobicContact CG-CB 4.49Å; Y474-K479 HydrophobicContact CG-CD 4.4Å; Y474-K479 PolarHBondContact O-N 3.21Å; Y474-A482 HydrophobicContact CD2-CB 3.55Å; Y474-A482 HydrophobicContact CE2-CB 4.01Å; Y474-A482 HydrophobicContact CG-CB 4.26Å; Y474-L486 HydrophobicContact CD2-CD1 3.52Å; Y474-L486 HydrophobicContact CE2-CD1 3.53Å |
| 475 | R | 92 | Very high | 90.3 | Very high | 93 Ų | 93 | 48.7 Ų | 48.7 | 35% | 0.351 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -56.9 | -42.6 | 169.1 | -91.2 | -164.4 | -66.7 | -91.1 | -0.9 | 113.1 | G471 L473 Q477 G478 F480 A483 E487 | G471-R475 PolarHBondContact O-N 3.43Å; L473-R475 VanDerWaalsContact C-N 3.34Å; L473-R475 PolarHBondContact O-N 3.07Å; R475-Q477 PolarHBondContact O-N 3.33Å; R475-G478 PolarHBondContact O-N 2.85Å; R475-G478 VanDerWaalsContact O-N 3.15Å; R475-F480 HydrophobicContact CG-CD1 4.26Å; R475-A483 HydrophobicContact CB-CB 4.42Å; R475-A483 HydrophobicContact CG-CB 3.65Å; R475-E487 IonicContact CZ-OE1 3.29Å; R475-E487 IonicContact CZ-OE2 3.98Å; R475-E487 IonicContact NH1-OE1 3.61Å; R475-E487 PolarHBondContact NH1-OE1 2.97Å; R475-E487 IonicContact NH1-OE2 3.06Å; R475-E487 PolarHBondContact NH1-OE2 2.98Å; R475-E487 IonicContact NH2-OE1 3.58Å; R475-E487 PolarHBondContact NH2-OE1 2.89Å |
| 476 | R | 89.4 | Confident | 90.1 | Very high | 174 Ų | 174 | 45.6 Ų | 45.6 | 66% | 0.657 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -66.9 | -27.2 | 178.3 | -69.2 | 177.5 | 69.2 | 150.8 | 7 | 112.5 | A472 L473 Y474 G478 | A472-R476 WeakPolarHBondContact O-CG 3.45Å; A472-R476 PolarHBondContact O-N 2.92Å; L473-R476 WeakPolarHBondContact O-CA 3.38Å; L473-R476 WeakPolarHBondContact O-CB 3.5Å; L473-R476 PolarHBondContact O-N 3.36Å; Y474-R476 VanDerWaalsContact C-N 3.3Å; Y474-R476 PolarHBondContact O-N 3.46Å; R476-G478 VanDerWaalsContact C-N 3.33Å |
| 477 | Q | 90 | Very high | 89.8 | Confident | 81 Ų | 81 | 48.7 Ų | 48.7 | 38% | 0.379 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -83.4 | -8 | 175.2 | -65.3 | 176.1 | 10.3 | 0 | 0 | 113.2 | E401 L473 Y474 R475 K479 | E401-Q477 PolarHBondContact OE2-NE2 3.06Å; L473-Q477 WeakPolarHBondContact O-CG 3.46Å; L473-Q477 PolarHBondContact O-N 2.82Å; Y474-Q477 CarbonylContact O-C 3.56Å; Y474-Q477 PolarHBondContact O-N 2.92Å; Y474-Q477 VanDerWaalsContact O-N 3.1Å; R475-Q477 PolarHBondContact O-N 3.33Å; Q477-K479 HydrophobicContact CB-CG 4.46Å |
| 478 | G | 88.7 | Confident | 89.5 | Confident | 36 Ų | 36 | 52.1 Ų | 52.1 | 37% | 0.371 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | 5.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y474 R475 R476 F480 | Y474-G478 PolarHBondContact O-N 2.85Å; Y474-G478 VanDerWaalsContact O-N 3.12Å; R475-G478 PolarHBondContact O-N 2.85Å; R475-G478 VanDerWaalsContact O-N 3.15Å; R476-G478 VanDerWaalsContact C-N 3.33Å; G478-F480 WeakPolarHBondContact O-CD2 3.46Å; G478-F480 PolarHBondContact O-N 3.1Å; G478-F480 VanDerWaalsContact O-N 3.16Å |
| 479 | K | 91 | Very high | 89 | Confident | 60 Ų | 60 | 48.2 Ų | 48.2 | 26% | 0.261 | 23% | 0.23 | S | C | . | . | trans | -84.2 | 76.9 | 175.1 | -61 | 177.9 | 175.9 | 172.9 | 0 | 110.3 | E431 E434 Y474 Q477 A482 A483 | E431-K479 IonicContact OE1-NZ 3.12Å; E431-K479 PolarHBondContact OE1-NZ 3.36Å; E434-K479 HydrophobicContact CG-CB 4.07Å; E434-K479 HydrophobicContact CG-CG 4.2Å; E434-K479 VanDerWaalsContact OE2-CA 3.25Å; E434-K479 WeakPolarHBondContact OE2-CA 3.24Å; Y474-K479 HydrophobicContact CD1-CD 4.1Å; Y474-K479 HydrophobicContact CE1-CD 4.46Å; Y474-K479 HydrophobicContact CG-CB 4.49Å; Y474-K479 HydrophobicContact CG-CD 4.4Å; Y474-K479 PolarHBondContact O-N 3.21Å; Q477-K479 HydrophobicContact CB-CG 4.46Å; K479-A482 HydrophobicContact CB-CB 4.01Å; K479-A483 WeakPolarHBondContact O-CB 3.31Å; K479-A483 PolarHBondContact O-N 2.8Å; K479-A483 VanDerWaalsContact O-N 3.15Å | ||
| 480 | F | 88.1 | Confident | 88.5 | Confident | 124 Ų | 124 | 45.8 Ų | 45.8 | 54% | 0.544 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -72.9 | -36 | -171.6 | -65.3 | -76.4 | 0 | 0 | 0 | 114.3 | E434 R475 G478 A483 E484 | E434-F480 PolarHBondContact OE2-N 3.37Å; R475-F480 HydrophobicContact CG-CD1 4.26Å; G478-F480 WeakPolarHBondContact O-CD2 3.46Å; G478-F480 PolarHBondContact O-N 3.1Å; G478-F480 VanDerWaalsContact O-N 3.16Å; F480-A483 PolarHBondContact O-N 2.96Å; F480-E484 PolarHBondContact O-N 3.2Å |
| 481 | E | 85.1 | Confident | 87.6 | Confident | 65 Ų | 65 | 51.3 Ų | 51.3 | 30% | 0.304 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -74 | -37.8 | 179.1 | -70.3 | -179.6 | 173.7 | 0 | 0 | 111.4 | E434 K437 A483 E484 T485 | E434-E481 WeakPolarHBondContact OE2-CA 3.22Å; E434-E481 WeakPolarHBondContact OE2-CB 3.27Å; E434-E481 PolarHBondContact OE2-N 3.48Å; K437-E481 WeakPolarHBondContact CB-OE2 3.43Å; K437-E481 HydrophobicContact CD-CG 4.02Å; K437-E481 WeakPolarHBondContact CD-OE1 3.49Å; K437-E481 WeakPolarHBondContact CD-OE2 3.35Å; K437-E481 WeakPolarHBondContact CE-OE1 3.46Å; K437-E481 VanDerWaalsContact CG-OE1 3.26Å; K437-E481 WeakPolarHBondContact CG-OE1 3.11Å; K437-E481 IonicContact NZ-OE1 2.81Å; E481-A483 VanDerWaalsContact C-N 3.29Å; E481-A483 PolarHBondContact O-N 3.14Å; E481-E484 PolarHBondContact O-N 3.12Å; E481-T485 WeakPolarHBondContact O-CB 3.44Å; E481-T485 PolarHBondContact O-N 3.06Å; E481-T485 PolarHBondContact O-OG1 2.88Å |
| 482 | A | 87.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | A430 E434 Y474 K479 L486 | A430-A482 HydrophobicContact CB-CB 4.1Å; A430-A482 VanDerWaalsContact O-CA 3.3Å; A430-A482 WeakPolarHBondContact O-CA 3.4Å; A430-A482 WeakPolarHBondContact O-CB 3.45Å; E434-A482 HydrophobicContact CB-CB 4.29Å; E434-A482 PolarHBondContact OE2-N 3.11Å; Y474-A482 HydrophobicContact CD2-CB 3.55Å; Y474-A482 HydrophobicContact CE2-CB 4.01Å; Y474-A482 HydrophobicContact CG-CB 4.26Å; K479-A482 HydrophobicContact CB-CB 4.01Å; A482-L486 WeakPolarHBondContact O-CG 3.41Å; A482-L486 PolarHBondContact O-N 2.99Å |
| 483 | A | 89.7 | Confident | 85.2 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.4 | -44.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | G471 R475 K479 F480 E481 T485 L486 E487 | G471-A483 VanDerWaalsContact O-CB 3.25Å; G471-A483 WeakPolarHBondContact O-CB 3.41Å; R475-A483 HydrophobicContact CB-CB 4.42Å; R475-A483 HydrophobicContact CG-CB 3.65Å; K479-A483 WeakPolarHBondContact O-CB 3.31Å; K479-A483 PolarHBondContact O-N 2.8Å; K479-A483 VanDerWaalsContact O-N 3.15Å; F480-A483 PolarHBondContact O-N 2.96Å; E481-A483 VanDerWaalsContact C-N 3.29Å; E481-A483 PolarHBondContact O-N 3.14Å; A483-T485 VanDerWaalsContact C-N 3.34Å; A483-T485 PolarHBondContact O-N 3.02Å; A483-L486 PolarHBondContact O-N 2.94Å; A483-E487 WeakPolarHBondContact O-CG 3.49Å; A483-E487 PolarHBondContact O-N 3.49Å |
| 484 | E | 87.3 | Confident | 83.3 | Confident | 133 Ų | 133 | 59.2 Ų | 59.2 | 62% | 0.621 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61.8 | -42.9 | 178.1 | -175.2 | 171.9 | -160.7 | 0 | 0 | 111.5 | F480 E481 L486 E487 E488 | F480-E484 PolarHBondContact O-N 3.2Å; E481-E484 PolarHBondContact O-N 3.12Å; E484-L486 PolarHBondContact O-N 3.44Å; E484-E487 PolarHBondContact O-N 3.43Å; E484-E488 WeakPolarHBondContact O-CB 3.31Å; E484-E488 PolarHBondContact O-N 3.29Å |
| 485 | T | 86.1 | Confident | 81.5 | Confident | 9 Ų | 9 | 65.8 Ų | 65.8 | 6% | 0.055 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.9 | -45 | 177 | -62.4 | 0 | 0 | 0 | 0 | 111.9 | A430 R433 E481 A483 A489 | A430-T485 HydrophobicContact CB-CG2 4.04Å; R433-T485 WeakPolarHBondContact CD-OG1 3.33Å; R433-T485 PolarHBondContact NH1-OG1 3.3Å; E481-T485 WeakPolarHBondContact O-CB 3.44Å; E481-T485 PolarHBondContact O-N 3.06Å; E481-T485 PolarHBondContact O-OG1 2.88Å; A483-T485 VanDerWaalsContact C-N 3.34Å; A483-T485 PolarHBondContact O-N 3.02Å; T485-A489 PolarHBondContact O-N 3.06Å |
| 486 | L | 86.5 | Confident | 79.6 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.2 | -35.4 | 177.9 | -70.2 | 177.6 | 0 | 0 | 0 | 112.9 | I426 A430 L467 L470 Y474 A482 A483 E484 A490 | I426-L486 HydrophobicContact CG1-CD2 4.39Å; I426-L486 HydrophobicContact CG2-CD2 4.14Å; A430-L486 HydrophobicContact CB-CD2 4.24Å; A430-L486 HydrophobicContact CB-CG 4.02Å; L467-L486 HydrophobicContact CD2-CD2 3.82Å; L470-L486 HydrophobicContact CB-CD1 4.02Å; L470-L486 HydrophobicContact CD2-CD1 3.76Å; L470-L486 HydrophobicContact CG-CD1 3.63Å; Y474-L486 HydrophobicContact CD2-CD1 3.52Å; Y474-L486 HydrophobicContact CE2-CD1 3.53Å; A482-L486 WeakPolarHBondContact O-CG 3.41Å; A482-L486 PolarHBondContact O-N 2.99Å; A483-L486 PolarHBondContact O-N 2.94Å; E484-L486 PolarHBondContact O-N 3.44Å; L486-A490 PolarHBondContact O-N 3.3Å |
| 487 | E | 85.7 | Confident | 77.8 | Confident | 66 Ų | 66 | 57.8 Ų | 57.8 | 31% | 0.308 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -72.8 | -38.4 | 177.5 | -74.9 | -166.2 | 149.6 | 0 | 0 | 113.3 | R475 A483 E484 A489 A490 M491 | R475-E487 IonicContact CZ-OE1 3.29Å; R475-E487 IonicContact CZ-OE2 3.98Å; R475-E487 IonicContact NH1-OE1 3.61Å; R475-E487 PolarHBondContact NH1-OE1 2.97Å; R475-E487 IonicContact NH1-OE2 3.06Å; R475-E487 PolarHBondContact NH1-OE2 2.98Å; R475-E487 IonicContact NH2-OE1 3.58Å; R475-E487 PolarHBondContact NH2-OE1 2.89Å; A483-E487 WeakPolarHBondContact O-CG 3.49Å; A483-E487 PolarHBondContact O-N 3.49Å; E484-E487 PolarHBondContact O-N 3.43Å; E487-A489 VanDerWaalsContact C-N 3.28Å; E487-A489 PolarHBondContact O-N 2.96Å; E487-A490 PolarHBondContact O-N 3.11Å; E487-M491 VanDerWaalsContact O-CG 3.31Å; E487-M491 WeakPolarHBondContact O-CG 3.3Å; E487-M491 PolarHBondContact O-N 3.14Å |
| 488 | E | 84.3 | Confident | 75.9 | Confident | 79 Ų | 79 | 59.5 Ų | 59.5 | 37% | 0.369 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.7 | -42.8 | 173.9 | -170.8 | 177.4 | -164.2 | 0 | 0 | 110.5 | W452 E484 A490 M491 R492 | W452-E488 HydrophobicContact CH2-CG 4.45Å; E484-E488 WeakPolarHBondContact O-CB 3.31Å; E484-E488 PolarHBondContact O-N 3.29Å; E488-A490 PolarHBondContact O-N 2.97Å; E488-M491 PolarHBondContact O-N 3.2Å; E488-R492 WeakPolarHBondContact O-CG 3.35Å; E488-R492 PolarHBondContact O-N 3.02Å; E488-R492 IonicContact OE1-CZ 2.87Å; E488-R492 VanDerWaalsContact OE1-CZ 3.23Å; E488-R492 IonicContact OE1-NE 2.89Å; E488-R492 PolarHBondContact OE1-NE 2.9Å; E488-R492 IonicContact OE1-NH2 2.83Å; E488-R492 PolarHBondContact OE1-NH2 3.01Å; E488-R492 IonicContact OE2-NH2 2.77Å |
| 489 | A | 81.6 | Confident | 73.9 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.8 | -44.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I426 W452 C456 L467 T485 E487 M491 R492 S493 | I426-A489 HydrophobicContact CD1-CB 3.27Å; I426-A489 HydrophobicContact CG1-CB 4.38Å; W452-A489 HydrophobicContact CZ3-CB 4.4Å; C456-A489 VanDerWaalsContact SG-CB 3.6Å; L467-A489 HydrophobicContact CD1-CB 4.26Å; T485-A489 PolarHBondContact O-N 3.06Å; E487-A489 VanDerWaalsContact C-N 3.28Å; E487-A489 PolarHBondContact O-N 2.96Å; A489-M491 VanDerWaalsContact C-N 3.26Å; A489-M491 PolarHBondContact O-N 3.38Å; A489-R492 PolarHBondContact O-N 3.5Å; A489-S493 PolarHBondContact O-N 3.1Å; A489-S493 VanDerWaalsContact O-N 3.13Å |
| 490 | A | 81.9 | Confident | 72.1 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.008 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.8 | -30.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T464 L467 K468 L486 E487 E488 | T464-A490 HydrophobicContact CG2-CB 4.16Å; L467-A490 HydrophobicContact CB-CB 3.87Å; L467-A490 HydrophobicContact CD1-CB 4.24Å; K468-A490 HydrophobicContact CG-CB 3.95Å; L486-A490 PolarHBondContact O-N 3.3Å; E487-A490 PolarHBondContact O-N 3.11Å; E488-A490 PolarHBondContact O-N 2.97Å |
| 491 | M | 75.5 | Confident | 70.3 | Confident | 116 Ų | 116 | 60.4 Ų | 60.4 | 57% | 0.571 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -76.4 | -37.7 | 176.4 | -72.3 | -72 | -82.1 | 0 | 0 | 112.2 | E487 E488 A489 R494 K495 | E487-M491 VanDerWaalsContact O-CG 3.31Å; E487-M491 WeakPolarHBondContact O-CG 3.3Å; E487-M491 PolarHBondContact O-N 3.14Å; E488-M491 PolarHBondContact O-N 3.2Å; A489-M491 VanDerWaalsContact C-N 3.26Å; A489-M491 PolarHBondContact O-N 3.38Å; M491-R494 WeakPolarHBondContact O-CB 3.5Å; M491-R494 PolarHBondContact O-N 3.33Å; M491-K495 PolarHBondContact O-N 2.95Å |
| 492 | R | 71 | Confident | 68.5 | Low | 64 Ų | 64 | 63.3 Ų | 63.3 | 24% | 0.242 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.9 | -40.6 | -179.6 | -72.8 | 176.5 | -178.6 | -171.7 | 0.8 | 113.2 | W452 Y453 E488 A489 R494 K495 Q496 | W452-R492 VanDerWaalsContact CH2-CZ 3.43Å; Y453-R492 PolarHBondContact OH-NH1 2.89Å; E488-R492 WeakPolarHBondContact O-CG 3.35Å; E488-R492 PolarHBondContact O-N 3.02Å; E488-R492 IonicContact OE1-CZ 2.87Å; E488-R492 VanDerWaalsContact OE1-CZ 3.23Å; E488-R492 IonicContact OE1-NE 2.89Å; E488-R492 PolarHBondContact OE1-NE 2.9Å; E488-R492 IonicContact OE1-NH2 2.83Å; E488-R492 PolarHBondContact OE1-NH2 3.01Å; E488-R492 IonicContact OE2-NH2 2.77Å; A489-R492 PolarHBondContact O-N 3.5Å; R492-R494 PolarHBondContact O-N 2.75Å; R492-K495 PolarHBondContact O-N 3.02Å; R492-Q496 PolarHBondContact O-N 2.68Å; R492-Q496 VanDerWaalsContact O-N 3.08Å |
| 493 | S | 61.2 | Low | 66.7 | Low | 7 Ų | 7 | 70 Ų | 70 | 5% | 0.049 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -55.4 | -39.9 | 171 | 163.9 | 0 | 0 | 0 | 0 | 111.1 | D459 A489 K495 Q496 G497 | D459-S493 PolarHBondContact OD1-OG 2.63Å; A489-S493 PolarHBondContact O-N 3.1Å; A489-S493 VanDerWaalsContact O-N 3.13Å; S493-K495 VanDerWaalsContact C-N 3.3Å; S493-K495 PolarHBondContact O-N 2.95Å; S493-Q496 PolarHBondContact O-N 2.86Å; S493-G497 PolarHBondContact O-N 3.29Å; S493-G497 VanDerWaalsContact O-N 3.16Å |
| 494 | R | 54.5 | Low | 64.8 | Low | 136 Ų | 136 | 74 Ų | 74 | 51% | 0.513 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.4 | -30.2 | 177.5 | -144.8 | -161.6 | -55.3 | -170.4 | 7.4 | 113.9 | M491 R492 L498 | M491-R494 WeakPolarHBondContact O-CB 3.5Å; M491-R494 PolarHBondContact O-N 3.33Å; R492-R494 PolarHBondContact O-N 2.75Å; R494-L498 WeakPolarHBondContact O-CD1 3.5Å; R494-L498 WeakPolarHBondContact O-CG 3.42Å |
| 495 | K | 54.3 | Low | 63.2 | Low | 138 Ų | 138 | 75.7 Ų | 75.7 | 60% | 0.6 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -79.6 | -40.1 | -179.3 | -168.7 | 179 | 177.2 | -174.6 | 0 | 111.5 | M491 R492 S493 L498 D499 | M491-K495 PolarHBondContact O-N 2.95Å; R492-K495 PolarHBondContact O-N 3.02Å; S493-K495 VanDerWaalsContact C-N 3.3Å; S493-K495 PolarHBondContact O-N 2.95Å; K495-L498 PolarHBondContact O-N 2.97Å; K495-D499 PolarHBondContact O-N 3.34Å |
| 496 | Q | 52 | Low | 61.5 | Low | 74 Ų | 74 | 78.4 Ų | 78.4 | 35% | 0.346 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66 | -39.8 | 175.8 | -76.2 | -180 | 0.6 | 0 | 0 | 112.5 | R492 S493 L498 D499 N500 | R492-Q496 PolarHBondContact O-N 2.68Å; R492-Q496 VanDerWaalsContact O-N 3.08Å; S493-Q496 PolarHBondContact O-N 2.86Å; Q496-L498 VanDerWaalsContact C-N 3.3Å; Q496-L498 PolarHBondContact O-N 3.49Å; Q496-D499 PolarHBondContact O-N 3.29Å; Q496-N500 WeakPolarHBondContact O-CB 3.43Å; Q496-N500 PolarHBondContact O-N 3.5Å |
| 497 | G | 51.8 | Low | 60.2 | Low | 24 Ų | 24 | 80.6 Ų | 80.6 | 25% | 0.247 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.1 | -37 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S493 V501 | S493-G497 PolarHBondContact O-N 3.29Å; S493-G497 VanDerWaalsContact O-N 3.16Å; G497-V501 VanDerWaalsContact O-CG2 3.28Å; G497-V501 WeakPolarHBondContact O-CG2 3.42Å; G497-V501 PolarHBondContact O-N 3.45Å; G497-V501 VanDerWaalsContact O-N 3.11Å |
| 498 | L | 50.2 | Low | 58.7 | Low | 118 Ų | 118 | 83.2 Ų | 83.2 | 62% | 0.618 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -69 | -41.2 | 174.6 | -75.5 | 164.8 | 0 | 0 | 0 | 112.1 | R494 K495 Q496 V501 H502 | R494-L498 WeakPolarHBondContact O-CD1 3.5Å; R494-L498 WeakPolarHBondContact O-CG 3.42Å; K495-L498 PolarHBondContact O-N 2.97Å; Q496-L498 VanDerWaalsContact C-N 3.3Å; Q496-L498 PolarHBondContact O-N 3.49Å; L498-V501 PolarHBondContact O-N 2.98Å; L498-H502 WeakPolarHBondContact O-CB 3.38Å; L498-H502 PolarHBondContact O-N 3.03Å |
| 499 | D | 47.5 | Very low | 57.5 | Low | 79 Ų | 79 | 83.9 Ų | 83.9 | 42% | 0.422 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.9 | -34.9 | 178.3 | -68.9 | -24.4 | 0 | 0 | 0 | 111.6 | K495 Q496 H502 K503 | K495-D499 PolarHBondContact O-N 3.34Å; Q496-D499 PolarHBondContact O-N 3.29Å; D499-H502 PolarHBondContact O-N 3.48Å; D499-K503 WeakPolarHBondContact O-CB 3.28Å; D499-K503 VanDerWaalsContact O-CG 3.24Å; D499-K503 WeakPolarHBondContact O-CG 3.39Å; D499-K503 PolarHBondContact O-N 3.24Å |
| 500 | N | 51.7 | Low | 55.9 | Low | 86 Ų | 86 | 88.2 Ų | 88.2 | 46% | 0.46 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.9 | -42 | 173.9 | -76.8 | -15.8 | 0 | 0 | 0 | 112.1 | Q496 H502 K503 Q504 | Q496-N500 WeakPolarHBondContact O-CB 3.43Å; Q496-N500 PolarHBondContact O-N 3.5Å; N500-H502 VanDerWaalsContact C-N 3.3Å; N500-H502 PolarHBondContact O-N 2.94Å; N500-K503 PolarHBondContact O-N 3.49Å; N500-Q504 VanDerWaalsContact O-CB 3.32Å; N500-Q504 WeakPolarHBondContact O-CB 3.25Å; N500-Q504 PolarHBondContact O-N 2.96Å |
| 501 | V | 50.9 | Low | 54.2 | Low | 74 Ų | 74 | 94.6 Ų | 94.6 | 45% | 0.448 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.1 | -36.8 | 172.7 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | G497 L498 R505 | G497-V501 VanDerWaalsContact O-CG2 3.28Å; G497-V501 WeakPolarHBondContact O-CG2 3.42Å; G497-V501 PolarHBondContact O-N 3.45Å; G497-V501 VanDerWaalsContact O-N 3.11Å; L498-V501 PolarHBondContact O-N 2.98Å; V501-R505 WeakPolarHBondContact O-CB 3.41Å; V501-R505 WeakPolarHBondContact O-CG 3.47Å; V501-R505 PolarHBondContact O-N 2.87Å |
| 502 | H | 48.2 | Very low | 52.9 | Low | 125 Ų | 125 | 93 Ų | 93 | 58% | 0.579 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -68 | -43.3 | 175.6 | -153.5 | 77.1 | 0 | 0 | 0 | 111.4 | L498 D499 N500 R505 V506 | L498-H502 WeakPolarHBondContact O-CB 3.38Å; L498-H502 PolarHBondContact O-N 3.03Å; D499-H502 PolarHBondContact O-N 3.48Å; N500-H502 VanDerWaalsContact C-N 3.3Å; N500-H502 PolarHBondContact O-N 2.94Å; H502-R505 PolarHBondContact O-N 3.48Å; H502-V506 WeakPolarHBondContact O-CB 3.35Å; H502-V506 WeakPolarHBondContact O-CG2 3.39Å; H502-V506 PolarHBondContact O-N 2.93Å |
| 503 | K | 49.8 | Very low | 51.6 | Low | 142 Ų | 142 | 94.6 Ų | 94.6 | 62% | 0.617 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.2 | -39.3 | 174.6 | -77 | 174.6 | -179.2 | -179.3 | 0 | 112.6 | D499 N500 V506 A507 | D499-K503 WeakPolarHBondContact O-CB 3.28Å; D499-K503 VanDerWaalsContact O-CG 3.24Å; D499-K503 WeakPolarHBondContact O-CG 3.39Å; D499-K503 PolarHBondContact O-N 3.24Å; N500-K503 PolarHBondContact O-N 3.49Å; K503-V506 PolarHBondContact O-N 2.94Å; K503-A507 WeakPolarHBondContact O-CB 2.88Å; K503-A507 PolarHBondContact O-N 3.39Å |
| 504 | Q | 48.2 | Very low | 50.9 | Low | 84 Ų | 84 | 100.8 Ų | 100.8 | 39% | 0.393 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.1 | -42.3 | 177.1 | -167.7 | 167.7 | -3.7 | 0 | 0 | 111.2 | N500 V506 A507 E508 | N500-Q504 VanDerWaalsContact O-CB 3.32Å; N500-Q504 WeakPolarHBondContact O-CB 3.25Å; N500-Q504 PolarHBondContact O-N 2.96Å; Q504-V506 VanDerWaalsContact C-N 3.33Å; Q504-V506 PolarHBondContact O-N 3.34Å; Q504-A507 PolarHBondContact O-N 2.89Å; Q504-E508 WeakPolarHBondContact O-CB 3.48Å; Q504-E508 WeakPolarHBondContact O-CG 3.35Å; Q504-E508 PolarHBondContact O-N 2.97Å |
| 505 | R | 53.4 | Low | 50.5 | Low | 167 Ų | 167 | 98 Ų | 98 | 63% | 0.63 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.4 | -37.9 | 170.6 | -77.9 | -177.4 | -179 | -179.7 | 1.4 | 113.1 | V501 H502 V509 | V501-R505 WeakPolarHBondContact O-CB 3.41Å; V501-R505 WeakPolarHBondContact O-CG 3.47Å; V501-R505 PolarHBondContact O-N 2.87Å; H502-R505 PolarHBondContact O-N 3.48Å; R505-V509 WeakPolarHBondContact O-CB 3.32Å; R505-V509 WeakPolarHBondContact O-CG2 3.48Å; R505-V509 PolarHBondContact O-N 3.25Å |
| 506 | V | 52.2 | Low | 49.7 | Very low | 67 Ų | 67 | 97.1 Ų | 97.1 | 41% | 0.406 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.4 | -39.1 | 176.7 | 168.5 | 0 | 0 | 0 | 0 | 110.8 | H502 K503 Q504 V509 L510 | H502-V506 WeakPolarHBondContact O-CB 3.35Å; H502-V506 WeakPolarHBondContact O-CG2 3.39Å; H502-V506 PolarHBondContact O-N 2.93Å; K503-V506 PolarHBondContact O-N 2.94Å; Q504-V506 VanDerWaalsContact C-N 3.33Å; Q504-V506 PolarHBondContact O-N 3.34Å; V506-V509 PolarHBondContact O-N 3.28Å; V506-L510 HydrophobicContact CG1-CD1 3.69Å; V506-L510 HydrophobicContact CG1-CG 4.33Å; V506-L510 WeakPolarHBondContact O-CB 3.34Å; V506-L510 WeakPolarHBondContact O-CG 3.47Å; V506-L510 PolarHBondContact O-N 3.49Å |
| 507 | A | 57.6 | Low | 49.2 | Very low | 45 Ų | 45 | 100.6 Ų | 100.6 | 37% | 0.372 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.3 | -39.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | K503 Q504 L510 N511 | K503-A507 WeakPolarHBondContact O-CB 2.88Å; K503-A507 PolarHBondContact O-N 3.39Å; Q504-A507 PolarHBondContact O-N 2.89Å; A507-L510 PolarHBondContact O-N 3.02Å; A507-N511 WeakPolarHBondContact O-CB 3.42Å; A507-N511 PolarHBondContact O-N 3.24Å |
| 508 | E | 55.8 | Low | 48.9 | Very low | 122 Ų | 122 | 106.1 Ų | 106.1 | 57% | 0.57 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.8 | -39.8 | 173.3 | -75.8 | 168 | -175 | 0 | 0 | 112 | Q504 L510 | Q504-E508 WeakPolarHBondContact O-CB 3.48Å; Q504-E508 WeakPolarHBondContact O-CG 3.35Å; Q504-E508 PolarHBondContact O-N 2.97Å; E508-L510 VanDerWaalsContact C-N 3.35Å |
| 509 | V | 59 | Low | 48.3 | Very low | 93 Ų | 93 | 108.4 Ų | 108.4 | 56% | 0.564 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -72.5 | -27.3 | 176.1 | 171.2 | 0 | 0 | 0 | 0 | 112.7 | R505 V506 | R505-V509 WeakPolarHBondContact O-CB 3.32Å; R505-V509 WeakPolarHBondContact O-CG2 3.48Å; R505-V509 PolarHBondContact O-N 3.25Å; V506-V509 PolarHBondContact O-N 3.28Å |
| 510 | L | 47.9 | Very low | 47.9 | Very low | 90 Ų | 90 | 114.4 Ų | 114.4 | 47% | 0.471 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -86.4 | -23 | 178.7 | -72.5 | 171.5 | 0 | 0 | 0 | 113.3 | V506 A507 E508 D512 | V506-L510 HydrophobicContact CG1-CD1 3.69Å; V506-L510 HydrophobicContact CG1-CG 4.33Å; V506-L510 WeakPolarHBondContact O-CB 3.34Å; V506-L510 WeakPolarHBondContact O-CG 3.47Å; V506-L510 PolarHBondContact O-N 3.49Å; A507-L510 PolarHBondContact O-N 3.02Å; E508-L510 VanDerWaalsContact C-N 3.35Å; L510-D512 VanDerWaalsContact C-N 3.29Å |
| 511 | N | 45.9 | Very low | 47.3 | Very low | 136 Ų | 136 | 113.9 Ų | 113.9 | 73% | 0.727 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -88.1 | 8.5 | 175.3 | -78.9 | -17.2 | 0 | 0 | 0 | 113.5 | A507 P513 | A507-N511 WeakPolarHBondContact O-CB 3.42Å; A507-N511 PolarHBondContact O-N 3.24Å; N511-P513 VanDerWaalsContact O-CD 3.29Å; N511-P513 WeakPolarHBondContact O-CD 3.49Å |
| 512 | D | 46.8 | Very low | 46.6 | Very low | 81 Ų | 81 | 121 Ų | 121 | 43% | 0.433 | 58% | 0.577 | S | S | . | * | trans | -74.4 | 113.1 | 176.3 | -153.6 | -19 | 0 | 0 | 0 | 110 | L510 E514 N515 | L510-D512 VanDerWaalsContact C-N 3.29Å; D512-E514 PolarHBondContact O-N 3.5Å; D512-E514 VanDerWaalsContact O-N 3.11Å; D512-N515 PolarHBondContact O-N 3.04Å | ||
| 513 | P | 44.5 | Very low | 45.9 | Very low | 99 Ų | 99 | 123.3 Ų | 123.3 | 64% | 0.643 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -59.9 | -25.2 | -173.4 | 21 | -31.5 | 0 | 0 | 0 | 113.3 | N511 N515 M516 | N511-P513 VanDerWaalsContact O-CD 3.29Å; N511-P513 WeakPolarHBondContact O-CD 3.49Å; P513-N515 PolarHBondContact O-N 3.37Å; P513-M516 PolarHBondContact O-N 3.35Å |
| 514 | E | 47.6 | Very low | 45.1 | Very low | 137 Ų | 137 | 120.4 Ų | 120.4 | 64% | 0.64 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.7 | -22.6 | 175.9 | -71.1 | -165.3 | 160.6 | 0 | 0 | 113.8 | D512 | D512-E514 PolarHBondContact O-N 3.5Å; D512-E514 VanDerWaalsContact O-N 3.11Å |
| 515 | N | 44.4 | Very low | 44.6 | Very low | 76 Ų | 76 | 123.3 Ų | 123.3 | 41% | 0.406 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -89.5 | -23 | -176.1 | -147.1 | 2.6 | 0 | 0 | 0 | 112.6 | D512 P513 R519 | D512-N515 PolarHBondContact O-N 3.04Å; P513-N515 PolarHBondContact O-N 3.37Å; N515-R519 PolarHBondContact O-N 2.96Å |
| 516 | M | 38.5 | Very low | 43.6 | Very low | 120 Ų | 120 | 123.3 Ų | 123.3 | 59% | 0.591 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -70.1 | -35.2 | 172.9 | -87.2 | -76.4 | -86.3 | 0 | 0 | 112.1 | P513 R519 R520 | P513-M516 PolarHBondContact O-N 3.35Å; M516-R519 PolarHBondContact O-N 3.45Å; M516-R520 PolarHBondContact O-N 3.04Å |
| 517 | E | 41.3 | Very low | 42.5 | Very low | 147 Ų | 147 | 126.3 Ų | 126.3 | 69% | 0.687 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -71.1 | -33.9 | 175.9 | -88.8 | 171.9 | 160.2 | 0 | 0 | 113 | R519 S521 | E517-R519 VanDerWaalsContact C-N 3.34Å; E517-S521 PolarHBondContact O-N 3.5Å; E517-S521 PolarHBondContact O-OG 3.15Å |
| 518 | K | 44.6 | Very low | 41.1 | Very low | 140 Ų | 140 | 132.1 Ų | 132.1 | 61% | 0.609 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -72 | -23.7 | 173.9 | -80.8 | 175.4 | -179.4 | 159.5 | 0 | 113.9 | S521 | K518-S521 WeakPolarHBondContact CA-OG 3.5Å; K518-S521 PolarHBondContact O-OG 3Å |
| 519 | R | 38.4 | Very low | 39.7 | Very low | 167 Ų | 167 | 132 Ų | 132 | 63% | 0.63 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -77.1 | -42.8 | 172.6 | -92.4 | -178.1 | 170.7 | 167.2 | -2.5 | 112.1 | N515 M516 E517 S521 R522 | N515-R519 PolarHBondContact O-N 2.96Å; M516-R519 PolarHBondContact O-N 3.45Å; E517-R519 VanDerWaalsContact C-N 3.34Å; R519-S521 PolarHBondContact O-N 3.42Å; R519-R522 PolarHBondContact O-N 3.31Å |
| 520 | R | 38.8 | Very low | 38.2 | Very low | 205 Ų | 205 | 134 Ų | 134 | 77% | 0.774 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -62.3 | -28.3 | 175.8 | -84.3 | -174.3 | 174.6 | -176.6 | -0.9 | 113.9 | M516 | M516-R520 PolarHBondContact O-N 3.04Å |
| 521 | S | 38.8 | Very low | 37.1 | Very low | 75 Ų | 75 | 137.3 Ų | 137.3 | 52% | 0.524 | 69% | 0.688 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.3 | -3.3 | -179.8 | 37.4 | 0 | 0 | 0 | 0 | 114.3 | E517 K518 R519 | E517-S521 PolarHBondContact O-N 3.5Å; E517-S521 PolarHBondContact O-OG 3.15Å; K518-S521 WeakPolarHBondContact CA-OG 3.5Å; K518-S521 PolarHBondContact O-OG 3Å; R519-S521 PolarHBondContact O-N 3.42Å |
| 522 | R | 37.3 | Very low | 36.1 | Very low | 223 Ų | 223 | 141.4 Ų | 141.4 | 84% | 0.842 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | -9.5 | 177 | -158.9 | 171.2 | 177.6 | 179.6 | -1.1 | 113.8 | R519 | R519-R522 PolarHBondContact O-N 3.31Š|
| 523 | E | 32.9 | Very low | 35.1 | Very low | 173 Ų | 173 | 145.2 Ų | 145.2 | 81% | 0.808 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -94.2 | -1.2 | 179.4 | -124.8 | 139.6 | -156.6 | 0 | 0 | 113.2 | ||
| 524 | S | 33.8 | Very low | 34.2 | Very low | 81 Ų | 81 | 146.8 Ų | 146.8 | 57% | 0.566 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -99.4 | 9.9 | -177.7 | 49 | 0 | 0 | 0 | 0 | 115.2 | ||
| 525 | L | 37.3 | Very low | 33.2 | Very low | 145 Ų | 145 | 143.7 Ų | 143.7 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -136.2 | 80.3 | 175.5 | -67.7 | 174.5 | 0 | 0 | 0 | 110.2 | ||
| 526 | N | 31.5 | Very low | 32.8 | Very low | 167 Ų | 167 | 146.2 Ų | 146.2 | 89% | 0.893 | 75% | 0.749 | S | S | * | * | trans | -179.6 | 82.6 | 148.6 | -88.2 | -22 | 0 | 0 | 0 | 107.7 | ||||
| 527 | V | 29.2 | Very low | 32.2 | Very low | 130 Ų | 130 | 148.8 Ų | 148.8 | 79% | 0.788 | 77% | 0.765 | S | S | * | * | trans | -100.5 | 99.6 | 162.8 | 175.4 | 0 | 0 | 0 | 0 | 106 | V529 | V527-V529 HydrophobicContact CG1-CG2 4.09Š| ||
| 528 | D | 27.7 | Very low | 31.5 | Very low | 168 Ų | 168 | 145 Ų | 145 | 90% | 0.898 | 77% | 0.766 | S | S | * | * | trans | -119.3 | 120.6 | 151.7 | -98.3 | -32.9 | 0 | 0 | 0 | 107.8 | ||||
| 529 | V | 27.8 | Very low | 30.5 | Very low | 118 Ų | 118 | 141.9 Ų | 141.9 | 72% | 0.715 | 77% | 0.774 | S | S | * | * | trans | -75.5 | 118.6 | -172.7 | 170.9 | 0 | 0 | 0 | 0 | 109.2 | V527 | V527-V529 HydrophobicContact CG1-CG2 4.09Š| ||
| 530 | V | 26.2 | Very low | 30 | Very low | 137 Ų | 137 | 143.5 Ų | 143.5 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | trans | -136.5 | 110.3 | 147.7 | -172.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 531 | K | 24.9 | Very low | 29.3 | Very low | 159 Ų | 159 | 142.3 Ų | 142.3 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | trans | -80.7 | 128.4 | 179 | -172.2 | -174.6 | -176.3 | -169.5 | 0 | 108.9 | ||||
| 532 | Y | 26.6 | Very low | 28.6 | Very low | 222 Ų | 222 | 144.8 Ų | 144.8 | 87% | 0.871 | 80% | 0.803 | S | S | * | * | trans | -142.8 | 130.9 | 152.6 | -104.4 | -83.8 | 0 | 0 | 0 | 110.3 | ||||
| 533 | E | 24.8 | Very low | 27.8 | Very low | 160 Ų | 160 | 139 Ų | 139 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | -75.4 | 146.6 | -176.6 | -67.8 | 173.8 | 162.3 | 0 | 0 | 111.3 | ||||
| 534 | S | 26.8 | Very low | 27.3 | Very low | 133 Ų | 133 | 138.9 Ų | 138.9 | 93% | 0.93 | 80% | 0.798 | S | S | * | * | trans | -83.2 | 137.5 | 172.2 | -57.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 535 | G | 25.5 | Very low | 26.7 | Very low | 72 Ų | 72 | 140.5 Ų | 140.5 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | trans | -159.5 | 153.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 536 | P | 35.9 | Very low | 26.2 | Very low | 129 Ų | 129 | 139.6 Ų | 139.6 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | -110.6 | 165.9 | -130 | 38.9 | -32.2 | 0 | 0 | 0 | 115.5 | |||||
| 537 | D | 26.5 | Very low | 25.8 | Very low | 173 Ų | 173 | 140.5 Ų | 140.5 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | trans | 76.2 | 148.8 | 150.9 | -148.8 | 15.4 | 0 | 0 | 0 | 119.6 | ||||
| 538 | G | 26.6 | Very low | 25.5 | Very low | 68 Ų | 68 | 145.4 Ų | 145.4 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | trans | 109.1 | 106.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 539 | G | 24.3 | Very low | 25.5 | Very low | 75 Ų | 75 | 145.5 Ų | 145.5 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | trans | -75.9 | 172.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 540 | E | 26.5 | Very low | 25.4 | Very low | 201 Ų | 201 | 143 Ų | 143 | 94% | 0.939 | 81% | 0.812 | S | S | * | * | trans | 172.5 | 133.1 | 132.2 | -95.7 | 177.2 | 176 | 0 | 0 | 109.9 | ||||
| 541 | E | 24.8 | Very low | 25.5 | Very low | 180 Ų | 180 | 144.9 Ų | 144.9 | 84% | 0.841 | 82% | 0.817 | S | S | * | * | trans | -67.8 | 156.3 | 161.5 | -65.8 | -168.1 | 148.8 | 0 | 0 | 110.2 | ||||
| 542 | V | 22.9 | Very low | 25.5 | Very low | 127 Ų | 127 | 140.3 Ų | 140.3 | 77% | 0.77 | 82% | 0.815 | S | S | * | * | 159 | 131.2 | 120.1 | 165 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 543 | S | 22.5 | Very low | 26.3 | Very low | 100 Ų | 100 | 137.1 Ų | 137.1 | 70% | 0.699 | 82% | 0.819 | S | S | * | * | trans | 54.4 | 120.3 | 148.5 | 84 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 544 | M | 21.4 | Very low | 26.4 | Very low | 172 Ų | 172 | 132.9 Ų | 132.9 | 85% | 0.847 | 82% | 0.818 | S | S | * | * | 19.9 | 131.1 | 117.9 | -81.8 | -173.8 | 170.2 | 0 | 0 | 121.3 | |||||
| 545 | S | 21.5 | Very low | 26.5 | Very low | 115 Ų | 115 | 131.8 Ų | 131.8 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | 176.6 | 104.6 | 115.3 | -72 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 546 | V | 26.6 | Very low | 26.6 | Very low | 126 Ų | 126 | 136.4 Ų | 136.4 | 76% | 0.764 | 82% | 0.817 | S | S | * | * | 58 | 113.8 | 94 | -175.6 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 547 | E | 22.7 | Very low | 26.6 | Very low | 186 Ų | 186 | 139.2 Ų | 139.2 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | -165.3 | 133.8 | 124.2 | -108.2 | 173.8 | -172.9 | 0 | 0 | 112 | |||||
| 548 | W | 24.1 | Very low | 26.9 | Very low | 232 Ų | 232 | 142.7 Ų | 142.7 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | trans | -113.3 | 140.3 | 179.3 | -100.9 | 64.6 | 0 | 0 | 0 | 108.3 | ||||
| 549 | N | 26.6 | Very low | 27.6 | Very low | 171 Ų | 171 | 145.6 Ų | 145.6 | 91% | 0.914 | 83% | 0.826 | S | S | * | * | trans | -147.8 | 128 | 159.3 | -94.2 | -31.2 | 0 | 0 | 0 | 109.4 | ||||
| 550 | G | 25.9 | Very low | 28.1 | Very low | 65 Ų | 65 | 144 Ų | 144 | 67% | 0.67 | 81% | 0.809 | S | S | * | * | trans | 133.5 | 97.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 551 | D | 27.5 | Very low | 29.3 | Very low | 176 Ų | 176 | 139.6 Ų | 139.6 | 94% | 0.941 | 80% | 0.801 | S | S | * | * | trans | -61.4 | 150.7 | -178.1 | -71.3 | -47.8 | 0 | 0 | 0 | 115.6 | ||||
| 552 | G | 26.7 | Very low | 30.3 | Very low | 63 Ų | 63 | 139 Ų | 139 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | trans | 139.8 | 75.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | G554 | G552-G554 PolarHBondContact O-N 2.91Š| ||
| 553 | T | 42.3 | Very low | 31.5 | Very low | 156 Ų | 156 | 136.8 Ų | 136.8 | 96% | 0.957 | 79% | 0.786 | S | S | * | * | trans | 38.9 | 78 | 150.7 | 58.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 554 | G | 27.7 | Very low | 32.9 | Very low | 70 Ų | 70 | 140.5 Ų | 140.5 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | -145.2 | 65.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G552 L556 | G552-G554 PolarHBondContact O-N 2.91Å; G554-L556 PolarHBondContact O-N 3.38Å | ||
| 555 | S | 27.9 | Very low | 33.9 | Very low | 111 Ų | 111 | 137.1 Ų | 137.1 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -68.2 | 94.7 | 171.3 | 173.9 | 0 | 0 | 0 | 0 | 110.3 | K557 | S555-K557 PolarHBondContact O-N 3.37Å; S555-K557 VanDerWaalsContact O-N 3.11Å | ||
| 556 | L | 28.2 | Very low | 35.4 | Very low | 169 Ų | 169 | 140.9 Ų | 140.9 | 89% | 0.885 | 77% | 0.771 | S | S | * | * | trans | -62.2 | 101.6 | 169.7 | -159.3 | 75.5 | 0 | 0 | 0 | 110.2 | G554 R558 | G554-L556 PolarHBondContact O-N 3.38Å; L556-R558 PolarHBondContact O-N 3.33Å | ||
| 557 | K | 34.9 | Very low | 36.3 | Very low | 187 Ų | 187 | 136.8 Ų | 136.8 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | trans | -80.6 | 115.2 | 173.1 | -74.9 | -176.6 | 178.4 | 174.2 | 0 | 110 | S555 S559 | S555-K557 PolarHBondContact O-N 3.37Å; S555-K557 VanDerWaalsContact O-N 3.11Å; K557-S559 PolarHBondContact O-N 3.5Å | ||
| 558 | R | 33.7 | Very low | 37.6 | Very low | 247 Ų | 247 | 131.3 Ų | 131.3 | 93% | 0.932 | 73% | 0.732 | S | S | * | * | trans | -57.7 | 125.7 | 162 | -75.1 | -175.5 | 175.9 | -137.4 | 0.6 | 109.7 | L556 G560 | L556-R558 PolarHBondContact O-N 3.33Å; R558-G560 PolarHBondContact O-N 3.24Å | ||
| 559 | S | 40.8 | Very low | 38.9 | Very low | 129 Ų | 129 | 125.1 Ų | 125.1 | 90% | 0.902 | 72% | 0.715 | S | S | * | * | trans | -71.8 | 100 | 179.1 | 40.7 | 0 | 0 | 0 | 0 | 111.1 | K557 | K557-S559 PolarHBondContact O-N 3.5Š| ||
| 560 | G | 35.7 | Very low | 40 | Very low | 40 Ų | 40 | 126 Ų | 126 | 41% | 0.412 | 71% | 0.706 | S | S | . | * | trans | -114.1 | 116.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | R558 F562 S563 | R558-G560 PolarHBondContact O-N 3.24Å; G560-F562 PolarHBondContact O-N 3.46Å; G560-S563 PolarHBondContact O-N 2.86Å; G560-S563 VanDerWaalsContact O-N 3.17Å; G560-S563 PolarHBondContact O-OG 2.87Å | ||
| 561 | S | 51.5 | Low | 41 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 77% | 0.769 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.9 | -18.2 | -178.2 | -175 | 0 | 0 | 0 | 0 | 115.4 | ||
| 562 | F | 44.5 | Very low | 41.8 | Very low | 166 Ų | 166 | 125.7 Ų | 125.7 | 73% | 0.728 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -81.4 | -18 | -178.8 | -79.8 | -82.8 | 0 | 0 | 0 | 116 | G560 R566 | G560-F562 PolarHBondContact O-N 3.46Å; F562-R566 PolarHBondContact O-N 2.9Å |
| 563 | S | 48.3 | Very low | 42.6 | Very low | 82 Ų | 82 | 125.5 Ų | 125.5 | 57% | 0.573 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -75 | -32.6 | -178.7 | 51.2 | 0 | 0 | 0 | 0 | 112.9 | G560 A567 | G560-S563 PolarHBondContact O-N 2.86Å; G560-S563 VanDerWaalsContact O-N 3.17Å; G560-S563 PolarHBondContact O-OG 2.87Å; S563-A567 WeakPolarHBondContact O-CB 3.27Å; S563-A567 PolarHBondContact O-N 3.01Å; S563-A567 VanDerWaalsContact O-N 3.14Å |
| 564 | K | 52.3 | Low | 42.7 | Very low | 177 Ų | 177 | 123.4 Ų | 123.4 | 77% | 0.77 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -68.6 | -34.9 | 173.4 | -79.6 | 177.1 | 178.1 | 167.2 | 0 | 112.5 | S568 | K564-S568 PolarHBondContact O-N 3.38Å; K564-S568 VanDerWaalsContact O-N 3.08Å |
| 565 | L | 43 | Very low | 43.8 | Very low | 102 Ų | 102 | 127.7 Ų | 127.7 | 53% | 0.534 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -70.6 | -43.9 | 177.2 | -166 | 74.1 | 0 | 0 | 0 | 111.5 | A567 S568 I569 | L565-A567 VanDerWaalsContact C-N 3.3Å; L565-A567 PolarHBondContact O-N 3.21Å; L565-S568 PolarHBondContact O-N 3.21Å; L565-S568 VanDerWaalsContact O-N 3.11Å; L565-I569 HydrophobicContact CG-CD1 4.23Å; L565-I569 WeakPolarHBondContact O-CG1 3.09Å; L565-I569 PolarHBondContact O-N 3.16Å |
| 566 | R | 51.5 | Low | 44.6 | Very low | 194 Ų | 194 | 127.6 Ų | 127.6 | 73% | 0.732 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -65 | -33.8 | 177.9 | -157 | 179.8 | -76 | -154.2 | -0.6 | 112.1 | F562 R570 | F562-R566 PolarHBondContact O-N 2.9Å; R566-R570 PolarHBondContact O-N 2.95Å; R566-R570 VanDerWaalsContact O-N 3.11Å |
| 567 | A | 46.2 | Very low | 45.6 | Very low | 39 Ų | 39 | 123.5 Ų | 123.5 | 32% | 0.322 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -74 | -25.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S563 L565 R571 | S563-A567 WeakPolarHBondContact O-CB 3.27Å; S563-A567 PolarHBondContact O-N 3.01Å; S563-A567 VanDerWaalsContact O-N 3.14Å; L565-A567 VanDerWaalsContact C-N 3.3Å; L565-A567 PolarHBondContact O-N 3.21Å; A567-R571 WeakPolarHBondContact O-CG 3.48Å; A567-R571 PolarHBondContact O-N 3.43Å; A567-R571 PolarHBondContact O-NE 2.92Å |
| 568 | S | 50.1 | Low | 46.2 | Very low | 71 Ų | 71 | 123.5 Ų | 123.5 | 50% | 0.497 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -76.3 | -39.5 | 174.5 | -157.8 | 0 | 0 | 0 | 0 | 111.5 | K564 L565 R571 S572 | K564-S568 PolarHBondContact O-N 3.38Å; K564-S568 VanDerWaalsContact O-N 3.08Å; L565-S568 PolarHBondContact O-N 3.21Å; L565-S568 VanDerWaalsContact O-N 3.11Å; S568-R571 PolarHBondContact O-N 3.05Å; S568-S572 PolarHBondContact O-N 3.45Å; S568-S572 PolarHBondContact O-OG 3.42Å |
| 569 | I | 51.1 | Low | 47.1 | Very low | 102 Ų | 102 | 120.4 Ų | 120.4 | 52% | 0.523 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -70.5 | -38.7 | 177.7 | -65.6 | 170.3 | 0 | 0 | 0 | 111.8 | L565 R571 S572 S573 | L565-I569 HydrophobicContact CG-CD1 4.23Å; L565-I569 WeakPolarHBondContact O-CG1 3.09Å; L565-I569 PolarHBondContact O-N 3.16Å; I569-R571 VanDerWaalsContact C-N 3.31Å; I569-R571 PolarHBondContact O-N 3.05Å; I569-S572 PolarHBondContact O-N 3.42Å; I569-S572 PolarHBondContact O-OG 3.37Å; I569-S572 VanDerWaalsContact O-OG 3.05Å; I569-S573 WeakPolarHBondContact O-CB 3.38Å; I569-S573 PolarHBondContact O-N 3.47Å; I569-S573 PolarHBondContact O-OG 3.26Å |
| 570 | R | 49.2 | Very low | 47.3 | Very low | 189 Ų | 189 | 120.7 Ų | 120.7 | 71% | 0.713 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -62.4 | -37.7 | 173.7 | -115.7 | 179.8 | 179 | 144.3 | -0.1 | 112.3 | R566 S573 E574 | R566-R570 PolarHBondContact O-N 2.95Å; R566-R570 VanDerWaalsContact O-N 3.11Å; R570-S573 PolarHBondContact O-OG 3.09Å; R570-E574 WeakPolarHBondContact O-CB 3.47Å; R570-E574 PolarHBondContact O-N 3.44Å; R570-E574 VanDerWaalsContact O-N 3.1Å |
| 571 | R | 47.9 | Very low | 47.5 | Very low | 163 Ų | 163 | 127.7 Ų | 127.7 | 62% | 0.615 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -74.3 | -32.4 | 178.9 | -79.1 | -177.3 | -77.9 | -147.3 | 3.1 | 113.4 | A567 S568 I569 K575 | A567-R571 WeakPolarHBondContact O-CG 3.48Å; A567-R571 PolarHBondContact O-N 3.43Å; A567-R571 PolarHBondContact O-NE 2.92Å; S568-R571 PolarHBondContact O-N 3.05Å; I569-R571 VanDerWaalsContact C-N 3.31Å; I569-R571 PolarHBondContact O-N 3.05Å; R571-K575 PolarHBondContact O-N 3.32Å |
| 572 | S | 45 | Very low | 46.9 | Very low | 73 Ų | 73 | 125.5 Ų | 125.5 | 51% | 0.51 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -74.9 | -36.7 | 174.1 | 62.8 | 0 | 0 | 0 | 0 | 112.1 | S568 I569 K575 L576 | S568-S572 PolarHBondContact O-N 3.45Å; S568-S572 PolarHBondContact O-OG 3.42Å; I569-S572 PolarHBondContact O-N 3.42Å; I569-S572 PolarHBondContact O-OG 3.37Å; I569-S572 VanDerWaalsContact O-OG 3.05Å; S572-K575 PolarHBondContact O-N 3.13Å; S572-L576 PolarHBondContact O-N 3.41Å; S572-L576 VanDerWaalsContact O-N 3.16Å |
| 573 | S | 41.9 | Very low | 46.4 | Very low | 58 Ų | 58 | 120.8 Ų | 120.8 | 41% | 0.406 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -68.2 | -35.1 | 175.3 | 69.7 | 0 | 0 | 0 | 0 | 112.6 | I569 R570 L576 V577 | I569-S573 WeakPolarHBondContact O-CB 3.38Å; I569-S573 PolarHBondContact O-N 3.47Å; I569-S573 PolarHBondContact O-OG 3.26Å; R570-S573 PolarHBondContact O-OG 3.09Å; S573-L576 PolarHBondContact O-N 3.25Å; S573-V577 WeakPolarHBondContact O-CB 3.47Å; S573-V577 VanDerWaalsContact O-CG2 3.24Å; S573-V577 WeakPolarHBondContact O-CG2 3.37Å; S573-V577 PolarHBondContact O-N 3.44Å |
| 574 | E | 44.3 | Very low | 45.4 | Very low | 112 Ų | 112 | 122.4 Ų | 122.4 | 52% | 0.523 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -71.3 | -31.3 | 179 | -151.2 | 173 | -151.7 | 0 | 0 | 112.9 | R570 R578 | R570-E574 WeakPolarHBondContact O-CB 3.47Å; R570-E574 PolarHBondContact O-N 3.44Å; R570-E574 VanDerWaalsContact O-N 3.1Å; E574-R578 PolarHBondContact O-N 2.95Å; E574-R578 VanDerWaalsContact O-N 3.07Å |
| 575 | K | 51.6 | Low | 44.3 | Very low | 161 Ų | 161 | 119.3 Ų | 119.3 | 70% | 0.7 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -72.4 | -32.2 | 170.4 | -93.3 | -178.3 | 175.5 | 178.4 | 0 | 112.8 | R571 S572 K579 | R571-K575 PolarHBondContact O-N 3.32Å; S572-K575 PolarHBondContact O-N 3.13Å; K575-K579 PolarHBondContact O-N 3.31Å |
| 576 | L | 44.8 | Very low | 43.6 | Very low | 108 Ų | 108 | 124.8 Ų | 124.8 | 57% | 0.565 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -74.1 | -40.2 | 175.4 | -154.9 | 87.3 | 0 | 0 | 0 | 111.4 | S572 S573 K579 L580 | S572-L576 PolarHBondContact O-N 3.41Å; S572-L576 VanDerWaalsContact O-N 3.16Å; S573-L576 PolarHBondContact O-N 3.25Å; L576-K579 CarbonylContact O-C 3.57Å; L576-K579 WeakPolarHBondContact O-CA 3.29Å; L576-K579 WeakPolarHBondContact O-CB 3.31Å; L576-K579 PolarHBondContact O-N 3.19Å; L576-L580 HydrophobicContact CD2-CD1 4.18Å; L576-L580 HydrophobicContact CG-CD1 4.25Å; L576-L580 PolarHBondContact O-N 2.9Å |
| 577 | V | 48.9 | Very low | 42.4 | Very low | 84 Ų | 84 | 123.4 Ų | 123.4 | 51% | 0.509 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -66.9 | -35.2 | 175.7 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | S573 K579 L580 K581 | S573-V577 WeakPolarHBondContact O-CB 3.47Å; S573-V577 VanDerWaalsContact O-CG2 3.24Å; S573-V577 WeakPolarHBondContact O-CG2 3.37Å; S573-V577 PolarHBondContact O-N 3.44Å; V577-K579 VanDerWaalsContact C-N 3.29Å; V577-K579 PolarHBondContact O-N 2.99Å; V577-L580 PolarHBondContact O-N 3.37Å; V577-K581 VanDerWaalsContact O-CB 3.29Å; V577-K581 WeakPolarHBondContact O-CB 3.46Å; V577-K581 PolarHBondContact O-N 2.93Å |
| 578 | R | 48.3 | Very low | 41.5 | Very low | 186 Ų | 186 | 127.1 Ų | 127.1 | 70% | 0.702 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -65.3 | -28.4 | 168.8 | -82.7 | -173.6 | 176.4 | 103.5 | -4.4 | 113.6 | E574 | E574-R578 PolarHBondContact O-N 2.95Å; E574-R578 VanDerWaalsContact O-N 3.07Å |
| 579 | K | 52.8 | Low | 40.5 | Very low | 183 Ų | 183 | 132.5 Ų | 132.5 | 80% | 0.796 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -81 | -22.9 | 174.3 | -93.6 | -178.8 | 171 | -176.3 | 0 | 113.9 | K575 L576 V577 | K575-K579 PolarHBondContact O-N 3.31Å; L576-K579 CarbonylContact O-C 3.57Å; L576-K579 WeakPolarHBondContact O-CA 3.29Å; L576-K579 WeakPolarHBondContact O-CB 3.31Å; L576-K579 PolarHBondContact O-N 3.19Å; V577-K579 VanDerWaalsContact C-N 3.29Å; V577-K579 PolarHBondContact O-N 2.99Å |
| 580 | L | 43.3 | Very low | 40.3 | Very low | 134 Ų | 134 | 132.8 Ų | 132.8 | 70% | 0.702 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -96.1 | -20.2 | 179.8 | -76.9 | 162.6 | 0 | 0 | 0 | 113.7 | L576 V577 G582 | L576-L580 HydrophobicContact CD2-CD1 4.18Å; L576-L580 HydrophobicContact CG-CD1 4.25Å; L576-L580 PolarHBondContact O-N 2.9Å; V577-L580 PolarHBondContact O-N 3.37Å; L580-G582 VanDerWaalsContact C-N 3.32Å; L580-G582 PolarHBondContact O-N 3.28Å |
| 581 | K | 41.4 | Very low | 39.4 | Very low | 188 Ų | 188 | 133 Ų | 133 | 82% | 0.817 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -89.8 | 12.9 | -178.5 | -148.4 | 174.8 | -177.1 | -176.3 | 0 | 114.5 | V577 | V577-K581 VanDerWaalsContact O-CB 3.29Å; V577-K581 WeakPolarHBondContact O-CB 3.46Å; V577-K581 PolarHBondContact O-N 2.93Å |
| 582 | G | 37.7 | Very low | 38.9 | Very low | 64 Ų | 64 | 132.9 Ų | 132.9 | 66% | 0.66 | 71% | 0.707 | S | S | * | * | trans | -119.6 | 63.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L580 | L580-G582 VanDerWaalsContact C-N 3.32Å; L580-G582 PolarHBondContact O-N 3.28Å | ||
| 583 | G | 34.2 | Very low | 38.7 | Very low | 66 Ų | 66 | 135.4 Ų | 135.4 | 68% | 0.68 | 72% | 0.721 | S | S | * | * | trans | -73 | 171.7 | 154 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 584 | S | 28.7 | Very low | 37.9 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 81% | 0.811 | 73% | 0.734 | S | S | * | * | cis | -168.7 | 147.8 | 6.5 | -89.6 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 585 | S | 28 | Very low | 37.2 | Very low | 112 Ų | 112 | 138 Ų | 138 | 78% | 0.783 | 75% | 0.746 | S | S | * | * | 148.7 | 150.4 | 100.9 | 47.1 | 0 | 0 | 0 | 0 | 105.8 | |||||
| 586 | R | 28.1 | Very low | 36.3 | Very low | 217 Ų | 217 | 137.4 Ų | 137.4 | 82% | 0.819 | 74% | 0.744 | S | S | * | * | cis | -166.8 | 144.9 | 0.3 | -119.9 | 175.7 | 170.2 | 166.5 | -4.3 | 106 | ||||
| 587 | E | 26.6 | Very low | 35.6 | Very low | 165 Ų | 165 | 142.8 Ų | 142.8 | 77% | 0.771 | 76% | 0.757 | S | S | * | * | trans | 58.4 | 139.4 | 143.1 | -71.2 | 173.1 | 161.1 | 0 | 0 | 124.5 | ||||
| 588 | S | 27.1 | Very low | 34.7 | Very low | 118 Ų | 118 | 143.7 Ų | 143.7 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | 95.1 | 103.9 | 144 | 70.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 589 | E | 30.4 | Very low | 33.8 | Very low | 183 Ų | 183 | 140.1 Ų | 140.1 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | trans | -70.2 | 162.9 | 135.5 | -85.4 | -169 | 155.2 | 0 | 0 | 109 | ||||
| 590 | P | 47 | Very low | 32.7 | Very low | 108 Ų | 108 | 136.7 Ų | 136.7 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | cis | -142.7 | 173.9 | 23.6 | 36.5 | -15.3 | 0 | 0 | 0 | 116.1 | ||||
| 591 | K | 29.5 | Very low | 32.2 | Very low | 193 Ų | 193 | 137.4 Ų | 137.4 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | 158.6 | 125.8 | 129.8 | -89.1 | 170.7 | 179.4 | 176.7 | 0 | 112.5 | |||||
| 592 | N | 37.7 | Very low | 31.5 | Very low | 161 Ų | 161 | 136.4 Ų | 136.4 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | trans | -61.4 | 149.8 | 156.6 | -96.7 | -20.4 | 0 | 0 | 0 | 110.7 | ||||
| 593 | P | 40 | Very low | 31.3 | Very low | 126 Ų | 126 | 138.7 Ų | 138.7 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | -145.3 | 148.8 | 104.2 | 35.2 | -18.9 | 0 | 0 | 0 | 115.7 | |||||
| 594 | G | 25.9 | Very low | 31.2 | Very low | 65 Ų | 65 | 142.9 Ų | 142.9 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | trans | 94.1 | 97.1 | 130.2 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 595 | M | 30 | Very low | 31.2 | Very low | 159 Ų | 159 | 144.6 Ų | 144.6 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | 45 | 121.2 | 123 | -81.3 | 157.1 | 73.6 | 0 | 0 | 117.3 | |||||
| 596 | K | 32.8 | Very low | 31.4 | Very low | 150 Ų | 150 | 145.9 Ų | 145.9 | 65% | 0.652 | 79% | 0.792 | S | S | * | * | 164.3 | 140.5 | 60.9 | -110.3 | 166.4 | 178.4 | 173.3 | 0 | 108.8 | |||||
| 597 | R | 29.9 | Very low | 31.5 | Very low | 221 Ų | 221 | 139.1 Ų | 139.1 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | trans | 43 | 129.4 | 143.3 | -60.9 | -176.6 | -158.1 | 170 | 3.9 | 120.4 | ||||
| 598 | A | 28.5 | Very low | 31.5 | Very low | 103 Ų | 103 | 135.1 Ų | 135.1 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | -162.9 | 144.7 | 98.2 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 599 | S | 30 | Very low | 31.8 | Very low | 111 Ų | 111 | 139.8 Ų | 139.8 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -89.8 | 154.9 | -178 | -37.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 600 | S | 30.3 | Very low | 31.9 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | 160.6 | 146.1 | 144.5 | 41.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 601 | L | 31.7 | Very low | 31.3 | Very low | 148 Ų | 148 | 134.9 Ų | 134.9 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | cis | -162.3 | 137.8 | 7 | -113.1 | 157.5 | 0 | 0 | 0 | 105.8 | V603 | L601-V603 HydrophobicContact CD2-CG2 4.03Š| ||
| 602 | N | 28.2 | Very low | 31.2 | Very low | 167 Ų | 167 | 135 Ų | 135 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | trans | -116 | 132.9 | 165 | -111.9 | -4.4 | 0 | 0 | 0 | 107.2 | ||||
| 603 | V | 33.4 | Very low | 30.9 | Very low | 112 Ų | 112 | 134 Ų | 134 | 68% | 0.679 | 80% | 0.797 | S | S | * | * | trans | -137.5 | 147.4 | 174.4 | -172 | 0 | 0 | 0 | 0 | 109.2 | L601 | L601-V603 HydrophobicContact CD2-CG2 4.03Š| ||
| 604 | L | 31.1 | Very low | 30.3 | Very low | 155 Ų | 155 | 139.3 Ų | 139.3 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | trans | 93.1 | 126 | 171.6 | -51.7 | 175.4 | 0 | 0 | 0 | 113.9 | ||||
| 605 | N | 28.8 | Very low | 30.4 | Very low | 151 Ų | 151 | 144.2 Ų | 144.2 | 81% | 0.807 | 80% | 0.804 | S | S | * | * | cis | -157.2 | 153.9 | 16.8 | -154.2 | 3.8 | 0 | 0 | 0 | 112.1 | ||||
| 606 | V | 31.3 | Very low | 30.3 | Very low | 139 Ų | 139 | 145 Ų | 145 | 84% | 0.842 | 81% | 0.806 | S | S | * | * | trans | -101.6 | 151.9 | -179 | 164.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 607 | G | 30.3 | Very low | 30 | Very low | 76 Ų | 76 | 141.1 Ų | 141.1 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | trans | 150.8 | 111.9 | 140.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 608 | G | 27.1 | Very low | 30 | Very low | 81 Ų | 81 | 137 Ų | 137 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | 152.1 | 80.6 | 155.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 609 | K | 33.7 | Very low | 30 | Very low | 215 Ų | 215 | 137.6 Ų | 137.6 | 94% | 0.935 | 81% | 0.805 | S | S | * | * | trans | -76.5 | 163.4 | 156.5 | -76 | -179.8 | 171.6 | 179.2 | 0 | 108.9 | ||||
| 610 | A | 32.8 | Very low | 29.9 | Very low | 91 Ų | 91 | 135.6 Ų | 135.6 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | cis | -164.8 | 141.1 | 40.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 611 | A | 33.6 | Very low | 29.9 | Very low | 97 Ų | 97 | 142 Ų | 142 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | 94.3 | 123.2 | 78.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 612 | E | 28.4 | Very low | 29.8 | Very low | 197 Ų | 197 | 139.2 Ų | 139.2 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | -170.5 | 156.7 | 134 | -111.4 | 179.9 | -170.5 | 0 | 0 | 112.9 | ||||
| 613 | D | 31.2 | Very low | 29.8 | Very low | 140 Ų | 140 | 137 Ų | 137 | 75% | 0.749 | 81% | 0.805 | S | S | * | * | trans | -76.8 | 156.2 | -155.6 | -71.8 | -52.6 | 0 | 0 | 0 | 118.8 | ||||
| 614 | R | 27.1 | Very low | 29.7 | Very low | 237 Ų | 237 | 141.3 Ų | 141.3 | 89% | 0.894 | 82% | 0.815 | S | S | * | * | 171.9 | 119.1 | 109.1 | -96.7 | -178.8 | -117.3 | -141.5 | -2.7 | 115.7 | |||||
| 615 | F | 27.4 | Very low | 29.5 | Very low | 168 Ų | 168 | 140.1 Ų | 140.1 | 74% | 0.737 | 82% | 0.818 | S | S | * | * | 52 | 119.8 | 122.9 | -96.1 | -113.5 | 0 | 0 | 0 | 123.8 | |||||
| 616 | Q | 29.1 | Very low | 29.5 | Very low | 176 Ų | 176 | 136.2 Ų | 136.2 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | 79.9 | 132.6 | 128.6 | -84.7 | -178.4 | -7.7 | 0 | 0 | 124.1 | |||||
| 617 | G | 26.1 | Very low | 29.5 | Very low | 67 Ų | 67 | 138.9 Ų | 138.9 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | trans | 113.2 | 83 | 135.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 618 | V | 29.7 | Very low | 29.5 | Very low | 134 Ų | 134 | 146 Ų | 146 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | 77.2 | 108.4 | 83.4 | 180 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 619 | S | 28.3 | Very low | 29.6 | Very low | 116 Ų | 116 | 149.7 Ų | 149.7 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | trans | 65.1 | 140.6 | 140.3 | 80.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 620 | G | 28.7 | Very low | 29.4 | Very low | 70 Ų | 70 | 149.2 Ų | 149.2 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | trans | 154.4 | 84.4 | 144 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 621 | R | 28.9 | Very low | 29.5 | Very low | 246 Ų | 246 | 152.8 Ų | 152.8 | 93% | 0.928 | 82% | 0.815 | S | S | * | * | trans | 57.4 | 130.2 | 136.8 | -72.1 | -177.2 | 177.1 | -161.4 | -1 | 123.1 | ||||
| 622 | A | 30.3 | Very low | 29.4 | Very low | 88 Ų | 88 | 156.9 Ų | 156.9 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | trans | 56 | 132.1 | 130.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 623 | S | 29.1 | Very low | 29.5 | Very low | 120 Ų | 120 | 158.6 Ų | 158.6 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | -175.3 | 157.2 | 75.4 | -59.8 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 624 | F | 29.6 | Very low | 29.6 | Very low | 203 Ų | 203 | 159.5 Ų | 159.5 | 89% | 0.89 | 82% | 0.82 | S | S | * | * | trans | -80.8 | 170.1 | -177.8 | -130.8 | -107.5 | 0 | 0 | 0 | 113.9 | ||||
| 625 | C | 27.8 | Very low | 29.9 | Very low | 130 Ų | 130 | 152 Ų | 152 | 88% | 0.878 | 82% | 0.817 | S | S | * | * | trans | 75.6 | 144.1 | 162.5 | -109.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 626 | G | 28.1 | Very low | 30.7 | Very low | 70 Ų | 70 | 155.1 Ų | 155.1 | 72% | 0.722 | 82% | 0.823 | S | S | * | * | cis | 169.7 | 145.8 | 10.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 627 | K | 33 | Very low | 31.1 | Very low | 194 Ų | 194 | 157.1 Ų | 157.1 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | trans | -73.4 | 161.5 | -175.7 | -79.7 | 174.3 | 170.8 | 172.6 | 0 | 113.6 | ||||
| 628 | R | 29.9 | Very low | 31.8 | Very low | 226 Ų | 226 | 161.8 Ų | 161.8 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | trans | 82.2 | 122.6 | 151.3 | -73.9 | 168.8 | -165.5 | -142.7 | 4.4 | 117.7 | ||||
| 629 | Q | 28.9 | Very low | 32.3 | Very low | 159 Ų | 159 | 170.6 Ų | 170.6 | 74% | 0.743 | 85% | 0.845 | S | S | * | * | -175.6 | 129.6 | 101.9 | -101.2 | 168.5 | 6.3 | 0 | 0 | 112 | |||||
| 630 | Q | 29.7 | Very low | 32.5 | Very low | 205 Ų | 205 | 173.3 Ų | 173.3 | 96% | 0.958 | 85% | 0.847 | S | S | * | * | trans | -142.1 | 115.4 | 136.2 | -113.9 | 178.9 | 5.2 | 0 | 0 | 106.7 | ||||
| 631 | Q | 33.8 | Very low | 32.7 | Very low | 166 Ų | 166 | 178.7 Ų | 178.7 | 78% | 0.776 | 85% | 0.854 | S | S | * | * | trans | -96 | 148.5 | -179.3 | -81.4 | -175.5 | -7 | 0 | 0 | 110.8 | ||||
| 632 | Q | 32.3 | Very low | 32.9 | Very low | 182 Ų | 182 | 175 Ų | 175 | 85% | 0.85 | 85% | 0.849 | S | S | * | * | trans | -76.5 | 132.2 | 163.2 | -86.6 | 171.3 | -19.1 | 0 | 0 | 111.4 | ||||
| 633 | W | 30.7 | Very low | 33.1 | Very low | 234 Ų | 234 | 180.1 Ų | 180.1 | 89% | 0.886 | 86% | 0.857 | S | S | * | * | trans | 49.2 | 100.8 | 132.2 | -78.8 | 72.9 | 0 | 0 | 0 | 121.3 | ||||
| 634 | L | 34 | Very low | 33.3 | Very low | 159 Ų | 159 | 183.9 Ų | 183.9 | 83% | 0.832 | 86% | 0.858 | S | S | * | * | trans | 11.5 | 119.2 | 133.2 | -75.9 | 156.7 | 0 | 0 | 0 | 120.2 | ||||
| 635 | G | 31.7 | Very low | 33.6 | Very low | 80 Ų | 80 | 182.6 Ų | 182.6 | 83% | 0.825 | 86% | 0.856 | S | S | * | * | trans | -138.2 | 116.7 | 146.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 636 | R | 44.9 | Very low | 34 | Very low | 232 Ų | 232 | 186.4 Ų | 186.4 | 88% | 0.875 | 85% | 0.854 | S | S | * | * | trans | -70.8 | 149.4 | -176 | -67 | 174.7 | 175.4 | -157.3 | -1.9 | 113.7 | ||||
| 637 | R | 37.9 | Very low | 34.4 | Very low | 218 Ų | 218 | 195.3 Ų | 195.3 | 82% | 0.823 | 86% | 0.864 | S | S | * | * | 172.1 | 134.8 | 119.8 | -99.6 | 179.4 | -174.5 | -154.4 | 0.9 | 113.7 | |||||
| 638 | H | 39.9 | Very low | 34.6 | Very low | 166 Ų | 166 | 195.4 Ų | 195.4 | 77% | 0.769 | 87% | 0.866 | S | S | * | * | trans | 50.7 | 129.4 | 150.9 | -61.9 | -41.4 | 0 | 0 | 0 | 118.7 | ||||
| 639 | R | 41 | Very low | 35 | Very low | 318 Ų | 318 | 192.6 Ų | 192.6 | 100% | 1.2 | 87% | 0.867 | S | S | * | * | cis | -143.6 | 0 | 27.6 | -87.2 | 179.9 | -173.5 | -158 | 0.3 | 110 |
Retrieved 639 of 639 residues in 971.5 ms
(Link to these results)