| 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 | 40.9 | Very low | 46.7 | Very low | 235 Ų | 235 | 169.5 Ų | 169.5 | 100% | 1.158 | 81% | 0.812 | S | S | * | * | 0 | 88.2 | 0 | -71.3 | -74.8 | -163.7 | 0 | 0 | 106.9 | |||||
| 2 | D | 37.2 | Very low | 46.7 | Very low | 154 Ų | 154 | 164.8 Ų | 164.8 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | trans | -60.7 | 127.2 | -164.4 | -59.8 | -95.3 | 0 | 0 | 0 | 114 | ||||
| 3 | R | 46.5 | Very low | 47.1 | Very low | 247 Ų | 247 | 164.1 Ų | 164.1 | 93% | 0.932 | 79% | 0.794 | S | S | * | * | trans | -113.1 | 85.1 | 163.1 | -74.3 | -168.4 | -176.9 | -122.4 | 2.6 | 109 | H5 | R3-H5 PolarHBondContact O-N 3.01Š| ||
| 4 | L | 46 | Very low | 47.4 | Very low | 161 Ų | 161 | 158.1 Ų | 158.1 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | -54.3 | 95.6 | 156.7 | -85.8 | 147.8 | 0 | 0 | 0 | 109 | ||||
| 5 | H | 48.1 | Very low | 47.8 | Very low | 166 Ų | 166 | 155.1 Ų | 155.1 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | -111.4 | 78.3 | 162.7 | -157.5 | -132.9 | 0 | 0 | 0 | 108.9 | R3 D7 | R3-H5 PolarHBondContact O-N 3.01Å; H5-D7 PolarHBondContact O-N 3.17Å | ||
| 6 | R | 49.1 | Very low | 47.9 | Very low | 229 Ų | 229 | 152.4 Ų | 152.4 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | trans | -66 | 90.3 | 170.5 | 177.7 | -177.5 | 75.4 | -171.5 | 5.8 | 108.5 | ||||
| 7 | D | 47 | Very low | 47.8 | Very low | 118 Ų | 118 | 154.9 Ų | 154.9 | 63% | 0.631 | 77% | 0.773 | S | S | * | * | trans | -152.7 | 15.7 | 175.1 | -141 | 17.2 | 0 | 0 | 0 | 118.1 | H5 | H5-D7 PolarHBondContact O-N 3.17Š| ||
| 8 | H | 49.5 | Very low | 47.6 | Very low | 142 Ų | 142 | 149.7 Ų | 149.7 | 66% | 0.657 | 77% | 0.765 | S | S | * | * | trans | -139 | 15.3 | -177.9 | -83.3 | 70.8 | 0 | 0 | 0 | 115 | N10 | H8-N10 VanDerWaalsContact C-N 3.26Å; H8-N10 PolarHBondContact O-N 3.24Å | ||
| 9 | S | 52 | Low | 47.6 | Very low | 93 Ų | 93 | 151.2 Ų | 151.2 | 65% | 0.65 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | -7.9 | -171.8 | -163.1 | 0 | 0 | 0 | 0 | 115.6 | ||
| 10 | N | 46.8 | Very low | 47.8 | Very low | 168 Ų | 168 | 146.7 Ų | 146.7 | 90% | 0.898 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | 1.1 | -175 | -67.2 | -9.2 | 0 | 0 | 0 | 113.9 | H8 | H8-N10 VanDerWaalsContact C-N 3.26Å; H8-N10 PolarHBondContact O-N 3.24Å |
| 11 | Q | 50.3 | Low | 48.4 | Very low | 152 Ų | 152 | 143.8 Ų | 143.8 | 71% | 0.71 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -96.9 | 5.1 | 174.4 | -150.6 | 173.3 | 72.8 | 0 | 0 | 112.1 | ||
| 12 | L | 47.2 | Very low | 49.4 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 59% | 0.586 | 72% | 0.715 | S | S | * | * | trans | -89.4 | -3.3 | -158.8 | -134 | 103.1 | 0 | 0 | 0 | 116.3 | ||||
| 13 | I | 52.1 | Low | 50.7 | Low | 156 Ų | 156 | 139.6 Ų | 139.6 | 80% | 0.8 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -105 | -13.8 | -169.8 | -58.3 | -179.7 | 0 | 0 | 0 | 114.4 | I15 | I13-I15 PolarHBondContact O-N 2.92Š|
| 14 | C | 51.2 | Low | 52 | Low | 81 Ų | 81 | 129.1 Ų | 129.1 | 55% | 0.547 | 68% | 0.683 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.8 | 4.5 | 176.6 | -66.2 | 0 | 0 | 0 | 0 | 115 | V26 | C14-V26 VanDerWaalsContact SG-CG1 3.59Š|
| 15 | I | 52.5 | Low | 53.7 | Low | 113 Ų | 113 | 126.1 Ų | 126.1 | 58% | 0.579 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.9 | -24 | -146 | -55.4 | 179.5 | 0 | 0 | 0 | 114.4 | I13 Q17 G18 | I13-I15 PolarHBondContact O-N 2.92Å; I15-Q17 PolarHBondContact O-N 2.74Å; I15-G18 PolarHBondContact O-N 3.28Å |
| 16 | S | 49.9 | Very low | 55.2 | Low | 112 Ų | 112 | 121.5 Ų | 121.5 | 78% | 0.783 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -9 | -162.7 | -55.2 | 0 | 0 | 0 | 0 | 117 | ||
| 17 | Q | 46.4 | Very low | 56.7 | Low | 195 Ų | 195 | 115.2 Ų | 115.2 | 91% | 0.911 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.1 | 11.8 | -179.9 | -70.9 | -172.2 | -1.2 | 0 | 0 | 115.9 | I15 | I15-Q17 PolarHBondContact O-N 2.74Š|
| 18 | G | 44.5 | Very low | 58.4 | Low | 60 Ų | 60 | 112.1 Ų | 112.1 | 62% | 0.619 | 62% | 0.62 | S | S | * | * | S | Bend | trans | 76.5 | 129.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | I15 | I15-G18 PolarHBondContact O-N 3.28Š|
| 19 | E | 47.3 | Very low | 60.1 | Low | 179 Ų | 179 | 107 Ų | 107 | 84% | 0.836 | 60% | 0.597 | S | S | * | * | trans | 70.5 | 71 | 167.1 | -49.1 | -178 | -177.2 | 0 | 0 | 116.3 | T21 | E19-T21 PolarHBondContact O-N 2.95Š| ||
| 20 | C | 52.4 | Low | 61.7 | Low | 61 Ų | 61 | 107.1 Ų | 107.1 | 41% | 0.412 | 59% | 0.591 | S | S | . | * | trans | -64.2 | 92.6 | 150.2 | -77.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 21 | T | 60.7 | Low | 63.6 | Low | 86 Ų | 86 | 103.3 Ų | 103.3 | 53% | 0.528 | 57% | 0.571 | S | S | . | * | trans | -53.6 | 153.3 | 170.7 | 62.8 | 0 | 0 | 0 | 0 | 109.2 | E19 R23 S24 | E19-T21 PolarHBondContact O-N 2.95Å; T21-R23 PolarHBondContact O-N 3.07Å; T21-S24 WeakPolarHBondContact O-CB 3.38Å; T21-S24 PolarHBondContact O-N 2.93Å | ||
| 22 | G | 61.3 | Low | 65.3 | Low | 62 Ų | 62 | 98.4 Ų | 98.4 | 64% | 0.639 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -7.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 23 | R | 64.7 | Low | 67.2 | Low | 239 Ų | 239 | 95.4 Ų | 95.4 | 90% | 0.902 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | 3.9 | 179.2 | -52.4 | -178.4 | 106.1 | 123.8 | 1.2 | 113.6 | T21 | T21-R23 PolarHBondContact O-N 3.07Š|
| 24 | S | 73.9 | Confident | 69 | Low | 26 Ų | 26 | 90.1 Ų | 90.1 | 18% | 0.182 | 51% | 0.506 | C | S | . | . | trans | -68.2 | 136.2 | -179.9 | 177.1 | 0 | 0 | 0 | 0 | 111.9 | T21 V26 K27 A28 | T21-S24 WeakPolarHBondContact O-CB 3.38Å; T21-S24 PolarHBondContact O-N 2.93Å; S24-V26 PolarHBondContact O-N 3.31Å; S24-V26 PolarHBondContact OG-N 3.35Å; S24-K27 PolarHBondContact O-N 3.48Å; S24-K27 VanDerWaalsContact O-N 3.13Å; S24-A28 PolarHBondContact O-N 3.45Å | ||
| 25 | I | 81.6 | Confident | 70.8 | Confident | 98 Ų | 98 | 88.7 Ų | 88.7 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -56.3 | -39.1 | 176.8 | -173.2 | 62.8 | 0 | 0 | 0 | 111.9 | K27 A28 L29 L136 | I25-K27 VanDerWaalsContact C-N 3.32Å; I25-K27 PolarHBondContact O-N 2.95Å; I25-A28 PolarHBondContact O-N 3.48Å; I25-L29 HydrophobicContact CD1-CG 4.41Å; I25-L29 HydrophobicContact CG1-CD1 4.12Å; I25-L29 HydrophobicContact CG1-CG 4.37Å; I25-L29 WeakPolarHBondContact O-CB 3.33Å; I25-L29 VanDerWaalsContact O-CG 3.28Å; I25-L29 WeakPolarHBondContact O-CG 3.35Å; I25-L29 PolarHBondContact O-N 3.41Å; I25-L136 HydrophobicContact CG1-CD2 4.34Å |
| 26 | V | 79.8 | Confident | 72.4 | Confident | 69 Ų | 69 | 83.5 Ų | 83.5 | 42% | 0.418 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.8 | -43 | 179.6 | -177.9 | 0 | 0 | 0 | 0 | 110.4 | C14 S24 L29 D30 | C14-V26 VanDerWaalsContact SG-CG1 3.59Å; S24-V26 PolarHBondContact O-N 3.31Å; S24-V26 PolarHBondContact OG-N 3.35Å; V26-L29 PolarHBondContact O-N 3.46Å; V26-D30 WeakPolarHBondContact O-CB 3.33Å; V26-D30 PolarHBondContact O-N 2.83Å |
| 27 | K | 79.9 | Confident | 74.2 | Confident | 97 Ų | 97 | 81.8 Ų | 81.8 | 42% | 0.422 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -70.1 | -36.3 | 177 | -170.1 | 172.4 | -177.3 | 172.7 | 0 | 112.1 | S24 I25 D30 N31 | S24-K27 PolarHBondContact O-N 3.48Å; S24-K27 VanDerWaalsContact O-N 3.13Å; I25-K27 VanDerWaalsContact C-N 3.32Å; I25-K27 PolarHBondContact O-N 2.95Å; K27-D30 PolarHBondContact O-N 3.09Å; K27-N31 VanDerWaalsContact O-CB 3.29Å; K27-N31 WeakPolarHBondContact O-CB 3.19Å; K27-N31 PolarHBondContact O-N 3.18Å; K27-N31 PolarHBondContact O-ND2 3.3Å |
| 28 | A | 83.3 | Confident | 76.2 | Confident | 54 Ų | 54 | 80 Ų | 80 | 45% | 0.446 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | S24 I25 F32 | S24-A28 PolarHBondContact O-N 3.45Å; I25-A28 PolarHBondContact O-N 3.48Å; A28-F32 WeakPolarHBondContact O-CB 3.42Å; A28-F32 PolarHBondContact O-N 3.09Å |
| 29 | L | 84.6 | Confident | 78.3 | Confident | 33 Ų | 33 | 79 Ų | 79 | 17% | 0.173 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -65.3 | -43.6 | 174.8 | -70.5 | 171.9 | 0 | 0 | 0 | 111.8 | I25 V26 F32 L33 L100 F129 L133 | I25-L29 HydrophobicContact CD1-CG 4.41Å; I25-L29 HydrophobicContact CG1-CD1 4.12Å; I25-L29 HydrophobicContact CG1-CG 4.37Å; I25-L29 WeakPolarHBondContact O-CB 3.33Å; I25-L29 VanDerWaalsContact O-CG 3.28Å; I25-L29 WeakPolarHBondContact O-CG 3.35Å; I25-L29 PolarHBondContact O-N 3.41Å; V26-L29 PolarHBondContact O-N 3.46Å; L29-F32 WeakPolarHBondContact O-CB 3.49Å; L29-F32 PolarHBondContact O-N 3.42Å; L29-L33 WeakPolarHBondContact O-CB 3.29Å; L29-L33 WeakPolarHBondContact O-CG 3.35Å; L29-L33 PolarHBondContact O-N 3.03Å; L29-L100 HydrophobicContact CD2-CD1 4.15Å; L29-L100 HydrophobicContact CD2-CD2 3.9Å; L29-F129 HydrophobicContact CD2-CZ 4.4Å; L29-L133 HydrophobicContact CD2-CD1 4.5Å |
| 30 | D | 85.2 | Confident | 80.1 | Confident | 96 Ų | 96 | 75.4 Ų | 75.4 | 51% | 0.513 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 176.4 | -175.3 | 63.2 | 0 | 0 | 0 | 112.1 | V26 K27 F32 L33 T34 | V26-D30 WeakPolarHBondContact O-CB 3.33Å; V26-D30 PolarHBondContact O-N 2.83Å; K27-D30 PolarHBondContact O-N 3.09Å; D30-F32 VanDerWaalsContact C-N 3.33Å; D30-F32 PolarHBondContact O-N 3.4Å; D30-L33 PolarHBondContact O-N 2.9Å; D30-T34 VanDerWaalsContact O-CB 3.3Å; D30-T34 WeakPolarHBondContact O-CB 3.36Å; D30-T34 PolarHBondContact O-N 3.41Å; D30-T34 PolarHBondContact O-OG1 2.89Å |
| 31 | N | 86.4 | Confident | 81.7 | Confident | 88 Ų | 88 | 78 Ų | 78 | 47% | 0.471 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.1 | -42.6 | 173.7 | -76.3 | -22.4 | 0 | 0 | 0 | 111.8 | K27 A35 | K27-N31 VanDerWaalsContact O-CB 3.29Å; K27-N31 WeakPolarHBondContact O-CB 3.19Å; K27-N31 PolarHBondContact O-N 3.18Å; K27-N31 PolarHBondContact O-ND2 3.3Å; N31-A35 VanDerWaalsContact O-CB 3.32Å; N31-A35 WeakPolarHBondContact O-CB 3.19Å; N31-A35 PolarHBondContact O-N 3.28Å |
| 32 | F | 87 | Confident | 83.1 | Confident | 50 Ų | 50 | 79.3 Ų | 79.3 | 22% | 0.219 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -61.2 | -54 | 176.1 | 168.4 | -98.8 | 0 | 0 | 0 | 111.2 | A28 L29 D30 T34 A35 V36 L93 I96 R97 L100 | A28-F32 WeakPolarHBondContact O-CB 3.42Å; A28-F32 PolarHBondContact O-N 3.09Å; L29-F32 WeakPolarHBondContact O-CB 3.49Å; L29-F32 PolarHBondContact O-N 3.42Å; D30-F32 VanDerWaalsContact C-N 3.33Å; D30-F32 PolarHBondContact O-N 3.4Å; F32-T34 VanDerWaalsContact C-N 3.28Å; F32-T34 PolarHBondContact O-N 3.47Å; F32-A35 PolarHBondContact O-N 2.9Å; F32-A35 VanDerWaalsContact O-N 3.07Å; F32-V36 HydrophobicContact CD1-CG2 4.42Å; F32-V36 HydrophobicContact CD2-CG2 3.97Å; F32-V36 HydrophobicContact CE1-CG2 4.05Å; F32-V36 HydrophobicContact CE2-CG2 3.57Å; F32-V36 HydrophobicContact CG-CG2 4.39Å; F32-V36 HydrophobicContact CZ-CG2 3.6Å; F32-V36 WeakPolarHBondContact O-CG2 3.35Å; F32-V36 PolarHBondContact O-N 3.46Å; F32-L93 HydrophobicContact CE2-CD2 3.72Å; F32-L93 HydrophobicContact CZ-CD2 4.3Å; F32-I96 HydrophobicContact CE1-CG2 3.8Å; F32-I96 HydrophobicContact CE2-CG2 4.47Å; F32-I96 HydrophobicContact CZ-CB 4.07Å; F32-I96 HydrophobicContact CZ-CG2 3.49Å; F32-I96 VanDerWaalsContact CZ-CG2 3.49Å; F32-R97 HydrophobicContact CE1-CB 4.48Å; F32-L100 HydrophobicContact CD1-CD2 4.03Å; F32-L100 HydrophobicContact CE1-CD2 4.23Å |
| 33 | L | 86.5 | Confident | 84.3 | Confident | 49 Ų | 49 | 77.8 Ų | 77.8 | 26% | 0.257 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -57.3 | -43.6 | 179.4 | -75.2 | 175.4 | 0 | 0 | 0 | 111.5 | L29 D30 A35 V36 Q37 R97 L100 V101 | L29-L33 WeakPolarHBondContact O-CB 3.29Å; L29-L33 WeakPolarHBondContact O-CG 3.35Å; L29-L33 PolarHBondContact O-N 3.03Å; D30-L33 PolarHBondContact O-N 2.9Å; L33-A35 PolarHBondContact O-N 3.48Å; L33-V36 PolarHBondContact O-N 2.89Å; L33-Q37 VanDerWaalsContact O-CB 3.24Å; L33-Q37 WeakPolarHBondContact O-CB 3.34Å; L33-Q37 PolarHBondContact O-N 3.44Å; L33-R97 HydrophobicContact CD2-CB 4.44Å; L33-R97 HydrophobicContact CD2-CG 3.5Å; L33-R97 VanDerWaalsContact CD2-CG 3.5Å; L33-L100 HydrophobicContact CD1-CD2 3.91Å; L33-L100 HydrophobicContact CD1-CG 4.42Å; L33-L100 HydrophobicContact CD2-CD2 3.61Å; L33-L100 HydrophobicContact CD2-CG 4.25Å; L33-L100 HydrophobicContact CG-CD2 3.67Å; L33-V101 HydrophobicContact CD2-CG2 3.95Å |
| 34 | T | 89 | Confident | 85.2 | Confident | 44 Ų | 44 | 73.7 Ų | 73.7 | 27% | 0.27 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 175.8 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | D30 F32 Q37 R38 | D30-T34 VanDerWaalsContact O-CB 3.3Å; D30-T34 WeakPolarHBondContact O-CB 3.36Å; D30-T34 PolarHBondContact O-N 3.41Å; D30-T34 PolarHBondContact O-OG1 2.89Å; F32-T34 VanDerWaalsContact C-N 3.28Å; F32-T34 PolarHBondContact O-N 3.47Å; T34-Q37 PolarHBondContact O-N 3.23Å; T34-R38 VanDerWaalsContact CG2-CZ 3.45Å; T34-R38 WeakPolarHBondContact O-CG 3.03Å; T34-R38 PolarHBondContact O-N 2.89Å |
| 35 | A | 89.7 | Confident | 85.6 | Confident | 52 Ų | 52 | 77.9 Ų | 77.9 | 43% | 0.43 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.2 | -45 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | N31 F32 L33 Q37 R38 M39 | N31-A35 VanDerWaalsContact O-CB 3.32Å; N31-A35 WeakPolarHBondContact O-CB 3.19Å; N31-A35 PolarHBondContact O-N 3.28Å; F32-A35 PolarHBondContact O-N 2.9Å; F32-A35 VanDerWaalsContact O-N 3.07Å; L33-A35 PolarHBondContact O-N 3.48Å; A35-Q37 VanDerWaalsContact C-N 3.3Å; A35-Q37 PolarHBondContact O-N 2.82Å; A35-R38 PolarHBondContact O-N 3.38Å; A35-M39 WeakPolarHBondContact O-CB 3.39Å; A35-M39 PolarHBondContact O-N 3.42Å |
| 36 | V | 87.4 | Confident | 85.5 | Confident | 4 Ų | 4 | 75 Ų | 75 | 2% | 0.024 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -68.2 | -32.2 | 178 | -173.8 | 0 | 0 | 0 | 0 | 110.8 | F32 L33 M39 K40 L93 R97 | F32-V36 HydrophobicContact CD1-CG2 4.42Å; F32-V36 HydrophobicContact CD2-CG2 3.97Å; F32-V36 HydrophobicContact CE1-CG2 4.05Å; F32-V36 HydrophobicContact CE2-CG2 3.57Å; F32-V36 HydrophobicContact CG-CG2 4.39Å; F32-V36 HydrophobicContact CZ-CG2 3.6Å; F32-V36 WeakPolarHBondContact O-CG2 3.35Å; F32-V36 PolarHBondContact O-N 3.46Å; L33-V36 PolarHBondContact O-N 2.89Å; V36-M39 HydrophobicContact CG1-CE 3.68Å; V36-M39 WeakPolarHBondContact O-CB 3.4Å; V36-K40 PolarHBondContact O-N 3.4Å; V36-K40 VanDerWaalsContact O-N 3.08Å; V36-L93 HydrophobicContact CG1-CB 4.18Å; V36-L93 HydrophobicContact CG2-CB 4.22Å; V36-L93 HydrophobicContact CG2-CD2 4.34Å; V36-R97 HydrophobicContact CG1-CB 3.92Å; V36-R97 HydrophobicContact CG1-CG 4.25Å; V36-R97 PolarHBondContact O-NH2 3.35Å |
| 37 | Q | 86.8 | Confident | 85.3 | Confident | 76 Ų | 76 | 74.7 Ų | 74.7 | 36% | 0.355 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -67.6 | -48.4 | 173.7 | -178.4 | 55.9 | 33.8 | 0 | 0 | 111.5 | L33 T34 A35 M39 K40 E41 | L33-Q37 VanDerWaalsContact O-CB 3.24Å; L33-Q37 WeakPolarHBondContact O-CB 3.34Å; L33-Q37 PolarHBondContact O-N 3.44Å; T34-Q37 PolarHBondContact O-N 3.23Å; A35-Q37 VanDerWaalsContact C-N 3.3Å; A35-Q37 PolarHBondContact O-N 2.82Å; Q37-M39 VanDerWaalsContact C-N 3.27Å; Q37-M39 PolarHBondContact O-N 3.33Å; Q37-K40 WeakPolarHBondContact O-CB 3.32Å; Q37-K40 PolarHBondContact O-N 2.87Å; Q37-E41 PolarHBondContact NE2-OE1 2.77Å; Q37-E41 PolarHBondContact O-N 2.87Å |
| 38 | R | 88.9 | Confident | 85.3 | Confident | 158 Ų | 158 | 78 Ų | 78 | 60% | 0.596 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -56.5 | -41.4 | 172.5 | -74.5 | 179.2 | -176.2 | 134.1 | 3.2 | 112.1 | T34 A35 K40 E41 T42 | T34-R38 VanDerWaalsContact CG2-CZ 3.45Å; T34-R38 WeakPolarHBondContact O-CG 3.03Å; T34-R38 PolarHBondContact O-N 2.89Å; A35-R38 PolarHBondContact O-N 3.38Å; R38-K40 VanDerWaalsContact C-N 3.32Å; R38-K40 PolarHBondContact O-N 3.27Å; R38-E41 PolarHBondContact O-N 3.48Å; R38-T42 WeakPolarHBondContact O-CB 3.3Å; R38-T42 PolarHBondContact O-N 2.99Å; R38-T42 PolarHBondContact O-OG1 2.94Å |
| 39 | M | 87.8 | Confident | 85.2 | Confident | 39 Ų | 39 | 76.7 Ų | 76.7 | 19% | 0.192 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -58.1 | -43.3 | 174.1 | 178.5 | -168.2 | 72.3 | 0 | 0 | 111.4 | A35 V36 Q37 T42 V43 Y90 L93 Q94 | A35-M39 WeakPolarHBondContact O-CB 3.39Å; A35-M39 PolarHBondContact O-N 3.42Å; V36-M39 HydrophobicContact CG1-CE 3.68Å; V36-M39 WeakPolarHBondContact O-CB 3.4Å; Q37-M39 VanDerWaalsContact C-N 3.27Å; Q37-M39 PolarHBondContact O-N 3.33Å; M39-T42 PolarHBondContact O-N 3.28Å; M39-V43 HydrophobicContact CG-CG2 4.17Å; M39-V43 WeakPolarHBondContact O-CB 3.28Å; M39-V43 VanDerWaalsContact O-CG2 3.28Å; M39-V43 WeakPolarHBondContact O-CG2 3.31Å; M39-V43 PolarHBondContact O-N 3.1Å; M39-Y90 HydrophobicContact CE-CD2 3.55Å; M39-Y90 HydrophobicContact CE-CE2 3.78Å; M39-Y90 HydrophobicContact CE-CG 4.36Å; M39-Y90 HydrophobicContact CG-CD2 4.12Å; M39-Y90 HydrophobicContact CG-CE2 4.32Å; M39-Y90 HydrophobicContact SD-CD2 3.76Å; M39-Y90 HydrophobicContact SD-CE2 4.36Å; M39-L93 HydrophobicContact CE-CB 3.99Å; M39-L93 HydrophobicContact CE-CD1 4.14Å; M39-L93 HydrophobicContact SD-CD1 3.61Å; M39-Q94 HydrophobicContact CE-CG 4.22Å |
| 40 | K | 84.4 | Confident | 84.5 | Confident | 102 Ų | 102 | 80.9 Ų | 80.9 | 44% | 0.443 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -69 | -34.5 | 178.7 | 174.2 | -179.1 | 168.4 | -176.4 | 0 | 113 | V36 Q37 R38 T42 | V36-K40 PolarHBondContact O-N 3.4Å; V36-K40 VanDerWaalsContact O-N 3.08Å; Q37-K40 WeakPolarHBondContact O-CB 3.32Å; Q37-K40 PolarHBondContact O-N 2.87Å; R38-K40 VanDerWaalsContact C-N 3.32Å; R38-K40 PolarHBondContact O-N 3.27Å; K40-T42 VanDerWaalsContact C-N 3.33Å |
| 41 | E | 87.1 | Confident | 83.7 | Confident | 117 Ų | 117 | 82.4 Ų | 82.4 | 55% | 0.547 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -70.1 | -32.5 | 174 | -71.3 | 165.8 | -168.1 | 0 | 0 | 112 | Q37 R38 | Q37-E41 PolarHBondContact NE2-OE1 2.77Å; Q37-E41 PolarHBondContact O-N 2.87Å; R38-E41 PolarHBondContact O-N 3.48Å |
| 42 | T | 90.1 | Very high | 82.9 | Confident | 113 Ų | 113 | 82.5 Ų | 82.5 | 69% | 0.693 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -81.1 | -42.4 | 179.7 | -52.1 | 0 | 0 | 0 | 0 | 111.8 | R38 M39 K40 M44 | R38-T42 WeakPolarHBondContact O-CB 3.3Å; R38-T42 PolarHBondContact O-N 2.99Å; R38-T42 PolarHBondContact O-OG1 2.94Å; M39-T42 PolarHBondContact O-N 3.28Å; K40-T42 VanDerWaalsContact C-N 3.33Å; T42-M44 VanDerWaalsContact C-N 3.35Å; T42-M44 PolarHBondContact O-N 2.85Å |
| 43 | V | 86.8 | Confident | 81.3 | Confident | 30 Ų | 30 | 83.1 Ų | 83.1 | 18% | 0.182 | 42% | 0.419 | C | S | . | . | trans | -84.3 | 80 | 179.8 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | M39 M45 P46 L49 Y90 | M39-V43 HydrophobicContact CG-CG2 4.17Å; M39-V43 WeakPolarHBondContact O-CB 3.28Å; M39-V43 VanDerWaalsContact O-CG2 3.28Å; M39-V43 WeakPolarHBondContact O-CG2 3.31Å; M39-V43 PolarHBondContact O-N 3.1Å; V43-M45 VanDerWaalsContact C-N 3.27Å; V43-M45 PolarHBondContact O-N 3.38Å; V43-P46 HydrophobicContact CG1-CB 4.25Å; V43-P46 HydrophobicContact CG1-CG 4.12Å; V43-L49 HydrophobicContact CG1-CD1 3.8Å; V43-L49 HydrophobicContact CG1-CG 4.18Å; V43-L49 HydrophobicContact CG2-CD1 4.34Å; V43-Y90 HydrophobicContact CB-CD2 4.37Å; V43-Y90 HydrophobicContact CB-CE2 3.84Å; V43-Y90 HydrophobicContact CG1-CD2 4.21Å; V43-Y90 HydrophobicContact CG1-CE2 3.82Å; V43-Y90 HydrophobicContact CG2-CD2 4.33Å; V43-Y90 HydrophobicContact CG2-CE2 4.23Å | ||
| 44 | M | 82.6 | Confident | 79.9 | Confident | 153 Ų | 153 | 82.7 Ų | 82.7 | 75% | 0.754 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -67.3 | -27.5 | 178.8 | -64.4 | -67.2 | -78.7 | 0 | 0 | 113 | T42 | T42-M44 VanDerWaalsContact C-N 3.35Å; T42-M44 PolarHBondContact O-N 2.85Å |
| 45 | M | 83.1 | Confident | 78 | Confident | 114 Ų | 114 | 86 Ų | 86 | 56% | 0.562 | 44% | 0.439 | S | S | * | . | trans | -134.7 | 89.6 | -179.3 | -67.6 | -64.2 | -69.3 | 0 | 0 | 110 | V43 S47 R48 | V43-M45 VanDerWaalsContact C-N 3.27Å; V43-M45 PolarHBondContact O-N 3.38Å; M45-S47 PolarHBondContact O-N 3.39Å; M45-R48 HydrophobicContact CB-CG 3.8Å; M45-R48 WeakPolarHBondContact O-CB 3.44Å; M45-R48 PolarHBondContact O-N 2.93Å; M45-R48 VanDerWaalsContact O-N 3.11Å | ||
| 46 | P | 79.6 | Confident | 76.2 | Confident | 38 Ų | 38 | 90.6 Ų | 90.6 | 25% | 0.247 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -31.9 | -176 | -27.8 | 36.4 | 0 | 0 | 0 | 114.4 | V43 R48 L49 Y87 Y90 | V43-P46 HydrophobicContact CG1-CB 4.25Å; V43-P46 HydrophobicContact CG1-CG 4.12Å; P46-R48 PolarHBondContact O-N 2.72Å; P46-L49 VanDerWaalsContact O-CB 3.24Å; P46-L49 WeakPolarHBondContact O-CB 3.46Å; P46-L49 PolarHBondContact O-N 3.17Å; P46-Y87 HydrophobicContact CB-CD2 4.37Å; P46-Y87 HydrophobicContact CB-CE2 4Å; P46-Y87 VanDerWaalsContact O-CD2 3.3Å; P46-Y87 WeakPolarHBondContact O-CD2 3.32Å; P46-Y90 HydrophobicContact CB-CD1 4.13Å; P46-Y90 HydrophobicContact CB-CE1 3.66Å; P46-Y90 HydrophobicContact CG-CE1 3.76Å; P46-Y90 WeakPolarHBondContact CG-OH 3.32Å |
| 47 | S | 75.8 | Confident | 74.4 | Confident | 62 Ų | 62 | 92.7 Ų | 92.7 | 43% | 0.434 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -29.5 | 178.3 | 52.6 | 0 | 0 | 0 | 0 | 113.2 | M45 L49 R50 | M45-S47 PolarHBondContact O-N 3.39Å; S47-L49 PolarHBondContact O-N 3.3Å; S47-R50 WeakPolarHBondContact O-CB 3.39Å; S47-R50 PolarHBondContact O-N 2.94Å |
| 48 | R | 79.7 | Confident | 72.5 | Confident | 166 Ų | 166 | 97.2 Ų | 97.2 | 63% | 0.626 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.8 | -28 | 175.3 | -65.6 | -72.5 | -170.7 | 171.6 | 1.1 | 112 | M45 P46 R50 D51 L52 | M45-R48 HydrophobicContact CB-CG 3.8Å; M45-R48 WeakPolarHBondContact O-CB 3.44Å; M45-R48 PolarHBondContact O-N 2.93Å; M45-R48 VanDerWaalsContact O-N 3.11Å; P46-R48 PolarHBondContact O-N 2.72Å; R48-R50 PolarHBondContact O-N 2.89Å; R48-D51 PolarHBondContact O-N 2.86Å; R48-D51 VanDerWaalsContact O-N 3.17Å; R48-L52 WeakPolarHBondContact O-CD1 3.41Å; R48-L52 PolarHBondContact O-N 3.31Å |
| 49 | L | 80.1 | Confident | 70.6 | Confident | 27 Ų | 27 | 96.8 Ų | 96.8 | 14% | 0.141 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -67.6 | -19 | 177.8 | -63.3 | 177.1 | 0 | 0 | 0 | 113.3 | V43 P46 S47 D51 L86 Y90 | V43-L49 HydrophobicContact CG1-CD1 3.8Å; V43-L49 HydrophobicContact CG1-CG 4.18Å; V43-L49 HydrophobicContact CG2-CD1 4.34Å; P46-L49 VanDerWaalsContact O-CB 3.24Å; P46-L49 WeakPolarHBondContact O-CB 3.46Å; P46-L49 PolarHBondContact O-N 3.17Å; S47-L49 PolarHBondContact O-N 3.3Å; L49-D51 VanDerWaalsContact C-N 3.31Å; L49-L86 HydrophobicContact CB-CB 4.05Å; L49-L86 HydrophobicContact CD2-CB 4.08Å; L49-L86 HydrophobicContact CD2-CD1 4.25Å; L49-L86 HydrophobicContact CG-CB 4.5Å; L49-Y90 HydrophobicContact CD1-CD2 3.93Å; L49-Y90 HydrophobicContact CD1-CG 3.86Å |
| 50 | R | 70.9 | Confident | 69 | Low | 121 Ų | 121 | 102.9 Ų | 102.9 | 46% | 0.457 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.9 | -33.1 | 173.5 | -61.5 | -174.9 | -166.9 | -168.1 | 1 | 111.4 | S47 R48 Y87 | S47-R50 WeakPolarHBondContact O-CB 3.39Å; S47-R50 PolarHBondContact O-N 2.94Å; R48-R50 PolarHBondContact O-N 2.89Å; R50-Y87 HydrophobicContact CG-CD1 3.82Å; R50-Y87 HydrophobicContact CG-CD2 4.14Å; R50-Y87 HydrophobicContact CG-CE1 4.46Å; R50-Y87 HydrophobicContact CG-CG 3.61Å; R50-Y87 PolarHBondContact NH2-OH 3.39Å |
| 51 | D | 69.1 | Low | 66.9 | Low | 128 Ų | 128 | 100 Ų | 100 | 68% | 0.684 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -85.3 | -12.8 | 179.9 | -55.6 | -40.7 | 0 | 0 | 0 | 112.5 | R48 L49 S53 | R48-D51 PolarHBondContact O-N 2.86Å; R48-D51 VanDerWaalsContact O-N 3.17Å; L49-D51 VanDerWaalsContact C-N 3.31Å; D51-S53 PolarHBondContact O-N 2.98Å |
| 52 | L | 68 | Low | 64.8 | Low | 90 Ų | 90 | 100.5 Ų | 100.5 | 47% | 0.471 | 57% | 0.574 | S | S | . | * | trans | -88 | 96.9 | 173.6 | -87.5 | 80.1 | 0 | 0 | 0 | 109.6 | R48 L86 | R48-L52 WeakPolarHBondContact O-CD1 3.41Å; R48-L52 PolarHBondContact O-N 3.31Å; L52-L86 HydrophobicContact CB-CD1 3.91Å; L52-L86 HydrophobicContact CD2-CD1 4.17Å | ||
| 53 | S | 54.6 | Low | 62.4 | Low | 63 Ų | 63 | 99.5 Ų | 99.5 | 44% | 0.441 | 58% | 0.577 | S | S | . | * | B | Isolated β-bridge | trans | -73.2 | 128.1 | 157.9 | 60.4 | 0 | 0 | 0 | 0 | 108.5 | D51 N55 | D51-S53 PolarHBondContact O-N 2.98Å; S53-N55 PolarHBondContact O-N 2.9Å; S53-N55 PolarHBondContact OG-OD1 2.85Å; S53-N55 VanDerWaalsContact OG-OD1 3.13Å |
| 54 | A | 56.1 | Low | 60.2 | Low | 39 Ų | 39 | 107.2 Ų | 107.2 | 32% | 0.322 | 61% | 0.614 | S | S | . | * | trans | -68.2 | 85.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | V56 | A54-V56 PolarHBondContact O-N 3.45Š| ||
| 55 | N | 48.9 | Very low | 58.3 | Low | 115 Ų | 115 | 104.8 Ų | 104.8 | 62% | 0.615 | 61% | 0.612 | S | S | * | * | trans | -69.4 | 87.5 | 164.7 | -88.2 | 37 | 0 | 0 | 0 | 107.5 | S53 G57 | S53-N55 PolarHBondContact O-N 2.9Å; S53-N55 PolarHBondContact OG-OD1 2.85Å; S53-N55 VanDerWaalsContact OG-OD1 3.13Å; N55-G57 PolarHBondContact O-N 2.92Å | ||
| 56 | V | 53.8 | Low | 56.5 | Low | 148 Ų | 148 | 107.3 Ų | 107.3 | 90% | 0.897 | 63% | 0.626 | S | S | * | * | trans | -74.4 | 80.5 | 163.9 | -178.7 | 0 | 0 | 0 | 0 | 106.4 | A54 | A54-V56 PolarHBondContact O-N 3.45Š| ||
| 57 | G | 48.8 | Very low | 54.7 | Low | 48 Ų | 48 | 112.8 Ų | 112.8 | 50% | 0.495 | 65% | 0.653 | S | S | . | * | trans | 175.5 | 120.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | N55 | N55-G57 PolarHBondContact O-N 2.92Š| ||
| 58 | D | 47.1 | Very low | 53.3 | Low | 170 Ų | 170 | 117.2 Ų | 117.2 | 91% | 0.909 | 67% | 0.667 | S | S | * | * | S | Bend | trans | 83.7 | 65.9 | 171.6 | -55.2 | -23.7 | 0 | 0 | 0 | 118.4 | ||
| 59 | D | 49 | Very low | 51.7 | Low | 149 Ų | 149 | 114.7 Ų | 114.7 | 80% | 0.797 | 67% | 0.672 | S | S | * | * | -162.9 | 74.6 | 129.9 | -149.1 | 6.8 | 0 | 0 | 0 | 112 | G61 | D59-G61 PolarHBondContact O-N 3.39Š| |||
| 60 | V | 53.1 | Low | 50 | Low | 168 Ų | 168 | 118.1 Ų | 118.1 | 100% | 1.018 | 70% | 0.695 | S | S | * | * | trans | -81 | 72.2 | 162.6 | -177.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 61 | G | 41 | Very low | 48.9 | Very low | 41 Ų | 41 | 118.3 Ų | 118.3 | 42% | 0.423 | 71% | 0.711 | S | S | . | * | trans | -147.6 | 92.1 | -174 | 0 | 0 | 0 | 0 | 0 | 111 | D59 | D59-G61 PolarHBondContact O-N 3.39Š| ||
| 62 | S | 42.5 | Very low | 47.7 | Very low | 127 Ų | 127 | 117.4 Ų | 117.4 | 89% | 0.888 | 71% | 0.71 | S | S | * | * | S | Bend | trans | 76.3 | 86.1 | 155.3 | -155.3 | 0 | 0 | 0 | 0 | 118 | ||
| 63 | A | 40 | Very low | 46.5 | Very low | 92 Ų | 92 | 121.4 Ų | 121.4 | 76% | 0.76 | 73% | 0.728 | S | S | * | * | 171.8 | 99.6 | 121.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | S65 | A63-S65 PolarHBondContact O-N 2.85Š| |||
| 64 | M | 39.7 | Very low | 46.1 | Very low | 193 Ų | 193 | 122 Ų | 122 | 95% | 0.951 | 74% | 0.737 | S | S | * | * | trans | -63.7 | 111.3 | 159.4 | -78.2 | 179.4 | 152.9 | 0 | 0 | 108.9 | ||||
| 65 | S | 44.2 | Very low | 45.6 | Very low | 102 Ų | 102 | 124.4 Ų | 124.4 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | trans | -135.4 | 107.6 | 154.6 | -75.2 | 0 | 0 | 0 | 0 | 108.6 | A63 | A63-S65 PolarHBondContact O-N 2.85Š| ||
| 66 | I | 45.7 | Very low | 45.3 | Very low | 167 Ų | 167 | 130.3 Ų | 130.3 | 86% | 0.856 | 76% | 0.761 | S | S | * | * | trans | -56.9 | 122.8 | 173.8 | -61.3 | 160.9 | 0 | 0 | 0 | 108.2 | ||||
| 67 | D | 41.1 | Very low | 44.9 | Very low | 153 Ų | 153 | 127.3 Ų | 127.3 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | 167.4 | 16 | 133.4 | -145.5 | 20.5 | 0 | 0 | 0 | 116.1 | ||||
| 68 | H | 46.5 | Very low | 44.5 | Very low | 154 Ų | 154 | 131.5 Ų | 131.5 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -119.2 | 128.9 | 175.5 | 52.2 | 52.8 | 0 | 0 | 0 | 112.5 | ||
| 69 | P | 45.8 | Very low | 44.2 | Very low | 114 Ų | 114 | 127.1 Ų | 127.1 | 74% | 0.74 | 75% | 0.75 | S | S | * | * | trans | -60.2 | 130.7 | 178.3 | 25.9 | -32.3 | 0 | 0 | 0 | 108.2 | T71 | P69-T71 PolarHBondContact O-N 2.89Š| ||
| 70 | P | 45.2 | Very low | 43.8 | Very low | 98 Ų | 98 | 123.3 Ų | 123.3 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | trans | -67 | 131.7 | -174.9 | 31.2 | -34.6 | 0 | 0 | 0 | 107.2 | T72 | P70-T72 WeakPolarHBondContact CB-OG1 3.3Å; P70-T72 WeakPolarHBondContact CG-OG1 3.31Å; P70-T72 PolarHBondContact O-N 3.3Å; P70-T72 PolarHBondContact O-OG1 3.37Å | ||
| 71 | T | 47.8 | Very low | 43.5 | Very low | 126 Ų | 126 | 118.2 Ų | 118.2 | 77% | 0.773 | 72% | 0.72 | S | S | * | * | trans | -62.6 | 58.2 | 162 | -48.5 | 0 | 0 | 0 | 0 | 108.5 | P69 M73 A74 | P69-T71 PolarHBondContact O-N 2.89Å; T71-M73 PolarHBondContact O-N 2.89Å; T71-A74 PolarHBondContact O-N 2.77Å; T71-A74 VanDerWaalsContact O-N 3.13Å | ||
| 72 | T | 43.8 | Very low | 43.9 | Very low | 108 Ų | 108 | 122.3 Ų | 122.3 | 66% | 0.663 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | 38.2 | 175.4 | -48.3 | 0 | 0 | 0 | 0 | 109.8 | P70 | P70-T72 WeakPolarHBondContact CB-OG1 3.3Å; P70-T72 WeakPolarHBondContact CG-OG1 3.31Å; P70-T72 PolarHBondContact O-N 3.3Å; P70-T72 PolarHBondContact O-OG1 3.37Å |
| 73 | M | 42.2 | Very low | 44.4 | Very low | 174 Ų | 174 | 117.8 Ų | 117.8 | 86% | 0.857 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.7 | 24.7 | 163.6 | -68.3 | -65.9 | -172.4 | 0 | 0 | 109 | T71 V75 | T71-M73 PolarHBondContact O-N 2.89Å; M73-V75 PolarHBondContact O-N 3.42Å |
| 74 | A | 45.3 | Very low | 45.3 | Very low | 77 Ų | 77 | 117.6 Ų | 117.6 | 64% | 0.636 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -59.7 | 82.8 | 149.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | T71 R76 | T71-A74 PolarHBondContact O-N 2.77Å; T71-A74 VanDerWaalsContact O-N 3.13Å; A74-R76 PolarHBondContact O-N 2.92Å |
| 75 | V | 46.6 | Very low | 46.5 | Very low | 88 Ų | 88 | 110.1 Ų | 110.1 | 53% | 0.533 | 66% | 0.659 | S | S | . | * | trans | 49.8 | 75.9 | 133 | -179.6 | 0 | 0 | 0 | 0 | 109.8 | M73 M77 | M73-V75 PolarHBondContact O-N 3.42Å; V75-M77 HydrophobicContact CB-CG 4.37Å; V75-M77 HydrophobicContact CG1-CB 3.59Å; V75-M77 HydrophobicContact CG1-CG 3.08Å; V75-M77 PolarHBondContact O-N 2.71Å | ||
| 76 | R | 42.9 | Very low | 48.1 | Very low | 239 Ų | 239 | 108.4 Ų | 108.4 | 90% | 0.902 | 64% | 0.642 | S | S | * | * | trans | -65.5 | 64.2 | 151.6 | -76.1 | -174.2 | 173.5 | 149.4 | -1.7 | 107.7 | A74 T78 | A74-R76 PolarHBondContact O-N 2.92Å; R76-T78 PolarHBondContact O-N 2.9Å | ||
| 77 | M | 45.1 | Very low | 49.7 | Very low | 86 Ų | 86 | 102.2 Ų | 102.2 | 42% | 0.424 | 61% | 0.608 | S | S | . | * | trans | -84.2 | 75.5 | 159.1 | -68 | -72.9 | -179.9 | 0 | 0 | 105.2 | V75 G79 Y84 T121 | V75-M77 HydrophobicContact CB-CG 4.37Å; V75-M77 HydrophobicContact CG1-CB 3.59Å; V75-M77 HydrophobicContact CG1-CG 3.08Å; V75-M77 PolarHBondContact O-N 2.71Å; M77-G79 VanDerWaalsContact C-N 3.31Å; M77-G79 PolarHBondContact O-N 2.87Å; M77-Y84 HydrophobicContact CB-CE1 4.47Å; M77-Y84 WeakPolarHBondContact CB-OH 3.24Å; M77-Y84 PolarHBondContact O-OH 3.46Å; M77-T121 HydrophobicContact CE-CG2 4.14Å; M77-T121 VanDerWaalsContact CE-OG1 3.27Å; M77-T121 WeakPolarHBondContact CE-OG1 3.28Å; M77-T121 HydrophobicContact SD-CG2 4.03Å | ||
| 78 | T | 39.9 | Very low | 51.5 | Low | 136 Ų | 136 | 96.2 Ų | 96.2 | 83% | 0.834 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 93.6 | 165.3 | 45.2 | 0 | 0 | 0 | 0 | 107 | R76 | R76-T78 PolarHBondContact O-N 2.9Š|
| 79 | G | 40.4 | Very low | 53 | Low | 78 Ų | 78 | 93.8 Ų | 93.8 | 80% | 0.804 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 178.3 | -23.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | M77 | M77-G79 VanDerWaalsContact C-N 3.31Å; M77-G79 PolarHBondContact O-N 2.87Å |
| 80 | A | 40.8 | Very low | 54.8 | Low | 68 Ų | 68 | 89.6 Ų | 89.6 | 56% | 0.562 | 53% | 0.533 | S | S | * | . | trans | -153.8 | 116 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y84 | A80-Y84 PolarHBondContact O-OH 3.42Š| ||
| 81 | G | 47.6 | Very low | 56.5 | Low | 62 Ų | 62 | 88.4 Ų | 88.4 | 64% | 0.639 | 52% | 0.518 | S | S | * | . | trans | 55.3 | 152.2 | 141.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | G83 | G81-G83 PolarHBondContact O-N 3.5Å; G81-G83 VanDerWaalsContact O-N 3.1Å | ||
| 82 | P | 48.4 | Very low | 58.1 | Low | 127 Ų | 127 | 82.6 Ų | 82.6 | 83% | 0.825 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -79.1 | 95.8 | 175.7 | 33.2 | -29.1 | 0 | 0 | 0 | 109.4 | ||
| 83 | G | 54 | Low | 60.2 | Low | 32 Ų | 32 | 78.7 Ų | 78.7 | 33% | 0.33 | 46% | 0.458 | S | S | . | . | trans | 139.3 | 78.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G81 P85 | G81-G83 PolarHBondContact O-N 3.5Å; G81-G83 VanDerWaalsContact O-N 3.1Å; G83-P85 WeakPolarHBondContact O-CD 3.21Å | ||
| 84 | Y | 58.2 | Low | 62 | Low | 87 Ų | 87 | 71.6 Ų | 71.6 | 34% | 0.341 | 42% | 0.423 | S | S | . | . | trans | -75.8 | 121 | 162.6 | -70.2 | -84.1 | 0 | 0 | 0 | 108.4 | M77 A80 L86 | M77-Y84 HydrophobicContact CB-CE1 4.47Å; M77-Y84 WeakPolarHBondContact CB-OH 3.24Å; M77-Y84 PolarHBondContact O-OH 3.46Å; A80-Y84 PolarHBondContact O-OH 3.42Å; Y84-L86 PolarHBondContact O-N 3.04Å | ||
| 85 | P | 66 | Low | 63.6 | Low | 37 Ų | 37 | 72.3 Ų | 72.3 | 24% | 0.24 | 41% | 0.414 | C | S | . | . | B | Isolated β-bridge | trans | -68.9 | 110 | 176.2 | 25.9 | -31.1 | 0 | 0 | 0 | 108.9 | G83 Y87 N88 D118 | G83-P85 WeakPolarHBondContact O-CD 3.21Å; P85-Y87 PolarHBondContact O-N 2.91Å; P85-N88 WeakPolarHBondContact CG-ND2 3.32Å; P85-N88 PolarHBondContact O-N 3.32Å; P85-D118 WeakPolarHBondContact CG-OD2 3.44Å |
| 86 | L | 77.1 | Confident | 65.2 | Low | 66 Ų | 66 | 68.6 Ų | 68.6 | 35% | 0.346 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -54.2 | -23.1 | 176.1 | -66.3 | 176.2 | 0 | 0 | 0 | 112.2 | L49 L52 Y84 F89 Y90 | L49-L86 HydrophobicContact CB-CB 4.05Å; L49-L86 HydrophobicContact CD2-CB 4.08Å; L49-L86 HydrophobicContact CD2-CD1 4.25Å; L49-L86 HydrophobicContact CG-CB 4.5Å; L52-L86 HydrophobicContact CB-CD1 3.91Å; L52-L86 HydrophobicContact CD2-CD1 4.17Å; Y84-L86 PolarHBondContact O-N 3.04Å; L86-F89 PolarHBondContact O-N 2.72Å; L86-Y90 WeakPolarHBondContact O-CB 3.37Å; L86-Y90 PolarHBondContact O-N 2.94Å |
| 87 | Y | 79.4 | Confident | 67 | Low | 37 Ų | 37 | 58 Ų | 58 | 15% | 0.145 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.4 | -41.1 | 175.2 | -172.9 | -110.6 | 0 | 0 | 0 | 113.5 | P46 R50 P85 F89 Y90 Q91 | P46-Y87 HydrophobicContact CB-CD2 4.37Å; P46-Y87 HydrophobicContact CB-CE2 4Å; P46-Y87 VanDerWaalsContact O-CD2 3.3Å; P46-Y87 WeakPolarHBondContact O-CD2 3.32Å; R50-Y87 HydrophobicContact CG-CD1 3.82Å; R50-Y87 HydrophobicContact CG-CD2 4.14Å; R50-Y87 HydrophobicContact CG-CE1 4.46Å; R50-Y87 HydrophobicContact CG-CG 3.61Å; R50-Y87 PolarHBondContact NH2-OH 3.39Å; P85-Y87 PolarHBondContact O-N 2.91Å; Y87-F89 VanDerWaalsContact C-N 3.34Å; Y87-F89 PolarHBondContact O-N 3.3Å; Y87-Y90 WeakPolarHBondContact O-CB 3.36Å; Y87-Y90 PolarHBondContact O-N 3.48Å; Y87-Q91 HydrophobicContact CD1-CG 4.34Å; Y87-Q91 HydrophobicContact CE1-CG 3.98Å; Y87-Q91 HydrophobicContact CE2-CG 4.33Å; Y87-Q91 WeakPolarHBondContact O-CG 3.39Å; Y87-Q91 PolarHBondContact O-N 3.38Å |
| 88 | N | 78 | Confident | 68.5 | Low | 26 Ų | 26 | 58.1 Ų | 58.1 | 14% | 0.139 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.5 | -40.8 | -179.4 | -65.9 | -0.5 | 0 | 0 | 0 | 110.6 | P85 Q91 M92 D118 | P85-N88 WeakPolarHBondContact CG-ND2 3.32Å; P85-N88 PolarHBondContact O-N 3.32Å; N88-Q91 PolarHBondContact O-N 2.9Å; N88-M92 WeakPolarHBondContact O-CB 3.25Å; N88-M92 PolarHBondContact O-N 3.24Å; N88-D118 PolarHBondContact ND2-OD2 3.36Å |
| 89 | F | 78.9 | Confident | 70.2 | Confident | 103 Ų | 103 | 53.5 Ų | 53.5 | 45% | 0.452 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65 | -41.8 | 174.7 | -171 | -104.5 | 0 | 0 | 0 | 111.8 | L86 Y87 Q91 M92 L93 | L86-F89 PolarHBondContact O-N 2.72Å; Y87-F89 VanDerWaalsContact C-N 3.34Å; Y87-F89 PolarHBondContact O-N 3.3Å; F89-Q91 PolarHBondContact O-N 2.96Å; F89-M92 HydrophobicContact CD2-CE 3.52Å; F89-M92 HydrophobicContact CE2-CE 3.96Å; F89-M92 HydrophobicContact CG-CE 4.48Å; F89-M92 WeakPolarHBondContact O-CB 3.43Å; F89-M92 PolarHBondContact O-N 2.88Å; F89-L93 HydrophobicContact CD1-CD1 3.73Å; F89-L93 HydrophobicContact CD1-CG 4.23Å; F89-L93 HydrophobicContact CE1-CD1 3.28Å; F89-L93 HydrophobicContact CE1-CD2 4.41Å; F89-L93 HydrophobicContact CE1-CG 3.91Å; F89-L93 HydrophobicContact CZ-CD1 3.86Å; F89-L93 HydrophobicContact CZ-CD2 4.15Å; F89-L93 HydrophobicContact CZ-CG 4.08Å; F89-L93 WeakPolarHBondContact O-CG 3.47Å; F89-L93 PolarHBondContact O-N 3.42Å |
| 90 | Y | 83.3 | Confident | 71.8 | Confident | 26 Ų | 26 | 51.3 Ų | 51.3 | 10% | 0.102 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.3 | -47.7 | 173.6 | 175.3 | -88.9 | 0 | 0 | 0 | 111.4 | M39 V43 P46 L49 L86 Y87 M92 L93 Q94 | M39-Y90 HydrophobicContact CE-CD2 3.55Å; M39-Y90 HydrophobicContact CE-CE2 3.78Å; M39-Y90 HydrophobicContact CE-CG 4.36Å; M39-Y90 HydrophobicContact CG-CD2 4.12Å; M39-Y90 HydrophobicContact CG-CE2 4.32Å; M39-Y90 HydrophobicContact SD-CD2 3.76Å; M39-Y90 HydrophobicContact SD-CE2 4.36Å; V43-Y90 HydrophobicContact CB-CD2 4.37Å; V43-Y90 HydrophobicContact CB-CE2 3.84Å; V43-Y90 HydrophobicContact CG1-CD2 4.21Å; V43-Y90 HydrophobicContact CG1-CE2 3.82Å; V43-Y90 HydrophobicContact CG2-CD2 4.33Å; V43-Y90 HydrophobicContact CG2-CE2 4.23Å; P46-Y90 HydrophobicContact CB-CD1 4.13Å; P46-Y90 HydrophobicContact CB-CE1 3.66Å; P46-Y90 HydrophobicContact CG-CE1 3.76Å; P46-Y90 WeakPolarHBondContact CG-OH 3.32Å; L49-Y90 HydrophobicContact CD1-CD2 3.93Å; L49-Y90 HydrophobicContact CD1-CG 3.86Å; L86-Y90 WeakPolarHBondContact O-CB 3.37Å; L86-Y90 PolarHBondContact O-N 2.94Å; Y87-Y90 WeakPolarHBondContact O-CB 3.36Å; Y87-Y90 PolarHBondContact O-N 3.48Å; Y90-M92 PolarHBondContact O-N 2.66Å; Y90-L93 PolarHBondContact O-N 2.94Å; Y90-Q94 HydrophobicContact CD1-CG 4.06Å; Y90-Q94 HydrophobicContact CE1-CG 3.77Å; Y90-Q94 HydrophobicContact CE2-CG 4.38Å; Y90-Q94 HydrophobicContact CG-CG 4.48Å; Y90-Q94 WeakPolarHBondContact O-CB 3.16Å; Y90-Q94 WeakPolarHBondContact O-CG 3.28Å; Y90-Q94 PolarHBondContact O-N 3.49Å; Y90-Q94 PolarHBondContact OH-NE2 2.92Å |
| 91 | Q | 80.3 | Confident | 73.4 | Confident | 73 Ų | 73 | 52.9 Ų | 52.9 | 34% | 0.341 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61 | -43.8 | 176.9 | -74.3 | 179.9 | -63.3 | 0 | 0 | 111.6 | Y87 N88 F89 L93 Q94 M95 | Y87-Q91 HydrophobicContact CD1-CG 4.34Å; Y87-Q91 HydrophobicContact CE1-CG 3.98Å; Y87-Q91 HydrophobicContact CE2-CG 4.33Å; Y87-Q91 WeakPolarHBondContact O-CG 3.39Å; Y87-Q91 PolarHBondContact O-N 3.38Å; N88-Q91 PolarHBondContact O-N 2.9Å; F89-Q91 PolarHBondContact O-N 2.96Å; Q91-L93 PolarHBondContact O-N 2.95Å; Q91-Q94 WeakPolarHBondContact O-CB 3.36Å; Q91-Q94 PolarHBondContact O-N 3.19Å; Q91-M95 WeakPolarHBondContact O-CG 3.39Å; Q91-M95 PolarHBondContact O-N 3.45Å |
| 92 | M | 82.7 | Confident | 74.3 | Confident | 4 Ų | 4 | 53.9 Ų | 53.9 | 2% | 0.02 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.2 | -52.9 | 176.7 | -165.8 | -164.4 | -14.5 | 0 | 0 | 112.4 | N88 F89 Y90 Q94 M95 I96 V122 L125 S126 | N88-M92 WeakPolarHBondContact O-CB 3.25Å; N88-M92 PolarHBondContact O-N 3.24Å; F89-M92 HydrophobicContact CD2-CE 3.52Å; F89-M92 HydrophobicContact CE2-CE 3.96Å; F89-M92 HydrophobicContact CG-CE 4.48Å; F89-M92 WeakPolarHBondContact O-CB 3.43Å; F89-M92 PolarHBondContact O-N 2.88Å; Y90-M92 PolarHBondContact O-N 2.66Å; M92-Q94 PolarHBondContact O-N 3.06Å; M92-M95 PolarHBondContact O-N 3.37Å; M92-I96 HydrophobicContact CG-CD1 3.98Å; M92-I96 WeakPolarHBondContact O-CG1 3.24Å; M92-I96 PolarHBondContact O-N 3.02Å; M92-I96 HydrophobicContact SD-CD1 4.27Å; M92-V122 HydrophobicContact CB-CG1 3.65Å; M92-V122 HydrophobicContact CE-CB 3.8Å; M92-V122 HydrophobicContact CE-CG1 3.48Å; M92-V122 VanDerWaalsContact CE-CG1 3.48Å; M92-V122 HydrophobicContact CE-CG2 3.5Å; M92-V122 VanDerWaalsContact CE-CG2 3.5Å; M92-V122 HydrophobicContact CG-CG1 3.64Å; M92-V122 HydrophobicContact SD-CB 4.37Å; M92-V122 HydrophobicContact SD-CG1 3.85Å; M92-L125 HydrophobicContact SD-CB 4.25Å; M92-L125 HydrophobicContact SD-CD2 4.02Å; M92-L125 HydrophobicContact SD-CG 4.3Å; M92-S126 WeakPolarHBondContact CG-OG 3.27Å |
| 93 | L | 86.1 | Confident | 74.9 | Confident | 27 Ų | 27 | 49.1 Ų | 49.1 | 14% | 0.141 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.4 | -36.2 | 180 | -71.3 | 179.4 | 0 | 0 | 0 | 111.7 | F32 V36 M39 F89 Y90 Q91 R97 | F32-L93 HydrophobicContact CE2-CD2 3.72Å; F32-L93 HydrophobicContact CZ-CD2 4.3Å; V36-L93 HydrophobicContact CG1-CB 4.18Å; V36-L93 HydrophobicContact CG2-CB 4.22Å; V36-L93 HydrophobicContact CG2-CD2 4.34Å; M39-L93 HydrophobicContact CE-CB 3.99Å; M39-L93 HydrophobicContact CE-CD1 4.14Å; M39-L93 HydrophobicContact SD-CD1 3.61Å; F89-L93 HydrophobicContact CD1-CD1 3.73Å; F89-L93 HydrophobicContact CD1-CG 4.23Å; F89-L93 HydrophobicContact CE1-CD1 3.28Å; F89-L93 HydrophobicContact CE1-CD2 4.41Å; F89-L93 HydrophobicContact CE1-CG 3.91Å; F89-L93 HydrophobicContact CZ-CD1 3.86Å; F89-L93 HydrophobicContact CZ-CD2 4.15Å; F89-L93 HydrophobicContact CZ-CG 4.08Å; F89-L93 WeakPolarHBondContact O-CG 3.47Å; F89-L93 PolarHBondContact O-N 3.42Å; Y90-L93 PolarHBondContact O-N 2.94Å; Q91-L93 PolarHBondContact O-N 2.95Å; L93-R97 WeakPolarHBondContact O-CB 3.36Å; L93-R97 PolarHBondContact O-N 2.93Å |
| 94 | Q | 81.8 | Confident | 75 | Confident | 25 Ų | 25 | 52.6 Ų | 52.6 | 12% | 0.117 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.4 | -42.5 | 176.9 | -69.3 | -79 | 36.2 | 0 | 0 | 112.2 | M39 Y90 Q91 M92 R97 N98 | M39-Q94 HydrophobicContact CE-CG 4.22Å; Y90-Q94 HydrophobicContact CD1-CG 4.06Å; Y90-Q94 HydrophobicContact CE1-CG 3.77Å; Y90-Q94 HydrophobicContact CE2-CG 4.38Å; Y90-Q94 HydrophobicContact CG-CG 4.48Å; Y90-Q94 WeakPolarHBondContact O-CB 3.16Å; Y90-Q94 WeakPolarHBondContact O-CG 3.28Å; Y90-Q94 PolarHBondContact O-N 3.49Å; Y90-Q94 PolarHBondContact OH-NE2 2.92Å; Q91-Q94 WeakPolarHBondContact O-CB 3.36Å; Q91-Q94 PolarHBondContact O-N 3.19Å; M92-Q94 PolarHBondContact O-N 3.06Å; Q94-R97 PolarHBondContact O-N 2.89Å; Q94-N98 WeakPolarHBondContact O-CB 3.18Å; Q94-N98 PolarHBondContact O-N 3.47Å; Q94-N98 PolarHBondContact O-ND2 3.16Å; Q94-N98 PolarHBondContact O-OD1 3.25Å |
| 95 | M | 77.5 | Confident | 74.6 | Confident | 91 Ų | 91 | 52.8 Ų | 52.8 | 45% | 0.448 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.3 | -50 | 174.7 | -71.5 | -174 | -63.8 | 0 | 0 | 110.8 | Q91 M92 R97 N98 E99 | Q91-M95 WeakPolarHBondContact O-CG 3.39Å; Q91-M95 PolarHBondContact O-N 3.45Å; M92-M95 PolarHBondContact O-N 3.37Å; M95-R97 VanDerWaalsContact C-N 3.31Å; M95-R97 PolarHBondContact O-N 3.21Å; M95-N98 PolarHBondContact O-N 2.8Å; M95-N98 VanDerWaalsContact O-N 3.16Å; M95-E99 PolarHBondContact O-N 3.43Å |
| 96 | I | 80.5 | Confident | 73.9 | Confident | 11 Ų | 11 | 56.1 Ų | 56.1 | 6% | 0.056 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.3 | -42.8 | 178.7 | -67 | 168.2 | 0 | 0 | 0 | 111.1 | F32 M92 L100 F129 | F32-I96 HydrophobicContact CE1-CG2 3.8Å; F32-I96 HydrophobicContact CE2-CG2 4.47Å; F32-I96 HydrophobicContact CZ-CB 4.07Å; F32-I96 HydrophobicContact CZ-CG2 3.49Å; F32-I96 VanDerWaalsContact CZ-CG2 3.49Å; M92-I96 HydrophobicContact CG-CD1 3.98Å; M92-I96 WeakPolarHBondContact O-CG1 3.24Å; M92-I96 PolarHBondContact O-N 3.02Å; M92-I96 HydrophobicContact SD-CD1 4.27Å; I96-L100 VanDerWaalsContact O-CB 3.31Å; I96-L100 WeakPolarHBondContact O-CB 3.29Å; I96-L100 PolarHBondContact O-N 3.12Å; I96-F129 HydrophobicContact CG1-CD1 4.33Å; I96-F129 HydrophobicContact CG2-CD1 3.56Å; I96-F129 HydrophobicContact CG2-CE1 3.32Å; I96-F129 HydrophobicContact CG2-CG 4.35Å; I96-F129 HydrophobicContact CG2-CZ 3.93Å |
| 97 | R | 82.2 | Confident | 72.6 | Confident | 16 Ų | 16 | 59.6 Ų | 59.6 | 6% | 0.06 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.6 | -43 | 177.1 | -172.4 | -127.8 | -80.9 | 150.1 | 1.1 | 111.8 | F32 L33 V36 L93 Q94 M95 E99 L100 V101 | F32-R97 HydrophobicContact CE1-CB 4.48Å; L33-R97 HydrophobicContact CD2-CB 4.44Å; L33-R97 HydrophobicContact CD2-CG 3.5Å; L33-R97 VanDerWaalsContact CD2-CG 3.5Å; V36-R97 HydrophobicContact CG1-CB 3.92Å; V36-R97 HydrophobicContact CG1-CG 4.25Å; V36-R97 PolarHBondContact O-NH2 3.35Å; L93-R97 WeakPolarHBondContact O-CB 3.36Å; L93-R97 PolarHBondContact O-N 2.93Å; Q94-R97 PolarHBondContact O-N 2.89Å; M95-R97 VanDerWaalsContact C-N 3.31Å; M95-R97 PolarHBondContact O-N 3.21Å; R97-E99 VanDerWaalsContact C-N 3.33Å; R97-E99 PolarHBondContact O-N 3.45Å; R97-L100 PolarHBondContact O-N 3.45Å; R97-V101 HydrophobicContact CG-CG2 4.27Å; R97-V101 WeakPolarHBondContact O-CB 3.36Å; R97-V101 VanDerWaalsContact O-CG2 3.27Å; R97-V101 WeakPolarHBondContact O-CG2 3.05Å; R97-V101 PolarHBondContact O-N 3.49Å |
| 98 | N | 75.1 | Confident | 71.4 | Confident | 88 Ų | 88 | 64.8 Ų | 64.8 | 47% | 0.471 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 179.3 | -71.5 | -13.6 | 0 | 0 | 0 | 111 | Q94 M95 V101 S102 | Q94-N98 WeakPolarHBondContact O-CB 3.18Å; Q94-N98 PolarHBondContact O-N 3.47Å; Q94-N98 PolarHBondContact O-ND2 3.16Å; Q94-N98 PolarHBondContact O-OD1 3.25Å; M95-N98 PolarHBondContact O-N 2.8Å; M95-N98 VanDerWaalsContact O-N 3.16Å; N98-V101 PolarHBondContact O-N 3.49Å; N98-S102 WeakPolarHBondContact O-CB 3.24Å; N98-S102 PolarHBondContact O-N 3.21Å; N98-S102 PolarHBondContact O-OG 3.13Å |
| 99 | E | 76.2 | Confident | 70.2 | Confident | 40 Ų | 40 | 70 Ų | 70 | 19% | 0.187 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.3 | -40.2 | 175.9 | -175.8 | -171.1 | -178.7 | 0 | 0 | 112.7 | M95 R97 V101 G103 Q130 | M95-E99 PolarHBondContact O-N 3.43Å; R97-E99 VanDerWaalsContact C-N 3.33Å; R97-E99 PolarHBondContact O-N 3.45Å; E99-V101 VanDerWaalsContact C-N 3.31Å; E99-V101 PolarHBondContact O-N 2.95Å; E99-G103 CarbonylContact O-C 3.52Å; E99-G103 VanDerWaalsContact O-CA 3.24Å; E99-G103 WeakPolarHBondContact O-CA 3.48Å; E99-G103 PolarHBondContact O-N 3.42Å; E99-Q130 VanDerWaalsContact CD-CG 3.49Å; E99-Q130 VanDerWaalsContact OE1-CB 3.25Å; E99-Q130 WeakPolarHBondContact OE1-CB 3.46Å; E99-Q130 WeakPolarHBondContact OE1-CG 3.29Å; E99-Q130 PolarHBondContact OE1-NE2 2.87Å; E99-Q130 WeakPolarHBondContact OE2-CG 3.41Å; E99-Q130 PolarHBondContact OE2-NE2 3.22Å |
| 100 | L | 74.7 | Confident | 68.9 | Low | 32 Ų | 32 | 75.8 Ų | 75.8 | 17% | 0.168 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64.8 | -35.5 | 177.2 | -176 | 61.3 | 0 | 0 | 0 | 112.3 | L29 F32 L33 I96 R97 L133 | L29-L100 HydrophobicContact CD2-CD1 4.15Å; L29-L100 HydrophobicContact CD2-CD2 3.9Å; F32-L100 HydrophobicContact CD1-CD2 4.03Å; F32-L100 HydrophobicContact CE1-CD2 4.23Å; L33-L100 HydrophobicContact CD1-CD2 3.91Å; L33-L100 HydrophobicContact CD1-CG 4.42Å; L33-L100 HydrophobicContact CD2-CD2 3.61Å; L33-L100 HydrophobicContact CD2-CG 4.25Å; L33-L100 HydrophobicContact CG-CD2 3.67Å; I96-L100 VanDerWaalsContact O-CB 3.31Å; I96-L100 WeakPolarHBondContact O-CB 3.29Å; I96-L100 PolarHBondContact O-N 3.12Å; R97-L100 PolarHBondContact O-N 3.45Å; L100-L133 HydrophobicContact CD1-CD2 3.76Å |
| 101 | V | 72.4 | Confident | 67.6 | Low | 100 Ų | 100 | 80.9 Ų | 80.9 | 61% | 0.606 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -86.3 | -41.5 | -177.9 | 174.3 | 0 | 0 | 0 | 0 | 112.3 | L33 R97 N98 E99 | L33-V101 HydrophobicContact CD2-CG2 3.95Å; R97-V101 HydrophobicContact CG-CG2 4.27Å; R97-V101 WeakPolarHBondContact O-CB 3.36Å; R97-V101 VanDerWaalsContact O-CG2 3.27Å; R97-V101 WeakPolarHBondContact O-CG2 3.05Å; R97-V101 PolarHBondContact O-N 3.49Å; N98-V101 PolarHBondContact O-N 3.49Å; E99-V101 VanDerWaalsContact C-N 3.31Å; E99-V101 PolarHBondContact O-N 2.95Å |
| 102 | S | 67.9 | Low | 66 | Low | 83 Ų | 83 | 86.2 Ų | 86.2 | 58% | 0.58 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -89 | -13.2 | -176.2 | -63.3 | 0 | 0 | 0 | 0 | 113.3 | N98 | N98-S102 WeakPolarHBondContact O-CB 3.24Å; N98-S102 PolarHBondContact O-N 3.21Å; N98-S102 PolarHBondContact O-OG 3.13Å |
| 103 | G | 60 | Low | 64.3 | Low | 27 Ų | 27 | 90.5 Ų | 90.5 | 28% | 0.278 | 50% | 0.5 | S | S | . | . | trans | 73.3 | 171.8 | -169.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E99 T105 | E99-G103 CarbonylContact O-C 3.52Å; E99-G103 VanDerWaalsContact O-CA 3.24Å; E99-G103 WeakPolarHBondContact O-CA 3.48Å; E99-G103 PolarHBondContact O-N 3.42Å; G103-T105 PolarHBondContact O-N 2.94Å | ||
| 104 | P | 57.2 | Low | 62.3 | Low | 106 Ų | 106 | 98.1 Ų | 98.1 | 69% | 0.688 | 54% | 0.535 | S | S | * | . | trans | -66.6 | 85.8 | 173.7 | 27.2 | -32.3 | 0 | 0 | 0 | 109.2 | A106 | P104-A106 PolarHBondContact O-N 2.86Š| ||
| 105 | T | 49.7 | Very low | 60.7 | Low | 90 Ų | 90 | 103.8 Ų | 103.8 | 55% | 0.552 | 56% | 0.561 | S | S | * | * | trans | -72.9 | 121.1 | 171.7 | 53.9 | 0 | 0 | 0 | 0 | 108 | G103 D107 | G103-T105 PolarHBondContact O-N 2.94Å; T105-D107 PolarHBondContact O-N 2.97Å | ||
| 106 | A | 51.1 | Low | 59 | Low | 107 Ų | 107 | 107.7 Ų | 107.7 | 88% | 0.884 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -67 | 14.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | P104 | P104-A106 PolarHBondContact O-N 2.86Š|
| 107 | D | 50 | Low | 57.5 | Low | 140 Ų | 140 | 110.5 Ų | 110.5 | 75% | 0.749 | 62% | 0.615 | S | S | * | * | trans | -110.4 | 41 | -175.5 | -82.1 | -62.4 | 0 | 0 | 0 | 112.2 | T105 D109 | T105-D107 PolarHBondContact O-N 2.97Å; D107-D109 PolarHBondContact O-N 3.48Å | ||
| 108 | D | 54 | Low | 56.1 | Low | 146 Ų | 146 | 115 Ų | 115 | 78% | 0.781 | 64% | 0.64 | S | S | * | * | trans | -76.9 | 59.1 | 172.8 | -167.8 | 47.9 | 0 | 0 | 0 | 111.8 | ||||
| 109 | D | 51.9 | Low | 55.6 | Low | 134 Ų | 134 | 112.9 Ų | 112.9 | 72% | 0.717 | 63% | 0.629 | S | S | * | * | trans | -116.9 | 22.1 | 176.2 | -149.4 | 10.9 | 0 | 0 | 0 | 112.2 | D107 | D107-D109 PolarHBondContact O-N 3.48Š| ||
| 110 | R | 52.7 | Low | 55.4 | Low | 226 Ų | 226 | 114.8 Ų | 114.8 | 85% | 0.853 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -130.1 | 10.4 | -170.4 | -76.9 | -173 | 68.6 | -178.4 | 0.7 | 118.1 | ||
| 111 | L | 55.4 | Low | 55.3 | Low | 133 Ų | 133 | 115.8 Ų | 115.8 | 70% | 0.696 | 65% | 0.646 | S | S | * | * | trans | -129.5 | 53.7 | 169.7 | -66.8 | 173.5 | 0 | 0 | 0 | 112.4 | S113 | L111-S113 PolarHBondContact O-N 2.97Š| ||
| 112 | K | 46.5 | Very low | 55.2 | Low | 184 Ų | 184 | 112 Ų | 112 | 80% | 0.8 | 62% | 0.623 | S | S | * | * | trans | -76.5 | 68.4 | 150.2 | -68.9 | -173.6 | 176.3 | 179.6 | 0 | 108.7 | ||||
| 113 | S | 47.6 | Very low | 55.5 | Low | 94 Ų | 94 | 115.2 Ų | 115.2 | 66% | 0.657 | 62% | 0.622 | S | S | * | * | trans | -98.4 | 103 | 163 | -69.5 | 0 | 0 | 0 | 0 | 106.9 | L111 E115 | L111-S113 PolarHBondContact O-N 2.97Å; S113-E115 VanDerWaalsContact C-N 3.32Å; S113-E115 PolarHBondContact O-N 2.95Å | ||
| 114 | E | 44.5 | Very low | 56.5 | Low | 188 Ų | 188 | 121.5 Ų | 121.5 | 88% | 0.879 | 64% | 0.638 | S | S | * | * | trans | -64.2 | 87.4 | 172 | -53.5 | -175.2 | 167 | 0 | 0 | 108.8 | ||||
| 115 | E | 47.7 | Very low | 57.4 | Low | 143 Ų | 143 | 121.4 Ų | 121.4 | 67% | 0.668 | 63% | 0.631 | S | S | * | * | trans | -121.8 | 89.8 | 158 | -78.8 | -171.6 | 169.7 | 0 | 0 | 107.8 | S113 G117 | S113-E115 VanDerWaalsContact C-N 3.32Å; S113-E115 PolarHBondContact O-N 2.95Å; E115-G117 PolarHBondContact O-N 3.39Å | ||
| 116 | D | 41.8 | Very low | 58.7 | Low | 173 Ų | 173 | 117.4 Ų | 117.4 | 93% | 0.925 | 61% | 0.607 | S | S | * | * | trans | -42.8 | 120.9 | 164.2 | -174 | 45.5 | 0 | 0 | 0 | 111.5 | ||||
| 117 | G | 48 | Very low | 60 | Low | 70 Ų | 70 | 115.4 Ų | 115.4 | 72% | 0.722 | 58% | 0.581 | S | S | * | * | S | Bend | trans | 125.1 | -16.1 | 147.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | E115 | E115-G117 PolarHBondContact O-N 3.39Š|
| 118 | D | 53.3 | Low | 61.5 | Low | 110 Ų | 110 | 110.2 Ų | 110.2 | 59% | 0.588 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -133.5 | 109.6 | -165.7 | -150.6 | 24.5 | 0 | 0 | 0 | 116.7 | P85 N88 | P85-D118 WeakPolarHBondContact CG-OD2 3.44Å; N88-D118 PolarHBondContact ND2-OD2 3.36Å |
| 119 | D | 65.3 | Low | 62.9 | Low | 45 Ų | 45 | 106.1 Ų | 106.1 | 24% | 0.241 | 53% | 0.532 | C | S | . | . | trans | 91 | 67.5 | 160.9 | -140.7 | -15.8 | 0 | 0 | 0 | 119.5 | T121 V122 R123 | D119-T121 PolarHBondContact O-N 2.99Å; D119-T121 VanDerWaalsContact O-N 3.12Å; D119-T121 WeakPolarHBondContact OD1-CA 2.96Å; D119-T121 VanDerWaalsContact OD1-CB 3.29Å; D119-T121 WeakPolarHBondContact OD1-CB 3.45Å; D119-T121 PolarHBondContact OD1-N 3.43Å; D119-T121 PolarHBondContact OD1-OG1 2.98Å; D119-V122 HydrophobicContact CB-CB 3.91Å; D119-V122 HydrophobicContact CB-CG2 3.77Å; D119-V122 WeakPolarHBondContact O-CB 3.43Å; D119-V122 PolarHBondContact O-N 3.16Å; D119-V122 VanDerWaalsContact O-N 3.16Å; D119-V122 PolarHBondContact OD1-N 3.31Å; D119-V122 WeakPolarHBondContact OD2-CG2 3.46Å; D119-R123 PolarHBondContact O-N 3.49Å; D119-R123 VanDerWaalsContact O-N 3.13Å | ||
| 120 | E | 72.4 | Confident | 64 | Low | 79 Ų | 79 | 102.8 Ų | 102.8 | 37% | 0.369 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -49.4 | -29.7 | 163.4 | 174.3 | 64.9 | -176.5 | 0 | 0 | 112.9 | R123 R124 | E120-R123 IonicContact OE2-CZ 2.9Å; E120-R123 IonicContact OE2-NE 3.4Å; E120-R123 PolarHBondContact OE2-NE 3.37Å; E120-R123 IonicContact OE2-NH2 2.71Å; E120-R123 PolarHBondContact OE2-NH2 2.9Å; E120-R124 HydrophobicContact CG-CG 4.44Å; E120-R124 VanDerWaalsContact O-CB 3.32Å; E120-R124 WeakPolarHBondContact O-CB 3.34Å; E120-R124 WeakPolarHBondContact O-CG 3.4Å; E120-R124 PolarHBondContact O-N 2.98Å; E120-R124 IonicContact OE1-CZ 3.84Å; E120-R124 VanDerWaalsContact OE1-CZ 3.24Å; E120-R124 IonicContact OE1-NE 3.24Å; E120-R124 PolarHBondContact OE1-NE 2.73Å; E120-R124 IonicContact OE1-NH2 2.74Å; E120-R124 PolarHBondContact OE1-NH2 2.53Å |
| 121 | T | 72.6 | Confident | 65.5 | Low | 54 Ų | 54 | 98.3 Ų | 98.3 | 33% | 0.331 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -73 | -41.2 | -179.8 | 77.5 | 0 | 0 | 0 | 0 | 111.8 | M77 D119 R124 L125 | M77-T121 HydrophobicContact CE-CG2 4.14Å; M77-T121 VanDerWaalsContact CE-OG1 3.27Å; M77-T121 WeakPolarHBondContact CE-OG1 3.28Å; M77-T121 HydrophobicContact SD-CG2 4.03Å; D119-T121 PolarHBondContact O-N 2.99Å; D119-T121 VanDerWaalsContact O-N 3.12Å; D119-T121 WeakPolarHBondContact OD1-CA 2.96Å; D119-T121 VanDerWaalsContact OD1-CB 3.29Å; D119-T121 WeakPolarHBondContact OD1-CB 3.45Å; D119-T121 PolarHBondContact OD1-N 3.43Å; D119-T121 PolarHBondContact OD1-OG1 2.98Å; T121-R124 PolarHBondContact O-N 3.4Å; T121-L125 WeakPolarHBondContact O-CB 3.2Å; T121-L125 PolarHBondContact O-N 2.91Å |
| 122 | V | 70.4 | Confident | 67 | Low | 20 Ų | 20 | 98.6 Ų | 98.6 | 12% | 0.121 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -60 | -48.5 | 173.6 | 160.8 | 0 | 0 | 0 | 0 | 110.2 | M92 D119 R124 L125 S126 | M92-V122 HydrophobicContact CB-CG1 3.65Å; M92-V122 HydrophobicContact CE-CB 3.8Å; M92-V122 HydrophobicContact CE-CG1 3.48Å; M92-V122 VanDerWaalsContact CE-CG1 3.48Å; M92-V122 HydrophobicContact CE-CG2 3.5Å; M92-V122 VanDerWaalsContact CE-CG2 3.5Å; M92-V122 HydrophobicContact CG-CG1 3.64Å; M92-V122 HydrophobicContact SD-CB 4.37Å; M92-V122 HydrophobicContact SD-CG1 3.85Å; D119-V122 HydrophobicContact CB-CB 3.91Å; D119-V122 HydrophobicContact CB-CG2 3.77Å; D119-V122 WeakPolarHBondContact O-CB 3.43Å; D119-V122 PolarHBondContact O-N 3.16Å; D119-V122 VanDerWaalsContact O-N 3.16Å; D119-V122 PolarHBondContact OD1-N 3.31Å; D119-V122 WeakPolarHBondContact OD2-CG2 3.46Å; V122-R124 PolarHBondContact O-N 2.96Å; V122-L125 PolarHBondContact O-N 3.13Å; V122-S126 PolarHBondContact O-N 2.89Å; V122-S126 PolarHBondContact O-OG 2.83Å |
| 123 | R | 73.7 | Confident | 68.8 | Low | 151 Ų | 151 | 90.4 Ų | 90.4 | 57% | 0.57 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -62.2 | -42.9 | 177.9 | -167.3 | 175.8 | 68.9 | 153.6 | 1 | 112 | D119 E120 L125 S126 N127 | D119-R123 PolarHBondContact O-N 3.49Å; D119-R123 VanDerWaalsContact O-N 3.13Å; E120-R123 IonicContact OE2-CZ 2.9Å; E120-R123 IonicContact OE2-NE 3.4Å; E120-R123 PolarHBondContact OE2-NE 3.37Å; E120-R123 IonicContact OE2-NH2 2.71Å; E120-R123 PolarHBondContact OE2-NH2 2.9Å; R123-L125 VanDerWaalsContact C-N 3.35Å; R123-L125 PolarHBondContact O-N 3.3Å; R123-S126 PolarHBondContact O-N 3.36Å; R123-N127 WeakPolarHBondContact O-CB 3.42Å; R123-N127 PolarHBondContact O-N 2.97Å; R123-N127 PolarHBondContact O-ND2 2.92Å |
| 124 | R | 80 | Confident | 70.5 | Confident | 159 Ų | 159 | 92.2 Ų | 92.2 | 60% | 0.6 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -60.3 | -43.3 | 174.5 | -79 | 174.9 | -174 | -171.7 | 8.9 | 112.1 | E120 T121 V122 N127 A128 | E120-R124 HydrophobicContact CG-CG 4.44Å; E120-R124 VanDerWaalsContact O-CB 3.32Å; E120-R124 WeakPolarHBondContact O-CB 3.34Å; E120-R124 WeakPolarHBondContact O-CG 3.4Å; E120-R124 PolarHBondContact O-N 2.98Å; E120-R124 IonicContact OE1-CZ 3.84Å; E120-R124 VanDerWaalsContact OE1-CZ 3.24Å; E120-R124 IonicContact OE1-NE 3.24Å; E120-R124 PolarHBondContact OE1-NE 2.73Å; E120-R124 IonicContact OE1-NH2 2.74Å; E120-R124 PolarHBondContact OE1-NH2 2.53Å; T121-R124 PolarHBondContact O-N 3.4Å; V122-R124 PolarHBondContact O-N 2.96Å; R124-N127 PolarHBondContact O-N 3.2Å; R124-A128 VanDerWaalsContact O-CB 3.28Å; R124-A128 WeakPolarHBondContact O-CB 3.31Å; R124-A128 PolarHBondContact O-N 3.19Å |
| 125 | L | 77.7 | Confident | 72.5 | Confident | 104 Ų | 104 | 84.8 Ų | 84.8 | 55% | 0.545 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.2 | -45.1 | -179.7 | -178.1 | 60.7 | 0 | 0 | 0 | 111.5 | M92 T121 V122 R123 A128 F129 | M92-L125 HydrophobicContact SD-CB 4.25Å; M92-L125 HydrophobicContact SD-CD2 4.02Å; M92-L125 HydrophobicContact SD-CG 4.3Å; T121-L125 WeakPolarHBondContact O-CB 3.2Å; T121-L125 PolarHBondContact O-N 2.91Å; V122-L125 PolarHBondContact O-N 3.13Å; R123-L125 VanDerWaalsContact C-N 3.35Å; R123-L125 PolarHBondContact O-N 3.3Å; L125-A128 PolarHBondContact O-N 3.43Å; L125-F129 WeakPolarHBondContact O-CB 3.35Å; L125-F129 PolarHBondContact O-N 3.31Å |
| 126 | S | 76.6 | Confident | 74.4 | Confident | 6 Ų | 6 | 81 Ų | 81 | 4% | 0.042 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -54.2 | -60.1 | 170.9 | -70.3 | 0 | 0 | 0 | 0 | 110.1 | M92 V122 R123 A128 F129 Q130 | M92-S126 WeakPolarHBondContact CG-OG 3.27Å; V122-S126 PolarHBondContact O-N 2.89Å; V122-S126 PolarHBondContact O-OG 2.83Å; R123-S126 PolarHBondContact O-N 3.36Å; S126-A128 VanDerWaalsContact C-N 3.27Å; S126-A128 PolarHBondContact O-N 3.27Å; S126-F129 WeakPolarHBondContact O-CA 3Å; S126-F129 WeakPolarHBondContact O-CB 3.27Å; S126-F129 PolarHBondContact O-N 3.48Å; S126-Q130 VanDerWaalsContact O-CG 3.24Å; S126-Q130 WeakPolarHBondContact O-CG 3.44Å; S126-Q130 PolarHBondContact O-N 3.29Å |
| 127 | N | 77.9 | Confident | 76.5 | Confident | 65 Ų | 65 | 77.8 Ų | 77.8 | 35% | 0.348 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -54.5 | -42 | -177.5 | -71.2 | -13.7 | 0 | 0 | 0 | 112.6 | R123 R124 Q130 Q131 | R123-N127 WeakPolarHBondContact O-CB 3.42Å; R123-N127 PolarHBondContact O-N 2.97Å; R123-N127 PolarHBondContact O-ND2 2.92Å; R124-N127 PolarHBondContact O-N 3.2Å; N127-Q130 PolarHBondContact O-N 2.92Å; N127-Q131 WeakPolarHBondContact O-CB 3.42Å; N127-Q131 WeakPolarHBondContact O-CG 3.43Å; N127-Q131 PolarHBondContact O-N 3.49Å |
| 128 | A | 82.6 | Confident | 78.3 | Confident | 30 Ų | 30 | 77.1 Ų | 77.1 | 25% | 0.248 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R124 L125 S126 Q130 Q131 H132 | R124-A128 VanDerWaalsContact O-CB 3.28Å; R124-A128 WeakPolarHBondContact O-CB 3.31Å; R124-A128 PolarHBondContact O-N 3.19Å; L125-A128 PolarHBondContact O-N 3.43Å; S126-A128 VanDerWaalsContact C-N 3.27Å; S126-A128 PolarHBondContact O-N 3.27Å; A128-Q130 PolarHBondContact O-N 3.44Å; A128-Q131 PolarHBondContact O-N 2.91Å; A128-H132 WeakPolarHBondContact O-CB 3.18Å; A128-H132 PolarHBondContact O-CD2 2.94Å; A128-H132 PolarHBondContact O-N 3.47Å |
| 129 | F | 81.6 | Confident | 80.2 | Confident | 60 Ų | 60 | 76.4 Ų | 76.4 | 26% | 0.263 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.3 | -46.5 | 174.5 | 177.2 | -90.7 | 0 | 0 | 0 | 111.6 | L29 I96 L125 S126 Q131 H132 L133 | L29-F129 HydrophobicContact CD2-CZ 4.4Å; I96-F129 HydrophobicContact CG1-CD1 4.33Å; I96-F129 HydrophobicContact CG2-CD1 3.56Å; I96-F129 HydrophobicContact CG2-CE1 3.32Å; I96-F129 HydrophobicContact CG2-CG 4.35Å; I96-F129 HydrophobicContact CG2-CZ 3.93Å; L125-F129 WeakPolarHBondContact O-CB 3.35Å; L125-F129 PolarHBondContact O-N 3.31Å; S126-F129 WeakPolarHBondContact O-CA 3Å; S126-F129 WeakPolarHBondContact O-CB 3.27Å; S126-F129 PolarHBondContact O-N 3.48Å; F129-Q131 PolarHBondContact O-N 3.49Å; F129-H132 PolarHBondContact O-N 3.35Å; F129-L133 HydrophobicContact CE1-CB 4.48Å; F129-L133 HydrophobicContact CE1-CD2 4.09Å; F129-L133 HydrophobicContact CZ-CD1 4.38Å; F129-L133 HydrophobicContact CZ-CD2 4.39Å; F129-L133 WeakPolarHBondContact O-CB 3.35Å; F129-L133 PolarHBondContact O-N 3.44Å |
| 130 | Q | 76.7 | Confident | 81.3 | Confident | 65 Ų | 65 | 78.4 Ų | 78.4 | 30% | 0.304 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -57.5 | -51.4 | 177.4 | -55 | -165.4 | -47.2 | 0 | 0 | 111.1 | E99 S126 N127 A128 H132 L133 Q134 | E99-Q130 VanDerWaalsContact CD-CG 3.49Å; E99-Q130 VanDerWaalsContact OE1-CB 3.25Å; E99-Q130 WeakPolarHBondContact OE1-CB 3.46Å; E99-Q130 WeakPolarHBondContact OE1-CG 3.29Å; E99-Q130 PolarHBondContact OE1-NE2 2.87Å; E99-Q130 WeakPolarHBondContact OE2-CG 3.41Å; E99-Q130 PolarHBondContact OE2-NE2 3.22Å; S126-Q130 VanDerWaalsContact O-CG 3.24Å; S126-Q130 WeakPolarHBondContact O-CG 3.44Å; S126-Q130 PolarHBondContact O-N 3.29Å; N127-Q130 PolarHBondContact O-N 2.92Å; A128-Q130 PolarHBondContact O-N 3.44Å; Q130-H132 VanDerWaalsContact C-N 3.33Å; Q130-H132 PolarHBondContact O-N 2.87Å; Q130-L133 PolarHBondContact O-N 3Å; Q130-Q134 VanDerWaalsContact O-CB 3.32Å; Q130-Q134 WeakPolarHBondContact O-CB 3.41Å; Q130-Q134 PolarHBondContact O-N 3.32Å |
| 131 | Q | 84 | Confident | 82.1 | Confident | 132 Ų | 132 | 79.7 Ų | 79.7 | 62% | 0.617 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -60.4 | -42.3 | 180 | -73.8 | 173.4 | 1.5 | 0 | 0 | 111.8 | N127 A128 F129 G135 | N127-Q131 WeakPolarHBondContact O-CB 3.42Å; N127-Q131 WeakPolarHBondContact O-CG 3.43Å; N127-Q131 PolarHBondContact O-N 3.49Å; A128-Q131 PolarHBondContact O-N 2.91Å; F129-Q131 PolarHBondContact O-N 3.49Å; Q131-G135 PolarHBondContact O-N 3.22Å |
| 132 | H | 87.2 | Confident | 82.9 | Confident | 139 Ų | 139 | 82.9 Ų | 82.9 | 64% | 0.644 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -67.5 | -41.2 | 177.5 | -68.5 | -32 | 0 | 0 | 0 | 112.3 | A128 F129 Q130 L136 | A128-H132 WeakPolarHBondContact O-CB 3.18Å; A128-H132 PolarHBondContact O-CD2 2.94Å; A128-H132 PolarHBondContact O-N 3.47Å; F129-H132 PolarHBondContact O-N 3.35Å; Q130-H132 VanDerWaalsContact C-N 3.33Å; Q130-H132 PolarHBondContact O-N 2.87Å; H132-L136 VanDerWaalsContact O-CB 3.24Å; H132-L136 WeakPolarHBondContact O-CB 3.49Å; H132-L136 PolarHBondContact O-N 3.03Å |
| 133 | L | 83.6 | Confident | 83.9 | Confident | 12 Ų | 12 | 87.1 Ų | 87.1 | 6% | 0.063 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -67.7 | -45.1 | 178.8 | -166.1 | 76.7 | 0 | 0 | 0 | 111.2 | L29 L100 F129 Q130 L136 F137 | L29-L133 HydrophobicContact CD2-CD1 4.5Å; L100-L133 HydrophobicContact CD1-CD2 3.76Å; F129-L133 HydrophobicContact CE1-CB 4.48Å; F129-L133 HydrophobicContact CE1-CD2 4.09Å; F129-L133 HydrophobicContact CZ-CD1 4.38Å; F129-L133 HydrophobicContact CZ-CD2 4.39Å; F129-L133 WeakPolarHBondContact O-CB 3.35Å; F129-L133 PolarHBondContact O-N 3.44Å; Q130-L133 PolarHBondContact O-N 3Å; L133-L136 PolarHBondContact O-N 3.17Å; L133-F137 HydrophobicContact CD1-CE2 4.28Å; L133-F137 HydrophobicContact CD1-CZ 4.09Å; L133-F137 HydrophobicContact CD2-CE2 3.65Å; L133-F137 HydrophobicContact CD2-CZ 4.05Å; L133-F137 HydrophobicContact CG-CD2 4.08Å; L133-F137 HydrophobicContact CG-CE2 3.56Å; L133-F137 HydrophobicContact CG-CZ 3.88Å; L133-F137 WeakPolarHBondContact O-CD2 3.08Å; L133-F137 WeakPolarHBondContact O-CG 3.5Å; L133-F137 PolarHBondContact O-N 3.01Å |
| 134 | Q | 82.6 | Confident | 84.7 | Confident | 131 Ų | 131 | 83.4 Ų | 83.4 | 61% | 0.612 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -62.1 | -44.1 | 175.5 | -173.3 | -178.5 | 12.7 | 0 | 0 | 111.6 | Q130 F137 S138 | Q130-Q134 VanDerWaalsContact O-CB 3.32Å; Q130-Q134 WeakPolarHBondContact O-CB 3.41Å; Q130-Q134 PolarHBondContact O-N 3.32Å; Q134-F137 PolarHBondContact O-N 3.01Å; Q134-S138 WeakPolarHBondContact O-CB 3.35Å; Q134-S138 PolarHBondContact O-N 3.27Å |
| 135 | G | 87.7 | Confident | 85.3 | Confident | 32 Ų | 32 | 80.2 Ų | 80.2 | 33% | 0.33 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61 | -45.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q131 S138 I139 | Q131-G135 PolarHBondContact O-N 3.22Å; G135-S138 PolarHBondContact O-N 2.87Å; G135-I139 VanDerWaalsContact O-CG1 3.28Å; G135-I139 WeakPolarHBondContact O-CG1 3.5Å; G135-I139 PolarHBondContact O-N 3.39Å |
| 136 | L | 87.7 | Confident | 86 | Confident | 65 Ų | 65 | 77.9 Ų | 77.9 | 34% | 0.34 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.2 | -46.7 | 176.1 | -177.9 | 65 | 0 | 0 | 0 | 111.6 | I25 H132 L133 S138 I139 L140 | I25-L136 HydrophobicContact CG1-CD2 4.34Å; H132-L136 VanDerWaalsContact O-CB 3.24Å; H132-L136 WeakPolarHBondContact O-CB 3.49Å; H132-L136 PolarHBondContact O-N 3.03Å; L133-L136 PolarHBondContact O-N 3.17Å; L136-S138 VanDerWaalsContact C-N 3.33Å; L136-S138 PolarHBondContact O-N 2.77Å; L136-I139 PolarHBondContact O-N 3.27Å; L136-L140 HydrophobicContact CD1-CD1 4.46Å; L136-L140 HydrophobicContact CD1-CG 4.41Å; L136-L140 HydrophobicContact CG-CD1 4.12Å; L136-L140 HydrophobicContact CG-CG 4.47Å; L136-L140 WeakPolarHBondContact O-CB 3.43Å; L136-L140 VanDerWaalsContact O-CG 3.32Å; L136-L140 WeakPolarHBondContact O-CG 3.33Å; L136-L140 PolarHBondContact O-N 3.19Å |
| 137 | F | 84.7 | Confident | 86.7 | Confident | 104 Ų | 104 | 80 Ų | 80 | 46% | 0.456 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.4 | -42 | 176.1 | -72.1 | -34.9 | 0 | 0 | 0 | 112.2 | L133 Q134 I139 L140 L141 | L133-F137 HydrophobicContact CD1-CE2 4.28Å; L133-F137 HydrophobicContact CD1-CZ 4.09Å; L133-F137 HydrophobicContact CD2-CE2 3.65Å; L133-F137 HydrophobicContact CD2-CZ 4.05Å; L133-F137 HydrophobicContact CG-CD2 4.08Å; L133-F137 HydrophobicContact CG-CE2 3.56Å; L133-F137 HydrophobicContact CG-CZ 3.88Å; L133-F137 WeakPolarHBondContact O-CD2 3.08Å; L133-F137 WeakPolarHBondContact O-CG 3.5Å; L133-F137 PolarHBondContact O-N 3.01Å; Q134-F137 PolarHBondContact O-N 3.01Å; F137-I139 PolarHBondContact O-N 2.73Å; F137-L140 PolarHBondContact O-N 2.91Å; F137-L141 WeakPolarHBondContact O-CB 3.42Å; F137-L141 PolarHBondContact O-N 3.01Å |
| 138 | S | 86.9 | Confident | 87.3 | Confident | 57 Ų | 57 | 81.5 Ų | 81.5 | 40% | 0.399 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.5 | -45.2 | 175.9 | -177.2 | 0 | 0 | 0 | 0 | 111.9 | Q134 G135 L136 L141 Q142 | Q134-S138 WeakPolarHBondContact O-CB 3.35Å; Q134-S138 PolarHBondContact O-N 3.27Å; G135-S138 PolarHBondContact O-N 2.87Å; L136-S138 VanDerWaalsContact C-N 3.33Å; L136-S138 PolarHBondContact O-N 2.77Å; S138-L141 PolarHBondContact O-N 2.97Å; S138-Q142 WeakPolarHBondContact O-CG 3.41Å; S138-Q142 PolarHBondContact O-N 3.42Å; S138-Q142 PolarHBondContact OG-NE2 3.41Å |
| 139 | I | 91.6 | Very high | 87.7 | Confident | 94 Ų | 94 | 87.5 Ų | 87.5 | 48% | 0.482 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.9 | -44.9 | 178.2 | -66.5 | 163.4 | 0 | 0 | 0 | 110.7 | G135 L136 F137 L141 Q142 L143 | G135-I139 VanDerWaalsContact O-CG1 3.28Å; G135-I139 WeakPolarHBondContact O-CG1 3.5Å; G135-I139 PolarHBondContact O-N 3.39Å; L136-I139 PolarHBondContact O-N 3.27Å; F137-I139 PolarHBondContact O-N 2.73Å; I139-L141 VanDerWaalsContact C-N 3.29Å; I139-L141 PolarHBondContact O-N 3.13Å; I139-Q142 PolarHBondContact O-N 2.99Å; I139-L143 HydrophobicContact CG2-CD1 3.85Å; I139-L143 HydrophobicContact CG2-CG 4.27Å; I139-L143 WeakPolarHBondContact O-CB 3.4Å; I139-L143 VanDerWaalsContact O-CG 3.31Å; I139-L143 WeakPolarHBondContact O-CG 3.49Å; I139-L143 PolarHBondContact O-N 3.14Å |
| 140 | L | 88.9 | Confident | 88.1 | Confident | 87 Ų | 87 | 90.6 Ų | 90.6 | 46% | 0.455 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.6 | -38.2 | 178.1 | -73.3 | 175.1 | 0 | 0 | 0 | 112 | L136 F137 T144 | L136-L140 HydrophobicContact CD1-CD1 4.46Å; L136-L140 HydrophobicContact CD1-CG 4.41Å; L136-L140 HydrophobicContact CG-CD1 4.12Å; L136-L140 HydrophobicContact CG-CG 4.47Å; L136-L140 WeakPolarHBondContact O-CB 3.43Å; L136-L140 VanDerWaalsContact O-CG 3.32Å; L136-L140 WeakPolarHBondContact O-CG 3.33Å; L136-L140 PolarHBondContact O-N 3.19Å; F137-L140 PolarHBondContact O-N 2.91Å; L140-T144 VanDerWaalsContact O-CB 3.3Å; L140-T144 WeakPolarHBondContact O-CB 3.45Å; L140-T144 PolarHBondContact O-N 3.38Å; L140-T144 PolarHBondContact O-OG1 3.32Å |
| 141 | L | 88.8 | Confident | 88.6 | Confident | 107 Ų | 107 | 90.9 Ų | 90.9 | 56% | 0.56 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.8 | -48.1 | 175.2 | -172.6 | 66.7 | 0 | 0 | 0 | 111.2 | F137 S138 I139 L143 T144 D145 | F137-L141 WeakPolarHBondContact O-CB 3.42Å; F137-L141 PolarHBondContact O-N 3.01Å; S138-L141 PolarHBondContact O-N 2.97Å; I139-L141 VanDerWaalsContact C-N 3.29Å; I139-L141 PolarHBondContact O-N 3.13Å; L141-L143 VanDerWaalsContact C-N 3.32Å; L141-L143 PolarHBondContact O-N 3.24Å; L141-T144 WeakPolarHBondContact O-CB 3.32Å; L141-T144 PolarHBondContact O-N 2.97Å; L141-T144 VanDerWaalsContact O-N 3.1Å; L141-D145 PolarHBondContact O-N 3.47Å |
| 142 | Q | 91.3 | Very high | 88.8 | Confident | 121 Ų | 121 | 90.6 Ų | 90.6 | 57% | 0.565 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -59.4 | -41.9 | 176.5 | -73.3 | 176.3 | 60.6 | 0 | 0 | 112.4 | S138 I139 T144 D145 A146 | S138-Q142 WeakPolarHBondContact O-CG 3.41Å; S138-Q142 PolarHBondContact O-N 3.42Å; S138-Q142 PolarHBondContact OG-NE2 3.41Å; I139-Q142 PolarHBondContact O-N 2.99Å; Q142-T144 VanDerWaalsContact C-N 3.32Å; Q142-D145 PolarHBondContact O-N 2.88Å; Q142-A146 WeakPolarHBondContact O-CB 3.42Å; Q142-A146 PolarHBondContact O-N 3.4Å |
| 143 | L | 90.3 | Very high | 88.7 | Confident | 108 Ų | 108 | 89.4 Ų | 89.4 | 57% | 0.565 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -66.6 | -36 | 176.2 | -72.4 | 174.2 | 0 | 0 | 0 | 111.9 | I139 L141 A146 A147 | I139-L143 HydrophobicContact CG2-CD1 3.85Å; I139-L143 HydrophobicContact CG2-CG 4.27Å; I139-L143 WeakPolarHBondContact O-CB 3.4Å; I139-L143 VanDerWaalsContact O-CG 3.31Å; I139-L143 WeakPolarHBondContact O-CG 3.49Å; I139-L143 PolarHBondContact O-N 3.14Å; L141-L143 VanDerWaalsContact C-N 3.32Å; L141-L143 PolarHBondContact O-N 3.24Å; L143-A146 PolarHBondContact O-N 2.9Å; L143-A147 VanDerWaalsContact O-CB 3.31Å; L143-A147 WeakPolarHBondContact O-CB 3.49Å; L143-A147 PolarHBondContact O-N 2.89Å |
| 144 | T | 90.3 | Very high | 88.6 | Confident | 73 Ų | 73 | 95.7 Ų | 95.7 | 45% | 0.448 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.7 | -44.3 | 175.4 | -62.3 | 0 | 0 | 0 | 0 | 110.8 | L140 L141 Q142 A147 N148 | L140-T144 VanDerWaalsContact O-CB 3.3Å; L140-T144 WeakPolarHBondContact O-CB 3.45Å; L140-T144 PolarHBondContact O-N 3.38Å; L140-T144 PolarHBondContact O-OG1 3.32Å; L141-T144 WeakPolarHBondContact O-CB 3.32Å; L141-T144 PolarHBondContact O-N 2.97Å; L141-T144 VanDerWaalsContact O-N 3.1Å; Q142-T144 VanDerWaalsContact C-N 3.32Å; T144-A147 PolarHBondContact O-N 3.45Å; T144-N148 WeakPolarHBondContact O-CB 3.3Å; T144-N148 VanDerWaalsContact O-CG 3.23Å; T144-N148 PolarHBondContact O-N 3Å; T144-N148 PolarHBondContact O-ND2 3.07Å |
| 145 | D | 92.2 | Very high | 88.8 | Confident | 93 Ų | 93 | 94.7 Ų | 94.7 | 50% | 0.497 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 174.9 | -72.6 | -21.2 | 0 | 0 | 0 | 111.6 | L141 Q142 N148 Y149 | L141-D145 PolarHBondContact O-N 3.47Å; Q142-D145 PolarHBondContact O-N 2.88Å; D145-N148 PolarHBondContact O-N 3.5Å; D145-Y149 VanDerWaalsContact O-CB 3.3Å; D145-Y149 WeakPolarHBondContact O-CB 3.49Å; D145-Y149 PolarHBondContact O-N 2.93Å |
| 146 | A | 92.5 | Very high | 88.6 | Confident | 54 Ų | 54 | 96.8 Ų | 96.8 | 45% | 0.446 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | Q142 L143 Y149 L150 | Q142-A146 WeakPolarHBondContact O-CB 3.42Å; Q142-A146 PolarHBondContact O-N 3.4Å; L143-A146 PolarHBondContact O-N 2.9Å; A146-Y149 PolarHBondContact O-N 2.84Å; A146-L150 WeakPolarHBondContact O-CB 3.24Å; A146-L150 PolarHBondContact O-N 2.82Å |
| 147 | A | 91.6 | Very high | 88.1 | Confident | 51 Ų | 51 | 97.2 Ų | 97.2 | 42% | 0.421 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L143 T144 L150 T151 | L143-A147 VanDerWaalsContact O-CB 3.31Å; L143-A147 WeakPolarHBondContact O-CB 3.49Å; L143-A147 PolarHBondContact O-N 2.89Å; T144-A147 PolarHBondContact O-N 3.45Å; A147-L150 PolarHBondContact O-N 3.44Å; A147-T151 WeakPolarHBondContact O-CB 3.36Å; A147-T151 PolarHBondContact O-N 2.89Å; A147-T151 PolarHBondContact O-OG1 2.8Å |
| 148 | N | 91 | Very high | 87.2 | Confident | 96 Ų | 96 | 97.2 Ų | 97.2 | 51% | 0.513 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65 | -43.4 | 175 | -73.3 | -31.3 | 0 | 0 | 0 | 111.5 | T144 D145 T151 K152 | T144-N148 WeakPolarHBondContact O-CB 3.3Å; T144-N148 VanDerWaalsContact O-CG 3.23Å; T144-N148 PolarHBondContact O-N 3Å; T144-N148 PolarHBondContact O-ND2 3.07Å; D145-N148 PolarHBondContact O-N 3.5Å; N148-T151 PolarHBondContact O-N 3.08Å; N148-K152 WeakPolarHBondContact O-CB 3.49Å; N148-K152 PolarHBondContact O-N 3.43Å |
| 149 | Y | 91.3 | Very high | 86 | Confident | 157 Ų | 157 | 100.1 Ų | 100.1 | 62% | 0.616 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61 | -46.4 | 175.4 | 175.1 | -97.1 | 0 | 0 | 0 | 111.5 | D145 A146 T151 K152 R153 | D145-Y149 VanDerWaalsContact O-CB 3.3Å; D145-Y149 WeakPolarHBondContact O-CB 3.49Å; D145-Y149 PolarHBondContact O-N 2.93Å; A146-Y149 PolarHBondContact O-N 2.84Å; Y149-T151 VanDerWaalsContact C-N 3.33Å; Y149-T151 PolarHBondContact O-N 3Å; Y149-K152 PolarHBondContact O-N 3.33Å; Y149-R153 WeakPolarHBondContact O-CB 3.13Å; Y149-R153 PolarHBondContact O-N 2.84Å |
| 150 | L | 89.2 | Confident | 84.4 | Confident | 124 Ų | 124 | 98.8 Ų | 98.8 | 65% | 0.649 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.6 | -44.8 | 176.4 | -176.1 | 69.2 | 0 | 0 | 0 | 111.3 | A146 A147 R153 Y154 | A146-L150 WeakPolarHBondContact O-CB 3.24Å; A146-L150 PolarHBondContact O-N 2.82Å; A147-L150 PolarHBondContact O-N 3.44Å; L150-R153 PolarHBondContact O-N 2.69Å; L150-Y154 WeakPolarHBondContact O-CB 3.3Å; L150-Y154 PolarHBondContact O-N 3.3Å |
| 151 | T | 87.8 | Confident | 83 | Confident | 72 Ų | 72 | 99 Ų | 99 | 44% | 0.442 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.5 | -46.8 | 177.5 | -57.9 | 0 | 0 | 0 | 0 | 111 | A147 N148 Y149 Y154 Q155 | A147-T151 WeakPolarHBondContact O-CB 3.36Å; A147-T151 PolarHBondContact O-N 2.89Å; A147-T151 PolarHBondContact O-OG1 2.8Å; N148-T151 PolarHBondContact O-N 3.08Å; Y149-T151 VanDerWaalsContact C-N 3.33Å; Y149-T151 PolarHBondContact O-N 3Å; T151-Y154 PolarHBondContact O-N 3.04Å; T151-Q155 WeakPolarHBondContact O-CG 3.42Å; T151-Q155 PolarHBondContact O-N 3Å |
| 152 | K | 88.2 | Confident | 81.6 | Confident | 126 Ų | 126 | 99.3 Ų | 99.3 | 55% | 0.548 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.1 | -45.9 | 177.8 | -175.7 | 178.3 | 178.8 | 179.6 | 0 | 112.1 | N148 Y149 Y154 Q155 D156 | N148-K152 WeakPolarHBondContact O-CB 3.49Å; N148-K152 PolarHBondContact O-N 3.43Å; Y149-K152 PolarHBondContact O-N 3.33Å; K152-Y154 VanDerWaalsContact C-N 3.3Å; K152-Y154 PolarHBondContact O-N 3.2Å; K152-Q155 PolarHBondContact O-N 3.28Å; K152-D156 PolarHBondContact O-N 3.1Å |
| 153 | R | 85 | Confident | 79.8 | Confident | 113 Ų | 113 | 100 Ų | 100 | 43% | 0.426 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.2 | -38.8 | -179.8 | -171.7 | 69.6 | -175.8 | 111.3 | 19.8 | 111.7 | Y149 L150 D157 | Y149-R153 WeakPolarHBondContact O-CB 3.13Å; Y149-R153 PolarHBondContact O-N 2.84Å; L150-R153 PolarHBondContact O-N 2.69Å; R153-D157 IonicContact CZ-OD1 3.08Å; R153-D157 IonicContact CZ-OD2 3.49Å; R153-D157 IonicContact NE-OD2 3.95Å; R153-D157 IonicContact NH1-OD1 3.3Å; R153-D157 PolarHBondContact NH1-OD1 2.75Å; R153-D157 IonicContact NH1-OD2 2.72Å; R153-D157 IonicContact NH2-OD1 2.92Å; R153-D157 PolarHBondContact NH2-OD1 3.35Å; R153-D157 IonicContact NH2-OD2 3.24Å; R153-D157 PolarHBondContact NH2-OD2 3.17Å; R153-D157 PolarHBondContact O-N 3.07Å; R153-D157 VanDerWaalsContact O-N 3.09Å |
| 154 | Y | 82.1 | Confident | 78.1 | Confident | 145 Ų | 145 | 99.7 Ų | 99.7 | 57% | 0.569 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63 | -47.2 | 172.9 | -173.8 | -88.8 | 0 | 0 | 0 | 111.1 | L150 T151 K152 D156 D157 F158 | L150-Y154 WeakPolarHBondContact O-CB 3.3Å; L150-Y154 PolarHBondContact O-N 3.3Å; T151-Y154 PolarHBondContact O-N 3.04Å; K152-Y154 VanDerWaalsContact C-N 3.3Å; K152-Y154 PolarHBondContact O-N 3.2Å; Y154-D156 PolarHBondContact O-N 3.11Å; Y154-D157 PolarHBondContact O-N 3.31Å; Y154-F158 AromaticContact CD1-CD2 3.83Å; Y154-F158 HydrophobicContact CD1-CD2 3.83Å; Y154-F158 AromaticContact CD1-CE2 3.99Å; Y154-F158 HydrophobicContact CD1-CE2 3.99Å; Y154-F158 HydrophobicContact CD2-CD2 4.15Å; Y154-F158 AromaticContact CD2-CE2 3.68Å; Y154-F158 HydrophobicContact CD2-CE2 3.68Å; Y154-F158 AromaticContact CE1-CD2 3.62Å; Y154-F158 HydrophobicContact CE1-CD2 3.62Å; Y154-F158 AromaticContact CE1-CE2 3.49Å; Y154-F158 HydrophobicContact CE1-CE2 3.49Å; Y154-F158 VanDerWaalsContact CE1-CE2 3.49Å; Y154-F158 HydrophobicContact CE1-CG 4.2Å; Y154-F158 AromaticContact CE1-CZ 3.96Å; Y154-F158 HydrophobicContact CE1-CZ 3.96Å; Y154-F158 AromaticContact CE2-CD2 3.98Å; Y154-F158 HydrophobicContact CE2-CD2 3.98Å; Y154-F158 AromaticContact CE2-CE2 3.16Å; Y154-F158 HydrophobicContact CE2-CE2 3.16Å; Y154-F158 AromaticContact CE2-CZ 3.73Å; Y154-F158 HydrophobicContact CE2-CZ 3.73Å; Y154-F158 HydrophobicContact CG-CD2 4.1Å; Y154-F158 HydrophobicContact CG-CE2 4.08Å; Y154-F158 AromaticContact CZ-CD2 3.71Å; Y154-F158 AromaticContact CZ-CE2 3.04Å; Y154-F158 AromaticContact CZ-CZ 3.31Å; Y154-F158 WeakPolarHBondContact O-CD2 3.24Å; Y154-F158 PolarHBondContact O-N 3.2Å; Y154-F158 VanDerWaalsContact O-N 3.09Å; Y154-F158 WeakPolarHBondContact OH-CE2 3.28Å; Y154-F158 WeakPolarHBondContact OH-CZ 3.32Å |
| 155 | Q | 85.8 | Confident | 76.5 | Confident | 109 Ų | 109 | 101.4 Ų | 101.4 | 51% | 0.509 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -59.3 | -46.9 | 176.7 | -72.1 | 169.7 | -10.1 | 0 | 0 | 112.1 | T151 K152 D157 F158 D159 | T151-Q155 WeakPolarHBondContact O-CG 3.42Å; T151-Q155 PolarHBondContact O-N 3Å; K152-Q155 PolarHBondContact O-N 3.28Å; Q155-D157 PolarHBondContact O-N 2.92Å; Q155-F158 PolarHBondContact O-N 3.41Å; Q155-D159 WeakPolarHBondContact O-CB 3.15Å; Q155-D159 PolarHBondContact O-N 3.22Å |
| 156 | D | 83.3 | Confident | 74.8 | Confident | 76 Ų | 76 | 102 Ų | 102 | 41% | 0.406 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61 | -41.7 | 179.7 | -72.2 | -14.1 | 0 | 0 | 0 | 112.4 | K152 Y154 A160 | K152-D156 PolarHBondContact O-N 3.1Å; Y154-D156 PolarHBondContact O-N 3.11Å; D156-A160 WeakPolarHBondContact O-CB 3.38Å; D156-A160 PolarHBondContact O-N 2.81Å |
| 157 | D | 78.1 | Confident | 72.7 | Confident | 74 Ų | 74 | 107.7 Ų | 107.7 | 40% | 0.396 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -71.9 | -33 | -180 | -75.4 | -16.9 | 0 | 0 | 0 | 112.1 | R153 Y154 Q155 S161 | R153-D157 IonicContact CZ-OD1 3.08Å; R153-D157 IonicContact CZ-OD2 3.49Å; R153-D157 IonicContact NE-OD2 3.95Å; R153-D157 IonicContact NH1-OD1 3.3Å; R153-D157 PolarHBondContact NH1-OD1 2.75Å; R153-D157 IonicContact NH1-OD2 2.72Å; R153-D157 IonicContact NH2-OD1 2.92Å; R153-D157 PolarHBondContact NH2-OD1 3.35Å; R153-D157 IonicContact NH2-OD2 3.24Å; R153-D157 PolarHBondContact NH2-OD2 3.17Å; R153-D157 PolarHBondContact O-N 3.07Å; R153-D157 VanDerWaalsContact O-N 3.09Å; Y154-D157 PolarHBondContact O-N 3.31Å; Q155-D157 PolarHBondContact O-N 2.92Å; D157-S161 WeakPolarHBondContact O-CB 3.06Å; D157-S161 PolarHBondContact O-N 3.3Å; D157-S161 VanDerWaalsContact O-N 3.07Å; D157-S161 PolarHBondContact O-OG 2.83Å |
| 158 | F | 66.1 | Low | 71 | Confident | 104 Ų | 104 | 117.9 Ų | 117.9 | 46% | 0.456 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -71.2 | -44.4 | 173.5 | -85.1 | -102.1 | 0 | 0 | 0 | 111.7 | Y154 Q155 A160 S161 V162 | Y154-F158 AromaticContact CD1-CD2 3.83Å; Y154-F158 HydrophobicContact CD1-CD2 3.83Å; Y154-F158 AromaticContact CD1-CE2 3.99Å; Y154-F158 HydrophobicContact CD1-CE2 3.99Å; Y154-F158 HydrophobicContact CD2-CD2 4.15Å; Y154-F158 AromaticContact CD2-CE2 3.68Å; Y154-F158 HydrophobicContact CD2-CE2 3.68Å; Y154-F158 AromaticContact CE1-CD2 3.62Å; Y154-F158 HydrophobicContact CE1-CD2 3.62Å; Y154-F158 AromaticContact CE1-CE2 3.49Å; Y154-F158 HydrophobicContact CE1-CE2 3.49Å; Y154-F158 VanDerWaalsContact CE1-CE2 3.49Å; Y154-F158 HydrophobicContact CE1-CG 4.2Å; Y154-F158 AromaticContact CE1-CZ 3.96Å; Y154-F158 HydrophobicContact CE1-CZ 3.96Å; Y154-F158 AromaticContact CE2-CD2 3.98Å; Y154-F158 HydrophobicContact CE2-CD2 3.98Å; Y154-F158 AromaticContact CE2-CE2 3.16Å; Y154-F158 HydrophobicContact CE2-CE2 3.16Å; Y154-F158 AromaticContact CE2-CZ 3.73Å; Y154-F158 HydrophobicContact CE2-CZ 3.73Å; Y154-F158 HydrophobicContact CG-CD2 4.1Å; Y154-F158 HydrophobicContact CG-CE2 4.08Å; Y154-F158 AromaticContact CZ-CD2 3.71Å; Y154-F158 AromaticContact CZ-CE2 3.04Å; Y154-F158 AromaticContact CZ-CZ 3.31Å; Y154-F158 WeakPolarHBondContact O-CD2 3.24Å; Y154-F158 PolarHBondContact O-N 3.2Å; Y154-F158 VanDerWaalsContact O-N 3.09Å; Y154-F158 WeakPolarHBondContact OH-CE2 3.28Å; Y154-F158 WeakPolarHBondContact OH-CZ 3.32Å; Q155-F158 PolarHBondContact O-N 3.41Å; F158-A160 VanDerWaalsContact C-N 3.33Å; F158-A160 PolarHBondContact O-N 2.96Å; F158-S161 PolarHBondContact O-N 3.13Å; F158-S161 PolarHBondContact O-OG 3.41Å; F158-V162 VanDerWaalsContact O-CG2 3.29Å; F158-V162 WeakPolarHBondContact O-CG2 3.37Å; F158-V162 PolarHBondContact O-N 3.05Å |
| 159 | D | 60.4 | Low | 69.9 | Low | 118 Ų | 118 | 119 Ų | 119 | 63% | 0.631 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66 | -34 | 176.6 | -77.4 | -28.8 | 0 | 0 | 0 | 112.2 | Q155 | Q155-D159 WeakPolarHBondContact O-CB 3.15Å; Q155-D159 PolarHBondContact O-N 3.22Å |
| 160 | A | 59.2 | Low | 68.8 | Low | 66 Ų | 66 | 117 Ų | 117 | 55% | 0.545 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -72.7 | -33.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D156 F158 V162 | D156-A160 WeakPolarHBondContact O-CB 3.38Å; D156-A160 PolarHBondContact O-N 2.81Å; F158-A160 VanDerWaalsContact C-N 3.33Å; F158-A160 PolarHBondContact O-N 2.96Å; A160-V162 VanDerWaalsContact C-N 3.31Å; A160-V162 PolarHBondContact O-N 2.9Å |
| 161 | S | 59.1 | Low | 67.7 | Low | 91 Ų | 91 | 116.6 Ų | 116.6 | 64% | 0.636 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -76.1 | -15.7 | 179.7 | 71.9 | 0 | 0 | 0 | 0 | 114.4 | D157 F158 | D157-S161 WeakPolarHBondContact O-CB 3.06Å; D157-S161 PolarHBondContact O-N 3.3Å; D157-S161 VanDerWaalsContact O-N 3.07Å; D157-S161 PolarHBondContact O-OG 2.83Å; F158-S161 PolarHBondContact O-N 3.13Å; F158-S161 PolarHBondContact O-OG 3.41Å |
| 162 | V | 58.3 | Low | 66.5 | Low | 114 Ų | 114 | 119.2 Ų | 119.2 | 69% | 0.691 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -10.3 | -179.2 | 173.6 | 0 | 0 | 0 | 0 | 112.4 | F158 A160 P164 | F158-V162 VanDerWaalsContact O-CG2 3.29Å; F158-V162 WeakPolarHBondContact O-CG2 3.37Å; F158-V162 PolarHBondContact O-N 3.05Å; A160-V162 VanDerWaalsContact C-N 3.31Å; A160-V162 PolarHBondContact O-N 2.9Å; V162-P164 WeakPolarHBondContact O-CD 3.36Å |
| 163 | L | 54.4 | Low | 65.2 | Low | 137 Ų | 137 | 118.8 Ų | 118.8 | 72% | 0.717 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -85.2 | 116.3 | 178.3 | -104.4 | 154.9 | 0 | 0 | 0 | 111.5 | ||
| 164 | P | 55.2 | Low | 63.8 | Low | 101 Ų | 101 | 119.2 Ų | 119.2 | 66% | 0.656 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 146.3 | 172 | 27.2 | -33 | 0 | 0 | 0 | 110.1 | V162 | V162-P164 WeakPolarHBondContact O-CD 3.36Š|
| 165 | P | 55.1 | Low | 62.5 | Low | 108 Ų | 108 | 117.4 Ų | 117.4 | 70% | 0.701 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 145.1 | 178.2 | 23.6 | -32.1 | 0 | 0 | 0 | 110.5 | L167 | P165-L167 PolarHBondContact O-N 3.06Š|
| 166 | P | 57.9 | Low | 60.7 | Low | 107 Ų | 107 | 118 Ų | 118 | 70% | 0.695 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 124 | 177.8 | 25.4 | -32.4 | 0 | 0 | 0 | 108.9 | F168 | P166-F168 HydrophobicContact CB-CD2 4.19Å; P166-F168 HydrophobicContact CB-CE2 4.49Å; P166-F168 PolarHBondContact O-N 3.23Å |
| 167 | L | 47.9 | Very low | 58.9 | Low | 172 Ų | 172 | 121.5 Ų | 121.5 | 90% | 0.901 | 68% | 0.683 | S | S | * | * | trans | -67.4 | 100 | 170.2 | -66.4 | 177.6 | 0 | 0 | 0 | 107.9 | P165 | P165-L167 PolarHBondContact O-N 3.06Š| ||
| 168 | F | 54.8 | Low | 57.1 | Low | 266 Ų | 266 | 125.8 Ų | 125.8 | 100% | 1.167 | 71% | 0.709 | S | S | * | * | trans | -127.9 | 0 | 159.7 | -80.6 | -70.9 | 0 | 0 | 0 | 109.1 | P166 | P166-F168 HydrophobicContact CB-CD2 4.19Å; P166-F168 HydrophobicContact CB-CE2 4.49Å; P166-F168 PolarHBondContact O-N 3.23Å |
Retrieved 168 of 168 residues in 255.9 ms
(Link to these results)