| 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 | 36.5 | Very low | 40.8 | Very low | 239 Ų | 239 | 144.4 Ų | 144.4 | 100% | 1.177 | 83% | 0.831 | S | S | * | * | 0 | 165 | 0 | -76.9 | 155.3 | 68 | 0 | 0 | 108.4 | |||||
| 2 | Q | 37.9 | Very low | 41.1 | Very low | 171 Ų | 171 | 137.9 Ų | 137.9 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | trans | -47.4 | 127.9 | -170.3 | -79.4 | 141.7 | -55.4 | 0 | 0 | 115.9 | ||||
| 3 | T | 44.1 | Very low | 42 | Very low | 127 Ų | 127 | 135.4 Ų | 135.4 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | 76 | 147.2 | 100.9 | 68.6 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 4 | S | 37.8 | Very low | 42.6 | Very low | 103 Ų | 103 | 130.7 Ų | 130.7 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | cis | -136 | 160.1 | 13.1 | -54.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 5 | D | 42.8 | Very low | 43.1 | Very low | 150 Ų | 150 | 130.9 Ų | 130.9 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | cis | 75.7 | 129.8 | 41.3 | -127.4 | 30.2 | 0 | 0 | 0 | 113.6 | ||||
| 6 | S | 42.5 | Very low | 44.3 | Very low | 98 Ų | 98 | 126.6 Ų | 126.6 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | cis | -174.3 | 168.9 | -14 | -119.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 7 | Q | 38.2 | Very low | 45.8 | Very low | 185 Ų | 185 | 126.1 Ų | 126.1 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | trans | 88.8 | 152.5 | 155.1 | -73.2 | -155.3 | -81.1 | 0 | 0 | 124.8 | ||||
| 8 | P | 54.6 | Low | 47.4 | Very low | 109 Ų | 109 | 127.1 Ų | 127.1 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | trans | -144.8 | 175.1 | -147.5 | 45.1 | -25.4 | 0 | 0 | 0 | 119.9 | ||||
| 9 | E | 37 | Very low | 49.1 | Very low | 202 Ų | 202 | 122.1 Ų | 122.1 | 94% | 0.944 | 71% | 0.711 | S | S | * | * | trans | -149.9 | 160.5 | 154.8 | -74.8 | -163.3 | 157.3 | 0 | 0 | 109.6 | ||||
| 10 | G | 36.2 | Very low | 50.6 | Low | 72 Ų | 72 | 120.1 Ų | 120.1 | 74% | 0.742 | 70% | 0.695 | S | S | * | * | cis | 176.6 | 34.5 | 1.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 11 | S | 41.2 | Very low | 52.1 | Low | 132 Ų | 132 | 120.4 Ų | 120.4 | 92% | 0.923 | 69% | 0.69 | S | S | * | * | trans | 77.4 | 147.9 | 178.2 | -159.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 12 | G | 44.9 | Very low | 54.4 | Low | 67 Ų | 67 | 112.1 Ų | 112.1 | 69% | 0.691 | 65% | 0.648 | S | S | * | * | trans | 176.8 | -29.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 13 | P | 52.4 | Low | 56.7 | Low | 105 Ų | 105 | 104.1 Ų | 104.1 | 68% | 0.682 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -110.9 | -7.1 | -168.3 | 38.7 | -35.1 | 0 | 0 | 0 | 116.9 | ||
| 14 | A | 50.3 | Low | 58.7 | Low | 70 Ų | 70 | 100.3 Ų | 100.3 | 58% | 0.579 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -81.5 | -30 | -165.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 15 | M | 50.9 | Low | 61.1 | Low | 134 Ų | 134 | 97.9 Ų | 97.9 | 66% | 0.66 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -76.6 | -44.6 | -167.6 | -170.6 | 170.8 | 151 | 0 | 0 | 112.8 | Q17 Q18 E19 | M15-Q17 VanDerWaalsContact C-N 3.27Å; M15-Q17 PolarHBondContact O-N 2.8Å; M15-Q18 PolarHBondContact O-N 2.84Å; M15-E19 WeakPolarHBondContact CE-OE1 3.49Å; M15-E19 PolarHBondContact O-N 3.27Å |
| 16 | T | 62.4 | Low | 63.4 | Low | 61 Ų | 61 | 93.9 Ų | 93.9 | 37% | 0.374 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62 | -32.3 | 177.8 | 43.2 | 0 | 0 | 0 | 0 | 112.9 | E19 Q20 | T16-E19 PolarHBondContact O-N 2.98Å; T16-Q20 VanDerWaalsContact O-CB 3.32Å; T16-Q20 WeakPolarHBondContact O-CB 3.46Å; T16-Q20 PolarHBondContact O-N 3.23Å |
| 17 | Q | 69 | Low | 65.6 | Low | 118 Ų | 118 | 90.1 Ų | 90.1 | 55% | 0.551 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.3 | -36.7 | 177.6 | -168.4 | 174.6 | 35 | 0 | 0 | 112.2 | M15 Q21 | M15-Q17 VanDerWaalsContact C-N 3.27Å; M15-Q17 PolarHBondContact O-N 2.8Å; Q17-Q21 WeakPolarHBondContact O-CG 3.35Å; Q17-Q21 PolarHBondContact O-N 3.47Å; Q17-Q21 VanDerWaalsContact O-N 3.14Å |
| 18 | Q | 75.4 | Confident | 68 | Low | 144 Ų | 144 | 87.6 Ų | 87.6 | 67% | 0.673 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.9 | -42.3 | 176 | -176.9 | 177.1 | -12.6 | 0 | 0 | 111.3 | M15 Q20 Q21 E22 | M15-Q18 PolarHBondContact O-N 2.84Å; Q18-Q20 VanDerWaalsContact C-N 3.34Å; Q18-Q20 PolarHBondContact O-N 3.36Å; Q18-Q21 PolarHBondContact O-N 3.2Å; Q18-E22 PolarHBondContact O-N 3.17Å |
| 19 | E | 79.3 | Confident | 69.8 | Low | 33 Ų | 33 | 87 Ų | 87 | 15% | 0.154 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -65.9 | -36.8 | 177.2 | -65.1 | 172.3 | 150.5 | 0 | 0 | 111.7 | M15 T16 Q21 E22 F23 K84 L85 | M15-E19 WeakPolarHBondContact CE-OE1 3.49Å; M15-E19 PolarHBondContact O-N 3.27Å; T16-E19 PolarHBondContact O-N 2.98Å; E19-Q21 VanDerWaalsContact C-N 3.32Å; E19-Q21 PolarHBondContact O-N 2.7Å; E19-E22 PolarHBondContact O-N 2.67Å; E19-F23 WeakPolarHBondContact O-CB 3.43Å; E19-F23 PolarHBondContact O-N 3.38Å; E19-K84 HydrophobicContact CB-CD 4.49Å; E19-K84 HydrophobicContact CG-CD 3.96Å; E19-L85 HydrophobicContact CB-CD2 3.72Å |
| 20 | Q | 78.6 | Confident | 72.3 | Confident | 82 Ų | 82 | 77.4 Ų | 77.4 | 38% | 0.383 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.1 | -33.6 | 175.4 | -166.3 | 179.7 | 26.8 | 0 | 0 | 112.1 | T16 Q18 T24 L85 L93 | T16-Q20 VanDerWaalsContact O-CB 3.32Å; T16-Q20 WeakPolarHBondContact O-CB 3.46Å; T16-Q20 PolarHBondContact O-N 3.23Å; Q18-Q20 VanDerWaalsContact C-N 3.34Å; Q18-Q20 PolarHBondContact O-N 3.36Å; Q20-T24 VanDerWaalsContact O-CB 3.3Å; Q20-T24 WeakPolarHBondContact O-CB 3.45Å; Q20-T24 PolarHBondContact O-N 3.26Å; Q20-T24 PolarHBondContact O-OG1 3.09Å; Q20-L85 HydrophobicContact CB-CD2 4.33Å; Q20-L93 VanDerWaalsContact NE2-CD1 3.33Å |
| 21 | Q | 81.4 | Confident | 74.9 | Confident | 126 Ų | 126 | 76.2 Ų | 76.2 | 59% | 0.589 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -70.6 | -43.7 | 172 | -72.7 | 173.9 | 8.7 | 0 | 0 | 111.9 | Q17 Q18 E19 T24 A25 | Q17-Q21 WeakPolarHBondContact O-CG 3.35Å; Q17-Q21 PolarHBondContact O-N 3.47Å; Q17-Q21 VanDerWaalsContact O-N 3.14Å; Q18-Q21 PolarHBondContact O-N 3.2Å; E19-Q21 VanDerWaalsContact C-N 3.32Å; E19-Q21 PolarHBondContact O-N 2.7Å; Q21-T24 PolarHBondContact O-N 3.04Å; Q21-A25 WeakPolarHBondContact O-CB 3.5Å; Q21-A25 PolarHBondContact O-N 3.49Å |
| 22 | E | 84.8 | Confident | 77.3 | Confident | 66 Ų | 66 | 72.9 Ų | 72.9 | 31% | 0.308 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.5 | -47.8 | 175.9 | -175.3 | -179.9 | -159.5 | 0 | 0 | 111.7 | Q18 E19 A25 R26 K84 | Q18-E22 PolarHBondContact O-N 3.17Å; E19-E22 PolarHBondContact O-N 2.67Å; E22-A25 PolarHBondContact O-N 3.35Å; E22-R26 WeakPolarHBondContact O-CG 3.16Å; E22-R26 PolarHBondContact O-N 3.35Å; E22-R26 IonicContact OE1-NH1 2.76Å; E22-K84 IonicContact OE1-NZ 2.67Å; E22-K84 IonicContact OE2-NZ 3.15Å; E22-K84 PolarHBondContact OE2-NZ 3Å |
| 23 | F | 87.5 | Confident | 79.6 | Confident | 3 Ų | 3 | 71.9 Ų | 71.9 | 1% | 0.013 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.9 | -43.5 | 175.3 | 174.2 | -128.7 | 0 | 0 | 0 | 112.2 | E19 A25 R26 L27 A81 A82 L85 T97 K100 L101 | E19-F23 WeakPolarHBondContact O-CB 3.43Å; E19-F23 PolarHBondContact O-N 3.38Å; F23-A25 VanDerWaalsContact C-N 3.33Å; F23-A25 PolarHBondContact O-N 3.17Å; F23-R26 PolarHBondContact O-N 3.27Å; F23-L27 HydrophobicContact CD1-CD1 4.19Å; F23-L27 HydrophobicContact CD2-CD1 4.33Å; F23-L27 HydrophobicContact CD2-CG 4.02Å; F23-L27 HydrophobicContact CE1-CD1 3.7Å; F23-L27 HydrophobicContact CE1-CG 4.39Å; F23-L27 HydrophobicContact CE2-CD1 3.83Å; F23-L27 HydrophobicContact CE2-CD2 3.73Å; F23-L27 HydrophobicContact CE2-CG 3.6Å; F23-L27 HydrophobicContact CG-CD1 4.5Å; F23-L27 HydrophobicContact CZ-CD1 3.52Å; F23-L27 HydrophobicContact CZ-CD2 3.97Å; F23-L27 HydrophobicContact CZ-CG 3.84Å; F23-L27 WeakPolarHBondContact O-CG 3.42Å; F23-L27 PolarHBondContact O-N 3.33Å; F23-A81 HydrophobicContact CB-CB 4.32Å; F23-A81 HydrophobicContact CD2-CB 4.45Å; F23-A82 HydrophobicContact CD2-CB 3.72Å; F23-A82 HydrophobicContact CE2-CB 3.5Å; F23-A82 HydrophobicContact CG-CB 4.33Å; F23-A82 HydrophobicContact CZ-CB 3.91Å; F23-L85 HydrophobicContact CB-CD1 3.65Å; F23-L85 HydrophobicContact CD1-CD1 3.42Å; F23-L85 VanDerWaalsContact CD1-CD1 3.42Å; F23-L85 HydrophobicContact CE1-CD1 4.28Å; F23-L85 HydrophobicContact CG-CD1 3.78Å; F23-T97 HydrophobicContact CD1-CG2 4.5Å; F23-T97 HydrophobicContact CE1-CG2 3.82Å; F23-T97 HydrophobicContact CZ-CG2 4.05Å; F23-K100 HydrophobicContact CE1-CB 4.46Å; F23-K100 HydrophobicContact CE1-CD 4.25Å; F23-K100 HydrophobicContact CZ-CB 4.23Å; F23-L101 HydrophobicContact CE2-CD2 3.95Å; F23-L101 HydrophobicContact CZ-CD2 4.11Å; F23-L101 HydrophobicContact CZ-CG 4.18Å |
| 24 | T | 85.6 | Confident | 81.5 | Confident | 46 Ų | 46 | 67 Ų | 67 | 28% | 0.282 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.9 | -37.2 | 179.2 | -58.3 | 0 | 0 | 0 | 0 | 111.9 | Q20 Q21 Q28 | Q20-T24 VanDerWaalsContact O-CB 3.3Å; Q20-T24 WeakPolarHBondContact O-CB 3.45Å; Q20-T24 PolarHBondContact O-N 3.26Å; Q20-T24 PolarHBondContact O-OG1 3.09Å; Q21-T24 PolarHBondContact O-N 3.04Å; T24-Q28 WeakPolarHBondContact O-CG 3.29Å; T24-Q28 PolarHBondContact O-N 3.18Å |
| 25 | A | 88.8 | Confident | 83.5 | Confident | 53 Ų | 53 | 68.1 Ų | 68.1 | 44% | 0.438 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.6 | -44.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | Q21 E22 F23 Q28 E29 | Q21-A25 WeakPolarHBondContact O-CB 3.5Å; Q21-A25 PolarHBondContact O-N 3.49Å; E22-A25 PolarHBondContact O-N 3.35Å; F23-A25 VanDerWaalsContact C-N 3.33Å; F23-A25 PolarHBondContact O-N 3.17Å; A25-Q28 PolarHBondContact O-N 2.9Å; A25-E29 WeakPolarHBondContact O-CB 3.5Å; A25-E29 PolarHBondContact O-N 3.2Å |
| 26 | R | 90.1 | Very high | 85.4 | Confident | 66 Ų | 66 | 63 Ų | 63 | 25% | 0.249 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.2 | -33.7 | 177.8 | -69.2 | -75 | 164.5 | 57.5 | 11.8 | 113.3 | E22 F23 E29 A30 A78 | E22-R26 WeakPolarHBondContact O-CG 3.16Å; E22-R26 PolarHBondContact O-N 3.35Å; E22-R26 IonicContact OE1-NH1 2.76Å; F23-R26 PolarHBondContact O-N 3.27Å; R26-E29 WeakPolarHBondContact CD-OE2 3.44Å; R26-E29 IonicContact NE-OE2 3.3Å; R26-E29 PolarHBondContact NE-OE2 3.17Å; R26-A30 WeakPolarHBondContact O-CB 3.39Å; R26-A30 PolarHBondContact O-N 3.43Å; R26-A78 HydrophobicContact CB-CB 3.95Å |
| 27 | L | 89.3 | Confident | 86.9 | Confident | 19 Ų | 19 | 60.7 Ų | 60.7 | 10% | 0.099 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.7 | -49.5 | 167.6 | -75.2 | 177.9 | 0 | 0 | 0 | 111 | F23 E29 A30 D31 K100 L104 | F23-L27 HydrophobicContact CD1-CD1 4.19Å; F23-L27 HydrophobicContact CD2-CD1 4.33Å; F23-L27 HydrophobicContact CD2-CG 4.02Å; F23-L27 HydrophobicContact CE1-CD1 3.7Å; F23-L27 HydrophobicContact CE1-CG 4.39Å; F23-L27 HydrophobicContact CE2-CD1 3.83Å; F23-L27 HydrophobicContact CE2-CD2 3.73Å; F23-L27 HydrophobicContact CE2-CG 3.6Å; F23-L27 HydrophobicContact CG-CD1 4.5Å; F23-L27 HydrophobicContact CZ-CD1 3.52Å; F23-L27 HydrophobicContact CZ-CD2 3.97Å; F23-L27 HydrophobicContact CZ-CG 3.84Å; F23-L27 WeakPolarHBondContact O-CG 3.42Å; F23-L27 PolarHBondContact O-N 3.33Å; L27-E29 VanDerWaalsContact C-N 3.29Å; L27-E29 PolarHBondContact O-N 2.96Å; L27-A30 PolarHBondContact O-N 3.28Å; L27-D31 WeakPolarHBondContact O-CB 3.39Å; L27-D31 PolarHBondContact O-N 3.22Å; L27-K100 HydrophobicContact CD1-CB 4.09Å; L27-K100 HydrophobicContact CD1-CD 3.88Å; L27-K100 HydrophobicContact CD1-CG 4.46Å; L27-L104 HydrophobicContact CD2-CB 4.24Å; L27-L104 HydrophobicContact CD2-CD1 4.04Å; L27-L104 HydrophobicContact CD2-CD2 3.9Å; L27-L104 HydrophobicContact CD2-CG 4.28Å |
| 28 | Q | 89.3 | Confident | 87.9 | Confident | 131 Ų | 131 | 57.7 Ų | 57.7 | 61% | 0.612 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63 | -34.8 | 179.5 | -73.6 | 174.3 | -7.1 | 0 | 0 | 112.8 | T24 A25 A32 | T24-Q28 WeakPolarHBondContact O-CG 3.29Å; T24-Q28 PolarHBondContact O-N 3.18Å; A25-Q28 PolarHBondContact O-N 2.9Å; Q28-A32 WeakPolarHBondContact O-CB 3.44Å; Q28-A32 PolarHBondContact O-N 3.4Å |
| 29 | E | 91.3 | Very high | 88.6 | Confident | 97 Ų | 97 | 57.4 Ų | 57.4 | 45% | 0.453 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.5 | -44.3 | 173.7 | -171.4 | 170.5 | -160.5 | 0 | 0 | 111.7 | A25 R26 L27 W33 I74 | A25-E29 WeakPolarHBondContact O-CB 3.5Å; A25-E29 PolarHBondContact O-N 3.2Å; R26-E29 WeakPolarHBondContact CD-OE2 3.44Å; R26-E29 IonicContact NE-OE2 3.3Å; R26-E29 PolarHBondContact NE-OE2 3.17Å; L27-E29 VanDerWaalsContact C-N 3.29Å; L27-E29 PolarHBondContact O-N 2.96Å; E29-W33 WeakPolarHBondContact O-CB 3.47Å; E29-W33 PolarHBondContact O-N 3.16Å; E29-I74 HydrophobicContact CB-CG2 4.4Å; E29-I74 HydrophobicContact CG-CG2 4.02Å |
| 30 | A | 90.8 | Very high | 89.2 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.008 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.3 | -48.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R26 L27 A32 W33 M34 I74 V75 L104 | R26-A30 WeakPolarHBondContact O-CB 3.39Å; R26-A30 PolarHBondContact O-N 3.43Å; L27-A30 PolarHBondContact O-N 3.28Å; A30-A32 VanDerWaalsContact C-N 3.31Å; A30-A32 PolarHBondContact O-N 3.44Å; A30-W33 PolarHBondContact O-N 3.46Å; A30-M34 WeakPolarHBondContact O-CG 3.46Å; A30-M34 PolarHBondContact O-N 3.03Å; A30-I74 HydrophobicContact CB-CG2 3.86Å; A30-V75 HydrophobicContact CB-CG2 4.33Å; A30-L104 HydrophobicContact CB-CD1 3.68Å |
| 31 | D | 90 | Very high | 89.9 | Confident | 46 Ų | 46 | 56 Ų | 56 | 25% | 0.246 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -53.7 | -45.9 | 174.3 | -91.8 | 44.6 | 0 | 0 | 0 | 111.9 | L27 K35 | L27-D31 WeakPolarHBondContact O-CB 3.39Å; L27-D31 PolarHBondContact O-N 3.22Å; D31-K35 WeakPolarHBondContact O-CB 3.47Å; D31-K35 WeakPolarHBondContact O-CD 3.46Å; D31-K35 VanDerWaalsContact O-CG 3.26Å; D31-K35 WeakPolarHBondContact O-CG 3.44Å; D31-K35 PolarHBondContact O-N 3.44Å; D31-K35 IonicContact OD2-NZ 3.73Å; D31-K35 PolarHBondContact OD2-NZ 3.25Å |
| 32 | A | 92.1 | Very high | 90.4 | Very high | 63 Ų | 63 | 55.7 Ų | 55.7 | 52% | 0.521 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -69.5 | -38.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q28 A30 G36 | Q28-A32 WeakPolarHBondContact O-CB 3.44Å; Q28-A32 PolarHBondContact O-N 3.4Å; A30-A32 VanDerWaalsContact C-N 3.31Å; A30-A32 PolarHBondContact O-N 3.44Å; A32-G36 PolarHBondContact O-N 3.44Å |
| 33 | W | 93.4 | Very high | 90.6 | Very high | 45 Ų | 45 | 56.3 Ų | 56.3 | 17% | 0.17 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.4 | -49.8 | 173.8 | -174.2 | 91.4 | 0 | 0 | 0 | 111.2 | E29 A30 K35 G36 I37 I74 W108 T111 I115 | E29-W33 WeakPolarHBondContact O-CB 3.47Å; E29-W33 PolarHBondContact O-N 3.16Å; A30-W33 PolarHBondContact O-N 3.46Å; W33-K35 PolarHBondContact O-N 3.4Å; W33-G36 PolarHBondContact O-N 3.37Å; W33-I37 HydrophobicContact CD2-CG1 3.97Å; W33-I37 HydrophobicContact CE3-CG1 4.08Å; W33-I37 HydrophobicContact CH2-CB 4.49Å; W33-I37 HydrophobicContact CH2-CG1 3.76Å; W33-I37 HydrophobicContact CZ2-CD1 4.13Å; W33-I37 HydrophobicContact CZ2-CG1 3.66Å; W33-I37 HydrophobicContact CZ3-CB 4.4Å; W33-I37 HydrophobicContact CZ3-CG1 3.95Å; W33-I37 WeakPolarHBondContact O-CG1 3.42Å; W33-I37 PolarHBondContact O-N 3.08Å; W33-I74 HydrophobicContact CB-CD1 4.14Å; W33-I74 HydrophobicContact CG-CD1 3.84Å; W33-W108 HydrophobicContact CE3-CZ3 4.34Å; W33-W108 HydrophobicContact CH2-CZ3 4.11Å; W33-W108 HydrophobicContact CZ3-CE3 4.44Å; W33-W108 HydrophobicContact CZ3-CH2 4.44Å; W33-W108 AromaticContact CZ3-CZ3 3.6Å; W33-W108 HydrophobicContact CZ3-CZ3 3.6Å; W33-T111 HydrophobicContact CZ3-CG2 4.46Å; W33-I115 HydrophobicContact CH2-CD1 4.27Å |
| 34 | M | 92.2 | Very high | 90.7 | Very high | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.6 | -45.1 | -179.3 | -68.7 | -174.7 | -59 | 0 | 0 | 111.6 | A30 G36 I37 E38 L104 Q107 W108 T111 | A30-M34 WeakPolarHBondContact O-CG 3.46Å; A30-M34 PolarHBondContact O-N 3.03Å; M34-G36 PolarHBondContact O-N 3.44Å; M34-I37 PolarHBondContact O-N 3.32Å; M34-E38 WeakPolarHBondContact O-CB 3.44Å; M34-E38 PolarHBondContact O-N 3.32Å; M34-L104 HydrophobicContact CE-CD1 3.78Å; M34-Q107 HydrophobicContact CE-CB 3.83Å; M34-Q107 HydrophobicContact SD-CB 4.19Å; M34-W108 VanDerWaalsContact SD-CA 3.58Å; M34-W108 HydrophobicContact SD-CB 4Å; M34-W108 HydrophobicContact SD-CE3 4.24Å; M34-T111 HydrophobicContact CB-CG2 4.41Å; M34-T111 HydrophobicContact CG-CG2 4.39Å |
| 35 | K | 90.8 | Very high | 90.8 | Very high | 95 Ų | 95 | 56.9 Ų | 56.9 | 41% | 0.413 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 176.8 | -72 | 161.3 | -170 | 150 | 0 | 112.5 | D31 W33 I37 E38 E39 | D31-K35 WeakPolarHBondContact O-CB 3.47Å; D31-K35 WeakPolarHBondContact O-CD 3.46Å; D31-K35 VanDerWaalsContact O-CG 3.26Å; D31-K35 WeakPolarHBondContact O-CG 3.44Å; D31-K35 PolarHBondContact O-N 3.44Å; D31-K35 IonicContact OD2-NZ 3.73Å; D31-K35 PolarHBondContact OD2-NZ 3.25Å; W33-K35 PolarHBondContact O-N 3.4Å; K35-I37 VanDerWaalsContact C-N 3.33Å; K35-I37 PolarHBondContact O-N 3.41Å; K35-E38 PolarHBondContact O-N 2.94Å; K35-E39 WeakPolarHBondContact O-CG 3.4Å; K35-E39 PolarHBondContact O-N 3.09Å |
| 36 | G | 92 | Very high | 90.8 | Very high | 26 Ų | 26 | 58.1 Ų | 58.1 | 27% | 0.268 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.1 | -37.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A32 W33 M34 Q40 | A32-G36 PolarHBondContact O-N 3.44Å; W33-G36 PolarHBondContact O-N 3.37Å; M34-G36 PolarHBondContact O-N 3.44Å; G36-Q40 WeakPolarHBondContact O-CG 3.26Å; G36-Q40 PolarHBondContact O-N 3.36Å; G36-Q40 VanDerWaalsContact O-N 3.17Å |
| 37 | I | 92.9 | Very high | 90.8 | Very high | 12 Ų | 12 | 55.9 Ų | 55.9 | 6% | 0.062 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -71.9 | -42.8 | 173.9 | -66.6 | -60.1 | 0 | 0 | 0 | 111.5 | W33 M34 K35 E39 Q40 L41 I64 T111 I115 | W33-I37 HydrophobicContact CD2-CG1 3.97Å; W33-I37 HydrophobicContact CE3-CG1 4.08Å; W33-I37 HydrophobicContact CH2-CB 4.49Å; W33-I37 HydrophobicContact CH2-CG1 3.76Å; W33-I37 HydrophobicContact CZ2-CD1 4.13Å; W33-I37 HydrophobicContact CZ2-CG1 3.66Å; W33-I37 HydrophobicContact CZ3-CB 4.4Å; W33-I37 HydrophobicContact CZ3-CG1 3.95Å; W33-I37 WeakPolarHBondContact O-CG1 3.42Å; W33-I37 PolarHBondContact O-N 3.08Å; M34-I37 PolarHBondContact O-N 3.32Å; K35-I37 VanDerWaalsContact C-N 3.33Å; K35-I37 PolarHBondContact O-N 3.41Å; I37-E39 VanDerWaalsContact C-N 3.3Å; I37-E39 PolarHBondContact O-N 3.48Å; I37-Q40 PolarHBondContact O-N 3.23Å; I37-L41 HydrophobicContact CG2-CD1 3.88Å; I37-L41 HydrophobicContact CG2-CG 4.19Å; I37-L41 WeakPolarHBondContact O-CB 3.48Å; I37-L41 VanDerWaalsContact O-CG 3.28Å; I37-L41 WeakPolarHBondContact O-CG 3.3Å; I37-L41 PolarHBondContact O-N 3.38Å; I37-I64 HydrophobicContact CD1-CG1 4.4Å; I37-I64 HydrophobicContact CD1-CG2 4.29Å; I37-I64 HydrophobicContact CG2-CG2 3.61Å; I37-T111 HydrophobicContact CG2-CG2 4.37Å; I37-I115 HydrophobicContact CG2-CD1 3.99Å; I37-I115 HydrophobicContact CG2-CG1 3.94Å |
| 38 | E | 90.1 | Very high | 90.7 | Very high | 55 Ų | 55 | 55.8 Ų | 55.8 | 26% | 0.257 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -55.9 | -42.6 | 173.2 | -86.6 | -171.2 | -120.5 | 0 | 0 | 112.5 | M34 K35 L41 K42 | M34-E38 WeakPolarHBondContact O-CB 3.44Å; M34-E38 PolarHBondContact O-N 3.32Å; K35-E38 PolarHBondContact O-N 2.94Å; E38-L41 PolarHBondContact O-N 3.5Å; E38-K42 WeakPolarHBondContact O-CB 3.35Å; E38-K42 VanDerWaalsContact O-CD 3.27Å; E38-K42 WeakPolarHBondContact O-CD 3.4Å; E38-K42 WeakPolarHBondContact O-CG 3.49Å; E38-K42 PolarHBondContact O-N 3.42Å; E38-K42 IonicContact OE2-NZ 3.58Å; E38-K42 PolarHBondContact OE2-NZ 3.4Å |
| 39 | E | 91.5 | Very high | 90.6 | Very high | 138 Ų | 138 | 50.6 Ų | 50.6 | 65% | 0.645 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -65.7 | -42.5 | 177.1 | -74.9 | 175.8 | -173 | 0 | 0 | 111.8 | K35 I37 K42 A43 | K35-E39 WeakPolarHBondContact O-CG 3.4Å; K35-E39 PolarHBondContact O-N 3.09Å; I37-E39 VanDerWaalsContact C-N 3.3Å; I37-E39 PolarHBondContact O-N 3.48Å; E39-K42 PolarHBondContact O-N 3.39Å; E39-A43 PolarHBondContact O-N 2.96Å; E39-A43 VanDerWaalsContact O-N 3.1Å |
| 40 | Q | 92.1 | Very high | 90.5 | Very high | 86 Ų | 86 | 49.3 Ų | 49.3 | 40% | 0.402 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.3 | -37.8 | 175 | -71.6 | 174.9 | 7.7 | 0 | 0 | 112.4 | G36 I37 A43 N44 I64 | G36-Q40 WeakPolarHBondContact O-CG 3.26Å; G36-Q40 PolarHBondContact O-N 3.36Å; G36-Q40 VanDerWaalsContact O-N 3.17Å; I37-Q40 PolarHBondContact O-N 3.23Å; Q40-A43 PolarHBondContact O-N 3.36Å; Q40-N44 PolarHBondContact O-N 2.96Å; Q40-N44 PolarHBondContact O-ND2 3.39Å; Q40-I64 HydrophobicContact CB-CD1 3.81Å |
| 41 | L | 92.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.9 | -52 | 172.8 | -71 | 170.5 | 0 | 0 | 0 | 110.4 | I37 E38 A43 N44 D45 T61 I64 Y114 I115 C118 | I37-L41 HydrophobicContact CG2-CD1 3.88Å; I37-L41 HydrophobicContact CG2-CG 4.19Å; I37-L41 WeakPolarHBondContact O-CB 3.48Å; I37-L41 VanDerWaalsContact O-CG 3.28Å; I37-L41 WeakPolarHBondContact O-CG 3.3Å; I37-L41 PolarHBondContact O-N 3.38Å; E38-L41 PolarHBondContact O-N 3.5Å; L41-A43 PolarHBondContact O-N 3.06Å; L41-A43 VanDerWaalsContact O-N 3.08Å; L41-N44 CarbonylContact O-C 3.57Å; L41-N44 WeakPolarHBondContact O-CA 3.42Å; L41-N44 PolarHBondContact O-N 3.48Å; L41-D45 WeakPolarHBondContact O-CB 3.41Å; L41-D45 PolarHBondContact O-N 3.25Å; L41-T61 HydrophobicContact CD2-CG2 4.37Å; L41-I64 HydrophobicContact CD2-CD1 4.15Å; L41-I64 HydrophobicContact CD2-CG2 3.97Å; L41-I64 HydrophobicContact CG-CD1 4.45Å; L41-I64 HydrophobicContact CG-CG2 4.32Å; L41-Y114 HydrophobicContact CB-CD1 3.94Å; L41-Y114 HydrophobicContact CB-CE1 3.44Å; L41-Y114 VanDerWaalsContact CB-CE1 3.44Å; L41-Y114 HydrophobicContact CD1-CD1 3.49Å; L41-Y114 VanDerWaalsContact CD1-CD1 3.49Å; L41-Y114 HydrophobicContact CD1-CE1 3.93Å; L41-Y114 HydrophobicContact CD1-CG 4.03Å; L41-Y114 HydrophobicContact CG-CD1 4.37Å; L41-Y114 HydrophobicContact CG-CE1 4.34Å; L41-I115 HydrophobicContact CD1-CB 4.44Å; L41-I115 HydrophobicContact CD1-CG1 3.73Å; L41-C118 HydrophobicContact CD2-CB 3.94Å |
| 42 | K | 90.9 | Very high | 90.4 | Very high | 120 Ų | 120 | 57.1 Ų | 57.1 | 52% | 0.522 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -56.5 | -29 | 178.9 | -71.6 | 159.5 | -164.7 | 167.7 | 0 | 113.2 | E38 E39 Y114 | E38-K42 WeakPolarHBondContact O-CB 3.35Å; E38-K42 VanDerWaalsContact O-CD 3.27Å; E38-K42 WeakPolarHBondContact O-CD 3.4Å; E38-K42 WeakPolarHBondContact O-CG 3.49Å; E38-K42 PolarHBondContact O-N 3.42Å; E38-K42 IonicContact OE2-NZ 3.58Å; E38-K42 PolarHBondContact OE2-NZ 3.4Å; E39-K42 PolarHBondContact O-N 3.39Å; K42-Y114 HydrophobicContact CG-CE1 4.16Å |
| 43 | A | 89.1 | Confident | 90.3 | Very high | 78 Ų | 78 | 55.8 Ų | 55.8 | 65% | 0.645 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -77.4 | -27.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | E39 Q40 L41 | E39-A43 PolarHBondContact O-N 2.96Å; E39-A43 VanDerWaalsContact O-N 3.1Å; Q40-A43 PolarHBondContact O-N 3.36Å; L41-A43 PolarHBondContact O-N 3.06Å; L41-A43 VanDerWaalsContact O-N 3.08Å |
| 44 | N | 89.8 | Confident | 90.3 | Very high | 26 Ų | 26 | 53.7 Ų | 53.7 | 14% | 0.139 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -99.8 | -17.9 | -179 | -75.2 | -77 | 0 | 0 | 0 | 114.3 | Q40 L41 N46 R57 T61 I122 | Q40-N44 PolarHBondContact O-N 2.96Å; Q40-N44 PolarHBondContact O-ND2 3.39Å; L41-N44 CarbonylContact O-C 3.57Å; L41-N44 WeakPolarHBondContact O-CA 3.42Å; L41-N44 PolarHBondContact O-N 3.48Å; N44-N46 PolarHBondContact O-N 3.03Å; N44-R57 HydrophobicContact CB-CB 4.41Å; N44-R57 HydrophobicContact CB-CG 4.48Å; N44-R57 WeakPolarHBondContact O-CD 3.41Å; N44-T61 HydrophobicContact CB-CG2 3.82Å; N44-I122 VanDerWaalsContact O-CD1 3.29Å; N44-I122 WeakPolarHBondContact O-CD1 3.49Å |
| 45 | D | 89.4 | Confident | 90.3 | Very high | 36 Ų | 36 | 56 Ų | 56 | 19% | 0.193 | 31% | 0.306 | C | S | . | . | trans | -75.5 | 47 | -170 | -169.7 | 37.2 | 0 | 0 | 0 | 113.9 | L41 Y114 C118 R121 | L41-D45 WeakPolarHBondContact O-CB 3.41Å; L41-D45 PolarHBondContact O-N 3.25Å; D45-Y114 WeakPolarHBondContact CB-OH 3.49Å; D45-Y114 VanDerWaalsContact OD2-CE2 3.23Å; D45-Y114 WeakPolarHBondContact OD2-CE2 3.21Å; D45-Y114 PolarHBondContact OD2-OH 3.25Å; D45-C118 PolarHBondContact OD1-SG 3.28Å; D45-C118 VanDerWaalsContact OD1-SG 3.36Å; D45-R121 PolarHBondContact O-NH2 3.03Å; D45-R121 VanDerWaalsContact O-NH2 3.11Å; D45-R121 IonicContact OD1-CZ 3.44Å; D45-R121 IonicContact OD1-NE 3.9Å; D45-R121 IonicContact OD1-NH2 3.8Å; D45-R121 PolarHBondContact OD1-NH2 3.4Å; D45-R121 IonicContact OD2-NH2 2.64Å; D45-R121 PolarHBondContact OD2-NH2 3.38Å; D45-R121 VanDerWaalsContact OD2-NH2 3.17Å | ||
| 46 | N | 88.5 | Confident | 90.4 | Very high | 78 Ų | 78 | 54.1 Ų | 54.1 | 42% | 0.417 | 31% | 0.309 | S | S | . | . | trans | -133.1 | 134.1 | -178.5 | -179.7 | 8.1 | 0 | 0 | 0 | 109.2 | N44 A48 R57 | N44-N46 PolarHBondContact O-N 3.03Å; N46-A48 WeakPolarHBondContact OD1-CB 3.36Å; N46-A48 PolarHBondContact OD1-N 3.21Å; N46-R57 WeakPolarHBondContact O-CD 3.34Å; N46-R57 PolarHBondContact O-NH1 2.8Å | ||
| 47 | T | 88.9 | Confident | 90.5 | Very high | 19 Ų | 19 | 55 Ų | 55 | 12% | 0.117 | 30% | 0.304 | C | S | . | . | trans | -98.5 | -8.1 | 178.1 | 51.9 | 0 | 0 | 0 | 0 | 113.8 | R121 V125 R197 | T47-R121 HydrophobicContact CG2-CG 4.38Å; T47-V125 HydrophobicContact CG2-CB 4.29Å; T47-V125 HydrophobicContact CG2-CG2 3.85Å; T47-R197 CarbonylContact C-O 3.58Å; T47-R197 WeakPolarHBondContact CB-O 3.46Å; T47-R197 PolarHBondContact OG1-O 3.48Å | ||
| 48 | A | 88.5 | Confident | 90.6 | Very high | 18 Ų | 18 | 55.4 Ų | 55.4 | 15% | 0.149 | 31% | 0.306 | C | S | . | . | trans | -82 | 144 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | N46 R57 I198 E199 | N46-A48 WeakPolarHBondContact OD1-CB 3.36Å; N46-A48 PolarHBondContact OD1-N 3.21Å; A48-R57 VanDerWaalsContact O-CZ 3.31Å; A48-R57 PolarHBondContact O-NH1 3.31Å; A48-R57 PolarHBondContact O-NH2 2.84Å; A48-I198 CarbonylContact C-O 3.52Å; A48-I198 WeakPolarHBondContact CA-O 3.45Å; A48-E199 HydrophobicContact CB-CG 4.42Å | ||
| 49 | G | 86.6 | Confident | 90.8 | Very high | 21 Ų | 21 | 60.3 Ų | 60.3 | 22% | 0.216 | 32% | 0.322 | C | S | . | . | S | Bend | trans | 110.4 | -179.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | I198 | G49-I198 PolarHBondContact N-O 3.12Š|
| 50 | P | 89.1 | Confident | 90.8 | Very high | 70 Ų | 70 | 56.3 Ų | 56.3 | 46% | 0.455 | 30% | 0.304 | S | S | . | . | trans | -67.6 | 154.9 | -173.1 | 27.5 | -35.8 | 0 | 0 | 0 | 113.2 | D52 A53 L54 D200 | P50-D52 VanDerWaalsContact C-N 3.28Å; P50-D52 PolarHBondContact O-N 3.09Å; P50-A53 HydrophobicContact CG-CB 4.15Å; P50-A53 WeakPolarHBondContact O-CA 3.32Å; P50-A53 WeakPolarHBondContact O-CB 3.46Å; P50-A53 PolarHBondContact O-N 3.08Å; P50-L54 PolarHBondContact O-N 3.28Å; P50-L54 VanDerWaalsContact O-N 3.09Å; P50-D200 VanDerWaalsContact CA-OD2 3.25Å; P50-D200 WeakPolarHBondContact CA-OD2 3.3Å | ||
| 51 | R | 88.7 | Confident | 90.9 | Very high | 79 Ų | 79 | 52.2 Ų | 52.2 | 30% | 0.298 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -52.8 | -41.2 | -173.9 | -169.2 | 176.6 | 177.2 | -156.8 | 1.5 | 113.4 | A53 L54 E55 W129 S130 | R51-A53 VanDerWaalsContact C-N 3.28Å; R51-A53 PolarHBondContact O-N 3.05Å; R51-L54 WeakPolarHBondContact O-CB 3.45Å; R51-L54 PolarHBondContact O-N 3.41Å; R51-L54 VanDerWaalsContact O-N 3.16Å; R51-E55 PolarHBondContact O-N 3.49Å; R51-W129 VanDerWaalsContact CA-CZ3 3.43Å; R51-W129 HydrophobicContact CB-CD2 4.34Å; R51-W129 HydrophobicContact CB-CE3 3.99Å; R51-W129 HydrophobicContact CB-CH2 3.78Å; R51-W129 HydrophobicContact CB-CZ2 4.1Å; R51-W129 HydrophobicContact CB-CZ3 3.71Å; R51-W129 HydrophobicContact CG-CD2 4.34Å; R51-W129 HydrophobicContact CG-CE3 4.1Å; R51-W129 HydrophobicContact CG-CZ3 4.32Å; R51-S130 PolarHBondContact NH2-OG 3.23Å |
| 52 | D | 89.4 | Confident | 91 | Very high | 133 Ų | 133 | 56.7 Ų | 56.7 | 71% | 0.711 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -60.4 | -36.7 | 177.3 | -56.6 | -9.4 | 0 | 0 | 0 | 112.4 | P50 A56 | P50-D52 VanDerWaalsContact C-N 3.28Å; P50-D52 PolarHBondContact O-N 3.09Å; D52-A56 WeakPolarHBondContact O-CB 3.36Å; D52-A56 PolarHBondContact O-N 3.31Å |
| 53 | A | 90.8 | Very high | 91.2 | Very high | 34 Ų | 34 | 56.8 Ų | 56.8 | 28% | 0.281 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -76.1 | -34.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | P50 R51 R57 | P50-A53 HydrophobicContact CG-CB 4.15Å; P50-A53 WeakPolarHBondContact O-CA 3.32Å; P50-A53 WeakPolarHBondContact O-CB 3.46Å; P50-A53 PolarHBondContact O-N 3.08Å; R51-A53 VanDerWaalsContact C-N 3.28Å; R51-A53 PolarHBondContact O-N 3.05Å; A53-R57 WeakPolarHBondContact O-CG 3.39Å; A53-R57 PolarHBondContact O-N 3.22Å |
| 54 | L | 91.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.8 | -42.2 | 172.1 | -172 | 69 | 0 | 0 | 0 | 111.2 | P50 R51 R57 L58 I122 V125 W126 W129 | P50-L54 PolarHBondContact O-N 3.28Å; P50-L54 VanDerWaalsContact O-N 3.09Å; R51-L54 WeakPolarHBondContact O-CB 3.45Å; R51-L54 PolarHBondContact O-N 3.41Å; R51-L54 VanDerWaalsContact O-N 3.16Å; L54-R57 PolarHBondContact O-N 3.28Å; L54-L58 PolarHBondContact O-N 3.18Å; L54-I122 HydrophobicContact CD1-CG2 3.91Å; L54-I122 HydrophobicContact CG-CG2 4.34Å; L54-V125 HydrophobicContact CD2-CB 4.31Å; L54-V125 HydrophobicContact CD2-CG1 3.83Å; L54-W126 HydrophobicContact CD2-CB 3.87Å; L54-W126 HydrophobicContact CG-CB 4.28Å; L54-W129 HydrophobicContact CD2-CE3 3.96Å; L54-W129 HydrophobicContact CD2-CZ3 4.31Å |
| 55 | E | 93.1 | Very high | 91.4 | Very high | 50 Ų | 50 | 55.3 Ų | 55.3 | 23% | 0.234 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.7 | -36.4 | 176.4 | -163.8 | 176.5 | 135.9 | 0 | 0 | 112.3 | R51 R57 L58 R59 W126 | R51-E55 PolarHBondContact O-N 3.49Å; E55-R57 PolarHBondContact O-N 3.05Å; E55-L58 WeakPolarHBondContact O-CB 3.29Å; E55-L58 PolarHBondContact O-N 3.33Å; E55-R59 WeakPolarHBondContact O-CG 3.13Å; E55-R59 PolarHBondContact O-N 2.99Å; E55-R59 IonicContact OE1-CZ 2.74Å; E55-R59 IonicContact OE1-NE 2.83Å; E55-R59 PolarHBondContact OE1-NE 3.21Å; E55-R59 IonicContact OE1-NH2 2.6Å; E55-R59 PolarHBondContact OE1-NH2 3.14Å; E55-W126 HydrophobicContact CG-CZ2 4.44Å; E55-W126 PolarHBondContact OE2-NE1 3.12Å; E55-W126 VanDerWaalsContact OE2-NE1 3.09Å |
| 56 | A | 93.3 | Very high | 91.5 | Very high | 57 Ų | 57 | 58.6 Ų | 58.6 | 47% | 0.471 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D52 R59 E60 | D52-A56 WeakPolarHBondContact O-CB 3.36Å; D52-A56 PolarHBondContact O-N 3.31Å; A56-R59 PolarHBondContact O-N 3.35Å; A56-E60 PolarHBondContact O-N 2.87Å; A56-E60 VanDerWaalsContact O-N 3.14Å |
| 57 | R | 94 | Very high | 91.6 | Very high | 44 Ų | 44 | 56.5 Ų | 56.5 | 17% | 0.166 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.1 | -36.1 | 173.9 | -64.6 | 170.9 | -157.5 | 155 | 8.5 | 112 | N44 N46 A48 A53 L54 E55 E60 T61 I122 | N44-R57 HydrophobicContact CB-CB 4.41Å; N44-R57 HydrophobicContact CB-CG 4.48Å; N44-R57 WeakPolarHBondContact O-CD 3.41Å; N46-R57 WeakPolarHBondContact O-CD 3.34Å; N46-R57 PolarHBondContact O-NH1 2.8Å; A48-R57 VanDerWaalsContact O-CZ 3.31Å; A48-R57 PolarHBondContact O-NH1 3.31Å; A48-R57 PolarHBondContact O-NH2 2.84Å; A53-R57 WeakPolarHBondContact O-CG 3.39Å; A53-R57 PolarHBondContact O-N 3.22Å; L54-R57 PolarHBondContact O-N 3.28Å; E55-R57 PolarHBondContact O-N 3.05Å; R57-E60 PolarHBondContact O-N 3.23Å; R57-T61 WeakPolarHBondContact O-CB 3.39Å; R57-T61 WeakPolarHBondContact O-CG2 3.48Å; R57-T61 PolarHBondContact O-N 3.31Å; R57-T61 PolarHBondContact O-OG1 2.9Å; R57-I122 HydrophobicContact CB-CD1 4.37Å; R57-I122 HydrophobicContact CB-CG2 4.46Å |
| 58 | L | 94.3 | Very high | 91.6 | Very high | 21 Ų | 21 | 56.8 Ų | 56.8 | 11% | 0.11 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.1 | -49.7 | 174.8 | -178.1 | 53.4 | 0 | 0 | 0 | 110.9 | L54 E55 E60 T61 E62 I122 E123 W126 | L54-L58 PolarHBondContact O-N 3.18Å; E55-L58 WeakPolarHBondContact O-CB 3.29Å; E55-L58 PolarHBondContact O-N 3.33Å; L58-E60 PolarHBondContact O-N 3.42Å; L58-T61 PolarHBondContact O-N 3.42Å; L58-T61 PolarHBondContact O-OG1 3.04Å; L58-E62 VanDerWaalsContact O-CB 3.3Å; L58-E62 WeakPolarHBondContact O-CB 3.44Å; L58-E62 PolarHBondContact O-N 2.68Å; L58-I122 HydrophobicContact CB-CG2 3.86Å; L58-I122 HydrophobicContact CD1-CG2 4.25Å; L58-E123 HydrophobicContact CD1-CB 3.76Å; L58-E123 HydrophobicContact CD1-CG 4.38Å; L58-W126 HydrophobicContact CD2-CB 4.09Å; L58-W126 HydrophobicContact CD2-CD2 3.96Å; L58-W126 HydrophobicContact CD2-CE3 4.1Å; L58-W126 HydrophobicContact CD2-CG 3.95Å |
| 59 | R | 94.1 | Very high | 91.6 | Very high | 158 Ų | 158 | 62.3 Ų | 62.3 | 60% | 0.596 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -63.1 | -37.3 | 178.7 | -66.1 | 170.8 | -174.7 | -160 | 4.3 | 113.1 | E55 A56 K63 | E55-R59 WeakPolarHBondContact O-CG 3.13Å; E55-R59 PolarHBondContact O-N 2.99Å; E55-R59 IonicContact OE1-CZ 2.74Å; E55-R59 IonicContact OE1-NE 2.83Å; E55-R59 PolarHBondContact OE1-NE 3.21Å; E55-R59 IonicContact OE1-NH2 2.6Å; E55-R59 PolarHBondContact OE1-NH2 3.14Å; A56-R59 PolarHBondContact O-N 3.35Å; R59-K63 WeakPolarHBondContact O-CB 3.3Å; R59-K63 PolarHBondContact O-N 3.31Å |
| 60 | E | 93.1 | Very high | 91.8 | Very high | 54 Ų | 54 | 65.4 Ų | 65.4 | 25% | 0.252 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -73.4 | -38.1 | 177.2 | -172.3 | 58.8 | -153 | 0 | 0 | 111.9 | A56 R57 L58 K63 I64 | A56-E60 PolarHBondContact O-N 2.87Å; A56-E60 VanDerWaalsContact O-N 3.14Å; R57-E60 PolarHBondContact O-N 3.23Å; L58-E60 PolarHBondContact O-N 3.42Å; E60-K63 WeakPolarHBondContact O-CB 3.43Å; E60-K63 PolarHBondContact O-N 2.89Å; E60-K63 IonicContact OE1-NZ 2.87Å; E60-K63 PolarHBondContact OE1-NZ 3.37Å; E60-K63 IonicContact OE2-NZ 3.21Å; E60-K63 PolarHBondContact OE2-NZ 3Å; E60-I64 WeakPolarHBondContact O-CG1 3.39Å; E60-I64 PolarHBondContact O-N 3.43Å |
| 61 | T | 93.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -71.2 | -32.4 | 173.3 | 54.6 | 0 | 0 | 0 | 0 | 113.1 | L41 N44 R57 L58 I64 H65 H119 I122 | L41-T61 HydrophobicContact CD2-CG2 4.37Å; N44-T61 HydrophobicContact CB-CG2 3.82Å; R57-T61 WeakPolarHBondContact O-CB 3.39Å; R57-T61 WeakPolarHBondContact O-CG2 3.48Å; R57-T61 PolarHBondContact O-N 3.31Å; R57-T61 PolarHBondContact O-OG1 2.9Å; L58-T61 PolarHBondContact O-N 3.42Å; L58-T61 PolarHBondContact O-OG1 3.04Å; T61-I64 PolarHBondContact O-N 3.17Å; T61-H65 VanDerWaalsContact O-CB 3.3Å; T61-H65 WeakPolarHBondContact O-CB 3.39Å; T61-H65 PolarHBondContact O-N 3.1Å; T61-H119 PolarHBondContact OG1-ND1 2.74Å; T61-I122 HydrophobicContact CG2-CD1 3.91Å |
| 62 | E | 94.1 | Very high | 91.9 | Very high | 94 Ų | 94 | 63.5 Ų | 63.5 | 44% | 0.439 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 169.8 | -167.9 | -160.7 | 161.9 | 0 | 0 | 110.8 | L58 I64 H65 N66 H119 | L58-E62 VanDerWaalsContact O-CB 3.3Å; L58-E62 WeakPolarHBondContact O-CB 3.44Å; L58-E62 PolarHBondContact O-N 2.68Å; E62-I64 PolarHBondContact O-N 3.04Å; E62-H65 PolarHBondContact O-N 3.36Å; E62-N66 WeakPolarHBondContact O-CB 3.44Å; E62-N66 VanDerWaalsContact O-CG 3.26Å; E62-N66 PolarHBondContact O-N 3.24Å; E62-N66 PolarHBondContact O-ND2 3.03Å; E62-H119 PolarHBondContact N-ND1 3.01Å |
| 63 | K | 93.9 | Very high | 92 | Very high | 122 Ų | 122 | 61.6 Ų | 61.6 | 53% | 0.53 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 174 | 163.9 | 168.6 | 160.2 | -97.2 | 0 | 112.2 | R59 E60 S67 | R59-K63 WeakPolarHBondContact O-CB 3.3Å; R59-K63 PolarHBondContact O-N 3.31Å; E60-K63 WeakPolarHBondContact O-CB 3.43Å; E60-K63 PolarHBondContact O-N 2.89Å; E60-K63 IonicContact OE1-NZ 2.87Å; E60-K63 PolarHBondContact OE1-NZ 3.37Å; E60-K63 IonicContact OE2-NZ 3.21Å; E60-K63 PolarHBondContact OE2-NZ 3Å; K63-S67 WeakPolarHBondContact O-CB 3.39Å; K63-S67 PolarHBondContact O-N 3.37Å |
| 64 | I | 91.6 | Very high | 92 | Very high | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.015 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.1 | -47.5 | 172.2 | -70.4 | 164.5 | 0 | 0 | 0 | 110.8 | I37 Q40 L41 E60 T61 E62 N66 S67 S68 I115 | I37-I64 HydrophobicContact CD1-CG1 4.4Å; I37-I64 HydrophobicContact CD1-CG2 4.29Å; I37-I64 HydrophobicContact CG2-CG2 3.61Å; Q40-I64 HydrophobicContact CB-CD1 3.81Å; L41-I64 HydrophobicContact CD2-CD1 4.15Å; L41-I64 HydrophobicContact CD2-CG2 3.97Å; L41-I64 HydrophobicContact CG-CD1 4.45Å; L41-I64 HydrophobicContact CG-CG2 4.32Å; E60-I64 WeakPolarHBondContact O-CG1 3.39Å; E60-I64 PolarHBondContact O-N 3.43Å; T61-I64 PolarHBondContact O-N 3.17Å; E62-I64 PolarHBondContact O-N 3.04Å; I64-N66 PolarHBondContact O-N 3.06Å; I64-S67 WeakPolarHBondContact O-CA 3.48Å; I64-S67 WeakPolarHBondContact O-CB 3.37Å; I64-S67 PolarHBondContact O-N 3.36Å; I64-S67 PolarHBondContact O-OG 3.45Å; I64-S68 PolarHBondContact O-N 2.93Å; I64-I115 HydrophobicContact CG2-CD1 4.44Å; I64-I115 HydrophobicContact CG2-CG1 3.99Å; I64-I115 HydrophobicContact CG2-CG2 4.26Å |
| 65 | H | 92.1 | Very high | 92 | Very high | 69 Ų | 69 | 61 Ų | 61 | 32% | 0.319 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.7 | -47.2 | 178.4 | 179.5 | -94.8 | 0 | 0 | 0 | 112 | T61 E62 S67 S68 I115 H119 | T61-H65 VanDerWaalsContact O-CB 3.3Å; T61-H65 WeakPolarHBondContact O-CB 3.39Å; T61-H65 PolarHBondContact O-N 3.1Å; E62-H65 PolarHBondContact O-N 3.36Å; H65-S67 PolarHBondContact O-N 3.01Å; H65-S68 WeakPolarHBondContact O-CB 3.43Å; H65-S68 PolarHBondContact O-N 3.31Å; H65-I115 HydrophobicContact CB-CG2 3.97Å; H65-H119 AromaticContact CG-CD2 3.94Å |
| 66 | N | 91.6 | Very high | 91.9 | Very high | 106 Ų | 106 | 62 Ų | 62 | 57% | 0.567 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -64 | -28.2 | 175 | -70.1 | -29.6 | 0 | 0 | 0 | 112.6 | E62 I64 S68 | E62-N66 WeakPolarHBondContact O-CB 3.44Å; E62-N66 VanDerWaalsContact O-CG 3.26Å; E62-N66 PolarHBondContact O-N 3.24Å; E62-N66 PolarHBondContact O-ND2 3.03Å; I64-N66 PolarHBondContact O-N 3.06Å; N66-S68 VanDerWaalsContact C-N 3.27Å; N66-S68 PolarHBondContact O-N 2.78Å |
| 67 | S | 91.3 | Very high | 91.8 | Very high | 34 Ų | 34 | 63 Ų | 63 | 24% | 0.238 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -74.8 | -10.3 | 172.9 | 85 | 0 | 0 | 0 | 0 | 114.4 | K63 I64 H65 H69 N70 G71 | K63-S67 WeakPolarHBondContact O-CB 3.39Å; K63-S67 PolarHBondContact O-N 3.37Å; I64-S67 WeakPolarHBondContact O-CA 3.48Å; I64-S67 WeakPolarHBondContact O-CB 3.37Å; I64-S67 PolarHBondContact O-N 3.36Å; I64-S67 PolarHBondContact O-OG 3.45Å; H65-S67 PolarHBondContact O-N 3.01Å; S67-H69 PolarHBondContact O-N 2.78Å; S67-N70 WeakPolarHBondContact O-CA 3.38Å; S67-N70 WeakPolarHBondContact O-CB 3.18Å; S67-N70 PolarHBondContact O-N 3.06Å; S67-G71 PolarHBondContact O-N 3.41Å |
| 68 | S | 89.3 | Confident | 91.6 | Very high | 25 Ų | 25 | 60.9 Ų | 60.9 | 18% | 0.175 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.1 | -32.5 | -179 | -176.5 | 0 | 0 | 0 | 0 | 113.1 | I64 H65 N66 N70 G71 R72 W108 | I64-S68 PolarHBondContact O-N 2.93Å; H65-S68 WeakPolarHBondContact O-CB 3.43Å; H65-S68 PolarHBondContact O-N 3.31Å; N66-S68 VanDerWaalsContact C-N 3.27Å; N66-S68 PolarHBondContact O-N 2.78Å; S68-N70 VanDerWaalsContact C-N 3.31Å; S68-N70 PolarHBondContact O-N 3.49Å; S68-G71 PolarHBondContact O-N 3.07Å; S68-R72 WeakPolarHBondContact O-CB 3.44Å; S68-R72 PolarHBondContact O-N 3.47Å; S68-W108 WeakPolarHBondContact O-CH2 3.49Å |
| 69 | H | 87.6 | Confident | 91.3 | Very high | 133 Ų | 133 | 61.9 Ų | 61.9 | 62% | 0.616 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.8 | -37.8 | 173.5 | -178.4 | 48.7 | 0 | 0 | 0 | 112.6 | S67 R72 M73 | S67-H69 PolarHBondContact O-N 2.78Å; H69-R72 PolarHBondContact O-N 3.49Å; H69-M73 WeakPolarHBondContact O-CG 3.46Å; H69-M73 PolarHBondContact O-N 2.77Å |
| 70 | N | 90.3 | Very high | 91 | Very high | 87 Ų | 87 | 60.1 Ų | 60.1 | 47% | 0.465 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -68.1 | -42.9 | 175.6 | -177.5 | 91.2 | 0 | 0 | 0 | 111.3 | S67 S68 R72 M73 I74 | S67-N70 WeakPolarHBondContact O-CA 3.38Å; S67-N70 WeakPolarHBondContact O-CB 3.18Å; S67-N70 PolarHBondContact O-N 3.06Å; S68-N70 VanDerWaalsContact C-N 3.31Å; S68-N70 PolarHBondContact O-N 3.49Å; N70-R72 VanDerWaalsContact C-N 3.32Å; N70-R72 PolarHBondContact O-N 2.81Å; N70-M73 PolarHBondContact O-N 2.66Å; N70-I74 WeakPolarHBondContact ND2-CD1 3.49Å; N70-I74 WeakPolarHBondContact O-CG1 3.41Å; N70-I74 PolarHBondContact O-N 3.32Å |
| 71 | G | 89.8 | Confident | 90.7 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.3 | -45.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S67 S68 M73 I74 V75 | S67-G71 PolarHBondContact O-N 3.41Å; S68-G71 PolarHBondContact O-N 3.07Å; G71-M73 VanDerWaalsContact C-N 3.35Å; G71-M73 PolarHBondContact O-N 3.36Å; G71-I74 PolarHBondContact O-N 3.42Å; G71-I74 VanDerWaalsContact O-N 3.12Å; G71-V75 PolarHBondContact O-N 3.28Å |
| 72 | R | 90.9 | Very high | 90.4 | Very high | 109 Ų | 109 | 57.8 Ų | 57.8 | 41% | 0.411 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.6 | -43.3 | 174.7 | -175 | 169.6 | -68.3 | -81.5 | 2.3 | 111.7 | S68 H69 N70 I74 V75 D76 W108 | S68-R72 WeakPolarHBondContact O-CB 3.44Å; S68-R72 PolarHBondContact O-N 3.47Å; H69-R72 PolarHBondContact O-N 3.49Å; N70-R72 VanDerWaalsContact C-N 3.32Å; N70-R72 PolarHBondContact O-N 2.81Å; R72-I74 VanDerWaalsContact C-N 3.31Å; R72-I74 PolarHBondContact O-N 3.47Å; R72-V75 PolarHBondContact O-N 3.33Å; R72-D76 WeakPolarHBondContact CG-OD2 3.33Å; R72-D76 WeakPolarHBondContact O-CB 3.48Å; R72-D76 VanDerWaalsContact O-CG 3.25Å; R72-D76 PolarHBondContact O-N 3.39Å; R72-W108 HydrophobicContact CB-CH2 3.91Å; R72-W108 HydrophobicContact CB-CZ2 3.68Å; R72-W108 HydrophobicContact CG-CZ2 4.33Å; R72-W108 VanDerWaalsContact NH2-NE1 3.19Å |
| 73 | M | 92.2 | Very high | 89.9 | Confident | 92 Ų | 92 | 58 Ų | 58 | 45% | 0.453 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63 | -32 | 174.9 | -75.6 | -168.5 | 70.9 | 0 | 0 | 113.8 | H69 N70 G71 Q77 | H69-M73 WeakPolarHBondContact O-CG 3.46Å; H69-M73 PolarHBondContact O-N 2.77Å; N70-M73 PolarHBondContact O-N 2.66Å; G71-M73 VanDerWaalsContact C-N 3.35Å; G71-M73 PolarHBondContact O-N 3.36Å; M73-Q77 WeakPolarHBondContact O-CB 3.47Å; M73-Q77 VanDerWaalsContact O-CG 3.24Å; M73-Q77 WeakPolarHBondContact O-CG 3.42Å; M73-Q77 PolarHBondContact O-N 3.38Å; M73-Q77 VanDerWaalsContact O-N 3.07Å; M73-Q77 PolarHBondContact O-NE2 3.27Å; M73-Q77 VanDerWaalsContact O-NE2 3.13Å |
| 74 | I | 90.8 | Very high | 89.4 | Confident | 18 Ų | 18 | 56 Ų | 56 | 9% | 0.092 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71.1 | -44.7 | 174.9 | -63.9 | 164.5 | 0 | 0 | 0 | 109.9 | E29 A30 W33 N70 G71 R72 Q77 A78 | E29-I74 HydrophobicContact CB-CG2 4.4Å; E29-I74 HydrophobicContact CG-CG2 4.02Å; A30-I74 HydrophobicContact CB-CG2 3.86Å; W33-I74 HydrophobicContact CB-CD1 4.14Å; W33-I74 HydrophobicContact CG-CD1 3.84Å; N70-I74 WeakPolarHBondContact ND2-CD1 3.49Å; N70-I74 WeakPolarHBondContact O-CG1 3.41Å; N70-I74 PolarHBondContact O-N 3.32Å; G71-I74 PolarHBondContact O-N 3.42Å; G71-I74 VanDerWaalsContact O-N 3.12Å; R72-I74 VanDerWaalsContact C-N 3.31Å; R72-I74 PolarHBondContact O-N 3.47Å; I74-Q77 PolarHBondContact O-N 3.35Å; I74-A78 PolarHBondContact O-N 3.02Å; I74-A78 VanDerWaalsContact O-N 3.09Å |
| 75 | V | 91.2 | Very high | 88.9 | Confident | 5 Ų | 5 | 55.9 Ų | 55.9 | 3% | 0.03 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.9 | -48.8 | 174.6 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | A30 G71 R72 Q77 A78 L79 L104 W108 | A30-V75 HydrophobicContact CB-CG2 4.33Å; G71-V75 PolarHBondContact O-N 3.28Å; R72-V75 PolarHBondContact O-N 3.33Å; V75-Q77 VanDerWaalsContact C-N 3.28Å; V75-Q77 PolarHBondContact O-N 3.16Å; V75-A78 CarbonylContact O-C 3.57Å; V75-A78 WeakPolarHBondContact O-CA 3.45Å; V75-A78 WeakPolarHBondContact O-CB 3.24Å; V75-A78 PolarHBondContact O-N 3.02Å; V75-L79 HydrophobicContact CG1-CG 4.44Å; V75-L79 WeakPolarHBondContact O-CG 3.35Å; V75-L79 PolarHBondContact O-N 3.17Å; V75-L104 HydrophobicContact CG1-CD2 4.01Å; V75-L104 HydrophobicContact CG1-CG 4.4Å; V75-W108 HydrophobicContact CB-CD2 4.46Å; V75-W108 HydrophobicContact CB-CE3 4.49Å; V75-W108 HydrophobicContact CG1-CB 4.41Å; V75-W108 HydrophobicContact CG1-CG 4.29Å; V75-W108 HydrophobicContact CG2-CB 4.14Å; V75-W108 HydrophobicContact CG2-CD2 3.9Å; V75-W108 HydrophobicContact CG2-CE3 3.6Å; V75-W108 HydrophobicContact CG2-CG 4.1Å; V75-W108 HydrophobicContact CG2-CZ3 4.46Å |
| 76 | D | 91.4 | Very high | 88.4 | Confident | 70 Ų | 70 | 55.2 Ų | 55.2 | 37% | 0.374 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60 | -36.7 | 178 | -71 | -27.7 | 0 | 0 | 0 | 111.7 | R72 A78 L79 M80 | R72-D76 WeakPolarHBondContact CG-OD2 3.33Å; R72-D76 WeakPolarHBondContact O-CB 3.48Å; R72-D76 VanDerWaalsContact O-CG 3.25Å; R72-D76 PolarHBondContact O-N 3.39Å; D76-A78 VanDerWaalsContact C-N 3.34Å; D76-A78 PolarHBondContact O-N 3.39Å; D76-L79 WeakPolarHBondContact O-CB 3.47Å; D76-L79 PolarHBondContact O-N 3.14Å; D76-M80 WeakPolarHBondContact O-CG 3.49Å; D76-M80 PolarHBondContact O-N 2.64Å |
| 77 | Q | 90.8 | Very high | 87.9 | Confident | 78 Ų | 78 | 57.4 Ų | 57.4 | 36% | 0.364 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.6 | -35 | 171.7 | -79.3 | 174.1 | 70.4 | 0 | 0 | 113.2 | M73 I74 V75 A81 | M73-Q77 WeakPolarHBondContact O-CB 3.47Å; M73-Q77 VanDerWaalsContact O-CG 3.24Å; M73-Q77 WeakPolarHBondContact O-CG 3.42Å; M73-Q77 PolarHBondContact O-N 3.38Å; M73-Q77 VanDerWaalsContact O-N 3.07Å; M73-Q77 PolarHBondContact O-NE2 3.27Å; M73-Q77 VanDerWaalsContact O-NE2 3.13Å; I74-Q77 PolarHBondContact O-N 3.35Å; V75-Q77 VanDerWaalsContact C-N 3.28Å; V75-Q77 PolarHBondContact O-N 3.16Å; Q77-A81 WeakPolarHBondContact O-CB 3.49Å; Q77-A81 PolarHBondContact O-N 2.91Å |
| 78 | A | 88.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70.2 | -35.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R26 I74 V75 D76 A82 L104 | R26-A78 HydrophobicContact CB-CB 3.95Å; I74-A78 PolarHBondContact O-N 3.02Å; I74-A78 VanDerWaalsContact O-N 3.09Å; V75-A78 CarbonylContact O-C 3.57Å; V75-A78 WeakPolarHBondContact O-CA 3.45Å; V75-A78 WeakPolarHBondContact O-CB 3.24Å; V75-A78 PolarHBondContact O-N 3.02Å; D76-A78 VanDerWaalsContact C-N 3.34Å; D76-A78 PolarHBondContact O-N 3.39Å; A78-A82 WeakPolarHBondContact O-CB 3.5Å; A78-A82 PolarHBondContact O-N 3.34Å; A78-A82 VanDerWaalsContact O-N 3.12Å; A78-L104 HydrophobicContact CB-CD2 3.8Å |
| 79 | L | 89.1 | Confident | 85.6 | Confident | 43 Ų | 43 | 60.4 Ų | 60.4 | 23% | 0.225 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.8 | -48.9 | 172 | -55.8 | -171 | 0 | 0 | 0 | 111.2 | V75 D76 A81 A82 E83 L101 L104 K105 | V75-L79 HydrophobicContact CG1-CG 4.44Å; V75-L79 WeakPolarHBondContact O-CG 3.35Å; V75-L79 PolarHBondContact O-N 3.17Å; D76-L79 WeakPolarHBondContact O-CB 3.47Å; D76-L79 PolarHBondContact O-N 3.14Å; L79-A81 PolarHBondContact O-N 3.04Å; L79-A82 WeakPolarHBondContact O-CB 3.23Å; L79-A82 PolarHBondContact O-N 3.32Å; L79-E83 PolarHBondContact O-N 3.31Å; L79-E83 VanDerWaalsContact O-N 3.16Å; L79-L101 HydrophobicContact CD2-CD2 3.63Å; L79-L104 HydrophobicContact CD2-CD2 4.42Å; L79-K105 VanDerWaalsContact CD2-CE 3.41Å; L79-K105 HydrophobicContact CD2-CG 4.41Å |
| 80 | M | 88 | Confident | 85 | Confident | 121 Ų | 121 | 57.8 Ų | 57.8 | 60% | 0.596 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -64.2 | -37.9 | 178.4 | -68.4 | -58.6 | -54.6 | 0 | 0 | 112.6 | D76 A82 E83 | D76-M80 WeakPolarHBondContact O-CG 3.49Å; D76-M80 PolarHBondContact O-N 2.64Å; M80-A82 VanDerWaalsContact C-N 3.29Å; M80-A82 PolarHBondContact O-N 3.03Å; M80-E83 PolarHBondContact O-N 3.09Å |
| 81 | A | 86.4 | Confident | 84.5 | Confident | 4 Ų | 4 | 59.2 Ų | 59.2 | 3% | 0.033 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.3 | -35.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | F23 Q77 L79 | F23-A81 HydrophobicContact CB-CB 4.32Å; F23-A81 HydrophobicContact CD2-CB 4.45Å; Q77-A81 WeakPolarHBondContact O-CB 3.49Å; Q77-A81 PolarHBondContact O-N 2.91Å; L79-A81 PolarHBondContact O-N 3.04Å |
| 82 | A | 86.6 | Confident | 84 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -73.3 | -26.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | F23 A78 L79 M80 K84 L85 L86 T97 L101 | F23-A82 HydrophobicContact CD2-CB 3.72Å; F23-A82 HydrophobicContact CE2-CB 3.5Å; F23-A82 HydrophobicContact CG-CB 4.33Å; F23-A82 HydrophobicContact CZ-CB 3.91Å; A78-A82 WeakPolarHBondContact O-CB 3.5Å; A78-A82 PolarHBondContact O-N 3.34Å; A78-A82 VanDerWaalsContact O-N 3.12Å; L79-A82 WeakPolarHBondContact O-CB 3.23Å; L79-A82 PolarHBondContact O-N 3.32Å; M80-A82 VanDerWaalsContact C-N 3.29Å; M80-A82 PolarHBondContact O-N 3.03Å; A82-K84 PolarHBondContact O-N 2.94Å; A82-L85 WeakPolarHBondContact O-CA 3.07Å; A82-L85 WeakPolarHBondContact O-CB 3.32Å; A82-L85 PolarHBondContact O-N 3.4Å; A82-L86 WeakPolarHBondContact O-CG 3.48Å; A82-L86 PolarHBondContact O-N 3.06Å; A82-T97 HydrophobicContact CB-CG2 3.86Å; A82-L101 HydrophobicContact CB-CD1 3.72Å; A82-L101 HydrophobicContact CB-CD2 3.64Å; A82-L101 HydrophobicContact CB-CG 3.97Å |
| 83 | E | 85.3 | Confident | 83.5 | Confident | 98 Ų | 98 | 63.1 Ų | 63.1 | 46% | 0.458 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.5 | -34.7 | -178.9 | -167.6 | 172.6 | -141.9 | 0 | 0 | 112 | L79 M80 L86 Q87 | L79-E83 PolarHBondContact O-N 3.31Å; L79-E83 VanDerWaalsContact O-N 3.16Å; M80-E83 PolarHBondContact O-N 3.09Å; E83-L86 PolarHBondContact O-N 2.79Å; E83-Q87 WeakPolarHBondContact O-CG 3.4Å; E83-Q87 PolarHBondContact O-N 3.01Å |
| 84 | K | 82 | Confident | 83 | Confident | 80 Ų | 80 | 62.6 Ų | 62.6 | 35% | 0.348 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57.2 | -48.2 | 170.7 | -54 | 179.3 | -172 | 177 | 0 | 111.9 | E19 E22 A82 L86 Q87 | E19-K84 HydrophobicContact CB-CD 4.49Å; E19-K84 HydrophobicContact CG-CD 3.96Å; E22-K84 IonicContact OE1-NZ 2.67Å; E22-K84 IonicContact OE2-NZ 3.15Å; E22-K84 PolarHBondContact OE2-NZ 3Å; A82-K84 PolarHBondContact O-N 2.94Å; K84-L86 VanDerWaalsContact C-N 3.35Å; K84-L86 PolarHBondContact O-N 3.23Å; K84-Q87 PolarHBondContact O-N 3.33Å |
| 85 | L | 81.3 | Confident | 82.7 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.8 | -33.8 | -178.8 | -58.7 | 176.7 | 0 | 0 | 0 | 112.1 | E19 Q20 F23 A82 Q87 S88 L93 T97 | E19-L85 HydrophobicContact CB-CD2 3.72Å; Q20-L85 HydrophobicContact CB-CD2 4.33Å; F23-L85 HydrophobicContact CB-CD1 3.65Å; F23-L85 HydrophobicContact CD1-CD1 3.42Å; F23-L85 VanDerWaalsContact CD1-CD1 3.42Å; F23-L85 HydrophobicContact CE1-CD1 4.28Å; F23-L85 HydrophobicContact CG-CD1 3.78Å; A82-L85 WeakPolarHBondContact O-CA 3.07Å; A82-L85 WeakPolarHBondContact O-CB 3.32Å; A82-L85 PolarHBondContact O-N 3.4Å; L85-Q87 PolarHBondContact O-N 2.87Å; L85-S88 WeakPolarHBondContact O-CB 3.42Å; L85-S88 PolarHBondContact O-N 2.89Å; L85-S88 PolarHBondContact O-OG 3.38Å; L85-L93 HydrophobicContact CD2-CD2 4.36Å; L85-T97 HydrophobicContact CB-CG2 4.25Å; L85-T97 HydrophobicContact CD1-CG2 4.49Å |
| 86 | L | 82.3 | Confident | 82.5 | Confident | 55 Ų | 55 | 68.3 Ų | 68.3 | 29% | 0.288 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -69.9 | -19.3 | 176 | -65.7 | 178.3 | 0 | 0 | 0 | 113.4 | A82 E83 K84 R94 T97 L101 | A82-L86 WeakPolarHBondContact O-CG 3.48Å; A82-L86 PolarHBondContact O-N 3.06Å; E83-L86 PolarHBondContact O-N 2.79Å; K84-L86 VanDerWaalsContact C-N 3.35Å; K84-L86 PolarHBondContact O-N 3.23Å; L86-R94 HydrophobicContact CD2-CG 3.73Å; L86-T97 HydrophobicContact CD2-CG2 3.85Å; L86-T97 HydrophobicContact CG-CG2 4.12Å; L86-L101 HydrophobicContact CD1-CD1 3.86Å |
| 87 | Q | 80.3 | Confident | 82.2 | Confident | 152 Ų | 152 | 65.2 Ų | 65.2 | 71% | 0.71 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -4.4 | 173.1 | -67.3 | 173.1 | 29.4 | 0 | 0 | 113.4 | E83 K84 L85 | E83-Q87 WeakPolarHBondContact O-CG 3.4Å; E83-Q87 PolarHBondContact O-N 3.01Å; K84-Q87 PolarHBondContact O-N 3.33Å; L85-Q87 PolarHBondContact O-N 2.87Å |
| 88 | S | 70.2 | Confident | 82 | Confident | 28 Ų | 28 | 65 Ų | 65 | 20% | 0.196 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -72.1 | 154.5 | 176.7 | 73.7 | 0 | 0 | 0 | 0 | 112.7 | L85 D90 | L85-S88 WeakPolarHBondContact O-CB 3.42Å; L85-S88 PolarHBondContact O-N 2.89Å; L85-S88 PolarHBondContact O-OG 3.38Å; S88-D90 PolarHBondContact O-N 3.48Å |
| 89 | G | 62 | Low | 82 | Confident | 94 Ų | 94 | 70 Ų | 70 | 97% | 0.969 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -78.1 | 10.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 90 | D | 76 | Confident | 82 | Confident | 78 Ų | 78 | 71.8 Ų | 71.8 | 42% | 0.417 | 38% | 0.384 | S | S | . | . | trans | -104.6 | 110.8 | -175.5 | -179.3 | -19.3 | 0 | 0 | 0 | 110.3 | S88 E92 L93 R94 | S88-D90 PolarHBondContact O-N 3.48Å; D90-E92 VanDerWaalsContact C-N 3.34Å; D90-E92 PolarHBondContact O-N 2.87Å; D90-E92 WeakPolarHBondContact OD1-CA 3.04Å; D90-E92 PolarHBondContact OD1-N 2.93Å; D90-L93 HydrophobicContact CB-CB 3.85Å; D90-L93 VanDerWaalsContact CG-CB 3.48Å; D90-L93 PolarHBondContact OD1-N 2.98Å; D90-R94 WeakPolarHBondContact O-CB 3.35Å; D90-R94 PolarHBondContact O-N 2.97Å | ||
| 91 | E | 79.1 | Confident | 82.1 | Confident | 118 Ų | 118 | 66.7 Ų | 66.7 | 55% | 0.551 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -67.5 | -30.8 | 179.6 | -65.7 | -140.7 | 121.4 | 0 | 0 | 113.4 | R94 N95 | E91-R94 VanDerWaalsContact CD-NH2 3.33Å; E91-R94 IonicContact OE1-CZ 3.71Å; E91-R94 VanDerWaalsContact OE1-CZ 3.3Å; E91-R94 IonicContact OE1-NH1 2.69Å; E91-R94 PolarHBondContact OE1-NH1 3.13Å; E91-R94 VanDerWaalsContact OE1-NH1 3.15Å; E91-R94 IonicContact OE1-NH2 3.33Å; E91-R94 PolarHBondContact OE1-NH2 3.27Å; E91-N95 WeakPolarHBondContact O-CB 3.32Å; E91-N95 PolarHBondContact O-N 3.46Å; E91-N95 PolarHBondContact O-ND2 2.96Å; E91-N95 VanDerWaalsContact O-ND2 3.13Å; E91-N95 PolarHBondContact O-OD1 3.42Å |
| 92 | E | 79 | Confident | 82.2 | Confident | 164 Ų | 164 | 73.3 Ų | 73.3 | 77% | 0.766 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -76.2 | -42.8 | -177.3 | -166.5 | 165.9 | -123.3 | 0 | 0 | 110.5 | D90 N95 S96 | D90-E92 VanDerWaalsContact C-N 3.34Å; D90-E92 PolarHBondContact O-N 2.87Å; D90-E92 WeakPolarHBondContact OD1-CA 3.04Å; D90-E92 PolarHBondContact OD1-N 2.93Å; E92-N95 PolarHBondContact O-N 3.19Å; E92-S96 WeakPolarHBondContact O-CB 3.31Å; E92-S96 PolarHBondContact O-N 3.2Å |
| 93 | L | 81.6 | Confident | 82.5 | Confident | 27 Ų | 27 | 77.9 Ų | 77.9 | 14% | 0.141 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -59.9 | -46.5 | 170 | -170.2 | 79.9 | 0 | 0 | 0 | 111.6 | Q20 L85 D90 S96 T97 | Q20-L93 VanDerWaalsContact NE2-CD1 3.33Å; L85-L93 HydrophobicContact CD2-CD2 4.36Å; D90-L93 HydrophobicContact CB-CB 3.85Å; D90-L93 VanDerWaalsContact CG-CB 3.48Å; D90-L93 PolarHBondContact OD1-N 2.98Å; L93-S96 PolarHBondContact O-N 3.26Å; L93-T97 WeakPolarHBondContact O-CB 3.44Å; L93-T97 PolarHBondContact O-N 3.27Å; L93-T97 PolarHBondContact O-OG1 2.99Å |
| 94 | R | 81.9 | Confident | 82.8 | Confident | 81 Ų | 81 | 73.3 Ų | 73.3 | 31% | 0.306 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.5 | -42.2 | 178.5 | -172 | -167 | 70 | -164.5 | -6.5 | 111.6 | L86 D90 E91 T97 N98 | L86-R94 HydrophobicContact CD2-CG 3.73Å; D90-R94 WeakPolarHBondContact O-CB 3.35Å; D90-R94 PolarHBondContact O-N 2.97Å; E91-R94 VanDerWaalsContact CD-NH2 3.33Å; E91-R94 IonicContact OE1-CZ 3.71Å; E91-R94 VanDerWaalsContact OE1-CZ 3.3Å; E91-R94 IonicContact OE1-NH1 2.69Å; E91-R94 PolarHBondContact OE1-NH1 3.13Å; E91-R94 VanDerWaalsContact OE1-NH1 3.15Å; E91-R94 IonicContact OE1-NH2 3.33Å; E91-R94 PolarHBondContact OE1-NH2 3.27Å; R94-T97 PolarHBondContact O-N 2.88Å; R94-N98 WeakPolarHBondContact O-CB 3.45Å; R94-N98 PolarHBondContact O-N 3.11Å; R94-N98 PolarHBondContact O-ND2 3.27Å; R94-N98 VanDerWaalsContact O-ND2 3.13Å |
| 95 | N | 84.4 | Confident | 83.2 | Confident | 82 Ų | 82 | 74.1 Ų | 74.1 | 44% | 0.439 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -68.1 | -43.4 | 177.6 | -69.4 | -15.3 | 0 | 0 | 0 | 111.6 | E91 E92 T97 N98 V99 | E91-N95 WeakPolarHBondContact O-CB 3.32Å; E91-N95 PolarHBondContact O-N 3.46Å; E91-N95 PolarHBondContact O-ND2 2.96Å; E91-N95 VanDerWaalsContact O-ND2 3.13Å; E91-N95 PolarHBondContact O-OD1 3.42Å; E92-N95 PolarHBondContact O-N 3.19Å; N95-T97 VanDerWaalsContact C-N 3.32Å; N95-T97 PolarHBondContact O-N 2.97Å; N95-N98 PolarHBondContact O-N 3.45Å; N95-V99 WeakPolarHBondContact O-CG2 3.34Å; N95-V99 PolarHBondContact O-N 3.47Å |
| 96 | S | 85.5 | Confident | 83.8 | Confident | 60 Ų | 60 | 77.1 Ų | 77.1 | 42% | 0.42 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.6 | -41.8 | 174 | -169.2 | 0 | 0 | 0 | 0 | 112.1 | E92 L93 V99 K100 | E92-S96 WeakPolarHBondContact O-CB 3.31Å; E92-S96 PolarHBondContact O-N 3.2Å; L93-S96 PolarHBondContact O-N 3.26Å; S96-V99 PolarHBondContact O-N 3.35Å; S96-K100 WeakPolarHBondContact O-CG 3.44Å; S96-K100 PolarHBondContact O-N 3.35Å; S96-K100 VanDerWaalsContact O-N 3.16Å |
| 97 | T | 85 | Confident | 84.2 | Confident | 5 Ų | 5 | 76.6 Ų | 76.6 | 3% | 0.031 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -63.3 | -46.8 | 176.3 | -59 | 0 | 0 | 0 | 0 | 111.3 | F23 A82 L85 L86 L93 R94 N95 V99 K100 L101 | F23-T97 HydrophobicContact CD1-CG2 4.5Å; F23-T97 HydrophobicContact CE1-CG2 3.82Å; F23-T97 HydrophobicContact CZ-CG2 4.05Å; A82-T97 HydrophobicContact CB-CG2 3.86Å; L85-T97 HydrophobicContact CB-CG2 4.25Å; L85-T97 HydrophobicContact CD1-CG2 4.49Å; L86-T97 HydrophobicContact CD2-CG2 3.85Å; L86-T97 HydrophobicContact CG-CG2 4.12Å; L93-T97 WeakPolarHBondContact O-CB 3.44Å; L93-T97 PolarHBondContact O-N 3.27Å; L93-T97 PolarHBondContact O-OG1 2.99Å; R94-T97 PolarHBondContact O-N 2.88Å; N95-T97 VanDerWaalsContact C-N 3.32Å; N95-T97 PolarHBondContact O-N 2.97Å; T97-V99 VanDerWaalsContact C-N 3.34Å; T97-V99 PolarHBondContact O-N 3.32Å; T97-K100 PolarHBondContact O-N 3.13Å; T97-L101 HydrophobicContact CG2-CD1 4.08Å; T97-L101 HydrophobicContact CG2-CG 4.37Å; T97-L101 WeakPolarHBondContact O-CB 3.18Å; T97-L101 WeakPolarHBondContact O-CG 3.09Å; T97-L101 PolarHBondContact O-N 3.01Å |
| 98 | N | 87.3 | Confident | 84.8 | Confident | 73 Ų | 73 | 69.6 Ų | 69.6 | 39% | 0.39 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.9 | -37.5 | 176.7 | -82.2 | -45.2 | 0 | 0 | 0 | 113.5 | R94 N95 L101 K102 | R94-N98 WeakPolarHBondContact O-CB 3.45Å; R94-N98 PolarHBondContact O-N 3.11Å; R94-N98 PolarHBondContact O-ND2 3.27Å; R94-N98 VanDerWaalsContact O-ND2 3.13Å; N95-N98 PolarHBondContact O-N 3.45Å; N98-L101 PolarHBondContact O-N 3.37Å; N98-K102 WeakPolarHBondContact O-CB 3.48Å; N98-K102 PolarHBondContact O-N 3.03Å |
| 99 | V | 89.5 | Confident | 85.9 | Confident | 105 Ų | 105 | 72.5 Ų | 72.5 | 64% | 0.636 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.9 | -48 | 174.8 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | N95 S96 T97 L101 K102 E103 | N95-V99 WeakPolarHBondContact O-CG2 3.34Å; N95-V99 PolarHBondContact O-N 3.47Å; S96-V99 PolarHBondContact O-N 3.35Å; T97-V99 VanDerWaalsContact C-N 3.34Å; T97-V99 PolarHBondContact O-N 3.32Å; V99-L101 VanDerWaalsContact C-N 3.35Å; V99-L101 PolarHBondContact O-N 3.44Å; V99-K102 PolarHBondContact O-N 2.98Å; V99-E103 PolarHBondContact O-N 3.37Å |
| 100 | K | 88.3 | Confident | 87.4 | Confident | 82 Ų | 82 | 74.5 Ų | 74.5 | 36% | 0.357 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.4 | -39.4 | 177.3 | -68.7 | 175.7 | 179.9 | -177.8 | 0 | 112.7 | F23 L27 S96 T97 E103 L104 | F23-K100 HydrophobicContact CE1-CB 4.46Å; F23-K100 HydrophobicContact CE1-CD 4.25Å; F23-K100 HydrophobicContact CZ-CB 4.23Å; L27-K100 HydrophobicContact CD1-CB 4.09Å; L27-K100 HydrophobicContact CD1-CD 3.88Å; L27-K100 HydrophobicContact CD1-CG 4.46Å; S96-K100 WeakPolarHBondContact O-CG 3.44Å; S96-K100 PolarHBondContact O-N 3.35Å; S96-K100 VanDerWaalsContact O-N 3.16Å; T97-K100 PolarHBondContact O-N 3.13Å; K100-E103 PolarHBondContact O-N 3.37Å; K100-L104 WeakPolarHBondContact O-CB 3.37Å; K100-L104 PolarHBondContact O-N 3.18Å |
| 101 | L | 89.4 | Confident | 88.2 | Confident | 14 Ų | 14 | 71 Ų | 71 | 7% | 0.073 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.9 | -36.3 | 175.5 | -74.8 | 176.2 | 0 | 0 | 0 | 113 | F23 L79 A82 L86 T97 N98 V99 K105 | F23-L101 HydrophobicContact CE2-CD2 3.95Å; F23-L101 HydrophobicContact CZ-CD2 4.11Å; F23-L101 HydrophobicContact CZ-CG 4.18Å; L79-L101 HydrophobicContact CD2-CD2 3.63Å; A82-L101 HydrophobicContact CB-CD1 3.72Å; A82-L101 HydrophobicContact CB-CD2 3.64Å; A82-L101 HydrophobicContact CB-CG 3.97Å; L86-L101 HydrophobicContact CD1-CD1 3.86Å; T97-L101 HydrophobicContact CG2-CD1 4.08Å; T97-L101 HydrophobicContact CG2-CG 4.37Å; T97-L101 WeakPolarHBondContact O-CB 3.18Å; T97-L101 WeakPolarHBondContact O-CG 3.09Å; T97-L101 PolarHBondContact O-N 3.01Å; N98-L101 PolarHBondContact O-N 3.37Å; V99-L101 VanDerWaalsContact C-N 3.35Å; V99-L101 PolarHBondContact O-N 3.44Å; L101-K105 WeakPolarHBondContact O-CB 3.43Å; L101-K105 VanDerWaalsContact O-CG 3.26Å; L101-K105 WeakPolarHBondContact O-CG 3.2Å; L101-K105 PolarHBondContact O-N 3.21Å; L101-K105 VanDerWaalsContact O-N 3.14Å |
| 102 | K | 90.2 | Very high | 88.8 | Confident | 142 Ų | 142 | 66.2 Ų | 66.2 | 62% | 0.617 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -68.2 | -44.5 | 174.7 | -172.7 | -177.4 | 178.5 | -171.8 | 0 | 110.8 | N98 V99 K105 N106 | N98-K102 WeakPolarHBondContact O-CB 3.48Å; N98-K102 PolarHBondContact O-N 3.03Å; V99-K102 PolarHBondContact O-N 2.98Å; K102-K105 PolarHBondContact O-N 3.45Å; K102-N106 VanDerWaalsContact O-CG 3.23Å; K102-N106 PolarHBondContact O-N 3.37Å; K102-N106 PolarHBondContact O-OD1 3.17Å |
| 103 | E | 91.7 | Very high | 89.5 | Confident | 97 Ų | 97 | 62.9 Ų | 62.9 | 45% | 0.453 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.5 | -48.1 | 177.4 | -173.4 | 59.1 | -158.9 | 0 | 0 | 111.6 | V99 K100 K105 N106 Q107 | V99-E103 PolarHBondContact O-N 3.37Å; K100-E103 PolarHBondContact O-N 3.37Å; E103-K105 VanDerWaalsContact C-N 3.3Å; E103-K105 PolarHBondContact O-N 3.02Å; E103-N106 PolarHBondContact O-N 3.36Å; E103-Q107 WeakPolarHBondContact O-CG 3.4Å; E103-Q107 PolarHBondContact O-N 2.93Å; E103-Q107 PolarHBondContact OE1-NE2 3.25Å |
| 104 | L | 91.8 | Very high | 90.2 | Very high | 2 Ų | 2 | 64.1 Ų | 64.1 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.1 | -42.2 | 175.2 | -174 | 77.9 | 0 | 0 | 0 | 112.2 | L27 A30 M34 V75 A78 L79 K100 W108 | L27-L104 HydrophobicContact CD2-CB 4.24Å; L27-L104 HydrophobicContact CD2-CD1 4.04Å; L27-L104 HydrophobicContact CD2-CD2 3.9Å; L27-L104 HydrophobicContact CD2-CG 4.28Å; A30-L104 HydrophobicContact CB-CD1 3.68Å; M34-L104 HydrophobicContact CE-CD1 3.78Å; V75-L104 HydrophobicContact CG1-CD2 4.01Å; V75-L104 HydrophobicContact CG1-CG 4.4Å; A78-L104 HydrophobicContact CB-CD2 3.8Å; L79-L104 HydrophobicContact CD2-CD2 4.42Å; K100-L104 WeakPolarHBondContact O-CB 3.37Å; K100-L104 PolarHBondContact O-N 3.18Å; L104-W108 VanDerWaalsContact O-CB 3.25Å; L104-W108 WeakPolarHBondContact O-CB 3.31Å; L104-W108 PolarHBondContact O-N 3.14Å |
| 105 | K | 90.8 | Very high | 90.7 | Very high | 96 Ų | 96 | 60.3 Ų | 60.3 | 42% | 0.417 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.3 | -42.9 | 178.1 | -75.5 | 175.5 | -177.9 | -174.4 | 0 | 112.2 | L79 L101 K102 E103 W108 D109 | L79-K105 VanDerWaalsContact CD2-CE 3.41Å; L79-K105 HydrophobicContact CD2-CG 4.41Å; L101-K105 WeakPolarHBondContact O-CB 3.43Å; L101-K105 VanDerWaalsContact O-CG 3.26Å; L101-K105 WeakPolarHBondContact O-CG 3.2Å; L101-K105 PolarHBondContact O-N 3.21Å; L101-K105 VanDerWaalsContact O-N 3.14Å; K102-K105 PolarHBondContact O-N 3.45Å; E103-K105 VanDerWaalsContact C-N 3.3Å; E103-K105 PolarHBondContact O-N 3.02Å; K105-W108 PolarHBondContact O-N 3.09Å; K105-D109 WeakPolarHBondContact O-CB 3.28Å; K105-D109 PolarHBondContact O-N 3.36Å |
| 106 | N | 93.3 | Very high | 91.1 | Very high | 64 Ų | 64 | 59.8 Ų | 59.8 | 34% | 0.342 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.6 | -52.2 | 173.8 | -64.7 | -12.3 | 0 | 0 | 0 | 110.5 | K102 E103 W108 D109 E110 | K102-N106 VanDerWaalsContact O-CG 3.23Å; K102-N106 PolarHBondContact O-N 3.37Å; K102-N106 PolarHBondContact O-OD1 3.17Å; E103-N106 PolarHBondContact O-N 3.36Å; N106-W108 VanDerWaalsContact C-N 3.3Å; N106-W108 PolarHBondContact O-N 3.11Å; N106-D109 PolarHBondContact O-N 3.24Å; N106-E110 WeakPolarHBondContact O-CB 3.21Å; N106-E110 WeakPolarHBondContact O-CG 3.49Å; N106-E110 PolarHBondContact O-N 3.1Å |
| 107 | Q | 91.3 | Very high | 91.5 | Very high | 44 Ų | 44 | 62.3 Ų | 62.3 | 21% | 0.206 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.2 | -36.6 | 179.9 | -68.9 | 179.3 | 18.3 | 0 | 0 | 112.2 | M34 E103 T111 | M34-Q107 HydrophobicContact CE-CB 3.83Å; M34-Q107 HydrophobicContact SD-CB 4.19Å; E103-Q107 WeakPolarHBondContact O-CG 3.4Å; E103-Q107 PolarHBondContact O-N 2.93Å; E103-Q107 PolarHBondContact OE1-NE2 3.25Å; Q107-T111 WeakPolarHBondContact O-CB 3.39Å; Q107-T111 PolarHBondContact O-N 3.2Å; Q107-T111 PolarHBondContact O-OG1 3.17Å |
| 108 | W | 93.3 | Very high | 91.9 | Very high | 5 Ų | 5 | 62 Ų | 62 | 2% | 0.019 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.3 | -43.3 | 174 | 170 | -95.3 | 0 | 0 | 0 | 112.7 | W33 M34 S68 R72 V75 L104 K105 N106 S112 | W33-W108 HydrophobicContact CE3-CZ3 4.34Å; W33-W108 HydrophobicContact CH2-CZ3 4.11Å; W33-W108 HydrophobicContact CZ3-CE3 4.44Å; W33-W108 HydrophobicContact CZ3-CH2 4.44Å; W33-W108 AromaticContact CZ3-CZ3 3.6Å; W33-W108 HydrophobicContact CZ3-CZ3 3.6Å; M34-W108 VanDerWaalsContact SD-CA 3.58Å; M34-W108 HydrophobicContact SD-CB 4Å; M34-W108 HydrophobicContact SD-CE3 4.24Å; S68-W108 WeakPolarHBondContact O-CH2 3.49Å; R72-W108 HydrophobicContact CB-CH2 3.91Å; R72-W108 HydrophobicContact CB-CZ2 3.68Å; R72-W108 HydrophobicContact CG-CZ2 4.33Å; R72-W108 VanDerWaalsContact NH2-NE1 3.19Å; V75-W108 HydrophobicContact CB-CD2 4.46Å; V75-W108 HydrophobicContact CB-CE3 4.49Å; V75-W108 HydrophobicContact CG1-CB 4.41Å; V75-W108 HydrophobicContact CG1-CG 4.29Å; V75-W108 HydrophobicContact CG2-CB 4.14Å; V75-W108 HydrophobicContact CG2-CD2 3.9Å; V75-W108 HydrophobicContact CG2-CE3 3.6Å; V75-W108 HydrophobicContact CG2-CG 4.1Å; V75-W108 HydrophobicContact CG2-CZ3 4.46Å; L104-W108 VanDerWaalsContact O-CB 3.25Å; L104-W108 WeakPolarHBondContact O-CB 3.31Å; L104-W108 PolarHBondContact O-N 3.14Å; K105-W108 PolarHBondContact O-N 3.09Å; N106-W108 VanDerWaalsContact C-N 3.3Å; N106-W108 PolarHBondContact O-N 3.11Å; W108-S112 WeakPolarHBondContact CZ2-OG 3.32Å; W108-S112 PolarHBondContact NE1-OG 3.25Å; W108-S112 WeakPolarHBondContact O-CB 3.18Å; W108-S112 PolarHBondContact O-N 3.21Å; W108-S112 PolarHBondContact O-OG 3.16Å |
| 109 | D | 93.6 | Very high | 92.2 | Very high | 89 Ų | 89 | 59.4 Ų | 59.4 | 48% | 0.476 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -72 | -36.3 | 179.8 | -71.1 | -26.1 | 0 | 0 | 0 | 111.1 | K105 N106 T113 | K105-D109 WeakPolarHBondContact O-CB 3.28Å; K105-D109 PolarHBondContact O-N 3.36Å; N106-D109 PolarHBondContact O-N 3.24Å; D109-T113 VanDerWaalsContact O-CB 3.3Å; D109-T113 WeakPolarHBondContact O-CB 3.44Å; D109-T113 PolarHBondContact O-N 3.25Å; D109-T113 PolarHBondContact O-OG1 3.35Å |
| 110 | E | 93.3 | Very high | 92.5 | Very high | 136 Ų | 136 | 57 Ų | 57 | 64% | 0.636 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -63.6 | -49.4 | 170.2 | -74.1 | 174.4 | -161.4 | 0 | 0 | 111.4 | N106 S112 T113 Y114 | N106-E110 WeakPolarHBondContact O-CB 3.21Å; N106-E110 WeakPolarHBondContact O-CG 3.49Å; N106-E110 PolarHBondContact O-N 3.1Å; E110-S112 PolarHBondContact O-N 3.18Å; E110-T113 PolarHBondContact O-N 3.42Å; E110-Y114 WeakPolarHBondContact O-CB 3.39Å; E110-Y114 PolarHBondContact O-N 3.29Å |
| 111 | T | 91.9 | Very high | 92.7 | Very high | 4 Ų | 4 | 57.7 Ų | 57.7 | 3% | 0.025 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.7 | -45.1 | 175.9 | -59.2 | 0 | 0 | 0 | 0 | 111 | W33 M34 I37 Q107 T113 Y114 I115 | W33-T111 HydrophobicContact CZ3-CG2 4.46Å; M34-T111 HydrophobicContact CB-CG2 4.41Å; M34-T111 HydrophobicContact CG-CG2 4.39Å; I37-T111 HydrophobicContact CG2-CG2 4.37Å; Q107-T111 WeakPolarHBondContact O-CB 3.39Å; Q107-T111 PolarHBondContact O-N 3.2Å; Q107-T111 PolarHBondContact O-OG1 3.17Å; T111-T113 VanDerWaalsContact C-N 3.34Å; T111-T113 PolarHBondContact O-N 2.75Å; T111-Y114 PolarHBondContact O-N 2.65Å; T111-I115 HydrophobicContact CG2-CD1 4.05Å; T111-I115 HydrophobicContact CG2-CG1 4.4Å; T111-I115 VanDerWaalsContact O-CG1 3.26Å; T111-I115 WeakPolarHBondContact O-CG1 3.23Å; T111-I115 PolarHBondContact O-N 3.12Å |
| 112 | S | 92.4 | Very high | 92.9 | Very high | 18 Ų | 18 | 57 Ų | 57 | 13% | 0.126 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.8 | -44.2 | 176.5 | -65.7 | 0 | 0 | 0 | 0 | 111.9 | W108 E110 Y114 I115 V116 | W108-S112 WeakPolarHBondContact CZ2-OG 3.32Å; W108-S112 PolarHBondContact NE1-OG 3.25Å; W108-S112 WeakPolarHBondContact O-CB 3.18Å; W108-S112 PolarHBondContact O-N 3.21Å; W108-S112 PolarHBondContact O-OG 3.16Å; E110-S112 PolarHBondContact O-N 3.18Å; S112-Y114 VanDerWaalsContact C-N 3.32Å; S112-I115 PolarHBondContact O-N 3.21Å; S112-V116 WeakPolarHBondContact O-CG2 3.21Å; S112-V116 PolarHBondContact O-N 3.34Å; S112-V116 VanDerWaalsContact O-N 3.13Å |
| 113 | T | 93.8 | Very high | 93 | Very high | 95 Ų | 95 | 54.5 Ų | 54.5 | 58% | 0.583 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -64.8 | -39.1 | 177.1 | -57.5 | 0 | 0 | 0 | 0 | 110.8 | D109 E110 T111 H117 | D109-T113 VanDerWaalsContact O-CB 3.3Å; D109-T113 WeakPolarHBondContact O-CB 3.44Å; D109-T113 PolarHBondContact O-N 3.25Å; D109-T113 PolarHBondContact O-OG1 3.35Å; E110-T113 PolarHBondContact O-N 3.42Å; T111-T113 VanDerWaalsContact C-N 3.34Å; T111-T113 PolarHBondContact O-N 2.75Å; T113-H117 WeakPolarHBondContact O-CB 3.48Å; T113-H117 PolarHBondContact O-N 2.83Å |
| 114 | Y | 94.6 | Very high | 93.1 | Very high | 52 Ų | 52 | 55.5 Ų | 55.5 | 20% | 0.204 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.9 | -41.2 | 177.8 | -172 | -144.2 | 0 | 0 | 0 | 112.8 | L41 K42 D45 E110 T111 S112 V116 H117 C118 | L41-Y114 HydrophobicContact CB-CD1 3.94Å; L41-Y114 HydrophobicContact CB-CE1 3.44Å; L41-Y114 VanDerWaalsContact CB-CE1 3.44Å; L41-Y114 HydrophobicContact CD1-CD1 3.49Å; L41-Y114 VanDerWaalsContact CD1-CD1 3.49Å; L41-Y114 HydrophobicContact CD1-CE1 3.93Å; L41-Y114 HydrophobicContact CD1-CG 4.03Å; L41-Y114 HydrophobicContact CG-CD1 4.37Å; L41-Y114 HydrophobicContact CG-CE1 4.34Å; K42-Y114 HydrophobicContact CG-CE1 4.16Å; D45-Y114 WeakPolarHBondContact CB-OH 3.49Å; D45-Y114 VanDerWaalsContact OD2-CE2 3.23Å; D45-Y114 WeakPolarHBondContact OD2-CE2 3.21Å; D45-Y114 PolarHBondContact OD2-OH 3.25Å; E110-Y114 WeakPolarHBondContact O-CB 3.39Å; E110-Y114 PolarHBondContact O-N 3.29Å; T111-Y114 PolarHBondContact O-N 2.65Å; S112-Y114 VanDerWaalsContact C-N 3.32Å; Y114-V116 PolarHBondContact O-N 3.39Å; Y114-H117 PolarHBondContact O-N 3.12Å; Y114-C118 HydrophobicContact CD2-CB 4.38Å; Y114-C118 HydrophobicContact CE2-CB 4.24Å; Y114-C118 WeakPolarHBondContact O-CB 3.41Å; Y114-C118 PolarHBondContact O-N 3.39Å |
| 115 | I | 93.2 | Very high | 93.2 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -52.6 | -54.1 | 171.8 | -71 | 167.2 | 0 | 0 | 0 | 110.1 | W33 I37 L41 I64 H65 T111 S112 H119 | W33-I115 HydrophobicContact CH2-CD1 4.27Å; I37-I115 HydrophobicContact CG2-CD1 3.99Å; I37-I115 HydrophobicContact CG2-CG1 3.94Å; L41-I115 HydrophobicContact CD1-CB 4.44Å; L41-I115 HydrophobicContact CD1-CG1 3.73Å; I64-I115 HydrophobicContact CG2-CD1 4.44Å; I64-I115 HydrophobicContact CG2-CG1 3.99Å; I64-I115 HydrophobicContact CG2-CG2 4.26Å; H65-I115 HydrophobicContact CB-CG2 3.97Å; T111-I115 HydrophobicContact CG2-CD1 4.05Å; T111-I115 HydrophobicContact CG2-CG1 4.4Å; T111-I115 VanDerWaalsContact O-CG1 3.26Å; T111-I115 WeakPolarHBondContact O-CG1 3.23Å; T111-I115 PolarHBondContact O-N 3.12Å; S112-I115 PolarHBondContact O-N 3.21Å; I115-H119 VanDerWaalsContact O-CB 3.28Å; I115-H119 WeakPolarHBondContact O-CB 3.48Å; I115-H119 PolarHBondContact O-N 2.97Å; I115-H119 VanDerWaalsContact O-N 3.07Å |
| 116 | V | 93.5 | Very high | 93.4 | Very high | 72 Ų | 72 | 54 Ų | 54 | 44% | 0.436 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.1 | -47.4 | -177.4 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | S112 Y114 C118 H119 S120 | S112-V116 WeakPolarHBondContact O-CG2 3.21Å; S112-V116 PolarHBondContact O-N 3.34Å; S112-V116 VanDerWaalsContact O-N 3.13Å; Y114-V116 PolarHBondContact O-N 3.39Å; V116-C118 PolarHBondContact O-N 2.64Å; V116-H119 PolarHBondContact O-N 3.31Å; V116-S120 WeakPolarHBondContact O-CB 3.24Å; V116-S120 PolarHBondContact O-N 3.17Å; V116-S120 PolarHBondContact O-OG 3.16Å |
| 117 | H | 94.1 | Very high | 93.3 | Very high | 112 Ų | 112 | 55.1 Ų | 55.1 | 52% | 0.519 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.1 | -42.4 | -178.7 | 179.1 | -92.5 | 0 | 0 | 0 | 112.7 | T113 Y114 R121 | T113-H117 WeakPolarHBondContact O-CB 3.48Å; T113-H117 PolarHBondContact O-N 2.83Å; Y114-H117 PolarHBondContact O-N 3.12Å; H117-R121 WeakPolarHBondContact O-CB 3.43Å; H117-R121 PolarHBondContact O-N 2.82Å |
| 118 | C | 92.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.1 | -51.5 | 176.6 | 177.7 | 0 | 0 | 0 | 0 | 111 | L41 D45 Y114 V116 R121 I122 | L41-C118 HydrophobicContact CD2-CB 3.94Å; D45-C118 PolarHBondContact OD1-SG 3.28Å; D45-C118 VanDerWaalsContact OD1-SG 3.36Å; Y114-C118 HydrophobicContact CD2-CB 4.38Å; Y114-C118 HydrophobicContact CE2-CB 4.24Å; Y114-C118 WeakPolarHBondContact O-CB 3.41Å; Y114-C118 PolarHBondContact O-N 3.39Å; V116-C118 PolarHBondContact O-N 2.64Å; C118-R121 PolarHBondContact O-N 3.3Å; C118-I122 WeakPolarHBondContact O-CG1 3.35Å; C118-I122 PolarHBondContact O-N 3.26Å; C118-I122 VanDerWaalsContact O-N 3.13Å |
| 119 | H | 94.1 | Very high | 93.4 | Very high | 18 Ų | 18 | 54.8 Ų | 54.8 | 8% | 0.083 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.8 | -55.3 | -179.9 | -178.6 | 50.3 | 0 | 0 | 0 | 111.9 | T61 E62 H65 I115 V116 R121 I122 E123 | T61-H119 PolarHBondContact OG1-ND1 2.74Å; E62-H119 PolarHBondContact N-ND1 3.01Å; H65-H119 AromaticContact CG-CD2 3.94Å; I115-H119 VanDerWaalsContact O-CB 3.28Å; I115-H119 WeakPolarHBondContact O-CB 3.48Å; I115-H119 PolarHBondContact O-N 2.97Å; I115-H119 VanDerWaalsContact O-N 3.07Å; V116-H119 PolarHBondContact O-N 3.31Å; H119-R121 VanDerWaalsContact C-N 3.28Å; H119-R121 PolarHBondContact O-N 3.12Å; H119-I122 PolarHBondContact O-N 2.85Å; H119-I122 VanDerWaalsContact O-N 3.16Å; H119-E123 WeakPolarHBondContact O-CB 3.49Å; H119-E123 PolarHBondContact O-N 3.22Å |
| 120 | S | 94.2 | Very high | 93.4 | Very high | 54 Ų | 54 | 51.6 Ų | 51.6 | 38% | 0.378 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.5 | -26.5 | -179.6 | -64.2 | 0 | 0 | 0 | 0 | 113.5 | V116 W124 | V116-S120 WeakPolarHBondContact O-CB 3.24Å; V116-S120 PolarHBondContact O-N 3.17Å; V116-S120 PolarHBondContact O-OG 3.16Å; S120-W124 WeakPolarHBondContact O-CB 3.41Å; S120-W124 PolarHBondContact O-N 3.46Å |
| 121 | R | 93.4 | Very high | 93.3 | Very high | 96 Ų | 96 | 50.8 Ų | 50.8 | 36% | 0.362 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -68.6 | -42 | 173.2 | -179.5 | 164.1 | 74 | 131.5 | -7.3 | 111.9 | D45 T47 H117 C118 H119 V125 | D45-R121 PolarHBondContact O-NH2 3.03Å; D45-R121 VanDerWaalsContact O-NH2 3.11Å; D45-R121 IonicContact OD1-CZ 3.44Å; D45-R121 IonicContact OD1-NE 3.9Å; D45-R121 IonicContact OD1-NH2 3.8Å; D45-R121 PolarHBondContact OD1-NH2 3.4Å; D45-R121 IonicContact OD2-NH2 2.64Å; D45-R121 PolarHBondContact OD2-NH2 3.38Å; D45-R121 VanDerWaalsContact OD2-NH2 3.17Å; T47-R121 HydrophobicContact CG2-CG 4.38Å; H117-R121 WeakPolarHBondContact O-CB 3.43Å; H117-R121 PolarHBondContact O-N 2.82Å; C118-R121 PolarHBondContact O-N 3.3Å; H119-R121 VanDerWaalsContact C-N 3.28Å; H119-R121 PolarHBondContact O-N 3.12Å; R121-V125 WeakPolarHBondContact O-CG2 3.41Å; R121-V125 PolarHBondContact O-N 3.1Å |
| 122 | I | 93.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -72.6 | -43.4 | 178.3 | -66.7 | 164.4 | 0 | 0 | 0 | 110.4 | N44 L54 R57 L58 T61 C118 H119 W124 V125 W126 | N44-I122 VanDerWaalsContact O-CD1 3.29Å; N44-I122 WeakPolarHBondContact O-CD1 3.49Å; L54-I122 HydrophobicContact CD1-CG2 3.91Å; L54-I122 HydrophobicContact CG-CG2 4.34Å; R57-I122 HydrophobicContact CB-CD1 4.37Å; R57-I122 HydrophobicContact CB-CG2 4.46Å; L58-I122 HydrophobicContact CB-CG2 3.86Å; L58-I122 HydrophobicContact CD1-CG2 4.25Å; T61-I122 HydrophobicContact CG2-CD1 3.91Å; C118-I122 WeakPolarHBondContact O-CG1 3.35Å; C118-I122 PolarHBondContact O-N 3.26Å; C118-I122 VanDerWaalsContact O-N 3.13Å; H119-I122 PolarHBondContact O-N 2.85Å; H119-I122 VanDerWaalsContact O-N 3.16Å; I122-W124 PolarHBondContact O-N 3.14Å; I122-V125 PolarHBondContact O-N 3.19Å; I122-W126 WeakPolarHBondContact O-CB 3.5Å; I122-W126 PolarHBondContact O-N 3.41Å |
| 123 | E | 93.4 | Very high | 93.5 | Very high | 89 Ų | 89 | 51.6 Ų | 51.6 | 42% | 0.416 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -55.5 | -49.8 | 174.3 | -174.9 | -174.3 | -153 | 0 | 0 | 111.3 | L58 H119 V125 W126 L127 | L58-E123 HydrophobicContact CD1-CB 3.76Å; L58-E123 HydrophobicContact CD1-CG 4.38Å; H119-E123 WeakPolarHBondContact O-CB 3.49Å; H119-E123 PolarHBondContact O-N 3.22Å; E123-V125 PolarHBondContact O-N 3.22Å; E123-W126 PolarHBondContact O-N 3.42Å; E123-L127 WeakPolarHBondContact O-CB 3.42Å; E123-L127 PolarHBondContact O-N 3.35Å |
| 124 | W | 93.9 | Very high | 93.5 | Very high | 118 Ų | 118 | 53.2 Ų | 53.2 | 45% | 0.447 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.7 | -44.2 | 179.2 | -177 | 92.4 | 0 | 0 | 0 | 112.4 | S120 I122 H128 | S120-W124 WeakPolarHBondContact O-CB 3.41Å; S120-W124 PolarHBondContact O-N 3.46Å; I122-W124 PolarHBondContact O-N 3.14Å; W124-H128 HydrophobicContact CH2-CB 4.23Å; W124-H128 AromaticContact CH2-CD2 3.38Å; W124-H128 WeakPolarHBondContact CH2-CD2 3.47Å; W124-H128 AromaticContact CH2-CG 3.94Å; W124-H128 HydrophobicContact CZ2-CB 4.41Å; W124-H128 HydrophobicContact CZ3-CB 4.27Å; W124-H128 AromaticContact CZ3-CD2 3.86Å; W124-H128 VanDerWaalsContact O-CB 3.24Å; W124-H128 WeakPolarHBondContact O-CB 3.42Å; W124-H128 PolarHBondContact O-N 2.93Å |
| 125 | V | 93.8 | Very high | 93.5 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.018 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.4 | -41.2 | 179.2 | 176.8 | 0 | 0 | 0 | 0 | 111 | T47 L54 R121 I122 E123 W129 I198 | T47-V125 HydrophobicContact CG2-CB 4.29Å; T47-V125 HydrophobicContact CG2-CG2 3.85Å; L54-V125 HydrophobicContact CD2-CB 4.31Å; L54-V125 HydrophobicContact CD2-CG1 3.83Å; R121-V125 WeakPolarHBondContact O-CG2 3.41Å; R121-V125 PolarHBondContact O-N 3.1Å; I122-V125 PolarHBondContact O-N 3.19Å; E123-V125 PolarHBondContact O-N 3.22Å; V125-W129 VanDerWaalsContact O-CB 3.29Å; V125-W129 WeakPolarHBondContact O-CB 3.25Å; V125-W129 PolarHBondContact O-N 3.25Å; V125-I198 HydrophobicContact CG1-CG2 3.42Å; V125-I198 VanDerWaalsContact CG1-CG2 3.42Å |
| 126 | W | 93.7 | Very high | 93.5 | Very high | 64 Ų | 64 | 55.2 Ų | 55.2 | 24% | 0.242 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.1 | -40.8 | 177.9 | -179.1 | 95.8 | 0 | 0 | 0 | 111.9 | L54 E55 L58 I122 E123 S130 | L54-W126 HydrophobicContact CD2-CB 3.87Å; L54-W126 HydrophobicContact CG-CB 4.28Å; E55-W126 HydrophobicContact CG-CZ2 4.44Å; E55-W126 PolarHBondContact OE2-NE1 3.12Å; E55-W126 VanDerWaalsContact OE2-NE1 3.09Å; L58-W126 HydrophobicContact CD2-CB 4.09Å; L58-W126 HydrophobicContact CD2-CD2 3.96Å; L58-W126 HydrophobicContact CD2-CE3 4.1Å; L58-W126 HydrophobicContact CD2-CG 3.95Å; I122-W126 WeakPolarHBondContact O-CB 3.5Å; I122-W126 PolarHBondContact O-N 3.41Å; E123-W126 PolarHBondContact O-N 3.42Å; W126-S130 WeakPolarHBondContact O-CB 3.38Å; W126-S130 PolarHBondContact O-N 3.36Å; W126-S130 PolarHBondContact O-OG 3.33Å |
| 127 | L | 92.8 | Very high | 93.6 | Very high | 87 Ų | 87 | 57.7 Ų | 57.7 | 46% | 0.455 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.9 | -49.3 | 176.6 | -176.9 | 64.5 | 0 | 0 | 0 | 111 | E123 W129 S130 E131 | E123-L127 WeakPolarHBondContact O-CB 3.42Å; E123-L127 PolarHBondContact O-N 3.35Å; L127-W129 VanDerWaalsContact C-N 3.34Å; L127-W129 PolarHBondContact O-N 3.01Å; L127-S130 CarbonylContact O-C 3.52Å; L127-S130 WeakPolarHBondContact O-CA 3.37Å; L127-S130 VanDerWaalsContact O-CB 3.29Å; L127-S130 WeakPolarHBondContact O-CB 3.39Å; L127-S130 PolarHBondContact O-N 3.01Å; L127-E131 PolarHBondContact O-N 3.5Å |
| 128 | H | 92.1 | Very high | 93.6 | Very high | 39 Ų | 39 | 57.8 Ų | 57.8 | 18% | 0.181 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.9 | -38.9 | 179.8 | -175 | 42.4 | 0 | 0 | 0 | 112.4 | W124 S130 E131 Y132 | W124-H128 HydrophobicContact CH2-CB 4.23Å; W124-H128 AromaticContact CH2-CD2 3.38Å; W124-H128 WeakPolarHBondContact CH2-CD2 3.47Å; W124-H128 AromaticContact CH2-CG 3.94Å; W124-H128 HydrophobicContact CZ2-CB 4.41Å; W124-H128 HydrophobicContact CZ3-CB 4.27Å; W124-H128 AromaticContact CZ3-CD2 3.86Å; W124-H128 VanDerWaalsContact O-CB 3.24Å; W124-H128 WeakPolarHBondContact O-CB 3.42Å; W124-H128 PolarHBondContact O-N 2.93Å; H128-S130 VanDerWaalsContact C-N 3.3Å; H128-S130 PolarHBondContact O-N 3.43Å; H128-E131 PolarHBondContact O-N 2.98Å; H128-Y132 WeakPolarHBondContact O-CB 3.32Å; H128-Y132 PolarHBondContact O-N 3.45Å |
| 129 | W | 94.5 | Very high | 93.8 | Very high | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.015 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.5 | -35.6 | 171.9 | -167.3 | 4.8 | 0 | 0 | 0 | 111.7 | R51 L54 V125 L127 L133 L194 I198 D200 | R51-W129 VanDerWaalsContact CA-CZ3 3.43Å; R51-W129 HydrophobicContact CB-CD2 4.34Å; R51-W129 HydrophobicContact CB-CE3 3.99Å; R51-W129 HydrophobicContact CB-CH2 3.78Å; R51-W129 HydrophobicContact CB-CZ2 4.1Å; R51-W129 HydrophobicContact CB-CZ3 3.71Å; R51-W129 HydrophobicContact CG-CD2 4.34Å; R51-W129 HydrophobicContact CG-CE3 4.1Å; R51-W129 HydrophobicContact CG-CZ3 4.32Å; L54-W129 HydrophobicContact CD2-CE3 3.96Å; L54-W129 HydrophobicContact CD2-CZ3 4.31Å; V125-W129 VanDerWaalsContact O-CB 3.29Å; V125-W129 WeakPolarHBondContact O-CB 3.25Å; V125-W129 PolarHBondContact O-N 3.25Å; L127-W129 VanDerWaalsContact C-N 3.34Å; L127-W129 PolarHBondContact O-N 3.01Å; W129-L133 HydrophobicContact CG-CD1 4.39Å; W129-L133 WeakPolarHBondContact O-CB 3.36Å; W129-L133 WeakPolarHBondContact O-CG 3.29Å; W129-L133 PolarHBondContact O-N 3.21Å; W129-L194 HydrophobicContact CB-CD2 3.98Å; W129-I198 HydrophobicContact CD2-CD1 3.66Å; W129-I198 HydrophobicContact CE3-CD1 3.77Å; W129-I198 HydrophobicContact CE3-CG2 4.26Å; W129-I198 HydrophobicContact CG-CD1 4.27Å; W129-I198 HydrophobicContact CH2-CD1 3.78Å; W129-I198 HydrophobicContact CH2-CG1 4.43Å; W129-I198 HydrophobicContact CZ2-CD1 3.7Å; W129-I198 HydrophobicContact CZ3-CB 4.25Å; W129-I198 HydrophobicContact CZ3-CD1 3.82Å; W129-I198 HydrophobicContact CZ3-CG1 4.46Å; W129-I198 HydrophobicContact CZ3-CG2 4.33Å; W129-D200 HydrophobicContact CH2-CB 3.78Å; W129-D200 HydrophobicContact CZ2-CB 4.03Å |
| 130 | S | 92.2 | Very high | 93.8 | Very high | 22 Ų | 22 | 59.2 Ų | 59.2 | 15% | 0.154 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.6 | -37.9 | 176.3 | -58 | 0 | 0 | 0 | 0 | 112.8 | R51 W126 L127 H128 K134 | R51-S130 PolarHBondContact NH2-OG 3.23Å; W126-S130 WeakPolarHBondContact O-CB 3.38Å; W126-S130 PolarHBondContact O-N 3.36Å; W126-S130 PolarHBondContact O-OG 3.33Å; L127-S130 CarbonylContact O-C 3.52Å; L127-S130 WeakPolarHBondContact O-CA 3.37Å; L127-S130 VanDerWaalsContact O-CB 3.29Å; L127-S130 WeakPolarHBondContact O-CB 3.39Å; L127-S130 PolarHBondContact O-N 3.01Å; H128-S130 VanDerWaalsContact C-N 3.3Å; H128-S130 PolarHBondContact O-N 3.43Å; S130-K134 PolarHBondContact O-N 3.13Å |
| 131 | E | 92.6 | Very high | 93.9 | Very high | 118 Ų | 118 | 63 Ų | 63 | 55% | 0.551 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -67.1 | -46.3 | 173.9 | -69.2 | 178.3 | 148.9 | 0 | 0 | 111.6 | L127 H128 K134 A135 | L127-E131 PolarHBondContact O-N 3.5Å; H128-E131 PolarHBondContact O-N 2.98Å; E131-K134 PolarHBondContact O-N 2.95Å; E131-A135 PolarHBondContact O-N 3.08Å; E131-A135 VanDerWaalsContact O-N 3.14Å |
| 132 | Y | 94.4 | Very high | 94.1 | Very high | 10 Ų | 10 | 60.8 Ų | 60.8 | 4% | 0.039 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58 | -49.3 | 175 | 165.9 | -96.1 | 0 | 0 | 0 | 112.1 | H128 K134 A135 Y136 L187 E190 A191 L194 V203 | H128-Y132 WeakPolarHBondContact O-CB 3.32Å; H128-Y132 PolarHBondContact O-N 3.45Å; Y132-K134 VanDerWaalsContact C-N 3.28Å; Y132-K134 PolarHBondContact O-N 2.84Å; Y132-A135 PolarHBondContact O-N 2.84Å; Y132-A135 VanDerWaalsContact O-N 3.08Å; Y132-Y136 WeakPolarHBondContact O-CB 3.28Å; Y132-Y136 PolarHBondContact O-N 3.31Å; Y132-L187 HydrophobicContact CD2-CD2 3.98Å; Y132-L187 HydrophobicContact CE2-CB 4.47Å; Y132-L187 HydrophobicContact CE2-CD2 3.86Å; Y132-L187 WeakPolarHBondContact CE2-O 3.08Å; Y132-E190 HydrophobicContact CD2-CB 3.97Å; Y132-A191 HydrophobicContact CE2-CB 3.87Å; Y132-L194 VanDerWaalsContact CB-CD1 3.42Å; Y132-L194 HydrophobicContact CD1-CD1 3.78Å; Y132-L194 HydrophobicContact CD2-CD1 4.13Å; Y132-L194 HydrophobicContact CG-CD1 3.47Å; Y132-L194 VanDerWaalsContact CG-CD1 3.47Å; Y132-V203 HydrophobicContact CD1-CG1 4.26Å; Y132-V203 HydrophobicContact CE1-CG1 3.53Å |
| 133 | L | 93.3 | Very high | 94.2 | Very high | 30 Ų | 30 | 61 Ų | 61 | 16% | 0.157 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60 | -39.3 | -178.7 | -79.5 | 170.5 | 0 | 0 | 0 | 111.8 | W129 Y136 E137 | W129-L133 HydrophobicContact CG-CD1 4.39Å; W129-L133 WeakPolarHBondContact O-CB 3.36Å; W129-L133 WeakPolarHBondContact O-CG 3.29Å; W129-L133 PolarHBondContact O-N 3.21Å; L133-Y136 PolarHBondContact O-N 2.92Å; L133-E137 WeakPolarHBondContact O-CB 3.35Å; L133-E137 VanDerWaalsContact O-CG 3.31Å; L133-E137 WeakPolarHBondContact O-CG 3.38Å; L133-E137 PolarHBondContact O-N 3.41Å |
| 134 | K | 93.9 | Very high | 94.3 | Very high | 128 Ų | 128 | 59.3 Ų | 59.3 | 56% | 0.557 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -61.6 | -46.3 | 174.1 | -177 | -172 | 165.3 | -169.5 | 0 | 111.8 | S130 E131 Y132 Y136 E137 E138 | S130-K134 PolarHBondContact O-N 3.13Å; E131-K134 PolarHBondContact O-N 2.95Å; Y132-K134 VanDerWaalsContact C-N 3.28Å; Y132-K134 PolarHBondContact O-N 2.84Å; K134-Y136 VanDerWaalsContact C-N 3.33Å; K134-Y136 PolarHBondContact O-N 3.45Å; K134-E137 PolarHBondContact O-N 3.02Å; K134-E138 WeakPolarHBondContact CE-OE1 3.38Å; K134-E138 IonicContact NZ-OE1 2.59Å; K134-E138 WeakPolarHBondContact O-CG 3.46Å; K134-E138 PolarHBondContact O-N 3.47Å |
| 135 | A | 93.6 | Very high | 94.3 | Very high | 20 Ų | 20 | 60.7 Ų | 60.7 | 17% | 0.165 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.4 | -34.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E131 Y132 F139 L187 | E131-A135 PolarHBondContact O-N 3.08Å; E131-A135 VanDerWaalsContact O-N 3.14Å; Y132-A135 PolarHBondContact O-N 2.84Å; Y132-A135 VanDerWaalsContact O-N 3.08Å; A135-F139 WeakPolarHBondContact O-CB 3.48Å; A135-F139 PolarHBondContact O-N 3.26Å; A135-F139 VanDerWaalsContact O-N 3.14Å; A135-L187 HydrophobicContact CB-CD2 3.81Å |
| 136 | Y | 94.6 | Very high | 94.4 | Very high | 75 Ų | 75 | 61.9 Ų | 61.9 | 29% | 0.294 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.7 | -48.2 | 171.8 | 173.5 | -107.8 | 0 | 0 | 0 | 111.9 | Y132 L133 K134 E138 F139 E140 L211 | Y132-Y136 WeakPolarHBondContact O-CB 3.28Å; Y132-Y136 PolarHBondContact O-N 3.31Å; L133-Y136 PolarHBondContact O-N 2.92Å; K134-Y136 VanDerWaalsContact C-N 3.33Å; K134-Y136 PolarHBondContact O-N 3.45Å; Y136-E138 PolarHBondContact O-N 3.39Å; Y136-F139 PolarHBondContact O-N 3.43Å; Y136-F139 VanDerWaalsContact O-N 3.16Å; Y136-E140 HydrophobicContact CD1-CG 4.4Å; Y136-E140 HydrophobicContact CD2-CG 4.08Å; Y136-E140 HydrophobicContact CE1-CG 3.92Å; Y136-E140 HydrophobicContact CE2-CG 3.53Å; Y136-E140 VanDerWaalsContact CE2-OE1 3.25Å; Y136-E140 WeakPolarHBondContact CE2-OE1 3.34Å; Y136-E140 HydrophobicContact CG-CG 4.47Å; Y136-E140 VanDerWaalsContact CZ-CG 3.42Å; Y136-E140 WeakPolarHBondContact O-CB 2.84Å; Y136-E140 WeakPolarHBondContact O-CG 3.44Å; Y136-E140 PolarHBondContact O-N 3.28Å; Y136-E140 PolarHBondContact OH-OE1 3.09Å; Y136-L211 HydrophobicContact CD2-CD1 4.43Å; Y136-L211 HydrophobicContact CD2-CD2 3.95Å; Y136-L211 HydrophobicContact CE2-CD1 3.92Å; Y136-L211 HydrophobicContact CE2-CD2 3.95Å; Y136-L211 HydrophobicContact CE2-CG 4.39Å |
| 137 | E | 95 | Very high | 94.4 | Very high | 125 Ų | 125 | 61.9 Ų | 61.9 | 58% | 0.584 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -60.6 | -40.9 | 176.7 | -75.6 | 172.9 | -162.9 | 0 | 0 | 112.6 | L133 K134 F139 L141 | L133-E137 WeakPolarHBondContact O-CB 3.35Å; L133-E137 VanDerWaalsContact O-CG 3.31Å; L133-E137 WeakPolarHBondContact O-CG 3.38Å; L133-E137 PolarHBondContact O-N 3.41Å; K134-E137 PolarHBondContact O-N 3.02Å; E137-F139 VanDerWaalsContact C-N 3.34Å; E137-L141 WeakPolarHBondContact O-CB 3.48Å; E137-L141 PolarHBondContact O-N 3.1Å |
| 138 | E | 95.4 | Very high | 94.4 | Very high | 113 Ų | 113 | 66.1 Ų | 66.1 | 53% | 0.528 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64 | -37.7 | 174.8 | -74.5 | 178 | -176.4 | 0 | 0 | 112 | K134 Y136 W142 | K134-E138 WeakPolarHBondContact CE-OE1 3.38Å; K134-E138 IonicContact NZ-OE1 2.59Å; K134-E138 WeakPolarHBondContact O-CG 3.46Å; K134-E138 PolarHBondContact O-N 3.47Å; Y136-E138 PolarHBondContact O-N 3.39Å; E138-W142 PolarHBondContact O-N 3.18Å |
| 139 | F | 96.3 | Very high | 94.3 | Very high | 4 Ų | 4 | 67.2 Ų | 67.2 | 2% | 0.018 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -74.8 | -40 | 177.9 | -173.3 | -91.8 | 0 | 0 | 0 | 113 | A135 Y136 E137 W142 L143 Q180 L183 L184 L187 L211 Y215 | A135-F139 WeakPolarHBondContact O-CB 3.48Å; A135-F139 PolarHBondContact O-N 3.26Å; A135-F139 VanDerWaalsContact O-N 3.14Å; Y136-F139 PolarHBondContact O-N 3.43Å; Y136-F139 VanDerWaalsContact O-N 3.16Å; E137-F139 VanDerWaalsContact C-N 3.34Å; F139-W142 HydrophobicContact CD2-CE3 4.36Å; F139-W142 HydrophobicContact CE2-CE3 4.18Å; F139-W142 HydrophobicContact CE2-CZ3 4.14Å; F139-W142 HydrophobicContact CZ-CE3 4.44Å; F139-W142 HydrophobicContact CZ-CZ3 4.19Å; F139-W142 CarbonylContact O-C 3.6Å; F139-W142 WeakPolarHBondContact O-CB 3.45Å; F139-W142 PolarHBondContact O-N 2.97Å; F139-L143 HydrophobicContact CD1-CD1 3.85Å; F139-L143 HydrophobicContact CD1-CG 4.04Å; F139-L143 HydrophobicContact CE1-CD1 3.54Å; F139-L143 HydrophobicContact CE1-CD2 4.25Å; F139-L143 HydrophobicContact CE1-CG 3.76Å; F139-L143 HydrophobicContact CZ-CG 4.4Å; F139-L143 PolarHBondContact O-N 3.05Å; F139-Q180 HydrophobicContact CE2-CB 4.14Å; F139-L183 HydrophobicContact CD2-CD2 3.85Å; F139-L183 HydrophobicContact CD2-CG 3.98Å; F139-L183 HydrophobicContact CE2-CG 4.43Å; F139-L184 HydrophobicContact CE1-CD1 4.15Å; F139-L184 HydrophobicContact CE2-CB 4.27Å; F139-L184 HydrophobicContact CZ-CB 3.83Å; F139-L184 HydrophobicContact CZ-CD1 4.23Å; F139-L184 HydrophobicContact CZ-CG 4.48Å; F139-L187 HydrophobicContact CB-CD1 3.76Å; F139-L187 HydrophobicContact CD1-CD1 4.25Å; F139-L187 HydrophobicContact CD2-CD1 4.16Å; F139-L187 HydrophobicContact CG-CD1 3.82Å; F139-L211 HydrophobicContact CD1-CD1 3.77Å; F139-L211 HydrophobicContact CE1-CD1 3.72Å; F139-L211 HydrophobicContact CE1-CG 4.4Å; F139-Y215 HydrophobicContact CZ-CD2 4.17Å |
| 140 | E | 94.6 | Very high | 94.2 | Very high | 45 Ų | 45 | 67.8 Ų | 67.8 | 21% | 0.21 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 173.7 | -78.8 | -71.4 | -177.8 | 0 | 0 | 112.4 | Y136 W142 L143 T144 | Y136-E140 HydrophobicContact CD1-CG 4.4Å; Y136-E140 HydrophobicContact CD2-CG 4.08Å; Y136-E140 HydrophobicContact CE1-CG 3.92Å; Y136-E140 HydrophobicContact CE2-CG 3.53Å; Y136-E140 VanDerWaalsContact CE2-OE1 3.25Å; Y136-E140 WeakPolarHBondContact CE2-OE1 3.34Å; Y136-E140 HydrophobicContact CG-CG 4.47Å; Y136-E140 VanDerWaalsContact CZ-CG 3.42Å; Y136-E140 WeakPolarHBondContact O-CB 2.84Å; Y136-E140 WeakPolarHBondContact O-CG 3.44Å; Y136-E140 PolarHBondContact O-N 3.28Å; Y136-E140 PolarHBondContact OH-OE1 3.09Å; E140-W142 VanDerWaalsContact C-N 3.3Å; E140-W142 PolarHBondContact O-N 3.03Å; E140-L143 PolarHBondContact O-N 3.41Å; E140-T144 VanDerWaalsContact O-CB 3.28Å; E140-T144 WeakPolarHBondContact O-CB 3.46Å; E140-T144 PolarHBondContact O-N 3.17Å; E140-T144 PolarHBondContact O-OG1 3.14Å |
| 141 | L | 95.7 | Very high | 94 | Very high | 132 Ų | 132 | 71.1 Ų | 71.1 | 69% | 0.691 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62 | -40.9 | 172.4 | -169.8 | 81 | 0 | 0 | 0 | 111 | E137 K145 | E137-L141 WeakPolarHBondContact O-CB 3.48Å; E137-L141 PolarHBondContact O-N 3.1Å; L141-K145 WeakPolarHBondContact O-CB 3.29Å; L141-K145 PolarHBondContact O-N 3.3Å |
| 142 | W | 96.8 | Very high | 93.8 | Very high | 50 Ų | 50 | 71.1 Ų | 71.1 | 19% | 0.189 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66 | -48.2 | 175.3 | 174.4 | 92.7 | 0 | 0 | 0 | 111.9 | E138 F139 E140 T144 K145 Q146 I177 Q180 Y215 | E138-W142 PolarHBondContact O-N 3.18Å; F139-W142 HydrophobicContact CD2-CE3 4.36Å; F139-W142 HydrophobicContact CE2-CE3 4.18Å; F139-W142 HydrophobicContact CE2-CZ3 4.14Å; F139-W142 HydrophobicContact CZ-CE3 4.44Å; F139-W142 HydrophobicContact CZ-CZ3 4.19Å; F139-W142 CarbonylContact O-C 3.6Å; F139-W142 WeakPolarHBondContact O-CB 3.45Å; F139-W142 PolarHBondContact O-N 2.97Å; E140-W142 VanDerWaalsContact C-N 3.3Å; E140-W142 PolarHBondContact O-N 3.03Å; W142-T144 VanDerWaalsContact C-N 3.34Å; W142-T144 PolarHBondContact O-N 3.13Å; W142-K145 WeakPolarHBondContact O-CB 3.33Å; W142-K145 PolarHBondContact O-N 3.22Å; W142-K145 VanDerWaalsContact O-N 3.1Å; W142-Q146 HydrophobicContact CD2-CG 4.04Å; W142-Q146 HydrophobicContact CE3-CG 4.48Å; W142-Q146 HydrophobicContact CH2-CG 4.17Å; W142-Q146 HydrophobicContact CZ2-CG 3.69Å; W142-Q146 VanDerWaalsContact NE1-NE2 3.11Å; W142-Q146 WeakPolarHBondContact O-CG 3.4Å; W142-Q146 PolarHBondContact O-N 3Å; W142-I177 HydrophobicContact CH2-CB 4.3Å; W142-I177 HydrophobicContact CH2-CG1 4.09Å; W142-I177 HydrophobicContact CH2-CG2 4.21Å; W142-I177 HydrophobicContact CZ2-CB 4.42Å; W142-I177 HydrophobicContact CZ2-CG1 3.94Å; W142-Q180 HydrophobicContact CD2-CG 4.37Å; W142-Q180 HydrophobicContact CH2-CB 3.7Å; W142-Q180 HydrophobicContact CH2-CG 3.64Å; W142-Q180 HydrophobicContact CZ2-CB 4.04Å; W142-Q180 HydrophobicContact CZ2-CG 3.42Å; W142-Q180 VanDerWaalsContact CZ2-CG 3.42Å; W142-Q180 HydrophobicContact CZ3-CB 4.03Å; W142-Q180 HydrophobicContact CZ3-CG 4.18Å; W142-Y215 HydrophobicContact CH2-CD2 4.45Å; W142-Y215 HydrophobicContact CH2-CE2 4.28Å; W142-Y215 HydrophobicContact CZ3-CD2 4.18Å; W142-Y215 HydrophobicContact CZ3-CE2 4.42Å |
| 143 | L | 96.3 | Very high | 93.4 | Very high | 5 Ų | 5 | 78 Ų | 78 | 3% | 0.026 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -55.4 | -48.6 | 174.6 | -81.1 | 179.2 | 0 | 0 | 0 | 111.5 | F139 E140 K145 Q146 R147 L211 D214 Y215 V218 | F139-L143 HydrophobicContact CD1-CD1 3.85Å; F139-L143 HydrophobicContact CD1-CG 4.04Å; F139-L143 HydrophobicContact CE1-CD1 3.54Å; F139-L143 HydrophobicContact CE1-CD2 4.25Å; F139-L143 HydrophobicContact CE1-CG 3.76Å; F139-L143 HydrophobicContact CZ-CG 4.4Å; F139-L143 PolarHBondContact O-N 3.05Å; E140-L143 PolarHBondContact O-N 3.41Å; L143-K145 VanDerWaalsContact C-N 3.27Å; L143-K145 PolarHBondContact O-N 2.81Å; L143-Q146 PolarHBondContact O-N 3.13Å; L143-Q146 VanDerWaalsContact O-N 3.14Å; L143-R147 WeakPolarHBondContact O-CB 3.44Å; L143-R147 PolarHBondContact O-N 2.66Å; L143-L211 HydrophobicContact CD1-CD1 3.83Å; L143-D214 HydrophobicContact CD1-CB 4.25Å; L143-Y215 HydrophobicContact CD2-CD2 4.22Å; L143-V218 HydrophobicContact CD2-CB 4.37Å; L143-V218 HydrophobicContact CD2-CG2 4.26Å |
| 144 | T | 94.6 | Very high | 93.2 | Very high | 53 Ų | 53 | 78 Ų | 78 | 33% | 0.325 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.2 | -38.1 | 177.6 | -63 | 0 | 0 | 0 | 0 | 111.8 | E140 W142 R148 | E140-T144 VanDerWaalsContact O-CB 3.28Å; E140-T144 WeakPolarHBondContact O-CB 3.46Å; E140-T144 PolarHBondContact O-N 3.17Å; E140-T144 PolarHBondContact O-OG1 3.14Å; W142-T144 VanDerWaalsContact C-N 3.34Å; W142-T144 PolarHBondContact O-N 3.13Å; T144-R148 WeakPolarHBondContact O-CB 3.18Å; T144-R148 VanDerWaalsContact O-CG 3.29Å; T144-R148 WeakPolarHBondContact O-CG 3.46Å; T144-R148 PolarHBondContact O-N 3.5Å |
| 145 | K | 95 | Very high | 93 | Very high | 147 Ų | 147 | 78.8 Ų | 78.8 | 64% | 0.639 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -67.1 | -44.4 | 174.7 | -178 | -173.8 | 173.8 | -171 | 0 | 111.8 | L141 W142 L143 S149 | L141-K145 WeakPolarHBondContact O-CB 3.29Å; L141-K145 PolarHBondContact O-N 3.3Å; W142-K145 WeakPolarHBondContact O-CB 3.33Å; W142-K145 PolarHBondContact O-N 3.22Å; W142-K145 VanDerWaalsContact O-N 3.1Å; L143-K145 VanDerWaalsContact C-N 3.27Å; L143-K145 PolarHBondContact O-N 2.81Å; K145-S149 WeakPolarHBondContact O-CB 3.5Å; K145-S149 PolarHBondContact O-N 2.81Å; K145-S149 VanDerWaalsContact O-N 3.09Å |
| 146 | Q | 94.9 | Very high | 93 | Very high | 28 Ų | 28 | 81.2 Ų | 81.2 | 13% | 0.131 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.1 | -45.1 | 178.7 | -60.1 | -54 | -16.1 | 0 | 0 | 111.8 | W142 L143 R148 S149 L150 I177 V218 | W142-Q146 HydrophobicContact CD2-CG 4.04Å; W142-Q146 HydrophobicContact CE3-CG 4.48Å; W142-Q146 HydrophobicContact CH2-CG 4.17Å; W142-Q146 HydrophobicContact CZ2-CG 3.69Å; W142-Q146 VanDerWaalsContact NE1-NE2 3.11Å; W142-Q146 WeakPolarHBondContact O-CG 3.4Å; W142-Q146 PolarHBondContact O-N 3Å; L143-Q146 PolarHBondContact O-N 3.13Å; L143-Q146 VanDerWaalsContact O-N 3.14Å; Q146-R148 PolarHBondContact O-N 2.87Å; Q146-S149 WeakPolarHBondContact O-CB 3.28Å; Q146-S149 PolarHBondContact O-N 3.35Å; Q146-L150 WeakPolarHBondContact O-CG 3.42Å; Q146-L150 PolarHBondContact O-N 3.42Å; Q146-I177 HydrophobicContact CG-CG1 4.3Å; Q146-V218 HydrophobicContact CB-CG1 3.64Å; Q146-V218 HydrophobicContact CG-CG1 4.47Å |
| 147 | R | 94.4 | Very high | 92.9 | Very high | 65 Ų | 65 | 79.5 Ų | 79.5 | 25% | 0.245 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -51 | -57.3 | 174.7 | -174.8 | -179.9 | -76.9 | -74.5 | 0.8 | 110.4 | L143 S149 L150 D151 D214 D217 V218 | L143-R147 WeakPolarHBondContact O-CB 3.44Å; L143-R147 PolarHBondContact O-N 2.66Å; R147-S149 PolarHBondContact O-N 2.79Å; R147-S149 VanDerWaalsContact O-N 3.16Å; R147-L150 PolarHBondContact O-N 3.24Å; R147-D151 VanDerWaalsContact C-OD2 3.31Å; R147-D151 PolarHBondContact O-N 3.13Å; R147-D151 VanDerWaalsContact O-OD2 3.13Å; R147-D214 IonicContact CZ-OD1 3.94Å; R147-D214 IonicContact NE-OD1 3.17Å; R147-D214 IonicContact NH2-OD1 3.72Å; R147-D214 PolarHBondContact NH2-OD1 3.41Å; R147-D217 IonicContact CZ-OD2 3.99Å; R147-D217 IonicContact NH1-OD2 2.66Å; R147-D217 PolarHBondContact NH1-OD2 3.34Å; R147-D217 IonicContact NH2-OD2 3.15Å; R147-D217 PolarHBondContact NH2-OD2 3.34Å; R147-V218 HydrophobicContact CB-CG2 4.08Å |
| 148 | R | 92.3 | Very high | 92.7 | Very high | 176 Ų | 176 | 78.9 Ų | 78.9 | 66% | 0.664 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -59 | -28.7 | 176.8 | -69.9 | 176.1 | -173.1 | 176.6 | 5.9 | 114.8 | T144 Q146 D151 | T144-R148 WeakPolarHBondContact O-CB 3.18Å; T144-R148 VanDerWaalsContact O-CG 3.29Å; T144-R148 WeakPolarHBondContact O-CG 3.46Å; T144-R148 PolarHBondContact O-N 3.5Å; Q146-R148 PolarHBondContact O-N 2.87Å; R148-D151 WeakPolarHBondContact CA-OD2 3.43Å; R148-D151 PolarHBondContact N-OD2 3.35Å |
| 149 | S | 90.6 | Very high | 92.5 | Very high | 61 Ų | 61 | 74.4 Ų | 74.4 | 43% | 0.427 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -79 | -21.5 | 176.6 | -166.1 | 0 | 0 | 0 | 0 | 113.1 | K145 Q146 R147 | K145-S149 WeakPolarHBondContact O-CB 3.5Å; K145-S149 PolarHBondContact O-N 2.81Å; K145-S149 VanDerWaalsContact O-N 3.09Å; Q146-S149 WeakPolarHBondContact O-CB 3.28Å; Q146-S149 PolarHBondContact O-N 3.35Å; R147-S149 PolarHBondContact O-N 2.79Å; R147-S149 VanDerWaalsContact O-N 3.16Å |
| 150 | L | 92.1 | Very high | 92.4 | Very high | 16 Ų | 16 | 75.5 Ų | 75.5 | 8% | 0.084 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -93.8 | -27.6 | 177.2 | -65.9 | 167.5 | 0 | 0 | 0 | 112.1 | Q146 R147 L152 V218 R221 A222 R225 | Q146-L150 WeakPolarHBondContact O-CG 3.42Å; Q146-L150 PolarHBondContact O-N 3.42Å; R147-L150 PolarHBondContact O-N 3.24Å; L150-L152 PolarHBondContact O-N 3.22Å; L150-V218 HydrophobicContact CD1-CG1 4.06Å; L150-V218 WeakPolarHBondContact CD1-O 3.36Å; L150-R221 HydrophobicContact CD1-CB 4.28Å; L150-A222 HydrophobicContact CD1-CB 3.95Å; L150-A222 HydrophobicContact CD2-CB 3.95Å; L150-R225 PolarHBondContact O-NH1 3.45Å |
| 151 | D | 88.5 | Confident | 92.3 | Very high | 93 Ų | 93 | 81.3 Ų | 81.3 | 50% | 0.497 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -64.8 | -16.1 | 175.6 | -61.5 | -29.6 | 0 | 0 | 0 | 113.5 | R147 R148 | R147-D151 VanDerWaalsContact C-OD2 3.31Å; R147-D151 PolarHBondContact O-N 3.13Å; R147-D151 VanDerWaalsContact O-OD2 3.13Å; R148-D151 WeakPolarHBondContact CA-OD2 3.43Å; R148-D151 PolarHBondContact N-OD2 3.35Å |
| 152 | L | 88.1 | Confident | 92.2 | Very high | 118 Ų | 118 | 78.9 Ų | 78.9 | 62% | 0.618 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -80.4 | 131 | 172.7 | -65.8 | 173.8 | 0 | 0 | 0 | 110.3 | L150 R225 | L150-L152 PolarHBondContact O-N 3.22Å; L152-R225 PolarHBondContact O-NH1 3.3Å; L152-R225 PolarHBondContact O-NH2 3.15Å; L152-R225 VanDerWaalsContact O-NH2 3.15Å |
| 153 | D | 85.8 | Confident | 92.1 | Very high | 154 Ų | 154 | 76.7 Ų | 76.7 | 82% | 0.824 | 38% | 0.376 | S | S | * | . | trans | -54.7 | 163.8 | 178.2 | -73.2 | -53.7 | 0 | 0 | 0 | 114.2 | E155 R225 | D153-E155 PolarHBondContact O-N 3.3Å; D153-R225 PolarHBondContact O-NH2 3.4Å | ||
| 154 | V | 89.1 | Confident | 92.1 | Very high | 30 Ų | 30 | 80 Ų | 80 | 18% | 0.182 | 39% | 0.393 | C | S | . | . | trans | -76.4 | 113.4 | 174.4 | 176.2 | 0 | 0 | 0 | 0 | 109.7 | L156 R225 L228 L229 | V154-L156 PolarHBondContact O-N 3.31Å; V154-L156 VanDerWaalsContact O-N 3.14Å; V154-R225 HydrophobicContact CG2-CG 3.99Å; V154-L228 HydrophobicContact CG2-CD2 4.39Å; V154-L229 HydrophobicContact CG1-CD2 3.64Å; V154-L229 HydrophobicContact CG1-CG 4.39Å | ||
| 155 | E | 89.1 | Confident | 92.1 | Very high | 144 Ų | 144 | 84.4 Ų | 84.4 | 67% | 0.673 | 40% | 0.404 | S | S | * | . | trans | -66.8 | 109.6 | 173.2 | -174.1 | -174.7 | -146.5 | 0 | 0 | 110.5 | D153 Q157 Q166 | D153-E155 PolarHBondContact O-N 3.3Å; E155-Q157 PolarHBondContact O-N 3.45Å; E155-Q157 PolarHBondContact O-NE2 2.76Å; E155-Q157 PolarHBondContact OE2-NE2 2.66Å; E155-Q157 VanDerWaalsContact OE2-NE2 3.15Å; E155-Q166 PolarHBondContact O-NE2 3.1Å | ||
| 156 | L | 93.3 | Very high | 92.1 | Very high | 72 Ų | 72 | 78.5 Ų | 78.5 | 38% | 0.377 | 38% | 0.379 | S | S | . | . | trans | -66.8 | 115.9 | 180 | -59.3 | -179.4 | 0 | 0 | 0 | 111 | V154 S303 | V154-L156 PolarHBondContact O-N 3.31Å; V154-L156 VanDerWaalsContact O-N 3.14Å; L156-S303 VanDerWaalsContact O-CB 3.24Å; L156-S303 WeakPolarHBondContact O-CB 3.38Å | ||
| 157 | Q | 93.9 | Very high | 92.2 | Very high | 39 Ų | 39 | 77.8 Ų | 77.8 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | trans | -82.9 | 164.4 | 179.8 | -59.5 | -59.5 | -51.5 | 0 | 0 | 112.7 | E155 E162 K163 Q166 T302 S303 | E155-Q157 PolarHBondContact O-N 3.45Å; E155-Q157 PolarHBondContact O-NE2 2.76Å; E155-Q157 PolarHBondContact OE2-NE2 2.66Å; E155-Q157 VanDerWaalsContact OE2-NE2 3.15Å; Q157-E162 HydrophobicContact CB-CB 3.7Å; Q157-E162 HydrophobicContact CG-CB 4.03Å; Q157-K163 HydrophobicContact CB-CG 4.11Å; Q157-Q166 HydrophobicContact CG-CG 4.03Å; Q157-T302 WeakPolarHBondContact O-CG2 3.36Å; Q157-S303 PolarHBondContact O-N 2.87Å | ||
| 158 | M | 89.6 | Confident | 92.2 | Very high | 111 Ų | 111 | 80.5 Ų | 80.5 | 55% | 0.547 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -79.2 | -51.5 | -176 | -42.8 | -138.7 | -59 | 0 | 0 | 112.8 | T302 S303 A305 | M158-T302 VanDerWaalsContact O-CG2 3.23Å; M158-T302 WeakPolarHBondContact O-CG2 3.3Å; M158-S303 VanDerWaalsContact CG-OG 3.29Å; M158-S303 WeakPolarHBondContact CG-OG 3.38Å; M158-A305 HydrophobicContact SD-CB 3.94Å |
| 159 | G | 90.6 | Very high | 92.4 | Very high | 19 Ų | 19 | 76.6 Ų | 76.6 | 20% | 0.196 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -111.7 | 174.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | E162 K163 | G159-E162 WeakPolarHBondContact CA-OE2 3.4Å; G159-E162 PolarHBondContact N-OE2 3.36Å; G159-K163 WeakPolarHBondContact O-CG 3.3Å; G159-K163 PolarHBondContact O-N 3.03Å |
| 160 | L | 94.2 | Very high | 92.6 | Very high | 27 Ų | 27 | 74.1 Ų | 74.1 | 14% | 0.141 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.5 | -36.7 | 176.8 | 174.3 | 59 | 0 | 0 | 0 | 112.4 | K163 L164 S233 H236 H237 H240 | L160-K163 PolarHBondContact O-N 3.24Å; L160-L164 HydrophobicContact CD1-CD1 3.95Å; L160-L164 HydrophobicContact CD1-CG 4.02Å; L160-L164 HydrophobicContact CG-CD1 3.95Å; L160-L164 HydrophobicContact CG-CG 4.46Å; L160-L164 WeakPolarHBondContact O-CG 3.28Å; L160-L164 PolarHBondContact O-N 3.31Å; L160-S233 WeakPolarHBondContact CD1-O 3.41Å; L160-H236 HydrophobicContact CD1-CB 4.07Å; L160-H236 PolarHBondContact N-CE1 3.19Å; L160-H237 HydrophobicContact CD1-CB 3.99Å; L160-H237 HydrophobicContact CD2-CB 4.29Å; L160-H240 HydrophobicContact CD2-CB 4.26Å |
| 161 | K | 93.8 | Very high | 92.9 | Very high | 168 Ų | 168 | 77.6 Ų | 77.6 | 73% | 0.73 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -65.8 | -42.6 | -176.8 | -65 | 175.6 | -177.4 | 172.1 | 0 | 111.4 | L164 W165 | K161-L164 PolarHBondContact O-N 3.08Å; K161-W165 WeakPolarHBondContact O-CB 3.43Å; K161-W165 PolarHBondContact O-N 3.28Å |
| 162 | E | 93.5 | Very high | 93.2 | Very high | 81 Ų | 81 | 77.1 Ų | 77.1 | 38% | 0.379 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -70 | -36.9 | -178.9 | -60.2 | 69.1 | -149.2 | 0 | 0 | 110.6 | Q157 G159 W165 Q166 | Q157-E162 HydrophobicContact CB-CB 3.7Å; Q157-E162 HydrophobicContact CG-CB 4.03Å; G159-E162 WeakPolarHBondContact CA-OE2 3.4Å; G159-E162 PolarHBondContact N-OE2 3.36Å; E162-W165 PolarHBondContact O-N 3.48Å; E162-Q166 PolarHBondContact O-N 3Å |
| 163 | K | 94.8 | Very high | 93.5 | Very high | 3 Ų | 3 | 73.5 Ų | 73.5 | 1% | 0.013 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.1 | -43.5 | 171.5 | -72.8 | 172.7 | 172.4 | -169 | 0 | 112.8 | Q157 G159 L160 Q166 V167 I232 H236 N301 T302 | Q157-K163 HydrophobicContact CB-CG 4.11Å; G159-K163 WeakPolarHBondContact O-CG 3.3Å; G159-K163 PolarHBondContact O-N 3.03Å; L160-K163 PolarHBondContact O-N 3.24Å; K163-Q166 WeakPolarHBondContact O-CB 3.41Å; K163-Q166 PolarHBondContact O-N 3.32Å; K163-V167 PolarHBondContact O-N 3.42Å; K163-V167 VanDerWaalsContact O-N 3.11Å; K163-I232 HydrophobicContact CD-CG2 3.87Å; K163-I232 HydrophobicContact CG-CG2 4.38Å; K163-H236 HydrophobicContact CD-CB 4.25Å; K163-N301 WeakPolarHBondContact CE-O 3.41Å; K163-N301 PolarHBondContact NZ-O 3.46Å; K163-T302 PolarHBondContact NZ-OG1 3.13Å |
| 164 | L | 95.5 | Very high | 94 | Very high | 74 Ų | 74 | 66.4 Ų | 66.4 | 39% | 0.387 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.4 | -41 | 175.6 | -72.3 | 169 | 0 | 0 | 0 | 111.2 | L160 K161 Q166 V167 E168 | L160-L164 HydrophobicContact CD1-CD1 3.95Å; L160-L164 HydrophobicContact CD1-CG 4.02Å; L160-L164 HydrophobicContact CG-CD1 3.95Å; L160-L164 HydrophobicContact CG-CG 4.46Å; L160-L164 WeakPolarHBondContact O-CG 3.28Å; L160-L164 PolarHBondContact O-N 3.31Å; K161-L164 PolarHBondContact O-N 3.08Å; L164-Q166 VanDerWaalsContact C-N 3.34Å; L164-Q166 PolarHBondContact O-N 3.31Å; L164-V167 WeakPolarHBondContact O-CA 3.43Å; L164-V167 WeakPolarHBondContact O-CB 3.45Å; L164-V167 PolarHBondContact O-N 3.21Å; L164-V167 VanDerWaalsContact O-N 3.07Å; L164-E168 PolarHBondContact O-N 3.14Å |
| 165 | W | 94.8 | Very high | 94.3 | Very high | 147 Ų | 147 | 68.5 Ų | 68.5 | 56% | 0.557 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62.1 | -37.6 | 174.1 | -178.8 | 78.1 | 0 | 0 | 0 | 112.9 | K161 E162 V167 E168 Q169 | K161-W165 WeakPolarHBondContact O-CB 3.43Å; K161-W165 PolarHBondContact O-N 3.28Å; E162-W165 PolarHBondContact O-N 3.48Å; W165-V167 VanDerWaalsContact C-N 3.33Å; W165-V167 PolarHBondContact O-N 3.13Å; W165-E168 PolarHBondContact O-N 3.48Å; W165-Q169 WeakPolarHBondContact O-CB 3.47Å; W165-Q169 PolarHBondContact O-N 3.24Å |
| 166 | Q | 94.9 | Very high | 94.6 | Very high | 23 Ų | 23 | 65.7 Ų | 65.7 | 11% | 0.107 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.6 | -37.2 | 170.8 | -77.7 | -174.5 | -36 | 0 | 0 | 112.9 | E155 Q157 E162 K163 L164 Q170 L229 | E155-Q166 PolarHBondContact O-NE2 3.1Å; Q157-Q166 HydrophobicContact CG-CG 4.03Å; E162-Q166 PolarHBondContact O-N 3Å; K163-Q166 WeakPolarHBondContact O-CB 3.41Å; K163-Q166 PolarHBondContact O-N 3.32Å; L164-Q166 VanDerWaalsContact C-N 3.34Å; L164-Q166 PolarHBondContact O-N 3.31Å; Q166-Q170 VanDerWaalsContact O-CB 3.3Å; Q166-Q170 WeakPolarHBondContact O-CB 3.32Å; Q166-Q170 PolarHBondContact O-N 3.35Å; Q166-L229 HydrophobicContact CB-CD1 4.29Å; Q166-L229 HydrophobicContact CB-CD2 3.94Å |
| 167 | V | 96.9 | Very high | 94.8 | Very high | 12 Ų | 12 | 62.4 Ų | 62.4 | 7% | 0.073 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63 | -47.2 | 173.4 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | K163 L164 W165 Q170 M171 L226 L229 Q230 | K163-V167 PolarHBondContact O-N 3.42Å; K163-V167 VanDerWaalsContact O-N 3.11Å; L164-V167 WeakPolarHBondContact O-CA 3.43Å; L164-V167 WeakPolarHBondContact O-CB 3.45Å; L164-V167 PolarHBondContact O-N 3.21Å; L164-V167 VanDerWaalsContact O-N 3.07Å; W165-V167 VanDerWaalsContact C-N 3.33Å; W165-V167 PolarHBondContact O-N 3.13Å; V167-Q170 PolarHBondContact O-N 3.49Å; V167-M171 HydrophobicContact CG1-CE 4.05Å; V167-M171 WeakPolarHBondContact O-CG 3.43Å; V167-M171 PolarHBondContact O-N 2.82Å; V167-L226 HydrophobicContact CG1-CD1 4.02Å; V167-L229 HydrophobicContact CG2-CB 3.78Å; V167-Q230 HydrophobicContact CG1-CG 3.73Å; V167-Q230 HydrophobicContact CG2-CG 4.23Å |
| 168 | E | 95.8 | Very high | 94.9 | Very high | 122 Ų | 122 | 65 Ų | 65 | 57% | 0.57 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -59.3 | -47 | 176.7 | -68.6 | 174.1 | 173.9 | 0 | 0 | 111.7 | L164 W165 Q170 M171 V172 | L164-E168 PolarHBondContact O-N 3.14Å; W165-E168 PolarHBondContact O-N 3.48Å; E168-Q170 PolarHBondContact O-N 3.2Å; E168-M171 WeakPolarHBondContact O-CB 3.44Å; E168-M171 PolarHBondContact O-N 2.75Å; E168-V172 PolarHBondContact O-N 3.14Å |
| 169 | Q | 95.2 | Very high | 95.1 | Very high | 94 Ų | 94 | 62.8 Ų | 62.8 | 44% | 0.439 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.9 | -44.9 | 176.7 | -170.3 | -174.1 | 18 | 0 | 0 | 111.8 | W165 M171 V172 I173 | W165-Q169 WeakPolarHBondContact O-CB 3.47Å; W165-Q169 PolarHBondContact O-N 3.24Å; Q169-M171 VanDerWaalsContact C-N 3.34Å; Q169-M171 PolarHBondContact O-N 3.25Å; Q169-V172 PolarHBondContact O-N 3.24Å; Q169-I173 HydrophobicContact CG-CD1 4.41Å; Q169-I173 WeakPolarHBondContact O-CG1 3.45Å; Q169-I173 PolarHBondContact O-N 2.78Å; Q169-I173 VanDerWaalsContact O-N 3.15Å |
| 170 | Q | 95.5 | Very high | 95.4 | Very high | 10 Ų | 10 | 64.4 Ų | 64.4 | 5% | 0.047 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -69.5 | -30.6 | 178.9 | -172.7 | 63.6 | 22.9 | 0 | 0 | 112.1 | Q166 V167 E168 I173 V174 A222 R225 L226 L229 | Q166-Q170 VanDerWaalsContact O-CB 3.3Å; Q166-Q170 WeakPolarHBondContact O-CB 3.32Å; Q166-Q170 PolarHBondContact O-N 3.35Å; V167-Q170 PolarHBondContact O-N 3.49Å; E168-Q170 PolarHBondContact O-N 3.2Å; Q170-I173 PolarHBondContact O-N 3.48Å; Q170-V174 HydrophobicContact CG-CG2 4.43Å; Q170-V174 WeakPolarHBondContact O-CB 3.5Å; Q170-V174 VanDerWaalsContact O-CG2 3.3Å; Q170-V174 WeakPolarHBondContact O-CG2 3.42Å; Q170-V174 PolarHBondContact O-N 2.88Å; Q170-A222 PolarHBondContact NE2-O 3.05Å; Q170-R225 HydrophobicContact CG-CG 4.46Å; Q170-L226 HydrophobicContact CB-CD1 4.19Å; Q170-L226 HydrophobicContact CG-CB 3.81Å; Q170-L226 HydrophobicContact CG-CD1 4.21Å; Q170-L229 HydrophobicContact CB-CD1 3.8Å; Q170-L229 HydrophobicContact CG-CD1 4.08Å |
| 171 | M | 97.1 | Very high | 95.4 | Very high | 88 Ų | 88 | 64.2 Ų | 64.2 | 43% | 0.433 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 171.2 | -78.8 | -169 | 176.7 | 0 | 0 | 112 | V167 E168 Q169 V174 S175 L226 Q230 | V167-M171 HydrophobicContact CG1-CE 4.05Å; V167-M171 WeakPolarHBondContact O-CG 3.43Å; V167-M171 PolarHBondContact O-N 2.82Å; E168-M171 WeakPolarHBondContact O-CB 3.44Å; E168-M171 PolarHBondContact O-N 2.75Å; Q169-M171 VanDerWaalsContact C-N 3.34Å; Q169-M171 PolarHBondContact O-N 3.25Å; M171-V174 PolarHBondContact O-N 3.23Å; M171-S175 WeakPolarHBondContact O-CB 3.49Å; M171-S175 PolarHBondContact O-N 3.34Å; M171-L226 HydrophobicContact CE-CD1 4.47Å; M171-L226 HydrophobicContact CG-CD1 3.68Å; M171-L226 HydrophobicContact CG-CD2 3.9Å; M171-L226 HydrophobicContact CG-CG 4.46Å; M171-Q230 VanDerWaalsContact CE-NE2 3.31Å |
| 172 | V | 96.3 | Very high | 95.4 | Very high | 84 Ų | 84 | 61.1 Ų | 61.1 | 51% | 0.509 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.3 | -49.6 | 174.7 | 177.4 | 0 | 0 | 0 | 0 | 110.2 | E168 Q169 V174 S175 D176 | E168-V172 PolarHBondContact O-N 3.14Å; Q169-V172 PolarHBondContact O-N 3.24Å; V172-V174 VanDerWaalsContact C-N 3.32Å; V172-V174 PolarHBondContact O-N 2.87Å; V172-S175 CarbonylContact O-C 3.57Å; V172-S175 WeakPolarHBondContact O-CA 3.31Å; V172-S175 WeakPolarHBondContact O-CB 3.34Å; V172-S175 PolarHBondContact O-N 3.21Å; V172-D176 PolarHBondContact O-N 3.2Å |
| 173 | I | 94.1 | Very high | 95.5 | Very high | 41 Ų | 41 | 59.6 Ų | 59.6 | 21% | 0.21 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.2 | -42.3 | 178.4 | -65.7 | 166.8 | 0 | 0 | 0 | 111.8 | Q169 Q170 D176 I177 | Q169-I173 HydrophobicContact CG-CD1 4.41Å; Q169-I173 WeakPolarHBondContact O-CG1 3.45Å; Q169-I173 PolarHBondContact O-N 2.78Å; Q169-I173 VanDerWaalsContact O-N 3.15Å; Q170-I173 PolarHBondContact O-N 3.48Å; I173-D176 PolarHBondContact O-N 3.24Å; I173-I177 HydrophobicContact CG2-CD1 3.87Å; I173-I177 WeakPolarHBondContact O-CB 3.2Å; I173-I177 VanDerWaalsContact O-CG1 3.3Å; I173-I177 WeakPolarHBondContact O-CG1 3.43Å; I173-I177 PolarHBondContact O-N 3.21Å |
| 174 | V | 96.5 | Very high | 95.6 | Very high | 6 Ų | 6 | 59.8 Ų | 59.8 | 4% | 0.036 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.9 | -35.3 | 176.5 | 167.6 | 0 | 0 | 0 | 0 | 112 | Q170 M171 V172 K178 A222 L226 | Q170-V174 HydrophobicContact CG-CG2 4.43Å; Q170-V174 WeakPolarHBondContact O-CB 3.5Å; Q170-V174 VanDerWaalsContact O-CG2 3.3Å; Q170-V174 WeakPolarHBondContact O-CG2 3.42Å; Q170-V174 PolarHBondContact O-N 2.88Å; M171-V174 PolarHBondContact O-N 3.23Å; V172-V174 VanDerWaalsContact C-N 3.32Å; V172-V174 PolarHBondContact O-N 2.87Å; V174-K178 HydrophobicContact CG1-CD 4Å; V174-K178 VanDerWaalsContact CG1-NZ 3.28Å; V174-K178 WeakPolarHBondContact O-CB 3.35Å; V174-K178 WeakPolarHBondContact O-CD 3.44Å; V174-K178 WeakPolarHBondContact O-CG 3.43Å; V174-K178 PolarHBondContact O-N 2.74Å; V174-K178 VanDerWaalsContact O-N 3.09Å; V174-A222 HydrophobicContact CG2-CB 3.85Å; V174-A222 WeakPolarHBondContact CG2-O 3.4Å; V174-L226 HydrophobicContact CB-CD2 4.29Å; V174-L226 HydrophobicContact CG1-CD2 4.31Å; V174-L226 HydrophobicContact CG2-CB 4.21Å; V174-L226 HydrophobicContact CG2-CD2 4.12Å |
| 175 | S | 95.9 | Very high | 95.6 | Very high | 74 Ų | 74 | 62 Ų | 62 | 52% | 0.517 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.6 | -45.2 | 174.1 | -172.1 | 0 | 0 | 0 | 0 | 111.6 | M171 V172 I177 K178 S179 | M171-S175 WeakPolarHBondContact O-CB 3.49Å; M171-S175 PolarHBondContact O-N 3.34Å; V172-S175 CarbonylContact O-C 3.57Å; V172-S175 WeakPolarHBondContact O-CA 3.31Å; V172-S175 WeakPolarHBondContact O-CB 3.34Å; V172-S175 PolarHBondContact O-N 3.21Å; S175-I177 PolarHBondContact O-N 3.49Å; S175-K178 PolarHBondContact O-N 2.71Å; S175-S179 PolarHBondContact O-N 3.29Å |
| 176 | D | 94.8 | Very high | 95.6 | Very high | 85 Ų | 85 | 60.7 Ų | 60.7 | 46% | 0.455 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.3 | -46.8 | 177.5 | -71.7 | -10.4 | 0 | 0 | 0 | 110.8 | V172 I173 K178 S179 Q180 | V172-D176 PolarHBondContact O-N 3.2Å; I173-D176 PolarHBondContact O-N 3.24Å; D176-K178 PolarHBondContact O-N 3.11Å; D176-S179 WeakPolarHBondContact O-CB 3.31Å; D176-S179 PolarHBondContact O-N 3.37Å; D176-S179 PolarHBondContact O-OG 3.25Å; D176-Q180 PolarHBondContact O-N 3.41Å |
| 177 | I | 96.7 | Very high | 95.6 | Very high | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.4 | -48.3 | 175 | -70.3 | 165.7 | 0 | 0 | 0 | 110.7 | W142 Q146 I173 S175 S179 Q180 Y215 V218 R219 A222 | W142-I177 HydrophobicContact CH2-CB 4.3Å; W142-I177 HydrophobicContact CH2-CG1 4.09Å; W142-I177 HydrophobicContact CH2-CG2 4.21Å; W142-I177 HydrophobicContact CZ2-CB 4.42Å; W142-I177 HydrophobicContact CZ2-CG1 3.94Å; Q146-I177 HydrophobicContact CG-CG1 4.3Å; I173-I177 HydrophobicContact CG2-CD1 3.87Å; I173-I177 WeakPolarHBondContact O-CB 3.2Å; I173-I177 VanDerWaalsContact O-CG1 3.3Å; I173-I177 WeakPolarHBondContact O-CG1 3.43Å; I173-I177 PolarHBondContact O-N 3.21Å; S175-I177 PolarHBondContact O-N 3.49Å; I177-S179 VanDerWaalsContact C-N 3.26Å; I177-S179 PolarHBondContact O-N 3.15Å; I177-Q180 PolarHBondContact O-N 3.28Å; I177-Q180 VanDerWaalsContact O-N 3.1Å; I177-Y215 HydrophobicContact CG2-CE2 3.99Å; I177-Y215 WeakPolarHBondContact O-CE2 3.44Å; I177-Y215 PolarHBondContact O-OH 2.75Å; I177-Y215 VanDerWaalsContact O-OH 3.07Å; I177-V218 HydrophobicContact CD1-CG1 4.15Å; I177-V218 HydrophobicContact CG2-CG1 4.42Å; I177-R219 HydrophobicContact CG2-CB 4.04Å; I177-R219 HydrophobicContact CG2-CG 4.4Å; I177-A222 HydrophobicContact CD1-CB 3.61Å |
| 178 | K | 95.8 | Very high | 95.6 | Very high | 95 Ų | 95 | 60.3 Ų | 60.3 | 41% | 0.413 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.1 | -32.3 | 177.9 | -74.8 | 168.6 | -175.9 | 170.8 | 0 | 113.1 | V174 S175 D176 Q180 A181 | V174-K178 HydrophobicContact CG1-CD 4Å; V174-K178 VanDerWaalsContact CG1-NZ 3.28Å; V174-K178 WeakPolarHBondContact O-CB 3.35Å; V174-K178 WeakPolarHBondContact O-CD 3.44Å; V174-K178 WeakPolarHBondContact O-CG 3.43Å; V174-K178 PolarHBondContact O-N 2.74Å; V174-K178 VanDerWaalsContact O-N 3.09Å; S175-K178 PolarHBondContact O-N 2.71Å; D176-K178 PolarHBondContact O-N 3.11Å; K178-Q180 PolarHBondContact O-N 3.5Å; K178-A181 WeakPolarHBondContact O-CB 3.42Å; K178-A181 PolarHBondContact O-N 3.08Å |
| 179 | S | 94.9 | Very high | 95.5 | Very high | 63 Ų | 63 | 60.2 Ų | 60.2 | 44% | 0.441 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.4 | -29.8 | 176.3 | 79.7 | 0 | 0 | 0 | 0 | 113.2 | S175 D176 I177 A181 | S175-S179 PolarHBondContact O-N 3.29Å; D176-S179 WeakPolarHBondContact O-CB 3.31Å; D176-S179 PolarHBondContact O-N 3.37Å; D176-S179 PolarHBondContact O-OG 3.25Å; I177-S179 VanDerWaalsContact C-N 3.26Å; I177-S179 PolarHBondContact O-N 3.15Å; S179-A181 PolarHBondContact O-N 3.21Å |
| 180 | Q | 95.9 | Very high | 95.4 | Very high | 54 Ų | 54 | 57.6 Ų | 57.6 | 25% | 0.252 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -5.9 | -179.1 | -59.7 | -51.2 | -65.1 | 0 | 0 | 113.7 | F139 W142 D176 I177 K178 V182 L183 L184 | F139-Q180 HydrophobicContact CE2-CB 4.14Å; W142-Q180 HydrophobicContact CD2-CG 4.37Å; W142-Q180 HydrophobicContact CH2-CB 3.7Å; W142-Q180 HydrophobicContact CH2-CG 3.64Å; W142-Q180 HydrophobicContact CZ2-CB 4.04Å; W142-Q180 HydrophobicContact CZ2-CG 3.42Å; W142-Q180 VanDerWaalsContact CZ2-CG 3.42Å; W142-Q180 HydrophobicContact CZ3-CB 4.03Å; W142-Q180 HydrophobicContact CZ3-CG 4.18Å; D176-Q180 PolarHBondContact O-N 3.41Å; I177-Q180 PolarHBondContact O-N 3.28Å; I177-Q180 VanDerWaalsContact O-N 3.1Å; K178-Q180 PolarHBondContact O-N 3.5Å; Q180-V182 PolarHBondContact O-N 2.69Å; Q180-L183 PolarHBondContact O-N 3.44Å; Q180-L183 VanDerWaalsContact O-N 3.09Å; Q180-L184 PolarHBondContact O-N 3.49Å |
| 181 | A | 95 | Very high | 95.4 | Very high | 23 Ų | 23 | 57.2 Ų | 57.2 | 19% | 0.19 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -53.6 | -39.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K178 S179 L183 L184 E185 Y215 | K178-A181 WeakPolarHBondContact O-CB 3.42Å; K178-A181 PolarHBondContact O-N 3.08Å; S179-A181 PolarHBondContact O-N 3.21Å; A181-L183 VanDerWaalsContact C-N 3.31Å; A181-L183 PolarHBondContact O-N 3.42Å; A181-L184 WeakPolarHBondContact O-CB 3.45Å; A181-L184 PolarHBondContact O-N 3.27Å; A181-E185 WeakPolarHBondContact O-CB 3.05Å; A181-E185 WeakPolarHBondContact O-CG 3.44Å; A181-E185 PolarHBondContact O-N 3.47Å; A181-Y215 HydrophobicContact CB-CE1 4.45Å |
| 182 | V | 94.4 | Very high | 95.2 | Very high | 103 Ų | 103 | 55.1 Ų | 55.1 | 62% | 0.624 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -67.8 | -32 | -179.5 | -174.7 | 0 | 0 | 0 | 0 | 111.9 | Q180 R186 | Q180-V182 PolarHBondContact O-N 2.69Å; V182-R186 PolarHBondContact O-N 3.39Å |
| 183 | L | 94.8 | Very high | 95 | Very high | 49 Ų | 49 | 53.2 Ų | 53.2 | 26% | 0.257 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -73.9 | -39.3 | 174.1 | 180 | 55.5 | 0 | 0 | 0 | 111 | F139 Q180 A181 R186 L187 | F139-L183 HydrophobicContact CD2-CD2 3.85Å; F139-L183 HydrophobicContact CD2-CG 3.98Å; F139-L183 HydrophobicContact CE2-CG 4.43Å; Q180-L183 PolarHBondContact O-N 3.44Å; Q180-L183 VanDerWaalsContact O-N 3.09Å; A181-L183 VanDerWaalsContact C-N 3.31Å; A181-L183 PolarHBondContact O-N 3.42Å; L183-R186 VanDerWaalsContact CD1-NH2 3.29Å; L183-R186 PolarHBondContact O-N 3.45Å; L183-L187 HydrophobicContact CD1-CD1 4.42Å; L183-L187 HydrophobicContact CD1-CG 4.4Å; L183-L187 HydrophobicContact CG-CD1 4.24Å; L183-L187 WeakPolarHBondContact O-CB 3.12Å; L183-L187 WeakPolarHBondContact O-CG 3.28Å; L183-L187 PolarHBondContact O-N 3.19Å |
| 184 | L | 96.6 | Very high | 94.9 | Very high | 7 Ų | 7 | 51.2 Ų | 51.2 | 4% | 0.037 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.3 | -50.1 | 173 | 174.8 | 62.4 | 0 | 0 | 0 | 111.9 | F139 Q180 A181 R186 L187 L188 L211 Y215 | F139-L184 HydrophobicContact CE1-CD1 4.15Å; F139-L184 HydrophobicContact CE2-CB 4.27Å; F139-L184 HydrophobicContact CZ-CB 3.83Å; F139-L184 HydrophobicContact CZ-CD1 4.23Å; F139-L184 HydrophobicContact CZ-CG 4.48Å; Q180-L184 PolarHBondContact O-N 3.49Å; A181-L184 WeakPolarHBondContact O-CB 3.45Å; A181-L184 PolarHBondContact O-N 3.27Å; L184-R186 VanDerWaalsContact C-N 3.29Å; L184-R186 PolarHBondContact O-N 3.17Å; L184-L187 PolarHBondContact O-N 3.24Å; L184-L187 VanDerWaalsContact O-N 3.08Å; L184-L188 HydrophobicContact CD1-CD1 3.93Å; L184-L188 HydrophobicContact CD1-CD2 4.38Å; L184-L188 HydrophobicContact CD1-CG 3.96Å; L184-L188 HydrophobicContact CG-CD1 3.88Å; L184-L188 HydrophobicContact CG-CG 4.33Å; L184-L188 VanDerWaalsContact O-CG 3.31Å; L184-L188 WeakPolarHBondContact O-CG 3.36Å; L184-L188 PolarHBondContact O-N 3.29Å; L184-L211 HydrophobicContact CD1-CD2 3.84Å; L184-L211 HydrophobicContact CD1-CG 3.66Å; L184-Y215 HydrophobicContact CD2-CD1 3.32Å; L184-Y215 HydrophobicContact CD2-CD2 4.45Å; L184-Y215 HydrophobicContact CD2-CE1 4.04Å; L184-Y215 HydrophobicContact CD2-CG 3.57Å |
| 185 | E | 95.6 | Very high | 94.7 | Very high | 119 Ų | 119 | 53.8 Ų | 53.8 | 56% | 0.556 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -54.4 | -47.4 | 178.3 | -75.4 | 168.1 | -177.3 | 0 | 0 | 110.7 | A181 L187 L188 D189 | A181-E185 WeakPolarHBondContact O-CB 3.05Å; A181-E185 WeakPolarHBondContact O-CG 3.44Å; A181-E185 PolarHBondContact O-N 3.47Å; E185-L187 PolarHBondContact O-N 3.45Å; E185-L188 PolarHBondContact O-N 2.74Å; E185-D189 PolarHBondContact O-N 3.35Å |
| 186 | R | 95.4 | Very high | 94.5 | Very high | 121 Ų | 121 | 54.6 Ų | 54.6 | 46% | 0.457 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 175 | -174.8 | 175.9 | 68.7 | 106.7 | -2.1 | 113.2 | V182 L183 L184 L188 D189 E190 | V182-R186 PolarHBondContact O-N 3.39Å; L183-R186 VanDerWaalsContact CD1-NH2 3.29Å; L183-R186 PolarHBondContact O-N 3.45Å; L184-R186 VanDerWaalsContact C-N 3.29Å; L184-R186 PolarHBondContact O-N 3.17Å; R186-L188 VanDerWaalsContact C-N 3.31Å; R186-L188 PolarHBondContact O-N 3.5Å; R186-D189 PolarHBondContact O-N 3.35Å; R186-E190 WeakPolarHBondContact CD-OE1 3.46Å; R186-E190 HydrophobicContact CG-CG 4.27Å; R186-E190 WeakPolarHBondContact CG-OE1 3.42Å; R186-E190 IonicContact CZ-OE1 4Å; R186-E190 IonicContact NE-OE1 3.23Å; R186-E190 IonicContact NH1-OE1 2.7Å; R186-E190 PolarHBondContact NH1-OE1 3.48Å; R186-E190 IonicContact NH1-OE2 2.62Å; R186-E190 WeakPolarHBondContact O-CB 3.48Å; R186-E190 VanDerWaalsContact O-CG 3.3Å; R186-E190 WeakPolarHBondContact O-CG 3.48Å; R186-E190 PolarHBondContact O-N 3.32Å |
| 187 | L | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.7 | -34.2 | 176.7 | -76.9 | 170.4 | 0 | 0 | 0 | 112.2 | Y132 A135 F139 L183 L184 E185 A191 | Y132-L187 HydrophobicContact CD2-CD2 3.98Å; Y132-L187 HydrophobicContact CE2-CB 4.47Å; Y132-L187 HydrophobicContact CE2-CD2 3.86Å; Y132-L187 WeakPolarHBondContact CE2-O 3.08Å; A135-L187 HydrophobicContact CB-CD2 3.81Å; F139-L187 HydrophobicContact CB-CD1 3.76Å; F139-L187 HydrophobicContact CD1-CD1 4.25Å; F139-L187 HydrophobicContact CD2-CD1 4.16Å; F139-L187 HydrophobicContact CG-CD1 3.82Å; L183-L187 HydrophobicContact CD1-CD1 4.42Å; L183-L187 HydrophobicContact CD1-CG 4.4Å; L183-L187 HydrophobicContact CG-CD1 4.24Å; L183-L187 WeakPolarHBondContact O-CB 3.12Å; L183-L187 WeakPolarHBondContact O-CG 3.28Å; L183-L187 PolarHBondContact O-N 3.19Å; L184-L187 PolarHBondContact O-N 3.24Å; L184-L187 VanDerWaalsContact O-N 3.08Å; E185-L187 PolarHBondContact O-N 3.45Å; L187-A191 WeakPolarHBondContact O-CB 3.46Å; L187-A191 PolarHBondContact O-N 3.33Å |
| 188 | L | 95.8 | Very high | 93.9 | Very high | 27 Ų | 27 | 56.1 Ų | 56.1 | 14% | 0.141 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.9 | -43.4 | 175.9 | -65.6 | 170 | 0 | 0 | 0 | 111.2 | L184 E185 R186 A191 A192 Q208 L211 Q212 | L184-L188 HydrophobicContact CD1-CD1 3.93Å; L184-L188 HydrophobicContact CD1-CD2 4.38Å; L184-L188 HydrophobicContact CD1-CG 3.96Å; L184-L188 HydrophobicContact CG-CD1 3.88Å; L184-L188 HydrophobicContact CG-CG 4.33Å; L184-L188 VanDerWaalsContact O-CG 3.31Å; L184-L188 WeakPolarHBondContact O-CG 3.36Å; L184-L188 PolarHBondContact O-N 3.29Å; E185-L188 PolarHBondContact O-N 2.74Å; R186-L188 VanDerWaalsContact C-N 3.31Å; R186-L188 PolarHBondContact O-N 3.5Å; L188-A191 PolarHBondContact O-N 3.41Å; L188-A192 WeakPolarHBondContact O-CB 3.26Å; L188-A192 PolarHBondContact O-N 3.14Å; L188-Q208 HydrophobicContact CD2-CB 3.72Å; L188-Q208 HydrophobicContact CD2-CG 4.15Å; L188-Q208 WeakPolarHBondContact CD2-O 3.45Å; L188-L211 HydrophobicContact CD2-CD2 4.48Å; L188-Q212 HydrophobicContact CD1-CB 4.42Å; L188-Q212 HydrophobicContact CD1-CG 4.49Å |
| 189 | D | 94.6 | Very high | 93.5 | Very high | 119 Ų | 119 | 58.5 Ų | 58.5 | 64% | 0.636 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.6 | -45.5 | 174.1 | -80.2 | -18.7 | 0 | 0 | 0 | 112.1 | E185 R186 A192 A193 | E185-D189 PolarHBondContact O-N 3.35Å; R186-D189 PolarHBondContact O-N 3.35Å; D189-A192 PolarHBondContact O-N 3.13Å; D189-A193 WeakPolarHBondContact O-CB 3.44Å; D189-A193 PolarHBondContact O-N 3.16Å |
| 190 | E | 93.5 | Very high | 93.3 | Very high | 40 Ų | 40 | 56.6 Ų | 56.6 | 19% | 0.187 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63 | -41.8 | 175.9 | -74.1 | 173.2 | -168.2 | 0 | 0 | 111.1 | Y132 R186 A193 L194 | Y132-E190 HydrophobicContact CD2-CB 3.97Å; R186-E190 WeakPolarHBondContact CD-OE1 3.46Å; R186-E190 HydrophobicContact CG-CG 4.27Å; R186-E190 WeakPolarHBondContact CG-OE1 3.42Å; R186-E190 IonicContact CZ-OE1 4Å; R186-E190 IonicContact NE-OE1 3.23Å; R186-E190 IonicContact NH1-OE1 2.7Å; R186-E190 PolarHBondContact NH1-OE1 3.48Å; R186-E190 IonicContact NH1-OE2 2.62Å; R186-E190 WeakPolarHBondContact O-CB 3.48Å; R186-E190 VanDerWaalsContact O-CG 3.3Å; R186-E190 WeakPolarHBondContact O-CG 3.48Å; R186-E190 PolarHBondContact O-N 3.32Å; E190-A193 PolarHBondContact O-N 3.3Å; E190-L194 WeakPolarHBondContact O-CB 3.43Å; E190-L194 WeakPolarHBondContact O-CG 3.27Å; E190-L194 PolarHBondContact O-N 3.44Å |
| 191 | A | 93.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.008 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y132 L187 L188 L194 H195 V203 Q208 | Y132-A191 HydrophobicContact CE2-CB 3.87Å; L187-A191 WeakPolarHBondContact O-CB 3.46Å; L187-A191 PolarHBondContact O-N 3.33Å; L188-A191 PolarHBondContact O-N 3.41Å; A191-L194 PolarHBondContact O-N 3.38Å; A191-H195 WeakPolarHBondContact O-CB 3.28Å; A191-H195 PolarHBondContact O-N 3.02Å; A191-V203 HydrophobicContact CB-CB 4.32Å; A191-Q208 HydrophobicContact CB-CG 3.85Å |
| 192 | A | 93.6 | Very high | 92.6 | Very high | 44 Ų | 44 | 60.1 Ų | 60.1 | 36% | 0.364 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.8 | -41.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L188 D189 S196 | L188-A192 WeakPolarHBondContact O-CB 3.26Å; L188-A192 PolarHBondContact O-N 3.14Å; D189-A192 PolarHBondContact O-N 3.13Å; A192-S196 PolarHBondContact O-N 3.07Å; A192-S196 VanDerWaalsContact O-N 3.16Å |
| 193 | A | 92.4 | Very high | 92.4 | Very high | 44 Ų | 44 | 55.3 Ų | 55.3 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D189 E190 S196 | D189-A193 WeakPolarHBondContact O-CB 3.44Å; D189-A193 PolarHBondContact O-N 3.16Å; E190-A193 PolarHBondContact O-N 3.3Å; A193-S196 PolarHBondContact O-OG 3.33Å |
| 194 | L | 92.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.9 | -50.7 | 174.5 | -82.2 | 165 | 0 | 0 | 0 | 112 | W129 Y132 E190 A191 S196 R197 I198 | W129-L194 HydrophobicContact CB-CD2 3.98Å; Y132-L194 VanDerWaalsContact CB-CD1 3.42Å; Y132-L194 HydrophobicContact CD1-CD1 3.78Å; Y132-L194 HydrophobicContact CD2-CD1 4.13Å; Y132-L194 HydrophobicContact CG-CD1 3.47Å; Y132-L194 VanDerWaalsContact CG-CD1 3.47Å; E190-L194 WeakPolarHBondContact O-CB 3.43Å; E190-L194 WeakPolarHBondContact O-CG 3.27Å; E190-L194 PolarHBondContact O-N 3.44Å; A191-L194 PolarHBondContact O-N 3.38Å; L194-S196 PolarHBondContact O-N 3.23Å; L194-R197 PolarHBondContact O-N 2.98Å; L194-I198 HydrophobicContact CB-CD1 4.19Å; L194-I198 WeakPolarHBondContact O-CG1 3.35Å; L194-I198 PolarHBondContact O-N 3.47Å |
| 195 | H | 91.5 | Very high | 92 | Very high | 60 Ų | 60 | 57 Ų | 57 | 28% | 0.278 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -55.2 | -37.9 | -179.5 | -171.3 | 67.7 | 0 | 0 | 0 | 111.9 | A191 R197 I198 E199 D200 V203 | A191-H195 WeakPolarHBondContact O-CB 3.28Å; A191-H195 PolarHBondContact O-N 3.02Å; H195-R197 PolarHBondContact O-N 3.42Å; H195-I198 PolarHBondContact O-N 3.11Å; H195-E199 WeakPolarHBondContact O-CA 3.06Å; H195-E199 PolarHBondContact O-N 3.39Å; H195-D200 PolarHBondContact CE1-O 3.32Å; H195-D200 PolarHBondContact ND1-O 3.27Å; H195-V203 HydrophobicContact CB-CB 4.48Å; H195-V203 HydrophobicContact CB-CG2 3.77Å |
| 196 | S | 90.8 | Very high | 92 | Very high | 90 Ų | 90 | 57.6 Ų | 57.6 | 63% | 0.629 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.5 | -10.7 | 175.2 | 79.4 | 0 | 0 | 0 | 0 | 115.7 | A192 A193 L194 | A192-S196 PolarHBondContact O-N 3.07Å; A192-S196 VanDerWaalsContact O-N 3.16Å; A193-S196 PolarHBondContact O-OG 3.33Å; L194-S196 PolarHBondContact O-N 3.23Å |
| 197 | R | 89.1 | Confident | 91.8 | Very high | 120 Ų | 120 | 53 Ų | 53 | 45% | 0.453 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -118.7 | -23.7 | -179.5 | -57.1 | -176 | -171.8 | -153.7 | 5.3 | 114.1 | T47 L194 H195 | T47-R197 CarbonylContact C-O 3.58Å; T47-R197 WeakPolarHBondContact CB-O 3.46Å; T47-R197 PolarHBondContact OG1-O 3.48Å; L194-R197 PolarHBondContact O-N 2.98Å; H195-R197 PolarHBondContact O-N 3.42Å |
| 198 | I | 90.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -115 | -19 | -174.8 | 73.1 | -168.6 | 0 | 0 | 0 | 113.9 | A48 G49 V125 W129 L194 H195 D200 V203 | A48-I198 CarbonylContact C-O 3.52Å; A48-I198 WeakPolarHBondContact CA-O 3.45Å; G49-I198 PolarHBondContact N-O 3.12Å; V125-I198 HydrophobicContact CG1-CG2 3.42Å; V125-I198 VanDerWaalsContact CG1-CG2 3.42Å; W129-I198 HydrophobicContact CD2-CD1 3.66Å; W129-I198 HydrophobicContact CE3-CD1 3.77Å; W129-I198 HydrophobicContact CE3-CG2 4.26Å; W129-I198 HydrophobicContact CG-CD1 4.27Å; W129-I198 HydrophobicContact CH2-CD1 3.78Å; W129-I198 HydrophobicContact CH2-CG1 4.43Å; W129-I198 HydrophobicContact CZ2-CD1 3.7Å; W129-I198 HydrophobicContact CZ3-CB 4.25Å; W129-I198 HydrophobicContact CZ3-CD1 3.82Å; W129-I198 HydrophobicContact CZ3-CG1 4.46Å; W129-I198 HydrophobicContact CZ3-CG2 4.33Å; L194-I198 HydrophobicContact CB-CD1 4.19Å; L194-I198 WeakPolarHBondContact O-CG1 3.35Å; L194-I198 PolarHBondContact O-N 3.47Å; H195-I198 PolarHBondContact O-N 3.11Å; I198-D200 HydrophobicContact CD1-CB 4.27Å; I198-D200 HydrophobicContact CG1-CB 3.97Å; I198-D200 PolarHBondContact O-N 3.41Å; I198-V203 HydrophobicContact CD1-CG2 3.79Å; I198-V203 HydrophobicContact CG1-CG2 4.18Å |
| 199 | E | 88.4 | Confident | 91.7 | Very high | 144 Ų | 144 | 58.2 Ų | 58.2 | 67% | 0.673 | 33% | 0.326 | S | S | * | . | trans | 55.4 | 13.3 | -179.6 | -54.8 | -173.8 | 155.8 | 0 | 0 | 115.3 | A48 H195 | A48-E199 HydrophobicContact CB-CG 4.42Å; H195-E199 WeakPolarHBondContact O-CA 3.06Å; H195-E199 PolarHBondContact O-N 3.39Å | ||
| 200 | D | 89.2 | Confident | 91.7 | Very high | 23 Ų | 23 | 59.9 Ų | 59.9 | 12% | 0.123 | 32% | 0.323 | C | S | . | . | trans | -77.2 | 138.6 | -174.3 | -167.4 | -84.6 | 0 | 0 | 0 | 112.6 | P50 W129 H195 I198 S202 V203 | P50-D200 VanDerWaalsContact CA-OD2 3.25Å; P50-D200 WeakPolarHBondContact CA-OD2 3.3Å; W129-D200 HydrophobicContact CH2-CB 3.78Å; W129-D200 HydrophobicContact CZ2-CB 4.03Å; H195-D200 PolarHBondContact CE1-O 3.32Å; H195-D200 PolarHBondContact ND1-O 3.27Å; I198-D200 HydrophobicContact CD1-CB 4.27Å; I198-D200 HydrophobicContact CG1-CB 3.97Å; I198-D200 PolarHBondContact O-N 3.41Å; D200-S202 VanDerWaalsContact C-N 3.25Å; D200-S202 PolarHBondContact O-N 2.76Å; D200-S202 VanDerWaalsContact OD1-CB 3.28Å; D200-S202 WeakPolarHBondContact OD1-CB 3.29Å; D200-S202 PolarHBondContact OD1-N 2.87Å; D200-S202 PolarHBondContact OD1-OG 3.5Å; D200-V203 PolarHBondContact O-N 3.26Å | ||
| 201 | P | 88.5 | Confident | 91.8 | Very high | 92 Ų | 92 | 58.1 Ų | 58.1 | 60% | 0.597 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -60.4 | -22.4 | 177.2 | -26.2 | 36.1 | 0 | 0 | 0 | 116.1 | V203 D204 | P201-V203 PolarHBondContact O-N 2.89Å; P201-D204 PolarHBondContact O-N 3.42Å |
| 202 | S | 87.8 | Confident | 91.9 | Very high | 60 Ų | 60 | 63 Ų | 63 | 42% | 0.42 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -67.6 | -19.5 | -177.3 | 80 | 0 | 0 | 0 | 0 | 113.5 | D200 A207 | D200-S202 VanDerWaalsContact C-N 3.25Å; D200-S202 PolarHBondContact O-N 2.76Å; D200-S202 VanDerWaalsContact OD1-CB 3.28Å; D200-S202 WeakPolarHBondContact OD1-CB 3.29Å; D200-S202 PolarHBondContact OD1-N 2.87Å; D200-S202 PolarHBondContact OD1-OG 3.5Å; S202-A207 WeakPolarHBondContact O-CB 3.39Å |
| 203 | V | 90.8 | Very high | 92 | Very high | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.006 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -121.7 | 16 | 177.7 | -65.2 | 0 | 0 | 0 | 0 | 112.2 | Y132 A191 H195 I198 D200 P201 Q208 | Y132-V203 HydrophobicContact CD1-CG1 4.26Å; Y132-V203 HydrophobicContact CE1-CG1 3.53Å; A191-V203 HydrophobicContact CB-CB 4.32Å; H195-V203 HydrophobicContact CB-CB 4.48Å; H195-V203 HydrophobicContact CB-CG2 3.77Å; I198-V203 HydrophobicContact CD1-CG2 3.79Å; I198-V203 HydrophobicContact CG1-CG2 4.18Å; D200-V203 PolarHBondContact O-N 3.26Å; P201-V203 PolarHBondContact O-N 2.89Å; V203-Q208 PolarHBondContact O-NE2 2.9Å |
| 204 | D | 91 | Very high | 92.2 | Very high | 26 Ų | 26 | 66.5 Ų | 66.5 | 14% | 0.139 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -66 | 169.5 | 179 | 92.7 | -14 | 0 | 0 | 0 | 112.5 | P201 K206 A207 Q208 | P201-D204 PolarHBondContact O-N 3.42Å; D204-K206 PolarHBondContact O-N 3.17Å; D204-K206 VanDerWaalsContact OD1-CA 3.31Å; D204-K206 WeakPolarHBondContact OD1-CA 3.5Å; D204-K206 VanDerWaalsContact OD1-CB 3.22Å; D204-K206 WeakPolarHBondContact OD1-CB 3.32Å; D204-K206 PolarHBondContact OD1-N 3.21Å; D204-K206 IonicContact OD2-NZ 2.73Å; D204-K206 PolarHBondContact OD2-NZ 3.32Å; D204-A207 WeakPolarHBondContact O-CB 3.44Å; D204-A207 PolarHBondContact O-N 3.35Å; D204-A207 PolarHBondContact OD1-N 3.03Å; D204-Q208 WeakPolarHBondContact O-CG 3.46Å; D204-Q208 PolarHBondContact O-N 3.47Å |
| 205 | A | 92.8 | Very high | 92.4 | Very high | 67 Ų | 67 | 67 Ų | 67 | 55% | 0.554 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -57.6 | -20.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114 | Q209 | A205-Q209 VanDerWaalsContact O-CB 3.25Å; A205-Q209 WeakPolarHBondContact O-CB 3.44Å; A205-Q209 PolarHBondContact O-N 3.44Å |
| 206 | K | 93.9 | Very high | 92.7 | Very high | 130 Ų | 130 | 66.5 Ų | 66.5 | 57% | 0.565 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -85.5 | -35.1 | 176.4 | -51.9 | 168.8 | -167.1 | 125.7 | 0 | 111.5 | D204 Q209 R210 | D204-K206 PolarHBondContact O-N 3.17Å; D204-K206 VanDerWaalsContact OD1-CA 3.31Å; D204-K206 WeakPolarHBondContact OD1-CA 3.5Å; D204-K206 VanDerWaalsContact OD1-CB 3.22Å; D204-K206 WeakPolarHBondContact OD1-CB 3.32Å; D204-K206 PolarHBondContact OD1-N 3.21Å; D204-K206 IonicContact OD2-NZ 2.73Å; D204-K206 PolarHBondContact OD2-NZ 3.32Å; K206-Q209 PolarHBondContact O-N 2.85Å; K206-R210 VanDerWaalsContact O-CG 3.27Å; K206-R210 WeakPolarHBondContact O-CG 3.43Å; K206-R210 PolarHBondContact O-N 2.95Å |
| 207 | A | 91.5 | Very high | 93 | Very high | 24 Ų | 24 | 65.1 Ų | 65.1 | 20% | 0.198 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62 | -46.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | S202 D204 R210 L211 | S202-A207 WeakPolarHBondContact O-CB 3.39Å; D204-A207 WeakPolarHBondContact O-CB 3.44Å; D204-A207 PolarHBondContact O-N 3.35Å; D204-A207 PolarHBondContact OD1-N 3.03Å; A207-R210 PolarHBondContact O-N 3.46Å; A207-L211 PolarHBondContact O-N 3.31Å; A207-L211 VanDerWaalsContact O-N 3.14Å |
| 208 | Q | 93.9 | Very high | 93.3 | Very high | 38 Ų | 38 | 59.5 Ų | 59.5 | 18% | 0.178 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.4 | -48.5 | 172.8 | -68.6 | 172.7 | 32.7 | 0 | 0 | 112.1 | L188 A191 V203 D204 R210 L211 Q212 | L188-Q208 HydrophobicContact CD2-CB 3.72Å; L188-Q208 HydrophobicContact CD2-CG 4.15Å; L188-Q208 WeakPolarHBondContact CD2-O 3.45Å; A191-Q208 HydrophobicContact CB-CG 3.85Å; V203-Q208 PolarHBondContact O-NE2 2.9Å; D204-Q208 WeakPolarHBondContact O-CG 3.46Å; D204-Q208 PolarHBondContact O-N 3.47Å; Q208-R210 PolarHBondContact O-N 3.16Å; Q208-L211 PolarHBondContact O-N 3.17Å; Q208-Q212 PolarHBondContact O-N 3.18Å; Q208-Q212 VanDerWaalsContact O-N 3.12Å |
| 209 | Q | 95.4 | Very high | 93.6 | Very high | 100 Ų | 100 | 63.1 Ų | 63.1 | 47% | 0.467 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.8 | -45 | 177.7 | -179.6 | 178.8 | -10.9 | 0 | 0 | 112.4 | A205 K206 L211 Q212 E213 | A205-Q209 VanDerWaalsContact O-CB 3.25Å; A205-Q209 WeakPolarHBondContact O-CB 3.44Å; A205-Q209 PolarHBondContact O-N 3.44Å; K206-Q209 PolarHBondContact O-N 2.85Å; Q209-L211 PolarHBondContact O-N 3.38Å; Q209-Q212 WeakPolarHBondContact O-CB 3.16Å; Q209-Q212 PolarHBondContact O-N 3.24Å; Q209-E213 HydrophobicContact CG-CG 4.31Å; Q209-E213 WeakPolarHBondContact CG-OE1 3.43Å; Q209-E213 PolarHBondContact NE2-OE1 3.28Å; Q209-E213 WeakPolarHBondContact O-CG 3.23Å; Q209-E213 PolarHBondContact O-N 2.91Å |
| 210 | R | 95 | Very high | 94 | Very high | 154 Ų | 154 | 59.2 Ų | 59.2 | 58% | 0.581 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -59.6 | -48.3 | 178.2 | -73.6 | 167.8 | -171 | 151.4 | 2.4 | 111.9 | K206 A207 Q208 Q212 E213 D214 | K206-R210 VanDerWaalsContact O-CG 3.27Å; K206-R210 WeakPolarHBondContact O-CG 3.43Å; K206-R210 PolarHBondContact O-N 2.95Å; A207-R210 PolarHBondContact O-N 3.46Å; Q208-R210 PolarHBondContact O-N 3.16Å; R210-Q212 PolarHBondContact O-N 3.36Å; R210-E213 PolarHBondContact O-N 3.39Å; R210-E213 VanDerWaalsContact O-N 3.08Å; R210-D214 WeakPolarHBondContact O-CB 3.48Å; R210-D214 PolarHBondContact O-N 3.15Å |
| 211 | L | 94.9 | Very high | 94.3 | Very high | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.016 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.2 | -39 | 177.9 | -179.9 | 60.4 | 0 | 0 | 0 | 111.8 | Y136 F139 L143 L184 L188 A207 Q208 Q209 Y215 | Y136-L211 HydrophobicContact CD2-CD1 4.43Å; Y136-L211 HydrophobicContact CD2-CD2 3.95Å; Y136-L211 HydrophobicContact CE2-CD1 3.92Å; Y136-L211 HydrophobicContact CE2-CD2 3.95Å; Y136-L211 HydrophobicContact CE2-CG 4.39Å; F139-L211 HydrophobicContact CD1-CD1 3.77Å; F139-L211 HydrophobicContact CE1-CD1 3.72Å; F139-L211 HydrophobicContact CE1-CG 4.4Å; L143-L211 HydrophobicContact CD1-CD1 3.83Å; L184-L211 HydrophobicContact CD1-CD2 3.84Å; L184-L211 HydrophobicContact CD1-CG 3.66Å; L188-L211 HydrophobicContact CD2-CD2 4.48Å; A207-L211 PolarHBondContact O-N 3.31Å; A207-L211 VanDerWaalsContact O-N 3.14Å; Q208-L211 PolarHBondContact O-N 3.17Å; Q209-L211 PolarHBondContact O-N 3.38Å; L211-Y215 PolarHBondContact O-N 3.45Å; L211-Y215 VanDerWaalsContact O-N 3.17Å |
| 212 | Q | 96.5 | Very high | 94.7 | Very high | 102 Ų | 102 | 56.6 Ų | 56.6 | 48% | 0.477 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -69.1 | -41.8 | 175.3 | -168.1 | 176.1 | 31.6 | 0 | 0 | 112.4 | L188 Q208 Q209 R210 V216 | L188-Q212 HydrophobicContact CD1-CB 4.42Å; L188-Q212 HydrophobicContact CD1-CG 4.49Å; Q208-Q212 PolarHBondContact O-N 3.18Å; Q208-Q212 VanDerWaalsContact O-N 3.12Å; Q209-Q212 WeakPolarHBondContact O-CB 3.16Å; Q209-Q212 PolarHBondContact O-N 3.24Å; R210-Q212 PolarHBondContact O-N 3.36Å; Q212-V216 WeakPolarHBondContact O-CB 3.33Å; Q212-V216 VanDerWaalsContact O-CG2 3.23Å; Q212-V216 WeakPolarHBondContact O-CG2 3.45Å; Q212-V216 PolarHBondContact O-N 3.35Å |
| 213 | E | 96.8 | Very high | 95.1 | Very high | 103 Ų | 103 | 56.5 Ų | 56.5 | 48% | 0.481 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 175.8 | -74.1 | 172.5 | 174.3 | 0 | 0 | 111.9 | Q209 R210 Y215 V216 D217 | Q209-E213 HydrophobicContact CG-CG 4.31Å; Q209-E213 WeakPolarHBondContact CG-OE1 3.43Å; Q209-E213 PolarHBondContact NE2-OE1 3.28Å; Q209-E213 WeakPolarHBondContact O-CG 3.23Å; Q209-E213 PolarHBondContact O-N 2.91Å; R210-E213 PolarHBondContact O-N 3.39Å; R210-E213 VanDerWaalsContact O-N 3.08Å; E213-Y215 PolarHBondContact O-N 3.29Å; E213-V216 PolarHBondContact O-N 3.34Å; E213-D217 WeakPolarHBondContact O-CB 3.49Å; E213-D217 PolarHBondContact O-N 3.38Å |
| 214 | D | 95.4 | Very high | 95.3 | Very high | 59 Ų | 59 | 62.6 Ų | 62.6 | 32% | 0.316 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61 | -42.1 | 176.6 | -92.7 | -69.2 | 0 | 0 | 0 | 112.3 | L143 R147 R210 V218 | L143-D214 HydrophobicContact CD1-CB 4.25Å; R147-D214 IonicContact CZ-OD1 3.94Å; R147-D214 IonicContact NE-OD1 3.17Å; R147-D214 IonicContact NH2-OD1 3.72Å; R147-D214 PolarHBondContact NH2-OD1 3.41Å; R210-D214 WeakPolarHBondContact O-CB 3.48Å; R210-D214 PolarHBondContact O-N 3.15Å; D214-V218 WeakPolarHBondContact O-CG2 3.23Å; D214-V218 PolarHBondContact O-N 3.42Å; D214-V218 VanDerWaalsContact O-N 3.08Å |
| 215 | Y | 97.4 | Very high | 95.6 | Very high | 12 Ų | 12 | 63.7 Ų | 63.7 | 5% | 0.047 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 173.5 | 170.1 | -101 | 0 | 0 | 0 | 112.7 | F139 W142 L143 I177 A181 L184 L211 E213 D217 V218 R219 | F139-Y215 HydrophobicContact CZ-CD2 4.17Å; W142-Y215 HydrophobicContact CH2-CD2 4.45Å; W142-Y215 HydrophobicContact CH2-CE2 4.28Å; W142-Y215 HydrophobicContact CZ3-CD2 4.18Å; W142-Y215 HydrophobicContact CZ3-CE2 4.42Å; L143-Y215 HydrophobicContact CD2-CD2 4.22Å; I177-Y215 HydrophobicContact CG2-CE2 3.99Å; I177-Y215 WeakPolarHBondContact O-CE2 3.44Å; I177-Y215 PolarHBondContact O-OH 2.75Å; I177-Y215 VanDerWaalsContact O-OH 3.07Å; A181-Y215 HydrophobicContact CB-CE1 4.45Å; L184-Y215 HydrophobicContact CD2-CD1 3.32Å; L184-Y215 HydrophobicContact CD2-CD2 4.45Å; L184-Y215 HydrophobicContact CD2-CE1 4.04Å; L184-Y215 HydrophobicContact CD2-CG 3.57Å; L211-Y215 PolarHBondContact O-N 3.45Å; L211-Y215 VanDerWaalsContact O-N 3.17Å; E213-Y215 PolarHBondContact O-N 3.29Å; Y215-D217 VanDerWaalsContact C-N 3.34Å; Y215-D217 PolarHBondContact O-N 3.41Å; Y215-V218 PolarHBondContact O-N 2.82Å; Y215-R219 WeakPolarHBondContact O-CB 3.43Å; Y215-R219 PolarHBondContact O-N 3.06Å |
| 216 | V | 97.4 | Very high | 95.8 | Very high | 48 Ų | 48 | 61 Ų | 61 | 29% | 0.291 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.5 | -45.6 | 177.1 | 160.7 | 0 | 0 | 0 | 0 | 110.9 | Q212 E213 V218 R219 D220 | Q212-V216 WeakPolarHBondContact O-CB 3.33Å; Q212-V216 VanDerWaalsContact O-CG2 3.23Å; Q212-V216 WeakPolarHBondContact O-CG2 3.45Å; Q212-V216 PolarHBondContact O-N 3.35Å; E213-V216 PolarHBondContact O-N 3.34Å; V216-V218 PolarHBondContact O-N 2.96Å; V216-R219 WeakPolarHBondContact O-CB 3.32Å; V216-R219 PolarHBondContact O-N 3.27Å; V216-D220 WeakPolarHBondContact O-CB 3.25Å; V216-D220 PolarHBondContact O-N 2.96Å |
| 217 | D | 96.1 | Very high | 95.9 | Very high | 62 Ų | 62 | 58.3 Ų | 58.3 | 33% | 0.332 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.7 | -37.6 | 178.2 | 177.4 | 52.5 | 0 | 0 | 0 | 112.6 | R147 E213 Y215 R221 | R147-D217 IonicContact CZ-OD2 3.99Å; R147-D217 IonicContact NH1-OD2 2.66Å; R147-D217 PolarHBondContact NH1-OD2 3.34Å; R147-D217 IonicContact NH2-OD2 3.15Å; R147-D217 PolarHBondContact NH2-OD2 3.34Å; E213-D217 WeakPolarHBondContact O-CB 3.49Å; E213-D217 PolarHBondContact O-N 3.38Å; Y215-D217 VanDerWaalsContact C-N 3.34Å; Y215-D217 PolarHBondContact O-N 3.41Å; D217-R221 VanDerWaalsContact CG-NH2 3.26Å; D217-R221 PolarHBondContact O-N 3.47Å; D217-R221 PolarHBondContact O-NH2 2.96Å; D217-R221 IonicContact OD1-CZ 2.88Å; D217-R221 IonicContact OD1-NH1 2.88Å; D217-R221 PolarHBondContact OD1-NH1 3.28Å; D217-R221 IonicContact OD1-NH2 2.77Å; D217-R221 IonicContact OD2-CZ 3.76Å; D217-R221 VanDerWaalsContact OD2-CZ 3.24Å; D217-R221 IonicContact OD2-NH1 4Å; D217-R221 PolarHBondContact OD2-NH1 2.94Å; D217-R221 IonicContact OD2-NH2 3.82Å; D217-R221 PolarHBondContact OD2-NH2 3.43Å |
| 218 | V | 96.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68 | -45.3 | 170.8 | 165.5 | 0 | 0 | 0 | 0 | 112.1 | L143 Q146 R147 L150 I177 D214 Y215 V216 D220 A222 | L143-V218 HydrophobicContact CD2-CB 4.37Å; L143-V218 HydrophobicContact CD2-CG2 4.26Å; Q146-V218 HydrophobicContact CB-CG1 3.64Å; Q146-V218 HydrophobicContact CG-CG1 4.47Å; R147-V218 HydrophobicContact CB-CG2 4.08Å; L150-V218 HydrophobicContact CD1-CG1 4.06Å; L150-V218 WeakPolarHBondContact CD1-O 3.36Å; I177-V218 HydrophobicContact CD1-CG1 4.15Å; I177-V218 HydrophobicContact CG2-CG1 4.42Å; D214-V218 WeakPolarHBondContact O-CG2 3.23Å; D214-V218 PolarHBondContact O-N 3.42Å; D214-V218 VanDerWaalsContact O-N 3.08Å; Y215-V218 PolarHBondContact O-N 2.82Å; V216-V218 PolarHBondContact O-N 2.96Å; V218-D220 PolarHBondContact O-N 3.18Å; V218-A222 WeakPolarHBondContact O-CB 3.33Å; V218-A222 PolarHBondContact O-N 3.31Å; V218-A222 VanDerWaalsContact O-N 3.13Å |
| 219 | R | 97 | Very high | 96.2 | Very high | 77 Ų | 77 | 59.7 Ų | 59.7 | 29% | 0.291 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 178.7 | -179.1 | -160.1 | 71.8 | -156.8 | -4.6 | 111.8 | I177 Y215 V216 A222 Q223 | I177-R219 HydrophobicContact CG2-CB 4.04Å; I177-R219 HydrophobicContact CG2-CG 4.4Å; Y215-R219 WeakPolarHBondContact O-CB 3.43Å; Y215-R219 PolarHBondContact O-N 3.06Å; V216-R219 WeakPolarHBondContact O-CB 3.32Å; V216-R219 PolarHBondContact O-N 3.27Å; R219-A222 PolarHBondContact O-N 3.45Å; R219-Q223 WeakPolarHBondContact O-CB 3.38Å; R219-Q223 PolarHBondContact O-N 3.29Å |
| 220 | D | 96.1 | Very high | 96.2 | Very high | 61 Ų | 61 | 58.3 Ų | 58.3 | 33% | 0.326 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -76.3 | -40.9 | -172.6 | -67.8 | -14 | 0 | 0 | 0 | 111.2 | V216 V218 A222 Q223 E224 | V216-D220 WeakPolarHBondContact O-CB 3.25Å; V216-D220 PolarHBondContact O-N 2.96Å; V218-D220 PolarHBondContact O-N 3.18Å; D220-A222 VanDerWaalsContact C-N 3.3Å; D220-A222 PolarHBondContact O-N 3.34Å; D220-Q223 CarbonylContact O-C 3.55Å; D220-Q223 WeakPolarHBondContact O-CB 3.47Å; D220-Q223 PolarHBondContact O-N 2.96Å; D220-Q223 VanDerWaalsContact O-N 3.08Å; D220-E224 WeakPolarHBondContact O-CG 3.47Å; D220-E224 PolarHBondContact O-N 3.1Å |
| 221 | R | 96.1 | Very high | 96.3 | Very high | 60 Ų | 60 | 56.6 Ų | 56.6 | 23% | 0.226 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.3 | -41.6 | 167.5 | -85.8 | -165.9 | -63.8 | -79.2 | -19.2 | 113 | L150 D217 Q223 E224 R225 | L150-R221 HydrophobicContact CD1-CB 4.28Å; D217-R221 VanDerWaalsContact CG-NH2 3.26Å; D217-R221 PolarHBondContact O-N 3.47Å; D217-R221 PolarHBondContact O-NH2 2.96Å; D217-R221 IonicContact OD1-CZ 2.88Å; D217-R221 IonicContact OD1-NH1 2.88Å; D217-R221 PolarHBondContact OD1-NH1 3.28Å; D217-R221 IonicContact OD1-NH2 2.77Å; D217-R221 IonicContact OD2-CZ 3.76Å; D217-R221 VanDerWaalsContact OD2-CZ 3.24Å; D217-R221 IonicContact OD2-NH1 4Å; D217-R221 PolarHBondContact OD2-NH1 2.94Å; D217-R221 IonicContact OD2-NH2 3.82Å; D217-R221 PolarHBondContact OD2-NH2 3.43Å; R221-Q223 VanDerWaalsContact C-N 3.29Å; R221-Q223 PolarHBondContact O-N 3.18Å; R221-E224 PolarHBondContact O-N 3.49Å; R221-R225 WeakPolarHBondContact O-CB 3.38Å; R221-R225 PolarHBondContact O-N 3.02Å |
| 222 | A | 95.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.1 | -37.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L150 Q170 V174 I177 V218 R219 D220 L226 | L150-A222 HydrophobicContact CD1-CB 3.95Å; L150-A222 HydrophobicContact CD2-CB 3.95Å; Q170-A222 PolarHBondContact NE2-O 3.05Å; V174-A222 HydrophobicContact CG2-CB 3.85Å; V174-A222 WeakPolarHBondContact CG2-O 3.4Å; I177-A222 HydrophobicContact CD1-CB 3.61Å; V218-A222 WeakPolarHBondContact O-CB 3.33Å; V218-A222 PolarHBondContact O-N 3.31Å; V218-A222 VanDerWaalsContact O-N 3.13Å; R219-A222 PolarHBondContact O-N 3.45Å; D220-A222 VanDerWaalsContact C-N 3.3Å; D220-A222 PolarHBondContact O-N 3.34Å; A222-L226 PolarHBondContact O-N 2.9Å |
| 223 | Q | 97.2 | Very high | 96.2 | Very high | 59 Ų | 59 | 52.4 Ų | 52.4 | 28% | 0.276 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -73.4 | -37.2 | 177.7 | -175.4 | 58.7 | 84.9 | 0 | 0 | 112.6 | R219 D220 R221 L226 T227 | R219-Q223 WeakPolarHBondContact O-CB 3.38Å; R219-Q223 PolarHBondContact O-N 3.29Å; D220-Q223 CarbonylContact O-C 3.55Å; D220-Q223 WeakPolarHBondContact O-CB 3.47Å; D220-Q223 PolarHBondContact O-N 2.96Å; D220-Q223 VanDerWaalsContact O-N 3.08Å; R221-Q223 VanDerWaalsContact C-N 3.29Å; R221-Q223 PolarHBondContact O-N 3.18Å; Q223-L226 WeakPolarHBondContact O-CB 3.35Å; Q223-L226 PolarHBondContact O-N 3.13Å; Q223-T227 PolarHBondContact O-N 3.06Å |
| 224 | E | 95.6 | Very high | 96.2 | Very high | 128 Ų | 128 | 52.1 Ų | 52.1 | 60% | 0.598 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -64.8 | -47.3 | 173.3 | -73.5 | 176.4 | 165.2 | 0 | 0 | 111.2 | D220 R221 L226 T227 L228 | D220-E224 WeakPolarHBondContact O-CG 3.47Å; D220-E224 PolarHBondContact O-N 3.1Å; R221-E224 PolarHBondContact O-N 3.49Å; E224-L226 PolarHBondContact O-N 3.11Å; E224-T227 PolarHBondContact O-N 3Å; E224-T227 VanDerWaalsContact O-N 3.08Å; E224-T227 PolarHBondContact O-OG1 3Å; E224-L228 PolarHBondContact O-N 2.8Å |
| 225 | R | 95.7 | Very high | 96.1 | Very high | 49 Ų | 49 | 51.5 Ų | 51.5 | 19% | 0.185 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -55.8 | -39.3 | 173.9 | -170.1 | -177.1 | -169.5 | 108.6 | 1.8 | 111.8 | L150 L152 D153 V154 Q170 R221 L229 | L150-R225 PolarHBondContact O-NH1 3.45Å; L152-R225 PolarHBondContact O-NH1 3.3Å; L152-R225 PolarHBondContact O-NH2 3.15Å; L152-R225 VanDerWaalsContact O-NH2 3.15Å; D153-R225 PolarHBondContact O-NH2 3.4Å; V154-R225 HydrophobicContact CG2-CG 3.99Å; Q170-R225 HydrophobicContact CG-CG 4.46Å; R221-R225 WeakPolarHBondContact O-CB 3.38Å; R221-R225 PolarHBondContact O-N 3.02Å; R225-L229 HydrophobicContact CG-CD1 4.3Å; R225-L229 WeakPolarHBondContact O-CB 3.41Å; R225-L229 WeakPolarHBondContact O-CG 3.41Å; R225-L229 PolarHBondContact O-N 2.78Å |
| 226 | L | 96.8 | Very high | 96.1 | Very high | 10 Ų | 10 | 51.4 Ų | 51.4 | 5% | 0.052 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.5 | -47.9 | 174.4 | 179.4 | 55.7 | 0 | 0 | 0 | 111.9 | V167 Q170 M171 V174 A222 Q223 E224 L228 L229 Q230 | V167-L226 HydrophobicContact CG1-CD1 4.02Å; Q170-L226 HydrophobicContact CB-CD1 4.19Å; Q170-L226 HydrophobicContact CG-CB 3.81Å; Q170-L226 HydrophobicContact CG-CD1 4.21Å; M171-L226 HydrophobicContact CE-CD1 4.47Å; M171-L226 HydrophobicContact CG-CD1 3.68Å; M171-L226 HydrophobicContact CG-CD2 3.9Å; M171-L226 HydrophobicContact CG-CG 4.46Å; V174-L226 HydrophobicContact CB-CD2 4.29Å; V174-L226 HydrophobicContact CG1-CD2 4.31Å; V174-L226 HydrophobicContact CG2-CB 4.21Å; V174-L226 HydrophobicContact CG2-CD2 4.12Å; A222-L226 PolarHBondContact O-N 2.9Å; Q223-L226 WeakPolarHBondContact O-CB 3.35Å; Q223-L226 PolarHBondContact O-N 3.13Å; E224-L226 PolarHBondContact O-N 3.11Å; L226-L228 VanDerWaalsContact C-N 3.3Å; L226-L228 PolarHBondContact O-N 2.83Å; L226-L229 PolarHBondContact O-N 3.5Å; L226-Q230 HydrophobicContact CD1-CG 4.06Å; L226-Q230 HydrophobicContact CG-CG 4.44Å; L226-Q230 WeakPolarHBondContact O-CB 3.28Å; L226-Q230 VanDerWaalsContact O-CG 3.28Å; L226-Q230 WeakPolarHBondContact O-CG 3.3Å; L226-Q230 PolarHBondContact O-N 3Å |
| 227 | T | 96.9 | Very high | 96.1 | Very high | 75 Ų | 75 | 53.1 Ų | 53.1 | 46% | 0.46 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.9 | -33.3 | 179.1 | 55.5 | 0 | 0 | 0 | 0 | 113.1 | Q223 E224 K231 | Q223-T227 PolarHBondContact O-N 3.06Å; E224-T227 PolarHBondContact O-N 3Å; E224-T227 VanDerWaalsContact O-N 3.08Å; E224-T227 PolarHBondContact O-OG1 3Å; T227-K231 WeakPolarHBondContact O-CB 3.33Å; T227-K231 PolarHBondContact O-N 3.39Å |
| 228 | L | 95.4 | Very high | 96 | Very high | 83 Ų | 83 | 53.7 Ų | 53.7 | 44% | 0.435 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.3 | -50.9 | 172.8 | 178.3 | 60.7 | 0 | 0 | 0 | 111.4 | V154 E224 L226 Q230 K231 I232 | V154-L228 HydrophobicContact CG2-CD2 4.39Å; E224-L228 PolarHBondContact O-N 2.8Å; L226-L228 VanDerWaalsContact C-N 3.3Å; L226-L228 PolarHBondContact O-N 2.83Å; L228-Q230 VanDerWaalsContact C-N 3.33Å; L228-Q230 PolarHBondContact O-N 2.64Å; L228-K231 PolarHBondContact O-N 3.32Å; L228-I232 HydrophobicContact CD1-CD1 3.87Å; L228-I232 HydrophobicContact CD1-CG1 4.28Å; L228-I232 HydrophobicContact CG-CD1 3.93Å; L228-I232 VanDerWaalsContact O-CG1 3.3Å; L228-I232 WeakPolarHBondContact O-CG1 3.41Å; L228-I232 PolarHBondContact O-N 3.47Å |
| 229 | L | 95.9 | Very high | 96 | Very high | 7 Ų | 7 | 53.6 Ų | 53.6 | 4% | 0.037 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.6 | -42.5 | 176.8 | -77.5 | 169.1 | 0 | 0 | 0 | 111.9 | V154 Q166 V167 Q170 R225 L226 I232 S233 | V154-L229 HydrophobicContact CG1-CD2 3.64Å; V154-L229 HydrophobicContact CG1-CG 4.39Å; Q166-L229 HydrophobicContact CB-CD1 4.29Å; Q166-L229 HydrophobicContact CB-CD2 3.94Å; V167-L229 HydrophobicContact CG2-CB 3.78Å; Q170-L229 HydrophobicContact CB-CD1 3.8Å; Q170-L229 HydrophobicContact CG-CD1 4.08Å; R225-L229 HydrophobicContact CG-CD1 4.3Å; R225-L229 WeakPolarHBondContact O-CB 3.41Å; R225-L229 WeakPolarHBondContact O-CG 3.41Å; R225-L229 PolarHBondContact O-N 2.78Å; L226-L229 PolarHBondContact O-N 3.5Å; L229-I232 PolarHBondContact O-N 3.33Å; L229-S233 WeakPolarHBondContact O-CB 3.1Å; L229-S233 PolarHBondContact O-N 3.32Å; L229-S233 PolarHBondContact O-OG 3.11Å |
| 230 | Q | 96.4 | Very high | 96 | Very high | 72 Ų | 72 | 53 Ų | 53 | 34% | 0.336 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57.9 | -50.6 | 175.4 | -76.7 | 176.4 | -47.9 | 0 | 0 | 111.1 | V167 M171 L226 L228 I232 S233 E234 | V167-Q230 HydrophobicContact CG1-CG 3.73Å; V167-Q230 HydrophobicContact CG2-CG 4.23Å; M171-Q230 VanDerWaalsContact CE-NE2 3.31Å; L226-Q230 HydrophobicContact CD1-CG 4.06Å; L226-Q230 HydrophobicContact CG-CG 4.44Å; L226-Q230 WeakPolarHBondContact O-CB 3.28Å; L226-Q230 VanDerWaalsContact O-CG 3.28Å; L226-Q230 WeakPolarHBondContact O-CG 3.3Å; L226-Q230 PolarHBondContact O-N 3Å; L228-Q230 VanDerWaalsContact C-N 3.33Å; L228-Q230 PolarHBondContact O-N 2.64Å; Q230-I232 PolarHBondContact O-N 3.42Å; Q230-S233 PolarHBondContact O-N 3.49Å; Q230-S233 PolarHBondContact O-OG 3.44Å; Q230-E234 PolarHBondContact O-N 3.11Å |
| 231 | K | 95.4 | Very high | 96 | Very high | 118 Ų | 118 | 51.4 Ų | 51.4 | 51% | 0.513 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -55.8 | -49.1 | 175.8 | -179.6 | -171.4 | 163.5 | -172.3 | 0 | 111.9 | T227 L228 S233 E234 E235 | T227-K231 WeakPolarHBondContact O-CB 3.33Å; T227-K231 PolarHBondContact O-N 3.39Å; L228-K231 PolarHBondContact O-N 3.32Å; K231-S233 VanDerWaalsContact C-N 3.26Å; K231-S233 PolarHBondContact O-N 2.76Å; K231-E234 PolarHBondContact O-N 3.45Å; K231-E235 WeakPolarHBondContact CE-OE1 3.13Å; K231-E235 HydrophobicContact CG-CG 4.5Å; K231-E235 IonicContact NZ-OE1 2.62Å; K231-E235 WeakPolarHBondContact O-CG 3.49Å; K231-E235 PolarHBondContact O-N 3.16Å |
| 232 | I | 95.1 | Very high | 96.1 | Very high | 8 Ų | 8 | 50.5 Ų | 50.5 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.5 | -34 | -179.6 | -69.1 | 174.9 | 0 | 0 | 0 | 112 | K163 L228 L229 Q230 H236 N301 | K163-I232 HydrophobicContact CD-CG2 3.87Å; K163-I232 HydrophobicContact CG-CG2 4.38Å; L228-I232 HydrophobicContact CD1-CD1 3.87Å; L228-I232 HydrophobicContact CD1-CG1 4.28Å; L228-I232 HydrophobicContact CG-CD1 3.93Å; L228-I232 VanDerWaalsContact O-CG1 3.3Å; L228-I232 WeakPolarHBondContact O-CG1 3.41Å; L228-I232 PolarHBondContact O-N 3.47Å; L229-I232 PolarHBondContact O-N 3.33Å; Q230-I232 PolarHBondContact O-N 3.42Å; I232-H236 PolarHBondContact O-N 3.03Å; I232-N301 HydrophobicContact CB-CB 4.37Å; I232-N301 HydrophobicContact CD1-CB 4.16Å; I232-N301 HydrophobicContact CG1-CB 3.84Å; I232-N301 HydrophobicContact CG2-CB 3.89Å; I232-N301 WeakPolarHBondContact CG2-O 3.37Å |
| 233 | S | 95.8 | Very high | 96.1 | Very high | 8 Ų | 8 | 50.6 Ų | 50.6 | 6% | 0.056 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -74.7 | -39.2 | 175.7 | 74 | 0 | 0 | 0 | 0 | 112.6 | L160 L229 Q230 K231 H236 H237 | L160-S233 WeakPolarHBondContact CD1-O 3.41Å; L229-S233 WeakPolarHBondContact O-CB 3.1Å; L229-S233 PolarHBondContact O-N 3.32Å; L229-S233 PolarHBondContact O-OG 3.11Å; Q230-S233 PolarHBondContact O-N 3.49Å; Q230-S233 PolarHBondContact O-OG 3.44Å; K231-S233 VanDerWaalsContact C-N 3.26Å; K231-S233 PolarHBondContact O-N 2.76Å; S233-H236 PolarHBondContact O-N 2.94Å; S233-H237 WeakPolarHBondContact O-CB 3.36Å; S233-H237 PolarHBondContact O-N 3.3Å |
| 234 | E | 95.8 | Very high | 96.1 | Very high | 97 Ų | 97 | 52.3 Ų | 52.3 | 45% | 0.453 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -70.5 | -39.1 | 178.3 | -168.9 | 62.8 | -117.7 | 0 | 0 | 112.1 | Q230 K231 H236 H237 M238 | Q230-E234 PolarHBondContact O-N 3.11Å; K231-E234 PolarHBondContact O-N 3.45Å; E234-H236 VanDerWaalsContact C-N 3.28Å; E234-H236 PolarHBondContact O-N 3.41Å; E234-H237 PolarHBondContact O-N 2.93Å; E234-H237 IonicContact OE1-CE1 2.68Å; E234-H237 IonicContact OE1-CG 3.56Å; E234-H237 IonicContact OE1-ND1 2.99Å; E234-H237 PolarHBondContact OE1-ND1 3.31Å; E234-M238 HydrophobicContact CG-CG 4.42Å; E234-M238 WeakPolarHBondContact O-CB 3.34Å; E234-M238 WeakPolarHBondContact O-CG 3.32Å; E234-M238 PolarHBondContact O-N 3.47Å |
| 235 | E | 94.4 | Very high | 96.2 | Very high | 47 Ų | 47 | 52 Ų | 52 | 22% | 0.22 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.6 | -44.4 | 172.8 | -73.8 | 173.8 | 164.1 | 0 | 0 | 110.9 | K231 F239 V298 N301 | K231-E235 WeakPolarHBondContact CE-OE1 3.13Å; K231-E235 HydrophobicContact CG-CG 4.5Å; K231-E235 IonicContact NZ-OE1 2.62Å; K231-E235 WeakPolarHBondContact O-CG 3.49Å; K231-E235 PolarHBondContact O-N 3.16Å; E235-F239 PolarHBondContact O-N 3.19Å; E235-V298 VanDerWaalsContact C-CG2 3.46Å; E235-V298 HydrophobicContact CB-CG2 4.06Å; E235-V298 VanDerWaalsContact O-CG2 3.29Å; E235-V298 WeakPolarHBondContact O-CG2 3.38Å; E235-N301 PolarHBondContact OE2-ND2 3.43Å |
| 236 | H | 97.1 | Very high | 96.3 | Very high | 10 Ų | 10 | 50 Ų | 50 | 5% | 0.046 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -72.7 | -36.1 | 178.1 | -161 | 170 | 0 | 0 | 0 | 112.2 | L160 K163 I232 S233 E234 F239 H240 V298 | L160-H236 HydrophobicContact CD1-CB 4.07Å; L160-H236 PolarHBondContact N-CE1 3.19Å; K163-H236 HydrophobicContact CD-CB 4.25Å; I232-H236 PolarHBondContact O-N 3.03Å; S233-H236 PolarHBondContact O-N 2.94Å; E234-H236 VanDerWaalsContact C-N 3.28Å; E234-H236 PolarHBondContact O-N 3.41Å; H236-F239 PolarHBondContact O-N 2.84Å; H236-H240 WeakPolarHBondContact O-CB 3.21Å; H236-H240 PolarHBondContact O-N 3.48Å; H236-V298 HydrophobicContact CB-CG1 3.95Å; H236-V298 HydrophobicContact CB-CG2 4.34Å |
| 237 | H | 96.3 | Very high | 96.4 | Very high | 83 Ų | 83 | 53.2 Ų | 53.2 | 38% | 0.384 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63 | -44 | 174.2 | 173.6 | -117.2 | 0 | 0 | 0 | 111.7 | L160 S233 E234 H240 S241 | L160-H237 HydrophobicContact CD1-CB 3.99Å; L160-H237 HydrophobicContact CD2-CB 4.29Å; S233-H237 WeakPolarHBondContact O-CB 3.36Å; S233-H237 PolarHBondContact O-N 3.3Å; E234-H237 PolarHBondContact O-N 2.93Å; E234-H237 IonicContact OE1-CE1 2.68Å; E234-H237 IonicContact OE1-CG 3.56Å; E234-H237 IonicContact OE1-ND1 2.99Å; E234-H237 PolarHBondContact OE1-ND1 3.31Å; H237-H240 PolarHBondContact O-N 3.25Å; H237-S241 VanDerWaalsContact O-CB 3.28Å; H237-S241 WeakPolarHBondContact O-CB 3.34Å; H237-S241 PolarHBondContact O-N 3.49Å |
| 238 | M | 95 | Very high | 96.4 | Very high | 74 Ų | 74 | 53.5 Ų | 53.5 | 37% | 0.365 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.1 | -40.7 | 176.5 | -74.8 | -62.2 | -60.6 | 0 | 0 | 112.4 | E234 S241 H242 | E234-M238 HydrophobicContact CG-CG 4.42Å; E234-M238 WeakPolarHBondContact O-CB 3.34Å; E234-M238 WeakPolarHBondContact O-CG 3.32Å; E234-M238 PolarHBondContact O-N 3.47Å; M238-S241 PolarHBondContact O-N 3.49Å; M238-H242 VanDerWaalsContact O-CG 3.31Å; M238-H242 PolarHBondContact O-N 3.43Å; M238-H242 PolarHBondContact O-ND1 2.96Å |
| 239 | F | 97.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -54 | -58.3 | 169.3 | 172.7 | -107 | 0 | 0 | 0 | 111 | E235 H236 S241 H242 V243 I291 V294 A295 V298 V310 E313 A314 | E235-F239 PolarHBondContact O-N 3.19Å; H236-F239 PolarHBondContact O-N 2.84Å; F239-S241 VanDerWaalsContact C-N 3.26Å; F239-S241 PolarHBondContact O-N 3.33Å; F239-H242 PolarHBondContact O-N 3.45Å; F239-V243 HydrophobicContact CD1-CG2 4.14Å; F239-V243 HydrophobicContact CD2-CG2 4.05Å; F239-V243 HydrophobicContact CE1-CG2 3.73Å; F239-V243 HydrophobicContact CE2-CG2 3.62Å; F239-V243 HydrophobicContact CG-CG2 4.29Å; F239-V243 HydrophobicContact CZ-CG2 3.46Å; F239-V243 VanDerWaalsContact CZ-CG2 3.46Å; F239-V243 WeakPolarHBondContact O-CG2 3.22Å; F239-V243 PolarHBondContact O-N 3.34Å; F239-I291 HydrophobicContact CD2-CG2 4.14Å; F239-I291 HydrophobicContact CE2-CG2 3.79Å; F239-V294 HydrophobicContact CB-CG1 3.95Å; F239-A295 HydrophobicContact CD2-CB 3.98Å; F239-A295 HydrophobicContact CE2-CB 3.57Å; F239-A295 HydrophobicContact CZ-CB 4.32Å; F239-V298 HydrophobicContact CB-CG2 3.95Å; F239-V310 HydrophobicContact CD1-CG1 4.31Å; F239-V310 HydrophobicContact CE1-CB 4.39Å; F239-V310 HydrophobicContact CE1-CG1 3.87Å; F239-V310 HydrophobicContact CE1-CG2 4.22Å; F239-V310 HydrophobicContact CE2-CG1 4.31Å; F239-V310 HydrophobicContact CZ-CG1 3.87Å; F239-E313 HydrophobicContact CE1-CB 4.29Å; F239-E313 HydrophobicContact CZ-CB 4.02Å; F239-A314 HydrophobicContact CE2-CB 4.47Å |
| 240 | H | 96.8 | Very high | 96.6 | Very high | 64 Ų | 64 | 52.5 Ų | 52.5 | 30% | 0.296 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.8 | -36.1 | -176.9 | -167.2 | 68.2 | 0 | 0 | 0 | 112.2 | L160 H236 H237 V243 Q244 | L160-H240 HydrophobicContact CD2-CB 4.26Å; H236-H240 WeakPolarHBondContact O-CB 3.21Å; H236-H240 PolarHBondContact O-N 3.48Å; H237-H240 PolarHBondContact O-N 3.25Å; H240-V243 PolarHBondContact O-N 3.01Å; H240-Q244 PolarHBondContact CD2-NE2 3.49Å; H240-Q244 VanDerWaalsContact CD2-NE2 3.26Å; H240-Q244 PolarHBondContact NE2-NE2 3.26Å; H240-Q244 WeakPolarHBondContact O-CG 3.36Å; H240-Q244 PolarHBondContact O-N 3.41Å |
| 241 | S | 96.8 | Very high | 96.6 | Very high | 27 Ų | 27 | 54 Ų | 54 | 19% | 0.189 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.2 | -39.1 | 174.3 | -163.3 | 0 | 0 | 0 | 0 | 112.6 | H237 M238 F239 K245 | H237-S241 VanDerWaalsContact O-CB 3.28Å; H237-S241 WeakPolarHBondContact O-CB 3.34Å; H237-S241 PolarHBondContact O-N 3.49Å; M238-S241 PolarHBondContact O-N 3.49Å; F239-S241 VanDerWaalsContact C-N 3.26Å; F239-S241 PolarHBondContact O-N 3.33Å; S241-K245 WeakPolarHBondContact O-CD 3.45Å; S241-K245 WeakPolarHBondContact O-CG 3.48Å; S241-K245 PolarHBondContact O-N 3.41Å; S241-K245 PolarHBondContact OG-NZ 2.95Å |
| 242 | H | 96.4 | Very high | 96.7 | Very high | 42 Ų | 42 | 51.8 Ų | 51.8 | 19% | 0.194 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -72.6 | -40.2 | 174.7 | -63.9 | 148.6 | 0 | 0 | 0 | 112.2 | M238 F239 K245 F246 H290 I291 | M238-H242 VanDerWaalsContact O-CG 3.31Å; M238-H242 PolarHBondContact O-N 3.43Å; M238-H242 PolarHBondContact O-ND1 2.96Å; F239-H242 PolarHBondContact O-N 3.45Å; H242-K245 PolarHBondContact O-N 3.29Å; H242-F246 WeakPolarHBondContact O-CB 3.27Å; H242-F246 PolarHBondContact O-N 3.44Å; H242-H290 AromaticContact CE1-NE2 3.67Å; H242-I291 HydrophobicContact CB-CD1 4.03Å; H242-I291 HydrophobicContact CB-CG1 3.66Å |
| 243 | V | 97.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -54.7 | -54.6 | 174.7 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | F239 H240 K245 F246 Q247 I291 L317 | F239-V243 HydrophobicContact CD1-CG2 4.14Å; F239-V243 HydrophobicContact CD2-CG2 4.05Å; F239-V243 HydrophobicContact CE1-CG2 3.73Å; F239-V243 HydrophobicContact CE2-CG2 3.62Å; F239-V243 HydrophobicContact CG-CG2 4.29Å; F239-V243 HydrophobicContact CZ-CG2 3.46Å; F239-V243 VanDerWaalsContact CZ-CG2 3.46Å; F239-V243 WeakPolarHBondContact O-CG2 3.22Å; F239-V243 PolarHBondContact O-N 3.34Å; H240-V243 PolarHBondContact O-N 3.01Å; V243-K245 VanDerWaalsContact C-N 3.31Å; V243-K245 PolarHBondContact O-N 3.18Å; V243-F246 PolarHBondContact O-N 3.19Å; V243-Q247 HydrophobicContact CG1-CG 4.29Å; V243-Q247 WeakPolarHBondContact O-CB 3.46Å; V243-Q247 VanDerWaalsContact O-CG 3.31Å; V243-Q247 WeakPolarHBondContact O-CG 3.23Å; V243-Q247 PolarHBondContact O-N 3.13Å; V243-I291 HydrophobicContact CG2-CG2 4.24Å; V243-L317 HydrophobicContact CB-CD1 4.36Å; V243-L317 HydrophobicContact CG1-CD1 4.34Å; V243-L317 HydrophobicContact CG1-CD2 4.42Å; V243-L317 HydrophobicContact CG2-CD1 4.07Å |
| 244 | Q | 97 | Very high | 96.8 | Very high | 96 Ų | 96 | 56 Ų | 56 | 45% | 0.449 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -57.8 | -41.1 | 179.3 | -71.6 | -178.9 | 6.5 | 0 | 0 | 113 | H240 S248 | H240-Q244 PolarHBondContact CD2-NE2 3.49Å; H240-Q244 VanDerWaalsContact CD2-NE2 3.26Å; H240-Q244 PolarHBondContact NE2-NE2 3.26Å; H240-Q244 WeakPolarHBondContact O-CG 3.36Å; H240-Q244 PolarHBondContact O-N 3.41Å; Q244-S248 WeakPolarHBondContact O-CB 3.38Å; Q244-S248 PolarHBondContact O-N 3.01Å; Q244-S248 PolarHBondContact O-OG 3.28Å |
| 245 | K | 97.1 | Very high | 96.8 | Very high | 120 Ų | 120 | 57.9 Ų | 57.9 | 52% | 0.522 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65 | -45.2 | 177.7 | -71.3 | 163.1 | -172 | 149.1 | 0 | 111.3 | S241 H242 V243 S248 W249 | S241-K245 WeakPolarHBondContact O-CD 3.45Å; S241-K245 WeakPolarHBondContact O-CG 3.48Å; S241-K245 PolarHBondContact O-N 3.41Å; S241-K245 PolarHBondContact OG-NZ 2.95Å; H242-K245 PolarHBondContact O-N 3.29Å; V243-K245 VanDerWaalsContact C-N 3.31Å; V243-K245 PolarHBondContact O-N 3.18Å; K245-S248 PolarHBondContact O-N 3.3Å; K245-W249 WeakPolarHBondContact O-CB 3.17Å; K245-W249 PolarHBondContact O-N 3.48Å |
| 246 | F | 98 | Very high | 96.8 | Very high | 8 Ų | 8 | 59.3 Ų | 59.3 | 4% | 0.035 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -71.1 | -38.9 | -178.9 | -162.9 | -97 | 0 | 0 | 0 | 112.2 | H242 V243 S248 W249 L250 E284 L288 I291 L317 W321 | H242-F246 WeakPolarHBondContact O-CB 3.27Å; H242-F246 PolarHBondContact O-N 3.44Å; V243-F246 PolarHBondContact O-N 3.19Å; F246-S248 PolarHBondContact O-N 2.97Å; F246-W249 HydrophobicContact CD2-CE3 4.29Å; F246-W249 HydrophobicContact CE1-CZ3 4.49Å; F246-W249 HydrophobicContact CE2-CE3 4.03Å; F246-W249 AromaticContact CE2-CZ3 3.99Å; F246-W249 HydrophobicContact CE2-CZ3 3.99Å; F246-W249 HydrophobicContact CZ-CE3 4.19Å; F246-W249 AromaticContact CZ-CZ3 3.88Å; F246-W249 HydrophobicContact CZ-CZ3 3.88Å; F246-W249 PolarHBondContact O-N 3.21Å; F246-L250 HydrophobicContact CD1-CD1 3.71Å; F246-L250 HydrophobicContact CD1-CG 3.95Å; F246-L250 HydrophobicContact CE1-CD1 3.69Å; F246-L250 HydrophobicContact CE1-CD2 4.11Å; F246-L250 HydrophobicContact CE1-CG 3.83Å; F246-L250 WeakPolarHBondContact O-CB 3.33Å; F246-L250 WeakPolarHBondContact O-CG 3.37Å; F246-L250 PolarHBondContact O-N 2.95Å; F246-E284 HydrophobicContact CE2-CB 4.28Å; F246-L288 HydrophobicContact CE1-CB 4.4Å; F246-L288 HydrophobicContact CE1-CD1 4.15Å; F246-L288 HydrophobicContact CE2-CB 4.2Å; F246-L288 HydrophobicContact CZ-CB 3.82Å; F246-L288 HydrophobicContact CZ-CD1 4.41Å; F246-I291 HydrophobicContact CB-CD1 3.67Å; F246-I291 HydrophobicContact CD2-CD1 4.14Å; F246-I291 HydrophobicContact CG-CD1 3.91Å; F246-L317 HydrophobicContact CB-CD1 4.31Å; F246-L317 HydrophobicContact CD1-CB 3.98Å; F246-L317 HydrophobicContact CD1-CD1 4.05Å; F246-L317 HydrophobicContact CD1-CD2 4.28Å; F246-L317 HydrophobicContact CD1-CG 4.32Å; F246-L317 HydrophobicContact CE1-CB 4.2Å; F246-W321 HydrophobicContact CE1-CB 4.27Å; F246-W321 HydrophobicContact CZ-CB 4.29Å; F246-W321 HydrophobicContact CZ-CG 4.45Å |
| 247 | Q | 98.1 | Very high | 96.7 | Very high | 77 Ų | 77 | 59.7 Ų | 59.7 | 36% | 0.36 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -57.8 | -47.7 | 170.1 | -71.7 | 175 | -15.1 | 0 | 0 | 111.5 | V243 W249 L250 V251 L317 | V243-Q247 HydrophobicContact CG1-CG 4.29Å; V243-Q247 WeakPolarHBondContact O-CB 3.46Å; V243-Q247 VanDerWaalsContact O-CG 3.31Å; V243-Q247 WeakPolarHBondContact O-CG 3.23Å; V243-Q247 PolarHBondContact O-N 3.13Å; Q247-W249 VanDerWaalsContact C-N 3.31Å; Q247-W249 PolarHBondContact O-N 3.49Å; Q247-L250 PolarHBondContact O-N 3.13Å; Q247-V251 WeakPolarHBondContact O-CG2 3.48Å; Q247-V251 PolarHBondContact O-N 3.09Å; Q247-L317 HydrophobicContact CG-CD2 3.39Å |
| 248 | S | 97.2 | Very high | 96.6 | Very high | 82 Ų | 82 | 58.7 Ų | 58.7 | 57% | 0.573 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -61.3 | -40.1 | 178.1 | -59 | 0 | 0 | 0 | 0 | 112.1 | Q244 K245 F246 S252 | Q244-S248 WeakPolarHBondContact O-CB 3.38Å; Q244-S248 PolarHBondContact O-N 3.01Å; Q244-S248 PolarHBondContact O-OG 3.28Å; K245-S248 PolarHBondContact O-N 3.3Å; F246-S248 PolarHBondContact O-N 2.97Å; S248-S252 WeakPolarHBondContact O-CB 3.49Å; S248-S252 PolarHBondContact O-N 3.35Å |
| 249 | W | 97.8 | Very high | 96.6 | Very high | 53 Ų | 53 | 59 Ų | 59 | 20% | 0.201 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.6 | -45.4 | 175 | 174.6 | 93.9 | 0 | 0 | 0 | 112.4 | K245 F246 Q247 V251 S252 K253 V281 E284 | K245-W249 WeakPolarHBondContact O-CB 3.17Å; K245-W249 PolarHBondContact O-N 3.48Å; F246-W249 HydrophobicContact CD2-CE3 4.29Å; F246-W249 HydrophobicContact CE1-CZ3 4.49Å; F246-W249 HydrophobicContact CE2-CE3 4.03Å; F246-W249 AromaticContact CE2-CZ3 3.99Å; F246-W249 HydrophobicContact CE2-CZ3 3.99Å; F246-W249 HydrophobicContact CZ-CE3 4.19Å; F246-W249 AromaticContact CZ-CZ3 3.88Å; F246-W249 HydrophobicContact CZ-CZ3 3.88Å; F246-W249 PolarHBondContact O-N 3.21Å; Q247-W249 VanDerWaalsContact C-N 3.31Å; Q247-W249 PolarHBondContact O-N 3.49Å; W249-V251 PolarHBondContact O-N 2.78Å; W249-S252 WeakPolarHBondContact O-CB 3.33Å; W249-S252 PolarHBondContact O-N 3.38Å; W249-K253 HydrophobicContact CD2-CG 4.21Å; W249-K253 HydrophobicContact CZ2-CG 3.98Å; W249-K253 PolarHBondContact O-N 3.09Å; W249-V281 HydrophobicContact CH2-CB 4.19Å; W249-V281 HydrophobicContact CH2-CG1 4.03Å; W249-V281 HydrophobicContact CH2-CG2 3.97Å; W249-V281 HydrophobicContact CZ2-CB 4.46Å; W249-V281 HydrophobicContact CZ2-CG2 4Å; W249-E284 HydrophobicContact CH2-CB 3.63Å; W249-E284 HydrophobicContact CH2-CG 3.99Å; W249-E284 HydrophobicContact CZ2-CB 3.66Å; W249-E284 HydrophobicContact CZ2-CG 3.45Å; W249-E284 VanDerWaalsContact CZ2-CG 3.45Å; W249-E284 HydrophobicContact CZ3-CB 4.22Å |
| 250 | L | 97.9 | Very high | 96.4 | Very high | 15 Ų | 15 | 60.7 Ų | 60.7 | 8% | 0.079 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.8 | -46.8 | 176.4 | -80.2 | 174.3 | 0 | 0 | 0 | 111.7 | F246 Q247 K253 T254 W321 L324 | F246-L250 HydrophobicContact CD1-CD1 3.71Å; F246-L250 HydrophobicContact CD1-CG 3.95Å; F246-L250 HydrophobicContact CE1-CD1 3.69Å; F246-L250 HydrophobicContact CE1-CD2 4.11Å; F246-L250 HydrophobicContact CE1-CG 3.83Å; F246-L250 WeakPolarHBondContact O-CB 3.33Å; F246-L250 WeakPolarHBondContact O-CG 3.37Å; F246-L250 PolarHBondContact O-N 2.95Å; Q247-L250 PolarHBondContact O-N 3.13Å; L250-K253 PolarHBondContact O-N 3.42Å; L250-T254 VanDerWaalsContact O-CB 3.29Å; L250-T254 WeakPolarHBondContact O-CB 3.45Å; L250-T254 PolarHBondContact O-N 3.12Å; L250-T254 PolarHBondContact O-OG1 3.48Å; L250-W321 HydrophobicContact CD2-CB 4.07Å; L250-L324 HydrophobicContact CD2-CD2 4.08Å |
| 251 | V | 97.1 | Very high | 96.1 | Very high | 105 Ų | 105 | 60.4 Ų | 60.4 | 64% | 0.636 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -62.9 | -43.4 | 177.3 | 172 | 0 | 0 | 0 | 0 | 110.8 | Q247 W249 K255 | Q247-V251 WeakPolarHBondContact O-CG2 3.48Å; Q247-V251 PolarHBondContact O-N 3.09Å; W249-V251 PolarHBondContact O-N 2.78Å; V251-K255 WeakPolarHBondContact O-CB 3.3Å; V251-K255 PolarHBondContact O-N 2.79Å |
| 252 | S | 97.1 | Very high | 95.8 | Very high | 70 Ų | 70 | 65.3 Ų | 65.3 | 49% | 0.49 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.9 | -48.3 | 176.8 | -167.8 | 0 | 0 | 0 | 0 | 112.1 | S248 W249 K255 E256 | S248-S252 WeakPolarHBondContact O-CB 3.49Å; S248-S252 PolarHBondContact O-N 3.35Å; W249-S252 WeakPolarHBondContact O-CB 3.33Å; W249-S252 PolarHBondContact O-N 3.38Å; S252-K255 WeakPolarHBondContact O-CB 3.31Å; S252-K255 PolarHBondContact O-N 3.21Å; S252-E256 PolarHBondContact O-N 3.1Å |
| 253 | K | 96.6 | Very high | 95.3 | Very high | 41 Ų | 41 | 67.7 Ų | 67.7 | 18% | 0.178 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -72.2 | -32.9 | -178.8 | -71.7 | -76.6 | 165.9 | -164.6 | 0 | 113.5 | W249 L250 K255 E256 L257 L277 V281 L324 | W249-K253 HydrophobicContact CD2-CG 4.21Å; W249-K253 HydrophobicContact CZ2-CG 3.98Å; W249-K253 PolarHBondContact O-N 3.09Å; L250-K253 PolarHBondContact O-N 3.42Å; K253-K255 VanDerWaalsContact C-N 3.33Å; K253-E256 WeakPolarHBondContact CD-OE2 3.46Å; K253-E256 VanDerWaalsContact CE-OE2 3.28Å; K253-E256 WeakPolarHBondContact CE-OE2 3.28Å; K253-E256 IonicContact NZ-OE1 3.52Å; K253-E256 PolarHBondContact NZ-OE1 2.94Å; K253-E256 IonicContact NZ-OE2 3.58Å; K253-E256 PolarHBondContact NZ-OE2 3.26Å; K253-E256 WeakPolarHBondContact O-CB 3.43Å; K253-E256 PolarHBondContact O-N 3.34Å; K253-L257 PolarHBondContact O-N 3.37Å; K253-L277 HydrophobicContact CD-CD1 3.33Å; K253-V281 HydrophobicContact CB-CG2 4.34Å; K253-V281 HydrophobicContact CD-CG2 4.24Å; K253-V281 HydrophobicContact CG-CG2 4.39Å; K253-L324 HydrophobicContact CB-CD2 3.72Å |
| 254 | T | 96.4 | Very high | 94.7 | Very high | 63 Ų | 63 | 75.9 Ų | 75.9 | 39% | 0.387 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.6 | -39.1 | 170.8 | -54.7 | 0 | 0 | 0 | 0 | 111.1 | L250 T258 | L250-T254 VanDerWaalsContact O-CB 3.29Å; L250-T254 WeakPolarHBondContact O-CB 3.45Å; L250-T254 PolarHBondContact O-N 3.12Å; L250-T254 PolarHBondContact O-OG1 3.48Å; T254-T258 WeakPolarHBondContact O-CB 3.49Å; T254-T258 PolarHBondContact O-N 2.89Å; T254-T258 PolarHBondContact O-OG1 3.21Å |
| 255 | K | 95.1 | Very high | 94.2 | Very high | 137 Ų | 137 | 75.8 Ų | 75.8 | 60% | 0.596 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -66.6 | -42.3 | 173 | -175.7 | 179.7 | 178 | -178.6 | 0 | 111.9 | V251 S252 K253 L257 T258 E259 | V251-K255 WeakPolarHBondContact O-CB 3.3Å; V251-K255 PolarHBondContact O-N 2.79Å; S252-K255 WeakPolarHBondContact O-CB 3.31Å; S252-K255 PolarHBondContact O-N 3.21Å; K253-K255 VanDerWaalsContact C-N 3.33Å; K255-L257 PolarHBondContact O-N 3.34Å; K255-T258 WeakPolarHBondContact O-CB 3.47Å; K255-T258 PolarHBondContact O-N 3.41Å; K255-T258 VanDerWaalsContact O-N 3.1Å; K255-E259 HydrophobicContact CG-CG 4.33Å; K255-E259 WeakPolarHBondContact O-CG 3.46Å; K255-E259 PolarHBondContact O-N 2.93Å |
| 256 | E | 94.8 | Very high | 93.7 | Very high | 78 Ų | 78 | 73.2 Ų | 73.2 | 36% | 0.364 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -56.9 | -48.9 | 176.9 | -165.6 | 174.3 | 146.6 | 0 | 0 | 111.7 | S252 K253 T258 E259 L260 L277 | S252-E256 PolarHBondContact O-N 3.1Å; K253-E256 WeakPolarHBondContact CD-OE2 3.46Å; K253-E256 VanDerWaalsContact CE-OE2 3.28Å; K253-E256 WeakPolarHBondContact CE-OE2 3.28Å; K253-E256 IonicContact NZ-OE1 3.52Å; K253-E256 PolarHBondContact NZ-OE1 2.94Å; K253-E256 IonicContact NZ-OE2 3.58Å; K253-E256 PolarHBondContact NZ-OE2 3.26Å; K253-E256 WeakPolarHBondContact O-CB 3.43Å; K253-E256 PolarHBondContact O-N 3.34Å; E256-T258 PolarHBondContact O-N 3.1Å; E256-E259 PolarHBondContact O-N 3.3Å; E256-L260 HydrophobicContact CG-CD1 4.48Å; E256-L260 WeakPolarHBondContact O-CB 3.5Å; E256-L260 VanDerWaalsContact O-CG 3.27Å; E256-L260 WeakPolarHBondContact O-CG 3.5Å; E256-L260 PolarHBondContact O-N 2.73Å; E256-L277 HydrophobicContact CB-CD2 4.49Å; E256-L277 HydrophobicContact CG-CD1 4.36Å; E256-L277 HydrophobicContact CG-CD2 4.37Å |
| 257 | L | 95.4 | Very high | 93.2 | Very high | 17 Ų | 17 | 74.7 Ų | 74.7 | 9% | 0.089 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -55.9 | -47.5 | 170.6 | 173 | 56 | 0 | 0 | 0 | 112.2 | K253 K255 E259 L260 M261 L274 L277 L324 L328 A331 | K253-L257 PolarHBondContact O-N 3.37Å; K255-L257 PolarHBondContact O-N 3.34Å; L257-E259 PolarHBondContact O-N 3.06Å; L257-L260 PolarHBondContact O-N 3.49Å; L257-M261 HydrophobicContact CD1-CE 4.39Å; L257-M261 HydrophobicContact CD1-CG 4.17Å; L257-M261 WeakPolarHBondContact O-CG 3.46Å; L257-M261 PolarHBondContact O-N 3.34Å; L257-M261 VanDerWaalsContact O-N 3.15Å; L257-L274 HydrophobicContact CD1-CD2 3.87Å; L257-L277 HydrophobicContact CB-CD2 4.01Å; L257-L324 HydrophobicContact CD2-CD1 4.22Å; L257-L328 HydrophobicContact CB-CD2 4.41Å; L257-L328 HydrophobicContact CD1-CD2 3.99Å; L257-L328 HydrophobicContact CD2-CD2 3.99Å; L257-L328 HydrophobicContact CD2-CG 4.11Å; L257-L328 HydrophobicContact CG-CD2 4.35Å; L257-A331 HydrophobicContact CD1-CB 4.01Å |
| 258 | T | 93.9 | Very high | 92.7 | Very high | 63 Ų | 63 | 75.5 Ų | 75.5 | 39% | 0.387 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62 | -40.3 | -177.2 | -59.4 | 0 | 0 | 0 | 0 | 112.5 | T254 K255 E256 K262 | T254-T258 WeakPolarHBondContact O-CB 3.49Å; T254-T258 PolarHBondContact O-N 2.89Å; T254-T258 PolarHBondContact O-OG1 3.21Å; K255-T258 WeakPolarHBondContact O-CB 3.47Å; K255-T258 PolarHBondContact O-N 3.41Å; K255-T258 VanDerWaalsContact O-N 3.1Å; E256-T258 PolarHBondContact O-N 3.1Å; T258-K262 WeakPolarHBondContact O-CG 3.47Å |
| 259 | E | 93.8 | Very high | 92.4 | Very high | 79 Ų | 79 | 74.4 Ų | 74.4 | 37% | 0.369 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -76.4 | -36.3 | 176.8 | -58.5 | -47.3 | 130.2 | 0 | 0 | 112.6 | K255 E256 L257 M261 K262 L263 | K255-E259 HydrophobicContact CG-CG 4.33Å; K255-E259 WeakPolarHBondContact O-CG 3.46Å; K255-E259 PolarHBondContact O-N 2.93Å; E256-E259 PolarHBondContact O-N 3.3Å; L257-E259 PolarHBondContact O-N 3.06Å; E259-M261 PolarHBondContact O-N 3.15Å; E259-K262 VanDerWaalsContact CD-NZ 3.33Å; E259-K262 PolarHBondContact O-N 2.92Å; E259-K262 VanDerWaalsContact O-N 3.14Å; E259-K262 IonicContact OE1-NZ 3.19Å; E259-K262 PolarHBondContact OE1-NZ 2.97Å; E259-K262 WeakPolarHBondContact OE2-CD 3.38Å; E259-K262 IonicContact OE2-NZ 3.21Å; E259-K262 PolarHBondContact OE2-NZ 2.8Å; E259-L263 PolarHBondContact O-N 3.4Å |
| 260 | L | 92.8 | Very high | 92.1 | Very high | 36 Ų | 36 | 73 Ų | 73 | 19% | 0.188 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -57.4 | -35.9 | 174.1 | -77.9 | 171.4 | 0 | 0 | 0 | 112.6 | E256 L257 A273 L277 | E256-L260 HydrophobicContact CG-CD1 4.48Å; E256-L260 WeakPolarHBondContact O-CB 3.5Å; E256-L260 VanDerWaalsContact O-CG 3.27Å; E256-L260 WeakPolarHBondContact O-CG 3.5Å; E256-L260 PolarHBondContact O-N 2.73Å; L257-L260 PolarHBondContact O-N 3.49Å; L260-A273 HydrophobicContact CD1-CB 4.36Å; L260-A273 HydrophobicContact CD2-CB 3.91Å; L260-L277 HydrophobicContact CD1-CD2 3.8Å |
| 261 | M | 91.6 | Very high | 91.9 | Very high | 58 Ų | 58 | 73.9 Ų | 73.9 | 29% | 0.286 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -74 | -32.7 | 178.2 | -66.9 | -54.2 | 100.7 | 0 | 0 | 113 | L257 E259 K270 L274 A331 L335 | L257-M261 HydrophobicContact CD1-CE 4.39Å; L257-M261 HydrophobicContact CD1-CG 4.17Å; L257-M261 WeakPolarHBondContact O-CG 3.46Å; L257-M261 PolarHBondContact O-N 3.34Å; L257-M261 VanDerWaalsContact O-N 3.15Å; E259-M261 PolarHBondContact O-N 3.15Å; M261-K270 PolarHBondContact O-NZ 2.7Å; M261-L274 HydrophobicContact CE-CD1 3.51Å; M261-L274 HydrophobicContact CE-CG 3.96Å; M261-L274 HydrophobicContact SD-CD1 4.3Å; M261-A331 HydrophobicContact CG-CB 4.44Å; M261-A331 HydrophobicContact SD-CB 3.86Å; M261-L335 HydrophobicContact CE-CD1 4.17Å; M261-L335 HydrophobicContact SD-CD1 4.32Å |
| 262 | K | 90.1 | Very high | 91.7 | Very high | 130 Ų | 130 | 76.3 Ų | 76.3 | 57% | 0.565 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -73.9 | -30.2 | -179.9 | -70.3 | 168.2 | -175.2 | 171.1 | 0 | 114.8 | T258 E259 | T258-K262 WeakPolarHBondContact O-CG 3.47Å; E259-K262 VanDerWaalsContact CD-NZ 3.33Å; E259-K262 PolarHBondContact O-N 2.92Å; E259-K262 VanDerWaalsContact O-N 3.14Å; E259-K262 IonicContact OE1-NZ 3.19Å; E259-K262 PolarHBondContact OE1-NZ 2.97Å; E259-K262 WeakPolarHBondContact OE2-CD 3.38Å; E259-K262 IonicContact OE2-NZ 3.21Å; E259-K262 PolarHBondContact OE2-NZ 2.8Å |
| 263 | L | 86.8 | Confident | 91.5 | Very high | 92 Ų | 92 | 74.5 Ų | 74.5 | 48% | 0.482 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -61.2 | 139.2 | -178.7 | -78.2 | 162.4 | 0 | 0 | 0 | 111.3 | E259 E265 K270 | E259-L263 PolarHBondContact O-N 3.4Å; L263-E265 PolarHBondContact O-N 3.34Å; L263-K270 WeakPolarHBondContact O-CE 3.48Å; L263-K270 PolarHBondContact O-NZ 3.19Å |
| 264 | D | 83.7 | Confident | 91.5 | Very high | 174 Ų | 174 | 72.7 Ų | 72.7 | 93% | 0.93 | 37% | 0.365 | S | S | * | . | trans | -81.5 | 56.8 | 172.8 | -89.5 | -31.7 | 0 | 0 | 0 | 111.9 | ||||
| 265 | E | 86.6 | Confident | 91.4 | Very high | 94 Ų | 94 | 73.4 Ų | 73.4 | 44% | 0.439 | 36% | 0.363 | S | S | . | . | trans | -92.1 | 150.4 | 168.6 | -77.7 | -154.8 | -177.6 | 0 | 0 | 112.4 | L263 N269 K270 | L263-E265 PolarHBondContact O-N 3.34Å; E265-N269 WeakPolarHBondContact OE2-CB 3.5Å; E265-K270 HydrophobicContact CB-CG 4.02Å; E265-K270 VanDerWaalsContact O-CE 3.3Å; E265-K270 WeakPolarHBondContact O-CE 3.38Å | ||
| 266 | P | 86.4 | Confident | 91.3 | Very high | 66 Ų | 66 | 71.5 Ų | 71.5 | 43% | 0.429 | 36% | 0.362 | S | S | . | . | trans | -61.2 | 145.7 | 175 | 27 | -35 | 0 | 0 | 0 | 111.4 | E268 N269 K270 | P266-E268 PolarHBondContact O-N 3.45Å; P266-E268 VanDerWaalsContact O-N 3.12Å; P266-N269 HydrophobicContact CG-CB 4.18Å; P266-N269 PolarHBondContact O-N 3.16Å; P266-K270 PolarHBondContact O-N 3.15Å | ||
| 267 | P | 87.4 | Confident | 91.4 | Very high | 39 Ų | 39 | 67.9 Ų | 67.9 | 25% | 0.253 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.6 | -29.1 | -169.1 | 24 | -34 | 0 | 0 | 0 | 113.5 | K270 L271 L335 L339 | P267-K270 PolarHBondContact O-N 3.01Å; P267-L271 WeakPolarHBondContact O-CB 3.34Å; P267-L271 PolarHBondContact O-N 2.95Å; P267-L335 HydrophobicContact CB-CD2 4.13Å; P267-L339 HydrophobicContact CG-CD1 4.24Å |
| 268 | E | 88.9 | Confident | 91.4 | Very high | 94 Ų | 94 | 69 Ų | 69 | 44% | 0.439 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -70.3 | -30.8 | 177.7 | -52.9 | 91.8 | 151.3 | 0 | 0 | 113 | P266 R272 L339 | P266-E268 PolarHBondContact O-N 3.45Å; P266-E268 VanDerWaalsContact O-N 3.12Å; E268-R272 PolarHBondContact O-N 2.93Å; E268-L339 HydrophobicContact CG-CD1 4.24Å; E268-L339 HydrophobicContact CG-CD2 4.2Å |
| 269 | N | 89.9 | Confident | 91.4 | Very high | 58 Ų | 58 | 72 Ų | 72 | 31% | 0.31 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -76.5 | -45.1 | 173.2 | -78.3 | -9.5 | 0 | 0 | 0 | 110.6 | E265 P266 L271 R272 A273 | E265-N269 WeakPolarHBondContact OE2-CB 3.5Å; P266-N269 HydrophobicContact CG-CB 4.18Å; P266-N269 PolarHBondContact O-N 3.16Å; N269-L271 VanDerWaalsContact C-N 3.3Å; N269-L271 PolarHBondContact O-N 3.41Å; N269-R272 WeakPolarHBondContact O-CB 3.22Å; N269-R272 PolarHBondContact O-N 3.39Å; N269-R272 VanDerWaalsContact O-N 3.08Å; N269-R272 PolarHBondContact OD1-NH1 3.08Å; N269-R272 PolarHBondContact OD1-NH2 3.37Å; N269-A273 PolarHBondContact O-N 3.16Å |
| 270 | K | 92.1 | Very high | 91.4 | Very high | 25 Ų | 25 | 69.6 Ų | 69.6 | 11% | 0.109 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -54.3 | -46.6 | 172.9 | -69.3 | -172.1 | 174.2 | -176.7 | 0 | 111.8 | M261 L263 E265 P266 P267 R272 A273 L274 L335 | M261-K270 PolarHBondContact O-NZ 2.7Å; L263-K270 WeakPolarHBondContact O-CE 3.48Å; L263-K270 PolarHBondContact O-NZ 3.19Å; E265-K270 HydrophobicContact CB-CG 4.02Å; E265-K270 VanDerWaalsContact O-CE 3.3Å; E265-K270 WeakPolarHBondContact O-CE 3.38Å; P266-K270 PolarHBondContact O-N 3.15Å; P267-K270 PolarHBondContact O-N 3.01Å; K270-R272 VanDerWaalsContact C-N 3.3Å; K270-R272 PolarHBondContact O-N 3.24Å; K270-A273 PolarHBondContact O-N 3.02Å; K270-L274 WeakPolarHBondContact O-CB 3.34Å; K270-L274 PolarHBondContact O-N 3.48Å; K270-L335 HydrophobicContact CB-CD1 3.55Å; K270-L335 HydrophobicContact CB-CD2 4.3Å; K270-L335 HydrophobicContact CD-CD1 4.47Å; K270-L335 HydrophobicContact CD-CD2 3.95Å |
| 271 | L | 93.4 | Very high | 91.6 | Very high | 33 Ų | 33 | 67.9 Ų | 67.9 | 17% | 0.173 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.1 | -26.8 | 179.9 | -170.6 | 132.1 | 0 | 0 | 0 | 112.7 | P267 N269 K275 E332 L335 R336 | P267-L271 WeakPolarHBondContact O-CB 3.34Å; P267-L271 PolarHBondContact O-N 2.95Å; N269-L271 VanDerWaalsContact C-N 3.3Å; N269-L271 PolarHBondContact O-N 3.41Å; L271-K275 HydrophobicContact CD2-CD 4.4Å; L271-K275 WeakPolarHBondContact O-CG 3.37Å; L271-K275 PolarHBondContact O-N 3.13Å; L271-E332 HydrophobicContact CD1-CG 3.6Å; L271-E332 HydrophobicContact CG-CG 3.98Å; L271-L335 HydrophobicContact CB-CD1 4.29Å; L271-L335 HydrophobicContact CD1-CB 4.15Å; L271-R336 HydrophobicContact CD1-CB 4.24Å |
| 272 | R | 93.1 | Very high | 91.7 | Very high | 155 Ų | 155 | 67 Ų | 67 | 59% | 0.585 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -72.5 | -45.9 | 170.5 | -165.3 | -174.7 | -54.9 | 118.1 | 13.3 | 111.6 | E268 N269 K270 K275 T276 | E268-R272 PolarHBondContact O-N 2.93Å; N269-R272 WeakPolarHBondContact O-CB 3.22Å; N269-R272 PolarHBondContact O-N 3.39Å; N269-R272 VanDerWaalsContact O-N 3.08Å; N269-R272 PolarHBondContact OD1-NH1 3.08Å; N269-R272 PolarHBondContact OD1-NH2 3.37Å; K270-R272 VanDerWaalsContact C-N 3.3Å; K270-R272 PolarHBondContact O-N 3.24Å; R272-K275 PolarHBondContact O-N 3.15Å; R272-T276 PolarHBondContact O-N 3.22Å; R272-T276 PolarHBondContact O-OG1 3.14Å |
| 273 | A | 93.6 | Very high | 91.9 | Very high | 32 Ų | 32 | 64.8 Ų | 64.8 | 26% | 0.264 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63 | -40.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L260 N269 K270 K275 T276 L277 | L260-A273 HydrophobicContact CD1-CB 4.36Å; L260-A273 HydrophobicContact CD2-CB 3.91Å; N269-A273 PolarHBondContact O-N 3.16Å; K270-A273 PolarHBondContact O-N 3.02Å; A273-K275 VanDerWaalsContact C-N 3.27Å; A273-K275 PolarHBondContact O-N 3.11Å; A273-T276 PolarHBondContact O-N 3.07Å; A273-L277 WeakPolarHBondContact O-CB 3.09Å; A273-L277 PolarHBondContact O-N 3.12Å |
| 274 | L | 95.1 | Very high | 92.3 | Very high | 3 Ų | 3 | 63.3 Ų | 63.3 | 2% | 0.016 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -55.7 | -39.2 | 173.3 | -106.5 | 161.5 | 0 | 0 | 0 | 112.9 | L257 M261 K270 L277 D278 L328 A331 L335 | L257-L274 HydrophobicContact CD1-CD2 3.87Å; M261-L274 HydrophobicContact CE-CD1 3.51Å; M261-L274 HydrophobicContact CE-CG 3.96Å; M261-L274 HydrophobicContact SD-CD1 4.3Å; K270-L274 WeakPolarHBondContact O-CB 3.34Å; K270-L274 PolarHBondContact O-N 3.48Å; L274-L277 PolarHBondContact O-N 3.09Å; L274-D278 WeakPolarHBondContact O-CB 3.46Å; L274-D278 PolarHBondContact O-N 3.3Å; L274-L328 HydrophobicContact CD2-CB 4.32Å; L274-L328 HydrophobicContact CD2-CD2 3.6Å; L274-A331 HydrophobicContact CD1-CB 3.85Å; L274-A331 HydrophobicContact CD2-CB 4.07Å; L274-L335 HydrophobicContact CD1-CD1 3.51Å |
| 275 | K | 93.9 | Very high | 92.9 | Very high | 79 Ų | 79 | 59 Ų | 59 | 34% | 0.343 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -71.5 | -43.2 | 180 | -72.2 | 177.2 | -172.9 | -152.5 | 0 | 112.1 | L271 R272 A273 L277 D278 E279 E332 | L271-K275 HydrophobicContact CD2-CD 4.4Å; L271-K275 WeakPolarHBondContact O-CG 3.37Å; L271-K275 PolarHBondContact O-N 3.13Å; R272-K275 PolarHBondContact O-N 3.15Å; A273-K275 VanDerWaalsContact C-N 3.27Å; A273-K275 PolarHBondContact O-N 3.11Å; K275-L277 PolarHBondContact O-N 2.86Å; K275-D278 PolarHBondContact O-N 3.5Å; K275-E279 WeakPolarHBondContact O-CB 3.1Å; K275-E279 VanDerWaalsContact O-CG 3.26Å; K275-E279 WeakPolarHBondContact O-CG 3.39Å; K275-E279 PolarHBondContact O-N 3.06Å; K275-E332 WeakPolarHBondContact CE-OE1 3.28Å; K275-E332 WeakPolarHBondContact CE-OE2 3.42Å; K275-E332 IonicContact NZ-OE1 3.38Å; K275-E332 PolarHBondContact NZ-OE1 3.44Å; K275-E332 IonicContact NZ-OE2 3.83Å |
| 276 | T | 94.9 | Very high | 93.3 | Very high | 96 Ų | 96 | 61.9 Ų | 61.9 | 59% | 0.589 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -60.5 | -35.2 | 171.8 | -49 | 0 | 0 | 0 | 0 | 111.9 | R272 A273 G280 | R272-T276 PolarHBondContact O-N 3.22Å; R272-T276 PolarHBondContact O-OG1 3.14Å; A273-T276 PolarHBondContact O-N 3.07Å; T276-G280 PolarHBondContact O-N 3.28Å |
| 277 | L | 95.3 | Very high | 93.8 | Very high | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.016 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70.3 | -45.1 | 174.6 | 179.7 | 55.8 | 0 | 0 | 0 | 112.2 | K253 E256 L257 L260 A273 L274 K275 G280 V281 L328 | K253-L277 HydrophobicContact CD-CD1 3.33Å; E256-L277 HydrophobicContact CB-CD2 4.49Å; E256-L277 HydrophobicContact CG-CD1 4.36Å; E256-L277 HydrophobicContact CG-CD2 4.37Å; L257-L277 HydrophobicContact CB-CD2 4.01Å; L260-L277 HydrophobicContact CD1-CD2 3.8Å; A273-L277 WeakPolarHBondContact O-CB 3.09Å; A273-L277 PolarHBondContact O-N 3.12Å; L274-L277 PolarHBondContact O-N 3.09Å; K275-L277 PolarHBondContact O-N 2.86Å; L277-G280 PolarHBondContact O-N 3.41Å; L277-V281 HydrophobicContact CD1-CG2 4.22Å; L277-V281 WeakPolarHBondContact O-CG2 3.2Å; L277-V281 PolarHBondContact O-N 3.44Å; L277-L328 HydrophobicContact CB-CD2 4.42Å; L277-L328 HydrophobicContact CD2-CD2 3.66Å; L277-L328 HydrophobicContact CG-CD2 3.73Å |
| 278 | D | 95.9 | Very high | 94.2 | Very high | 39 Ų | 39 | 59.7 Ų | 59.7 | 21% | 0.209 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66 | -40 | 179 | -168.6 | 74.5 | 0 | 0 | 0 | 112.6 | L274 K275 G280 V281 A282 R325 L328 | L274-D278 WeakPolarHBondContact O-CB 3.46Å; L274-D278 PolarHBondContact O-N 3.3Å; K275-D278 PolarHBondContact O-N 3.5Å; D278-G280 VanDerWaalsContact C-N 3.34Å; D278-G280 PolarHBondContact O-N 3.25Å; D278-V281 PolarHBondContact O-N 2.97Å; D278-A282 WeakPolarHBondContact O-CB 3.34Å; D278-A282 PolarHBondContact O-N 2.85Å; D278-R325 VanDerWaalsContact CG-CZ 3.48Å; D278-R325 PolarHBondContact O-NH1 3.5Å; D278-R325 IonicContact OD1-CZ 2.77Å; D278-R325 IonicContact OD1-NE 3.93Å; D278-R325 IonicContact OD1-NH1 2.71Å; D278-R325 PolarHBondContact OD1-NH1 3.33Å; D278-R325 IonicContact OD1-NH2 3.71Å; D278-R325 PolarHBondContact OD1-NH2 3.13Å; D278-R325 IonicContact OD2-CZ 2.45Å; D278-R325 IonicContact OD2-NH1 3.69Å; D278-R325 PolarHBondContact OD2-NH1 2.92Å; D278-R325 IonicContact OD2-NH2 3.4Å; D278-R325 PolarHBondContact OD2-NH2 2.66Å; D278-L328 HydrophobicContact CB-CD1 4.4Å |
| 279 | E | 94.3 | Very high | 94.6 | Very high | 128 Ų | 128 | 60 Ų | 60 | 60% | 0.598 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -57.4 | -45.8 | 171.6 | -75.2 | 169.2 | -167.2 | 0 | 0 | 111.2 | K275 A282 T283 | K275-E279 WeakPolarHBondContact O-CB 3.1Å; K275-E279 VanDerWaalsContact O-CG 3.26Å; K275-E279 WeakPolarHBondContact O-CG 3.39Å; K275-E279 PolarHBondContact O-N 3.06Å; E279-A282 WeakPolarHBondContact O-CB 3.42Å; E279-A282 PolarHBondContact O-N 2.85Å; E279-T283 PolarHBondContact O-N 3.21Å; E279-T283 PolarHBondContact O-OG1 3.42Å |
| 280 | G | 93.7 | Very high | 94.9 | Very high | 27 Ų | 27 | 62.2 Ų | 62.2 | 28% | 0.278 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69.4 | -28.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | T276 L277 D278 T283 | T276-G280 PolarHBondContact O-N 3.28Å; L277-G280 PolarHBondContact O-N 3.41Å; D278-G280 VanDerWaalsContact C-N 3.34Å; D278-G280 PolarHBondContact O-N 3.25Å; G280-T283 PolarHBondContact O-OG1 3.49Å |
| 281 | V | 96.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -79.5 | -29.8 | 173.9 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | W249 K253 L277 D278 W321 L324 R325 L328 | W249-V281 HydrophobicContact CH2-CB 4.19Å; W249-V281 HydrophobicContact CH2-CG1 4.03Å; W249-V281 HydrophobicContact CH2-CG2 3.97Å; W249-V281 HydrophobicContact CZ2-CB 4.46Å; W249-V281 HydrophobicContact CZ2-CG2 4Å; K253-V281 HydrophobicContact CB-CG2 4.34Å; K253-V281 HydrophobicContact CD-CG2 4.24Å; K253-V281 HydrophobicContact CG-CG2 4.39Å; L277-V281 HydrophobicContact CD1-CG2 4.22Å; L277-V281 WeakPolarHBondContact O-CG2 3.2Å; L277-V281 PolarHBondContact O-N 3.44Å; D278-V281 PolarHBondContact O-N 2.97Å; V281-W321 PolarHBondContact O-NE1 3.22Å; V281-L324 HydrophobicContact CG1-CD2 3.92Å; V281-L324 HydrophobicContact CG1-CG 4.11Å; V281-L324 HydrophobicContact CG2-CD2 3.88Å; V281-L324 HydrophobicContact CG2-CG 4.42Å; V281-R325 HydrophobicContact CG1-CG 4.17Å; V281-L328 HydrophobicContact CB-CD1 3.95Å; V281-L328 HydrophobicContact CG1-CD1 3.93Å; V281-L328 HydrophobicContact CG2-CD1 4.02Å |
| 282 | A | 94.7 | Very high | 95.2 | Very high | 39 Ų | 39 | 62.5 Ų | 62.5 | 32% | 0.322 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.2 | -42.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D278 E279 E284 E285 | D278-A282 WeakPolarHBondContact O-CB 3.34Å; D278-A282 PolarHBondContact O-N 2.85Å; E279-A282 WeakPolarHBondContact O-CB 3.42Å; E279-A282 PolarHBondContact O-N 2.85Å; A282-E284 PolarHBondContact O-N 3.37Å; A282-E285 WeakPolarHBondContact O-CB 3.27Å; A282-E285 PolarHBondContact O-N 3.22Å; A282-E285 VanDerWaalsContact O-N 3.15Å |
| 283 | T | 94.1 | Very high | 95.3 | Very high | 84 Ų | 84 | 57.3 Ų | 57.3 | 52% | 0.515 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.4 | -28.2 | -177.2 | 41.7 | 0 | 0 | 0 | 0 | 113.8 | E279 G280 E285 | E279-T283 PolarHBondContact O-N 3.21Å; E279-T283 PolarHBondContact O-OG1 3.42Å; G280-T283 PolarHBondContact O-OG1 3.49Å; T283-E285 VanDerWaalsContact C-N 3.31Å; T283-E285 PolarHBondContact O-N 3.36Å |
| 284 | E | 95.4 | Very high | 95.3 | Very high | 61 Ų | 61 | 57 Ų | 57 | 29% | 0.285 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 1 | -179.7 | -63.4 | -63.8 | 152.8 | 0 | 0 | 113.7 | F246 W249 A282 K286 T287 L288 | F246-E284 HydrophobicContact CE2-CB 4.28Å; W249-E284 HydrophobicContact CH2-CB 3.63Å; W249-E284 HydrophobicContact CH2-CG 3.99Å; W249-E284 HydrophobicContact CZ2-CB 3.66Å; W249-E284 HydrophobicContact CZ2-CG 3.45Å; W249-E284 VanDerWaalsContact CZ2-CG 3.45Å; W249-E284 HydrophobicContact CZ3-CB 4.22Å; A282-E284 PolarHBondContact O-N 3.37Å; E284-K286 PolarHBondContact O-N 3.12Å; E284-T287 PolarHBondContact O-N 3.48Å; E284-T287 VanDerWaalsContact O-N 3.16Å; E284-T287 PolarHBondContact O-OG1 3.25Å; E284-T287 WeakPolarHBondContact OE2-CB 3.45Å; E284-T287 WeakPolarHBondContact OE2-CG2 3.39Å; E284-T287 PolarHBondContact OE2-OG1 3.22Å; E284-L288 PolarHBondContact O-N 3.41Å; E284-L288 VanDerWaalsContact O-N 3.16Å |
| 285 | E | 95.8 | Very high | 95.4 | Very high | 84 Ų | 84 | 57 Ų | 57 | 39% | 0.393 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.1 | -31.7 | 165.7 | -165.9 | -175.6 | 171.4 | 0 | 0 | 111.1 | A282 T283 L288 Q289 W321 | A282-E285 WeakPolarHBondContact O-CB 3.27Å; A282-E285 PolarHBondContact O-N 3.22Å; A282-E285 VanDerWaalsContact O-N 3.15Å; T283-E285 VanDerWaalsContact C-N 3.31Å; T283-E285 PolarHBondContact O-N 3.36Å; E285-L288 PolarHBondContact O-N 3.19Å; E285-Q289 VanDerWaalsContact O-CG 3.29Å; E285-Q289 WeakPolarHBondContact O-CG 3.18Å; E285-Q289 PolarHBondContact O-N 2.85Å; E285-Q289 PolarHBondContact OE1-NE2 3.2Å; E285-W321 HydrophobicContact CB-CH2 4.11Å; E285-W321 HydrophobicContact CB-CZ2 3.68Å; E285-W321 HydrophobicContact CG-CH2 3.72Å; E285-W321 HydrophobicContact CG-CZ2 3.83Å; E285-W321 HydrophobicContact CG-CZ3 4.32Å |
| 286 | K | 95.3 | Very high | 95.4 | Very high | 155 Ų | 155 | 57.2 Ų | 57.2 | 67% | 0.674 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -70.8 | -31.3 | 178.5 | -63.6 | 175.5 | -176.2 | 172.1 | 0 | 113.4 | E284 H290 | E284-K286 PolarHBondContact O-N 3.12Å; K286-H290 PolarHBondContact O-N 2.59Å; K286-H290 VanDerWaalsContact O-N 3.08Å |
| 287 | T | 95.8 | Very high | 95.3 | Very high | 53 Ų | 53 | 54.5 Ų | 54.5 | 33% | 0.325 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -79.7 | -33.9 | 177.4 | 55 | 0 | 0 | 0 | 0 | 110.5 | E284 H290 I291 | E284-T287 PolarHBondContact O-N 3.48Å; E284-T287 VanDerWaalsContact O-N 3.16Å; E284-T287 PolarHBondContact O-OG1 3.25Å; E284-T287 WeakPolarHBondContact OE2-CB 3.45Å; E284-T287 WeakPolarHBondContact OE2-CG2 3.39Å; E284-T287 PolarHBondContact OE2-OG1 3.22Å; T287-H290 PolarHBondContact O-N 2.78Å; T287-I291 VanDerWaalsContact O-CG1 3.31Å; T287-I291 WeakPolarHBondContact O-CG1 3.1Å; T287-I291 PolarHBondContact O-N 2.84Å |
| 288 | L | 97.5 | Very high | 95.3 | Very high | 5 Ų | 5 | 54.4 Ų | 54.4 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.5 | -52.2 | 165.9 | 177.2 | 63.5 | 0 | 0 | 0 | 112 | F246 E284 E285 H290 I291 E292 L317 R318 W321 | F246-L288 HydrophobicContact CE1-CB 4.4Å; F246-L288 HydrophobicContact CE1-CD1 4.15Å; F246-L288 HydrophobicContact CE2-CB 4.2Å; F246-L288 HydrophobicContact CZ-CB 3.82Å; F246-L288 HydrophobicContact CZ-CD1 4.41Å; E284-L288 PolarHBondContact O-N 3.41Å; E284-L288 VanDerWaalsContact O-N 3.16Å; E285-L288 PolarHBondContact O-N 3.19Å; L288-H290 PolarHBondContact O-N 3.16Å; L288-I291 WeakPolarHBondContact O-CA 3.47Å; L288-I291 WeakPolarHBondContact O-CB 3.48Å; L288-I291 PolarHBondContact O-N 3.42Å; L288-E292 WeakPolarHBondContact O-CG 3.41Å; L288-E292 PolarHBondContact O-N 3.23Å; L288-L317 HydrophobicContact CD1-CB 3.86Å; L288-R318 HydrophobicContact CD1-CB 4.28Å; L288-R318 HydrophobicContact CD2-CB 4.25Å; L288-R318 HydrophobicContact CD2-CG 4.26Å; L288-W321 HydrophobicContact CD2-CB 4.12Å; L288-W321 HydrophobicContact CD2-CD2 4.25Å; L288-W321 HydrophobicContact CD2-CE3 4.2Å; L288-W321 HydrophobicContact CD2-CG 4.23Å |
| 289 | Q | 96.4 | Very high | 95.3 | Very high | 102 Ų | 102 | 56.5 Ų | 56.5 | 48% | 0.477 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.3 | -32.6 | 176.7 | -72.7 | 169.9 | 9.4 | 0 | 0 | 112.6 | E285 G293 | E285-Q289 VanDerWaalsContact O-CG 3.29Å; E285-Q289 WeakPolarHBondContact O-CG 3.18Å; E285-Q289 PolarHBondContact O-N 2.85Å; E285-Q289 PolarHBondContact OE1-NE2 3.2Å; Q289-G293 PolarHBondContact O-N 3.48Å; Q289-G293 VanDerWaalsContact O-N 3.1Å |
| 290 | H | 96.3 | Very high | 95.3 | Very high | 104 Ų | 104 | 55.2 Ų | 55.2 | 48% | 0.481 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.4 | -41.1 | 172 | 179.8 | 45.8 | 0 | 0 | 0 | 112.2 | H242 K286 T287 L288 G293 V294 | H242-H290 AromaticContact CE1-NE2 3.67Å; K286-H290 PolarHBondContact O-N 2.59Å; K286-H290 VanDerWaalsContact O-N 3.08Å; T287-H290 PolarHBondContact O-N 2.78Å; L288-H290 PolarHBondContact O-N 3.16Å; H290-G293 PolarHBondContact O-N 2.89Å; H290-V294 WeakPolarHBondContact O-CG2 3.45Å; H290-V294 PolarHBondContact O-N 3.43Å |
| 291 | I | 97.1 | Very high | 95.3 | Very high | 5 Ų | 5 | 55.6 Ų | 55.6 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 175.5 | -68.2 | 163.6 | 0 | 0 | 0 | 110.8 | F239 H242 V243 F246 T287 L288 G293 V294 A295 L317 | F239-I291 HydrophobicContact CD2-CG2 4.14Å; F239-I291 HydrophobicContact CE2-CG2 3.79Å; H242-I291 HydrophobicContact CB-CD1 4.03Å; H242-I291 HydrophobicContact CB-CG1 3.66Å; V243-I291 HydrophobicContact CG2-CG2 4.24Å; F246-I291 HydrophobicContact CB-CD1 3.67Å; F246-I291 HydrophobicContact CD2-CD1 4.14Å; F246-I291 HydrophobicContact CG-CD1 3.91Å; T287-I291 VanDerWaalsContact O-CG1 3.31Å; T287-I291 WeakPolarHBondContact O-CG1 3.1Å; T287-I291 PolarHBondContact O-N 2.84Å; L288-I291 WeakPolarHBondContact O-CA 3.47Å; L288-I291 WeakPolarHBondContact O-CB 3.48Å; L288-I291 PolarHBondContact O-N 3.42Å; I291-G293 VanDerWaalsContact C-N 3.35Å; I291-G293 PolarHBondContact O-N 3.18Å; I291-V294 PolarHBondContact O-N 3.09Å; I291-A295 WeakPolarHBondContact O-CB 3.5Å; I291-A295 PolarHBondContact O-N 2.9Å; I291-L317 HydrophobicContact CD1-CD1 4.1Å; I291-L317 HydrophobicContact CG2-CD1 3.95Å |
| 292 | E | 95.7 | Very high | 95.2 | Very high | 59 Ų | 59 | 55.9 Ų | 55.9 | 28% | 0.276 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.4 | -44.7 | 175.4 | -67.6 | 172 | 153.9 | 0 | 0 | 111.3 | L288 V294 A295 D296 R318 | L288-E292 WeakPolarHBondContact O-CG 3.41Å; L288-E292 PolarHBondContact O-N 3.23Å; E292-V294 PolarHBondContact O-N 3.38Å; E292-A295 WeakPolarHBondContact O-CB 3.33Å; E292-A295 PolarHBondContact O-N 2.82Å; E292-D296 PolarHBondContact O-N 2.9Å; E292-R318 WeakPolarHBondContact OE1-CD 3.49Å |
| 293 | G | 94 | Very high | 95.2 | Very high | 46 Ų | 46 | 54.7 Ų | 54.7 | 47% | 0.474 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.4 | -30.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q289 H290 I291 | Q289-G293 PolarHBondContact O-N 3.48Å; Q289-G293 VanDerWaalsContact O-N 3.1Å; H290-G293 PolarHBondContact O-N 2.89Å; I291-G293 VanDerWaalsContact C-N 3.35Å; I291-G293 PolarHBondContact O-N 3.18Å |
| 294 | V | 94.6 | Very high | 95.2 | Very high | 26 Ų | 26 | 55.9 Ų | 55.9 | 16% | 0.158 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -76.9 | -35.2 | 172 | 177.7 | 0 | 0 | 0 | 0 | 110.7 | F239 H290 I291 E292 D296 A297 V298 | F239-V294 HydrophobicContact CB-CG1 3.95Å; H290-V294 WeakPolarHBondContact O-CG2 3.45Å; H290-V294 PolarHBondContact O-N 3.43Å; I291-V294 PolarHBondContact O-N 3.09Å; E292-V294 PolarHBondContact O-N 3.38Å; V294-D296 PolarHBondContact O-N 3.46Å; V294-A297 PolarHBondContact O-N 3.15Å; V294-V298 HydrophobicContact CG1-CG2 4.47Å; V294-V298 WeakPolarHBondContact O-CG2 3.45Å; V294-V298 PolarHBondContact O-N 3.28Å |
| 295 | A | 96.3 | Very high | 95 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.008 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.6 | -49.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | F239 I291 E292 A297 V298 R299 V310 A314 | F239-A295 HydrophobicContact CD2-CB 3.98Å; F239-A295 HydrophobicContact CE2-CB 3.57Å; F239-A295 HydrophobicContact CZ-CB 4.32Å; I291-A295 WeakPolarHBondContact O-CB 3.5Å; I291-A295 PolarHBondContact O-N 2.9Å; E292-A295 WeakPolarHBondContact O-CB 3.33Å; E292-A295 PolarHBondContact O-N 2.82Å; A295-A297 VanDerWaalsContact C-N 3.32Å; A295-A297 PolarHBondContact O-N 2.96Å; A295-V298 PolarHBondContact O-N 3.14Å; A295-V298 VanDerWaalsContact O-N 3.1Å; A295-R299 WeakPolarHBondContact O-CB 3.3Å; A295-R299 WeakPolarHBondContact O-CG 3.41Å; A295-R299 PolarHBondContact O-N 3.11Å; A295-V310 HydrophobicContact CB-CG1 3.95Å; A295-A314 HydrophobicContact CB-CB 4.06Å |
| 296 | D | 93.8 | Very high | 94.9 | Very high | 84 Ų | 84 | 51.6 Ų | 51.6 | 45% | 0.449 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -57.3 | -41.1 | 176.8 | -87 | -18.7 | 0 | 0 | 0 | 113.2 | E292 V294 R299 T300 | E292-D296 PolarHBondContact O-N 2.9Å; V294-D296 PolarHBondContact O-N 3.46Å; D296-R299 PolarHBondContact O-N 3.01Å; D296-R299 IonicContact OD1-CZ 2.93Å; D296-R299 IonicContact OD1-NH1 3.89Å; D296-R299 PolarHBondContact OD1-NH1 2.98Å; D296-T300 PolarHBondContact O-N 3.25Å |
| 297 | A | 92.3 | Very high | 94.9 | Very high | 39 Ų | 39 | 44.9 Ų | 44.9 | 32% | 0.322 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.5 | -49 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V294 A295 R299 T300 | V294-A297 PolarHBondContact O-N 3.15Å; A295-A297 VanDerWaalsContact C-N 3.32Å; A295-A297 PolarHBondContact O-N 2.96Å; A297-R299 VanDerWaalsContact C-N 3.33Å; A297-R299 PolarHBondContact O-N 3.1Å; A297-T300 PolarHBondContact O-N 3.24Å; A297-T300 PolarHBondContact O-OG1 3.03Å |
| 298 | V | 96.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 178.7 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | E235 H236 F239 V294 A295 T300 N301 T302 V310 | E235-V298 VanDerWaalsContact C-CG2 3.46Å; E235-V298 HydrophobicContact CB-CG2 4.06Å; E235-V298 VanDerWaalsContact O-CG2 3.29Å; E235-V298 WeakPolarHBondContact O-CG2 3.38Å; H236-V298 HydrophobicContact CB-CG1 3.95Å; H236-V298 HydrophobicContact CB-CG2 4.34Å; F239-V298 HydrophobicContact CB-CG2 3.95Å; V294-V298 HydrophobicContact CG1-CG2 4.47Å; V294-V298 WeakPolarHBondContact O-CG2 3.45Å; V294-V298 PolarHBondContact O-N 3.28Å; A295-V298 PolarHBondContact O-N 3.14Å; A295-V298 VanDerWaalsContact O-N 3.1Å; V298-T300 VanDerWaalsContact C-N 3.3Å; V298-T300 PolarHBondContact O-N 3.29Å; V298-N301 CarbonylContact O-C 3.58Å; V298-N301 WeakPolarHBondContact O-CA 3.4Å; V298-N301 PolarHBondContact O-N 3.48Å; V298-T302 WeakPolarHBondContact O-CB 3.31Å; V298-T302 PolarHBondContact O-N 2.67Å; V298-T302 PolarHBondContact O-OG1 3.23Å; V298-V310 HydrophobicContact CB-CG1 4.35Å; V298-V310 HydrophobicContact CG1-CG1 4.19Å; V298-V310 HydrophobicContact CG1-CG2 4.09Å |
| 299 | R | 96.4 | Very high | 94.7 | Very high | 83 Ų | 83 | 50.2 Ų | 50.2 | 31% | 0.313 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58 | -37.7 | 179.7 | -72.1 | 169.5 | 73.1 | -137.5 | 6.8 | 112.7 | A295 D296 A297 N301 T302 A307 V310 | A295-R299 WeakPolarHBondContact O-CB 3.3Å; A295-R299 WeakPolarHBondContact O-CG 3.41Å; A295-R299 PolarHBondContact O-N 3.11Å; D296-R299 PolarHBondContact O-N 3.01Å; D296-R299 IonicContact OD1-CZ 2.93Å; D296-R299 IonicContact OD1-NH1 3.89Å; D296-R299 PolarHBondContact OD1-NH1 2.98Å; A297-R299 VanDerWaalsContact C-N 3.33Å; A297-R299 PolarHBondContact O-N 3.1Å; R299-N301 PolarHBondContact O-N 3.18Å; R299-T302 PolarHBondContact O-N 2.73Å; R299-A307 HydrophobicContact CB-CB 3.94Å; R299-A307 HydrophobicContact CG-CB 4.11Å; R299-A307 WeakPolarHBondContact CG-O 3.36Å; R299-A307 PolarHBondContact NE-O 3.13Å; R299-A307 VanDerWaalsContact NE-O 3.07Å; R299-V310 HydrophobicContact CG-CB 4.07Å; R299-V310 HydrophobicContact CG-CG1 3.72Å |
| 300 | T | 93.7 | Very high | 94.7 | Very high | 101 Ų | 101 | 45.5 Ų | 45.5 | 62% | 0.62 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -65.3 | -26.4 | 175.5 | 65.5 | 0 | 0 | 0 | 0 | 113.5 | D296 A297 V298 | D296-T300 PolarHBondContact O-N 3.25Å; A297-T300 PolarHBondContact O-N 3.24Å; A297-T300 PolarHBondContact O-OG1 3.03Å; V298-T300 VanDerWaalsContact C-N 3.3Å; V298-T300 PolarHBondContact O-N 3.29Å |
| 301 | N | 93.2 | Very high | 94.7 | Very high | 36 Ų | 36 | 43.1 Ų | 43.1 | 19% | 0.193 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 30.7 | -176.9 | -66.7 | -33.8 | 0 | 0 | 0 | 112.5 | K163 I232 E235 V298 R299 | K163-N301 WeakPolarHBondContact CE-O 3.41Å; K163-N301 PolarHBondContact NZ-O 3.46Å; I232-N301 HydrophobicContact CB-CB 4.37Å; I232-N301 HydrophobicContact CD1-CB 4.16Å; I232-N301 HydrophobicContact CG1-CB 3.84Å; I232-N301 HydrophobicContact CG2-CB 3.89Å; I232-N301 WeakPolarHBondContact CG2-O 3.37Å; E235-N301 PolarHBondContact OE2-ND2 3.43Å; V298-N301 CarbonylContact O-C 3.58Å; V298-N301 WeakPolarHBondContact O-CA 3.4Å; V298-N301 PolarHBondContact O-N 3.48Å; R299-N301 PolarHBondContact O-N 3.18Å |
| 302 | T | 95.2 | Very high | 94.6 | Very high | 6 Ų | 6 | 49.3 Ų | 49.3 | 4% | 0.037 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -137.6 | 156.6 | -174.8 | -56.4 | 0 | 0 | 0 | 0 | 110.3 | Q157 M158 K163 V298 R299 G306 | Q157-T302 WeakPolarHBondContact O-CG2 3.36Å; M158-T302 VanDerWaalsContact O-CG2 3.23Å; M158-T302 WeakPolarHBondContact O-CG2 3.3Å; K163-T302 PolarHBondContact NZ-OG1 3.13Å; V298-T302 WeakPolarHBondContact O-CB 3.31Å; V298-T302 PolarHBondContact O-N 2.67Å; V298-T302 PolarHBondContact O-OG1 3.23Å; R299-T302 PolarHBondContact O-N 2.73Å; T302-G306 VanDerWaalsContact CG2-C 3.42Å |
| 303 | S | 94 | Very high | 94.6 | Very high | 14 Ų | 14 | 49.4 Ų | 49.4 | 10% | 0.098 | 29% | 0.29 | C | S | . | . | trans | -57.3 | 155.1 | 170.5 | 87.9 | 0 | 0 | 0 | 0 | 110.8 | L156 Q157 M158 A305 G306 A307 | L156-S303 VanDerWaalsContact O-CB 3.24Å; L156-S303 WeakPolarHBondContact O-CB 3.38Å; Q157-S303 PolarHBondContact O-N 2.87Å; M158-S303 VanDerWaalsContact CG-OG 3.29Å; M158-S303 WeakPolarHBondContact CG-OG 3.38Å; S303-A305 VanDerWaalsContact C-N 3.32Å; S303-A305 PolarHBondContact O-N 3.36Å; S303-G306 CarbonylContact O-C 3.58Å; S303-G306 PolarHBondContact O-N 3.27Å; S303-G306 PolarHBondContact OG-N 3.35Å; S303-G306 VanDerWaalsContact OG-N 3.12Å; S303-A307 WeakPolarHBondContact O-CB 3.14Å; S303-A307 PolarHBondContact O-N 2.99Å | ||
| 304 | P | 93.2 | Very high | 94.8 | Very high | 109 Ų | 109 | 47.3 Ų | 47.3 | 71% | 0.708 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -53.4 | -45.2 | 179.6 | -28.7 | 36 | 0 | 0 | 0 | 113.7 | A307 E308 | P304-A307 PolarHBondContact O-N 3.14Å; P304-E308 WeakPolarHBondContact O-CG 3.5Å; P304-E308 PolarHBondContact O-N 3.12Å |
| 305 | A | 92.1 | Very high | 94.9 | Very high | 51 Ų | 51 | 49.6 Ų | 49.6 | 42% | 0.421 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -69.7 | -31.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | M158 S303 A309 | M158-A305 HydrophobicContact SD-CB 3.94Å; S303-A305 VanDerWaalsContact C-N 3.32Å; S303-A305 PolarHBondContact O-N 3.36Å; A305-A309 PolarHBondContact O-N 3.41Å |
| 306 | G | 94.3 | Very high | 94.9 | Very high | 3 Ų | 3 | 55.4 Ų | 55.4 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -73.3 | -31 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T302 S303 E308 A309 V310 | T302-G306 VanDerWaalsContact CG2-C 3.42Å; S303-G306 CarbonylContact O-C 3.58Å; S303-G306 PolarHBondContact O-N 3.27Å; S303-G306 PolarHBondContact OG-N 3.35Å; S303-G306 VanDerWaalsContact OG-N 3.12Å; G306-E308 VanDerWaalsContact C-N 3.33Å; G306-A309 PolarHBondContact O-N 2.69Å; G306-V310 WeakPolarHBondContact O-CB 3.36Å; G306-V310 VanDerWaalsContact O-CG2 3.3Å; G306-V310 WeakPolarHBondContact O-CG2 3.38Å; G306-V310 PolarHBondContact O-N 3.49Å |
| 307 | A | 94.7 | Very high | 95.1 | Very high | 14 Ų | 14 | 51.5 Ų | 51.5 | 12% | 0.116 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -74.7 | -22.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | R299 S303 P304 Q311 | R299-A307 HydrophobicContact CB-CB 3.94Å; R299-A307 HydrophobicContact CG-CB 4.11Å; R299-A307 WeakPolarHBondContact CG-O 3.36Å; R299-A307 PolarHBondContact NE-O 3.13Å; R299-A307 VanDerWaalsContact NE-O 3.07Å; S303-A307 WeakPolarHBondContact O-CB 3.14Å; S303-A307 PolarHBondContact O-N 2.99Å; P304-A307 PolarHBondContact O-N 3.14Å; A307-Q311 WeakPolarHBondContact O-CB 3.26Å; A307-Q311 PolarHBondContact O-N 3.21Å |
| 308 | E | 94.4 | Very high | 95.4 | Very high | 128 Ų | 128 | 52.7 Ų | 52.7 | 60% | 0.598 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -72.5 | -50.1 | 163.6 | -72.5 | 171.9 | 164.6 | 0 | 0 | 110.3 | P304 G306 V310 Q311 E312 | P304-E308 WeakPolarHBondContact O-CG 3.5Å; P304-E308 PolarHBondContact O-N 3.12Å; G306-E308 VanDerWaalsContact C-N 3.33Å; E308-V310 PolarHBondContact O-N 3.43Å; E308-Q311 WeakPolarHBondContact O-CA 3.45Å; E308-Q311 VanDerWaalsContact O-CB 3.3Å; E308-Q311 WeakPolarHBondContact O-CB 3.38Å; E308-Q311 PolarHBondContact O-N 2.81Å; E308-E312 PolarHBondContact O-N 3.16Å |
| 309 | A | 94.8 | Very high | 95.5 | Very high | 42 Ų | 42 | 56.3 Ų | 56.3 | 35% | 0.347 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.1 | -40.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | A305 G306 Q311 E312 E313 | A305-A309 PolarHBondContact O-N 3.41Å; G306-A309 PolarHBondContact O-N 2.69Å; A309-Q311 VanDerWaalsContact C-N 3.31Å; A309-Q311 PolarHBondContact O-N 3.33Å; A309-E312 PolarHBondContact O-N 3.47Å; A309-E313 PolarHBondContact O-N 2.98Å |
| 310 | V | 96.7 | Very high | 95.5 | Very high | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.018 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.7 | -31.5 | 174.8 | 167.5 | 0 | 0 | 0 | 0 | 112 | F239 A295 V298 R299 G306 E308 A314 | F239-V310 HydrophobicContact CD1-CG1 4.31Å; F239-V310 HydrophobicContact CE1-CB 4.39Å; F239-V310 HydrophobicContact CE1-CG1 3.87Å; F239-V310 HydrophobicContact CE1-CG2 4.22Å; F239-V310 HydrophobicContact CE2-CG1 4.31Å; F239-V310 HydrophobicContact CZ-CG1 3.87Å; A295-V310 HydrophobicContact CB-CG1 3.95Å; V298-V310 HydrophobicContact CB-CG1 4.35Å; V298-V310 HydrophobicContact CG1-CG1 4.19Å; V298-V310 HydrophobicContact CG1-CG2 4.09Å; R299-V310 HydrophobicContact CG-CB 4.07Å; R299-V310 HydrophobicContact CG-CG1 3.72Å; G306-V310 WeakPolarHBondContact O-CB 3.36Å; G306-V310 VanDerWaalsContact O-CG2 3.3Å; G306-V310 WeakPolarHBondContact O-CG2 3.38Å; G306-V310 PolarHBondContact O-N 3.49Å; E308-V310 PolarHBondContact O-N 3.43Å; V310-A314 PolarHBondContact O-N 3.28Å |
| 311 | Q | 95.9 | Very high | 95.7 | Very high | 54 Ų | 54 | 49.3 Ų | 49.3 | 25% | 0.252 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -69.5 | -45.2 | 171.9 | -177.9 | 66.9 | 27.1 | 0 | 0 | 110.9 | A307 E308 A309 A314 E315 | A307-Q311 WeakPolarHBondContact O-CB 3.26Å; A307-Q311 PolarHBondContact O-N 3.21Å; E308-Q311 WeakPolarHBondContact O-CA 3.45Å; E308-Q311 VanDerWaalsContact O-CB 3.3Å; E308-Q311 WeakPolarHBondContact O-CB 3.38Å; E308-Q311 PolarHBondContact O-N 2.81Å; A309-Q311 VanDerWaalsContact C-N 3.31Å; A309-Q311 PolarHBondContact O-N 3.33Å; Q311-A314 PolarHBondContact O-N 3.28Å; Q311-E315 PolarHBondContact NE2-OE1 2.64Å; Q311-E315 WeakPolarHBondContact O-CG 3.34Å; Q311-E315 PolarHBondContact O-N 3.25Å |
| 312 | E | 95.4 | Very high | 95.9 | Very high | 135 Ų | 135 | 51.7 Ų | 51.7 | 63% | 0.631 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -61 | -46.2 | 177.2 | -69.8 | -177.3 | 155.2 | 0 | 0 | 111.4 | E308 A309 A314 E315 E316 | E308-E312 PolarHBondContact O-N 3.16Å; A309-E312 PolarHBondContact O-N 3.47Å; E312-A314 VanDerWaalsContact C-N 3.34Å; E312-A314 PolarHBondContact O-N 2.98Å; E312-E315 PolarHBondContact O-N 2.85Å; E312-E316 WeakPolarHBondContact O-CG 3.42Å; E312-E316 PolarHBondContact O-N 3.25Å |
| 313 | E | 96.1 | Very high | 96 | Very high | 61 Ų | 61 | 58.9 Ų | 58.9 | 29% | 0.285 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -55.5 | -46.4 | 174 | -81.2 | -170.8 | -147.7 | 0 | 0 | 111.7 | F239 A309 E316 L317 | F239-E313 HydrophobicContact CE1-CB 4.29Å; F239-E313 HydrophobicContact CZ-CB 4.02Å; A309-E313 PolarHBondContact O-N 2.98Å; E313-E316 PolarHBondContact O-N 3.49Å; E313-L317 WeakPolarHBondContact O-CG 3.24Å; E313-L317 PolarHBondContact O-N 2.93Å |
| 314 | A | 96.9 | Very high | 96.2 | Very high | 3 Ų | 3 | 58.5 Ų | 58.5 | 3% | 0.025 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.8 | -41 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F239 A295 V310 Q311 E312 L317 R318 | F239-A314 HydrophobicContact CE2-CB 4.47Å; A295-A314 HydrophobicContact CB-CB 4.06Å; V310-A314 PolarHBondContact O-N 3.28Å; Q311-A314 PolarHBondContact O-N 3.28Å; E312-A314 VanDerWaalsContact C-N 3.34Å; E312-A314 PolarHBondContact O-N 2.98Å; A314-L317 WeakPolarHBondContact O-CB 3.29Å; A314-L317 PolarHBondContact O-N 2.87Å; A314-R318 PolarHBondContact O-N 2.9Å |
| 315 | E | 97 | Very high | 96.4 | Very high | 73 Ų | 73 | 56 Ų | 56 | 34% | 0.341 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -69.8 | -31.7 | 177.5 | -72.1 | -160.4 | -135.9 | 0 | 0 | 113.2 | Q311 E312 L317 R318 L319 | Q311-E315 PolarHBondContact NE2-OE1 2.64Å; Q311-E315 WeakPolarHBondContact O-CG 3.34Å; Q311-E315 PolarHBondContact O-N 3.25Å; E312-E315 PolarHBondContact O-N 2.85Å; E315-L317 VanDerWaalsContact C-N 3.32Å; E315-L317 PolarHBondContact O-N 2.93Å; E315-R318 PolarHBondContact O-N 3.05Å; E315-R318 IonicContact OE2-CZ 2.65Å; E315-R318 IonicContact OE2-NH2 3.36Å; E315-R318 PolarHBondContact OE2-NH2 2.73Å; E315-L319 WeakPolarHBondContact O-CB 3.47Å; E315-L319 VanDerWaalsContact O-CG 3.23Å; E315-L319 WeakPolarHBondContact O-CG 3.34Å; E315-L319 PolarHBondContact O-N 2.92Å |
| 316 | E | 97.4 | Very high | 96.5 | Very high | 123 Ų | 123 | 58.9 Ų | 58.9 | 58% | 0.575 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -60.9 | -40 | 170.5 | -77.6 | -159.9 | 156.2 | 0 | 0 | 112 | E312 E313 G320 | E312-E316 WeakPolarHBondContact O-CG 3.42Å; E312-E316 PolarHBondContact O-N 3.25Å; E313-E316 PolarHBondContact O-N 3.49Å; E316-G320 PolarHBondContact O-N 2.76Å |
| 317 | L | 97.9 | Very high | 96.6 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.016 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.5 | -45.5 | 174.4 | -56.8 | -172.7 | 0 | 0 | 0 | 111.6 | V243 F246 Q247 L288 I291 E313 A314 E315 L319 G320 W321 | V243-L317 HydrophobicContact CB-CD1 4.36Å; V243-L317 HydrophobicContact CG1-CD1 4.34Å; V243-L317 HydrophobicContact CG1-CD2 4.42Å; V243-L317 HydrophobicContact CG2-CD1 4.07Å; F246-L317 HydrophobicContact CB-CD1 4.31Å; F246-L317 HydrophobicContact CD1-CB 3.98Å; F246-L317 HydrophobicContact CD1-CD1 4.05Å; F246-L317 HydrophobicContact CD1-CD2 4.28Å; F246-L317 HydrophobicContact CD1-CG 4.32Å; F246-L317 HydrophobicContact CE1-CB 4.2Å; Q247-L317 HydrophobicContact CG-CD2 3.39Å; L288-L317 HydrophobicContact CD1-CB 3.86Å; I291-L317 HydrophobicContact CD1-CD1 4.1Å; I291-L317 HydrophobicContact CG2-CD1 3.95Å; E313-L317 WeakPolarHBondContact O-CG 3.24Å; E313-L317 PolarHBondContact O-N 2.93Å; A314-L317 WeakPolarHBondContact O-CB 3.29Å; A314-L317 PolarHBondContact O-N 2.87Å; E315-L317 VanDerWaalsContact C-N 3.32Å; E315-L317 PolarHBondContact O-N 2.93Å; L317-L319 VanDerWaalsContact C-N 3.35Å; L317-L319 PolarHBondContact O-N 3.41Å; L317-G320 WeakPolarHBondContact O-CA 3.29Å; L317-G320 PolarHBondContact O-N 3.05Å; L317-G320 VanDerWaalsContact O-N 3.1Å; L317-W321 PolarHBondContact O-N 3.11Å |
| 318 | R | 98.1 | Very high | 96.7 | Very high | 63 Ų | 63 | 59.2 Ų | 59.2 | 24% | 0.238 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.2 | -46.4 | 177.2 | -174.2 | -174.5 | 57.5 | 67 | -2.7 | 111 | L288 E292 A314 E315 G320 Q322 | L288-R318 HydrophobicContact CD1-CB 4.28Å; L288-R318 HydrophobicContact CD2-CB 4.25Å; L288-R318 HydrophobicContact CD2-CG 4.26Å; E292-R318 WeakPolarHBondContact OE1-CD 3.49Å; A314-R318 PolarHBondContact O-N 2.9Å; E315-R318 PolarHBondContact O-N 3.05Å; E315-R318 IonicContact OE2-CZ 2.65Å; E315-R318 IonicContact OE2-NH2 3.36Å; E315-R318 PolarHBondContact OE2-NH2 2.73Å; R318-G320 VanDerWaalsContact C-N 3.33Å; R318-Q322 VanDerWaalsContact NH1-OE1 3.08Å; R318-Q322 WeakPolarHBondContact O-CB 3.36Å; R318-Q322 VanDerWaalsContact O-CG 3.25Å; R318-Q322 WeakPolarHBondContact O-CG 3.41Å; R318-Q322 PolarHBondContact O-N 2.72Å |
| 319 | L | 97.8 | Very high | 96.7 | Very high | 78 Ų | 78 | 56 Ų | 56 | 41% | 0.408 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.3 | -31.9 | 174.7 | -69.5 | 170.8 | 0 | 0 | 0 | 112.1 | E315 L317 R323 | E315-L319 WeakPolarHBondContact O-CB 3.47Å; E315-L319 VanDerWaalsContact O-CG 3.23Å; E315-L319 WeakPolarHBondContact O-CG 3.34Å; E315-L319 PolarHBondContact O-N 2.92Å; L317-L319 VanDerWaalsContact C-N 3.35Å; L317-L319 PolarHBondContact O-N 3.41Å; L319-R323 WeakPolarHBondContact O-CB 3.45Å; L319-R323 VanDerWaalsContact O-CG 3.26Å; L319-R323 WeakPolarHBondContact O-CG 3.41Å; L319-R323 PolarHBondContact O-N 3.12Å; L319-R323 PolarHBondContact O-NE 3.32Å |
| 320 | G | 97.4 | Very high | 96.7 | Very high | 12 Ų | 12 | 59.4 Ų | 59.4 | 12% | 0.124 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.9 | -48.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E316 L317 R318 R323 L324 | E316-G320 PolarHBondContact O-N 2.76Å; L317-G320 WeakPolarHBondContact O-CA 3.29Å; L317-G320 PolarHBondContact O-N 3.05Å; L317-G320 VanDerWaalsContact O-N 3.1Å; R318-G320 VanDerWaalsContact C-N 3.33Å; G320-R323 VanDerWaalsContact CA-NH2 3.32Å; G320-R323 PolarHBondContact O-N 3.13Å; G320-L324 PolarHBondContact O-N 3.32Å |
| 321 | W | 98.1 | Very high | 96.6 | Very high | 25 Ų | 25 | 60 Ų | 60 | 10% | 0.095 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 173.9 | 179.6 | 86.5 | 0 | 0 | 0 | 111.7 | F246 L250 V281 E285 L288 L317 R323 L324 R325 | F246-W321 HydrophobicContact CE1-CB 4.27Å; F246-W321 HydrophobicContact CZ-CB 4.29Å; F246-W321 HydrophobicContact CZ-CG 4.45Å; L250-W321 HydrophobicContact CD2-CB 4.07Å; V281-W321 PolarHBondContact O-NE1 3.22Å; E285-W321 HydrophobicContact CB-CH2 4.11Å; E285-W321 HydrophobicContact CB-CZ2 3.68Å; E285-W321 HydrophobicContact CG-CH2 3.72Å; E285-W321 HydrophobicContact CG-CZ2 3.83Å; E285-W321 HydrophobicContact CG-CZ3 4.32Å; L288-W321 HydrophobicContact CD2-CB 4.12Å; L288-W321 HydrophobicContact CD2-CD2 4.25Å; L288-W321 HydrophobicContact CD2-CE3 4.2Å; L288-W321 HydrophobicContact CD2-CG 4.23Å; L317-W321 PolarHBondContact O-N 3.11Å; W321-R323 PolarHBondContact O-N 3.02Å; W321-L324 PolarHBondContact O-N 3Å; W321-R325 HydrophobicContact CD2-CG 3.88Å; W321-R325 HydrophobicContact CE3-CG 4.12Å; W321-R325 HydrophobicContact CH2-CG 3.96Å; W321-R325 HydrophobicContact CZ2-CG 3.69Å; W321-R325 HydrophobicContact CZ3-CG 4.16Å; W321-R325 WeakPolarHBondContact O-CG 3.49Å; W321-R325 PolarHBondContact O-N 2.97Å |
| 322 | Q | 97.3 | Very high | 96.5 | Very high | 86 Ų | 86 | 59.8 Ų | 59.8 | 40% | 0.402 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 175.5 | -75.1 | 177 | -11.4 | 0 | 0 | 112.5 | R318 R325 Q326 | R318-Q322 VanDerWaalsContact NH1-OE1 3.08Å; R318-Q322 WeakPolarHBondContact O-CB 3.36Å; R318-Q322 VanDerWaalsContact O-CG 3.25Å; R318-Q322 WeakPolarHBondContact O-CG 3.41Å; R318-Q322 PolarHBondContact O-N 2.72Å; Q322-R325 PolarHBondContact O-N 2.99Å; Q322-Q326 WeakPolarHBondContact O-CB 3.46Å; Q322-Q326 PolarHBondContact O-N 2.73Å |
| 323 | R | 97 | Very high | 96.3 | Very high | 157 Ų | 157 | 59 Ų | 59 | 59% | 0.592 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.1 | -41.6 | 173.5 | -79.4 | 172.2 | -74.2 | 159.9 | -7.9 | 112.4 | L319 G320 W321 Q326 G327 | L319-R323 WeakPolarHBondContact O-CB 3.45Å; L319-R323 VanDerWaalsContact O-CG 3.26Å; L319-R323 WeakPolarHBondContact O-CG 3.41Å; L319-R323 PolarHBondContact O-N 3.12Å; L319-R323 PolarHBondContact O-NE 3.32Å; G320-R323 VanDerWaalsContact CA-NH2 3.32Å; G320-R323 PolarHBondContact O-N 3.13Å; W321-R323 PolarHBondContact O-N 3.02Å; R323-Q326 PolarHBondContact O-N 3.41Å; R323-G327 PolarHBondContact O-N 2.93Å |
| 324 | L | 97.2 | Very high | 96.1 | Very high | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.5 | -48.2 | 175.8 | 177.7 | 58.7 | 0 | 0 | 0 | 111.5 | L250 K253 L257 V281 G320 W321 Q326 G327 L328 | L250-L324 HydrophobicContact CD2-CD2 4.08Å; K253-L324 HydrophobicContact CB-CD2 3.72Å; L257-L324 HydrophobicContact CD2-CD1 4.22Å; V281-L324 HydrophobicContact CG1-CD2 3.92Å; V281-L324 HydrophobicContact CG1-CG 4.11Å; V281-L324 HydrophobicContact CG2-CD2 3.88Å; V281-L324 HydrophobicContact CG2-CG 4.42Å; G320-L324 PolarHBondContact O-N 3.32Å; W321-L324 PolarHBondContact O-N 3Å; L324-Q326 VanDerWaalsContact C-N 3.33Å; L324-Q326 PolarHBondContact O-N 3.15Å; L324-G327 PolarHBondContact O-N 3.46Å; L324-L328 HydrophobicContact CD1-CD1 4.3Å; L324-L328 HydrophobicContact CD1-CG 4.39Å; L324-L328 HydrophobicContact CG-CD1 4.13Å; L324-L328 VanDerWaalsContact O-CG 3.26Å; L324-L328 WeakPolarHBondContact O-CG 3.23Å; L324-L328 PolarHBondContact O-N 2.84Å |
| 325 | R | 96.9 | Very high | 95.9 | Very high | 57 Ų | 57 | 59 Ų | 59 | 22% | 0.215 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55.1 | -45.4 | 173.5 | -71.8 | -68.4 | -55.2 | 171.8 | 18.2 | 111.8 | D278 V281 W321 Q322 L328 C329 | D278-R325 VanDerWaalsContact CG-CZ 3.48Å; D278-R325 PolarHBondContact O-NH1 3.5Å; D278-R325 IonicContact OD1-CZ 2.77Å; D278-R325 IonicContact OD1-NE 3.93Å; D278-R325 IonicContact OD1-NH1 2.71Å; D278-R325 PolarHBondContact OD1-NH1 3.33Å; D278-R325 IonicContact OD1-NH2 3.71Å; D278-R325 PolarHBondContact OD1-NH2 3.13Å; D278-R325 IonicContact OD2-CZ 2.45Å; D278-R325 IonicContact OD2-NH1 3.69Å; D278-R325 PolarHBondContact OD2-NH1 2.92Å; D278-R325 IonicContact OD2-NH2 3.4Å; D278-R325 PolarHBondContact OD2-NH2 2.66Å; V281-R325 HydrophobicContact CG1-CG 4.17Å; W321-R325 HydrophobicContact CD2-CG 3.88Å; W321-R325 HydrophobicContact CE3-CG 4.12Å; W321-R325 HydrophobicContact CH2-CG 3.96Å; W321-R325 HydrophobicContact CZ2-CG 3.69Å; W321-R325 HydrophobicContact CZ3-CG 4.16Å; W321-R325 WeakPolarHBondContact O-CG 3.49Å; W321-R325 PolarHBondContact O-N 2.97Å; Q322-R325 PolarHBondContact O-N 2.99Å; R325-L328 PolarHBondContact O-N 2.87Å; R325-C329 PolarHBondContact O-N 2.94Å; R325-C329 VanDerWaalsContact O-N 3.09Å; R325-C329 PolarHBondContact O-SG 3.42Å; R325-C329 VanDerWaalsContact O-SG 3.36Å |
| 326 | Q | 96.1 | Very high | 95.7 | Very high | 112 Ų | 112 | 61.5 Ų | 61.5 | 52% | 0.523 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.9 | -47.9 | 177 | 180 | 176.1 | -12.8 | 0 | 0 | 111.5 | Q322 R323 L324 L328 C329 E330 | Q322-Q326 WeakPolarHBondContact O-CB 3.46Å; Q322-Q326 PolarHBondContact O-N 2.73Å; R323-Q326 PolarHBondContact O-N 3.41Å; L324-Q326 VanDerWaalsContact C-N 3.33Å; L324-Q326 PolarHBondContact O-N 3.15Å; Q326-L328 VanDerWaalsContact C-N 3.28Å; Q326-L328 PolarHBondContact O-N 3.31Å; Q326-C329 PolarHBondContact O-N 3.25Å; Q326-C329 VanDerWaalsContact O-N 3.15Å; Q326-E330 HydrophobicContact CG-CG 4.31Å; Q326-E330 WeakPolarHBondContact CG-OE1 3.49Å; Q326-E330 PolarHBondContact NE2-OE1 2.91Å; Q326-E330 WeakPolarHBondContact O-CG 3.24Å; Q326-E330 PolarHBondContact O-N 3.34Å |
| 327 | G | 96.1 | Very high | 95.3 | Very high | 21 Ų | 21 | 59.6 Ų | 59.6 | 22% | 0.216 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62 | -32.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | R323 L324 A331 | R323-G327 PolarHBondContact O-N 2.93Å; L324-G327 PolarHBondContact O-N 3.46Å; G327-A331 WeakPolarHBondContact O-CB 3.45Å; G327-A331 PolarHBondContact O-N 3.29Å |
| 328 | L | 96.1 | Very high | 94.9 | Very high | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.016 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.3 | -45.4 | 172.6 | -68.6 | 162.9 | 0 | 0 | 0 | 111.5 | L257 L274 L277 D278 V281 L324 R325 Q326 A331 E332 | L257-L328 HydrophobicContact CB-CD2 4.41Å; L257-L328 HydrophobicContact CD1-CD2 3.99Å; L257-L328 HydrophobicContact CD2-CD2 3.99Å; L257-L328 HydrophobicContact CD2-CG 4.11Å; L257-L328 HydrophobicContact CG-CD2 4.35Å; L274-L328 HydrophobicContact CD2-CB 4.32Å; L274-L328 HydrophobicContact CD2-CD2 3.6Å; L277-L328 HydrophobicContact CB-CD2 4.42Å; L277-L328 HydrophobicContact CD2-CD2 3.66Å; L277-L328 HydrophobicContact CG-CD2 3.73Å; D278-L328 HydrophobicContact CB-CD1 4.4Å; V281-L328 HydrophobicContact CB-CD1 3.95Å; V281-L328 HydrophobicContact CG1-CD1 3.93Å; V281-L328 HydrophobicContact CG2-CD1 4.02Å; L324-L328 HydrophobicContact CD1-CD1 4.3Å; L324-L328 HydrophobicContact CD1-CG 4.39Å; L324-L328 HydrophobicContact CG-CD1 4.13Å; L324-L328 VanDerWaalsContact O-CG 3.26Å; L324-L328 WeakPolarHBondContact O-CG 3.23Å; L324-L328 PolarHBondContact O-N 2.84Å; R325-L328 PolarHBondContact O-N 2.87Å; Q326-L328 VanDerWaalsContact C-N 3.28Å; Q326-L328 PolarHBondContact O-N 3.31Å; L328-A331 PolarHBondContact O-N 3.18Å; L328-E332 PolarHBondContact O-N 3.19Å |
| 329 | C | 94.8 | Very high | 94.5 | Very high | 60 Ų | 60 | 61.9 Ų | 61.9 | 41% | 0.405 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.5 | -46.7 | 176.1 | -64.9 | 0 | 0 | 0 | 0 | 112.3 | R325 Q326 A331 E332 E333 | R325-C329 PolarHBondContact O-N 2.94Å; R325-C329 VanDerWaalsContact O-N 3.09Å; R325-C329 PolarHBondContact O-SG 3.42Å; R325-C329 VanDerWaalsContact O-SG 3.36Å; Q326-C329 PolarHBondContact O-N 3.25Å; Q326-C329 VanDerWaalsContact O-N 3.15Å; C329-A331 VanDerWaalsContact C-N 3.25Å; C329-A331 PolarHBondContact O-N 3.19Å; C329-E332 PolarHBondContact O-N 3.05Å; C329-E333 WeakPolarHBondContact O-CB 3.18Å; C329-E333 WeakPolarHBondContact O-CG 3.36Å; C329-E333 PolarHBondContact O-N 3.33Å |
| 330 | E | 94.8 | Very high | 94.1 | Very high | 113 Ų | 113 | 62 Ų | 62 | 53% | 0.528 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.8 | -35.5 | 177.4 | -72.2 | 176 | -178.2 | 0 | 0 | 111.8 | Q326 G334 | Q326-E330 HydrophobicContact CG-CG 4.31Å; Q326-E330 WeakPolarHBondContact CG-OE1 3.49Å; Q326-E330 PolarHBondContact NE2-OE1 2.91Å; Q326-E330 WeakPolarHBondContact O-CG 3.24Å; Q326-E330 PolarHBondContact O-N 3.34Å; E330-G334 PolarHBondContact O-N 3.27Å |
| 331 | A | 94.1 | Very high | 93.6 | Very high | 17 Ų | 17 | 63.2 Ų | 63.2 | 14% | 0.14 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -72.2 | -40 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L257 M261 L274 G327 L328 C329 L335 | L257-A331 HydrophobicContact CD1-CB 4.01Å; M261-A331 HydrophobicContact CG-CB 4.44Å; M261-A331 HydrophobicContact SD-CB 3.86Å; L274-A331 HydrophobicContact CD1-CB 3.85Å; L274-A331 HydrophobicContact CD2-CB 4.07Å; G327-A331 WeakPolarHBondContact O-CB 3.45Å; G327-A331 PolarHBondContact O-N 3.29Å; L328-A331 PolarHBondContact O-N 3.18Å; C329-A331 VanDerWaalsContact C-N 3.25Å; C329-A331 PolarHBondContact O-N 3.19Å; A331-L335 WeakPolarHBondContact O-CB 3.34Å; A331-L335 WeakPolarHBondContact O-CG 3.49Å; A331-L335 PolarHBondContact O-N 2.9Å |
| 332 | E | 93.7 | Very high | 93.2 | Very high | 49 Ų | 49 | 66.4 Ų | 66.4 | 23% | 0.229 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.8 | -47.2 | 172.5 | -166.4 | -167.7 | 152.4 | 0 | 0 | 110.9 | L271 K275 L328 C329 G334 L335 R336 | L271-E332 HydrophobicContact CD1-CG 3.6Å; L271-E332 HydrophobicContact CG-CG 3.98Å; K275-E332 WeakPolarHBondContact CE-OE1 3.28Å; K275-E332 WeakPolarHBondContact CE-OE2 3.42Å; K275-E332 IonicContact NZ-OE1 3.38Å; K275-E332 PolarHBondContact NZ-OE1 3.44Å; K275-E332 IonicContact NZ-OE2 3.83Å; L328-E332 PolarHBondContact O-N 3.19Å; C329-E332 PolarHBondContact O-N 3.05Å; E332-G334 PolarHBondContact O-N 3.23Å; E332-L335 PolarHBondContact O-N 3.47Å; E332-R336 WeakPolarHBondContact O-CB 3.18Å; E332-R336 PolarHBondContact O-N 3.04Å |
| 333 | E | 92.1 | Very high | 92.8 | Very high | 117 Ų | 117 | 65.5 Ų | 65.5 | 55% | 0.547 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 179 | -71.3 | -168.5 | 165.2 | 0 | 0 | 111.6 | C329 L335 R336 C337 | C329-E333 WeakPolarHBondContact O-CB 3.18Å; C329-E333 WeakPolarHBondContact O-CG 3.36Å; C329-E333 PolarHBondContact O-N 3.33Å; E333-L335 PolarHBondContact O-N 2.75Å; E333-R336 PolarHBondContact O-N 2.98Å; E333-C337 WeakPolarHBondContact O-CB 3.47Å; E333-C337 PolarHBondContact O-N 3.41Å; E333-C337 PolarHBondContact O-SG 3.02Å |
| 334 | G | 91.6 | Very high | 92.4 | Very high | 44 Ų | 44 | 62.8 Ų | 62.8 | 45% | 0.454 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.2 | -45.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | E330 E332 S338 | E330-G334 PolarHBondContact O-N 3.27Å; E332-G334 PolarHBondContact O-N 3.23Å; G334-S338 WeakPolarHBondContact O-CB 3.37Å; G334-S338 PolarHBondContact O-N 3.32Å |
| 335 | L | 92 | Very high | 92.1 | Very high | 21 Ų | 21 | 63.4 Ų | 63.4 | 11% | 0.11 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.5 | -39.3 | 175.1 | -72 | 173.8 | 0 | 0 | 0 | 112.5 | M261 P267 K270 L271 L274 A331 E332 E333 S338 L339 | M261-L335 HydrophobicContact CE-CD1 4.17Å; M261-L335 HydrophobicContact SD-CD1 4.32Å; P267-L335 HydrophobicContact CB-CD2 4.13Å; K270-L335 HydrophobicContact CB-CD1 3.55Å; K270-L335 HydrophobicContact CB-CD2 4.3Å; K270-L335 HydrophobicContact CD-CD1 4.47Å; K270-L335 HydrophobicContact CD-CD2 3.95Å; L271-L335 HydrophobicContact CB-CD1 4.29Å; L271-L335 HydrophobicContact CD1-CB 4.15Å; L274-L335 HydrophobicContact CD1-CD1 3.51Å; A331-L335 WeakPolarHBondContact O-CB 3.34Å; A331-L335 WeakPolarHBondContact O-CG 3.49Å; A331-L335 PolarHBondContact O-N 2.9Å; E332-L335 PolarHBondContact O-N 3.47Å; E333-L335 PolarHBondContact O-N 2.75Å; L335-S338 WeakPolarHBondContact O-CB 3.33Å; L335-S338 PolarHBondContact O-N 2.98Å; L335-L339 WeakPolarHBondContact O-CB 3.35Å; L335-L339 PolarHBondContact O-N 3.44Å |
| 336 | R | 92.8 | Very high | 91.7 | Very high | 125 Ų | 125 | 63 Ų | 63 | 47% | 0.472 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68.8 | -40.6 | 179 | -156.9 | 173.7 | 82.2 | -140.9 | 1.8 | 111.4 | L271 E332 E333 S338 L339 D340 | L271-R336 HydrophobicContact CD1-CB 4.24Å; E332-R336 WeakPolarHBondContact O-CB 3.18Å; E332-R336 PolarHBondContact O-N 3.04Å; E333-R336 PolarHBondContact O-N 2.98Å; R336-S338 VanDerWaalsContact C-N 3.33Å; R336-S338 PolarHBondContact O-N 3.45Å; R336-L339 PolarHBondContact O-N 2.98Å; R336-D340 WeakPolarHBondContact O-CB 3.41Å; R336-D340 VanDerWaalsContact O-CG 3.31Å; R336-D340 PolarHBondContact O-N 3.28Å |
| 337 | C | 90.1 | Very high | 91.5 | Very high | 84 Ų | 84 | 60.8 Ų | 60.8 | 57% | 0.568 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -62.3 | -38.2 | 171.3 | -71.5 | 0 | 0 | 0 | 0 | 112.4 | E333 S341 | E333-C337 WeakPolarHBondContact O-CB 3.47Å; E333-C337 PolarHBondContact O-N 3.41Å; E333-C337 PolarHBondContact O-SG 3.02Å; C337-S341 VanDerWaalsContact O-CB 3.31Å; C337-S341 WeakPolarHBondContact O-CB 3.29Å; C337-S341 PolarHBondContact O-N 2.89Å; C337-S341 PolarHBondContact O-OG 2.95Å |
| 338 | S | 88.1 | Confident | 91.3 | Very high | 62 Ų | 62 | 64.2 Ų | 64.2 | 43% | 0.434 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.6 | -50.1 | 173.1 | -173.9 | 0 | 0 | 0 | 0 | 111.2 | G334 L335 R336 D340 S341 H342 | G334-S338 WeakPolarHBondContact O-CB 3.37Å; G334-S338 PolarHBondContact O-N 3.32Å; L335-S338 WeakPolarHBondContact O-CB 3.33Å; L335-S338 PolarHBondContact O-N 2.98Å; R336-S338 VanDerWaalsContact C-N 3.33Å; R336-S338 PolarHBondContact O-N 3.45Å; S338-D340 PolarHBondContact O-N 2.9Å; S338-S341 PolarHBondContact O-N 3.36Å; S338-S341 VanDerWaalsContact O-N 3.13Å; S338-S341 PolarHBondContact O-OG 2.96Å; S338-H342 PolarHBondContact O-N 3.09Å |
| 339 | L | 90.2 | Very high | 91 | Very high | 52 Ų | 52 | 64.8 Ų | 64.8 | 27% | 0.272 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.9 | -43 | 177.7 | -172.9 | 65.1 | 0 | 0 | 0 | 112.7 | P267 E268 L335 R336 S341 H342 S343 | P267-L339 HydrophobicContact CG-CD1 4.24Å; E268-L339 HydrophobicContact CG-CD1 4.24Å; E268-L339 HydrophobicContact CG-CD2 4.2Å; L335-L339 WeakPolarHBondContact O-CB 3.35Å; L335-L339 PolarHBondContact O-N 3.44Å; R336-L339 PolarHBondContact O-N 2.98Å; L339-S341 VanDerWaalsContact C-N 3.3Å; L339-S341 PolarHBondContact O-N 3.39Å; L339-H342 PolarHBondContact O-N 2.78Å; L339-S343 WeakPolarHBondContact O-CB 3.18Å; L339-S343 PolarHBondContact O-N 3.23Å |
| 340 | D | 89.3 | Confident | 90.8 | Very high | 80 Ų | 80 | 67.5 Ų | 67.5 | 43% | 0.428 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.2 | -34.1 | 174.7 | -75.5 | -25.5 | 0 | 0 | 0 | 111.7 | R336 S338 Q344 | R336-D340 WeakPolarHBondContact O-CB 3.41Å; R336-D340 VanDerWaalsContact O-CG 3.31Å; R336-D340 PolarHBondContact O-N 3.28Å; S338-D340 PolarHBondContact O-N 2.9Å; D340-Q344 WeakPolarHBondContact O-CB 3.45Å; D340-Q344 VanDerWaalsContact O-CG 3.28Å; D340-Q344 WeakPolarHBondContact O-CG 3.29Å; D340-Q344 PolarHBondContact O-N 3.39Å; D340-Q344 PolarHBondContact O-NE2 2.7Å |
| 341 | S | 88 | Confident | 90.7 | Very high | 38 Ų | 38 | 69 Ų | 69 | 27% | 0.266 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -71.6 | -41.4 | 175.3 | 78.4 | 0 | 0 | 0 | 0 | 112 | C337 S338 L339 Q344 Y345 F421 | C337-S341 VanDerWaalsContact O-CB 3.31Å; C337-S341 WeakPolarHBondContact O-CB 3.29Å; C337-S341 PolarHBondContact O-N 2.89Å; C337-S341 PolarHBondContact O-OG 2.95Å; S338-S341 PolarHBondContact O-N 3.36Å; S338-S341 VanDerWaalsContact O-N 3.13Å; S338-S341 PolarHBondContact O-OG 2.96Å; L339-S341 VanDerWaalsContact C-N 3.3Å; L339-S341 PolarHBondContact O-N 3.39Å; S341-Q344 PolarHBondContact O-N 2.86Å; S341-Y345 PolarHBondContact O-N 3.35Å; S341-F421 WeakPolarHBondContact O-CD1 3.43Å; S341-F421 VanDerWaalsContact O-CE1 3.22Å; S341-F421 WeakPolarHBondContact O-CE1 3.2Å |
| 342 | H | 88.1 | Confident | 90.7 | Very high | 91 Ų | 91 | 68.3 Ų | 68.3 | 42% | 0.421 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.4 | -43.7 | 175.2 | -173.1 | 62.6 | 0 | 0 | 0 | 111.4 | S338 L339 Q344 Y345 V346 E423 | S338-H342 PolarHBondContact O-N 3.09Å; L339-H342 PolarHBondContact O-N 2.78Å; H342-Q344 VanDerWaalsContact C-N 3.32Å; H342-Q344 PolarHBondContact O-N 2.64Å; H342-Y345 WeakPolarHBondContact O-CB 3.35Å; H342-Y345 PolarHBondContact O-N 3.18Å; H342-Y345 VanDerWaalsContact O-N 3.17Å; H342-V346 WeakPolarHBondContact O-CG2 3.43Å; H342-V346 PolarHBondContact O-N 3.27Å; H342-E423 IonicContact CE1-OE1 3.4Å; H342-E423 IonicContact CG-OE1 3.88Å; H342-E423 IonicContact ND1-OE1 3.67Å; H342-E423 PolarHBondContact ND1-OE1 3.41Å |
| 343 | S | 88.9 | Confident | 90.6 | Very high | 68 Ų | 68 | 67.5 Ų | 67.5 | 48% | 0.476 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.6 | -42.7 | 173.9 | -174.8 | 0 | 0 | 0 | 0 | 112 | L339 T347 | L339-S343 WeakPolarHBondContact O-CB 3.18Å; L339-S343 PolarHBondContact O-N 3.23Å; S343-T347 WeakPolarHBondContact O-CB 3.38Å; S343-T347 PolarHBondContact O-N 2.98Å; S343-T347 PolarHBondContact O-OG1 3.43Å |
| 344 | Q | 89.7 | Confident | 90.7 | Very high | 99 Ų | 99 | 67.5 Ų | 67.5 | 46% | 0.463 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.2 | -40.1 | 173.9 | -78.2 | 176 | 71.6 | 0 | 0 | 112.9 | D340 S341 H342 R348 F421 | D340-Q344 WeakPolarHBondContact O-CB 3.45Å; D340-Q344 VanDerWaalsContact O-CG 3.28Å; D340-Q344 WeakPolarHBondContact O-CG 3.29Å; D340-Q344 PolarHBondContact O-N 3.39Å; D340-Q344 PolarHBondContact O-NE2 2.7Å; S341-Q344 PolarHBondContact O-N 2.86Å; H342-Q344 VanDerWaalsContact C-N 3.32Å; H342-Q344 PolarHBondContact O-N 2.64Å; Q344-R348 WeakPolarHBondContact O-CB 3.46Å; Q344-R348 WeakPolarHBondContact O-CD 3.37Å; Q344-R348 WeakPolarHBondContact O-CG 3.41Å; Q344-R348 PolarHBondContact O-N 3.29Å; Q344-F421 HydrophobicContact CB-CE1 4.05Å; Q344-F421 HydrophobicContact CB-CZ 4.11Å |
| 345 | Y | 89.9 | Confident | 90.7 | Very high | 18 Ų | 18 | 66.4 Ų | 66.4 | 7% | 0.071 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.2 | -54.9 | 174.4 | 174.4 | -103.9 | 0 | 0 | 0 | 110.5 | S341 H342 T347 R348 C349 L418 F421 E423 D424 | S341-Y345 PolarHBondContact O-N 3.35Å; H342-Y345 WeakPolarHBondContact O-CB 3.35Å; H342-Y345 PolarHBondContact O-N 3.18Å; H342-Y345 VanDerWaalsContact O-N 3.17Å; Y345-T347 VanDerWaalsContact C-N 3.34Å; Y345-T347 PolarHBondContact O-N 2.71Å; Y345-R348 PolarHBondContact O-N 3.34Å; Y345-R348 VanDerWaalsContact O-N 3.14Å; Y345-C349 WeakPolarHBondContact CE2-SG 3.41Å; Y345-C349 WeakPolarHBondContact O-CB 3.39Å; Y345-C349 PolarHBondContact O-N 3.22Å; Y345-C349 PolarHBondContact O-SG 3.12Å; Y345-L418 HydrophobicContact CD2-CD2 3.97Å; Y345-L418 HydrophobicContact CE2-CB 4.42Å; Y345-L418 HydrophobicContact CE2-CD2 4.13Å; Y345-F421 HydrophobicContact CD2-CB 3.72Å; Y345-F421 AromaticContact CD2-CD2 3.96Å; Y345-F421 HydrophobicContact CD2-CD2 3.96Å; Y345-F421 AromaticContact CD2-CG 3.85Å; Y345-F421 HydrophobicContact CD2-CG 3.85Å; Y345-F421 HydrophobicContact CE2-CB 4.45Å; Y345-F421 HydrophobicContact CG-CB 4.29Å; Y345-F421 HydrophobicContact CG-CG 4.3Å; Y345-E423 HydrophobicContact CD1-CB 3.84Å; Y345-E423 HydrophobicContact CD1-CG 4.05Å; Y345-E423 HydrophobicContact CD2-CB 4.31Å; Y345-E423 HydrophobicContact CE1-CB 3.42Å; Y345-E423 VanDerWaalsContact CE1-CB 3.42Å; Y345-E423 HydrophobicContact CE1-CG 4.03Å; Y345-E423 HydrophobicContact CE2-CB 3.92Å; Y345-E423 HydrophobicContact CG-CB 4.27Å; Y345-E423 VanDerWaalsContact CZ-CB 3.46Å; Y345-D424 VanDerWaalsContact OH-C 3.26Å; Y345-D424 PolarHBondContact OH-O 3.48Å |
| 346 | V | 90.2 | Very high | 90.8 | Very high | 50 Ų | 50 | 66 Ų | 66 | 30% | 0.303 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -57.2 | -45.4 | 179.1 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | H342 R348 C349 Q350 | H342-V346 WeakPolarHBondContact O-CG2 3.43Å; H342-V346 PolarHBondContact O-N 3.27Å; V346-R348 PolarHBondContact O-N 2.99Å; V346-C349 PolarHBondContact O-N 2.74Å; V346-Q350 WeakPolarHBondContact O-CG 3.24Å; V346-Q350 PolarHBondContact O-N 2.69Å |
| 347 | T | 91.1 | Very high | 90.8 | Very high | 64 Ų | 64 | 61.3 Ų | 61.3 | 39% | 0.393 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64 | -38.4 | 178.7 | -56.1 | 0 | 0 | 0 | 0 | 112.4 | S343 Y345 R351 | S343-T347 WeakPolarHBondContact O-CB 3.38Å; S343-T347 PolarHBondContact O-N 2.98Å; S343-T347 PolarHBondContact O-OG1 3.43Å; Y345-T347 VanDerWaalsContact C-N 3.34Å; Y345-T347 PolarHBondContact O-N 2.71Å; T347-R351 PolarHBondContact O-N 3.08Å |
| 348 | R | 91.1 | Very high | 90.9 | Very high | 93 Ų | 93 | 63.6 Ų | 63.6 | 35% | 0.351 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -70.4 | -38.9 | 175.3 | -72.4 | 166.5 | 177.2 | -109.2 | 6.4 | 111.7 | Q344 Y345 V346 R351 L352 D417 L418 | Q344-R348 WeakPolarHBondContact O-CB 3.46Å; Q344-R348 WeakPolarHBondContact O-CD 3.37Å; Q344-R348 WeakPolarHBondContact O-CG 3.41Å; Q344-R348 PolarHBondContact O-N 3.29Å; Y345-R348 PolarHBondContact O-N 3.34Å; Y345-R348 VanDerWaalsContact O-N 3.14Å; V346-R348 PolarHBondContact O-N 2.99Å; R348-R351 PolarHBondContact O-N 3.06Å; R348-L352 WeakPolarHBondContact O-CB 3.38Å; R348-L352 PolarHBondContact O-N 3.31Å; R348-D417 IonicContact CZ-OD2 2.73Å; R348-D417 IonicContact NH1-OD2 2.67Å; R348-D417 PolarHBondContact NH1-OD2 2.9Å; R348-D417 IonicContact NH2-OD2 2.74Å; R348-L418 HydrophobicContact CB-CD2 3.52Å |
| 349 | C | 90.7 | Very high | 91.1 | Very high | 15 Ų | 15 | 61.3 Ų | 61.3 | 10% | 0.101 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63 | -45.1 | 176.4 | -74.8 | 0 | 0 | 0 | 0 | 112.1 | Y345 V346 L352 G353 L428 | Y345-C349 WeakPolarHBondContact CE2-SG 3.41Å; Y345-C349 WeakPolarHBondContact O-CB 3.39Å; Y345-C349 PolarHBondContact O-N 3.22Å; Y345-C349 PolarHBondContact O-SG 3.12Å; V346-C349 PolarHBondContact O-N 2.74Å; C349-L352 PolarHBondContact O-N 3.39Å; C349-G353 PolarHBondContact O-N 3.3Å; C349-L428 HydrophobicContact CB-CD1 3.61Å; C349-L428 VanDerWaalsContact SG-CD1 3.58Å |
| 350 | Q | 91 | Very high | 91.3 | Very high | 117 Ų | 117 | 62.2 Ų | 62.2 | 55% | 0.547 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58 | -53.3 | 174 | -73.1 | 170.1 | -6.6 | 0 | 0 | 111.2 | V346 L352 G353 E354 | V346-Q350 WeakPolarHBondContact O-CG 3.24Å; V346-Q350 PolarHBondContact O-N 2.69Å; Q350-L352 VanDerWaalsContact C-N 3.34Å; Q350-L352 PolarHBondContact O-N 3.05Å; Q350-G353 WeakPolarHBondContact O-CA 3.41Å; Q350-G353 PolarHBondContact O-N 3.11Å; Q350-G353 VanDerWaalsContact O-N 3.09Å; Q350-E354 WeakPolarHBondContact O-CG 3.22Å; Q350-E354 PolarHBondContact O-N 3.46Å |
| 351 | R | 92.4 | Very high | 91.5 | Very high | 145 Ų | 145 | 63.8 Ų | 63.8 | 55% | 0.547 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.2 | -42.1 | 178.4 | -172.2 | 179.5 | -59 | 169.2 | 5.1 | 112.8 | T347 R348 G353 E354 D355 | T347-R351 PolarHBondContact O-N 3.08Å; R348-R351 PolarHBondContact O-N 3.06Å; R351-G353 VanDerWaalsContact C-N 3.32Å; R351-G353 PolarHBondContact O-N 3.42Å; R351-E354 PolarHBondContact O-N 3.16Å; R351-D355 WeakPolarHBondContact O-CB 3.43Å; R351-D355 PolarHBondContact O-N 3.38Å |
| 352 | L | 93.6 | Very high | 91.7 | Very high | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.6 | -38.4 | 176.9 | -178.6 | 57.9 | 0 | 0 | 0 | 111.3 | R348 C349 Q350 D355 I356 L411 Q414 L415 L418 L428 V432 | R348-L352 WeakPolarHBondContact O-CB 3.38Å; R348-L352 PolarHBondContact O-N 3.31Å; C349-L352 PolarHBondContact O-N 3.39Å; Q350-L352 VanDerWaalsContact C-N 3.34Å; Q350-L352 PolarHBondContact O-N 3.05Å; L352-D355 PolarHBondContact O-N 2.92Å; L352-I356 HydrophobicContact CD1-CD1 4.23Å; L352-I356 HydrophobicContact CD1-CG1 4.22Å; L352-I356 HydrophobicContact CG-CD1 3.93Å; L352-I356 HydrophobicContact CG-CG1 4.42Å; L352-I356 WeakPolarHBondContact O-CB 3.47Å; L352-I356 WeakPolarHBondContact O-CD1 3.32Å; L352-I356 WeakPolarHBondContact O-CG1 3.42Å; L352-I356 PolarHBondContact O-N 2.69Å; L352-L411 HydrophobicContact CD1-CD2 3.74Å; L352-Q414 HydrophobicContact CD1-CB 3.93Å; L352-L415 HydrophobicContact CD2-CB 3.96Å; L352-L415 HydrophobicContact CD2-CD1 4.08Å; L352-L418 HydrophobicContact CD2-CD1 3.57Å; L352-L428 HydrophobicContact CD2-CB 4.09Å; L352-L428 HydrophobicContact CD2-CD1 4.31Å; L352-L428 HydrophobicContact CG-CD2 4.37Å; L352-V432 HydrophobicContact CD1-CG2 4.05Å; L352-V432 HydrophobicContact CD2-CG2 4.3Å; L352-V432 HydrophobicContact CG-CG2 4.42Å |
| 353 | G | 92.6 | Very high | 91.9 | Very high | 32 Ų | 32 | 59 Ų | 59 | 33% | 0.33 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.5 | -45.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | C349 Q350 R351 G357 | C349-G353 PolarHBondContact O-N 3.3Å; Q350-G353 WeakPolarHBondContact O-CA 3.41Å; Q350-G353 PolarHBondContact O-N 3.11Å; Q350-G353 VanDerWaalsContact O-N 3.09Å; R351-G353 VanDerWaalsContact C-N 3.32Å; R351-G353 PolarHBondContact O-N 3.42Å; G353-G357 PolarHBondContact O-N 2.65Å |
| 354 | E | 93 | Very high | 92.1 | Very high | 118 Ų | 118 | 61.5 Ų | 61.5 | 55% | 0.551 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -62.1 | -44.4 | 174.2 | -66.2 | 170.7 | -173.4 | 0 | 0 | 112.1 | Q350 R351 G357 R358 | Q350-E354 WeakPolarHBondContact O-CG 3.22Å; Q350-E354 PolarHBondContact O-N 3.46Å; R351-E354 PolarHBondContact O-N 3.16Å; E354-G357 PolarHBondContact O-N 3.02Å; E354-R358 VanDerWaalsContact C-NH1 3.35Å; E354-R358 WeakPolarHBondContact O-CG 3.44Å; E354-R358 PolarHBondContact O-N 3.44Å; E354-R358 PolarHBondContact O-NH1 2.96Å |
| 355 | D | 92.6 | Very high | 92.1 | Very high | 20 Ų | 20 | 63.3 Ų | 63.3 | 11% | 0.107 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.7 | -37.4 | -178.7 | -67.3 | -5.5 | 0 | 0 | 0 | 111.6 | R351 L352 R358 I359 L411 Q414 | R351-D355 WeakPolarHBondContact O-CB 3.43Å; R351-D355 PolarHBondContact O-N 3.38Å; L352-D355 PolarHBondContact O-N 2.92Å; D355-R358 IonicContact OD1-CZ 3.28Å; D355-R358 VanDerWaalsContact OD1-CZ 3.22Å; D355-R358 IonicContact OD1-NH1 3.59Å; D355-R358 PolarHBondContact OD1-NH1 3.28Å; D355-R358 IonicContact OD1-NH2 2.82Å; D355-R358 PolarHBondContact OD1-NH2 2.83Å; D355-I359 WeakPolarHBondContact O-CG1 3.25Å; D355-I359 PolarHBondContact O-N 3.48Å; D355-L411 HydrophobicContact CB-CD2 3.65Å; D355-Q414 PolarHBondContact OD2-NE2 2.87Å |
| 356 | I | 93.6 | Very high | 92.2 | Very high | 14 Ų | 14 | 63.3 Ų | 63.3 | 7% | 0.072 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.9 | -46.1 | 169.6 | -73.2 | 164.6 | 0 | 0 | 0 | 110.5 | L352 R360 L411 L428 V432 V435 | L352-I356 HydrophobicContact CD1-CD1 4.23Å; L352-I356 HydrophobicContact CD1-CG1 4.22Å; L352-I356 HydrophobicContact CG-CD1 3.93Å; L352-I356 HydrophobicContact CG-CG1 4.42Å; L352-I356 WeakPolarHBondContact O-CB 3.47Å; L352-I356 WeakPolarHBondContact O-CD1 3.32Å; L352-I356 WeakPolarHBondContact O-CG1 3.42Å; L352-I356 PolarHBondContact O-N 2.69Å; I356-R360 WeakPolarHBondContact O-CB 3.31Å; I356-R360 PolarHBondContact O-N 3.18Å; I356-L411 HydrophobicContact CG1-CD1 4.38Å; I356-L411 HydrophobicContact CG1-CD2 4.1Å; I356-L428 HydrophobicContact CD1-CD2 3.98Å; I356-V432 HydrophobicContact CD1-CG2 3.65Å; I356-V432 HydrophobicContact CG1-CG2 3.92Å; I356-V435 HydrophobicContact CG2-CG2 3.82Å |
| 357 | G | 91.9 | Very high | 92.3 | Very high | 25 Ų | 25 | 63.2 Ų | 63.2 | 26% | 0.258 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.5 | -55 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G353 E354 I359 R360 E361 | G353-G357 PolarHBondContact O-N 2.65Å; E354-G357 PolarHBondContact O-N 3.02Å; G357-I359 VanDerWaalsContact C-N 3.28Å; G357-I359 PolarHBondContact O-N 3.08Å; G357-R360 WeakPolarHBondContact O-CB 3.38Å; G357-R360 PolarHBondContact O-N 3.07Å; G357-E361 WeakPolarHBondContact O-CG 3.44Å; G357-E361 PolarHBondContact O-N 2.93Å |
| 358 | R | 93.2 | Very high | 92.2 | Very high | 132 Ų | 132 | 65 Ų | 65 | 50% | 0.498 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.4 | -30.9 | -176.8 | -61.5 | -170.4 | -45.7 | -82.1 | 0.7 | 113.6 | E354 D355 M362 | E354-R358 VanDerWaalsContact C-NH1 3.35Å; E354-R358 WeakPolarHBondContact O-CG 3.44Å; E354-R358 PolarHBondContact O-N 3.44Å; E354-R358 PolarHBondContact O-NH1 2.96Å; D355-R358 IonicContact OD1-CZ 3.28Å; D355-R358 VanDerWaalsContact OD1-CZ 3.22Å; D355-R358 IonicContact OD1-NH1 3.59Å; D355-R358 PolarHBondContact OD1-NH1 3.28Å; D355-R358 IonicContact OD1-NH2 2.82Å; D355-R358 PolarHBondContact OD1-NH2 2.83Å; R358-M362 WeakPolarHBondContact O-CB 3.35Å; R358-M362 PolarHBondContact O-N 3.49Å |
| 359 | I | 92.8 | Very high | 92.2 | Very high | 14 Ų | 14 | 64 Ų | 64 | 7% | 0.072 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -77.3 | -35.6 | 175.5 | -66.6 | 169.1 | 0 | 0 | 0 | 110.8 | D355 G357 M362 L363 Q407 V408 L411 V435 | D355-I359 WeakPolarHBondContact O-CG1 3.25Å; D355-I359 PolarHBondContact O-N 3.48Å; G357-I359 VanDerWaalsContact C-N 3.28Å; G357-I359 PolarHBondContact O-N 3.08Å; I359-M362 HydrophobicContact CG2-CE 4.28Å; I359-L363 HydrophobicContact CG2-CD1 4Å; I359-L363 HydrophobicContact CG2-CG 4.38Å; I359-L363 WeakPolarHBondContact O-CB 3.24Å; I359-L363 WeakPolarHBondContact O-CG 3.46Å; I359-L363 PolarHBondContact O-N 3.38Å; I359-Q407 HydrophobicContact CD1-CB 3.87Å; I359-V408 HydrophobicContact CG2-CG2 4.5Å; I359-L411 HydrophobicContact CD1-CD1 3.73Å; I359-L411 HydrophobicContact CD1-CD2 4.14Å; I359-L411 HydrophobicContact CD1-CG 3.8Å; I359-V435 HydrophobicContact CB-CG1 4.18Å; I359-V435 HydrophobicContact CG2-CG1 3.5Å; I359-V435 VanDerWaalsContact CG2-CG1 3.5Å |
| 360 | R | 93.9 | Very high | 92 | Very high | 71 Ų | 71 | 63.3 Ų | 63.3 | 27% | 0.268 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 173 | 176.7 | 179.9 | -66.7 | -74.3 | -14.8 | 112.1 | I356 G357 L363 Q364 V435 E438 | I356-R360 WeakPolarHBondContact O-CB 3.31Å; I356-R360 PolarHBondContact O-N 3.18Å; G357-R360 WeakPolarHBondContact O-CB 3.38Å; G357-R360 PolarHBondContact O-N 3.07Å; R360-L363 PolarHBondContact O-N 2.88Å; R360-Q364 WeakPolarHBondContact O-CG 3.49Å; R360-Q364 PolarHBondContact O-N 3.22Å; R360-V435 HydrophobicContact CB-CG2 4.17Å; R360-E438 IonicContact CZ-OE1 3.47Å; R360-E438 VanDerWaalsContact CZ-OE1 3.23Å; R360-E438 IonicContact CZ-OE2 3.77Å; R360-E438 IonicContact NE-OE2 3.58Å; R360-E438 IonicContact NH1-OE1 2.74Å; R360-E438 PolarHBondContact NH1-OE1 2.79Å; R360-E438 IonicContact NH1-OE2 3.17Å; R360-E438 PolarHBondContact NH1-OE2 3.06Å; R360-E438 IonicContact NH2-OE1 3.24Å; R360-E438 PolarHBondContact NH2-OE1 3.42Å; R360-E438 IonicContact NH2-OE2 3.84Å; R360-E438 PolarHBondContact NH2-OE2 3.31Å |
| 361 | E | 92.8 | Very high | 91.9 | Very high | 114 Ų | 114 | 59.4 Ų | 59.4 | 53% | 0.533 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.2 | -54.8 | 176.3 | -70.2 | 164.9 | 165.3 | 0 | 0 | 110.9 | G357 L363 Q364 E365 | G357-E361 WeakPolarHBondContact O-CG 3.44Å; G357-E361 PolarHBondContact O-N 2.93Å; E361-L363 VanDerWaalsContact C-N 3.25Å; E361-L363 PolarHBondContact O-N 2.75Å; E361-Q364 WeakPolarHBondContact O-CB 3.45Å; E361-Q364 PolarHBondContact O-N 3.09Å; E361-E365 PolarHBondContact O-N 3.37Å |
| 362 | M | 91.9 | Very high | 91.6 | Very high | 26 Ų | 26 | 56.6 Ų | 56.6 | 13% | 0.128 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.6 | -35.4 | 176 | -179.6 | -163.7 | 71 | 0 | 0 | 113 | R358 I359 L366 K404 | R358-M362 WeakPolarHBondContact O-CB 3.35Å; R358-M362 PolarHBondContact O-N 3.49Å; I359-M362 HydrophobicContact CG2-CE 4.28Å; M362-L366 HydrophobicContact CG-CD1 4.1Å; M362-L366 WeakPolarHBondContact O-CB 3.35Å; M362-L366 VanDerWaalsContact O-CG 3.28Å; M362-L366 WeakPolarHBondContact O-CG 3.46Å; M362-L366 PolarHBondContact O-N 2.92Å; M362-L366 VanDerWaalsContact O-N 3.09Å; M362-K404 HydrophobicContact CE-CB 4.02Å; M362-K404 HydrophobicContact CE-CD 3.91Å; M362-K404 HydrophobicContact CE-CG 3.86Å; M362-K404 HydrophobicContact SD-CD 3.52Å; M362-K404 VanDerWaalsContact SD-CD 3.52Å; M362-K404 WeakPolarHBondContact SD-CE 3.31Å; M362-K404 HydrophobicContact SD-CG 3.88Å; M362-K404 PolarHBondContact SD-NZ 2.9Å |
| 363 | L | 93.3 | Very high | 91 | Very high | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.2 | -33.8 | 175.1 | -78.3 | 171 | 0 | 0 | 0 | 112.5 | I359 R360 E361 D367 L401 V435 E438 H439 V442 | I359-L363 HydrophobicContact CG2-CD1 4Å; I359-L363 HydrophobicContact CG2-CG 4.38Å; I359-L363 WeakPolarHBondContact O-CB 3.24Å; I359-L363 WeakPolarHBondContact O-CG 3.46Å; I359-L363 PolarHBondContact O-N 3.38Å; R360-L363 PolarHBondContact O-N 2.88Å; E361-L363 VanDerWaalsContact C-N 3.25Å; E361-L363 PolarHBondContact O-N 2.75Å; L363-D367 VanDerWaalsContact O-CB 3.27Å; L363-D367 WeakPolarHBondContact O-CB 3.39Å; L363-D367 PolarHBondContact O-N 3.02Å; L363-L401 HydrophobicContact CD2-CD2 3.68Å; L363-V435 HydrophobicContact CD1-CG1 4.05Å; L363-E438 HydrophobicContact CD1-CB 4.1Å; L363-H439 HydrophobicContact CD1-CB 3.99Å; L363-H439 HydrophobicContact CD2-CB 4.15Å; L363-V442 HydrophobicContact CD2-CB 4.44Å; L363-V442 HydrophobicContact CD2-CG2 4.4Å |
| 364 | Q | 92.1 | Very high | 90.4 | Very high | 119 Ų | 119 | 59.3 Ų | 59.3 | 56% | 0.556 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -72.3 | -39.8 | 175.5 | -72.7 | 174.6 | -19.1 | 0 | 0 | 111.8 | R360 E361 D367 Q368 | R360-Q364 WeakPolarHBondContact O-CG 3.49Å; R360-Q364 PolarHBondContact O-N 3.22Å; E361-Q364 WeakPolarHBondContact O-CB 3.45Å; E361-Q364 PolarHBondContact O-N 3.09Å; Q364-D367 PolarHBondContact O-N 3.32Å; Q364-Q368 WeakPolarHBondContact O-CB 3.36Å; Q364-Q368 PolarHBondContact O-N 3.01Å |
| 365 | E | 91.5 | Very high | 89.4 | Confident | 138 Ų | 138 | 59.8 Ų | 59.8 | 65% | 0.645 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -58.4 | -49.5 | 172.3 | -67.4 | 175.4 | 158 | 0 | 0 | 111.4 | E361 D367 Q368 E369 | E361-E365 PolarHBondContact O-N 3.37Å; E365-D367 VanDerWaalsContact C-N 3.31Å; E365-D367 PolarHBondContact O-N 2.94Å; E365-Q368 PolarHBondContact O-N 2.84Å; E365-E369 PolarHBondContact O-N 3.21Å |
| 366 | L | 91.8 | Very high | 88 | Confident | 17 Ų | 17 | 61.5 Ų | 61.5 | 9% | 0.089 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -70.4 | -25.4 | 177.1 | -66.2 | 170.8 | 0 | 0 | 0 | 112.8 | M362 L370 V397 T400 L401 | M362-L366 HydrophobicContact CG-CD1 4.1Å; M362-L366 WeakPolarHBondContact O-CB 3.35Å; M362-L366 VanDerWaalsContact O-CG 3.28Å; M362-L366 WeakPolarHBondContact O-CG 3.46Å; M362-L366 PolarHBondContact O-N 2.92Å; M362-L366 VanDerWaalsContact O-N 3.09Å; L366-L370 WeakPolarHBondContact O-CD1 3.14Å; L366-L370 VanDerWaalsContact O-CG 3.3Å; L366-L370 WeakPolarHBondContact O-CG 3.38Å; L366-V397 HydrophobicContact CB-CG1 4.22Å; L366-V397 HydrophobicContact CD2-CG1 4.19Å; L366-V397 HydrophobicContact CD2-CG2 4.28Å; L366-T400 HydrophobicContact CD1-CG2 4.12Å; L366-T400 HydrophobicContact CD2-CG2 4.39Å; L366-L401 HydrophobicContact CD1-CD2 3.75Å; L366-L401 HydrophobicContact CD1-CG 4.14Å |
| 367 | D | 91.4 | Very high | 86.3 | Confident | 48 Ų | 48 | 64.2 Ų | 64.2 | 26% | 0.257 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -68.3 | -45.7 | 171.8 | -163.1 | -75.8 | 0 | 0 | 0 | 110.7 | L363 Q364 E365 L370 V371 V442 R445 | L363-D367 VanDerWaalsContact O-CB 3.27Å; L363-D367 WeakPolarHBondContact O-CB 3.39Å; L363-D367 PolarHBondContact O-N 3.02Å; Q364-D367 PolarHBondContact O-N 3.32Å; E365-D367 VanDerWaalsContact C-N 3.31Å; E365-D367 PolarHBondContact O-N 2.94Å; D367-L370 PolarHBondContact O-N 3.23Å; D367-V371 WeakPolarHBondContact O-CG2 3.35Å; D367-V371 PolarHBondContact O-N 2.75Å; D367-V442 HydrophobicContact CB-CG2 4.21Å; D367-V442 WeakPolarHBondContact OD2-CG2 3.34Å; D367-R445 VanDerWaalsContact CA-NH2 3.28Å; D367-R445 PolarHBondContact O-NH2 3.27Å; D367-R445 IonicContact OD1-CZ 3.43Å; D367-R445 VanDerWaalsContact OD1-CZ 3.31Å; D367-R445 IonicContact OD1-NH1 2.64Å; D367-R445 PolarHBondContact OD1-NH1 3.07Å; D367-R445 IonicContact OD1-NH2 2.73Å; D367-R445 PolarHBondContact OD1-NH2 2.97Å; D367-R445 IonicContact OD2-CZ 3.76Å; D367-R445 IonicContact OD2-NH1 3.09Å; D367-R445 PolarHBondContact OD2-NH1 2.84Å; D367-R445 IonicContact OD2-NH2 2.67Å; D367-R445 PolarHBondContact OD2-NH2 3.14Å |
| 368 | Q | 90.3 | Very high | 84.5 | Confident | 103 Ų | 103 | 67.7 Ų | 67.7 | 48% | 0.481 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.1 | -42.4 | -179.8 | -166.8 | 65.1 | 53 | 0 | 0 | 111.8 | Q364 E365 L370 V371 D372 | Q364-Q368 WeakPolarHBondContact O-CB 3.36Å; Q364-Q368 PolarHBondContact O-N 3.01Å; E365-Q368 PolarHBondContact O-N 2.84Å; Q368-L370 PolarHBondContact O-N 2.83Å; Q368-V371 WeakPolarHBondContact O-CA 3.47Å; Q368-V371 PolarHBondContact O-N 3.13Å; Q368-D372 PolarHBondContact NE2-OD1 3.32Å; Q368-D372 VanDerWaalsContact O-CG 3.32Å; Q368-D372 PolarHBondContact O-N 2.94Å |
| 369 | E | 89.2 | Confident | 82.4 | Confident | 72 Ų | 72 | 66.5 Ų | 66.5 | 34% | 0.336 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -57.8 | -36.1 | 177.5 | -173 | -178.9 | -178.6 | 0 | 0 | 112.4 | E365 T373 V397 | E365-E369 PolarHBondContact O-N 3.21Å; E369-T373 WeakPolarHBondContact O-CB 3.45Å; E369-T373 PolarHBondContact O-N 2.98Å; E369-T373 VanDerWaalsContact O-N 3.12Å; E369-T373 PolarHBondContact O-OG1 2.89Å; E369-V397 HydrophobicContact CB-CG2 4.47Å; E369-V397 HydrophobicContact CG-CG2 4.21Å; E369-V397 WeakPolarHBondContact OE2-CG2 3.06Å |
| 370 | L | 88.3 | Confident | 80.2 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -69 | -39.5 | 174.5 | -63.6 | 169.7 | 0 | 0 | 0 | 112 | L366 D367 Q368 Q374 Y394 V397 V442 A446 L449 | L366-L370 WeakPolarHBondContact O-CD1 3.14Å; L366-L370 VanDerWaalsContact O-CG 3.3Å; L366-L370 WeakPolarHBondContact O-CG 3.38Å; D367-L370 PolarHBondContact O-N 3.23Å; Q368-L370 PolarHBondContact O-N 2.83Å; L370-Q374 VanDerWaalsContact O-CB 3.31Å; L370-Q374 WeakPolarHBondContact O-CB 3.45Å; L370-Q374 PolarHBondContact O-N 2.97Å; L370-Y394 HydrophobicContact CD2-CD1 3.6Å; L370-Y394 HydrophobicContact CD2-CE1 4.2Å; L370-V397 HydrophobicContact CD1-CG1 3.95Å; L370-V397 HydrophobicContact CD2-CB 3.89Å; L370-V397 HydrophobicContact CD2-CG1 3.74Å; L370-V397 HydrophobicContact CD2-CG2 4.15Å; L370-V397 HydrophobicContact CG-CB 4.47Å; L370-V397 HydrophobicContact CG-CG1 3.86Å; L370-V442 HydrophobicContact CD1-CG1 3.83Å; L370-A446 HydrophobicContact CD1-CB 3.83Å; L370-A446 HydrophobicContact CD2-CB 4.1Å; L370-L449 HydrophobicContact CB-CD1 4.26Å |
| 371 | V | 88.1 | Confident | 78.2 | Confident | 34 Ų | 34 | 75 Ų | 75 | 21% | 0.206 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -67.8 | -51.7 | 178.2 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | D367 Q368 T373 Q374 E375 | D367-V371 WeakPolarHBondContact O-CG2 3.35Å; D367-V371 PolarHBondContact O-N 2.75Å; Q368-V371 WeakPolarHBondContact O-CA 3.47Å; Q368-V371 PolarHBondContact O-N 3.13Å; V371-T373 VanDerWaalsContact C-N 3.26Å; V371-T373 PolarHBondContact O-N 3.5Å; V371-Q374 CarbonylContact O-C 3.36Å; V371-Q374 WeakPolarHBondContact O-CA 3.37Å; V371-Q374 PolarHBondContact O-N 3.14Å; V371-E375 HydrophobicContact CG1-CG 4.33Å; V371-E375 PolarHBondContact O-N 3.31Å |
| 372 | D | 85.4 | Confident | 76.5 | Confident | 87 Ų | 87 | 73 Ų | 73 | 47% | 0.465 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -57.2 | -41.9 | 178.9 | -64.6 | -6.3 | 0 | 0 | 0 | 111.3 | Q368 Q374 S376 | Q368-D372 PolarHBondContact NE2-OD1 3.32Å; Q368-D372 VanDerWaalsContact O-CG 3.32Å; Q368-D372 PolarHBondContact O-N 2.94Å; D372-Q374 VanDerWaalsContact C-N 3.35Å; D372-S376 WeakPolarHBondContact O-CB 3.46Å; D372-S376 PolarHBondContact O-N 2.8Å; D372-S376 VanDerWaalsContact O-N 3.08Å |
| 373 | T | 81.1 | Confident | 75.3 | Confident | 3 Ų | 3 | 75.3 Ų | 75.3 | 2% | 0.018 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -67.3 | -35.8 | 176.6 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | E369 V371 S376 Q390 K393 Y394 | E369-T373 WeakPolarHBondContact O-CB 3.45Å; E369-T373 PolarHBondContact O-N 2.98Å; E369-T373 VanDerWaalsContact O-N 3.12Å; E369-T373 PolarHBondContact O-OG1 2.89Å; V371-T373 VanDerWaalsContact C-N 3.26Å; V371-T373 PolarHBondContact O-N 3.5Å; T373-S376 PolarHBondContact O-OG 3.13Å; T373-Q390 HydrophobicContact CG2-CB 4.16Å; T373-Q390 HydrophobicContact CG2-CG 3.9Å; T373-K393 HydrophobicContact CG2-CB 4.22Å; T373-K393 HydrophobicContact CG2-CD 3.8Å; T373-K393 WeakPolarHBondContact OG1-CD 3.48Å; T373-Y394 HydrophobicContact CG2-CD1 4.22Å; T373-Y394 HydrophobicContact CG2-CE1 3.57Å; T373-Y394 HydrophobicContact CG2-CE2 4.42Å |
| 374 | Q | 79.4 | Confident | 74.1 | Confident | 88 Ų | 88 | 78 Ų | 78 | 41% | 0.411 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -72.7 | -41.8 | 176.8 | -170.8 | 176.4 | -12.4 | 0 | 0 | 112.5 | L370 V371 D372 S376 K377 Y394 | L370-Q374 VanDerWaalsContact O-CB 3.31Å; L370-Q374 WeakPolarHBondContact O-CB 3.45Å; L370-Q374 PolarHBondContact O-N 2.97Å; V371-Q374 CarbonylContact O-C 3.36Å; V371-Q374 WeakPolarHBondContact O-CA 3.37Å; V371-Q374 PolarHBondContact O-N 3.14Å; D372-Q374 VanDerWaalsContact C-N 3.35Å; Q374-S376 VanDerWaalsContact C-N 3.3Å; Q374-S376 PolarHBondContact O-N 3.04Å; Q374-K377 WeakPolarHBondContact O-CB 3.41Å; Q374-K377 PolarHBondContact O-N 3.28Å; Q374-Y394 VanDerWaalsContact CA-OH 3.32Å; Q374-Y394 WeakPolarHBondContact CA-OH 3.27Å; Q374-Y394 PolarHBondContact N-OH 2.86Å |
| 375 | E | 72.3 | Confident | 73.1 | Confident | 128 Ų | 128 | 79.6 Ų | 79.6 | 60% | 0.598 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -64.8 | -34.8 | 176.9 | -69.8 | -170.3 | 175.8 | 0 | 0 | 111.7 | V371 K377 S378 | V371-E375 HydrophobicContact CG1-CG 4.33Å; V371-E375 PolarHBondContact O-N 3.31Å; E375-K377 PolarHBondContact O-N 3.29Å; E375-S378 WeakPolarHBondContact O-CB 3.44Å; E375-S378 PolarHBondContact O-N 3.11Å; E375-S378 PolarHBondContact O-OG 2.96Å |
| 376 | S | 63 | Low | 72.2 | Confident | 56 Ų | 56 | 76.7 Ų | 76.7 | 39% | 0.392 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -56.7 | -23.6 | 175.3 | 81.7 | 0 | 0 | 0 | 0 | 114.3 | D372 T373 Q374 S378 Q390 | D372-S376 WeakPolarHBondContact O-CB 3.46Å; D372-S376 PolarHBondContact O-N 2.8Å; D372-S376 VanDerWaalsContact O-N 3.08Å; T373-S376 PolarHBondContact O-OG 3.13Å; Q374-S376 VanDerWaalsContact C-N 3.3Å; Q374-S376 PolarHBondContact O-N 3.04Å; S376-S378 PolarHBondContact O-N 3.03Å; S376-Q390 PolarHBondContact OG-NE2 2.8Å |
| 377 | K | 58.3 | Low | 71.3 | Confident | 71 Ų | 71 | 76.6 Ų | 76.6 | 31% | 0.309 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -71.8 | -12.4 | 177.5 | -165.3 | 171.6 | 173.7 | 179 | 0 | 113.4 | Q374 E375 T382 E456 | Q374-K377 WeakPolarHBondContact O-CB 3.41Å; Q374-K377 PolarHBondContact O-N 3.28Å; E375-K377 PolarHBondContact O-N 3.29Å; K377-T382 HydrophobicContact CG-CG2 4.15Å; K377-E456 IonicContact NZ-OE1 2.75Å; K377-E456 PolarHBondContact NZ-OE1 3.25Å; K377-E456 IonicContact NZ-OE2 3.9Å; K377-E456 PolarHBondContact NZ-OE2 2.9Å |
| 378 | S | 54.3 | Low | 70.7 | Confident | 97 Ų | 97 | 75.7 Ų | 75.7 | 68% | 0.678 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -93.1 | -9.7 | -171.5 | 69.4 | 0 | 0 | 0 | 0 | 116.1 | E375 S376 | E375-S378 WeakPolarHBondContact O-CB 3.44Å; E375-S378 PolarHBondContact O-N 3.11Å; E375-S378 PolarHBondContact O-OG 2.96Å; S376-S378 PolarHBondContact O-N 3.03Å |
| 379 | C | 48.7 | Very low | 70.2 | Confident | 107 Ų | 107 | 72.3 Ų | 72.3 | 72% | 0.723 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -115.9 | -6.1 | -166.1 | -63.5 | 0 | 0 | 0 | 0 | 116.9 | ||
| 380 | T | 47.5 | Very low | 69.9 | Low | 80 Ų | 80 | 69.4 Ų | 69.4 | 49% | 0.491 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -142 | 153.7 | 179.2 | 57 | 0 | 0 | 0 | 0 | 111.7 | T382 Q386 | T380-T382 PolarHBondContact O-N 3.12Å; T380-Q386 PolarHBondContact OG1-NE2 3.04Å |
| 381 | E | 51.7 | Low | 69.8 | Low | 185 Ų | 185 | 70.4 Ų | 70.4 | 86% | 0.864 | 38% | 0.384 | S | S | * | . | trans | -55.1 | 120.1 | 167 | -64.2 | -177.1 | 150.7 | 0 | 0 | 109.6 | T383 | E381-T383 PolarHBondContact O-N 2.95Å; E381-T383 VanDerWaalsContact O-N 3.11Å | ||
| 382 | T | 57.2 | Low | 69.7 | Low | 72 Ų | 72 | 75.8 Ų | 75.8 | 44% | 0.442 | 40% | 0.401 | S | S | . | . | trans | -75.9 | 102.4 | -170.5 | 39 | 0 | 0 | 0 | 0 | 111.6 | K377 T380 M387 | K377-T382 HydrophobicContact CG-CG2 4.15Å; T380-T382 PolarHBondContact O-N 3.12Å; T382-M387 HydrophobicContact CG2-SD 4.08Å | ||
| 383 | T | 66.4 | Low | 69.8 | Low | 73 Ų | 73 | 76.4 Ų | 76.4 | 45% | 0.448 | 40% | 0.399 | S | S | . | . | trans | -69.5 | 153.7 | 169.3 | 61 | 0 | 0 | 0 | 0 | 111.7 | E381 E385 Q386 M387 | E381-T383 PolarHBondContact O-N 2.95Å; E381-T383 VanDerWaalsContact O-N 3.11Å; T383-E385 VanDerWaalsContact C-N 3.26Å; T383-E385 PolarHBondContact O-N 2.77Å; T383-Q386 PolarHBondContact O-N 2.8Å; T383-Q386 VanDerWaalsContact O-N 3.12Å; T383-Q386 WeakPolarHBondContact OG1-CG 3.45Å; T383-Q386 PolarHBondContact OG1-N 2.71Å; T383-Q386 PolarHBondContact OG1-OE1 3.24Å; T383-M387 WeakPolarHBondContact O-CG 3.36Å; T383-M387 PolarHBondContact O-N 3.06Å | ||
| 384 | E | 68.4 | Low | 70.1 | Confident | 61 Ų | 61 | 76.7 Ų | 76.7 | 29% | 0.285 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -56.7 | -40.4 | 178.6 | -162.1 | -167.6 | 130.3 | 0 | 0 | 111.9 | Q386 M387 E388 L457 K518 | E384-Q386 PolarHBondContact O-N 3.23Å; E384-M387 WeakPolarHBondContact O-CB 3.5Å; E384-M387 PolarHBondContact O-N 2.64Å; E384-E388 PolarHBondContact O-N 2.45Å; E384-L457 HydrophobicContact CG-CD1 4.42Å; E384-K518 WeakPolarHBondContact OE1-CD 3.12Å; E384-K518 IonicContact OE1-NZ 2.76Å; E384-K518 PolarHBondContact OE1-NZ 3.36Å; E384-K518 IonicContact OE2-NZ 2.66Å; E384-K518 PolarHBondContact OE2-NZ 2.75Å |
| 385 | E | 70.8 | Confident | 70.5 | Confident | 152 Ų | 152 | 73.3 Ų | 73.3 | 71% | 0.71 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -66.8 | -33.9 | 178.1 | -60.9 | 178.1 | 179.9 | 0 | 0 | 112.6 | T383 G389 | T383-E385 VanDerWaalsContact C-N 3.26Å; T383-E385 PolarHBondContact O-N 2.77Å; E385-G389 PolarHBondContact O-N 3.4Å |
| 386 | Q | 71.9 | Confident | 71.3 | Confident | 77 Ų | 77 | 71.2 Ų | 71.2 | 36% | 0.36 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -70.6 | -39.8 | 172.1 | -77.6 | 170.8 | -78.4 | 0 | 0 | 111.9 | T380 T383 E384 G389 Q390 | T380-Q386 PolarHBondContact OG1-NE2 3.04Å; T383-Q386 PolarHBondContact O-N 2.8Å; T383-Q386 VanDerWaalsContact O-N 3.12Å; T383-Q386 WeakPolarHBondContact OG1-CG 3.45Å; T383-Q386 PolarHBondContact OG1-N 2.71Å; T383-Q386 PolarHBondContact OG1-OE1 3.24Å; E384-Q386 PolarHBondContact O-N 3.23Å; Q386-G389 PolarHBondContact O-N 2.89Å; Q386-Q390 WeakPolarHBondContact O-CG 3.3Å; Q386-Q390 PolarHBondContact O-N 3.41Å |
| 387 | M | 73.9 | Confident | 72.6 | Confident | 14 Ų | 14 | 68.6 Ų | 68.6 | 7% | 0.069 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.8 | -44 | 176.6 | -65.1 | -78.5 | -75.9 | 0 | 0 | 110.8 | T382 T383 E384 Q390 W391 E456 L460 | T382-M387 HydrophobicContact CG2-SD 4.08Å; T383-M387 WeakPolarHBondContact O-CG 3.36Å; T383-M387 PolarHBondContact O-N 3.06Å; E384-M387 WeakPolarHBondContact O-CB 3.5Å; E384-M387 PolarHBondContact O-N 2.64Å; M387-Q390 PolarHBondContact O-N 2.88Å; M387-W391 PolarHBondContact O-N 3.23Å; M387-E456 HydrophobicContact CE-CB 3.67Å; M387-E456 HydrophobicContact CE-CG 4.35Å; M387-E456 WeakPolarHBondContact CE-OE2 3.45Å; M387-L460 HydrophobicContact CE-CD1 4.19Å |
| 388 | E | 78.1 | Confident | 74.2 | Confident | 30 Ų | 30 | 68.4 Ų | 68.4 | 14% | 0.14 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61 | -47.7 | 171.8 | -170.8 | -161.7 | 154.8 | 0 | 0 | 111.8 | E384 Q390 W391 R392 L457 L521 | E384-E388 PolarHBondContact O-N 2.45Å; E388-Q390 VanDerWaalsContact C-N 3.29Å; E388-Q390 PolarHBondContact O-N 3.43Å; E388-W391 PolarHBondContact O-N 3.43Å; E388-R392 HydrophobicContact CG-CG 4.47Å; E388-R392 WeakPolarHBondContact O-CG 3.22Å; E388-R392 PolarHBondContact O-N 2.89Å; E388-R392 IonicContact OE1-CZ 3.23Å; E388-R392 IonicContact OE1-NE 2.88Å; E388-R392 PolarHBondContact OE1-NE 2.92Å; E388-R392 IonicContact OE1-NH2 3.87Å; E388-R392 PolarHBondContact OE1-NH2 2.94Å; E388-L457 HydrophobicContact CB-CD2 4.25Å; E388-L457 HydrophobicContact CG-CD2 4.39Å; E388-L521 HydrophobicContact CB-CD1 4.49Å; E388-L521 VanDerWaalsContact CD-CD1 3.48Å; E388-L521 HydrophobicContact CG-CD1 3.63Å |
| 389 | G | 80.7 | Confident | 75.9 | Confident | 32 Ų | 32 | 68.1 Ų | 68.1 | 33% | 0.33 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.5 | -38 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E385 Q386 K393 | E385-G389 PolarHBondContact O-N 3.4Å; Q386-G389 PolarHBondContact O-N 2.89Å; G389-K393 WeakPolarHBondContact O-CG 3.37Å; G389-K393 PolarHBondContact O-N 3.25Å; G389-K393 VanDerWaalsContact O-N 3.15Å |
| 390 | Q | 82.6 | Confident | 77.9 | Confident | 11 Ų | 11 | 65.7 Ų | 65.7 | 5% | 0.051 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.9 | -47.9 | 173.4 | -72.9 | 177.2 | -2.7 | 0 | 0 | 111.7 | T373 S376 Q386 M387 E388 R392 K393 Y394 | T373-Q390 HydrophobicContact CG2-CB 4.16Å; T373-Q390 HydrophobicContact CG2-CG 3.9Å; S376-Q390 PolarHBondContact OG-NE2 2.8Å; Q386-Q390 WeakPolarHBondContact O-CG 3.3Å; Q386-Q390 PolarHBondContact O-N 3.41Å; M387-Q390 PolarHBondContact O-N 2.88Å; E388-Q390 VanDerWaalsContact C-N 3.29Å; E388-Q390 PolarHBondContact O-N 3.43Å; Q390-R392 PolarHBondContact O-N 3.16Å; Q390-K393 PolarHBondContact O-N 3.31Å; Q390-Y394 HydrophobicContact CB-CE2 4.14Å; Q390-Y394 WeakPolarHBondContact O-CD2 3.42Å; Q390-Y394 PolarHBondContact O-N 3.3Å |
| 391 | W | 86.2 | Confident | 79.9 | Confident | 21 Ų | 21 | 61.9 Ų | 61.9 | 8% | 0.08 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.2 | -44.8 | 175.7 | 168.8 | 77.4 | 0 | 0 | 0 | 112.3 | M387 E388 K393 Y394 S395 E454 L457 S524 V525 | M387-W391 PolarHBondContact O-N 3.23Å; E388-W391 PolarHBondContact O-N 3.43Å; W391-K393 PolarHBondContact O-N 3.24Å; W391-Y394 PolarHBondContact O-N 3.49Å; W391-S395 WeakPolarHBondContact O-CB 3.26Å; W391-S395 PolarHBondContact O-N 2.9Å; W391-E454 PolarHBondContact NE1-OE2 3.41Å; W391-L457 HydrophobicContact CB-CD2 4.49Å; W391-S524 VanDerWaalsContact CH2-O 3.23Å; W391-S524 WeakPolarHBondContact CH2-O 3.44Å; W391-V525 HydrophobicContact CE3-CG2 4.23Å; W391-V525 HydrophobicContact CH2-CG2 4.08Å; W391-V525 HydrophobicContact CZ2-CG2 4.44Å; W391-V525 HydrophobicContact CZ3-CG2 3.97Å |
| 392 | R | 85.7 | Confident | 81.7 | Confident | 146 Ų | 146 | 55.7 Ų | 55.7 | 55% | 0.551 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -56.1 | -47.4 | 175.4 | -74.5 | -172.1 | -174.6 | -141.3 | 10.8 | 111.2 | E388 Q390 S395 V396 | E388-R392 HydrophobicContact CG-CG 4.47Å; E388-R392 WeakPolarHBondContact O-CG 3.22Å; E388-R392 PolarHBondContact O-N 2.89Å; E388-R392 IonicContact OE1-CZ 3.23Å; E388-R392 IonicContact OE1-NE 2.88Å; E388-R392 PolarHBondContact OE1-NE 2.92Å; E388-R392 IonicContact OE1-NH2 3.87Å; E388-R392 PolarHBondContact OE1-NH2 2.94Å; Q390-R392 PolarHBondContact O-N 3.16Å; R392-S395 PolarHBondContact O-N 2.94Å; R392-V396 WeakPolarHBondContact O-CG2 3.36Å; R392-V396 PolarHBondContact O-N 2.66Å |
| 393 | K | 86.9 | Confident | 83.1 | Confident | 101 Ų | 101 | 54.9 Ų | 54.9 | 44% | 0.439 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.2 | -51.5 | 176.2 | -75.7 | -178.7 | 174.9 | -168.2 | 0 | 112.5 | T373 G389 Q390 W391 S395 V396 V397 | T373-K393 HydrophobicContact CG2-CB 4.22Å; T373-K393 HydrophobicContact CG2-CD 3.8Å; T373-K393 WeakPolarHBondContact OG1-CD 3.48Å; G389-K393 WeakPolarHBondContact O-CG 3.37Å; G389-K393 PolarHBondContact O-N 3.25Å; G389-K393 VanDerWaalsContact O-N 3.15Å; Q390-K393 PolarHBondContact O-N 3.31Å; W391-K393 PolarHBondContact O-N 3.24Å; K393-S395 PolarHBondContact O-N 3.24Å; K393-V396 PolarHBondContact O-N 2.74Å; K393-V396 VanDerWaalsContact O-N 3.09Å; K393-V397 PolarHBondContact O-N 2.95Å |
| 394 | Y | 88.9 | Confident | 84.1 | Confident | 9 Ų | 9 | 54.5 Ų | 54.5 | 4% | 0.035 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.8 | -36 | 178.4 | -60.9 | -40.4 | 0 | 0 | 0 | 112.3 | L370 T373 Q374 Q390 W391 R398 L449 S453 | L370-Y394 HydrophobicContact CD2-CD1 3.6Å; L370-Y394 HydrophobicContact CD2-CE1 4.2Å; T373-Y394 HydrophobicContact CG2-CD1 4.22Å; T373-Y394 HydrophobicContact CG2-CE1 3.57Å; T373-Y394 HydrophobicContact CG2-CE2 4.42Å; Q374-Y394 VanDerWaalsContact CA-OH 3.32Å; Q374-Y394 WeakPolarHBondContact CA-OH 3.27Å; Q374-Y394 PolarHBondContact N-OH 2.86Å; Q390-Y394 HydrophobicContact CB-CE2 4.14Å; Q390-Y394 WeakPolarHBondContact O-CD2 3.42Å; Q390-Y394 PolarHBondContact O-N 3.3Å; W391-Y394 PolarHBondContact O-N 3.49Å; Y394-R398 VanDerWaalsContact O-CB 3.23Å; Y394-R398 WeakPolarHBondContact O-CB 3.17Å; Y394-R398 PolarHBondContact O-N 2.82Å; Y394-L449 HydrophobicContact CD1-CB 4.1Å; Y394-L449 HydrophobicContact CD1-CD1 4.43Å; Y394-L449 HydrophobicContact CD2-CB 4.05Å; Y394-L449 HydrophobicContact CE1-CB 4.13Å; Y394-L449 HydrophobicContact CE1-CD1 3.99Å; Y394-L449 HydrophobicContact CE2-CB 4.11Å; Y394-L449 HydrophobicContact CG-CB 4.05Å; Y394-S453 WeakPolarHBondContact CD2-OG 3.26Å |
| 395 | S | 86.8 | Confident | 85.2 | Confident | 17 Ų | 17 | 53.7 Ų | 53.7 | 12% | 0.119 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.3 | -43 | 173.6 | -163.6 | 0 | 0 | 0 | 0 | 112.1 | W391 R392 K393 R398 N399 | W391-S395 WeakPolarHBondContact O-CB 3.26Å; W391-S395 PolarHBondContact O-N 2.9Å; R392-S395 PolarHBondContact O-N 2.94Å; K393-S395 PolarHBondContact O-N 3.24Å; S395-R398 PolarHBondContact O-N 3.18Å; S395-R398 PolarHBondContact OG-NH2 3.46Å; S395-N399 VanDerWaalsContact O-CB 3.3Å; S395-N399 WeakPolarHBondContact O-CB 3.22Å; S395-N399 PolarHBondContact O-N 2.79Å; S395-N399 PolarHBondContact O-ND2 2.98Å; S395-N399 PolarHBondContact O-OD1 2.98Å |
| 396 | V | 90.4 | Very high | 86 | Confident | 84 Ų | 84 | 50.4 Ų | 50.4 | 51% | 0.509 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 174.7 | 168.5 | 0 | 0 | 0 | 0 | 111.8 | R392 K393 N399 T400 | R392-V396 WeakPolarHBondContact O-CG2 3.36Å; R392-V396 PolarHBondContact O-N 2.66Å; K393-V396 PolarHBondContact O-N 2.74Å; K393-V396 VanDerWaalsContact O-N 3.09Å; V396-N399 PolarHBondContact O-N 3.31Å; V396-T400 WeakPolarHBondContact O-CB 3.34Å; V396-T400 PolarHBondContact O-N 3.01Å; V396-T400 PolarHBondContact O-OG1 3.01Å |
| 397 | V | 90.3 | Very high | 86.9 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.6 | -47 | 176.3 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | L366 E369 L370 K393 N399 T400 L401 A446 | L366-V397 HydrophobicContact CB-CG1 4.22Å; L366-V397 HydrophobicContact CD2-CG1 4.19Å; L366-V397 HydrophobicContact CD2-CG2 4.28Å; E369-V397 HydrophobicContact CB-CG2 4.47Å; E369-V397 HydrophobicContact CG-CG2 4.21Å; E369-V397 WeakPolarHBondContact OE2-CG2 3.06Å; L370-V397 HydrophobicContact CD1-CG1 3.95Å; L370-V397 HydrophobicContact CD2-CB 3.89Å; L370-V397 HydrophobicContact CD2-CG1 3.74Å; L370-V397 HydrophobicContact CD2-CG2 4.15Å; L370-V397 HydrophobicContact CG-CB 4.47Å; L370-V397 HydrophobicContact CG-CG1 3.86Å; K393-V397 PolarHBondContact O-N 2.95Å; V397-N399 VanDerWaalsContact C-N 3.32Å; V397-N399 PolarHBondContact O-N 2.95Å; V397-T400 PolarHBondContact O-N 2.93Å; V397-L401 HydrophobicContact CG1-CD1 3.74Å; V397-L401 HydrophobicContact CG1-CG 4.38Å; V397-L401 WeakPolarHBondContact O-CG 3.29Å; V397-L401 PolarHBondContact O-N 3.13Å; V397-A446 HydrophobicContact CG1-CB 4.2Å |
| 398 | R | 91.5 | Very high | 87.8 | Confident | 66 Ų | 66 | 49.9 Ų | 49.9 | 25% | 0.249 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -54.3 | -46.7 | 175.2 | 178.3 | -176.1 | 67.9 | -174.6 | -8.7 | 111.9 | Y394 S395 A402 A446 C450 | Y394-R398 VanDerWaalsContact O-CB 3.23Å; Y394-R398 WeakPolarHBondContact O-CB 3.17Å; Y394-R398 PolarHBondContact O-N 2.82Å; S395-R398 PolarHBondContact O-N 3.18Å; S395-R398 PolarHBondContact OG-NH2 3.46Å; R398-A402 PolarHBondContact O-N 2.76Å; R398-A446 HydrophobicContact CB-CB 4.33Å; R398-C450 PolarHBondContact NH1-SG 2.96Å |
| 399 | N | 89.2 | Confident | 88.5 | Confident | 92 Ų | 92 | 53 Ų | 53 | 49% | 0.492 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -71.2 | -35.5 | -177.9 | -63.4 | -11.5 | 0 | 0 | 0 | 111.6 | S395 V396 V397 A402 G403 | S395-N399 VanDerWaalsContact O-CB 3.3Å; S395-N399 WeakPolarHBondContact O-CB 3.22Å; S395-N399 PolarHBondContact O-N 2.79Å; S395-N399 PolarHBondContact O-ND2 2.98Å; S395-N399 PolarHBondContact O-OD1 2.98Å; V396-N399 PolarHBondContact O-N 3.31Å; V397-N399 VanDerWaalsContact C-N 3.32Å; V397-N399 PolarHBondContact O-N 2.95Å; N399-A402 PolarHBondContact O-N 3.27Å; N399-G403 PolarHBondContact O-N 3.04Å |
| 400 | T | 90.1 | Very high | 89.1 | Confident | 55 Ų | 55 | 55.7 Ų | 55.7 | 34% | 0.337 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.2 | -47.8 | 174.3 | -59.1 | 0 | 0 | 0 | 0 | 110.9 | L366 V396 V397 A402 G403 K404 | L366-T400 HydrophobicContact CD1-CG2 4.12Å; L366-T400 HydrophobicContact CD2-CG2 4.39Å; V396-T400 WeakPolarHBondContact O-CB 3.34Å; V396-T400 PolarHBondContact O-N 3.01Å; V396-T400 PolarHBondContact O-OG1 3.01Å; V397-T400 PolarHBondContact O-N 2.93Å; T400-A402 VanDerWaalsContact C-N 3.31Å; T400-A402 PolarHBondContact O-N 3.18Å; T400-G403 PolarHBondContact O-N 3.37Å; T400-G403 VanDerWaalsContact O-N 3.16Å; T400-K404 HydrophobicContact CG2-CG 4.49Å; T400-K404 WeakPolarHBondContact O-CG 3.47Å; T400-K404 PolarHBondContact O-N 3.49Å |
| 401 | L | 91 | Very high | 89.6 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.5 | -41.1 | 175.6 | -68.5 | 162.8 | 0 | 0 | 0 | 111.7 | L363 L366 V397 K404 E405 V442 K443 A446 | L363-L401 HydrophobicContact CD2-CD2 3.68Å; L366-L401 HydrophobicContact CD1-CD2 3.75Å; L366-L401 HydrophobicContact CD1-CG 4.14Å; V397-L401 HydrophobicContact CG1-CD1 3.74Å; V397-L401 HydrophobicContact CG1-CG 4.38Å; V397-L401 WeakPolarHBondContact O-CG 3.29Å; V397-L401 PolarHBondContact O-N 3.13Å; L401-K404 PolarHBondContact O-N 3.43Å; L401-E405 PolarHBondContact O-N 3.37Å; L401-V442 HydrophobicContact CD1-CB 4.42Å; L401-V442 HydrophobicContact CD1-CG1 3.82Å; L401-V442 HydrophobicContact CD2-CG1 4.32Å; L401-K443 HydrophobicContact CD1-CB 4.46Å; L401-A446 HydrophobicContact CD1-CB 3.92Å |
| 402 | A | 88.8 | Confident | 89.9 | Confident | 55 Ų | 55 | 57.5 Ų | 57.5 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R398 N399 T400 K404 E405 | R398-A402 PolarHBondContact O-N 2.76Å; N399-A402 PolarHBondContact O-N 3.27Å; T400-A402 VanDerWaalsContact C-N 3.31Å; T400-A402 PolarHBondContact O-N 3.18Å; A402-K404 PolarHBondContact O-N 3.48Å; A402-E405 WeakPolarHBondContact O-CB 3.48Å; A402-E405 PolarHBondContact O-N 2.83Å |
| 403 | G | 87.4 | Confident | 90.2 | Very high | 56 Ų | 56 | 53.3 Ų | 53.3 | 58% | 0.577 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -64 | -25.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | N399 T400 S406 | N399-G403 PolarHBondContact O-N 3.04Å; T400-G403 PolarHBondContact O-N 3.37Å; T400-G403 VanDerWaalsContact O-N 3.16Å; G403-S406 PolarHBondContact O-OG 2.99Å |
| 404 | K | 87.4 | Confident | 90.4 | Very high | 65 Ų | 65 | 50.6 Ų | 50.6 | 28% | 0.283 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -89.5 | -9.3 | -178.8 | -64.1 | -75.8 | -177.3 | 149.9 | 0 | 114.4 | M362 T400 L401 A402 S406 Q407 V408 | M362-K404 HydrophobicContact CE-CB 4.02Å; M362-K404 HydrophobicContact CE-CD 3.91Å; M362-K404 HydrophobicContact CE-CG 3.86Å; M362-K404 HydrophobicContact SD-CD 3.52Å; M362-K404 VanDerWaalsContact SD-CD 3.52Å; M362-K404 WeakPolarHBondContact SD-CE 3.31Å; M362-K404 HydrophobicContact SD-CG 3.88Å; M362-K404 PolarHBondContact SD-NZ 2.9Å; T400-K404 HydrophobicContact CG2-CG 4.49Å; T400-K404 WeakPolarHBondContact O-CG 3.47Å; T400-K404 PolarHBondContact O-N 3.49Å; L401-K404 PolarHBondContact O-N 3.43Å; A402-K404 PolarHBondContact O-N 3.48Å; K404-S406 PolarHBondContact O-N 3.03Å; K404-S406 VanDerWaalsContact O-N 3.12Å; K404-Q407 VanDerWaalsContact CD-OE1 3.22Å; K404-Q407 WeakPolarHBondContact O-CB 3.31Å; K404-Q407 PolarHBondContact O-N 3.32Å; K404-V408 PolarHBondContact O-N 3Å |
| 405 | E | 89.8 | Confident | 90.6 | Very high | 44 Ų | 44 | 51 Ų | 51 | 21% | 0.206 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -52.6 | -36.7 | 176.7 | -166 | 93.8 | -127.5 | 0 | 0 | 112.2 | L401 A402 Q407 V408 E409 H439 Q440 K443 | L401-E405 PolarHBondContact O-N 3.37Å; A402-E405 WeakPolarHBondContact O-CB 3.48Å; A402-E405 PolarHBondContact O-N 2.83Å; E405-Q407 PolarHBondContact O-N 2.92Å; E405-V408 WeakPolarHBondContact O-CB 3.39Å; E405-V408 PolarHBondContact O-N 3.31Å; E405-E409 PolarHBondContact O-N 2.95Å; E405-H439 IonicContact OE1-CE1 2.98Å; E405-H439 PolarHBondContact OE1-CE1 2.84Å; E405-H439 IonicContact OE1-ND1 3.66Å; E405-H439 IonicContact OE1-NE2 2.69Å; E405-H439 PolarHBondContact OE1-NE2 3.14Å; E405-H439 IonicContact OE2-NE2 3.31Å; E405-H439 PolarHBondContact OE2-NE2 3.3Å; E405-Q440 PolarHBondContact OE1-NE2 3.43Å; E405-K443 IonicContact OE2-NZ 2.74Å; E405-K443 PolarHBondContact OE2-NZ 3.26Å |
| 406 | S | 89.4 | Confident | 90.8 | Very high | 83 Ų | 83 | 57.7 Ų | 57.7 | 58% | 0.58 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -59.5 | -29.2 | 175.9 | 61.7 | 0 | 0 | 0 | 0 | 114 | G403 K404 L410 | G403-S406 PolarHBondContact O-OG 2.99Å; K404-S406 PolarHBondContact O-N 3.03Å; K404-S406 VanDerWaalsContact O-N 3.12Å; S406-L410 PolarHBondContact O-N 3.2Å |
| 407 | Q | 90.9 | Very high | 90.7 | Very high | 79 Ų | 79 | 55.6 Ų | 55.6 | 37% | 0.369 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -79.2 | -31.6 | 176.5 | -53.1 | -167.8 | -34.6 | 0 | 0 | 111.1 | I359 K404 E405 L410 L411 | I359-Q407 HydrophobicContact CD1-CB 3.87Å; K404-Q407 VanDerWaalsContact CD-OE1 3.22Å; K404-Q407 WeakPolarHBondContact O-CB 3.31Å; K404-Q407 PolarHBondContact O-N 3.32Å; E405-Q407 PolarHBondContact O-N 2.92Å; Q407-L410 WeakPolarHBondContact O-CB 3.25Å; Q407-L410 PolarHBondContact O-N 3.39Å; Q407-L411 PolarHBondContact O-N 3.34Å |
| 408 | V | 92.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -71.3 | -36.4 | 173.1 | -178.4 | 0 | 0 | 0 | 0 | 111.2 | I359 K404 E405 K412 V436 H439 | I359-V408 HydrophobicContact CG2-CG2 4.5Å; K404-V408 PolarHBondContact O-N 3Å; E405-V408 WeakPolarHBondContact O-CB 3.39Å; E405-V408 PolarHBondContact O-N 3.31Å; V408-K412 WeakPolarHBondContact O-CG 3.37Å; V408-K412 PolarHBondContact O-N 2.72Å; V408-V436 HydrophobicContact CG1-CG2 3.71Å; V408-H439 HydrophobicContact CG2-CB 4.2Å |
| 409 | E | 91.9 | Very high | 90.4 | Very high | 95 Ų | 95 | 58.4 Ų | 58.4 | 44% | 0.444 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.5 | -34.2 | 168.4 | -68.3 | -54.1 | 133.9 | 0 | 0 | 112.6 | E405 K412 S413 | E405-E409 PolarHBondContact O-N 2.95Å; E409-K412 PolarHBondContact O-N 2.95Å; E409-K412 IonicContact OE1-NZ 2.73Å; E409-K412 PolarHBondContact OE1-NZ 3.29Å; E409-S413 PolarHBondContact O-N 3.33Å |
| 410 | L | 93.3 | Very high | 90.3 | Very high | 89 Ų | 89 | 63 Ų | 63 | 47% | 0.466 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.3 | -48.4 | 172.6 | -176.9 | 62.9 | 0 | 0 | 0 | 111.1 | S406 Q407 K412 S413 Q414 | S406-L410 PolarHBondContact O-N 3.2Å; Q407-L410 WeakPolarHBondContact O-CB 3.25Å; Q407-L410 PolarHBondContact O-N 3.39Å; L410-K412 VanDerWaalsContact C-N 3.33Å; L410-K412 PolarHBondContact O-N 3.04Å; L410-S413 PolarHBondContact O-N 2.62Å; L410-S413 PolarHBondContact O-OG 2.66Å; L410-Q414 HydrophobicContact CD1-CG 4.32Å; L410-Q414 HydrophobicContact CG-CG 4.38Å; L410-Q414 WeakPolarHBondContact O-CG 3.46Å; L410-Q414 PolarHBondContact O-N 3.4Å; L410-Q414 PolarHBondContact O-OE1 3.35Å |
| 411 | L | 93.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -53.5 | -47.5 | 174.3 | -68.6 | -177.1 | 0 | 0 | 0 | 112.2 | L352 D355 I356 I359 Q407 S413 Q414 L415 V432 V435 | L352-L411 HydrophobicContact CD1-CD2 3.74Å; D355-L411 HydrophobicContact CB-CD2 3.65Å; I356-L411 HydrophobicContact CG1-CD1 4.38Å; I356-L411 HydrophobicContact CG1-CD2 4.1Å; I359-L411 HydrophobicContact CD1-CD1 3.73Å; I359-L411 HydrophobicContact CD1-CD2 4.14Å; I359-L411 HydrophobicContact CD1-CG 3.8Å; Q407-L411 PolarHBondContact O-N 3.34Å; L411-S413 VanDerWaalsContact C-N 3.29Å; L411-S413 PolarHBondContact O-N 3.24Å; L411-Q414 PolarHBondContact O-N 2.75Å; L411-L415 WeakPolarHBondContact O-CB 3.38Å; L411-L415 PolarHBondContact O-N 2.86Å; L411-V432 HydrophobicContact CB-CG1 4.1Å; L411-V432 HydrophobicContact CB-CG2 4.32Å; L411-V435 HydrophobicContact CD1-CB 4.37Å; L411-V435 HydrophobicContact CD1-CG1 3.77Å |
| 412 | K | 92.6 | Very high | 89.5 | Confident | 68 Ų | 68 | 67.8 Ų | 67.8 | 30% | 0.296 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.6 | -39.3 | 177.6 | -67.2 | 169.4 | -169 | 170.4 | 0 | 111.7 | V408 E409 L410 K416 V432 V436 | V408-K412 WeakPolarHBondContact O-CG 3.37Å; V408-K412 PolarHBondContact O-N 2.72Å; E409-K412 PolarHBondContact O-N 2.95Å; E409-K412 IonicContact OE1-NZ 2.73Å; E409-K412 PolarHBondContact OE1-NZ 3.29Å; L410-K412 VanDerWaalsContact C-N 3.33Å; L410-K412 PolarHBondContact O-N 3.04Å; K412-K416 WeakPolarHBondContact O-CB 3.44Å; K412-K416 PolarHBondContact O-N 3.12Å; K412-V432 HydrophobicContact CG-CG1 4.36Å; K412-V436 VanDerWaalsContact CE-CG2 3.48Å; K412-V436 HydrophobicContact CG-CG2 4.32Å |
| 413 | S | 91.1 | Very high | 89.3 | Confident | 59 Ų | 59 | 67.3 Ų | 67.3 | 41% | 0.413 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -70.9 | -39.4 | 178.2 | 78.3 | 0 | 0 | 0 | 0 | 112.9 | E409 L410 L411 K416 D417 | E409-S413 PolarHBondContact O-N 3.33Å; L410-S413 PolarHBondContact O-N 2.62Å; L410-S413 PolarHBondContact O-OG 2.66Å; L411-S413 VanDerWaalsContact C-N 3.29Å; L411-S413 PolarHBondContact O-N 3.24Å; S413-K416 WeakPolarHBondContact O-CB 3.34Å; S413-K416 PolarHBondContact O-N 3.3Å; S413-D417 PolarHBondContact O-N 2.85Å |
| 414 | Q | 92.4 | Very high | 89 | Confident | 43 Ų | 43 | 68.3 Ų | 68.3 | 20% | 0.201 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65 | -43.9 | 175.7 | -71.1 | 166.9 | -52.6 | 0 | 0 | 111.2 | L352 D355 L410 L411 D417 L418 | L352-Q414 HydrophobicContact CD1-CB 3.93Å; D355-Q414 PolarHBondContact OD2-NE2 2.87Å; L410-Q414 HydrophobicContact CD1-CG 4.32Å; L410-Q414 HydrophobicContact CG-CG 4.38Å; L410-Q414 WeakPolarHBondContact O-CG 3.46Å; L410-Q414 PolarHBondContact O-N 3.4Å; L410-Q414 PolarHBondContact O-OE1 3.35Å; L411-Q414 PolarHBondContact O-N 2.75Å; Q414-D417 WeakPolarHBondContact O-CB 3.42Å; Q414-D417 PolarHBondContact O-N 3.49Å; Q414-D417 VanDerWaalsContact O-N 3.14Å; Q414-L418 PolarHBondContact O-N 3.33Å |
| 415 | L | 92.4 | Very high | 88.9 | Confident | 17 Ų | 17 | 65.4 Ų | 65.4 | 9% | 0.089 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 173.3 | 179.1 | 65.1 | 0 | 0 | 0 | 111.9 | L352 L411 D417 L418 F419 P425 L428 T429 V432 | L352-L415 HydrophobicContact CD2-CB 3.96Å; L352-L415 HydrophobicContact CD2-CD1 4.08Å; L411-L415 WeakPolarHBondContact O-CB 3.38Å; L411-L415 PolarHBondContact O-N 2.86Å; L415-D417 PolarHBondContact O-N 3.07Å; L415-L418 HydrophobicContact CD1-CD1 4.42Å; L415-L418 WeakPolarHBondContact O-CB 3.36Å; L415-L418 PolarHBondContact O-N 3.37Å; L415-F419 HydrophobicContact CD1-CE2 4.19Å; L415-F419 HydrophobicContact CG-CE2 3.98Å; L415-F419 WeakPolarHBondContact O-CD2 3.36Å; L415-P425 HydrophobicContact CD1-CB 4.39Å; L415-L428 HydrophobicContact CD1-CB 4.41Å; L415-T429 HydrophobicContact CD2-CG2 4.26Å; L415-V432 HydrophobicContact CB-CG2 4.24Å; L415-V432 HydrophobicContact CD2-CB 3.96Å; L415-V432 HydrophobicContact CD2-CG1 4.23Å; L415-V432 HydrophobicContact CD2-CG2 4.09Å |
| 416 | K | 90.9 | Very high | 88.6 | Confident | 159 Ų | 159 | 71.7 Ų | 71.7 | 69% | 0.691 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -58.2 | -31.3 | 174.4 | -174.3 | 176.6 | 179.4 | 179.6 | 0 | 112.3 | K412 S413 | K412-K416 WeakPolarHBondContact O-CB 3.44Å; K412-K416 PolarHBondContact O-N 3.12Å; S413-K416 WeakPolarHBondContact O-CB 3.34Å; S413-K416 PolarHBondContact O-N 3.3Å |
| 417 | D | 88.3 | Confident | 88.3 | Confident | 40 Ų | 40 | 73.7 Ų | 73.7 | 21% | 0.214 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -75.5 | -20.2 | 176.5 | -110.8 | 40.5 | 0 | 0 | 0 | 114.1 | R348 S413 Q414 L415 R420 | R348-D417 IonicContact CZ-OD2 2.73Å; R348-D417 IonicContact NH1-OD2 2.67Å; R348-D417 PolarHBondContact NH1-OD2 2.9Å; R348-D417 IonicContact NH2-OD2 2.74Å; S413-D417 PolarHBondContact O-N 2.85Å; Q414-D417 WeakPolarHBondContact O-CB 3.42Å; Q414-D417 PolarHBondContact O-N 3.49Å; Q414-D417 VanDerWaalsContact O-N 3.14Å; L415-D417 PolarHBondContact O-N 3.07Å; D417-R420 WeakPolarHBondContact O-CG 3.4Å; D417-R420 IonicContact OD1-CZ 2.73Å; D417-R420 IonicContact OD1-NE 3.79Å; D417-R420 PolarHBondContact OD1-NE 2.9Å; D417-R420 IonicContact OD1-NH2 2.64Å; D417-R420 PolarHBondContact OD1-NH2 3.36Å; D417-R420 IonicContact OD2-CZ 3.12Å; D417-R420 IonicContact OD2-NE 2.7Å; D417-R420 IonicContact OD2-NH2 2.75Å |
| 418 | L | 90.4 | Very high | 88.2 | Confident | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -74.6 | -30.9 | 172.9 | -67.5 | 178.2 | 0 | 0 | 0 | 112.6 | Y345 R348 L352 Q414 L415 R420 F421 P425 L428 | Y345-L418 HydrophobicContact CD2-CD2 3.97Å; Y345-L418 HydrophobicContact CE2-CB 4.42Å; Y345-L418 HydrophobicContact CE2-CD2 4.13Å; R348-L418 HydrophobicContact CB-CD2 3.52Å; L352-L418 HydrophobicContact CD2-CD1 3.57Å; Q414-L418 PolarHBondContact O-N 3.33Å; L415-L418 HydrophobicContact CD1-CD1 4.42Å; L415-L418 WeakPolarHBondContact O-CB 3.36Å; L415-L418 PolarHBondContact O-N 3.37Å; L418-R420 PolarHBondContact O-N 2.85Å; L418-F421 WeakPolarHBondContact O-CD2 3.25Å; L418-F421 PolarHBondContact O-N 3.45Å; L418-F421 VanDerWaalsContact O-N 3.1Å; L418-P425 HydrophobicContact CB-CB 4.08Å; L418-P425 HydrophobicContact CB-CG 4.37Å; L418-P425 HydrophobicContact CD1-CB 4.13Å; L418-L428 HydrophobicContact CD1-CD1 3.73Å |
| 419 | F | 85.8 | Confident | 88.1 | Confident | 125 Ų | 125 | 72 Ų | 72 | 55% | 0.548 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | 9.9 | 173.8 | -65.9 | -72.6 | 0 | 0 | 0 | 114.4 | L415 P425 | L415-F419 HydrophobicContact CD1-CE2 4.19Å; L415-F419 HydrophobicContact CG-CE2 3.98Å; L415-F419 WeakPolarHBondContact O-CD2 3.36Å; F419-P425 HydrophobicContact CD1-CG 3.84Å; F419-P425 HydrophobicContact CE1-CG 3.48Å; F419-P425 VanDerWaalsContact CE1-CG 3.48Å; F419-P425 HydrophobicContact CE2-CG 4.34Å; F419-P425 HydrophobicContact CG-CG 4.4Å; F419-P425 HydrophobicContact CZ-CG 3.76Å |
| 420 | R | 86.1 | Confident | 88 | Confident | 187 Ų | 187 | 72.4 Ų | 72.4 | 71% | 0.706 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -14.6 | 168.8 | -56.8 | -178.5 | -171.6 | -141.4 | 13.2 | 112.8 | D417 L418 | D417-R420 WeakPolarHBondContact O-CG 3.4Å; D417-R420 IonicContact OD1-CZ 2.73Å; D417-R420 IonicContact OD1-NE 3.79Å; D417-R420 PolarHBondContact OD1-NE 2.9Å; D417-R420 IonicContact OD1-NH2 2.64Å; D417-R420 PolarHBondContact OD1-NH2 3.36Å; D417-R420 IonicContact OD2-CZ 3.12Å; D417-R420 IonicContact OD2-NE 2.7Å; D417-R420 IonicContact OD2-NH2 2.75Å; L418-R420 PolarHBondContact O-N 2.85Å |
| 421 | F | 86.1 | Confident | 87.9 | Confident | 41 Ų | 41 | 69 Ų | 69 | 18% | 0.18 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -96.1 | 166.5 | 178.5 | -59.4 | -91.9 | 0 | 0 | 0 | 110 | S341 Q344 Y345 L418 | S341-F421 WeakPolarHBondContact O-CD1 3.43Å; S341-F421 VanDerWaalsContact O-CE1 3.22Å; S341-F421 WeakPolarHBondContact O-CE1 3.2Å; Q344-F421 HydrophobicContact CB-CE1 4.05Å; Q344-F421 HydrophobicContact CB-CZ 4.11Å; Y345-F421 HydrophobicContact CD2-CB 3.72Å; Y345-F421 AromaticContact CD2-CD2 3.96Å; Y345-F421 HydrophobicContact CD2-CD2 3.96Å; Y345-F421 AromaticContact CD2-CG 3.85Å; Y345-F421 HydrophobicContact CD2-CG 3.85Å; Y345-F421 HydrophobicContact CE2-CB 4.45Å; Y345-F421 HydrophobicContact CG-CB 4.29Å; Y345-F421 HydrophobicContact CG-CG 4.3Å; L418-F421 WeakPolarHBondContact O-CD2 3.25Å; L418-F421 PolarHBondContact O-N 3.45Å; L418-F421 VanDerWaalsContact O-N 3.1Å |
| 422 | S | 78.2 | Confident | 87.9 | Confident | 116 Ų | 116 | 69.1 Ų | 69.1 | 81% | 0.811 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -77.4 | -23.9 | 179.9 | 33.1 | 0 | 0 | 0 | 0 | 113.7 | ||
| 423 | E | 84.3 | Confident | 87.9 | Confident | 45 Ų | 45 | 69.8 Ų | 69.8 | 21% | 0.21 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -77.3 | 162.6 | -175.3 | -61.4 | 94.8 | 119.1 | 0 | 0 | 112.8 | H342 Y345 P425 | H342-E423 IonicContact CE1-OE1 3.4Å; H342-E423 IonicContact CG-OE1 3.88Å; H342-E423 IonicContact ND1-OE1 3.67Å; H342-E423 PolarHBondContact ND1-OE1 3.41Å; Y345-E423 HydrophobicContact CD1-CB 3.84Å; Y345-E423 HydrophobicContact CD1-CG 4.05Å; Y345-E423 HydrophobicContact CD2-CB 4.31Å; Y345-E423 HydrophobicContact CE1-CB 3.42Å; Y345-E423 VanDerWaalsContact CE1-CB 3.42Å; Y345-E423 HydrophobicContact CE1-CG 4.03Å; Y345-E423 HydrophobicContact CE2-CB 3.92Å; Y345-E423 HydrophobicContact CG-CB 4.27Å; Y345-E423 VanDerWaalsContact CZ-CB 3.46Å; E423-P425 VanDerWaalsContact O-CD 3.3Å; E423-P425 WeakPolarHBondContact O-CD 3.29Å |
| 424 | D | 82.2 | Confident | 87.9 | Confident | 77 Ų | 77 | 68.4 Ų | 68.4 | 41% | 0.412 | 33% | 0.334 | S | S | . | . | trans | -99.6 | 109.3 | -169.3 | 177.4 | 5.1 | 0 | 0 | 0 | 112.9 | Y345 R426 | Y345-D424 VanDerWaalsContact OH-C 3.26Å; Y345-D424 PolarHBondContact OH-O 3.48Å; D424-R426 VanDerWaalsContact C-N 3.3Å; D424-R426 PolarHBondContact O-N 2.88Å; D424-R426 VanDerWaalsContact OD1-CB 3.26Å; D424-R426 WeakPolarHBondContact OD1-CB 3.37Å; D424-R426 VanDerWaalsContact OD1-CG 3.27Å; D424-R426 WeakPolarHBondContact OD1-CG 3.35Å; D424-R426 PolarHBondContact OD1-N 3.38Å; D424-R426 IonicContact OD1-NE 3.78Å; D424-R426 PolarHBondContact OD1-NE 3.32Å; D424-R426 IonicContact OD2-CZ 2.66Å; D424-R426 IonicContact OD2-NE 3.22Å; D424-R426 PolarHBondContact OD2-NE 3.02Å; D424-R426 IonicContact OD2-NH2 2.92Å; D424-R426 PolarHBondContact OD2-NH2 3.07Å | ||
| 425 | P | 84.9 | Confident | 88 | Confident | 4 Ų | 4 | 66.3 Ų | 66.3 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | trans | -88.5 | 21 | -179.3 | 38.2 | -38 | 0 | 0 | 0 | 113.3 | L415 L418 F419 E423 H427 L428 T429 | L415-P425 HydrophobicContact CD1-CB 4.39Å; L418-P425 HydrophobicContact CB-CB 4.08Å; L418-P425 HydrophobicContact CB-CG 4.37Å; L418-P425 HydrophobicContact CD1-CB 4.13Å; F419-P425 HydrophobicContact CD1-CG 3.84Å; F419-P425 HydrophobicContact CE1-CG 3.48Å; F419-P425 VanDerWaalsContact CE1-CG 3.48Å; F419-P425 HydrophobicContact CE2-CG 4.34Å; F419-P425 HydrophobicContact CG-CG 4.4Å; F419-P425 HydrophobicContact CZ-CG 3.76Å; E423-P425 VanDerWaalsContact O-CD 3.3Å; E423-P425 WeakPolarHBondContact O-CD 3.29Å; P425-H427 VanDerWaalsContact C-N 3.31Å; P425-H427 PolarHBondContact O-N 2.9Å; P425-L428 PolarHBondContact O-N 3.21Å; P425-T429 PolarHBondContact O-N 3.03Å; P425-T429 PolarHBondContact O-OG1 3.49Å | ||
| 426 | R | 84 | Confident | 88 | Confident | 175 Ų | 175 | 66.8 Ų | 66.8 | 66% | 0.66 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -46.4 | -49.1 | -177.6 | -98.6 | -176.8 | -76.4 | -166.7 | -1.9 | 113.9 | D424 L428 T429 D430 | D424-R426 VanDerWaalsContact C-N 3.3Å; D424-R426 PolarHBondContact O-N 2.88Å; D424-R426 VanDerWaalsContact OD1-CB 3.26Å; D424-R426 WeakPolarHBondContact OD1-CB 3.37Å; D424-R426 VanDerWaalsContact OD1-CG 3.27Å; D424-R426 WeakPolarHBondContact OD1-CG 3.35Å; D424-R426 PolarHBondContact OD1-N 3.38Å; D424-R426 IonicContact OD1-NE 3.78Å; D424-R426 PolarHBondContact OD1-NE 3.32Å; D424-R426 IonicContact OD2-CZ 2.66Å; D424-R426 IonicContact OD2-NE 3.22Å; D424-R426 PolarHBondContact OD2-NE 3.02Å; D424-R426 IonicContact OD2-NH2 2.92Å; D424-R426 PolarHBondContact OD2-NH2 3.07Å; R426-L428 VanDerWaalsContact C-N 3.32Å; R426-L428 PolarHBondContact O-N 2.99Å; R426-T429 WeakPolarHBondContact O-CA 3.49Å; R426-T429 VanDerWaalsContact O-CB 3.24Å; R426-T429 WeakPolarHBondContact O-CB 3.47Å; R426-T429 PolarHBondContact O-N 2.97Å; R426-D430 PolarHBondContact O-N 3.02Å |
| 427 | H | 82.8 | Confident | 88.1 | Confident | 126 Ų | 126 | 66.3 Ų | 66.3 | 58% | 0.583 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60.5 | -35.8 | -179.6 | 65.7 | -76.4 | 0 | 0 | 0 | 114 | P425 G431 | P425-H427 VanDerWaalsContact C-N 3.31Å; P425-H427 PolarHBondContact O-N 2.9Å; H427-G431 PolarHBondContact O-N 3.42Å |
| 428 | L | 88.3 | Confident | 88.3 | Confident | 13 Ų | 13 | 67.1 Ų | 67.1 | 7% | 0.068 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -79.7 | -29.9 | 173.5 | -69.7 | 166.9 | 0 | 0 | 0 | 112.2 | C349 L352 I356 L415 L418 P425 R426 G431 V432 | C349-L428 HydrophobicContact CB-CD1 3.61Å; C349-L428 VanDerWaalsContact SG-CD1 3.58Å; L352-L428 HydrophobicContact CD2-CB 4.09Å; L352-L428 HydrophobicContact CD2-CD1 4.31Å; L352-L428 HydrophobicContact CG-CD2 4.37Å; I356-L428 HydrophobicContact CD1-CD2 3.98Å; L415-L428 HydrophobicContact CD1-CB 4.41Å; L418-L428 HydrophobicContact CD1-CD1 3.73Å; P425-L428 PolarHBondContact O-N 3.21Å; R426-L428 VanDerWaalsContact C-N 3.32Å; R426-L428 PolarHBondContact O-N 2.99Å; L428-G431 PolarHBondContact O-N 3.22Å; L428-V432 WeakPolarHBondContact O-CG2 3.39Å; L428-V432 PolarHBondContact O-N 3.38Å |
| 429 | T | 90 | Very high | 88.4 | Confident | 30 Ų | 30 | 67 Ų | 67 | 18% | 0.184 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.7 | -48.9 | 174 | -54.5 | 0 | 0 | 0 | 0 | 110.3 | L415 P425 R426 G431 V432 L433 | L415-T429 HydrophobicContact CD2-CG2 4.26Å; P425-T429 PolarHBondContact O-N 3.03Å; P425-T429 PolarHBondContact O-OG1 3.49Å; R426-T429 WeakPolarHBondContact O-CA 3.49Å; R426-T429 VanDerWaalsContact O-CB 3.24Å; R426-T429 WeakPolarHBondContact O-CB 3.47Å; R426-T429 PolarHBondContact O-N 2.97Å; T429-G431 VanDerWaalsContact C-N 3.34Å; T429-G431 PolarHBondContact O-N 3.1Å; T429-V432 PolarHBondContact O-N 3.02Å; T429-L433 HydrophobicContact CG2-CD1 4.03Å; T429-L433 WeakPolarHBondContact O-CB 3.26Å; T429-L433 VanDerWaalsContact O-CG 3.25Å; T429-L433 WeakPolarHBondContact O-CG 3.45Å; T429-L433 PolarHBondContact O-N 3.47Å |
| 430 | D | 90.4 | Very high | 88.7 | Confident | 105 Ų | 105 | 64.2 Ų | 64.2 | 56% | 0.561 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63.8 | -39.4 | 175.9 | -67.6 | -36.8 | 0 | 0 | 0 | 111.8 | R426 L433 A434 | R426-D430 PolarHBondContact O-N 3.02Å; D430-L433 PolarHBondContact O-N 2.9Å; D430-A434 WeakPolarHBondContact O-CB 3.35Å; D430-A434 PolarHBondContact O-N 2.97Å |
| 431 | G | 90.9 | Very high | 89 | Confident | 17 Ų | 17 | 59 Ų | 59 | 18% | 0.175 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.4 | -47.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | H427 L428 T429 A434 V435 | H427-G431 PolarHBondContact O-N 3.42Å; L428-G431 PolarHBondContact O-N 3.22Å; T429-G431 VanDerWaalsContact C-N 3.34Å; T429-G431 PolarHBondContact O-N 3.1Å; G431-A434 PolarHBondContact O-N 3.31Å; G431-V435 PolarHBondContact O-N 3.21Å; G431-V435 VanDerWaalsContact O-N 3.11Å |
| 432 | V | 93.3 | Very high | 89.3 | Confident | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.018 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.9 | -43.8 | 174.3 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | L352 I356 L411 K412 L415 L428 T429 A434 V435 V436 | L352-V432 HydrophobicContact CD1-CG2 4.05Å; L352-V432 HydrophobicContact CD2-CG2 4.3Å; L352-V432 HydrophobicContact CG-CG2 4.42Å; I356-V432 HydrophobicContact CD1-CG2 3.65Å; I356-V432 HydrophobicContact CG1-CG2 3.92Å; L411-V432 HydrophobicContact CB-CG1 4.1Å; L411-V432 HydrophobicContact CB-CG2 4.32Å; K412-V432 HydrophobicContact CG-CG1 4.36Å; L415-V432 HydrophobicContact CB-CG2 4.24Å; L415-V432 HydrophobicContact CD2-CB 3.96Å; L415-V432 HydrophobicContact CD2-CG1 4.23Å; L415-V432 HydrophobicContact CD2-CG2 4.09Å; L428-V432 WeakPolarHBondContact O-CG2 3.39Å; L428-V432 PolarHBondContact O-N 3.38Å; T429-V432 PolarHBondContact O-N 3.02Å; V432-A434 VanDerWaalsContact C-N 3.28Å; V432-A434 PolarHBondContact O-N 2.88Å; V432-V435 PolarHBondContact O-N 3.46Å; V432-V436 HydrophobicContact CG1-CG2 4.06Å; V432-V436 WeakPolarHBondContact O-CB 3.39Å; V432-V436 VanDerWaalsContact O-CG2 3.23Å; V432-V436 WeakPolarHBondContact O-CG2 3.13Å; V432-V436 PolarHBondContact O-N 3.33Å |
| 433 | L | 92.3 | Very high | 90 | Very high | 83 Ų | 83 | 54.5 Ų | 54.5 | 44% | 0.435 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63 | -34.2 | 179.2 | -73.8 | 173.5 | 0 | 0 | 0 | 112.5 | T429 D430 K437 | T429-L433 HydrophobicContact CG2-CD1 4.03Å; T429-L433 WeakPolarHBondContact O-CB 3.26Å; T429-L433 VanDerWaalsContact O-CG 3.25Å; T429-L433 WeakPolarHBondContact O-CG 3.45Å; T429-L433 PolarHBondContact O-N 3.47Å; D430-L433 PolarHBondContact O-N 2.9Å; L433-K437 WeakPolarHBondContact O-CD 3.39Å; L433-K437 VanDerWaalsContact O-CG 3.24Å; L433-K437 WeakPolarHBondContact O-CG 3.37Å; L433-K437 PolarHBondContact O-N 3.42Å; L433-K437 VanDerWaalsContact O-N 3.12Å |
| 434 | A | 91.8 | Very high | 90.3 | Very high | 29 Ų | 29 | 55.9 Ų | 55.9 | 24% | 0.24 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65 | -52.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111 | D430 G431 V432 V436 K437 E438 | D430-A434 WeakPolarHBondContact O-CB 3.35Å; D430-A434 PolarHBondContact O-N 2.97Å; G431-A434 PolarHBondContact O-N 3.31Å; V432-A434 VanDerWaalsContact C-N 3.28Å; V432-A434 PolarHBondContact O-N 2.88Å; A434-V436 VanDerWaalsContact C-N 3.3Å; A434-V436 PolarHBondContact O-N 3.27Å; A434-K437 WeakPolarHBondContact O-CB 2.95Å; A434-K437 PolarHBondContact O-N 2.96Å; A434-E438 WeakPolarHBondContact O-CB 3.15Å; A434-E438 VanDerWaalsContact O-CG 3.26Å; A434-E438 WeakPolarHBondContact O-CG 3.35Å; A434-E438 PolarHBondContact O-N 3.36Å |
| 435 | V | 93.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.4 | -36.4 | 178 | 170.3 | 0 | 0 | 0 | 0 | 112.7 | I356 I359 R360 L363 L411 G431 V432 E438 H439 | I356-V435 HydrophobicContact CG2-CG2 3.82Å; I359-V435 HydrophobicContact CB-CG1 4.18Å; I359-V435 HydrophobicContact CG2-CG1 3.5Å; I359-V435 VanDerWaalsContact CG2-CG1 3.5Å; R360-V435 HydrophobicContact CB-CG2 4.17Å; L363-V435 HydrophobicContact CD1-CG1 4.05Å; L411-V435 HydrophobicContact CD1-CB 4.37Å; L411-V435 HydrophobicContact CD1-CG1 3.77Å; G431-V435 PolarHBondContact O-N 3.21Å; G431-V435 VanDerWaalsContact O-N 3.11Å; V432-V435 PolarHBondContact O-N 3.46Å; V435-E438 PolarHBondContact O-N 3.42Å; V435-H439 VanDerWaalsContact O-CB 3.31Å; V435-H439 WeakPolarHBondContact O-CB 3.5Å; V435-H439 PolarHBondContact O-N 3.08Å |
| 436 | V | 92.9 | Very high | 91 | Very high | 26 Ų | 26 | 54.8 Ų | 54.8 | 16% | 0.158 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 174.5 | 171 | 0 | 0 | 0 | 0 | 111.4 | V408 K412 V432 A434 Q440 | V408-V436 HydrophobicContact CG1-CG2 3.71Å; K412-V436 VanDerWaalsContact CE-CG2 3.48Å; K412-V436 HydrophobicContact CG-CG2 4.32Å; V432-V436 HydrophobicContact CG1-CG2 4.06Å; V432-V436 WeakPolarHBondContact O-CB 3.39Å; V432-V436 VanDerWaalsContact O-CG2 3.23Å; V432-V436 WeakPolarHBondContact O-CG2 3.13Å; V432-V436 PolarHBondContact O-N 3.33Å; A434-V436 VanDerWaalsContact C-N 3.3Å; A434-V436 PolarHBondContact O-N 3.27Å; V436-Q440 WeakPolarHBondContact O-CG 3.41Å; V436-Q440 PolarHBondContact O-N 2.97Å; V436-Q440 VanDerWaalsContact O-N 3.12Å |
| 437 | K | 92.5 | Very high | 91.3 | Very high | 150 Ų | 150 | 48.3 Ų | 48.3 | 65% | 0.652 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -67.1 | -43.7 | 176.4 | -73.2 | 167 | -177.2 | 174 | 0 | 111.6 | L433 A434 Q440 S441 | L433-K437 WeakPolarHBondContact O-CD 3.39Å; L433-K437 VanDerWaalsContact O-CG 3.24Å; L433-K437 WeakPolarHBondContact O-CG 3.37Å; L433-K437 PolarHBondContact O-N 3.42Å; L433-K437 VanDerWaalsContact O-N 3.12Å; A434-K437 WeakPolarHBondContact O-CB 2.95Å; A434-K437 PolarHBondContact O-N 2.96Å; K437-Q440 PolarHBondContact O-N 3.07Å; K437-S441 VanDerWaalsContact O-CB 3.3Å; K437-S441 WeakPolarHBondContact O-CB 3.22Å; K437-S441 PolarHBondContact O-N 2.88Å |
| 438 | E | 92.8 | Very high | 91.7 | Very high | 56 Ų | 56 | 47.7 Ų | 47.7 | 26% | 0.262 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.5 | -52.8 | 175.8 | -70.5 | 154.8 | -151 | 0 | 0 | 110 | R360 L363 A434 V435 Q440 S441 V442 | R360-E438 IonicContact CZ-OE1 3.47Å; R360-E438 VanDerWaalsContact CZ-OE1 3.23Å; R360-E438 IonicContact CZ-OE2 3.77Å; R360-E438 IonicContact NE-OE2 3.58Å; R360-E438 IonicContact NH1-OE1 2.74Å; R360-E438 PolarHBondContact NH1-OE1 2.79Å; R360-E438 IonicContact NH1-OE2 3.17Å; R360-E438 PolarHBondContact NH1-OE2 3.06Å; R360-E438 IonicContact NH2-OE1 3.24Å; R360-E438 PolarHBondContact NH2-OE1 3.42Å; R360-E438 IonicContact NH2-OE2 3.84Å; R360-E438 PolarHBondContact NH2-OE2 3.31Å; L363-E438 HydrophobicContact CD1-CB 4.1Å; A434-E438 WeakPolarHBondContact O-CB 3.15Å; A434-E438 VanDerWaalsContact O-CG 3.26Å; A434-E438 WeakPolarHBondContact O-CG 3.35Å; A434-E438 PolarHBondContact O-N 3.36Å; V435-E438 PolarHBondContact O-N 3.42Å; E438-Q440 PolarHBondContact O-N 2.66Å; E438-S441 WeakPolarHBondContact O-CB 3.43Å; E438-S441 PolarHBondContact O-N 2.77Å; E438-S441 VanDerWaalsContact O-N 3.07Å; E438-V442 WeakPolarHBondContact O-CG2 3.46Å; E438-V442 PolarHBondContact O-N 3.05Å |
| 439 | H | 93.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -53.9 | -51 | 176.7 | 178.2 | -92.8 | 0 | 0 | 0 | 112.9 | L363 E405 V408 V435 S441 V442 K443 | L363-H439 HydrophobicContact CD1-CB 3.99Å; L363-H439 HydrophobicContact CD2-CB 4.15Å; E405-H439 IonicContact OE1-CE1 2.98Å; E405-H439 PolarHBondContact OE1-CE1 2.84Å; E405-H439 IonicContact OE1-ND1 3.66Å; E405-H439 IonicContact OE1-NE2 2.69Å; E405-H439 PolarHBondContact OE1-NE2 3.14Å; E405-H439 IonicContact OE2-NE2 3.31Å; E405-H439 PolarHBondContact OE2-NE2 3.3Å; V408-H439 HydrophobicContact CG2-CB 4.2Å; V435-H439 VanDerWaalsContact O-CB 3.31Å; V435-H439 WeakPolarHBondContact O-CB 3.5Å; V435-H439 PolarHBondContact O-N 3.08Å; H439-S441 VanDerWaalsContact C-N 3.29Å; H439-S441 PolarHBondContact O-N 3.32Å; H439-V442 PolarHBondContact O-N 3.22Å; H439-K443 WeakPolarHBondContact NE2-CD 3.39Å; H439-K443 WeakPolarHBondContact O-CB 3.39Å; H439-K443 PolarHBondContact O-N 3.19Å |
| 440 | Q | 92.2 | Very high | 91.5 | Very high | 66 Ų | 66 | 46 Ų | 46 | 31% | 0.308 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.8 | -29.7 | 179.6 | -61.1 | -54.6 | -38.7 | 0 | 0 | 112.3 | E405 V436 K437 E438 S444 | E405-Q440 PolarHBondContact OE1-NE2 3.43Å; V436-Q440 WeakPolarHBondContact O-CG 3.41Å; V436-Q440 PolarHBondContact O-N 2.97Å; V436-Q440 VanDerWaalsContact O-N 3.12Å; K437-Q440 PolarHBondContact O-N 3.07Å; E438-Q440 PolarHBondContact O-N 2.66Å; Q440-S444 WeakPolarHBondContact O-CB 3.41Å; Q440-S444 PolarHBondContact O-N 2.95Å; Q440-S444 PolarHBondContact O-OG 3.25Å |
| 441 | S | 92.8 | Very high | 91.4 | Very high | 76 Ų | 76 | 43.5 Ų | 43.5 | 53% | 0.531 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.8 | -55.3 | 173.3 | -172.9 | 0 | 0 | 0 | 0 | 111.6 | K437 E438 H439 K443 S444 R445 | K437-S441 VanDerWaalsContact O-CB 3.3Å; K437-S441 WeakPolarHBondContact O-CB 3.22Å; K437-S441 PolarHBondContact O-N 2.88Å; E438-S441 WeakPolarHBondContact O-CB 3.43Å; E438-S441 PolarHBondContact O-N 2.77Å; E438-S441 VanDerWaalsContact O-N 3.07Å; H439-S441 VanDerWaalsContact C-N 3.29Å; H439-S441 PolarHBondContact O-N 3.32Å; S441-K443 VanDerWaalsContact C-N 3.34Å; S441-K443 PolarHBondContact O-N 2.95Å; S441-S444 PolarHBondContact O-N 3.35Å; S441-S444 VanDerWaalsContact O-N 3.16Å; S441-R445 PolarHBondContact O-N 3.36Å |
| 442 | V | 92.3 | Very high | 91.2 | Very high | 6 Ų | 6 | 46.4 Ų | 46.4 | 4% | 0.036 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.9 | -43.9 | 179 | -172.6 | 0 | 0 | 0 | 0 | 110.4 | L363 D367 L370 L401 E438 H439 S444 R445 A446 | L363-V442 HydrophobicContact CD2-CB 4.44Å; L363-V442 HydrophobicContact CD2-CG2 4.4Å; D367-V442 HydrophobicContact CB-CG2 4.21Å; D367-V442 WeakPolarHBondContact OD2-CG2 3.34Å; L370-V442 HydrophobicContact CD1-CG1 3.83Å; L401-V442 HydrophobicContact CD1-CB 4.42Å; L401-V442 HydrophobicContact CD1-CG1 3.82Å; L401-V442 HydrophobicContact CD2-CG1 4.32Å; E438-V442 WeakPolarHBondContact O-CG2 3.46Å; E438-V442 PolarHBondContact O-N 3.05Å; H439-V442 PolarHBondContact O-N 3.22Å; V442-S444 PolarHBondContact O-N 3.14Å; V442-R445 PolarHBondContact O-N 3.34Å; V442-A446 WeakPolarHBondContact O-CB 3.48Å; V442-A446 PolarHBondContact O-N 2.99Å |
| 443 | K | 92.6 | Very high | 90.7 | Very high | 57 Ų | 57 | 46.5 Ų | 46.5 | 25% | 0.248 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60 | -41.3 | 175.2 | -178.9 | -177 | 170.9 | -168 | 0 | 112.7 | L401 E405 H439 S441 S447 | L401-K443 HydrophobicContact CD1-CB 4.46Å; E405-K443 IonicContact OE2-NZ 2.74Å; E405-K443 PolarHBondContact OE2-NZ 3.26Å; H439-K443 WeakPolarHBondContact NE2-CD 3.39Å; H439-K443 WeakPolarHBondContact O-CB 3.39Å; H439-K443 PolarHBondContact O-N 3.19Å; S441-K443 VanDerWaalsContact C-N 3.34Å; S441-K443 PolarHBondContact O-N 2.95Å; K443-S447 VanDerWaalsContact O-CB 3.27Å; K443-S447 WeakPolarHBondContact O-CB 3.35Å; K443-S447 PolarHBondContact O-N 3.21Å; K443-S447 PolarHBondContact O-OG 2.88Å |
| 444 | S | 90.7 | Very high | 90.3 | Very high | 75 Ų | 75 | 43.9 Ų | 43.9 | 52% | 0.524 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67.1 | -42.2 | 176 | -61.3 | 0 | 0 | 0 | 0 | 111.4 | Q440 S441 V442 S447 R448 | Q440-S444 WeakPolarHBondContact O-CB 3.41Å; Q440-S444 PolarHBondContact O-N 2.95Å; Q440-S444 PolarHBondContact O-OG 3.25Å; S441-S444 PolarHBondContact O-N 3.35Å; S441-S444 VanDerWaalsContact O-N 3.16Å; V442-S444 PolarHBondContact O-N 3.14Å; S444-S447 PolarHBondContact O-N 3.47Å; S444-R448 WeakPolarHBondContact O-CB 3.34Å; S444-R448 PolarHBondContact O-N 2.74Å |
| 445 | R | 90.8 | Very high | 90 | Very high | 57 Ų | 57 | 47.9 Ų | 47.9 | 22% | 0.215 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.4 | -44.9 | 177.4 | -163.7 | -177.4 | 66.1 | -168.1 | -9.7 | 111.8 | D367 S441 V442 S447 R448 L449 | D367-R445 VanDerWaalsContact CA-NH2 3.28Å; D367-R445 PolarHBondContact O-NH2 3.27Å; D367-R445 IonicContact OD1-CZ 3.43Å; D367-R445 VanDerWaalsContact OD1-CZ 3.31Å; D367-R445 IonicContact OD1-NH1 2.64Å; D367-R445 PolarHBondContact OD1-NH1 3.07Å; D367-R445 IonicContact OD1-NH2 2.73Å; D367-R445 PolarHBondContact OD1-NH2 2.97Å; D367-R445 IonicContact OD2-CZ 3.76Å; D367-R445 IonicContact OD2-NH1 3.09Å; D367-R445 PolarHBondContact OD2-NH1 2.84Å; D367-R445 IonicContact OD2-NH2 2.67Å; D367-R445 PolarHBondContact OD2-NH2 3.14Å; S441-R445 PolarHBondContact O-N 3.36Å; V442-R445 PolarHBondContact O-N 3.34Å; R445-S447 PolarHBondContact O-N 2.91Å; R445-R448 PolarHBondContact O-N 2.86Å; R445-L449 HydrophobicContact CG-CD1 4.05Å; R445-L449 HydrophobicContact CG-CG 4.43Å; R445-L449 WeakPolarHBondContact O-CB 3.33Å; R445-L449 WeakPolarHBondContact O-CG 3.36Å; R445-L449 PolarHBondContact O-N 3.12Å |
| 446 | A | 91.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.6 | -46.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | L370 V397 R398 L401 V442 R448 C450 | L370-A446 HydrophobicContact CD1-CB 3.83Å; L370-A446 HydrophobicContact CD2-CB 4.1Å; V397-A446 HydrophobicContact CG1-CB 4.2Å; R398-A446 HydrophobicContact CB-CB 4.33Å; L401-A446 HydrophobicContact CD1-CB 3.92Å; V442-A446 WeakPolarHBondContact O-CB 3.48Å; V442-A446 PolarHBondContact O-N 2.99Å; A446-R448 VanDerWaalsContact C-N 3.34Å; A446-R448 PolarHBondContact O-N 2.74Å; A446-C450 WeakPolarHBondContact O-CB 3.38Å; A446-C450 PolarHBondContact O-N 3.44Å |
| 447 | S | 88.6 | Confident | 88.8 | Confident | 40 Ų | 40 | 50 Ų | 50 | 28% | 0.28 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.6 | -38.1 | 178.5 | -57.2 | 0 | 0 | 0 | 0 | 112 | K443 S444 R445 S451 | K443-S447 VanDerWaalsContact O-CB 3.27Å; K443-S447 WeakPolarHBondContact O-CB 3.35Å; K443-S447 PolarHBondContact O-N 3.21Å; K443-S447 PolarHBondContact O-OG 2.88Å; S444-S447 PolarHBondContact O-N 3.47Å; R445-S447 PolarHBondContact O-N 2.91Å; S447-S451 WeakPolarHBondContact O-CB 3.45Å; S447-S451 PolarHBondContact O-N 3.11Å; S447-S451 PolarHBondContact O-OG 3.47Å |
| 448 | R | 91.4 | Very high | 88.3 | Confident | 112 Ų | 112 | 46.4 Ų | 46.4 | 42% | 0.423 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.7 | -54.9 | 175.6 | -176.9 | -179.9 | 65.9 | 74.3 | 7.6 | 111.5 | S444 R445 A446 C450 S451 E452 | S444-R448 WeakPolarHBondContact O-CB 3.34Å; S444-R448 PolarHBondContact O-N 2.74Å; R445-R448 PolarHBondContact O-N 2.86Å; A446-R448 VanDerWaalsContact C-N 3.34Å; A446-R448 PolarHBondContact O-N 2.74Å; R448-C450 VanDerWaalsContact C-N 3.32Å; R448-C450 PolarHBondContact O-N 2.97Å; R448-S451 PolarHBondContact O-N 2.6Å; R448-S451 VanDerWaalsContact O-N 3.08Å; R448-E452 WeakPolarHBondContact CD-OE1 3.26Å; R448-E452 HydrophobicContact CG-CG 4.34Å; R448-E452 WeakPolarHBondContact CG-OE1 3.32Å; R448-E452 IonicContact CZ-OE1 3.83Å; R448-E452 IonicContact CZ-OE2 2.82Å; R448-E452 IonicContact NE-OE1 2.96Å; R448-E452 IonicContact NH1-OE1 2.7Å; R448-E452 PolarHBondContact NH1-OE1 3.38Å; R448-E452 IonicContact NH1-OE2 2.69Å; R448-E452 PolarHBondContact NH1-OE2 3.4Å; R448-E452 WeakPolarHBondContact O-CB 3.39Å; R448-E452 WeakPolarHBondContact O-CG 3.23Å; R448-E452 PolarHBondContact O-N 2.92Å |
| 449 | L | 87.8 | Confident | 87.7 | Confident | 7 Ų | 7 | 47.2 Ų | 47.2 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.6 | -40 | -179.7 | -69.6 | 172 | 0 | 0 | 0 | 112.3 | L370 Y394 R445 E452 S453 | L370-L449 HydrophobicContact CB-CD1 4.26Å; Y394-L449 HydrophobicContact CD1-CB 4.1Å; Y394-L449 HydrophobicContact CD1-CD1 4.43Å; Y394-L449 HydrophobicContact CD2-CB 4.05Å; Y394-L449 HydrophobicContact CE1-CB 4.13Å; Y394-L449 HydrophobicContact CE1-CD1 3.99Å; Y394-L449 HydrophobicContact CE2-CB 4.11Å; Y394-L449 HydrophobicContact CG-CB 4.05Å; R445-L449 HydrophobicContact CG-CD1 4.05Å; R445-L449 HydrophobicContact CG-CG 4.43Å; R445-L449 WeakPolarHBondContact O-CB 3.33Å; R445-L449 WeakPolarHBondContact O-CG 3.36Å; R445-L449 PolarHBondContact O-N 3.12Å; L449-E452 PolarHBondContact O-N 3.31Å; L449-S453 PolarHBondContact O-N 2.89Å; L449-S453 PolarHBondContact O-OG 2.83Å |
| 450 | C | 87.8 | Confident | 87.1 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.3 | -49.1 | 172.2 | -169.8 | 0 | 0 | 0 | 0 | 110.8 | R398 A446 R448 E452 S453 E454 | R398-C450 PolarHBondContact NH1-SG 2.96Å; A446-C450 WeakPolarHBondContact O-CB 3.38Å; A446-C450 PolarHBondContact O-N 3.44Å; R448-C450 VanDerWaalsContact C-N 3.32Å; R448-C450 PolarHBondContact O-N 2.97Å; C450-E452 PolarHBondContact O-N 2.93Å; C450-S453 PolarHBondContact O-OG 3.09Å; C450-S453 VanDerWaalsContact O-OG 3.04Å; C450-E454 WeakPolarHBondContact O-CB 3.42Å; C450-E454 PolarHBondContact O-N 3.03Å |
| 451 | S | 86.6 | Confident | 86.4 | Confident | 53 Ų | 53 | 48.6 Ų | 48.6 | 37% | 0.371 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64 | -38.3 | 178.5 | -54.3 | 0 | 0 | 0 | 0 | 113.6 | S447 R448 L455 | S447-S451 WeakPolarHBondContact O-CB 3.45Å; S447-S451 PolarHBondContact O-N 3.11Å; S447-S451 PolarHBondContact O-OG 3.47Å; R448-S451 PolarHBondContact O-N 2.6Å; R448-S451 VanDerWaalsContact O-N 3.08Å; S451-L455 WeakPolarHBondContact O-CB 3.48Å; S451-L455 VanDerWaalsContact O-CG 3.28Å; S451-L455 WeakPolarHBondContact O-CG 3.46Å; S451-L455 PolarHBondContact O-N 3.11Å |
| 452 | E | 86.8 | Confident | 85.9 | Confident | 79 Ų | 79 | 51.2 Ų | 51.2 | 37% | 0.369 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.3 | -50.9 | 178.2 | -75.4 | 167.2 | -179.2 | 0 | 0 | 111.1 | R448 L449 C450 E454 L455 E456 | R448-E452 WeakPolarHBondContact CD-OE1 3.26Å; R448-E452 HydrophobicContact CG-CG 4.34Å; R448-E452 WeakPolarHBondContact CG-OE1 3.32Å; R448-E452 IonicContact CZ-OE1 3.83Å; R448-E452 IonicContact CZ-OE2 2.82Å; R448-E452 IonicContact NE-OE1 2.96Å; R448-E452 IonicContact NH1-OE1 2.7Å; R448-E452 PolarHBondContact NH1-OE1 3.38Å; R448-E452 IonicContact NH1-OE2 2.69Å; R448-E452 PolarHBondContact NH1-OE2 3.4Å; R448-E452 WeakPolarHBondContact O-CB 3.39Å; R448-E452 WeakPolarHBondContact O-CG 3.23Å; R448-E452 PolarHBondContact O-N 2.92Å; L449-E452 PolarHBondContact O-N 3.31Å; C450-E452 PolarHBondContact O-N 2.93Å; E452-E454 VanDerWaalsContact C-N 3.35Å; E452-E454 PolarHBondContact O-N 3.36Å; E452-L455 PolarHBondContact O-N 3.17Å; E452-E456 WeakPolarHBondContact O-CG 3.35Å; E452-E456 PolarHBondContact O-N 3.07Å |
| 453 | S | 83.9 | Confident | 85.4 | Confident | 5 Ų | 5 | 53.8 Ų | 53.8 | 4% | 0.035 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.4 | -34.8 | 176 | 56 | 0 | 0 | 0 | 0 | 113.2 | Y394 L449 C450 E456 L457 | Y394-S453 WeakPolarHBondContact CD2-OG 3.26Å; L449-S453 PolarHBondContact O-N 2.89Å; L449-S453 PolarHBondContact O-OG 2.83Å; C450-S453 PolarHBondContact O-OG 3.09Å; C450-S453 VanDerWaalsContact O-OG 3.04Å; S453-E456 PolarHBondContact O-N 3.36Å; S453-L457 VanDerWaalsContact O-CB 3.25Å; S453-L457 WeakPolarHBondContact O-CB 3.36Å; S453-L457 PolarHBondContact O-N 3.28Å |
| 454 | E | 83.9 | Confident | 84.8 | Confident | 27 Ų | 27 | 51.8 Ų | 51.8 | 13% | 0.126 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65 | -39.1 | 174.6 | -162.5 | 177.1 | 110.2 | 0 | 0 | 111.6 | W391 C450 E452 R458 | W391-E454 PolarHBondContact NE1-OE2 3.41Å; C450-E454 WeakPolarHBondContact O-CB 3.42Å; C450-E454 PolarHBondContact O-N 3.03Å; E452-E454 VanDerWaalsContact C-N 3.35Å; E452-E454 PolarHBondContact O-N 3.36Å; E454-R458 WeakPolarHBondContact O-CB 3.49Å; E454-R458 VanDerWaalsContact O-CG 3.23Å; E454-R458 WeakPolarHBondContact O-CG 3.44Å; E454-R458 PolarHBondContact O-N 2.97Å; E454-R458 IonicContact OE1-CZ 2.82Å; E454-R458 IonicContact OE1-NH1 3.18Å; E454-R458 PolarHBondContact OE1-NH1 2.87Å; E454-R458 IonicContact OE1-NH2 2.75Å; E454-R458 PolarHBondContact OE1-NH2 3.41Å |
| 455 | L | 85.3 | Confident | 84.3 | Confident | 114 Ų | 114 | 49.1 Ų | 49.1 | 60% | 0.597 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -69.5 | -43.1 | 174.5 | -77.4 | 166.4 | 0 | 0 | 0 | 112.4 | S451 E452 R458 S459 | S451-L455 WeakPolarHBondContact O-CB 3.48Å; S451-L455 VanDerWaalsContact O-CG 3.28Å; S451-L455 WeakPolarHBondContact O-CG 3.46Å; S451-L455 PolarHBondContact O-N 3.11Å; E452-L455 PolarHBondContact O-N 3.17Å; L455-R458 PolarHBondContact O-N 3.27Å; L455-S459 WeakPolarHBondContact O-CB 3.27Å; L455-S459 PolarHBondContact O-N 2.93Å |
| 456 | E | 80.3 | Confident | 83.9 | Confident | 69 Ų | 69 | 51 Ų | 51 | 32% | 0.322 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57.8 | -50.5 | 173.8 | -71.7 | 174.1 | 152.4 | 0 | 0 | 110.6 | K377 M387 E452 S453 S459 L460 | K377-E456 IonicContact NZ-OE1 2.75Å; K377-E456 PolarHBondContact NZ-OE1 3.25Å; K377-E456 IonicContact NZ-OE2 3.9Å; K377-E456 PolarHBondContact NZ-OE2 2.9Å; M387-E456 HydrophobicContact CE-CB 3.67Å; M387-E456 HydrophobicContact CE-CG 4.35Å; M387-E456 WeakPolarHBondContact CE-OE2 3.45Å; E452-E456 WeakPolarHBondContact O-CG 3.35Å; E452-E456 PolarHBondContact O-N 3.07Å; S453-E456 PolarHBondContact O-N 3.36Å; E456-S459 WeakPolarHBondContact O-CB 3.43Å; E456-S459 PolarHBondContact O-N 3.45Å; E456-S459 VanDerWaalsContact O-N 3.13Å; E456-S459 PolarHBondContact O-OG 3.12Å; E456-L460 PolarHBondContact O-N 3.4Å; E456-L460 VanDerWaalsContact O-N 3.13Å |
| 457 | L | 82 | Confident | 83.4 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.2 | -43 | -179.6 | -172.2 | 56.9 | 0 | 0 | 0 | 112.4 | E384 E388 W391 S453 S459 L460 L461 L521 V525 | E384-L457 HydrophobicContact CG-CD1 4.42Å; E388-L457 HydrophobicContact CB-CD2 4.25Å; E388-L457 HydrophobicContact CG-CD2 4.39Å; W391-L457 HydrophobicContact CB-CD2 4.49Å; S453-L457 VanDerWaalsContact O-CB 3.25Å; S453-L457 WeakPolarHBondContact O-CB 3.36Å; S453-L457 PolarHBondContact O-N 3.28Å; L457-S459 PolarHBondContact O-N 3.19Å; L457-L460 PolarHBondContact O-N 3.46Å; L457-L461 HydrophobicContact CD1-CD1 4.19Å; L457-L461 HydrophobicContact CD1-CG 4.44Å; L457-L461 HydrophobicContact CG-CD1 4Å; L457-L461 WeakPolarHBondContact O-CG 3.3Å; L457-L461 PolarHBondContact O-N 3.33Å; L457-L521 HydrophobicContact CD2-CD1 4.42Å; L457-V525 HydrophobicContact CD2-CG1 4.48Å; L457-V525 HydrophobicContact CD2-CG2 3.61Å; L457-V525 HydrophobicContact CG-CG1 4.4Å; L457-V525 HydrophobicContact CG-CG2 4.24Å |
| 458 | R | 81.4 | Confident | 83.2 | Confident | 75 Ų | 75 | 52.7 Ų | 52.7 | 28% | 0.283 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.5 | -32 | 172.5 | -77.5 | -172.8 | -174.7 | 121.4 | 3.5 | 113.1 | E454 L455 R462 V525 F526 | E454-R458 WeakPolarHBondContact O-CB 3.49Å; E454-R458 VanDerWaalsContact O-CG 3.23Å; E454-R458 WeakPolarHBondContact O-CG 3.44Å; E454-R458 PolarHBondContact O-N 2.97Å; E454-R458 IonicContact OE1-CZ 2.82Å; E454-R458 IonicContact OE1-NH1 3.18Å; E454-R458 PolarHBondContact OE1-NH1 2.87Å; E454-R458 IonicContact OE1-NH2 2.75Å; E454-R458 PolarHBondContact OE1-NH2 3.41Å; L455-R458 PolarHBondContact O-N 3.27Å; R458-R462 PolarHBondContact O-N 2.93Å; R458-V525 HydrophobicContact CG-CG1 3.51Å; R458-V525 PolarHBondContact NE-O 2.84Å; R458-V525 PolarHBondContact NH2-O 3.18Å; R458-F526 HydrophobicContact CB-CE1 3.89Å; R458-F526 HydrophobicContact CB-CZ 3.78Å; R458-F526 HydrophobicContact CG-CD1 4.03Å; R458-F526 HydrophobicContact CG-CE1 3.52Å; R458-F526 HydrophobicContact CG-CE2 4.16Å; R458-F526 HydrophobicContact CG-CZ 3.6Å |
| 459 | S | 80.5 | Confident | 82.7 | Confident | 74 Ų | 74 | 49.5 Ų | 49.5 | 52% | 0.517 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -71.2 | -44.5 | 178.2 | 79.1 | 0 | 0 | 0 | 0 | 111.7 | L455 E456 L457 R462 D463 | L455-S459 WeakPolarHBondContact O-CB 3.27Å; L455-S459 PolarHBondContact O-N 2.93Å; E456-S459 WeakPolarHBondContact O-CB 3.43Å; E456-S459 PolarHBondContact O-N 3.45Å; E456-S459 VanDerWaalsContact O-N 3.13Å; E456-S459 PolarHBondContact O-OG 3.12Å; L457-S459 PolarHBondContact O-N 3.19Å; S459-R462 PolarHBondContact O-N 3.15Å; S459-D463 PolarHBondContact O-N 2.93Å |
| 460 | L | 79.2 | Confident | 82.5 | Confident | 88 Ų | 88 | 54.1 Ų | 54.1 | 46% | 0.461 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.4 | -45.1 | 177.8 | -68.3 | 169.9 | 0 | 0 | 0 | 111.6 | M387 E456 L457 R462 D463 | M387-L460 HydrophobicContact CE-CD1 4.19Å; E456-L460 PolarHBondContact O-N 3.4Å; E456-L460 VanDerWaalsContact O-N 3.13Å; L457-L460 PolarHBondContact O-N 3.46Å; L460-R462 PolarHBondContact O-N 3.34Å; L460-R462 VanDerWaalsContact O-N 3.16Å; L460-D463 PolarHBondContact O-N 3.26Å |
| 461 | L | 78.9 | Confident | 82.5 | Confident | 6 Ų | 6 | 54.7 Ų | 54.7 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -15.5 | 179.6 | -67.3 | 167 | 0 | 0 | 0 | 113.5 | L457 L515 L521 L522 V525 F526 | L457-L461 HydrophobicContact CD1-CD1 4.19Å; L457-L461 HydrophobicContact CD1-CG 4.44Å; L457-L461 HydrophobicContact CG-CD1 4Å; L457-L461 WeakPolarHBondContact O-CG 3.3Å; L457-L461 PolarHBondContact O-N 3.33Å; L461-L515 HydrophobicContact CB-CD1 4.38Å; L461-L515 HydrophobicContact CD2-CD1 3.7Å; L461-L515 WeakPolarHBondContact O-CD2 3.5Å; L461-L521 HydrophobicContact CD1-CD2 4.4Å; L461-L521 HydrophobicContact CD1-CG 4.2Å; L461-L521 HydrophobicContact CD2-CD2 4.05Å; L461-L522 HydrophobicContact CB-CD2 4.21Å; L461-L522 HydrophobicContact CD1-CD2 4.27Å; L461-L522 HydrophobicContact CD2-CD2 4.45Å; L461-V525 HydrophobicContact CD1-CG1 4.3Å; L461-F526 HydrophobicContact CB-CE2 4.06Å; L461-F526 HydrophobicContact CB-CZ 4.39Å; L461-F526 HydrophobicContact CD1-CE2 4.01Å |
| 462 | R | 81.6 | Confident | 82.4 | Confident | 131 Ų | 131 | 52.9 Ų | 52.9 | 49% | 0.494 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -14.3 | 178.7 | -165.7 | 169.3 | -73.3 | -157.3 | -5.9 | 113.9 | R458 S459 L460 L465 L466 | R458-R462 PolarHBondContact O-N 2.93Å; S459-R462 PolarHBondContact O-N 3.15Å; L460-R462 PolarHBondContact O-N 3.34Å; L460-R462 VanDerWaalsContact O-N 3.16Å; R462-L465 PolarHBondContact O-N 3.33Å; R462-L466 PolarHBondContact O-N 2.84Å |
| 463 | D | 81.2 | Confident | 82.2 | Confident | 60 Ų | 60 | 54 Ų | 54 | 32% | 0.321 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -56.2 | -41.4 | 178.7 | 175.1 | 66.7 | 0 | 0 | 0 | 114.4 | S459 L460 L465 L466 N467 R511 | S459-D463 PolarHBondContact O-N 2.93Å; L460-D463 PolarHBondContact O-N 3.26Å; D463-L465 VanDerWaalsContact C-N 3.28Å; D463-L465 PolarHBondContact O-N 3.23Å; D463-L466 WeakPolarHBondContact O-CB 2.81Å; D463-L466 PolarHBondContact O-N 2.96Å; D463-L466 VanDerWaalsContact O-N 3.12Å; D463-N467 PolarHBondContact O-N 3.29Å; D463-N467 PolarHBondContact O-ND2 3.24Å; D463-N467 PolarHBondContact OD1-ND2 3.1Å; D463-N467 PolarHBondContact OD2-ND2 3.01Å; D463-R511 IonicContact OD2-NH1 2.79Å; D463-R511 PolarHBondContact OD2-NH1 2.95Å |
| 464 | P | 80.8 | Confident | 81.9 | Confident | 16 Ų | 16 | 56.1 Ų | 56.1 | 10% | 0.104 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.4 | -35.5 | 179.1 | -27.9 | 37.9 | 0 | 0 | 0 | 114.1 | F468 L512 L515 | P464-F468 PolarHBondContact O-N 3.35Å; P464-L512 HydrophobicContact CB-CD2 3.92Å; P464-L515 HydrophobicContact CB-CD2 4.21Å; P464-L515 HydrophobicContact CG-CD2 4.12Å |
| 465 | L | 79.5 | Confident | 81.9 | Confident | 19 Ų | 19 | 54.9 Ų | 54.9 | 10% | 0.099 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.2 | -38.5 | 176.8 | -63.7 | 174.6 | 0 | 0 | 0 | 111.7 | R462 D463 F468 S469 L512 L534 L538 A541 | R462-L465 PolarHBondContact O-N 3.33Å; D463-L465 VanDerWaalsContact C-N 3.28Å; D463-L465 PolarHBondContact O-N 3.23Å; L465-F468 PolarHBondContact O-N 3Å; L465-S469 PolarHBondContact O-N 3.45Å; L465-S469 VanDerWaalsContact O-N 3.09Å; L465-L512 HydrophobicContact CD2-CD2 4.17Å; L465-L534 HydrophobicContact CD1-CD2 3.69Å; L465-L538 HydrophobicContact CD2-CB 4.22Å; L465-L538 HydrophobicContact CD2-CD1 3.87Å; L465-A541 HydrophobicContact CD2-CB 4.02Å |
| 466 | L | 82.9 | Confident | 81.7 | Confident | 97 Ų | 97 | 52.1 Ų | 52.1 | 51% | 0.508 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62 | -46.3 | 174.2 | -178.1 | 63 | 0 | 0 | 0 | 110.9 | R462 D463 F468 S469 Q470 | R462-L466 PolarHBondContact O-N 2.84Å; D463-L466 WeakPolarHBondContact O-CB 2.81Å; D463-L466 PolarHBondContact O-N 2.96Å; D463-L466 VanDerWaalsContact O-N 3.12Å; L466-F468 PolarHBondContact O-N 3.31Å; L466-S469 PolarHBondContact O-N 3.31Å; L466-S469 PolarHBondContact O-OG 2.83Å; L466-Q470 PolarHBondContact O-N 3.45Å |
| 467 | N | 81.3 | Confident | 81.6 | Confident | 46 Ų | 46 | 54.5 Ų | 54.5 | 25% | 0.246 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.1 | -39.3 | 177.7 | -70.8 | -58.1 | 0 | 0 | 0 | 112.7 | D463 S469 Q470 W471 L508 | D463-N467 PolarHBondContact O-N 3.29Å; D463-N467 PolarHBondContact O-ND2 3.24Å; D463-N467 PolarHBondContact OD1-ND2 3.1Å; D463-N467 PolarHBondContact OD2-ND2 3.01Å; N467-S469 VanDerWaalsContact C-N 3.33Å; N467-S469 PolarHBondContact O-N 3.47Å; N467-Q470 PolarHBondContact O-N 3.13Å; N467-W471 PolarHBondContact O-N 2.92Å; N467-W471 VanDerWaalsContact O-N 3.11Å; N467-L508 HydrophobicContact CB-CD2 3.89Å |
| 468 | F | 84.5 | Confident | 81.4 | Confident | 28 Ų | 28 | 54.6 Ų | 54.6 | 12% | 0.123 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.5 | -45.1 | 170.9 | 162.8 | -103.9 | 0 | 0 | 0 | 112.1 | P464 L465 L466 Q470 W471 A472 L512 A541 T544 R545 | P464-F468 PolarHBondContact O-N 3.35Å; L465-F468 PolarHBondContact O-N 3Å; L466-F468 PolarHBondContact O-N 3.31Å; F468-Q470 VanDerWaalsContact C-N 3.33Å; F468-Q470 PolarHBondContact O-N 2.89Å; F468-W471 HydrophobicContact CD2-CE3 4.19Å; F468-W471 HydrophobicContact CE2-CE3 4.23Å; F468-W471 HydrophobicContact CE2-CZ3 4.21Å; F468-W471 PolarHBondContact O-N 3.49Å; F468-A472 HydrophobicContact CE2-CB 4.27Å; F468-A472 HydrophobicContact CZ-CB 4.23Å; F468-A472 WeakPolarHBondContact O-CB 3.44Å; F468-A472 PolarHBondContact O-N 3.06Å; F468-L512 HydrophobicContact CB-CD1 4.39Å; F468-A541 HydrophobicContact CD1-CB 3.58Å; F468-A541 HydrophobicContact CD2-CB 4.48Å; F468-A541 HydrophobicContact CE1-CB 3.69Å; F468-A541 WeakPolarHBondContact CE2-O 2.8Å; F468-A541 HydrophobicContact CG-CB 4.01Å; F468-A541 HydrophobicContact CZ-CB 4.21Å; F468-T544 HydrophobicContact CZ-CG2 3.98Å; F468-R545 HydrophobicContact CD2-CB 4.14Å; F468-R545 HydrophobicContact CE2-CB 3.82Å |
| 469 | S | 81.3 | Confident | 81.2 | Confident | 46 Ų | 46 | 53.2 Ų | 53.2 | 32% | 0.322 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.9 | -38.8 | -179.2 | 78.9 | 0 | 0 | 0 | 0 | 113 | L465 L466 N467 A472 N473 | L465-S469 PolarHBondContact O-N 3.45Å; L465-S469 VanDerWaalsContact O-N 3.09Å; L466-S469 PolarHBondContact O-N 3.31Å; L466-S469 PolarHBondContact O-OG 2.83Å; N467-S469 VanDerWaalsContact C-N 3.33Å; N467-S469 PolarHBondContact O-N 3.47Å; S469-A472 PolarHBondContact O-N 3.47Å; S469-N473 PolarHBondContact O-N 3.17Å; S469-N473 VanDerWaalsContact O-N 3.12Å; S469-N473 PolarHBondContact O-ND2 3.27Å; S469-N473 VanDerWaalsContact O-ND2 3.13Å |
| 470 | Q | 82.6 | Confident | 80.8 | Confident | 104 Ų | 104 | 56.3 Ų | 56.3 | 49% | 0.486 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -69.2 | -39.8 | 178.1 | -63.7 | 179.7 | 37.4 | 0 | 0 | 111.9 | L466 N467 F468 S474 | L466-Q470 PolarHBondContact O-N 3.45Å; N467-Q470 PolarHBondContact O-N 3.13Å; F468-Q470 VanDerWaalsContact C-N 3.33Å; F468-Q470 PolarHBondContact O-N 2.89Å; Q470-S474 PolarHBondContact O-N 2.89Å; Q470-S474 VanDerWaalsContact O-N 3.14Å; Q470-S474 PolarHBondContact O-OG 3.35Å |
| 471 | W | 87.8 | Confident | 80.1 | Confident | 12 Ų | 12 | 55 Ų | 55 | 5% | 0.045 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.6 | -46.9 | 173.2 | 173.7 | 88.1 | 0 | 0 | 0 | 111.7 | N467 F468 N473 S474 V475 L501 S505 L508 R545 L548 L552 | N467-W471 PolarHBondContact O-N 2.92Å; N467-W471 VanDerWaalsContact O-N 3.11Å; F468-W471 HydrophobicContact CD2-CE3 4.19Å; F468-W471 HydrophobicContact CE2-CE3 4.23Å; F468-W471 HydrophobicContact CE2-CZ3 4.21Å; F468-W471 PolarHBondContact O-N 3.49Å; W471-N473 VanDerWaalsContact C-N 3.34Å; W471-N473 PolarHBondContact O-N 2.85Å; W471-S474 CarbonylContact O-C 3.32Å; W471-S474 WeakPolarHBondContact O-CA 3.5Å; W471-S474 VanDerWaalsContact O-CB 3.3Å; W471-S474 WeakPolarHBondContact O-CB 3.39Å; W471-S474 PolarHBondContact O-N 2.91Å; W471-V475 HydrophobicContact CD2-CG2 3.91Å; W471-V475 HydrophobicContact CE3-CG2 4.16Å; W471-V475 HydrophobicContact CH2-CG2 3.85Å; W471-V475 HydrophobicContact CZ2-CG2 3.56Å; W471-V475 HydrophobicContact CZ3-CG2 4.12Å; W471-V475 WeakPolarHBondContact O-CG2 3.49Å; W471-V475 PolarHBondContact O-N 3.26Å; W471-L501 PolarHBondContact NE1-O 3.3Å; W471-S505 WeakPolarHBondContact CH2-OG 3.37Å; W471-S505 WeakPolarHBondContact CZ2-OG 3.46Å; W471-L508 HydrophobicContact CB-CD1 3.38Å; W471-L508 HydrophobicContact CD2-CD1 3.87Å; W471-L508 HydrophobicContact CE3-CD1 4.4Å; W471-L508 HydrophobicContact CG-CD1 3.39Å; W471-R545 HydrophobicContact CE3-CG 4.24Å; W471-R545 HydrophobicContact CH2-CB 4.49Å; W471-R545 HydrophobicContact CH2-CG 3.73Å; W471-R545 HydrophobicContact CZ2-CG 4.48Å; W471-R545 HydrophobicContact CZ3-CB 4.09Å; W471-R545 HydrophobicContact CZ3-CG 3.6Å; W471-L548 HydrophobicContact CH2-CB 3.66Å; W471-L548 HydrophobicContact CZ3-CB 3.87Å; W471-L548 HydrophobicContact CZ3-CD1 3.9Å; W471-L552 HydrophobicContact CZ2-CD1 4.27Å |
| 472 | A | 83.8 | Confident | 79.3 | Confident | 15 Ų | 15 | 54.8 Ų | 54.8 | 12% | 0.124 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.7 | -43.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F468 S469 S474 V475 S476 L548 | F468-A472 HydrophobicContact CE2-CB 4.27Å; F468-A472 HydrophobicContact CZ-CB 4.23Å; F468-A472 WeakPolarHBondContact O-CB 3.44Å; F468-A472 PolarHBondContact O-N 3.06Å; S469-A472 PolarHBondContact O-N 3.47Å; A472-S474 VanDerWaalsContact C-N 3.3Å; A472-S474 PolarHBondContact O-N 2.89Å; A472-V475 WeakPolarHBondContact O-CB 3.5Å; A472-V475 PolarHBondContact O-N 3.35Å; A472-S476 PolarHBondContact O-N 3.04Å; A472-S476 VanDerWaalsContact O-N 3.1Å; A472-S476 PolarHBondContact O-OG 3.03Å; A472-L548 HydrophobicContact CB-CD1 3.8Å |
| 473 | N | 82.6 | Confident | 78.4 | Confident | 103 Ų | 103 | 53.8 Ų | 53.8 | 55% | 0.551 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -59.6 | -39.6 | 172.2 | -73.5 | -33.8 | 0 | 0 | 0 | 112.5 | S469 W471 S476 Q477 | S469-N473 PolarHBondContact O-N 3.17Å; S469-N473 VanDerWaalsContact O-N 3.12Å; S469-N473 PolarHBondContact O-ND2 3.27Å; S469-N473 VanDerWaalsContact O-ND2 3.13Å; W471-N473 VanDerWaalsContact C-N 3.34Å; W471-N473 PolarHBondContact O-N 2.85Å; N473-S476 PolarHBondContact O-N 3.28Å; N473-Q477 WeakPolarHBondContact O-CG 3.39Å; N473-Q477 PolarHBondContact O-N 3.4Å |
| 474 | S | 79.6 | Confident | 77.3 | Confident | 49 Ų | 49 | 58 Ų | 58 | 34% | 0.343 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.1 | -33.4 | 177.5 | -56.5 | 0 | 0 | 0 | 0 | 112.7 | Q470 W471 A472 V478 | Q470-S474 PolarHBondContact O-N 2.89Å; Q470-S474 VanDerWaalsContact O-N 3.14Å; Q470-S474 PolarHBondContact O-OG 3.35Å; W471-S474 CarbonylContact O-C 3.32Å; W471-S474 WeakPolarHBondContact O-CA 3.5Å; W471-S474 VanDerWaalsContact O-CB 3.3Å; W471-S474 WeakPolarHBondContact O-CB 3.39Å; W471-S474 PolarHBondContact O-N 2.91Å; A472-S474 VanDerWaalsContact C-N 3.3Å; A472-S474 PolarHBondContact O-N 2.89Å; S474-V478 WeakPolarHBondContact O-CG2 3.44Å; S474-V478 PolarHBondContact O-N 3.31Å |
| 475 | V | 82.6 | Confident | 76.1 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.8 | -51.1 | 171.6 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | W471 A472 Q477 V478 M479 L501 L548 L552 | W471-V475 HydrophobicContact CD2-CG2 3.91Å; W471-V475 HydrophobicContact CE3-CG2 4.16Å; W471-V475 HydrophobicContact CH2-CG2 3.85Å; W471-V475 HydrophobicContact CZ2-CG2 3.56Å; W471-V475 HydrophobicContact CZ3-CG2 4.12Å; W471-V475 WeakPolarHBondContact O-CG2 3.49Å; W471-V475 PolarHBondContact O-N 3.26Å; A472-V475 WeakPolarHBondContact O-CB 3.5Å; A472-V475 PolarHBondContact O-N 3.35Å; V475-Q477 VanDerWaalsContact C-N 3.34Å; V475-Q477 PolarHBondContact O-N 2.86Å; V475-V478 PolarHBondContact O-N 3.2Å; V475-M479 HydrophobicContact CG1-CG 4.06Å; V475-M479 WeakPolarHBondContact O-CG 3.5Å; V475-M479 PolarHBondContact O-N 2.98Å; V475-L501 HydrophobicContact CG2-CD1 4.5Å; V475-L548 HydrophobicContact CG1-CB 4.22Å; V475-L548 HydrophobicContact CG1-CD2 4.02Å; V475-L552 HydrophobicContact CB-CD1 4.43Å; V475-L552 HydrophobicContact CG1-CD1 3.86Å; V475-L552 HydrophobicContact CG1-CD2 4Å; V475-L552 HydrophobicContact CG1-CG 3.75Å; V475-L552 HydrophobicContact CG2-CD1 3.77Å |
| 476 | S | 80.4 | Confident | 75 | Confident | 56 Ų | 56 | 66.3 Ų | 66.3 | 39% | 0.392 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -55.2 | -47.4 | -178.6 | -59.9 | 0 | 0 | 0 | 0 | 112.3 | A472 N473 V478 M479 E480 | A472-S476 PolarHBondContact O-N 3.04Å; A472-S476 VanDerWaalsContact O-N 3.1Å; A472-S476 PolarHBondContact O-OG 3.03Å; N473-S476 PolarHBondContact O-N 3.28Å; S476-V478 VanDerWaalsContact C-N 3.29Å; S476-V478 PolarHBondContact O-N 3.31Å; S476-M479 PolarHBondContact O-N 3.15Å; S476-E480 PolarHBondContact O-N 3.49Å |
| 477 | Q | 79.6 | Confident | 73.8 | Confident | 120 Ų | 120 | 66.4 Ų | 66.4 | 56% | 0.561 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -59.7 | -36.2 | 177.6 | -69.2 | 175.8 | 14 | 0 | 0 | 113.3 | N473 V475 A481 | N473-Q477 WeakPolarHBondContact O-CG 3.39Å; N473-Q477 PolarHBondContact O-N 3.4Å; V475-Q477 VanDerWaalsContact C-N 3.34Å; V475-Q477 PolarHBondContact O-N 2.86Å; Q477-A481 VanDerWaalsContact O-CB 3.31Å; Q477-A481 WeakPolarHBondContact O-CB 3.48Å; Q477-A481 PolarHBondContact O-N 2.93Å; Q477-A481 VanDerWaalsContact O-N 3.12Å |
| 478 | V | 77.6 | Confident | 72.7 | Confident | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.006 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -77.1 | -35 | 178.8 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | S474 V475 S476 S482 K497 I498 L501 | S474-V478 WeakPolarHBondContact O-CG2 3.44Å; S474-V478 PolarHBondContact O-N 3.31Å; V475-V478 PolarHBondContact O-N 3.2Å; S476-V478 VanDerWaalsContact C-N 3.29Å; S476-V478 PolarHBondContact O-N 3.31Å; V478-S482 WeakPolarHBondContact O-CB 3.48Å; V478-S482 PolarHBondContact O-N 3.44Å; V478-S482 VanDerWaalsContact O-N 3.15Å; V478-K497 HydrophobicContact CG2-CD 3.62Å; V478-K497 VanDerWaalsContact CG2-CE 3.43Å; V478-K497 HydrophobicContact CG2-CG 3.95Å; V478-I498 HydrophobicContact CG1-CD1 4.35Å; V478-I498 HydrophobicContact CG1-CG1 3.58Å; V478-L501 HydrophobicContact CB-CD1 3.91Å; V478-L501 HydrophobicContact CG1-CD1 4.27Å; V478-L501 HydrophobicContact CG2-CD1 3.66Å |
| 479 | M | 76.2 | Confident | 71.5 | Confident | 46 Ų | 46 | 72.4 Ų | 72.4 | 23% | 0.227 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.1 | -44.3 | 173.5 | -68.6 | -64.6 | -72.8 | 0 | 0 | 111.4 | V475 S476 S482 Q551 L552 R555 | V475-M479 HydrophobicContact CG1-CG 4.06Å; V475-M479 WeakPolarHBondContact O-CG 3.5Å; V475-M479 PolarHBondContact O-N 2.98Å; S476-M479 PolarHBondContact O-N 3.15Å; M479-S482 WeakPolarHBondContact O-CB 3.45Å; M479-S482 PolarHBondContact O-N 3.37Å; M479-S482 PolarHBondContact O-OG 2.98Å; M479-Q551 HydrophobicContact CE-CB 4.04Å; M479-L552 HydrophobicContact SD-CD2 4.17Å; M479-R555 HydrophobicContact CE-CB 4.25Å; M479-R555 HydrophobicContact CE-CG 4.35Å; M479-R555 HydrophobicContact SD-CB 3.94Å; M479-R555 HydrophobicContact SD-CG 3.96Å |
| 480 | E | 73.1 | Confident | 70.6 | Confident | 139 Ų | 139 | 73.6 Ų | 73.6 | 65% | 0.65 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -61.6 | -51.3 | 174.7 | -72.5 | -177.2 | 163.3 | 0 | 0 | 112.4 | S476 S482 N483 | S476-E480 PolarHBondContact O-N 3.49Å; E480-S482 PolarHBondContact O-N 3.17Å; E480-S482 VanDerWaalsContact O-N 3.09Å; E480-N483 PolarHBondContact O-N 2.8Å; E480-N483 VanDerWaalsContact O-N 3.13Å |
| 481 | A | 64.1 | Low | 69.8 | Low | 61 Ų | 61 | 69.2 Ų | 69.2 | 50% | 0.504 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.9 | -25.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q477 N483 L494 | Q477-A481 VanDerWaalsContact O-CB 3.31Å; Q477-A481 WeakPolarHBondContact O-CB 3.48Å; Q477-A481 PolarHBondContact O-N 2.93Å; Q477-A481 VanDerWaalsContact O-N 3.12Å; A481-N483 VanDerWaalsContact C-N 3.31Å; A481-N483 PolarHBondContact O-N 2.7Å; A481-L494 HydrophobicContact CB-CD2 4.38Å |
| 482 | S | 63 | Low | 68.7 | Low | 2 Ų | 2 | 70.9 Ų | 70.9 | 1% | 0.014 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -69.6 | -23.2 | 179.6 | 81.9 | 0 | 0 | 0 | 0 | 114.5 | V478 M479 E480 N484 R555 | V478-S482 WeakPolarHBondContact O-CB 3.48Å; V478-S482 PolarHBondContact O-N 3.44Å; V478-S482 VanDerWaalsContact O-N 3.15Å; M479-S482 WeakPolarHBondContact O-CB 3.45Å; M479-S482 PolarHBondContact O-N 3.37Å; M479-S482 PolarHBondContact O-OG 2.98Å; E480-S482 PolarHBondContact O-N 3.17Å; E480-S482 VanDerWaalsContact O-N 3.09Å; S482-N484 VanDerWaalsContact C-N 3.34Å; S482-N484 PolarHBondContact O-N 2.95Å; S482-R555 VanDerWaalsContact C-NH2 3.33Å; S482-R555 PolarHBondContact O-NH2 2.82Å; S482-R555 VanDerWaalsContact OG-CZ 3.24Å; S482-R555 PolarHBondContact OG-NE 2.82Å; S482-R555 PolarHBondContact OG-NH2 2.69Å |
| 483 | N | 62.7 | Low | 68.2 | Low | 110 Ų | 110 | 75.9 Ų | 75.9 | 59% | 0.588 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -74.7 | -18.4 | -163.1 | -71 | -29 | 0 | 0 | 0 | 114.9 | E480 A481 | E480-N483 PolarHBondContact O-N 2.8Å; E480-N483 VanDerWaalsContact O-N 3.13Å; A481-N483 VanDerWaalsContact C-N 3.31Å; A481-N483 PolarHBondContact O-N 2.7Å |
| 484 | N | 57.4 | Low | 67.8 | Low | 149 Ų | 149 | 72 Ų | 72 | 80% | 0.797 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -116.3 | 22.9 | -169.7 | -66.1 | -30.4 | 0 | 0 | 0 | 114.2 | S482 | S482-N484 VanDerWaalsContact C-N 3.34Å; S482-N484 PolarHBondContact O-N 2.95Å |
| 485 | V | 55.9 | Low | 67.7 | Low | 39 Ų | 39 | 70.9 Ų | 70.9 | 24% | 0.236 | 39% | 0.39 | C | S | . | . | trans | -103.1 | 112.8 | -174.3 | 179.4 | 0 | 0 | 0 | 0 | 112.7 | D487 N490 T491 L494 | V485-D487 WeakPolarHBondContact CG1-O 3.3Å; V485-N490 HydrophobicContact CG1-CB 3.67Å; V485-N490 HydrophobicContact CG2-CB 4.36Å; V485-T491 WeakPolarHBondContact CG1-OG1 3.16Å; V485-L494 HydrophobicContact CB-CD1 4.28Å; V485-L494 HydrophobicContact CG2-CD1 3.65Å | ||
| 486 | N | 56.6 | Low | 67.5 | Low | 170 Ų | 170 | 77.7 Ų | 77.7 | 91% | 0.909 | 42% | 0.422 | S | S | * | . | trans | -107.1 | 8.3 | 172.6 | -65.2 | -10.5 | 0 | 0 | 0 | 112.7 | ||||
| 487 | D | 56.7 | Low | 67.4 | Low | 98 Ų | 98 | 80.8 Ų | 80.8 | 52% | 0.524 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -126 | 136.5 | -164.7 | -164.9 | 1.3 | 0 | 0 | 0 | 112.2 | V485 S489 N490 T491 | V485-D487 WeakPolarHBondContact CG1-O 3.3Å; D487-S489 PolarHBondContact O-N 2.87Å; D487-N490 PolarHBondContact O-N 2.93Å; D487-T491 PolarHBondContact O-N 3.46Å; D487-T491 VanDerWaalsContact O-N 3.11Å; D487-T491 PolarHBondContact O-OG1 3.35Å |
| 488 | F | 58.3 | Low | 67.5 | Low | 117 Ų | 117 | 75.1 Ų | 75.1 | 51% | 0.513 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -68.1 | -41.1 | -161.2 | -169.1 | -90 | 0 | 0 | 0 | 112.7 | N490 T491 A492 I563 | F488-N490 PolarHBondContact O-N 3.42Å; F488-T491 WeakPolarHBondContact O-CB 3.45Å; F488-T491 PolarHBondContact O-N 3.11Å; F488-A492 PolarHBondContact O-N 3.22Å; F488-I563 HydrophobicContact CE2-CB 4.28Å; F488-I563 HydrophobicContact CE2-CG1 4.08Å; F488-I563 HydrophobicContact CE2-CG2 3.93Å; F488-I563 HydrophobicContact CZ-CG2 3.96Å |
| 489 | S | 58.8 | Low | 67.7 | Low | 83 Ų | 83 | 79.1 Ų | 79.1 | 58% | 0.58 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -66.5 | -40.6 | -178 | -156.2 | 0 | 0 | 0 | 0 | 112.1 | D487 T491 A492 M493 | D487-S489 PolarHBondContact O-N 2.87Å; S489-T491 VanDerWaalsContact C-N 3.33Å; S489-T491 PolarHBondContact O-N 3.37Å; S489-A492 PolarHBondContact O-N 3.16Å; S489-M493 PolarHBondContact O-N 3.04Å |
| 490 | N | 63.1 | Low | 68 | Low | 72 Ų | 72 | 78.4 Ų | 78.4 | 39% | 0.385 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -68.5 | -33.3 | 176 | -68.4 | -42.3 | 0 | 0 | 0 | 112.2 | V485 D487 F488 A492 M493 L494 | V485-N490 HydrophobicContact CG1-CB 3.67Å; V485-N490 HydrophobicContact CG2-CB 4.36Å; D487-N490 PolarHBondContact O-N 2.93Å; F488-N490 PolarHBondContact O-N 3.42Å; N490-A492 VanDerWaalsContact C-N 3.31Å; N490-A492 PolarHBondContact O-N 2.97Å; N490-M493 PolarHBondContact O-N 3.34Å; N490-L494 PolarHBondContact O-N 2.91Å; N490-L494 VanDerWaalsContact O-N 3.16Å |
| 491 | T | 65 | Low | 68.6 | Low | 12 Ų | 12 | 72.7 Ų | 72.7 | 7% | 0.074 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.3 | -40.6 | 175.1 | -55.5 | 0 | 0 | 0 | 0 | 111.3 | V485 D487 F488 S489 L495 L559 I563 | V485-T491 WeakPolarHBondContact CG1-OG1 3.16Å; D487-T491 PolarHBondContact O-N 3.46Å; D487-T491 VanDerWaalsContact O-N 3.11Å; D487-T491 PolarHBondContact O-OG1 3.35Å; F488-T491 WeakPolarHBondContact O-CB 3.45Å; F488-T491 PolarHBondContact O-N 3.11Å; S489-T491 VanDerWaalsContact C-N 3.33Å; S489-T491 PolarHBondContact O-N 3.37Å; T491-L495 PolarHBondContact O-N 3.34Å; T491-L559 HydrophobicContact CG2-CB 4.27Å; T491-L559 HydrophobicContact CG2-CD2 3.94Å; T491-I563 HydrophobicContact CG2-CD1 4Å; T491-I563 HydrophobicContact CG2-CG1 4.02Å |
| 492 | A | 65.3 | Low | 69.5 | Low | 47 Ų | 47 | 70.9 Ų | 70.9 | 39% | 0.388 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -70.3 | -44.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | F488 S489 N490 L494 L495 Q496 | F488-A492 PolarHBondContact O-N 3.22Å; S489-A492 PolarHBondContact O-N 3.16Å; N490-A492 VanDerWaalsContact C-N 3.31Å; N490-A492 PolarHBondContact O-N 2.97Å; A492-L494 VanDerWaalsContact C-N 3.34Å; A492-L494 PolarHBondContact O-N 3.38Å; A492-L495 WeakPolarHBondContact O-CB 3.45Å; A492-L495 PolarHBondContact O-N 3.21Å; A492-Q496 PolarHBondContact O-N 3.5Å |
| 493 | M | 72.8 | Confident | 70.5 | Confident | 119 Ų | 119 | 78 Ų | 78 | 59% | 0.586 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -64.6 | -37.3 | 178.4 | -69.3 | -157.2 | -60 | 0 | 0 | 112.7 | S489 N490 L495 Q496 K497 | S489-M493 PolarHBondContact O-N 3.04Å; N490-M493 PolarHBondContact O-N 3.34Å; M493-L495 VanDerWaalsContact C-N 3.32Å; M493-L495 PolarHBondContact O-N 2.88Å; M493-Q496 PolarHBondContact O-N 3.18Å; M493-K497 PolarHBondContact O-N 3.01Å; M493-K497 VanDerWaalsContact O-N 3.08Å |
| 494 | L | 75.1 | Confident | 71.5 | Confident | 21 Ų | 21 | 76.6 Ų | 76.6 | 11% | 0.11 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.3 | -40.9 | 173.5 | -80.1 | 169.7 | 0 | 0 | 0 | 111.8 | A481 V485 N490 A492 Q496 K497 I498 L559 | A481-L494 HydrophobicContact CB-CD2 4.38Å; V485-L494 HydrophobicContact CB-CD1 4.28Å; V485-L494 HydrophobicContact CG2-CD1 3.65Å; N490-L494 PolarHBondContact O-N 2.91Å; N490-L494 VanDerWaalsContact O-N 3.16Å; A492-L494 VanDerWaalsContact C-N 3.34Å; A492-L494 PolarHBondContact O-N 3.38Å; L494-Q496 PolarHBondContact O-N 2.87Å; L494-K497 PolarHBondContact O-N 3.34Å; L494-I498 WeakPolarHBondContact O-CB 3.48Å; L494-I498 VanDerWaalsContact O-CG1 3.28Å; L494-I498 WeakPolarHBondContact O-CG1 3.43Å; L494-I498 PolarHBondContact O-N 3.36Å; L494-L559 HydrophobicContact CB-CD1 4.32Å |
| 495 | L | 77.4 | Confident | 72.8 | Confident | 26 Ų | 26 | 69.5 Ų | 69.5 | 14% | 0.136 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.3 | -46.3 | 177.1 | -163 | 82.7 | 0 | 0 | 0 | 111.5 | T491 A492 M493 K497 I498 Q499 K556 L559 E560 | T491-L495 PolarHBondContact O-N 3.34Å; A492-L495 WeakPolarHBondContact O-CB 3.45Å; A492-L495 PolarHBondContact O-N 3.21Å; M493-L495 VanDerWaalsContact C-N 3.32Å; M493-L495 PolarHBondContact O-N 2.88Å; L495-K497 PolarHBondContact O-N 2.98Å; L495-I498 PolarHBondContact O-N 2.9Å; L495-Q499 VanDerWaalsContact O-CG 3.32Å; L495-Q499 WeakPolarHBondContact O-CG 3.47Å; L495-Q499 PolarHBondContact O-N 3.48Å; L495-K556 HydrophobicContact CD1-CB 4.43Å; L495-K556 HydrophobicContact CD1-CG 3.66Å; L495-L559 HydrophobicContact CD1-CB 4.06Å; L495-L559 HydrophobicContact CD1-CD1 4.44Å; L495-E560 HydrophobicContact CD1-CG 3.67Å; L495-E560 HydrophobicContact CD2-CG 4.1Å |
| 496 | Q | 78.7 | Confident | 74.1 | Confident | 144 Ų | 144 | 70.5 Ų | 70.5 | 67% | 0.673 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63.2 | -41.6 | 178.4 | -168.4 | 179.9 | 17.8 | 0 | 0 | 111.9 | A492 M493 L494 Q499 G500 | A492-Q496 PolarHBondContact O-N 3.5Å; M493-Q496 PolarHBondContact O-N 3.18Å; L494-Q496 PolarHBondContact O-N 2.87Å; Q496-Q499 PolarHBondContact O-N 2.72Å; Q496-G500 PolarHBondContact O-N 3.43Å; Q496-G500 VanDerWaalsContact O-N 3.12Å |
| 497 | K | 78.3 | Confident | 75.3 | Confident | 121 Ų | 121 | 67.8 Ų | 67.8 | 53% | 0.526 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.7 | -35.8 | 177.8 | -164.1 | 174.8 | 178.1 | -172.3 | 0 | 112.4 | V478 M493 L494 L495 L501 | V478-K497 HydrophobicContact CG2-CD 3.62Å; V478-K497 VanDerWaalsContact CG2-CE 3.43Å; V478-K497 HydrophobicContact CG2-CG 3.95Å; M493-K497 PolarHBondContact O-N 3.01Å; M493-K497 VanDerWaalsContact O-N 3.08Å; L494-K497 PolarHBondContact O-N 3.34Å; L495-K497 PolarHBondContact O-N 2.98Å; K497-L501 PolarHBondContact O-N 2.91Å |
| 498 | I | 81.4 | Confident | 76.6 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 172.4 | -72.2 | 167.1 | 0 | 0 | 0 | 111 | V478 L494 L495 G500 L501 L502 L552 R555 K556 L559 | V478-I498 HydrophobicContact CG1-CD1 4.35Å; V478-I498 HydrophobicContact CG1-CG1 3.58Å; L494-I498 WeakPolarHBondContact O-CB 3.48Å; L494-I498 VanDerWaalsContact O-CG1 3.28Å; L494-I498 WeakPolarHBondContact O-CG1 3.43Å; L494-I498 PolarHBondContact O-N 3.36Å; L495-I498 PolarHBondContact O-N 2.9Å; I498-G500 PolarHBondContact O-N 2.82Å; I498-L501 PolarHBondContact O-N 3.25Å; I498-L502 HydrophobicContact CG2-CD1 4.02Å; I498-L502 WeakPolarHBondContact O-CG 3.42Å; I498-L502 PolarHBondContact O-N 3.36Å; I498-L552 HydrophobicContact CB-CD2 4.42Å; I498-L552 HydrophobicContact CG1-CD2 4.02Å; I498-L552 HydrophobicContact CG2-CB 4.25Å; I498-L552 HydrophobicContact CG2-CD2 4.06Å; I498-R555 HydrophobicContact CD1-CB 4.47Å; I498-R555 HydrophobicContact CD1-CG 4.21Å; I498-K556 HydrophobicContact CG2-CB 3.97Å; I498-L559 HydrophobicContact CD1-CD1 3.81Å |
| 499 | Q | 82 | Confident | 77.8 | Confident | 86 Ų | 86 | 60.8 Ų | 60.8 | 40% | 0.402 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 178 | -72.5 | 172.6 | 8.7 | 0 | 0 | 112.4 | L495 Q496 L502 Q503 | L495-Q499 VanDerWaalsContact O-CG 3.32Å; L495-Q499 WeakPolarHBondContact O-CG 3.47Å; L495-Q499 PolarHBondContact O-N 3.48Å; Q496-Q499 PolarHBondContact O-N 2.72Å; Q499-L502 PolarHBondContact O-N 3.06Å; Q499-Q503 PolarHBondContact O-N 3.36Å; Q499-Q503 VanDerWaalsContact O-N 3.13Å |
| 500 | G | 82.8 | Confident | 78.9 | Confident | 31 Ų | 31 | 63.5 Ų | 63.5 | 32% | 0.32 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.6 | -42.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q496 I498 L502 Q503 N504 | Q496-G500 PolarHBondContact O-N 3.43Å; Q496-G500 VanDerWaalsContact O-N 3.12Å; I498-G500 PolarHBondContact O-N 2.82Å; G500-L502 VanDerWaalsContact C-N 3.32Å; G500-L502 PolarHBondContact O-N 2.76Å; G500-Q503 PolarHBondContact O-N 2.95Å; G500-N504 PolarHBondContact O-N 3.33Å; G500-N504 VanDerWaalsContact O-N 3.11Å; G500-N504 PolarHBondContact O-OD1 2.86Å; G500-N504 VanDerWaalsContact O-OD1 3.14Å |
| 501 | L | 85 | Confident | 79.8 | Confident | 18 Ų | 18 | 65.6 Ų | 65.6 | 9% | 0.094 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.5 | -33 | 176.4 | -72.8 | 173.1 | 0 | 0 | 0 | 113.1 | W471 V475 V478 K497 I498 S505 L552 | W471-L501 PolarHBondContact NE1-O 3.3Å; V475-L501 HydrophobicContact CG2-CD1 4.5Å; V478-L501 HydrophobicContact CB-CD1 3.91Å; V478-L501 HydrophobicContact CG1-CD1 4.27Å; V478-L501 HydrophobicContact CG2-CD1 3.66Å; K497-L501 PolarHBondContact O-N 2.91Å; I498-L501 PolarHBondContact O-N 3.25Å; L501-S505 WeakPolarHBondContact O-CB 3.33Å; L501-S505 PolarHBondContact O-N 3.11Å; L501-S505 VanDerWaalsContact O-N 3.13Å; L501-L552 HydrophobicContact CB-CD1 3.88Å |
| 502 | L | 84.1 | Confident | 80.7 | Confident | 24 Ų | 24 | 65 Ų | 65 | 13% | 0.126 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.9 | -36.1 | 173.3 | -73.2 | 168 | 0 | 0 | 0 | 112.1 | I498 Q499 G500 S505 L552 | I498-L502 HydrophobicContact CG2-CD1 4.02Å; I498-L502 WeakPolarHBondContact O-CG 3.42Å; I498-L502 PolarHBondContact O-N 3.36Å; Q499-L502 PolarHBondContact O-N 3.06Å; G500-L502 VanDerWaalsContact C-N 3.32Å; G500-L502 PolarHBondContact O-N 2.76Å; L502-S505 VanDerWaalsContact O-CB 3.3Å; L502-S505 WeakPolarHBondContact O-CB 3.42Å; L502-S505 PolarHBondContact O-N 3.18Å; L502-L552 HydrophobicContact CD2-CB 3.7Å; L502-L552 HydrophobicContact CD2-CD1 4.25Å; L502-L552 HydrophobicContact CG-CB 4.07Å; L502-L552 HydrophobicContact CG-CD1 4.41Å |
| 503 | Q | 83.9 | Confident | 81.4 | Confident | 150 Ų | 150 | 65.1 Ų | 65.1 | 70% | 0.701 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -66.5 | -50.2 | 175.5 | -174.7 | 171.5 | -5.3 | 0 | 0 | 111.7 | Q499 G500 S505 A506 | Q499-Q503 PolarHBondContact O-N 3.36Å; Q499-Q503 VanDerWaalsContact O-N 3.13Å; G500-Q503 PolarHBondContact O-N 2.95Å; Q503-S505 PolarHBondContact O-N 3.25Å; Q503-S505 VanDerWaalsContact O-N 3.15Å; Q503-A506 WeakPolarHBondContact O-CB 3.39Å; Q503-A506 PolarHBondContact O-N 2.82Å |
| 504 | N | 83.6 | Confident | 81.9 | Confident | 82 Ų | 82 | 64.5 Ų | 64.5 | 44% | 0.439 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.9 | -28 | 176.7 | -64.7 | 23.9 | 0 | 0 | 0 | 112.2 | G500 A506 L508 | G500-N504 PolarHBondContact O-N 3.33Å; G500-N504 VanDerWaalsContact O-N 3.11Å; G500-N504 PolarHBondContact O-OD1 2.86Å; G500-N504 VanDerWaalsContact O-OD1 3.14Å; N504-A506 VanDerWaalsContact C-N 3.29Å; N504-A506 PolarHBondContact O-N 2.82Å; N504-L508 WeakPolarHBondContact O-CB 3.45Å; N504-L508 WeakPolarHBondContact O-CG 3.29Å; N504-L508 PolarHBondContact O-N 2.69Å; N504-L508 VanDerWaalsContact O-N 3.09Å |
| 505 | S | 84.9 | Confident | 82.2 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.5 | -27.3 | 175.3 | -160.1 | 0 | 0 | 0 | 0 | 113.4 | W471 L501 L502 Q503 Q509 R545 H549 | W471-S505 WeakPolarHBondContact CH2-OG 3.37Å; W471-S505 WeakPolarHBondContact CZ2-OG 3.46Å; L501-S505 WeakPolarHBondContact O-CB 3.33Å; L501-S505 PolarHBondContact O-N 3.11Å; L501-S505 VanDerWaalsContact O-N 3.13Å; L502-S505 VanDerWaalsContact O-CB 3.3Å; L502-S505 WeakPolarHBondContact O-CB 3.42Å; L502-S505 PolarHBondContact O-N 3.18Å; Q503-S505 PolarHBondContact O-N 3.25Å; Q503-S505 VanDerWaalsContact O-N 3.15Å; S505-Q509 PolarHBondContact O-N 2.72Å; S505-R545 WeakPolarHBondContact O-CD 3.47Å; S505-R545 PolarHBondContact OG-NH1 2.81Å; S505-H549 VanDerWaalsContact CB-ND1 3.28Å; S505-H549 WeakPolarHBondContact CB-ND1 3.41Å; S505-H549 PolarHBondContact OG-ND1 3.47Å |
| 506 | A | 82.1 | Confident | 82.3 | Confident | 59 Ų | 59 | 66 Ų | 66 | 49% | 0.488 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -76.3 | -45.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q503 N504 L508 Q509 E510 | Q503-A506 WeakPolarHBondContact O-CB 3.39Å; Q503-A506 PolarHBondContact O-N 2.82Å; N504-A506 VanDerWaalsContact C-N 3.29Å; N504-A506 PolarHBondContact O-N 2.82Å; A506-L508 VanDerWaalsContact C-N 3.28Å; A506-L508 PolarHBondContact O-N 2.86Å; A506-Q509 WeakPolarHBondContact O-CB 3.36Å; A506-Q509 PolarHBondContact O-N 2.8Å; A506-E510 PolarHBondContact O-N 3.26Å; A506-E510 VanDerWaalsContact O-N 3.09Å |
| 507 | E | 81.8 | Confident | 82.4 | Confident | 114 Ų | 114 | 65.2 Ų | 65.2 | 53% | 0.533 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.9 | -38.8 | 175 | -173 | -177.7 | 170.9 | 0 | 0 | 111.8 | E510 R511 | E507-E510 PolarHBondContact O-N 2.96Å; E507-R511 PolarHBondContact O-N 3.42Å |
| 508 | L | 84.6 | Confident | 82.4 | Confident | 14 Ų | 14 | 61.7 Ų | 61.7 | 7% | 0.073 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.6 | -38.7 | 172.5 | -76.1 | 168.3 | 0 | 0 | 0 | 112.9 | N467 W471 N504 A506 E510 L512 | N467-L508 HydrophobicContact CB-CD2 3.89Å; W471-L508 HydrophobicContact CB-CD1 3.38Å; W471-L508 HydrophobicContact CD2-CD1 3.87Å; W471-L508 HydrophobicContact CE3-CD1 4.4Å; W471-L508 HydrophobicContact CG-CD1 3.39Å; N504-L508 WeakPolarHBondContact O-CB 3.45Å; N504-L508 WeakPolarHBondContact O-CG 3.29Å; N504-L508 PolarHBondContact O-N 2.69Å; N504-L508 VanDerWaalsContact O-N 3.09Å; A506-L508 VanDerWaalsContact C-N 3.28Å; A506-L508 PolarHBondContact O-N 2.86Å; L508-E510 VanDerWaalsContact C-N 3.32Å; L508-E510 PolarHBondContact O-N 3.43Å; L508-L512 VanDerWaalsContact O-CB 3.28Å; L508-L512 WeakPolarHBondContact O-CB 3.45Å; L508-L512 WeakPolarHBondContact O-CD1 3.41Å; L508-L512 WeakPolarHBondContact O-CG 3.44Å; L508-L512 PolarHBondContact O-N 3.44Å |
| 509 | Q | 84.1 | Confident | 82.1 | Confident | 54 Ų | 54 | 62.7 Ų | 62.7 | 25% | 0.252 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 175.7 | -178.7 | 67.6 | 22 | 0 | 0 | 111.1 | S505 A506 S513 | S505-Q509 PolarHBondContact O-N 2.72Å; A506-Q509 WeakPolarHBondContact O-CB 3.36Å; A506-Q509 PolarHBondContact O-N 2.8Å; Q509-S513 VanDerWaalsContact O-CB 3.26Å; Q509-S513 WeakPolarHBondContact O-CB 3.31Å; Q509-S513 PolarHBondContact O-N 3.27Å; Q509-S513 PolarHBondContact O-OG 3.1Å |
| 510 | E | 81.7 | Confident | 81.8 | Confident | 139 Ų | 139 | 65.5 Ų | 65.5 | 65% | 0.65 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61 | -54.8 | 177.2 | -173.7 | 172.1 | -172.2 | 0 | 0 | 111.1 | A506 E507 L508 L512 S513 L514 | A506-E510 PolarHBondContact O-N 3.26Å; A506-E510 VanDerWaalsContact O-N 3.09Å; E507-E510 PolarHBondContact O-N 2.96Å; L508-E510 VanDerWaalsContact C-N 3.32Å; L508-E510 PolarHBondContact O-N 3.43Å; E510-L512 PolarHBondContact O-N 3.45Å; E510-S513 PolarHBondContact O-N 3.46Å; E510-S513 PolarHBondContact O-OG 2.81Å; E510-L514 PolarHBondContact O-N 2.77Å |
| 511 | R | 81.1 | Confident | 81.6 | Confident | 116 Ų | 116 | 64.6 Ų | 64.6 | 44% | 0.438 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -57.6 | -44 | 178 | -76.9 | 179.1 | 163.3 | -126.8 | -3 | 113.6 | D463 E507 L515 | D463-R511 IonicContact OD2-NH1 2.79Å; D463-R511 PolarHBondContact OD2-NH1 2.95Å; E507-R511 PolarHBondContact O-N 3.42Å; R511-L515 PolarHBondContact O-N 3.17Å |
| 512 | L | 83.3 | Confident | 81.1 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.7 | -38.5 | 178.5 | -66.9 | 168.5 | 0 | 0 | 0 | 111.3 | P464 L465 F468 L508 E510 L515 Q516 L538 V542 | P464-L512 HydrophobicContact CB-CD2 3.92Å; L465-L512 HydrophobicContact CD2-CD2 4.17Å; F468-L512 HydrophobicContact CB-CD1 4.39Å; L508-L512 VanDerWaalsContact O-CB 3.28Å; L508-L512 WeakPolarHBondContact O-CB 3.45Å; L508-L512 WeakPolarHBondContact O-CD1 3.41Å; L508-L512 WeakPolarHBondContact O-CG 3.44Å; L508-L512 PolarHBondContact O-N 3.44Å; E510-L512 PolarHBondContact O-N 3.45Å; L512-L515 PolarHBondContact O-N 2.97Å; L512-Q516 WeakPolarHBondContact O-CB 3.37Å; L512-Q516 PolarHBondContact O-N 3.04Å; L512-L538 HydrophobicContact CB-CD1 3.89Å; L512-L538 HydrophobicContact CD2-CD1 3.43Å; L512-L538 VanDerWaalsContact CD2-CD1 3.43Å; L512-L538 HydrophobicContact CG-CD1 4.22Å; L512-V542 HydrophobicContact CB-CG2 3.96Å; L512-V542 HydrophobicContact CD1-CG2 4.28Å |
| 513 | S | 81.6 | Confident | 80.9 | Confident | 49 Ų | 49 | 65.8 Ų | 65.8 | 34% | 0.343 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.7 | -37.5 | 177.5 | 71.8 | 0 | 0 | 0 | 0 | 113 | Q509 E510 L515 Q516 V517 | Q509-S513 VanDerWaalsContact O-CB 3.26Å; Q509-S513 WeakPolarHBondContact O-CB 3.31Å; Q509-S513 PolarHBondContact O-N 3.27Å; Q509-S513 PolarHBondContact O-OG 3.1Å; E510-S513 PolarHBondContact O-N 3.46Å; E510-S513 PolarHBondContact O-OG 2.81Å; S513-L515 VanDerWaalsContact C-N 3.35Å; S513-L515 PolarHBondContact O-N 3.07Å; S513-Q516 PolarHBondContact O-N 3.38Å; S513-V517 PolarHBondContact O-N 2.87Å |
| 514 | L | 82.6 | Confident | 80.5 | Confident | 106 Ų | 106 | 61.2 Ų | 61.2 | 56% | 0.555 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -63.4 | -40.7 | 175.2 | -179.6 | 61.9 | 0 | 0 | 0 | 111.6 | E510 K518 | E510-L514 PolarHBondContact O-N 2.77Å; L514-K518 WeakPolarHBondContact O-CG 3.5Å |
| 515 | L | 81.2 | Confident | 80.2 | Confident | 13 Ų | 13 | 57.4 Ų | 57.4 | 7% | 0.068 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.1 | -39.5 | 174.3 | -175.2 | 64.9 | 0 | 0 | 0 | 111.7 | L461 P464 R511 L512 S513 V517 K518 L522 L538 | L461-L515 HydrophobicContact CB-CD1 4.38Å; L461-L515 HydrophobicContact CD2-CD1 3.7Å; L461-L515 WeakPolarHBondContact O-CD2 3.5Å; P464-L515 HydrophobicContact CB-CD2 4.21Å; P464-L515 HydrophobicContact CG-CD2 4.12Å; R511-L515 PolarHBondContact O-N 3.17Å; L512-L515 PolarHBondContact O-N 2.97Å; S513-L515 VanDerWaalsContact C-N 3.35Å; S513-L515 PolarHBondContact O-N 3.07Å; L515-V517 PolarHBondContact O-N 3.25Å; L515-K518 WeakPolarHBondContact O-CB 3.45Å; L515-K518 PolarHBondContact O-N 2.89Å; L515-L522 HydrophobicContact CD1-CD2 4.33Å; L515-L538 HydrophobicContact CB-CD2 4.05Å; L515-L538 HydrophobicContact CD2-CD1 4.34Å; L515-L538 HydrophobicContact CD2-CD2 3.9Å; L515-L538 HydrophobicContact CG-CD2 3.81Å |
| 516 | Q | 79.6 | Confident | 79.8 | Confident | 66 Ų | 66 | 58.8 Ų | 58.8 | 31% | 0.308 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.6 | -25.6 | -176.4 | -160.9 | 174.6 | 26.7 | 0 | 0 | 113.3 | L512 S513 Q535 L538 S539 | L512-Q516 WeakPolarHBondContact O-CB 3.37Å; L512-Q516 PolarHBondContact O-N 3.04Å; S513-Q516 PolarHBondContact O-N 3.38Å; Q516-Q535 PolarHBondContact O-NE2 3.35Å; Q516-L538 HydrophobicContact CB-CD2 3.77Å; Q516-L538 HydrophobicContact CB-CG 4.36Å; Q516-L538 HydrophobicContact CG-CD2 4.16Å; Q516-L538 HydrophobicContact CG-CG 4.48Å; Q516-S539 PolarHBondContact NE2-OG 2.89Å; Q516-S539 VanDerWaalsContact NE2-OG 3.16Å |
| 517 | V | 80.9 | Confident | 79.5 | Confident | 127 Ų | 127 | 57.6 Ų | 57.6 | 77% | 0.77 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -77 | -20.3 | 173.8 | 174.9 | 0 | 0 | 0 | 0 | 112.4 | S513 L515 G519 | S513-V517 PolarHBondContact O-N 2.87Å; L515-V517 PolarHBondContact O-N 3.25Å; V517-G519 VanDerWaalsContact C-N 3.26Å; V517-G519 PolarHBondContact O-N 3.43Å; V517-G519 VanDerWaalsContact O-N 3.15Å |
| 518 | K | 77.7 | Confident | 79.1 | Confident | 48 Ų | 48 | 56.2 Ų | 56.2 | 21% | 0.209 | 31% | 0.308 | C | S | . | . | trans | -88 | 38.3 | -175.6 | -66.7 | 179.9 | 173.4 | -163.3 | 0 | 113.7 | E384 L514 L515 D520 L521 L522 | E384-K518 WeakPolarHBondContact OE1-CD 3.12Å; E384-K518 IonicContact OE1-NZ 2.76Å; E384-K518 PolarHBondContact OE1-NZ 3.36Å; E384-K518 IonicContact OE2-NZ 2.66Å; E384-K518 PolarHBondContact OE2-NZ 2.75Å; L514-K518 WeakPolarHBondContact O-CG 3.5Å; L515-K518 WeakPolarHBondContact O-CB 3.45Å; L515-K518 PolarHBondContact O-N 2.89Å; K518-D520 PolarHBondContact O-N 3.34Å; K518-L521 HydrophobicContact CB-CB 4.34Å; K518-L521 HydrophobicContact CD-CD2 4.43Å; K518-L521 WeakPolarHBondContact O-CB 3.28Å; K518-L521 PolarHBondContact O-N 2.96Å; K518-L522 PolarHBondContact O-N 3.24Å; K518-L522 VanDerWaalsContact O-N 3.15Å | ||
| 519 | G | 75 | Confident | 78.5 | Confident | 20 Ų | 20 | 63.3 Ų | 63.3 | 21% | 0.206 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -54.2 | -52.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | V517 L521 L522 D523 | V517-G519 VanDerWaalsContact C-N 3.26Å; V517-G519 PolarHBondContact O-N 3.43Å; V517-G519 VanDerWaalsContact O-N 3.15Å; G519-L521 PolarHBondContact O-N 2.9Å; G519-L521 VanDerWaalsContact O-N 3.1Å; G519-L522 WeakPolarHBondContact O-CB 3.42Å; G519-L522 PolarHBondContact O-N 2.97Å; G519-D523 PolarHBondContact O-N 3.15Å |
| 520 | D | 75.9 | Confident | 78 | Confident | 145 Ų | 145 | 63.9 Ų | 63.9 | 78% | 0.775 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -55.4 | -32.3 | 179.6 | -57.6 | -3.6 | 0 | 0 | 0 | 113.3 | K518 S524 | K518-D520 PolarHBondContact O-N 3.34Å; D520-S524 WeakPolarHBondContact O-CB 3.4Å; D520-S524 PolarHBondContact O-N 3.41Å; D520-S524 VanDerWaalsContact O-N 3.13Å; D520-S524 PolarHBondContact O-OG 3.36Å |
| 521 | L | 78.1 | Confident | 77.8 | Confident | 13 Ų | 13 | 57.4 Ų | 57.4 | 7% | 0.068 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -73.1 | -46.5 | 176.6 | 176.6 | 55.6 | 0 | 0 | 0 | 110.9 | E388 L457 L461 K518 G519 D523 S524 V525 | E388-L521 HydrophobicContact CB-CD1 4.49Å; E388-L521 VanDerWaalsContact CD-CD1 3.48Å; E388-L521 HydrophobicContact CG-CD1 3.63Å; L457-L521 HydrophobicContact CD2-CD1 4.42Å; L461-L521 HydrophobicContact CD1-CD2 4.4Å; L461-L521 HydrophobicContact CD1-CG 4.2Å; L461-L521 HydrophobicContact CD2-CD2 4.05Å; K518-L521 HydrophobicContact CB-CB 4.34Å; K518-L521 HydrophobicContact CD-CD2 4.43Å; K518-L521 WeakPolarHBondContact O-CB 3.28Å; K518-L521 PolarHBondContact O-N 2.96Å; G519-L521 PolarHBondContact O-N 2.9Å; G519-L521 VanDerWaalsContact O-N 3.1Å; L521-D523 VanDerWaalsContact C-N 3.33Å; L521-D523 PolarHBondContact O-N 2.87Å; L521-S524 PolarHBondContact O-N 3.45Å; L521-S524 PolarHBondContact O-OG 3.03Å; L521-V525 HydrophobicContact CD1-CG2 3.74Å; L521-V525 WeakPolarHBondContact O-CB 3.37Å; L521-V525 WeakPolarHBondContact O-CG2 3.3Å; L521-V525 PolarHBondContact O-N 3.41Å |
| 522 | L | 75.6 | Confident | 77.7 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.7 | -44.1 | 175.1 | -65.6 | 170.7 | 0 | 0 | 0 | 111.2 | L461 L515 K518 G519 S524 V525 F526 S531 | L461-L522 HydrophobicContact CB-CD2 4.21Å; L461-L522 HydrophobicContact CD1-CD2 4.27Å; L461-L522 HydrophobicContact CD2-CD2 4.45Å; L515-L522 HydrophobicContact CD1-CD2 4.33Å; K518-L522 PolarHBondContact O-N 3.24Å; K518-L522 VanDerWaalsContact O-N 3.15Å; G519-L522 WeakPolarHBondContact O-CB 3.42Å; G519-L522 PolarHBondContact O-N 2.97Å; L522-S524 VanDerWaalsContact C-N 3.35Å; L522-S524 PolarHBondContact O-N 3.09Å; L522-V525 PolarHBondContact O-N 3.32Å; L522-F526 HydrophobicContact CD2-CD2 3.94Å; L522-F526 HydrophobicContact CD2-CE2 3.77Å; L522-F526 WeakPolarHBondContact O-CB 3.24Å; L522-F526 PolarHBondContact O-N 2.76Å; L522-S531 VanDerWaalsContact CB-OG 3.27Å; L522-S531 WeakPolarHBondContact CB-OG 3.36Å |
| 523 | D | 78.6 | Confident | 77.5 | Confident | 63 Ų | 63 | 63 Ų | 63 | 34% | 0.337 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.7 | -44.6 | 175.1 | -78.2 | 2 | 0 | 0 | 0 | 111.9 | G519 L521 G527 T528 S531 | G519-D523 PolarHBondContact O-N 3.15Å; L521-D523 VanDerWaalsContact C-N 3.33Å; L521-D523 PolarHBondContact O-N 2.87Å; D523-G527 WeakPolarHBondContact O-CA 3.4Å; D523-G527 PolarHBondContact O-N 3.06Å; D523-T528 HydrophobicContact CB-CG2 4.47Å; D523-S531 PolarHBondContact N-OG 3.42Å; D523-S531 WeakPolarHBondContact OD1-CB 3.3Å; D523-S531 PolarHBondContact OD1-OG 2.88Å |
| 524 | S | 77.5 | Confident | 77.4 | Confident | 53 Ų | 53 | 61.1 Ų | 61.1 | 37% | 0.371 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -69.7 | -34 | -179 | 76.1 | 0 | 0 | 0 | 0 | 113.4 | W391 D520 L521 L522 | W391-S524 VanDerWaalsContact CH2-O 3.23Å; W391-S524 WeakPolarHBondContact CH2-O 3.44Å; D520-S524 WeakPolarHBondContact O-CB 3.4Å; D520-S524 PolarHBondContact O-N 3.41Å; D520-S524 VanDerWaalsContact O-N 3.13Å; D520-S524 PolarHBondContact O-OG 3.36Å; L521-S524 PolarHBondContact O-N 3.45Å; L521-S524 PolarHBondContact O-OG 3.03Å; L522-S524 VanDerWaalsContact C-N 3.35Å; L522-S524 PolarHBondContact O-N 3.09Å |
| 525 | V | 77.3 | Confident | 77.3 | Confident | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.012 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -95.9 | -33.7 | -172.2 | 172.5 | 0 | 0 | 0 | 0 | 112.8 | W391 L457 R458 L461 L521 L522 | W391-V525 HydrophobicContact CE3-CG2 4.23Å; W391-V525 HydrophobicContact CH2-CG2 4.08Å; W391-V525 HydrophobicContact CZ2-CG2 4.44Å; W391-V525 HydrophobicContact CZ3-CG2 3.97Å; L457-V525 HydrophobicContact CD2-CG1 4.48Å; L457-V525 HydrophobicContact CD2-CG2 3.61Å; L457-V525 HydrophobicContact CG-CG1 4.4Å; L457-V525 HydrophobicContact CG-CG2 4.24Å; R458-V525 HydrophobicContact CG-CG1 3.51Å; R458-V525 PolarHBondContact NE-O 2.84Å; R458-V525 PolarHBondContact NH2-O 3.18Å; L461-V525 HydrophobicContact CD1-CG1 4.3Å; L521-V525 HydrophobicContact CD1-CG2 3.74Å; L521-V525 WeakPolarHBondContact O-CB 3.37Å; L521-V525 WeakPolarHBondContact O-CG2 3.3Å; L521-V525 PolarHBondContact O-N 3.41Å; L522-V525 PolarHBondContact O-N 3.32Å |
| 526 | F | 76.4 | Confident | 77.3 | Confident | 29 Ų | 29 | 59.5 Ų | 59.5 | 13% | 0.127 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -102.8 | -19.5 | 178.2 | -66.5 | -88.5 | 0 | 0 | 0 | 113.3 | R458 L461 L522 L534 | R458-F526 HydrophobicContact CB-CE1 3.89Å; R458-F526 HydrophobicContact CB-CZ 3.78Å; R458-F526 HydrophobicContact CG-CD1 4.03Å; R458-F526 HydrophobicContact CG-CE1 3.52Å; R458-F526 HydrophobicContact CG-CE2 4.16Å; R458-F526 HydrophobicContact CG-CZ 3.6Å; L461-F526 HydrophobicContact CB-CE2 4.06Å; L461-F526 HydrophobicContact CB-CZ 4.39Å; L461-F526 HydrophobicContact CD1-CE2 4.01Å; L522-F526 HydrophobicContact CD2-CD2 3.94Å; L522-F526 HydrophobicContact CD2-CE2 3.77Å; L522-F526 WeakPolarHBondContact O-CB 3.24Å; L522-F526 PolarHBondContact O-N 2.76Å; F526-L534 HydrophobicContact CB-CD1 4.37Å; F526-L534 HydrophobicContact CD1-CD1 3.59Å; F526-L534 HydrophobicContact CD2-CD1 3.79Å; F526-L534 HydrophobicContact CE1-CD1 3.65Å; F526-L534 HydrophobicContact CE2-CD1 3.86Å; F526-L534 HydrophobicContact CG-CD1 3.65Å; F526-L534 HydrophobicContact CZ-CD1 3.77Å |
| 527 | G | 75.6 | Confident | 77.5 | Confident | 34 Ų | 34 | 61.9 Ų | 61.9 | 35% | 0.351 | 36% | 0.355 | S | S | . | . | trans | 82.2 | 146 | -168.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | D523 E529 S530 S531 | D523-G527 WeakPolarHBondContact O-CA 3.4Å; D523-G527 PolarHBondContact O-N 3.06Å; G527-E529 PolarHBondContact O-N 3.21Å; G527-S530 PolarHBondContact O-N 2.93Å; G527-S530 VanDerWaalsContact O-N 3.14Å; G527-S531 WeakPolarHBondContact O-CB 3.44Å; G527-S531 PolarHBondContact O-N 2.96Å | ||
| 528 | T | 73.6 | Confident | 77.6 | Confident | 86 Ų | 86 | 55.9 Ų | 55.9 | 53% | 0.528 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -53.4 | -46.5 | -166.8 | 55.2 | 0 | 0 | 0 | 0 | 113.9 | D523 S530 S531 D532 | D523-T528 HydrophobicContact CB-CG2 4.47Å; T528-S530 PolarHBondContact O-N 2.66Å; T528-S531 WeakPolarHBondContact O-CB 3.33Å; T528-S531 PolarHBondContact O-N 2.74Å; T528-D532 PolarHBondContact O-N 3.18Å |
| 529 | E | 71.6 | Confident | 77.9 | Confident | 163 Ų | 163 | 55.4 Ų | 55.4 | 76% | 0.762 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.9 | -43.3 | -178.9 | -62.9 | -176.5 | 154.4 | 0 | 0 | 112.5 | G527 D533 | G527-E529 PolarHBondContact O-N 3.21Å; E529-D533 PolarHBondContact O-N 3.25Å |
| 530 | S | 72.5 | Confident | 78.3 | Confident | 65 Ų | 65 | 56 Ų | 56 | 46% | 0.455 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -80 | -17.9 | 177.8 | -64.3 | 0 | 0 | 0 | 0 | 113.5 | G527 T528 L534 | G527-S530 PolarHBondContact O-N 2.93Å; G527-S530 VanDerWaalsContact O-N 3.14Å; T528-S530 PolarHBondContact O-N 2.66Å; S530-L534 WeakPolarHBondContact O-CB 3.41Å; S530-L534 PolarHBondContact O-N 3.34Å |
| 531 | S | 79.1 | Confident | 78.6 | Confident | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -75.2 | -45.9 | 170.8 | -177.3 | 0 | 0 | 0 | 0 | 110.9 | L522 D523 G527 T528 D533 L534 Q535 | L522-S531 VanDerWaalsContact CB-OG 3.27Å; L522-S531 WeakPolarHBondContact CB-OG 3.36Å; D523-S531 PolarHBondContact N-OG 3.42Å; D523-S531 WeakPolarHBondContact OD1-CB 3.3Å; D523-S531 PolarHBondContact OD1-OG 2.88Å; G527-S531 WeakPolarHBondContact O-CB 3.44Å; G527-S531 PolarHBondContact O-N 2.96Å; T528-S531 WeakPolarHBondContact O-CB 3.33Å; T528-S531 PolarHBondContact O-N 2.74Å; S531-D533 VanDerWaalsContact C-N 3.33Å; S531-D533 PolarHBondContact O-N 2.81Å; S531-L534 PolarHBondContact O-N 3.34Å; S531-L534 VanDerWaalsContact O-N 3.16Å; S531-Q535 VanDerWaalsContact O-CB 3.28Å; S531-Q535 WeakPolarHBondContact O-CB 3.23Å; S531-Q535 PolarHBondContact O-N 2.8Å |
| 532 | D | 77.6 | Confident | 79 | Confident | 116 Ų | 116 | 49.3 Ų | 49.3 | 62% | 0.62 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -56.6 | -44.8 | 173.3 | -83 | -39.2 | 0 | 0 | 0 | 111.5 | T528 Q535 G536 | T528-D532 PolarHBondContact O-N 3.18Å; D532-Q535 PolarHBondContact O-N 3.22Å; D532-G536 PolarHBondContact O-N 3.47Å |
| 533 | D | 79.8 | Confident | 79.4 | Confident | 117 Ų | 117 | 56.6 Ų | 56.6 | 63% | 0.626 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -59.8 | -48.6 | 173.8 | -81.9 | -25.7 | 0 | 0 | 0 | 111.9 | E529 S531 Q535 G536 E537 | E529-D533 PolarHBondContact O-N 3.25Å; S531-D533 VanDerWaalsContact C-N 3.33Å; S531-D533 PolarHBondContact O-N 2.81Å; D533-Q535 PolarHBondContact O-N 3.33Å; D533-G536 CarbonylContact O-C 3.57Å; D533-G536 WeakPolarHBondContact O-CA 3.49Å; D533-G536 PolarHBondContact O-N 2.86Å; D533-E537 PolarHBondContact O-N 2.87Å |
| 534 | L | 79 | Confident | 79.6 | Confident | 10 Ų | 10 | 56.6 Ų | 56.6 | 5% | 0.052 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63 | -39.9 | 177.9 | -96.8 | 163.2 | 0 | 0 | 0 | 112.8 | L465 F526 S530 S531 G536 E537 L538 | L465-L534 HydrophobicContact CD1-CD2 3.69Å; F526-L534 HydrophobicContact CB-CD1 4.37Å; F526-L534 HydrophobicContact CD1-CD1 3.59Å; F526-L534 HydrophobicContact CD2-CD1 3.79Å; F526-L534 HydrophobicContact CE1-CD1 3.65Å; F526-L534 HydrophobicContact CE2-CD1 3.86Å; F526-L534 HydrophobicContact CG-CD1 3.65Å; F526-L534 HydrophobicContact CZ-CD1 3.77Å; S530-L534 WeakPolarHBondContact O-CB 3.41Å; S530-L534 PolarHBondContact O-N 3.34Å; S531-L534 PolarHBondContact O-N 3.34Å; S531-L534 VanDerWaalsContact O-N 3.16Å; L534-G536 VanDerWaalsContact C-N 3.3Å; L534-E537 PolarHBondContact O-N 3.36Å; L534-L538 VanDerWaalsContact O-CB 3.29Å; L534-L538 WeakPolarHBondContact O-CB 3.46Å; L534-L538 PolarHBondContact O-N 3.22Å |
| 535 | Q | 80.7 | Confident | 80.1 | Confident | 49 Ų | 49 | 55 Ų | 55 | 23% | 0.229 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -71 | -30.5 | 177.3 | -169.7 | 71.9 | -34 | 0 | 0 | 110.6 | Q516 S531 D532 D533 S539 | Q516-Q535 PolarHBondContact O-NE2 3.35Å; S531-Q535 VanDerWaalsContact O-CB 3.28Å; S531-Q535 WeakPolarHBondContact O-CB 3.23Å; S531-Q535 PolarHBondContact O-N 2.8Å; D532-Q535 PolarHBondContact O-N 3.22Å; D533-Q535 PolarHBondContact O-N 3.33Å; Q535-S539 WeakPolarHBondContact O-CB 3.31Å; Q535-S539 PolarHBondContact O-N 3.42Å; Q535-S539 PolarHBondContact O-OG 3.12Å |
| 536 | G | 82.1 | Confident | 80.5 | Confident | 37 Ų | 37 | 58.8 Ų | 58.8 | 38% | 0.381 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.5 | -48.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113 | D532 D533 L534 S539 A540 | D532-G536 PolarHBondContact O-N 3.47Å; D533-G536 CarbonylContact O-C 3.57Å; D533-G536 WeakPolarHBondContact O-CA 3.49Å; D533-G536 PolarHBondContact O-N 2.86Å; L534-G536 VanDerWaalsContact C-N 3.3Å; G536-S539 PolarHBondContact O-N 3.27Å; G536-A540 WeakPolarHBondContact O-CB 3.29Å; G536-A540 PolarHBondContact O-N 3.41Å |
| 537 | E | 83.1 | Confident | 81 | Confident | 115 Ų | 115 | 62 Ų | 62 | 54% | 0.537 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.7 | -47.1 | 173.1 | -76 | -170.4 | 176.9 | 0 | 0 | 111.4 | D533 L534 S539 A540 A541 | D533-E537 PolarHBondContact O-N 2.87Å; L534-E537 PolarHBondContact O-N 3.36Å; E537-S539 PolarHBondContact O-N 3.49Å; E537-A540 CarbonylContact O-C 3.59Å; E537-A540 WeakPolarHBondContact O-CA 3.48Å; E537-A540 WeakPolarHBondContact O-CB 3.4Å; E537-A540 PolarHBondContact O-N 3.01Å; E537-A540 VanDerWaalsContact O-N 3.1Å; E537-A541 WeakPolarHBondContact O-CB 3.36Å; E537-A541 PolarHBondContact O-N 2.94Å |
| 538 | L | 83.7 | Confident | 81.4 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 177.2 | -178.8 | 55.3 | 0 | 0 | 0 | 111.8 | L465 L512 L515 Q516 L534 A540 A541 V542 | L465-L538 HydrophobicContact CD2-CB 4.22Å; L465-L538 HydrophobicContact CD2-CD1 3.87Å; L512-L538 HydrophobicContact CB-CD1 3.89Å; L512-L538 HydrophobicContact CD2-CD1 3.43Å; L512-L538 VanDerWaalsContact CD2-CD1 3.43Å; L512-L538 HydrophobicContact CG-CD1 4.22Å; L515-L538 HydrophobicContact CB-CD2 4.05Å; L515-L538 HydrophobicContact CD2-CD1 4.34Å; L515-L538 HydrophobicContact CD2-CD2 3.9Å; L515-L538 HydrophobicContact CG-CD2 3.81Å; Q516-L538 HydrophobicContact CB-CD2 3.77Å; Q516-L538 HydrophobicContact CB-CG 4.36Å; Q516-L538 HydrophobicContact CG-CD2 4.16Å; Q516-L538 HydrophobicContact CG-CG 4.48Å; L534-L538 VanDerWaalsContact O-CB 3.29Å; L534-L538 WeakPolarHBondContact O-CB 3.46Å; L534-L538 PolarHBondContact O-N 3.22Å; L538-A540 PolarHBondContact O-N 3.36Å; L538-A541 PolarHBondContact O-N 3.08Å; L538-V542 WeakPolarHBondContact O-CG2 3.46Å; L538-V542 PolarHBondContact O-N 3.18Å |
| 539 | S | 82.5 | Confident | 82.1 | Confident | 37 Ų | 37 | 59.7 Ų | 59.7 | 26% | 0.259 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.1 | -24.6 | 175.6 | -59.3 | 0 | 0 | 0 | 0 | 112.6 | Q516 Q535 G536 E537 R543 | Q516-S539 PolarHBondContact NE2-OG 2.89Å; Q516-S539 VanDerWaalsContact NE2-OG 3.16Å; Q535-S539 WeakPolarHBondContact O-CB 3.31Å; Q535-S539 PolarHBondContact O-N 3.42Å; Q535-S539 PolarHBondContact O-OG 3.12Å; G536-S539 PolarHBondContact O-N 3.27Å; E537-S539 PolarHBondContact O-N 3.49Å; S539-R543 WeakPolarHBondContact O-CG 3.38Å; S539-R543 PolarHBondContact O-NE 3.48Å; S539-R543 PolarHBondContact O-NH2 2.95Å |
| 540 | A | 83.9 | Confident | 82.7 | Confident | 34 Ų | 34 | 56.5 Ų | 56.5 | 28% | 0.281 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -78.8 | -39.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G536 E537 L538 R543 T544 | G536-A540 WeakPolarHBondContact O-CB 3.29Å; G536-A540 PolarHBondContact O-N 3.41Å; E537-A540 CarbonylContact O-C 3.59Å; E537-A540 WeakPolarHBondContact O-CA 3.48Å; E537-A540 WeakPolarHBondContact O-CB 3.4Å; E537-A540 PolarHBondContact O-N 3.01Å; E537-A540 VanDerWaalsContact O-N 3.1Å; L538-A540 PolarHBondContact O-N 3.36Å; A540-R543 PolarHBondContact O-N 3.27Å; A540-T544 VanDerWaalsContact O-CB 3.31Å; A540-T544 WeakPolarHBondContact O-CB 3.44Å; A540-T544 PolarHBondContact O-N 3.24Å; A540-T544 PolarHBondContact O-OG1 2.7Å |
| 541 | A | 83.4 | Confident | 83.1 | Confident | 5 Ų | 5 | 56.9 Ų | 56.9 | 4% | 0.041 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.1 | -47.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | L465 F468 E537 L538 T544 R545 | L465-A541 HydrophobicContact CD2-CB 4.02Å; F468-A541 HydrophobicContact CD1-CB 3.58Å; F468-A541 HydrophobicContact CD2-CB 4.48Å; F468-A541 HydrophobicContact CE1-CB 3.69Å; F468-A541 WeakPolarHBondContact CE2-O 2.8Å; F468-A541 HydrophobicContact CG-CB 4.01Å; F468-A541 HydrophobicContact CZ-CB 4.21Å; E537-A541 WeakPolarHBondContact O-CB 3.36Å; E537-A541 PolarHBondContact O-N 2.94Å; L538-A541 PolarHBondContact O-N 3.08Å; A541-T544 PolarHBondContact O-N 2.94Å; A541-R545 WeakPolarHBondContact O-CB 3.39Å; A541-R545 PolarHBondContact O-N 2.76Å |
| 542 | V | 84.9 | Confident | 83.4 | Confident | 12 Ų | 12 | 56.8 Ų | 56.8 | 7% | 0.073 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.2 | -51.8 | 176.6 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | L512 L538 T544 R545 E546 | L512-V542 HydrophobicContact CB-CG2 3.96Å; L512-V542 HydrophobicContact CD1-CG2 4.28Å; L538-V542 WeakPolarHBondContact O-CG2 3.46Å; L538-V542 PolarHBondContact O-N 3.18Å; V542-T544 VanDerWaalsContact C-N 3.31Å; V542-T544 PolarHBondContact O-N 3.49Å; V542-R545 WeakPolarHBondContact O-CB 3.39Å; V542-R545 PolarHBondContact O-N 3.21Å; V542-E546 WeakPolarHBondContact O-CG 3.42Å; V542-E546 PolarHBondContact O-N 3.42Å |
| 543 | R | 84.3 | Confident | 83.7 | Confident | 156 Ų | 156 | 54.6 Ų | 54.6 | 59% | 0.589 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -60 | -38.2 | 177.2 | -73.6 | 178.2 | -70.6 | 147.1 | -2.4 | 113 | S539 A540 E546 L547 | S539-R543 WeakPolarHBondContact O-CG 3.38Å; S539-R543 PolarHBondContact O-NE 3.48Å; S539-R543 PolarHBondContact O-NH2 2.95Å; A540-R543 PolarHBondContact O-N 3.27Å; R543-E546 PolarHBondContact O-N 2.88Å; R543-L547 PolarHBondContact O-N 3.48Å; R543-L547 VanDerWaalsContact O-N 3.11Å |
| 544 | T | 83.7 | Confident | 83.7 | Confident | 63 Ų | 63 | 55.2 Ų | 55.2 | 39% | 0.387 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -72.6 | -36.2 | 178.9 | -54.5 | 0 | 0 | 0 | 0 | 111.2 | F468 A540 A541 V542 L547 L548 | F468-T544 HydrophobicContact CZ-CG2 3.98Å; A540-T544 VanDerWaalsContact O-CB 3.31Å; A540-T544 WeakPolarHBondContact O-CB 3.44Å; A540-T544 PolarHBondContact O-N 3.24Å; A540-T544 PolarHBondContact O-OG1 2.7Å; A541-T544 PolarHBondContact O-N 2.94Å; V542-T544 VanDerWaalsContact C-N 3.31Å; V542-T544 PolarHBondContact O-N 3.49Å; T544-L547 PolarHBondContact O-N 3.46Å; T544-L548 HydrophobicContact CG2-CD1 4.14Å; T544-L548 WeakPolarHBondContact O-CB 3.35Å; T544-L548 WeakPolarHBondContact O-CG 3.29Å; T544-L548 PolarHBondContact O-N 3.46Å |
| 545 | R | 88.3 | Confident | 83.7 | Confident | 20 Ų | 20 | 56.6 Ų | 56.6 | 8% | 0.075 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.6 | -44.5 | 172 | -171 | -143.9 | 61.4 | 75.8 | -0.9 | 111.5 | F468 W471 S505 A541 V542 L548 H549 | F468-R545 HydrophobicContact CD2-CB 4.14Å; F468-R545 HydrophobicContact CE2-CB 3.82Å; W471-R545 HydrophobicContact CE3-CG 4.24Å; W471-R545 HydrophobicContact CH2-CB 4.49Å; W471-R545 HydrophobicContact CH2-CG 3.73Å; W471-R545 HydrophobicContact CZ2-CG 4.48Å; W471-R545 HydrophobicContact CZ3-CB 4.09Å; W471-R545 HydrophobicContact CZ3-CG 3.6Å; S505-R545 WeakPolarHBondContact O-CD 3.47Å; S505-R545 PolarHBondContact OG-NH1 2.81Å; A541-R545 WeakPolarHBondContact O-CB 3.39Å; A541-R545 PolarHBondContact O-N 2.76Å; V542-R545 WeakPolarHBondContact O-CB 3.39Å; V542-R545 PolarHBondContact O-N 3.21Å; R545-L548 PolarHBondContact O-N 2.84Å; R545-H549 PolarHBondContact NH1-ND1 2.96Å; R545-H549 WeakPolarHBondContact O-CB 3.17Å; R545-H549 PolarHBondContact O-N 3.36Å |
| 546 | E | 84.8 | Confident | 83.7 | Confident | 81 Ų | 81 | 56.7 Ų | 56.7 | 38% | 0.379 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.2 | -47 | 175.1 | -72.9 | 168.5 | 173.9 | 0 | 0 | 111.8 | V542 R543 H549 N550 | V542-E546 WeakPolarHBondContact O-CG 3.42Å; V542-E546 PolarHBondContact O-N 3.42Å; R543-E546 PolarHBondContact O-N 2.88Å; E546-H549 PolarHBondContact O-N 3.26Å; E546-N550 WeakPolarHBondContact O-CB 3.33Å; E546-N550 VanDerWaalsContact O-CG 3.26Å; E546-N550 PolarHBondContact O-N 3.38Å; E546-N550 PolarHBondContact O-ND2 3.4Å; E546-N550 VanDerWaalsContact O-ND2 3.1Å |
| 547 | L | 86.3 | Confident | 83.5 | Confident | 97 Ų | 97 | 58.9 Ų | 58.9 | 51% | 0.508 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.9 | -50.9 | 176.1 | 179.1 | 61.7 | 0 | 0 | 0 | 112.1 | R543 T544 H549 N550 Q551 | R543-L547 PolarHBondContact O-N 3.48Å; R543-L547 VanDerWaalsContact O-N 3.11Å; T544-L547 PolarHBondContact O-N 3.46Å; L547-H549 VanDerWaalsContact C-N 3.35Å; L547-H549 PolarHBondContact O-N 3.48Å; L547-N550 PolarHBondContact O-N 2.8Å; L547-Q551 WeakPolarHBondContact O-CG 3.34Å; L547-Q551 PolarHBondContact O-N 3.01Å |
| 548 | L | 84.8 | Confident | 83 | Confident | 23 Ų | 23 | 60.9 Ų | 60.9 | 12% | 0.12 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.4 | -35.7 | -179.8 | -72.4 | 173 | 0 | 0 | 0 | 112.6 | W471 A472 V475 T544 R545 Q551 L552 | W471-L548 HydrophobicContact CH2-CB 3.66Å; W471-L548 HydrophobicContact CZ3-CB 3.87Å; W471-L548 HydrophobicContact CZ3-CD1 3.9Å; A472-L548 HydrophobicContact CB-CD1 3.8Å; V475-L548 HydrophobicContact CG1-CB 4.22Å; V475-L548 HydrophobicContact CG1-CD2 4.02Å; T544-L548 HydrophobicContact CG2-CD1 4.14Å; T544-L548 WeakPolarHBondContact O-CB 3.35Å; T544-L548 WeakPolarHBondContact O-CG 3.29Å; T544-L548 PolarHBondContact O-N 3.46Å; R545-L548 PolarHBondContact O-N 2.84Å; L548-Q551 PolarHBondContact O-N 3.37Å; L548-L552 WeakPolarHBondContact O-CG 3.24Å; L548-L552 PolarHBondContact O-N 3.24Å |
| 549 | H | 87.1 | Confident | 82.5 | Confident | 48 Ų | 48 | 61 Ų | 61 | 22% | 0.222 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.4 | -45.4 | 174.7 | -172.9 | 104.6 | 0 | 0 | 0 | 111.5 | S505 R545 E546 L547 Q551 L552 L553 | S505-H549 VanDerWaalsContact CB-ND1 3.28Å; S505-H549 WeakPolarHBondContact CB-ND1 3.41Å; S505-H549 PolarHBondContact OG-ND1 3.47Å; R545-H549 PolarHBondContact NH1-ND1 2.96Å; R545-H549 WeakPolarHBondContact O-CB 3.17Å; R545-H549 PolarHBondContact O-N 3.36Å; E546-H549 PolarHBondContact O-N 3.26Å; L547-H549 VanDerWaalsContact C-N 3.35Å; L547-H549 PolarHBondContact O-N 3.48Å; H549-Q551 VanDerWaalsContact C-N 3.35Å; H549-Q551 PolarHBondContact O-N 2.9Å; H549-L552 PolarHBondContact O-N 2.97Å; H549-L553 PolarHBondContact O-N 2.93Å |
| 550 | N | 84.4 | Confident | 82.1 | Confident | 97 Ų | 97 | 62.7 Ų | 62.7 | 52% | 0.519 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.7 | -38.9 | 177.4 | -71.2 | -32.1 | 0 | 0 | 0 | 111.9 | E546 L547 L553 E554 | E546-N550 WeakPolarHBondContact O-CB 3.33Å; E546-N550 VanDerWaalsContact O-CG 3.26Å; E546-N550 PolarHBondContact O-N 3.38Å; E546-N550 PolarHBondContact O-ND2 3.4Å; E546-N550 VanDerWaalsContact O-ND2 3.1Å; L547-N550 PolarHBondContact O-N 2.8Å; N550-L553 PolarHBondContact O-N 3.47Å; N550-E554 PolarHBondContact O-N 3.21Å |
| 551 | Q | 82.6 | Confident | 81.3 | Confident | 73 Ų | 73 | 64.3 Ų | 64.3 | 34% | 0.341 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 174.3 | -72.6 | 174.3 | 3.3 | 0 | 0 | 112.5 | M479 L547 L548 H549 L553 R555 | M479-Q551 HydrophobicContact CE-CB 4.04Å; L547-Q551 WeakPolarHBondContact O-CG 3.34Å; L547-Q551 PolarHBondContact O-N 3.01Å; L548-Q551 PolarHBondContact O-N 3.37Å; H549-Q551 VanDerWaalsContact C-N 3.35Å; H549-Q551 PolarHBondContact O-N 2.9Å; Q551-L553 VanDerWaalsContact C-N 3.34Å; Q551-L553 PolarHBondContact O-N 3.04Å; Q551-R555 VanDerWaalsContact O-CB 3.29Å; Q551-R555 WeakPolarHBondContact O-CB 3.08Å; Q551-R555 PolarHBondContact O-N 2.89Å |
| 552 | L | 83.9 | Confident | 80.6 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.3 | -41 | 173 | -79 | 172 | 0 | 0 | 0 | 112.2 | W471 V475 M479 I498 L501 L502 L548 H549 R555 K556 | W471-L552 HydrophobicContact CZ2-CD1 4.27Å; V475-L552 HydrophobicContact CB-CD1 4.43Å; V475-L552 HydrophobicContact CG1-CD1 3.86Å; V475-L552 HydrophobicContact CG1-CD2 4Å; V475-L552 HydrophobicContact CG1-CG 3.75Å; V475-L552 HydrophobicContact CG2-CD1 3.77Å; M479-L552 HydrophobicContact SD-CD2 4.17Å; I498-L552 HydrophobicContact CB-CD2 4.42Å; I498-L552 HydrophobicContact CG1-CD2 4.02Å; I498-L552 HydrophobicContact CG2-CB 4.25Å; I498-L552 HydrophobicContact CG2-CD2 4.06Å; L501-L552 HydrophobicContact CB-CD1 3.88Å; L502-L552 HydrophobicContact CD2-CB 3.7Å; L502-L552 HydrophobicContact CD2-CD1 4.25Å; L502-L552 HydrophobicContact CG-CB 4.07Å; L502-L552 HydrophobicContact CG-CD1 4.41Å; L548-L552 WeakPolarHBondContact O-CG 3.24Å; L548-L552 PolarHBondContact O-N 3.24Å; H549-L552 PolarHBondContact O-N 2.97Å; L552-R555 PolarHBondContact O-N 2.89Å; L552-K556 WeakPolarHBondContact O-CB 3.3Å; L552-K556 PolarHBondContact O-N 2.84Å |
| 553 | L | 83.9 | Confident | 79.8 | Confident | 70 Ų | 70 | 69.7 Ų | 69.7 | 37% | 0.366 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.1 | -45.2 | 179 | -175.1 | 63.7 | 0 | 0 | 0 | 111.9 | H549 N550 Q551 R555 K556 N557 | H549-L553 PolarHBondContact O-N 2.93Å; N550-L553 PolarHBondContact O-N 3.47Å; Q551-L553 VanDerWaalsContact C-N 3.34Å; Q551-L553 PolarHBondContact O-N 3.04Å; L553-R555 VanDerWaalsContact C-N 3.29Å; L553-R555 PolarHBondContact O-N 3.37Å; L553-K556 WeakPolarHBondContact O-CB 3.45Å; L553-K556 PolarHBondContact O-N 3.47Å; L553-N557 PolarHBondContact O-N 3.5Å; L553-N557 VanDerWaalsContact O-N 3.13Å; L553-N557 PolarHBondContact O-ND2 3.33Å; L553-N557 PolarHBondContact O-OD1 3.1Å |
| 554 | E | 80.2 | Confident | 79 | Confident | 131 Ų | 131 | 65.2 Ų | 65.2 | 61% | 0.612 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -58.7 | -43.9 | 172.1 | -169.6 | -168.6 | 157.9 | 0 | 0 | 110.9 | N550 K556 N557 R558 | N550-E554 PolarHBondContact O-N 3.21Å; E554-K556 PolarHBondContact O-N 3.24Å; E554-N557 PolarHBondContact O-N 3.41Å; E554-R558 PolarHBondContact O-N 2.88Å |
| 555 | R | 78.1 | Confident | 78.1 | Confident | 38 Ų | 38 | 68.1 Ų | 68.1 | 14% | 0.143 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.9 | -37.7 | -178 | -161.1 | 68.3 | -176 | 82.2 | -5.8 | 112.9 | M479 S482 I498 Q551 L552 L553 L559 | M479-R555 HydrophobicContact CE-CB 4.25Å; M479-R555 HydrophobicContact CE-CG 4.35Å; M479-R555 HydrophobicContact SD-CB 3.94Å; M479-R555 HydrophobicContact SD-CG 3.96Å; S482-R555 VanDerWaalsContact C-NH2 3.33Å; S482-R555 PolarHBondContact O-NH2 2.82Å; S482-R555 VanDerWaalsContact OG-CZ 3.24Å; S482-R555 PolarHBondContact OG-NE 2.82Å; S482-R555 PolarHBondContact OG-NH2 2.69Å; I498-R555 HydrophobicContact CD1-CB 4.47Å; I498-R555 HydrophobicContact CD1-CG 4.21Å; Q551-R555 VanDerWaalsContact O-CB 3.29Å; Q551-R555 WeakPolarHBondContact O-CB 3.08Å; Q551-R555 PolarHBondContact O-N 2.89Å; L552-R555 PolarHBondContact O-N 2.89Å; L553-R555 VanDerWaalsContact C-N 3.29Å; L553-R555 PolarHBondContact O-N 3.37Å; R555-L559 WeakPolarHBondContact O-CG 3.4Å; R555-L559 PolarHBondContact O-N 2.85Å |
| 556 | K | 81.9 | Confident | 76.9 | Confident | 52 Ų | 52 | 70.2 Ų | 70.2 | 23% | 0.226 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.8 | -58.2 | 171 | -178.9 | -161.1 | 160.4 | -172.4 | 0 | 110.7 | L495 I498 L552 L553 E554 R558 L559 E560 | L495-K556 HydrophobicContact CD1-CB 4.43Å; L495-K556 HydrophobicContact CD1-CG 3.66Å; I498-K556 HydrophobicContact CG2-CB 3.97Å; L552-K556 WeakPolarHBondContact O-CB 3.3Å; L552-K556 PolarHBondContact O-N 2.84Å; L553-K556 WeakPolarHBondContact O-CB 3.45Å; L553-K556 PolarHBondContact O-N 3.47Å; E554-K556 PolarHBondContact O-N 3.24Å; K556-R558 PolarHBondContact O-N 2.94Å; K556-L559 PolarHBondContact O-N 2.87Å; K556-E560 VanDerWaalsContact CE-CD 3.43Å; K556-E560 WeakPolarHBondContact CE-OE1 3.34Å; K556-E560 WeakPolarHBondContact CE-OE2 3.39Å; K556-E560 IonicContact NZ-OE1 2.66Å; K556-E560 PolarHBondContact O-N 2.85Å; K556-E560 VanDerWaalsContact O-N 3.11Å |
| 557 | N | 77.4 | Confident | 76 | Confident | 82 Ų | 82 | 74 Ų | 74 | 44% | 0.439 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -57.2 | -37.1 | -176 | -60.9 | -12.3 | 0 | 0 | 0 | 111.6 | L553 E554 E560 S561 | L553-N557 PolarHBondContact O-N 3.5Å; L553-N557 VanDerWaalsContact O-N 3.13Å; L553-N557 PolarHBondContact O-ND2 3.33Å; L553-N557 PolarHBondContact O-OD1 3.1Å; E554-N557 PolarHBondContact O-N 3.41Å; N557-E560 PolarHBondContact O-N 2.97Å; N557-S561 PolarHBondContact O-N 3.45Å; N557-S561 VanDerWaalsContact O-N 3.16Å |
| 558 | R | 73.8 | Confident | 74.9 | Confident | 157 Ų | 157 | 73.8 Ų | 73.8 | 59% | 0.592 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -67.2 | -33.7 | 176.2 | -174.8 | 169.7 | 174.1 | 167.3 | -3.5 | 113.8 | E554 K556 S561 | E554-R558 PolarHBondContact O-N 2.88Å; K556-R558 PolarHBondContact O-N 2.94Å; R558-S561 PolarHBondContact O-OG 3.36Å |
| 559 | L | 71.9 | Confident | 74.1 | Confident | 5 Ų | 5 | 72.9 Ų | 72.9 | 3% | 0.026 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -72.8 | -40.4 | 175 | -66.2 | 165.8 | 0 | 0 | 0 | 111.5 | T491 L494 L495 I498 R555 K556 S561 L562 I563 | T491-L559 HydrophobicContact CG2-CB 4.27Å; T491-L559 HydrophobicContact CG2-CD2 3.94Å; L494-L559 HydrophobicContact CB-CD1 4.32Å; L495-L559 HydrophobicContact CD1-CB 4.06Å; L495-L559 HydrophobicContact CD1-CD1 4.44Å; I498-L559 HydrophobicContact CD1-CD1 3.81Å; R555-L559 WeakPolarHBondContact O-CG 3.4Å; R555-L559 PolarHBondContact O-N 2.85Å; K556-L559 PolarHBondContact O-N 2.87Å; L559-S561 VanDerWaalsContact C-N 3.29Å; L559-S561 PolarHBondContact O-N 3.02Å; L559-L562 PolarHBondContact O-N 3.24Å; L559-I563 PolarHBondContact O-N 2.97Å |
| 560 | E | 74.1 | Confident | 73.1 | Confident | 72 Ų | 72 | 74.2 Ų | 74.2 | 34% | 0.336 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.6 | -36.7 | 178.4 | -67.9 | 172.6 | 160.6 | 0 | 0 | 111.6 | L495 K556 N557 L562 I563 S564 | L495-E560 HydrophobicContact CD1-CG 3.67Å; L495-E560 HydrophobicContact CD2-CG 4.1Å; K556-E560 VanDerWaalsContact CE-CD 3.43Å; K556-E560 WeakPolarHBondContact CE-OE1 3.34Å; K556-E560 WeakPolarHBondContact CE-OE2 3.39Å; K556-E560 IonicContact NZ-OE1 2.66Å; K556-E560 PolarHBondContact O-N 2.85Å; K556-E560 VanDerWaalsContact O-N 3.11Å; N557-E560 PolarHBondContact O-N 2.97Å; E560-L562 VanDerWaalsContact C-N 3.31Å; E560-L562 PolarHBondContact O-N 3.08Å; E560-I563 PolarHBondContact O-N 2.95Å; E560-S564 PolarHBondContact O-N 3.21Å |
| 561 | S | 67.1 | Low | 72.4 | Confident | 68 Ų | 68 | 74.5 Ų | 74.5 | 48% | 0.476 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -70.8 | -17.9 | 176.8 | 73.1 | 0 | 0 | 0 | 0 | 115.5 | N557 R558 L559 S564 | N557-S561 PolarHBondContact O-N 3.45Å; N557-S561 VanDerWaalsContact O-N 3.16Å; R558-S561 PolarHBondContact O-OG 3.36Å; L559-S561 VanDerWaalsContact C-N 3.29Å; L559-S561 PolarHBondContact O-N 3.02Å; S561-S564 PolarHBondContact O-OG 3.45Å |
| 562 | L | 68.9 | Low | 71.6 | Confident | 78 Ų | 78 | 72.3 Ų | 72.3 | 41% | 0.408 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -82.5 | -39.1 | 173.4 | -70.5 | 168.6 | 0 | 0 | 0 | 111.6 | L559 E560 S564 R565 T566 | L559-L562 PolarHBondContact O-N 3.24Å; E560-L562 VanDerWaalsContact C-N 3.31Å; E560-L562 PolarHBondContact O-N 3.08Å; L562-S564 VanDerWaalsContact C-N 3.33Å; L562-S564 PolarHBondContact O-N 3.32Å; L562-R565 PolarHBondContact O-N 3.16Å; L562-T566 PolarHBondContact O-N 2.91Å; L562-T566 PolarHBondContact O-OG1 2.86Å |
| 563 | I | 68.9 | Low | 70.9 | Confident | 52 Ų | 52 | 74.3 Ų | 74.3 | 27% | 0.267 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.8 | -39.6 | -180 | -71.2 | 168.4 | 0 | 0 | 0 | 111.6 | F488 T491 L559 E560 T566 | F488-I563 HydrophobicContact CE2-CB 4.28Å; F488-I563 HydrophobicContact CE2-CG1 4.08Å; F488-I563 HydrophobicContact CE2-CG2 3.93Å; F488-I563 HydrophobicContact CZ-CG2 3.96Å; T491-I563 HydrophobicContact CG2-CD1 4Å; T491-I563 HydrophobicContact CG2-CG1 4.02Å; L559-I563 PolarHBondContact O-N 2.97Å; E560-I563 PolarHBondContact O-N 2.95Å; I563-T566 PolarHBondContact O-OG1 3.15Å |
| 564 | S | 66.9 | Low | 70.6 | Confident | 62 Ų | 62 | 75.7 Ų | 75.7 | 43% | 0.434 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64 | -53.7 | 176.2 | 53.3 | 0 | 0 | 0 | 0 | 111.9 | E560 S561 L562 T566 K567 | E560-S564 PolarHBondContact O-N 3.21Å; S561-S564 PolarHBondContact O-OG 3.45Å; L562-S564 VanDerWaalsContact C-N 3.33Å; L562-S564 PolarHBondContact O-N 3.32Å; S564-T566 VanDerWaalsContact C-N 3.25Å; S564-T566 PolarHBondContact O-N 3.16Å; S564-T566 VanDerWaalsContact O-N 3.15Å; S564-K567 VanDerWaalsContact O-CB 3.25Å; S564-K567 WeakPolarHBondContact O-CB 3.45Å; S564-K567 PolarHBondContact O-N 3.49Å |
| 565 | R | 63.6 | Low | 70.3 | Confident | 124 Ų | 124 | 75.3 Ų | 75.3 | 47% | 0.468 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.5 | -29.4 | -174.1 | -164.7 | 173.5 | 75.3 | -152.1 | 3.4 | 113.9 | L562 K567 S630 | L562-R565 PolarHBondContact O-N 3.16Å; R565-K567 VanDerWaalsContact C-N 3.29Å; R565-K567 PolarHBondContact O-N 3.22Å; R565-S630 VanDerWaalsContact NH2-CB 3.29Å; R565-S630 PolarHBondContact NH2-OG 2.88Å |
| 566 | T | 63.8 | Low | 70 | Confident | 64 Ų | 64 | 74 Ų | 74 | 39% | 0.393 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.6 | -26.4 | 173.5 | 39 | 0 | 0 | 0 | 0 | 113.9 | L562 I563 S564 | L562-T566 PolarHBondContact O-N 2.91Å; L562-T566 PolarHBondContact O-OG1 2.86Å; I563-T566 PolarHBondContact O-OG1 3.15Å; S564-T566 VanDerWaalsContact C-N 3.25Å; S564-T566 PolarHBondContact O-N 3.16Å; S564-T566 VanDerWaalsContact O-N 3.15Å |
| 567 | K | 65.9 | Low | 69.8 | Low | 161 Ų | 161 | 75 Ų | 75 | 70% | 0.7 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -74.3 | -36.8 | -178.5 | -170.2 | -175.8 | 175.7 | -171.7 | 0 | 112.3 | S564 R565 D570 | S564-K567 VanDerWaalsContact O-CB 3.25Å; S564-K567 WeakPolarHBondContact O-CB 3.45Å; S564-K567 PolarHBondContact O-N 3.49Å; R565-K567 VanDerWaalsContact C-N 3.29Å; R565-K567 PolarHBondContact O-N 3.22Å; K567-D570 PolarHBondContact O-N 3.27Å |
| 568 | D | 63.5 | Low | 69.7 | Low | 92 Ų | 92 | 73.9 Ų | 73.9 | 49% | 0.492 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -74.4 | -31.3 | -171.7 | -54.8 | -37.5 | 0 | 0 | 0 | 112.8 | ||
| 569 | F | 67.5 | Low | 69.5 | Low | 4 Ų | 4 | 68.7 Ų | 68.7 | 2% | 0.018 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 172.6 | 169.4 | -95.7 | 0 | 0 | 0 | 112 | E571 A572 Y573 L624 L627 V628 S634 | F569-E571 PolarHBondContact O-N 3.49Å; F569-A572 PolarHBondContact O-N 2.92Å; F569-Y573 HydrophobicContact CZ-CG 4.45Å; F569-Y573 PolarHBondContact O-N 3.28Å; F569-Y573 VanDerWaalsContact O-N 3.11Å; F569-L624 HydrophobicContact CD2-CD1 3.84Å; F569-L624 HydrophobicContact CE2-CD1 3.75Å; F569-L624 HydrophobicContact CE2-CG 4.24Å; F569-L627 HydrophobicContact CB-CB 4.34Å; F569-L627 HydrophobicContact CD2-CB 4.14Å; F569-V628 HydrophobicContact CD2-CG2 4.09Å; F569-V628 HydrophobicContact CE2-CG2 3.54Å; F569-V628 HydrophobicContact CZ-CG2 4.48Å; F569-S634 VanDerWaalsContact CD1-OG 3.28Å; F569-S634 WeakPolarHBondContact CD1-OG 3.48Å; F569-S634 VanDerWaalsContact CE1-CB 3.45Å; F569-S634 VanDerWaalsContact CE1-OG 3.29Å; F569-S634 WeakPolarHBondContact CE1-OG 3.43Å; F569-S634 VanDerWaalsContact CZ-CB 3.5Å; F569-S634 WeakPolarHBondContact CZ-O 3.39Å |
| 570 | D | 66 | Low | 69.6 | Low | 76 Ų | 76 | 68.7 Ų | 68.7 | 41% | 0.406 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -68.4 | -26 | -168.3 | -139.7 | 65.2 | 0 | 0 | 0 | 112.2 | K567 K574 | K567-D570 PolarHBondContact O-N 3.27Å; D570-K574 WeakPolarHBondContact O-CD 3.19Å; D570-K574 WeakPolarHBondContact O-CE 3.18Å; D570-K574 WeakPolarHBondContact O-CG 3.28Å; D570-K574 PolarHBondContact O-NZ 3.15Å; D570-K574 IonicContact OD2-NZ 3.18Å; D570-K574 PolarHBondContact OD2-NZ 2.86Å |
| 571 | E | 69.4 | Low | 69.7 | Low | 103 Ų | 103 | 68.2 Ų | 68.2 | 48% | 0.481 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -82.1 | -44.1 | 176.4 | -169.4 | 56 | -151.2 | 0 | 0 | 111.9 | F569 Y573 K574 Q575 | F569-E571 PolarHBondContact O-N 3.49Å; E571-Y573 VanDerWaalsContact C-N 3.33Å; E571-Y573 PolarHBondContact O-N 3.26Å; E571-K574 PolarHBondContact O-N 3.33Å; E571-Q575 PolarHBondContact O-N 2.68Å |
| 572 | A | 65.7 | Low | 70.2 | Confident | 28 Ų | 28 | 67.3 Ų | 67.3 | 23% | 0.231 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.9 | -38.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F569 K574 Q575 L624 L627 | F569-A572 PolarHBondContact O-N 2.92Å; A572-K574 PolarHBondContact O-N 2.96Å; A572-Q575 PolarHBondContact O-N 2.93Å; A572-L624 HydrophobicContact CB-CD1 3.8Å; A572-L627 HydrophobicContact CB-CD1 4.26Å |
| 573 | Y | 71.1 | Confident | 70.6 | Confident | 41 Ų | 41 | 64 Ų | 64 | 16% | 0.161 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.5 | -37.7 | 177.3 | 177.6 | -109.4 | 0 | 0 | 0 | 113.1 | F569 E571 Q575 L577 L624 Q637 L641 | F569-Y573 HydrophobicContact CZ-CG 4.45Å; F569-Y573 PolarHBondContact O-N 3.28Å; F569-Y573 VanDerWaalsContact O-N 3.11Å; E571-Y573 VanDerWaalsContact C-N 3.33Å; E571-Y573 PolarHBondContact O-N 3.26Å; Y573-Q575 PolarHBondContact O-N 2.95Å; Y573-L577 HydrophobicContact CD1-CD1 4.09Å; Y573-L577 HydrophobicContact CE1-CD1 3.57Å; Y573-L577 HydrophobicContact CE2-CD1 4.4Å; Y573-L577 PolarHBondContact O-N 3.16Å; Y573-L624 HydrophobicContact CD2-CD2 4.16Å; Y573-Q637 HydrophobicContact CE1-CB 4.41Å; Y573-Q637 HydrophobicContact CE2-CB 3.87Å; Y573-L641 HydrophobicContact CD2-CD2 4.15Å; Y573-L641 HydrophobicContact CE2-CB 4.33Å; Y573-L641 HydrophobicContact CE2-CD2 4.24Å |
| 574 | K | 76.4 | Confident | 71 | Confident | 99 Ų | 99 | 66.2 Ų | 66.2 | 43% | 0.43 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.5 | -37.3 | -179.9 | -68.4 | 170.4 | -171.8 | 109 | 0 | 112.4 | D570 E571 A572 L577 A578 | D570-K574 WeakPolarHBondContact O-CD 3.19Å; D570-K574 WeakPolarHBondContact O-CE 3.18Å; D570-K574 WeakPolarHBondContact O-CG 3.28Å; D570-K574 PolarHBondContact O-NZ 3.15Å; D570-K574 IonicContact OD2-NZ 3.18Å; D570-K574 PolarHBondContact OD2-NZ 2.86Å; E571-K574 PolarHBondContact O-N 3.33Å; A572-K574 PolarHBondContact O-N 2.96Å; K574-L577 PolarHBondContact O-N 2.83Å; K574-A578 PolarHBondContact O-N 2.95Å |
| 575 | Q | 74.3 | Confident | 71.6 | Confident | 123 Ų | 123 | 70.1 Ų | 70.1 | 58% | 0.575 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -68.3 | -40 | -176 | -65.4 | 179.3 | 13.9 | 0 | 0 | 112.5 | E571 A572 Y573 A578 S579 | E571-Q575 PolarHBondContact O-N 2.68Å; A572-Q575 PolarHBondContact O-N 2.93Å; Y573-Q575 PolarHBondContact O-N 2.95Å; Q575-A578 PolarHBondContact O-N 3.3Å; Q575-S579 PolarHBondContact O-N 3.4Å |
| 576 | I | 72.2 | Confident | 72.1 | Confident | 10 Ų | 10 | 69.1 Ų | 69.1 | 5% | 0.051 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -72 | -31.4 | 178.8 | -54.8 | 179.3 | 0 | 0 | 0 | 111.7 | A578 S579 L580 Q620 L624 L641 W645 | I576-A578 VanDerWaalsContact C-N 3.34Å; I576-S579 PolarHBondContact O-N 3.39Å; I576-S579 PolarHBondContact O-OG 3.47Å; I576-L580 PolarHBondContact O-N 3.22Å; I576-Q620 HydrophobicContact CD1-CB 4.04Å; I576-Q620 HydrophobicContact CG1-CB 4.44Å; I576-L624 HydrophobicContact CD1-CB 4.32Å; I576-L624 HydrophobicContact CD1-CD2 4.11Å; I576-L641 HydrophobicContact CB-CD2 4.08Å; I576-L641 HydrophobicContact CD1-CD2 4.49Å; I576-L641 HydrophobicContact CG2-CD1 4.3Å; I576-L641 HydrophobicContact CG2-CD2 3.88Å; I576-L641 HydrophobicContact CG2-CG 4.34Å; I576-W645 HydrophobicContact CG2-CE3 4.42Å; I576-W645 HydrophobicContact CG2-CZ3 4.16Å |
| 577 | L | 76.6 | Confident | 72.8 | Confident | 74 Ų | 74 | 67.2 Ų | 67.2 | 39% | 0.387 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 172 | -77.5 | 171.5 | 0 | 0 | 0 | 112.1 | Y573 K574 L580 S581 L641 | Y573-L577 HydrophobicContact CD1-CD1 4.09Å; Y573-L577 HydrophobicContact CE1-CD1 3.57Å; Y573-L577 HydrophobicContact CE2-CD1 4.4Å; Y573-L577 PolarHBondContact O-N 3.16Å; K574-L577 PolarHBondContact O-N 2.83Å; L577-L580 PolarHBondContact O-N 2.96Å; L577-S581 PolarHBondContact O-N 3.32Å; L577-S581 PolarHBondContact O-OG 3.06Å; L577-L641 HydrophobicContact CD2-CD1 3.63Å; L577-L641 HydrophobicContact CG-CD1 4.05Å |
| 578 | A | 75.9 | Confident | 73.3 | Confident | 59 Ų | 59 | 66.2 Ų | 66.2 | 49% | 0.488 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.5 | -39.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K574 Q575 I576 S581 A582 | K574-A578 PolarHBondContact O-N 2.95Å; Q575-A578 PolarHBondContact O-N 3.3Å; I576-A578 VanDerWaalsContact C-N 3.34Å; A578-S581 WeakPolarHBondContact CA-OG 3.36Å; A578-S581 PolarHBondContact O-N 3.36Å; A578-S581 PolarHBondContact O-OG 3.25Å; A578-A582 PolarHBondContact O-N 3.35Å |
| 579 | S | 70.8 | Confident | 73.7 | Confident | 47 Ų | 47 | 65.8 Ų | 65.8 | 33% | 0.329 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.1 | -39.2 | 177.3 | 65.5 | 0 | 0 | 0 | 0 | 112.4 | Q575 I576 S581 A582 F583 | Q575-S579 PolarHBondContact O-N 3.4Å; I576-S579 PolarHBondContact O-N 3.39Å; I576-S579 PolarHBondContact O-OG 3.47Å; S579-S581 VanDerWaalsContact C-N 3.35Å; S579-S581 PolarHBondContact O-N 3.01Å; S579-A582 PolarHBondContact O-N 3.48Å; S579-F583 PolarHBondContact O-N 3.06Å |
| 580 | L | 74 | Confident | 73.8 | Confident | 6 Ų | 6 | 66 Ų | 66 | 3% | 0.031 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.8 | -38 | 174.1 | -84 | 172.1 | 0 | 0 | 0 | 113.2 | I576 L577 R584 L641 W645 L648 | I576-L580 PolarHBondContact O-N 3.22Å; L577-L580 PolarHBondContact O-N 2.96Å; L580-R584 WeakPolarHBondContact O-CG 3.41Å; L580-R584 PolarHBondContact O-N 3.31Å; L580-L641 HydrophobicContact CD1-CD1 3.64Å; L580-W645 HydrophobicContact CD1-CE3 4.07Å; L580-W645 HydrophobicContact CD2-CD2 4.15Å; L580-W645 HydrophobicContact CD2-CE3 3.53Å; L580-W645 HydrophobicContact CD2-CZ3 3.9Å; L580-W645 HydrophobicContact CG-CE3 3.8Å; L580-W645 HydrophobicContact CG-CZ3 3.97Å; L580-L648 HydrophobicContact CD2-CD2 3.71Å |
| 581 | S | 76.3 | Confident | 74 | Confident | 61 Ų | 61 | 66 Ų | 66 | 43% | 0.427 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.6 | -48.6 | 172.9 | 29 | 0 | 0 | 0 | 0 | 112.5 | L577 A578 S579 F583 R584 E585 | L577-S581 PolarHBondContact O-N 3.32Å; L577-S581 PolarHBondContact O-OG 3.06Å; A578-S581 WeakPolarHBondContact CA-OG 3.36Å; A578-S581 PolarHBondContact O-N 3.36Å; A578-S581 PolarHBondContact O-OG 3.25Å; S579-S581 VanDerWaalsContact C-N 3.35Å; S579-S581 PolarHBondContact O-N 3.01Å; S581-F583 PolarHBondContact O-N 3.15Å; S581-R584 PolarHBondContact O-N 2.86Å; S581-R584 VanDerWaalsContact O-N 3.1Å; S581-E585 PolarHBondContact O-N 2.92Å |
| 582 | A | 75.9 | Confident | 74.3 | Confident | 50 Ų | 50 | 63.5 Ų | 63.5 | 41% | 0.413 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.2 | -22.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A578 S579 R586 | A578-A582 PolarHBondContact O-N 3.35Å; S579-A582 PolarHBondContact O-N 3.48Å; A582-R586 PolarHBondContact O-NE 2.88Å |
| 583 | F | 77.1 | Confident | 74.9 | Confident | 8 Ų | 8 | 67.1 Ų | 67.1 | 4% | 0.035 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -74.1 | -45 | 170 | -168.6 | -78.2 | 0 | 0 | 0 | 112 | S579 S581 E585 R586 L587 L610 E613 L614 L648 V652 | S579-F583 PolarHBondContact O-N 3.06Å; S581-F583 PolarHBondContact O-N 3.15Å; F583-E585 VanDerWaalsContact C-N 3.29Å; F583-E585 PolarHBondContact O-N 3.45Å; F583-R586 PolarHBondContact O-N 2.89Å; F583-L587 PolarHBondContact O-N 3.29Å; F583-L587 VanDerWaalsContact O-N 3.13Å; F583-L610 HydrophobicContact CE2-CD2 4.39Å; F583-L610 WeakPolarHBondContact CE2-O 3.39Å; F583-L610 HydrophobicContact CZ-CB 4.14Å; F583-L610 WeakPolarHBondContact CZ-O 3.38Å; F583-E613 HydrophobicContact CE2-CB 4.23Å; F583-L614 HydrophobicContact CD1-CD1 4.22Å; F583-L614 HydrophobicContact CD2-CD1 3.88Å; F583-L614 HydrophobicContact CE1-CD1 4.22Å; F583-L614 HydrophobicContact CE1-CD2 4.23Å; F583-L614 HydrophobicContact CE2-CB 3.81Å; F583-L614 HydrophobicContact CE2-CD1 3.88Å; F583-L614 HydrophobicContact CE2-CG 4.32Å; F583-L614 HydrophobicContact CG-CD1 4.05Å; F583-L614 HydrophobicContact CZ-CB 3.87Å; F583-L614 HydrophobicContact CZ-CD1 4.05Å; F583-L614 HydrophobicContact CZ-CD2 4.13Å; F583-L614 HydrophobicContact CZ-CG 4.24Å; F583-L648 HydrophobicContact CB-CD2 4.46Å; F583-L648 HydrophobicContact CD1-CD1 4.39Å; F583-L648 HydrophobicContact CD1-CD2 3.62Å; F583-L648 HydrophobicContact CD1-CG 3.97Å; F583-L648 HydrophobicContact CE1-CD2 4.24Å; F583-L648 HydrophobicContact CE1-CG 4.13Å; F583-L648 HydrophobicContact CG-CD2 4.28Å; F583-V652 HydrophobicContact CE1-CG2 3.68Å; F583-V652 HydrophobicContact CZ-CG2 3.89Å |
| 584 | R | 79.3 | Confident | 75.3 | Confident | 98 Ų | 98 | 67.7 Ų | 67.7 | 37% | 0.37 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.6 | -37.3 | -177.9 | -76 | 171.6 | 177.9 | 176.5 | 0.7 | 112.7 | L580 S581 L588 D644 L648 | L580-R584 WeakPolarHBondContact O-CG 3.41Å; L580-R584 PolarHBondContact O-N 3.31Å; S581-R584 PolarHBondContact O-N 2.86Å; S581-R584 VanDerWaalsContact O-N 3.1Å; R584-L588 WeakPolarHBondContact O-CG 3.5Å; R584-L588 PolarHBondContact O-N 3.45Å; R584-D644 IonicContact CZ-OD2 3.99Å; R584-D644 VanDerWaalsContact CZ-OD2 3.31Å; R584-D644 IonicContact NH1-OD2 3.72Å; R584-D644 PolarHBondContact NH1-OD2 3.39Å; R584-D644 PolarHBondContact NH2-O 3.5Å; R584-D644 IonicContact NH2-OD2 2.92Å; R584-D644 PolarHBondContact NH2-OD2 3.35Å; R584-L648 HydrophobicContact CG-CD1 3.81Å; R584-L648 HydrophobicContact CG-CD2 3.96Å |
| 585 | E | 77.6 | Confident | 75.1 | Confident | 145 Ų | 145 | 64.9 Ų | 64.9 | 68% | 0.678 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -68.2 | -42.8 | 177.2 | -66.6 | -177.7 | 163.7 | 0 | 0 | 112.9 | S581 F583 L587 L588 A589 | S581-E585 PolarHBondContact O-N 2.92Å; F583-E585 VanDerWaalsContact C-N 3.29Å; F583-E585 PolarHBondContact O-N 3.45Å; E585-L587 PolarHBondContact O-N 3.33Å; E585-L588 PolarHBondContact O-N 2.76Å; E585-A589 PolarHBondContact O-N 3.34Å; E585-A589 VanDerWaalsContact O-N 3.14Å |
| 586 | R | 75.1 | Confident | 75.2 | Confident | 102 Ų | 102 | 62.7 Ų | 62.7 | 39% | 0.385 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67.4 | -35.3 | 179.2 | -70 | -175.6 | -66 | 139.3 | 1.2 | 112.8 | A582 F583 L588 A589 A590 L610 E613 | A582-R586 PolarHBondContact O-NE 2.88Å; F583-R586 PolarHBondContact O-N 2.89Å; R586-L588 VanDerWaalsContact C-N 3.34Å; R586-L588 PolarHBondContact O-N 3.07Å; R586-A589 PolarHBondContact O-N 3.41Å; R586-A590 PolarHBondContact O-N 3.32Å; R586-L610 HydrophobicContact CB-CD2 4.1Å; R586-E613 IonicContact CZ-OE1 2.74Å; R586-E613 IonicContact CZ-OE2 3.21Å; R586-E613 VanDerWaalsContact NH1-CD 3.26Å; R586-E613 IonicContact NH1-OE1 3.62Å; R586-E613 PolarHBondContact NH1-OE1 3.43Å; R586-E613 IonicContact NH1-OE2 2.76Å; R586-E613 PolarHBondContact NH1-OE2 3.1Å; R586-E613 IonicContact NH2-OE2 2.7Å; R586-E613 PolarHBondContact NH2-OE2 3.45Å |
| 587 | L | 77.8 | Confident | 75.4 | Confident | 24 Ų | 24 | 64 Ų | 64 | 13% | 0.126 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.8 | -39.3 | 173.4 | -178.1 | 59.9 | 0 | 0 | 0 | 112.3 | F583 E585 A590 M607 L610 L648 V652 | F583-L587 PolarHBondContact O-N 3.29Å; F583-L587 VanDerWaalsContact O-N 3.13Å; E585-L587 PolarHBondContact O-N 3.33Å; L587-A590 PolarHBondContact O-N 3.01Å; L587-M607 HydrophobicContact CD1-CE 4.48Å; L587-M607 HydrophobicContact CD1-SD 3.97Å; L587-L610 HydrophobicContact CD1-CD1 4.41Å; L587-L648 HydrophobicContact CD2-CD1 4.17Å; L587-V652 HydrophobicContact CD1-CG2 4.02Å; L587-V652 HydrophobicContact CD2-CG2 3.84Å |
| 588 | L | 77.1 | Confident | 75.6 | Confident | 140 Ų | 140 | 66.7 Ų | 66.7 | 73% | 0.733 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -67.6 | -36.8 | 176.6 | -73.3 | 168.1 | 0 | 0 | 0 | 112.5 | R584 E585 R586 A590 | R584-L588 WeakPolarHBondContact O-CG 3.5Å; R584-L588 PolarHBondContact O-N 3.45Å; E585-L588 PolarHBondContact O-N 2.76Å; R586-L588 VanDerWaalsContact C-N 3.34Å; R586-L588 PolarHBondContact O-N 3.07Å; L588-A590 VanDerWaalsContact C-N 3.29Å; L588-A590 PolarHBondContact O-N 3.28Å |
| 589 | A | 72.6 | Confident | 75.7 | Confident | 83 Ų | 83 | 64.9 Ų | 64.9 | 69% | 0.686 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -66.2 | -29.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E585 R586 | E585-A589 PolarHBondContact O-N 3.34Å; E585-A589 VanDerWaalsContact O-N 3.14Å; R586-A589 PolarHBondContact O-N 3.41Å |
| 590 | A | 68.8 | Low | 76.1 | Confident | 10 Ų | 10 | 62.7 Ų | 62.7 | 8% | 0.083 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -85.9 | -12.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | R586 L587 L588 A592 Q603 M607 L610 | R586-A590 PolarHBondContact O-N 3.32Å; L587-A590 PolarHBondContact O-N 3.01Å; L588-A590 VanDerWaalsContact C-N 3.29Å; L588-A590 PolarHBondContact O-N 3.28Å; A590-A592 PolarHBondContact O-N 3.44Å; A590-A592 VanDerWaalsContact O-N 3.13Å; A590-Q603 PolarHBondContact O-NE2 3.21Å; A590-M607 HydrophobicContact CB-CE 3.55Å; A590-M607 HydrophobicContact CB-SD 4.08Å; A590-M607 WeakPolarHBondContact O-CE 3.5Å; A590-L610 HydrophobicContact CB-CD1 4.28Å |
| 591 | D | 71 | Confident | 76.3 | Confident | 74 Ų | 74 | 66 Ų | 66 | 40% | 0.396 | 36% | 0.362 | S | S | . | . | trans | -83.6 | 21.8 | -170 | -158.4 | 27.9 | 0 | 0 | 0 | 115.1 | M607 K655 | D591-M607 HydrophobicContact CB-CE 4.39Å; D591-K655 WeakPolarHBondContact OD1-CD 3.48Å; D591-K655 VanDerWaalsContact OD1-CE 3.24Å; D591-K655 WeakPolarHBondContact OD1-CE 3.23Å; D591-K655 IonicContact OD1-NZ 2.66Å; D591-K655 PolarHBondContact OD1-NZ 3.26Å; D591-K655 VanDerWaalsContact OD2-CE 3.23Å; D591-K655 WeakPolarHBondContact OD2-CE 3.37Å; D591-K655 IonicContact OD2-NZ 2.81Å; D591-K655 PolarHBondContact OD2-NZ 3.38Å | ||
| 592 | A | 74.7 | Confident | 76.5 | Confident | 52 Ų | 52 | 65.3 Ų | 65.3 | 43% | 0.43 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -91.9 | 136.1 | -175 | 0 | 0 | 0 | 0 | 0 | 113.3 | A590 Q594 Q603 | A590-A592 PolarHBondContact O-N 3.44Å; A590-A592 VanDerWaalsContact O-N 3.13Å; A592-Q594 PolarHBondContact O-N 3.1Å; A592-Q594 PolarHBondContact O-NE2 2.82Å; A592-Q603 PolarHBondContact O-NE2 2.8Å; A592-Q603 PolarHBondContact O-OE1 3.01Å |
| 593 | L | 77.9 | Confident | 76.7 | Confident | 103 Ų | 103 | 63.5 Ų | 63.5 | 54% | 0.539 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 129.7 | 177.8 | -72.4 | 174.6 | 0 | 0 | 0 | 112.4 | S735 | L593-S735 WeakPolarHBondContact O-CB 3.35Š|
| 594 | Q | 80.6 | Confident | 76.9 | Confident | 54 Ų | 54 | 64.2 Ų | 64.2 | 25% | 0.252 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -96.8 | 152.3 | -172.9 | -61.9 | -57.9 | -34 | 0 | 0 | 113.9 | A592 A599 K600 Q603 S735 | A592-Q594 PolarHBondContact O-N 3.1Å; A592-Q594 PolarHBondContact O-NE2 2.82Å; Q594-A599 HydrophobicContact CB-CB 3.87Å; Q594-A599 HydrophobicContact CG-CB 4.34Å; Q594-K600 HydrophobicContact CB-CG 3.78Å; Q594-Q603 HydrophobicContact CG-CB 4.04Å; Q594-Q603 VanDerWaalsContact CG-OE1 3.31Å; Q594-S735 PolarHBondContact O-N 3.33Å |
| 595 | P | 71.3 | Confident | 77 | Confident | 40 Ų | 40 | 65.4 Ų | 65.4 | 26% | 0.26 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -79 | -43.4 | -173.6 | 28.9 | -34.2 | 0 | 0 | 0 | 114.5 | A599 T734 S735 G738 | P595-A599 HydrophobicContact CG-CB 4.26Å; P595-T734 WeakPolarHBondContact O-CG2 3.38Å; P595-S735 VanDerWaalsContact CA-OG 3.28Å; P595-S735 WeakPolarHBondContact CA-OG 3.39Å; P595-S735 WeakPolarHBondContact CB-OG 3.21Å; P595-G738 WeakPolarHBondContact O-CA 3.49Å |
| 596 | D | 75.9 | Confident | 77.1 | Confident | 76 Ų | 76 | 63.4 Ų | 63.4 | 41% | 0.406 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -124.4 | 178.5 | -174 | 70.4 | 60.4 | 0 | 0 | 0 | 112.3 | L598 A599 K600 | D596-L598 WeakPolarHBondContact OD1-CA 3.38Å; D596-L598 WeakPolarHBondContact OD1-CB 3.47Å; D596-L598 PolarHBondContact OD1-N 3.25Å; D596-A599 PolarHBondContact OD1-N 2.9Å; D596-K600 WeakPolarHBondContact O-CB 3.39Å; D596-K600 VanDerWaalsContact O-CG 3.23Å; D596-K600 WeakPolarHBondContact O-CG 3.44Å; D596-K600 PolarHBondContact O-N 3.44Å; D596-K600 VanDerWaalsContact O-N 3.1Å |
| 597 | I | 77.6 | Confident | 77.3 | Confident | 38 Ų | 38 | 58.5 Ų | 58.5 | 20% | 0.195 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -73.8 | -25.5 | -174.4 | -156.1 | 160.9 | 0 | 0 | 0 | 113.8 | K601 H666 E667 | I597-K601 WeakPolarHBondContact O-CG 3.28Å; I597-K601 PolarHBondContact O-N 3.28Å; I597-H666 HydrophobicContact CD1-CB 3.81Å; I597-H666 HydrophobicContact CG1-CB 4.03Å; I597-E667 HydrophobicContact CD1-CB 4.32Å; I597-E667 HydrophobicContact CD1-CG 3.58Å; I597-E667 HydrophobicContact CG1-CG 4.27Å |
| 598 | L | 80.6 | Confident | 77.6 | Confident | 130 Ų | 130 | 61.4 Ų | 61.4 | 68% | 0.681 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -80 | -42.7 | 176.6 | -59.1 | 175.7 | 0 | 0 | 0 | 110.3 | D596 K600 K601 S602 | D596-L598 WeakPolarHBondContact OD1-CA 3.38Å; D596-L598 WeakPolarHBondContact OD1-CB 3.47Å; D596-L598 PolarHBondContact OD1-N 3.25Å; L598-K600 VanDerWaalsContact C-N 3.32Å; L598-K600 PolarHBondContact O-N 2.84Å; L598-K601 PolarHBondContact O-N 3.27Å; L598-S602 PolarHBondContact O-N 2.79Å |
| 599 | A | 77.8 | Confident | 77.8 | Confident | 21 Ų | 21 | 59 Ų | 59 | 17% | 0.174 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.3 | -41.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q594 P595 D596 S602 Q603 | Q594-A599 HydrophobicContact CB-CB 3.87Å; Q594-A599 HydrophobicContact CG-CB 4.34Å; P595-A599 HydrophobicContact CG-CB 4.26Å; D596-A599 PolarHBondContact OD1-N 2.9Å; A599-S602 PolarHBondContact O-N 3.1Å; A599-Q603 PolarHBondContact O-N 3.5Å |
| 600 | K | 80.1 | Confident | 78.1 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.009 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 172.4 | -74.8 | 170.6 | 170.7 | -168.6 | 0 | 113.1 | Q594 D596 L598 Q603 L604 I662 V663 H666 R733 T734 | Q594-K600 HydrophobicContact CB-CG 3.78Å; D596-K600 WeakPolarHBondContact O-CB 3.39Å; D596-K600 VanDerWaalsContact O-CG 3.23Å; D596-K600 WeakPolarHBondContact O-CG 3.44Å; D596-K600 PolarHBondContact O-N 3.44Å; D596-K600 VanDerWaalsContact O-N 3.1Å; L598-K600 VanDerWaalsContact C-N 3.32Å; L598-K600 PolarHBondContact O-N 2.84Å; K600-Q603 WeakPolarHBondContact O-CB 3.46Å; K600-Q603 PolarHBondContact O-N 3.04Å; K600-L604 PolarHBondContact O-N 3.22Å; K600-I662 HydrophobicContact CD-CG2 3.71Å; K600-I662 HydrophobicContact CG-CG2 3.98Å; K600-V663 HydrophobicContact CB-CG2 3.88Å; K600-H666 PolarHBondContact NZ-ND1 2.73Å; K600-R733 WeakPolarHBondContact CE-O 3.4Å; K600-R733 PolarHBondContact NZ-O 3.18Å; K600-T734 PolarHBondContact NZ-OG1 3.06Å |
| 601 | K | 78.4 | Confident | 78.7 | Confident | 74 Ų | 74 | 57.1 Ų | 57.1 | 32% | 0.322 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 175.3 | -77.8 | -174.2 | 176.7 | -165.4 | 0 | 112.1 | I597 L598 Q603 L604 E605 V663 E667 | I597-K601 WeakPolarHBondContact O-CG 3.28Å; I597-K601 PolarHBondContact O-N 3.28Å; L598-K601 PolarHBondContact O-N 3.27Å; K601-Q603 VanDerWaalsContact C-N 3.29Å; K601-Q603 PolarHBondContact O-N 3.38Å; K601-L604 WeakPolarHBondContact O-CB 3.4Å; K601-L604 PolarHBondContact O-N 3.32Å; K601-L604 VanDerWaalsContact O-N 3.17Å; K601-E605 WeakPolarHBondContact O-CG 3.46Å; K601-E605 PolarHBondContact O-N 3.42Å; K601-V663 HydrophobicContact CD-CG1 4.16Å; K601-V663 HydrophobicContact CG-CB 4.47Å; K601-V663 HydrophobicContact CG-CG1 3.59Å; K601-V663 HydrophobicContact CG-CG2 3.95Å; K601-E667 WeakPolarHBondContact CE-OE1 3.48Å; K601-E667 VanDerWaalsContact NZ-CD 3.25Å; K601-E667 IonicContact NZ-OE1 2.66Å; K601-E667 PolarHBondContact NZ-OE1 3.2Å; K601-E667 IonicContact NZ-OE2 3.71Å; K601-E667 PolarHBondContact NZ-OE2 2.74Å |
| 602 | S | 79.3 | Confident | 79 | Confident | 48 Ų | 48 | 59.8 Ų | 59.8 | 34% | 0.336 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.2 | -33.2 | 176.2 | -168.5 | 0 | 0 | 0 | 0 | 112.8 | L598 A599 E605 Q606 | L598-S602 PolarHBondContact O-N 2.79Å; A599-S602 PolarHBondContact O-N 3.1Å; S602-E605 PolarHBondContact O-N 2.99Å; S602-Q606 WeakPolarHBondContact O-CB 3.41Å; S602-Q606 VanDerWaalsContact O-CG 3.24Å; S602-Q606 WeakPolarHBondContact O-CG 3.43Å; S602-Q606 PolarHBondContact O-N 3.47Å; S602-Q606 PolarHBondContact O-NE2 3.31Å; S602-Q606 PolarHBondContact OG-NE2 3.26Å |
| 603 | Q | 80.9 | Confident | 79 | Confident | 11 Ų | 11 | 60.9 Ų | 60.9 | 5% | 0.051 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 172.1 | 177.2 | 173.8 | 37.1 | 0 | 0 | 112.2 | A590 A592 Q594 A599 K600 K601 Q606 M607 | A590-Q603 PolarHBondContact O-NE2 3.21Å; A592-Q603 PolarHBondContact O-NE2 2.8Å; A592-Q603 PolarHBondContact O-OE1 3.01Å; Q594-Q603 HydrophobicContact CG-CB 4.04Å; Q594-Q603 VanDerWaalsContact CG-OE1 3.31Å; A599-Q603 PolarHBondContact O-N 3.5Å; K600-Q603 WeakPolarHBondContact O-CB 3.46Å; K600-Q603 PolarHBondContact O-N 3.04Å; K601-Q603 VanDerWaalsContact C-N 3.29Å; K601-Q603 PolarHBondContact O-N 3.38Å; Q603-Q606 PolarHBondContact O-N 2.7Å; Q603-M607 WeakPolarHBondContact O-CG 3.29Å; Q603-M607 PolarHBondContact O-N 2.97Å |
| 604 | L | 81.8 | Confident | 78.9 | Confident | 23 Ų | 23 | 56.1 Ų | 56.1 | 12% | 0.12 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 175.1 | 177 | 62.1 | 0 | 0 | 0 | 111.7 | K600 K601 Q606 M607 L608 V656 C659 D660 | K600-L604 PolarHBondContact O-N 3.22Å; K601-L604 WeakPolarHBondContact O-CB 3.4Å; K601-L604 PolarHBondContact O-N 3.32Å; K601-L604 VanDerWaalsContact O-N 3.17Å; L604-Q606 VanDerWaalsContact C-N 3.33Å; L604-Q606 PolarHBondContact O-N 2.73Å; L604-M607 PolarHBondContact O-N 2.88Å; L604-L608 HydrophobicContact CD1-CD1 4.4Å; L604-L608 HydrophobicContact CG-CD1 4.21Å; L604-L608 WeakPolarHBondContact O-CG 3.47Å; L604-L608 PolarHBondContact O-N 3.29Å; L604-V656 HydrophobicContact CD1-CG1 4.14Å; L604-V656 WeakPolarHBondContact CD1-O 3.49Å; L604-C659 HydrophobicContact CB-CB 4.21Å; L604-C659 HydrophobicContact CD1-CB 3.92Å; L604-D660 HydrophobicContact CD1-CB 4.07Å; L604-D660 HydrophobicContact CD2-CB 4.16Å |
| 605 | E | 79.8 | Confident | 78.8 | Confident | 124 Ų | 124 | 58.2 Ų | 58.2 | 58% | 0.579 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -59.2 | -42 | 175.6 | -69.4 | 173.8 | 160.5 | 0 | 0 | 112.1 | K601 S602 L608 V609 | K601-E605 WeakPolarHBondContact O-CG 3.46Å; K601-E605 PolarHBondContact O-N 3.42Å; S602-E605 PolarHBondContact O-N 2.99Å; E605-L608 PolarHBondContact O-N 3.19Å; E605-V609 WeakPolarHBondContact O-CG2 3.49Å; E605-V609 PolarHBondContact O-N 2.93Å; E605-V609 VanDerWaalsContact O-N 3.13Å |
| 606 | Q | 80.8 | Confident | 78.9 | Confident | 102 Ų | 102 | 61.5 Ų | 61.5 | 48% | 0.477 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 176.2 | -72.4 | 169.2 | 46.8 | 0 | 0 | 112.5 | S602 Q603 L604 V609 L610 | S602-Q606 WeakPolarHBondContact O-CB 3.41Å; S602-Q606 VanDerWaalsContact O-CG 3.24Å; S602-Q606 WeakPolarHBondContact O-CG 3.43Å; S602-Q606 PolarHBondContact O-N 3.47Å; S602-Q606 PolarHBondContact O-NE2 3.31Å; S602-Q606 PolarHBondContact OG-NE2 3.26Å; Q603-Q606 PolarHBondContact O-N 2.7Å; L604-Q606 VanDerWaalsContact C-N 3.33Å; L604-Q606 PolarHBondContact O-N 2.73Å; Q606-V609 PolarHBondContact O-N 3.21Å; Q606-L610 PolarHBondContact O-N 2.88Å; Q606-L610 VanDerWaalsContact O-N 3.12Å |
| 607 | M | 79.5 | Confident | 78.6 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.4 | -36 | 176.4 | -70 | -65.8 | -173.7 | 0 | 0 | 112.3 | L587 A590 D591 Q603 L604 L610 Q611 V656 | L587-M607 HydrophobicContact CD1-CE 4.48Å; L587-M607 HydrophobicContact CD1-SD 3.97Å; A590-M607 HydrophobicContact CB-CE 3.55Å; A590-M607 HydrophobicContact CB-SD 4.08Å; A590-M607 WeakPolarHBondContact O-CE 3.5Å; D591-M607 HydrophobicContact CB-CE 4.39Å; Q603-M607 WeakPolarHBondContact O-CG 3.29Å; Q603-M607 PolarHBondContact O-N 2.97Å; L604-M607 PolarHBondContact O-N 2.88Å; M607-L610 PolarHBondContact O-N 3.33Å; M607-L610 HydrophobicContact SD-CD1 4.37Å; M607-Q611 PolarHBondContact O-N 3.43Å; M607-V656 HydrophobicContact CB-CG2 3.71Å |
| 608 | L | 82.5 | Confident | 78.3 | Confident | 85 Ų | 85 | 63.4 Ų | 63.4 | 45% | 0.445 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.9 | -37 | 174.6 | -73.9 | 165.6 | 0 | 0 | 0 | 112.7 | L604 E605 Q611 K612 V656 | L604-L608 HydrophobicContact CD1-CD1 4.4Å; L604-L608 HydrophobicContact CG-CD1 4.21Å; L604-L608 WeakPolarHBondContact O-CG 3.47Å; L604-L608 PolarHBondContact O-N 3.29Å; E605-L608 PolarHBondContact O-N 3.19Å; L608-Q611 PolarHBondContact O-N 2.83Å; L608-K612 PolarHBondContact O-N 3.26Å; L608-V656 HydrophobicContact CD2-CG1 3.59Å; L608-V656 HydrophobicContact CD2-CG2 4.45Å; L608-V656 HydrophobicContact CG-CG1 4.1Å |
| 609 | V | 82.9 | Confident | 77.8 | Confident | 89 Ų | 89 | 60.2 Ų | 60.2 | 54% | 0.539 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.8 | -46.2 | 172.7 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | E605 Q606 Q611 K612 E613 | E605-V609 WeakPolarHBondContact O-CG2 3.49Å; E605-V609 PolarHBondContact O-N 2.93Å; E605-V609 VanDerWaalsContact O-N 3.13Å; Q606-V609 PolarHBondContact O-N 3.21Å; V609-Q611 VanDerWaalsContact C-N 3.32Å; V609-Q611 PolarHBondContact O-N 3.45Å; V609-K612 PolarHBondContact O-N 3Å; V609-E613 PolarHBondContact O-N 2.9Å |
| 610 | L | 79 | Confident | 77.3 | Confident | 13 Ų | 13 | 64.4 Ų | 64.4 | 7% | 0.068 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.9 | -37.6 | 176.4 | -70.2 | 174.6 | 0 | 0 | 0 | 112.3 | F583 R586 L587 A590 Q606 M607 K612 V652 | F583-L610 HydrophobicContact CE2-CD2 4.39Å; F583-L610 WeakPolarHBondContact CE2-O 3.39Å; F583-L610 HydrophobicContact CZ-CB 4.14Å; F583-L610 WeakPolarHBondContact CZ-O 3.38Å; R586-L610 HydrophobicContact CB-CD2 4.1Å; L587-L610 HydrophobicContact CD1-CD1 4.41Å; A590-L610 HydrophobicContact CB-CD1 4.28Å; Q606-L610 PolarHBondContact O-N 2.88Å; Q606-L610 VanDerWaalsContact O-N 3.12Å; M607-L610 PolarHBondContact O-N 3.33Å; M607-L610 HydrophobicContact SD-CD1 4.37Å; L610-K612 VanDerWaalsContact C-N 3.34Å; L610-K612 PolarHBondContact O-N 3.05Å; L610-V652 HydrophobicContact CB-CG1 4.4Å |
| 611 | Q | 80.1 | Confident | 77 | Confident | 40 Ų | 40 | 65.2 Ų | 65.2 | 19% | 0.187 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.6 | -47.4 | 174.9 | -176.2 | 175.5 | -15.1 | 0 | 0 | 111.3 | M607 L608 V609 L614 E615 V652 V656 | M607-Q611 PolarHBondContact O-N 3.43Å; L608-Q611 PolarHBondContact O-N 2.83Å; V609-Q611 VanDerWaalsContact C-N 3.32Å; V609-Q611 PolarHBondContact O-N 3.45Å; Q611-L614 PolarHBondContact O-N 2.91Å; Q611-E615 PolarHBondContact O-N 3.48Å; Q611-V652 HydrophobicContact CB-CG1 3.88Å; Q611-V656 HydrophobicContact CB-CG2 4.42Å |
| 612 | K | 78.4 | Confident | 76.6 | Confident | 130 Ų | 130 | 65.5 Ų | 65.5 | 57% | 0.565 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -64.9 | -43.1 | -176.5 | -174.9 | 176.5 | 176.8 | -178.7 | 0 | 113.4 | L608 V609 L610 L614 E615 D616 | L608-K612 PolarHBondContact O-N 3.26Å; V609-K612 PolarHBondContact O-N 3Å; L610-K612 VanDerWaalsContact C-N 3.34Å; L610-K612 PolarHBondContact O-N 3.05Å; K612-L614 PolarHBondContact O-N 3.05Å; K612-L614 VanDerWaalsContact O-N 3.14Å; K612-E615 WeakPolarHBondContact O-CB 3.36Å; K612-E615 PolarHBondContact O-N 3.14Å; K612-D616 PolarHBondContact O-N 3.42Å; K612-D616 VanDerWaalsContact O-N 3.1Å |
| 613 | E | 74 | Confident | 76.2 | Confident | 76 Ų | 76 | 67.7 Ų | 67.7 | 36% | 0.355 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -56.8 | -31.2 | 178.5 | -72.4 | -176.6 | -159.1 | 0 | 0 | 113 | F583 R586 V609 G617 | F583-E613 HydrophobicContact CE2-CB 4.23Å; R586-E613 IonicContact CZ-OE1 2.74Å; R586-E613 IonicContact CZ-OE2 3.21Å; R586-E613 VanDerWaalsContact NH1-CD 3.26Å; R586-E613 IonicContact NH1-OE1 3.62Å; R586-E613 PolarHBondContact NH1-OE1 3.43Å; R586-E613 IonicContact NH1-OE2 2.76Å; R586-E613 PolarHBondContact NH1-OE2 3.1Å; R586-E613 IonicContact NH2-OE2 2.7Å; R586-E613 PolarHBondContact NH2-OE2 3.45Å; V609-E613 PolarHBondContact O-N 2.9Å; E613-G617 PolarHBondContact O-N 2.96Å |
| 614 | L | 76.4 | Confident | 75.8 | Confident | 3 Ų | 3 | 67.3 Ų | 67.3 | 2% | 0.016 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -84.8 | -15.3 | -179.5 | -155.1 | 74.6 | 0 | 0 | 0 | 113.6 | F583 Q611 K612 W645 L648 H649 | F583-L614 HydrophobicContact CD1-CD1 4.22Å; F583-L614 HydrophobicContact CD2-CD1 3.88Å; F583-L614 HydrophobicContact CE1-CD1 4.22Å; F583-L614 HydrophobicContact CE1-CD2 4.23Å; F583-L614 HydrophobicContact CE2-CB 3.81Å; F583-L614 HydrophobicContact CE2-CD1 3.88Å; F583-L614 HydrophobicContact CE2-CG 4.32Å; F583-L614 HydrophobicContact CG-CD1 4.05Å; F583-L614 HydrophobicContact CZ-CB 3.87Å; F583-L614 HydrophobicContact CZ-CD1 4.05Å; F583-L614 HydrophobicContact CZ-CD2 4.13Å; F583-L614 HydrophobicContact CZ-CG 4.24Å; Q611-L614 PolarHBondContact O-N 2.91Å; K612-L614 PolarHBondContact O-N 3.05Å; K612-L614 VanDerWaalsContact O-N 3.14Å; L614-W645 HydrophobicContact CD1-CD2 4.38Å; L614-W645 HydrophobicContact CD1-CH2 4.08Å; L614-W645 HydrophobicContact CD1-CZ2 3.61Å; L614-W645 HydrophobicContact CG-CZ2 3.98Å; L614-W645 WeakPolarHBondContact O-CZ2 3.34Å; L614-W645 PolarHBondContact O-NE1 3.33Å; L614-W645 VanDerWaalsContact O-NE1 3.1Å; L614-L648 HydrophobicContact CD1-CD2 4.23Å; L614-L648 HydrophobicContact CD2-CB 4.22Å; L614-L648 HydrophobicContact CD2-CG 4.18Å; L614-H649 HydrophobicContact CD2-CB 3.67Å; L614-H649 VanDerWaalsContact CD2-N 3.35Å |
| 615 | E | 77.4 | Confident | 75.2 | Confident | 97 Ų | 97 | 70.9 Ų | 70.9 | 45% | 0.453 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -77.4 | -46.6 | 166.5 | -68.7 | 177.8 | -178.5 | 0 | 0 | 110.1 | Q611 K612 G617 K618 | Q611-E615 PolarHBondContact O-N 3.48Å; K612-E615 WeakPolarHBondContact O-CB 3.36Å; K612-E615 PolarHBondContact O-N 3.14Å; E615-G617 PolarHBondContact O-N 2.59Å; E615-K618 WeakPolarHBondContact O-CB 3.43Å; E615-K618 PolarHBondContact O-N 2.7Å |
| 616 | D | 74.3 | Confident | 74.7 | Confident | 109 Ų | 109 | 69.7 Ų | 69.7 | 58% | 0.583 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -60.7 | -39.6 | 179.6 | -74.8 | -34.6 | 0 | 0 | 0 | 112.5 | K612 K618 | K612-D616 PolarHBondContact O-N 3.42Å; K612-D616 VanDerWaalsContact O-N 3.1Å; D616-K618 PolarHBondContact O-N 2.99Å; D616-K618 VanDerWaalsContact O-N 3.14Å |
| 617 | G | 68.8 | Low | 74 | Confident | 11 Ų | 11 | 67.6 Ų | 67.6 | 11% | 0.113 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -16.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | E613 E615 A619 Q620 | E613-G617 PolarHBondContact O-N 2.96Å; E615-G617 PolarHBondContact O-N 2.59Å; G617-A619 PolarHBondContact O-N 3.42Å; G617-A619 VanDerWaalsContact O-N 3.13Å; G617-Q620 PolarHBondContact O-N 2.87Å; G617-Q620 VanDerWaalsContact O-N 3.08Å |
| 618 | K | 71.8 | Confident | 73.2 | Confident | 144 Ų | 144 | 67.7 Ų | 67.7 | 63% | 0.626 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -58 | -28.1 | -179.9 | -171.8 | 175.1 | -179.9 | 177 | 0 | 113.4 | E615 D616 Q620 L621 | E615-K618 WeakPolarHBondContact O-CB 3.43Å; E615-K618 PolarHBondContact O-N 2.7Å; D616-K618 PolarHBondContact O-N 2.99Å; D616-K618 VanDerWaalsContact O-N 3.14Å; K618-Q620 VanDerWaalsContact C-N 3.31Å; K618-Q620 PolarHBondContact O-N 3.21Å; K618-L621 WeakPolarHBondContact O-CB 3.3Å; K618-L621 PolarHBondContact O-N 2.86Å |
| 619 | A | 69.8 | Low | 72 | Confident | 63 Ų | 63 | 67.4 Ų | 67.4 | 52% | 0.521 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.8 | -31.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | G617 L621 T622 V623 | G617-A619 PolarHBondContact O-N 3.42Å; G617-A619 VanDerWaalsContact O-N 3.13Å; A619-L621 VanDerWaalsContact C-N 3.35Å; A619-T622 PolarHBondContact O-OG1 3.41Å; A619-V623 PolarHBondContact O-N 3.29Å |
| 620 | Q | 68.2 | Low | 70.8 | Confident | 108 Ų | 108 | 66.7 Ų | 66.7 | 51% | 0.505 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -70.6 | -34.5 | 179.4 | -60.9 | -179.5 | -1.4 | 0 | 0 | 111.4 | I576 G617 K618 V623 L624 | I576-Q620 HydrophobicContact CD1-CB 4.04Å; I576-Q620 HydrophobicContact CG1-CB 4.44Å; G617-Q620 PolarHBondContact O-N 2.87Å; G617-Q620 VanDerWaalsContact O-N 3.08Å; K618-Q620 VanDerWaalsContact C-N 3.31Å; K618-Q620 PolarHBondContact O-N 3.21Å; Q620-V623 PolarHBondContact O-N 2.95Å; Q620-L624 PolarHBondContact O-N 3.42Å |
| 621 | L | 72.6 | Confident | 69.9 | Low | 20 Ų | 20 | 68.5 Ų | 68.5 | 11% | 0.105 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 177.2 | -152.8 | 72.3 | 0 | 0 | 0 | 111.2 | K618 A619 V623 L624 E625 Y638 L641 C642 | K618-L621 WeakPolarHBondContact O-CB 3.3Å; K618-L621 PolarHBondContact O-N 2.86Å; A619-L621 VanDerWaalsContact C-N 3.35Å; L621-V623 VanDerWaalsContact C-N 3.32Å; L621-V623 PolarHBondContact O-N 2.72Å; L621-L624 WeakPolarHBondContact O-CB 3.46Å; L621-L624 PolarHBondContact O-N 3.41Å; L621-E625 PolarHBondContact O-N 2.98Å; L621-Y638 HydrophobicContact CD1-CE2 4.43Å; L621-Y638 HydrophobicContact CG-CE2 4.15Å; L621-Y638 WeakPolarHBondContact O-CE2 3.3Å; L621-Y638 PolarHBondContact O-OH 2.87Å; L621-L641 HydrophobicContact CD1-CD2 3.92Å; L621-L641 HydrophobicContact CD1-CG 4.04Å; L621-C642 HydrophobicContact CD2-CB 4.34Å |
| 622 | T | 70 | Confident | 68.9 | Low | 80 Ų | 80 | 71.6 Ų | 71.6 | 49% | 0.491 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.6 | -25.7 | 177.8 | 34.8 | 0 | 0 | 0 | 0 | 114.7 | A619 | A619-T622 PolarHBondContact O-OG1 3.41Å |
| 623 | V | 71.9 | Confident | 68 | Low | 94 Ų | 94 | 68.4 Ų | 68.4 | 57% | 0.57 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -70.1 | -44 | 172.8 | 174.8 | 0 | 0 | 0 | 0 | 110.2 | A619 Q620 L621 E625 T626 | A619-V623 PolarHBondContact O-N 3.29Å; Q620-V623 PolarHBondContact O-N 2.95Å; L621-V623 VanDerWaalsContact C-N 3.32Å; L621-V623 PolarHBondContact O-N 2.72Å; V623-E625 PolarHBondContact O-N 3.34Å; V623-T626 PolarHBondContact O-N 2.93Å; V623-T626 VanDerWaalsContact O-N 3.14Å; V623-T626 PolarHBondContact O-OG1 3.01Å |
| 624 | L | 71.2 | Confident | 67.3 | Low | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.01 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.4 | -34.3 | 178.9 | -173.9 | 63.5 | 0 | 0 | 0 | 112.2 | F569 A572 Y573 I576 Q620 L621 T626 L627 V628 Y638 L641 | F569-L624 HydrophobicContact CD2-CD1 3.84Å; F569-L624 HydrophobicContact CE2-CD1 3.75Å; F569-L624 HydrophobicContact CE2-CG 4.24Å; A572-L624 HydrophobicContact CB-CD1 3.8Å; Y573-L624 HydrophobicContact CD2-CD2 4.16Å; I576-L624 HydrophobicContact CD1-CB 4.32Å; I576-L624 HydrophobicContact CD1-CD2 4.11Å; Q620-L624 PolarHBondContact O-N 3.42Å; L621-L624 WeakPolarHBondContact O-CB 3.46Å; L621-L624 PolarHBondContact O-N 3.41Å; L624-T626 PolarHBondContact O-N 3.24Å; L624-L627 PolarHBondContact O-N 3.07Å; L624-L627 VanDerWaalsContact O-N 3.08Å; L624-V628 WeakPolarHBondContact O-CG2 3.22Å; L624-V628 PolarHBondContact O-N 3.16Å; L624-Y638 HydrophobicContact CB-CD2 4.3Å; L624-Y638 HydrophobicContact CB-CE2 4.21Å; L624-Y638 HydrophobicContact CD2-CD2 3.85Å; L624-Y638 HydrophobicContact CD2-CE2 4.4Å; L624-Y638 HydrophobicContact CG-CD2 3.95Å; L624-Y638 HydrophobicContact CG-CE2 4.37Å; L624-L641 HydrophobicContact CD2-CD2 3.74Å |
| 625 | E | 69.8 | Low | 67 | Low | 99 Ų | 99 | 70.2 Ų | 70.2 | 46% | 0.463 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -55 | -35.8 | 175.6 | -160.3 | 167.2 | 162.1 | 0 | 0 | 113.6 | L621 V623 L627 V628 Y638 | L621-E625 PolarHBondContact O-N 2.98Å; V623-E625 PolarHBondContact O-N 3.34Å; E625-L627 VanDerWaalsContact C-N 3.26Å; E625-L627 PolarHBondContact O-N 3.49Å; E625-V628 PolarHBondContact O-N 3.35Å; E625-Y638 HydrophobicContact CB-CE1 4.05Å; E625-Y638 HydrophobicContact CB-CE2 4.22Å; E625-Y638 WeakPolarHBondContact CB-OH 3.41Å; E625-Y638 HydrophobicContact CG-CE1 3.71Å; E625-Y638 PolarHBondContact OE2-OH 3.19Å |
| 626 | T | 68.9 | Low | 66.6 | Low | 99 Ų | 99 | 69.8 Ų | 69.8 | 61% | 0.607 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -70.7 | -20.7 | -179.1 | 69.5 | 0 | 0 | 0 | 0 | 113.4 | V623 L624 S629 | V623-T626 PolarHBondContact O-N 2.93Å; V623-T626 VanDerWaalsContact O-N 3.14Å; V623-T626 PolarHBondContact O-OG1 3.01Å; L624-T626 PolarHBondContact O-N 3.24Å; T626-S629 PolarHBondContact O-OG 3.22Å |
| 627 | L | 66.1 | Low | 66.3 | Low | 58 Ų | 58 | 68 Ų | 68 | 30% | 0.304 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -90 | -17.5 | 178.9 | -59.2 | 177 | 0 | 0 | 0 | 112.7 | F569 A572 L624 E625 S629 | F569-L627 HydrophobicContact CB-CB 4.34Å; F569-L627 HydrophobicContact CD2-CB 4.14Å; A572-L627 HydrophobicContact CB-CD1 4.26Å; L624-L627 PolarHBondContact O-N 3.07Å; L624-L627 VanDerWaalsContact O-N 3.08Å; E625-L627 VanDerWaalsContact C-N 3.26Å; E625-L627 PolarHBondContact O-N 3.49Å; L627-S629 VanDerWaalsContact C-N 3.34Å; L627-S629 PolarHBondContact O-N 2.96Å |
| 628 | V | 63.6 | Low | 66.6 | Low | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.006 | 39% | 0.387 | C | S | . | . | trans | -74.7 | -18.4 | -172.9 | 164.2 | 0 | 0 | 0 | 0 | 113.8 | F569 L624 E625 S630 N631 R635 Y638 | F569-V628 HydrophobicContact CD2-CG2 4.09Å; F569-V628 HydrophobicContact CE2-CG2 3.54Å; F569-V628 HydrophobicContact CZ-CG2 4.48Å; L624-V628 WeakPolarHBondContact O-CG2 3.22Å; L624-V628 PolarHBondContact O-N 3.16Å; E625-V628 PolarHBondContact O-N 3.35Å; V628-S630 PolarHBondContact O-N 2.8Å; V628-N631 PolarHBondContact O-N 3.26Å; V628-R635 VanDerWaalsContact CG1-CA 3.48Å; V628-R635 HydrophobicContact CG1-CB 3.59Å; V628-R635 HydrophobicContact CG1-CG 4.09Å; V628-Y638 HydrophobicContact CG2-CD1 4.42Å; V628-Y638 HydrophobicContact CG2-CD2 4.3Å; V628-Y638 HydrophobicContact CG2-CG 3.88Å | ||
| 629 | S | 56.9 | Low | 66.8 | Low | 80 Ų | 80 | 66.5 Ų | 66.5 | 56% | 0.559 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -12.3 | -153.4 | -40.2 | 0 | 0 | 0 | 0 | 117.1 | T626 L627 | T626-S629 PolarHBondContact O-OG 3.22Å; L627-S629 VanDerWaalsContact C-N 3.34Å; L627-S629 PolarHBondContact O-N 2.96Å |
| 630 | S | 58 | Low | 67.1 | Low | 74 Ų | 74 | 70.3 Ų | 70.3 | 52% | 0.517 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | 8.9 | -173.6 | 71.3 | 0 | 0 | 0 | 0 | 116.8 | R565 V628 | R565-S630 VanDerWaalsContact NH2-CB 3.29Å; R565-S630 PolarHBondContact NH2-OG 2.88Å; V628-S630 PolarHBondContact O-N 2.8Å |
| 631 | N | 59.2 | Low | 67.6 | Low | 50 Ų | 50 | 65.3 Ų | 65.3 | 27% | 0.267 | 36% | 0.361 | S | S | . | . | trans | -137.9 | 119.8 | 179.8 | 179.6 | 17.4 | 0 | 0 | 0 | 112.1 | V628 S633 S634 R635 | V628-N631 PolarHBondContact O-N 3.26Å; N631-S633 VanDerWaalsContact C-N 3.31Å; N631-S633 PolarHBondContact ND2-OG 3.05Å; N631-S633 PolarHBondContact O-N 3.35Å; N631-S633 PolarHBondContact OD1-N 3.47Å; N631-S633 PolarHBondContact OD1-OG 2.89Å; N631-S633 VanDerWaalsContact OD1-OG 3.06Å; N631-S634 PolarHBondContact ND2-OG 3.38Å; N631-S634 PolarHBondContact O-N 3.05Å; N631-R635 PolarHBondContact O-N 3.12Å | ||
| 632 | P | 60.7 | Low | 67.7 | Low | 106 Ų | 106 | 65.7 Ų | 65.7 | 69% | 0.688 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -65.2 | -27.4 | -178.8 | 25.7 | -35 | 0 | 0 | 0 | 114.3 | T636 | P632-T636 PolarHBondContact O-N 2.86Å; P632-T636 PolarHBondContact O-OG1 2.6Å |
| 633 | S | 58.3 | Low | 68.1 | Low | 63 Ų | 63 | 64.8 Ų | 64.8 | 44% | 0.441 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -74.9 | -38.8 | 174.9 | 58.9 | 0 | 0 | 0 | 0 | 112.3 | N631 R635 T636 Q637 | N631-S633 VanDerWaalsContact C-N 3.31Å; N631-S633 PolarHBondContact ND2-OG 3.05Å; N631-S633 PolarHBondContact O-N 3.35Å; N631-S633 PolarHBondContact OD1-N 3.47Å; N631-S633 PolarHBondContact OD1-OG 2.89Å; N631-S633 VanDerWaalsContact OD1-OG 3.06Å; S633-R635 VanDerWaalsContact C-N 3.32Å; S633-R635 PolarHBondContact O-N 3.33Å; S633-T636 PolarHBondContact O-OG1 3.05Å; S633-Q637 WeakPolarHBondContact O-CG 3.27Å; S633-Q637 PolarHBondContact O-N 2.75Å |
| 634 | S | 60.3 | Low | 68.3 | Low | 13 Ų | 13 | 63.2 Ų | 63.2 | 9% | 0.091 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.9 | -38.3 | 170.6 | -61.5 | 0 | 0 | 0 | 0 | 112.4 | F569 N631 Q637 Y638 | F569-S634 VanDerWaalsContact CD1-OG 3.28Å; F569-S634 WeakPolarHBondContact CD1-OG 3.48Å; F569-S634 VanDerWaalsContact CE1-CB 3.45Å; F569-S634 VanDerWaalsContact CE1-OG 3.29Å; F569-S634 WeakPolarHBondContact CE1-OG 3.43Å; F569-S634 VanDerWaalsContact CZ-CB 3.5Å; F569-S634 WeakPolarHBondContact CZ-O 3.39Å; N631-S634 PolarHBondContact ND2-OG 3.38Å; N631-S634 PolarHBondContact O-N 3.05Å; S634-Q637 PolarHBondContact O-N 3.48Å; S634-Y638 PolarHBondContact O-N 3.01Å; S634-Y638 VanDerWaalsContact O-N 3.07Å |
| 635 | R | 69.6 | Low | 68.7 | Low | 103 Ų | 103 | 64.1 Ų | 64.1 | 39% | 0.389 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.1 | -47 | 179.4 | 175.5 | 157 | -83 | 135.3 | -5.5 | 113.3 | V628 N631 S633 Q637 Y638 E639 | V628-R635 VanDerWaalsContact CG1-CA 3.48Å; V628-R635 HydrophobicContact CG1-CB 3.59Å; V628-R635 HydrophobicContact CG1-CG 4.09Å; N631-R635 PolarHBondContact O-N 3.12Å; S633-R635 VanDerWaalsContact C-N 3.32Å; S633-R635 PolarHBondContact O-N 3.33Å; R635-Q637 PolarHBondContact O-N 2.98Å; R635-Y638 PolarHBondContact O-N 3.39Å; R635-E639 HydrophobicContact CG-CG 4.49Å; R635-E639 WeakPolarHBondContact CG-OE1 3.36Å; R635-E639 WeakPolarHBondContact O-CG 3.33Å; R635-E639 PolarHBondContact O-N 3.26Å |
| 636 | T | 68.1 | Low | 69 | Low | 89 Ų | 89 | 63 Ų | 63 | 55% | 0.546 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.4 | -25.5 | 177.6 | 42.3 | 0 | 0 | 0 | 0 | 113.3 | P632 S633 | P632-T636 PolarHBondContact O-N 2.86Å; P632-T636 PolarHBondContact O-OG1 2.6Å; S633-T636 PolarHBondContact O-OG1 3.05Å |
| 637 | Q | 68.8 | Low | 69.6 | Low | 70 Ų | 70 | 61.4 Ų | 61.4 | 33% | 0.327 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -72 | -44.2 | 170 | -72 | 175.3 | 6.2 | 0 | 0 | 112.5 | Y573 S633 S634 R635 K640 L641 | Y573-Q637 HydrophobicContact CE1-CB 4.41Å; Y573-Q637 HydrophobicContact CE2-CB 3.87Å; S633-Q637 WeakPolarHBondContact O-CG 3.27Å; S633-Q637 PolarHBondContact O-N 2.75Å; S634-Q637 PolarHBondContact O-N 3.48Å; R635-Q637 PolarHBondContact O-N 2.98Å; Q637-K640 PolarHBondContact O-N 3.02Å; Q637-L641 PolarHBondContact O-N 3.25Å |
| 638 | Y | 75.1 | Confident | 70.1 | Confident | 22 Ų | 22 | 59 Ų | 59 | 9% | 0.086 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.4 | -46.1 | 176.6 | 176.6 | -108.9 | 0 | 0 | 0 | 112.7 | L621 L624 E625 V628 S634 R635 K640 L641 C642 | L621-Y638 HydrophobicContact CD1-CE2 4.43Å; L621-Y638 HydrophobicContact CG-CE2 4.15Å; L621-Y638 WeakPolarHBondContact O-CE2 3.3Å; L621-Y638 PolarHBondContact O-OH 2.87Å; L624-Y638 HydrophobicContact CB-CD2 4.3Å; L624-Y638 HydrophobicContact CB-CE2 4.21Å; L624-Y638 HydrophobicContact CD2-CD2 3.85Å; L624-Y638 HydrophobicContact CD2-CE2 4.4Å; L624-Y638 HydrophobicContact CG-CD2 3.95Å; L624-Y638 HydrophobicContact CG-CE2 4.37Å; E625-Y638 HydrophobicContact CB-CE1 4.05Å; E625-Y638 HydrophobicContact CB-CE2 4.22Å; E625-Y638 WeakPolarHBondContact CB-OH 3.41Å; E625-Y638 HydrophobicContact CG-CE1 3.71Å; E625-Y638 PolarHBondContact OE2-OH 3.19Å; V628-Y638 HydrophobicContact CG2-CD1 4.42Å; V628-Y638 HydrophobicContact CG2-CD2 4.3Å; V628-Y638 HydrophobicContact CG2-CG 3.88Å; S634-Y638 PolarHBondContact O-N 3.01Å; S634-Y638 VanDerWaalsContact O-N 3.07Å; R635-Y638 PolarHBondContact O-N 3.39Å; Y638-K640 VanDerWaalsContact C-N 3.28Å; Y638-K640 PolarHBondContact O-N 3.43Å; Y638-L641 WeakPolarHBondContact O-CB 3.17Å; Y638-L641 PolarHBondContact O-N 2.89Å; Y638-L641 VanDerWaalsContact O-N 3.14Å; Y638-C642 VanDerWaalsContact CZ-SG 3.52Å; Y638-C642 PolarHBondContact O-N 3.3Å; Y638-C642 VanDerWaalsContact O-N 3.13Å; Y638-C642 PolarHBondContact O-SG 2.91Å |
| 639 | E | 75.1 | Confident | 70.8 | Confident | 103 Ų | 103 | 61.8 Ų | 61.8 | 48% | 0.481 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58 | -40.2 | 179.2 | -72 | 161.4 | -177.8 | 0 | 0 | 112 | R635 C642 A643 | R635-E639 HydrophobicContact CG-CG 4.49Å; R635-E639 WeakPolarHBondContact CG-OE1 3.36Å; R635-E639 WeakPolarHBondContact O-CG 3.33Å; R635-E639 PolarHBondContact O-N 3.26Å; E639-C642 PolarHBondContact O-N 3.38Å; E639-A643 PolarHBondContact O-N 3.3Å |
| 640 | K | 77.6 | Confident | 72 | Confident | 142 Ų | 142 | 64.4 Ų | 64.4 | 62% | 0.617 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -66.1 | -40.8 | 176.7 | -171.5 | 176 | -179.3 | -179.9 | 0 | 112.6 | Q637 Y638 C642 A643 D644 | Q637-K640 PolarHBondContact O-N 3.02Å; Y638-K640 VanDerWaalsContact C-N 3.28Å; Y638-K640 PolarHBondContact O-N 3.43Å; K640-C642 VanDerWaalsContact C-N 3.31Å; K640-C642 PolarHBondContact O-N 3.42Å; K640-A643 PolarHBondContact O-N 2.98Å; K640-D644 PolarHBondContact O-N 3.41Å; K640-D644 VanDerWaalsContact O-N 3.16Å |
| 641 | L | 78.6 | Confident | 73.1 | Confident | 4 Ų | 4 | 67.2 Ų | 67.2 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.3 | -38.5 | 177.7 | -169.8 | 68.7 | 0 | 0 | 0 | 111.8 | Y573 I576 L577 L580 L621 L624 Q637 Y638 D644 W645 | Y573-L641 HydrophobicContact CD2-CD2 4.15Å; Y573-L641 HydrophobicContact CE2-CB 4.33Å; Y573-L641 HydrophobicContact CE2-CD2 4.24Å; I576-L641 HydrophobicContact CB-CD2 4.08Å; I576-L641 HydrophobicContact CD1-CD2 4.49Å; I576-L641 HydrophobicContact CG2-CD1 4.3Å; I576-L641 HydrophobicContact CG2-CD2 3.88Å; I576-L641 HydrophobicContact CG2-CG 4.34Å; L577-L641 HydrophobicContact CD2-CD1 3.63Å; L577-L641 HydrophobicContact CG-CD1 4.05Å; L580-L641 HydrophobicContact CD1-CD1 3.64Å; L621-L641 HydrophobicContact CD1-CD2 3.92Å; L621-L641 HydrophobicContact CD1-CG 4.04Å; L624-L641 HydrophobicContact CD2-CD2 3.74Å; Q637-L641 PolarHBondContact O-N 3.25Å; Y638-L641 WeakPolarHBondContact O-CB 3.17Å; Y638-L641 PolarHBondContact O-N 2.89Å; Y638-L641 VanDerWaalsContact O-N 3.14Å; L641-D644 PolarHBondContact O-N 3.27Å; L641-W645 PolarHBondContact O-N 3.05Å; L641-W645 VanDerWaalsContact O-N 3.11Å |
| 642 | C | 74.8 | Confident | 74.1 | Confident | 28 Ų | 28 | 64.9 Ų | 64.9 | 19% | 0.189 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.9 | -37.6 | 177.3 | -61.7 | 0 | 0 | 0 | 0 | 112.9 | L621 Y638 E639 K640 S646 | L621-C642 HydrophobicContact CD2-CB 4.34Å; Y638-C642 VanDerWaalsContact CZ-SG 3.52Å; Y638-C642 PolarHBondContact O-N 3.3Å; Y638-C642 VanDerWaalsContact O-N 3.13Å; Y638-C642 PolarHBondContact O-SG 2.91Å; E639-C642 PolarHBondContact O-N 3.38Å; K640-C642 VanDerWaalsContact C-N 3.31Å; K640-C642 PolarHBondContact O-N 3.42Å; C642-S646 WeakPolarHBondContact O-CB 3.36Å; C642-S646 PolarHBondContact O-N 2.99Å; C642-S646 PolarHBondContact O-OG 3.03Å |
| 643 | A | 77.6 | Confident | 75 | Confident | 61 Ų | 61 | 62.6 Ų | 62.6 | 50% | 0.504 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.8 | -46.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E639 K640 W645 S646 E647 | E639-A643 PolarHBondContact O-N 3.3Å; K640-A643 PolarHBondContact O-N 2.98Å; A643-W645 VanDerWaalsContact C-N 3.3Å; A643-W645 PolarHBondContact O-N 3.07Å; A643-S646 PolarHBondContact O-N 3.28Å; A643-E647 PolarHBondContact O-N 3.14Å; A643-E647 VanDerWaalsContact O-N 3.15Å |
| 644 | D | 75.9 | Confident | 76.2 | Confident | 60 Ų | 60 | 63.2 Ų | 63.2 | 32% | 0.321 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63 | -31.9 | 179.4 | -103.1 | 62.2 | 0 | 0 | 0 | 113.2 | R584 K640 L641 | R584-D644 IonicContact CZ-OD2 3.99Å; R584-D644 VanDerWaalsContact CZ-OD2 3.31Å; R584-D644 IonicContact NH1-OD2 3.72Å; R584-D644 PolarHBondContact NH1-OD2 3.39Å; R584-D644 PolarHBondContact NH2-O 3.5Å; R584-D644 IonicContact NH2-OD2 2.92Å; R584-D644 PolarHBondContact NH2-OD2 3.35Å; K640-D644 PolarHBondContact O-N 3.41Å; K640-D644 VanDerWaalsContact O-N 3.16Å; L641-D644 PolarHBondContact O-N 3.27Å |
| 645 | W | 80.5 | Confident | 77.1 | Confident | 21 Ų | 21 | 65.7 Ų | 65.7 | 8% | 0.08 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -70.6 | -46.6 | 172.8 | -165.7 | -74.7 | 0 | 0 | 0 | 112 | I576 L580 L614 L641 A643 E647 L648 H649 | I576-W645 HydrophobicContact CG2-CE3 4.42Å; I576-W645 HydrophobicContact CG2-CZ3 4.16Å; L580-W645 HydrophobicContact CD1-CE3 4.07Å; L580-W645 HydrophobicContact CD2-CD2 4.15Å; L580-W645 HydrophobicContact CD2-CE3 3.53Å; L580-W645 HydrophobicContact CD2-CZ3 3.9Å; L580-W645 HydrophobicContact CG-CE3 3.8Å; L580-W645 HydrophobicContact CG-CZ3 3.97Å; L614-W645 HydrophobicContact CD1-CD2 4.38Å; L614-W645 HydrophobicContact CD1-CH2 4.08Å; L614-W645 HydrophobicContact CD1-CZ2 3.61Å; L614-W645 HydrophobicContact CG-CZ2 3.98Å; L614-W645 WeakPolarHBondContact O-CZ2 3.34Å; L614-W645 PolarHBondContact O-NE1 3.33Å; L614-W645 VanDerWaalsContact O-NE1 3.1Å; L641-W645 PolarHBondContact O-N 3.05Å; L641-W645 VanDerWaalsContact O-N 3.11Å; A643-W645 VanDerWaalsContact C-N 3.3Å; A643-W645 PolarHBondContact O-N 3.07Å; W645-E647 PolarHBondContact O-N 3.01Å; W645-L648 WeakPolarHBondContact O-CB 3.5Å; W645-L648 PolarHBondContact O-N 3.31Å; W645-H649 PolarHBondContact O-N 2.76Å; W645-H649 VanDerWaalsContact O-N 3.13Å |
| 646 | S | 76 | Confident | 77.7 | Confident | 77 Ų | 77 | 61.6 Ų | 61.6 | 54% | 0.538 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.6 | -41.2 | -173.5 | -58.5 | 0 | 0 | 0 | 0 | 112.7 | C642 A643 L648 H649 R650 | C642-S646 WeakPolarHBondContact O-CB 3.36Å; C642-S646 PolarHBondContact O-N 2.99Å; C642-S646 PolarHBondContact O-OG 3.03Å; A643-S646 PolarHBondContact O-N 3.28Å; S646-L648 VanDerWaalsContact C-N 3.32Å; S646-L648 PolarHBondContact O-N 2.67Å; S646-H649 PolarHBondContact O-N 3.01Å; S646-R650 PolarHBondContact O-N 2.85Å |
| 647 | E | 80.1 | Confident | 78.3 | Confident | 65 Ų | 65 | 62.3 Ų | 62.3 | 30% | 0.304 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67.4 | -32.3 | 175.6 | 169.1 | 58.6 | -174.7 | 0 | 0 | 112.4 | A643 W645 R650 R651 | A643-E647 PolarHBondContact O-N 3.14Å; A643-E647 VanDerWaalsContact O-N 3.15Å; W645-E647 PolarHBondContact O-N 3.01Å; E647-R650 IonicContact OE1-CZ 3.99Å; E647-R650 IonicContact OE1-NH2 3.2Å; E647-R650 PolarHBondContact OE1-NH2 3.39Å; E647-R650 IonicContact OE2-CZ 3.39Å; E647-R650 VanDerWaalsContact OE2-CZ 3.23Å; E647-R650 IonicContact OE2-NE 2.65Å; E647-R650 PolarHBondContact OE2-NE 2.91Å; E647-R650 IonicContact OE2-NH2 2.64Å; E647-R650 PolarHBondContact OE2-NH2 2.96Å; E647-R651 WeakPolarHBondContact O-CG 3.37Å; E647-R651 PolarHBondContact O-N 3.3Å; E647-R651 IonicContact OE1-CZ 3.76Å; E647-R651 IonicContact OE1-NE 2.75Å; E647-R651 PolarHBondContact OE1-NE 3.01Å; E647-R651 IonicContact OE1-NH2 2.81Å; E647-R651 PolarHBondContact OE1-NH2 3.25Å |
| 648 | L | 78.5 | Confident | 78.9 | Confident | 8 Ų | 8 | 62.2 Ų | 62.2 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.8 | -43.1 | 177.8 | -165.8 | 59.3 | 0 | 0 | 0 | 110.9 | L580 F583 R584 L587 L614 W645 S646 R650 R651 V652 | L580-L648 HydrophobicContact CD2-CD2 3.71Å; F583-L648 HydrophobicContact CB-CD2 4.46Å; F583-L648 HydrophobicContact CD1-CD1 4.39Å; F583-L648 HydrophobicContact CD1-CD2 3.62Å; F583-L648 HydrophobicContact CD1-CG 3.97Å; F583-L648 HydrophobicContact CE1-CD2 4.24Å; F583-L648 HydrophobicContact CE1-CG 4.13Å; F583-L648 HydrophobicContact CG-CD2 4.28Å; R584-L648 HydrophobicContact CG-CD1 3.81Å; R584-L648 HydrophobicContact CG-CD2 3.96Å; L587-L648 HydrophobicContact CD2-CD1 4.17Å; L614-L648 HydrophobicContact CD1-CD2 4.23Å; L614-L648 HydrophobicContact CD2-CB 4.22Å; L614-L648 HydrophobicContact CD2-CG 4.18Å; W645-L648 WeakPolarHBondContact O-CB 3.5Å; W645-L648 PolarHBondContact O-N 3.31Å; S646-L648 VanDerWaalsContact C-N 3.32Å; S646-L648 PolarHBondContact O-N 2.67Å; L648-R650 PolarHBondContact O-N 3.42Å; L648-R651 PolarHBondContact O-N 3.43Å; L648-R651 VanDerWaalsContact O-N 3.15Å; L648-V652 PolarHBondContact O-N 3.42Å |
| 649 | H | 77.6 | Confident | 79.2 | Confident | 58 Ų | 58 | 61.4 Ų | 61.4 | 27% | 0.269 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 175.9 | -168.1 | -41.8 | 0 | 0 | 0 | 112.4 | L614 W645 S646 R651 V652 T653 | L614-H649 HydrophobicContact CD2-CB 3.67Å; L614-H649 VanDerWaalsContact CD2-N 3.35Å; W645-H649 PolarHBondContact O-N 2.76Å; W645-H649 VanDerWaalsContact O-N 3.13Å; S646-H649 PolarHBondContact O-N 3.01Å; H649-R651 VanDerWaalsContact C-N 3.26Å; H649-R651 PolarHBondContact O-N 3.3Å; H649-V652 PolarHBondContact O-N 3.26Å; H649-T653 PolarHBondContact ND1-OG1 2.85Å; H649-T653 PolarHBondContact O-N 2.9Å; H649-T653 PolarHBondContact O-OG1 3.48Å; H649-T653 VanDerWaalsContact O-OG1 3.09Å |
| 650 | R | 81.1 | Confident | 79.5 | Confident | 135 Ų | 135 | 60 Ų | 60 | 51% | 0.509 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.7 | -36.4 | 176.2 | -167.6 | -169.5 | 64.3 | 73.5 | 2.6 | 112.4 | S646 E647 L648 V654 | S646-R650 PolarHBondContact O-N 2.85Å; E647-R650 IonicContact OE1-CZ 3.99Å; E647-R650 IonicContact OE1-NH2 3.2Å; E647-R650 PolarHBondContact OE1-NH2 3.39Å; E647-R650 IonicContact OE2-CZ 3.39Å; E647-R650 VanDerWaalsContact OE2-CZ 3.23Å; E647-R650 IonicContact OE2-NE 2.65Å; E647-R650 PolarHBondContact OE2-NE 2.91Å; E647-R650 IonicContact OE2-NH2 2.64Å; E647-R650 PolarHBondContact OE2-NH2 2.96Å; L648-R650 PolarHBondContact O-N 3.42Å; R650-V654 WeakPolarHBondContact O-CG2 3.25Å; R650-V654 PolarHBondContact O-N 3.24Å |
| 651 | R | 80.9 | Confident | 79.6 | Confident | 134 Ų | 134 | 56.7 Ų | 56.7 | 51% | 0.506 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -71.1 | -43.7 | 179.1 | -70.3 | 176.1 | -170.8 | -162.3 | 3.7 | 112.9 | E647 L648 H649 V654 K655 | E647-R651 WeakPolarHBondContact O-CG 3.37Å; E647-R651 PolarHBondContact O-N 3.3Å; E647-R651 IonicContact OE1-CZ 3.76Å; E647-R651 IonicContact OE1-NE 2.75Å; E647-R651 PolarHBondContact OE1-NE 3.01Å; E647-R651 IonicContact OE1-NH2 2.81Å; E647-R651 PolarHBondContact OE1-NH2 3.25Å; L648-R651 PolarHBondContact O-N 3.43Å; L648-R651 VanDerWaalsContact O-N 3.15Å; H649-R651 VanDerWaalsContact C-N 3.26Å; H649-R651 PolarHBondContact O-N 3.3Å; R651-V654 PolarHBondContact O-N 3.45Å; R651-K655 PolarHBondContact O-N 3.37Å; R651-K655 VanDerWaalsContact O-N 3.17Å |
| 652 | V | 80.8 | Confident | 79.8 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.7 | -47 | 180 | -175.3 | 0 | 0 | 0 | 0 | 110.7 | F583 L587 L610 Q611 L648 H649 V654 K655 V656 | F583-V652 HydrophobicContact CE1-CG2 3.68Å; F583-V652 HydrophobicContact CZ-CG2 3.89Å; L587-V652 HydrophobicContact CD1-CG2 4.02Å; L587-V652 HydrophobicContact CD2-CG2 3.84Å; L610-V652 HydrophobicContact CB-CG1 4.4Å; Q611-V652 HydrophobicContact CB-CG1 3.88Å; L648-V652 PolarHBondContact O-N 3.42Å; H649-V652 PolarHBondContact O-N 3.26Å; V652-V654 VanDerWaalsContact C-N 3.29Å; V652-V654 PolarHBondContact O-N 2.99Å; V652-K655 PolarHBondContact O-N 3.35Å; V652-V656 HydrophobicContact CG1-CG2 4.44Å; V652-V656 PolarHBondContact O-N 3.2Å |
| 653 | T | 80.7 | Confident | 80.2 | Confident | 58 Ų | 58 | 56.3 Ų | 56.3 | 36% | 0.356 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.2 | -38.1 | 179.8 | -54.6 | 0 | 0 | 0 | 0 | 112.7 | H649 | H649-T653 PolarHBondContact ND1-OG1 2.85Å; H649-T653 PolarHBondContact O-N 2.9Å; H649-T653 PolarHBondContact O-OG1 3.48Å; H649-T653 VanDerWaalsContact O-OG1 3.09Å |
| 654 | V | 81.7 | Confident | 80.3 | Confident | 75 Ų | 75 | 56.8 Ų | 56.8 | 46% | 0.455 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.7 | -42.4 | 174.7 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | R650 R651 V652 V656 Q657 D658 | R650-V654 WeakPolarHBondContact O-CG2 3.25Å; R650-V654 PolarHBondContact O-N 3.24Å; R651-V654 PolarHBondContact O-N 3.45Å; V652-V654 VanDerWaalsContact C-N 3.29Å; V652-V654 PolarHBondContact O-N 2.99Å; V654-V656 PolarHBondContact O-N 3.37Å; V654-Q657 PolarHBondContact O-N 2.94Å; V654-D658 PolarHBondContact O-N 2.84Å |
| 655 | K | 80.2 | Confident | 80.5 | Confident | 65 Ų | 65 | 55.3 Ų | 55.3 | 28% | 0.283 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68.3 | -31.4 | -179.3 | -78.2 | -66.6 | -167.1 | 163.5 | 0 | 114.2 | D591 R651 V652 C659 | D591-K655 WeakPolarHBondContact OD1-CD 3.48Å; D591-K655 VanDerWaalsContact OD1-CE 3.24Å; D591-K655 WeakPolarHBondContact OD1-CE 3.23Å; D591-K655 IonicContact OD1-NZ 2.66Å; D591-K655 PolarHBondContact OD1-NZ 3.26Å; D591-K655 VanDerWaalsContact OD2-CE 3.23Å; D591-K655 WeakPolarHBondContact OD2-CE 3.37Å; D591-K655 IonicContact OD2-NZ 2.81Å; D591-K655 PolarHBondContact OD2-NZ 3.38Å; R651-K655 PolarHBondContact O-N 3.37Å; R651-K655 VanDerWaalsContact O-N 3.17Å; V652-K655 PolarHBondContact O-N 3.35Å; K655-C659 PolarHBondContact O-N 2.8Å; K655-C659 VanDerWaalsContact O-N 3.16Å; K655-C659 PolarHBondContact O-SG 2.85Å |
| 656 | V | 82.8 | Confident | 80.5 | Confident | 17 Ų | 17 | 55 Ų | 55 | 10% | 0.103 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.3 | -49.3 | 169.5 | 168.9 | 0 | 0 | 0 | 0 | 110.3 | L604 M607 L608 Q611 V652 V654 C659 D660 | L604-V656 HydrophobicContact CD1-CG1 4.14Å; L604-V656 WeakPolarHBondContact CD1-O 3.49Å; M607-V656 HydrophobicContact CB-CG2 3.71Å; L608-V656 HydrophobicContact CD2-CG1 3.59Å; L608-V656 HydrophobicContact CD2-CG2 4.45Å; L608-V656 HydrophobicContact CG-CG1 4.1Å; Q611-V656 HydrophobicContact CB-CG2 4.42Å; V652-V656 HydrophobicContact CG1-CG2 4.44Å; V652-V656 PolarHBondContact O-N 3.2Å; V654-V656 PolarHBondContact O-N 3.37Å; V656-C659 PolarHBondContact O-N 2.93Å; V656-D660 PolarHBondContact O-N 3.03Å; V656-D660 VanDerWaalsContact O-N 3.12Å |
| 657 | Q | 80.8 | Confident | 80.8 | Confident | 104 Ų | 104 | 55.8 Ų | 55.8 | 49% | 0.486 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.6 | -41.8 | 179.9 | -167.7 | 62.3 | 63.6 | 0 | 0 | 112.5 | V654 C659 D660 D661 | V654-Q657 PolarHBondContact O-N 2.94Å; Q657-C659 PolarHBondContact O-N 3.24Å; Q657-D660 PolarHBondContact O-N 2.9Å; Q657-D661 PolarHBondContact NE2-OD1 2.84Å; Q657-D661 VanDerWaalsContact NE2-OD1 3.17Å; Q657-D661 PolarHBondContact O-N 3.15Å; Q657-D661 VanDerWaalsContact O-N 3.16Å |
| 658 | D | 80.5 | Confident | 80.8 | Confident | 68 Ų | 68 | 55.9 Ų | 55.9 | 36% | 0.364 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -55.7 | -37 | 174.2 | -83.5 | -26.8 | 0 | 0 | 0 | 112.1 | V654 I662 R733 | V654-D658 PolarHBondContact O-N 2.84Å; D658-I662 VanDerWaalsContact O-CD1 3.31Å; D658-I662 WeakPolarHBondContact O-CD1 3.28Å; D658-I662 WeakPolarHBondContact O-CG1 3.47Å; D658-I662 PolarHBondContact O-N 3.47Å; D658-R733 PolarHBondContact O-NH2 3.25Å |
| 659 | C | 80.8 | Confident | 81 | Confident | 5 Ų | 5 | 55.6 Ų | 55.6 | 3% | 0.034 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -75.6 | -37.3 | 180 | -67.7 | 0 | 0 | 0 | 0 | 113 | L604 K655 V656 Q657 I662 V663 | L604-C659 HydrophobicContact CB-CB 4.21Å; L604-C659 HydrophobicContact CD1-CB 3.92Å; K655-C659 PolarHBondContact O-N 2.8Å; K655-C659 VanDerWaalsContact O-N 3.16Å; K655-C659 PolarHBondContact O-SG 2.85Å; V656-C659 PolarHBondContact O-N 2.93Å; Q657-C659 PolarHBondContact O-N 3.24Å; C659-I662 WeakPolarHBondContact O-CB 3.42Å; C659-I662 PolarHBondContact O-N 2.68Å; C659-V663 PolarHBondContact O-N 3.15Å; C659-V663 VanDerWaalsContact O-N 3.11Å |
| 660 | D | 81.1 | Confident | 81.2 | Confident | 74 Ų | 74 | 56.9 Ų | 56.9 | 40% | 0.396 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.3 | -46.6 | 176.9 | -168.5 | 47.2 | 0 | 0 | 0 | 110.9 | L604 V656 Q657 I662 V663 S664 | L604-D660 HydrophobicContact CD1-CB 4.07Å; L604-D660 HydrophobicContact CD2-CB 4.16Å; V656-D660 PolarHBondContact O-N 3.03Å; V656-D660 VanDerWaalsContact O-N 3.12Å; Q657-D660 PolarHBondContact O-N 2.9Å; D660-I662 VanDerWaalsContact C-N 3.27Å; D660-I662 PolarHBondContact O-N 3.02Å; D660-V663 PolarHBondContact O-N 2.75Å; D660-V663 VanDerWaalsContact O-N 3.13Å; D660-S664 PolarHBondContact O-N 3.27Å |
| 661 | D | 80.5 | Confident | 81.1 | Confident | 72 Ų | 72 | 51.9 Ų | 51.9 | 39% | 0.385 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.2 | -35.1 | 172.9 | -75.6 | 23.7 | 0 | 0 | 0 | 112.9 | Q657 D665 R733 | Q657-D661 PolarHBondContact NE2-OD1 2.84Å; Q657-D661 VanDerWaalsContact NE2-OD1 3.17Å; Q657-D661 PolarHBondContact O-N 3.15Å; Q657-D661 VanDerWaalsContact O-N 3.16Å; D661-D665 WeakPolarHBondContact O-CB 3.39Å; D661-D665 PolarHBondContact O-N 3.03Å; D661-R733 PolarHBondContact O-NH1 3.01Å |
| 662 | I | 82 | Confident | 80.8 | Confident | 20 Ų | 20 | 47.2 Ų | 47.2 | 10% | 0.103 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.5 | -34 | 177.9 | -73.9 | 166.3 | 0 | 0 | 0 | 112 | K600 D658 C659 D660 R733 | K600-I662 HydrophobicContact CD-CG2 3.71Å; K600-I662 HydrophobicContact CG-CG2 3.98Å; D658-I662 VanDerWaalsContact O-CD1 3.31Å; D658-I662 WeakPolarHBondContact O-CD1 3.28Å; D658-I662 WeakPolarHBondContact O-CG1 3.47Å; D658-I662 PolarHBondContact O-N 3.47Å; C659-I662 WeakPolarHBondContact O-CB 3.42Å; C659-I662 PolarHBondContact O-N 2.68Å; D660-I662 VanDerWaalsContact C-N 3.27Å; D660-I662 PolarHBondContact O-N 3.02Å; I662-R733 HydrophobicContact CG1-CB 4.23Å; I662-R733 VanDerWaalsContact CG1-NE 3.3Å; I662-R733 HydrophobicContact CG2-CB 4.49Å |
| 663 | V | 83.9 | Confident | 80.8 | Confident | 5 Ų | 5 | 47.3 Ų | 47.3 | 3% | 0.03 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -72.4 | -53 | 176.4 | 169.4 | 0 | 0 | 0 | 0 | 110 | K600 K601 C659 D660 D665 H666 E667 | K600-V663 HydrophobicContact CB-CG2 3.88Å; K601-V663 HydrophobicContact CD-CG1 4.16Å; K601-V663 HydrophobicContact CG-CB 4.47Å; K601-V663 HydrophobicContact CG-CG1 3.59Å; K601-V663 HydrophobicContact CG-CG2 3.95Å; C659-V663 PolarHBondContact O-N 3.15Å; C659-V663 VanDerWaalsContact O-N 3.11Å; D660-V663 PolarHBondContact O-N 2.75Å; D660-V663 VanDerWaalsContact O-N 3.13Å; V663-D665 VanDerWaalsContact C-N 3.34Å; V663-D665 PolarHBondContact O-N 3.35Å; V663-H666 WeakPolarHBondContact O-CA 3.25Å; V663-H666 WeakPolarHBondContact O-CB 3.47Å; V663-H666 PolarHBondContact O-N 2.84Å; V663-E667 PolarHBondContact O-N 2.67Å; V663-E667 VanDerWaalsContact O-N 3.09Å |
| 664 | S | 80.4 | Confident | 80.9 | Confident | 71 Ų | 71 | 47.8 Ų | 47.8 | 50% | 0.497 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.1 | -42.7 | -177 | -173.2 | 0 | 0 | 0 | 0 | 112.5 | D660 H666 E667 C668 | D660-S664 PolarHBondContact O-N 3.27Å; S664-H666 VanDerWaalsContact C-N 3.25Å; S664-H666 PolarHBondContact O-N 3.18Å; S664-E667 PolarHBondContact O-N 2.9Å; S664-C668 PolarHBondContact O-N 2.86Å |
| 665 | D | 79.6 | Confident | 80.7 | Confident | 29 Ų | 29 | 48.6 Ų | 48.6 | 16% | 0.155 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.2 | -38.9 | 172.9 | -87.6 | -17.2 | 0 | 0 | 0 | 113 | D661 V663 K729 V730 R733 | D661-D665 WeakPolarHBondContact O-CB 3.39Å; D661-D665 PolarHBondContact O-N 3.03Å; V663-D665 VanDerWaalsContact C-N 3.34Å; V663-D665 PolarHBondContact O-N 3.35Å; D665-K729 VanDerWaalsContact CG-NZ 3.31Å; D665-K729 WeakPolarHBondContact OD1-CE 3.34Å; D665-K729 IonicContact OD1-NZ 2.78Å; D665-K729 PolarHBondContact OD1-NZ 2.95Å; D665-K729 WeakPolarHBondContact OD2-CE 3.5Å; D665-K729 IonicContact OD2-NZ 3.19Å; D665-K729 PolarHBondContact OD2-NZ 3.5Å; D665-V730 HydrophobicContact CB-CG2 4.4Å; D665-V730 WeakPolarHBondContact O-CG2 3.45Å; D665-R733 WeakPolarHBondContact OD2-CD 3.41Å; D665-R733 IonicContact OD2-CZ 2.78Å; D665-R733 IonicContact OD2-NH1 3.15Å; D665-R733 PolarHBondContact OD2-NH1 3.09Å |
| 666 | H | 81.1 | Confident | 80.5 | Confident | 14 Ų | 14 | 45.8 Ų | 45.8 | 7% | 0.065 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -77 | -35.4 | -177.2 | -158.4 | 174.1 | 0 | 0 | 0 | 111.8 | I597 K600 V663 S664 H670 V730 | I597-H666 HydrophobicContact CD1-CB 3.81Å; I597-H666 HydrophobicContact CG1-CB 4.03Å; K600-H666 PolarHBondContact NZ-ND1 2.73Å; V663-H666 WeakPolarHBondContact O-CA 3.25Å; V663-H666 WeakPolarHBondContact O-CB 3.47Å; V663-H666 PolarHBondContact O-N 2.84Å; S664-H666 VanDerWaalsContact C-N 3.25Å; S664-H666 PolarHBondContact O-N 3.18Å; H666-H670 WeakPolarHBondContact O-CB 3.49Å; H666-H670 PolarHBondContact O-N 2.72Å; H666-H670 VanDerWaalsContact O-N 3.14Å; H666-V730 HydrophobicContact CB-CG1 4.05Å; H666-V730 VanDerWaalsContact CD2-CG1 3.45Å; H666-V730 WeakPolarHBondContact CD2-CG1 3.38Å |
| 667 | E | 81.9 | Confident | 80.3 | Confident | 93 Ų | 93 | 46.4 Ų | 46.4 | 44% | 0.435 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66 | -44.1 | 179.5 | -71.4 | -166.4 | 112.9 | 0 | 0 | 111.9 | I597 K601 V663 S664 H670 G671 | I597-E667 HydrophobicContact CD1-CB 4.32Å; I597-E667 HydrophobicContact CD1-CG 3.58Å; I597-E667 HydrophobicContact CG1-CG 4.27Å; K601-E667 WeakPolarHBondContact CE-OE1 3.48Å; K601-E667 VanDerWaalsContact NZ-CD 3.25Å; K601-E667 IonicContact NZ-OE1 2.66Å; K601-E667 PolarHBondContact NZ-OE1 3.2Å; K601-E667 IonicContact NZ-OE2 3.71Å; K601-E667 PolarHBondContact NZ-OE2 2.74Å; V663-E667 PolarHBondContact O-N 2.67Å; V663-E667 VanDerWaalsContact O-N 3.09Å; S664-E667 PolarHBondContact O-N 2.9Å; E667-H670 PolarHBondContact O-N 2.74Å; E667-G671 PolarHBondContact O-N 3.41Å |
| 668 | C | 79.9 | Confident | 80.2 | Confident | 67 Ų | 67 | 47 Ų | 47 | 45% | 0.453 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57.7 | -54.1 | 177.4 | -167.1 | 0 | 0 | 0 | 0 | 111.4 | S664 H670 G671 D672 Q726 | S664-C668 PolarHBondContact O-N 2.86Å; C668-H670 VanDerWaalsContact C-N 3.34Å; C668-H670 PolarHBondContact O-N 3.19Å; C668-G671 PolarHBondContact O-N 3.33Å; C668-D672 PolarHBondContact O-N 3.48Å; C668-D672 PolarHBondContact SG-OD2 2.96Å; C668-D672 VanDerWaalsContact SG-OD2 3.38Å; C668-Q726 PolarHBondContact SG-NE2 3.14Å; C668-Q726 VanDerWaalsContact SG-NE2 3.36Å |
| 669 | F | 82.3 | Confident | 80.2 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 1% | 0.013 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.6 | -44.3 | 179.5 | 167.1 | -107.1 | 0 | 0 | 0 | 112.9 | L673 I723 Q726 G727 V730 I742 M746 | F669-L673 HydrophobicContact CE2-CD1 4.07Å; F669-L673 HydrophobicContact CZ-CD1 3.74Å; F669-L673 VanDerWaalsContact O-CB 3.3Å; F669-L673 WeakPolarHBondContact O-CB 3.42Å; F669-L673 PolarHBondContact O-N 3.45Å; F669-I723 HydrophobicContact CD2-CG2 4.25Å; F669-I723 HydrophobicContact CE2-CG2 3.9Å; F669-Q726 HydrophobicContact CB-CB 4.24Å; F669-Q726 HydrophobicContact CD2-CB 4.08Å; F669-G727 VanDerWaalsContact CD2-CA 3.45Å; F669-G727 VanDerWaalsContact CD2-N 3.33Å; F669-V730 HydrophobicContact CB-CG2 3.75Å; F669-V730 HydrophobicContact CD1-CG2 4.39Å; F669-V730 HydrophobicContact CG-CG2 4.17Å; F669-I742 HydrophobicContact CE1-CG1 4.44Å; F669-I742 HydrophobicContact CE1-CG2 3.68Å; F669-I742 HydrophobicContact CZ-CG2 3.81Å; F669-M746 HydrophobicContact CE2-CG 4.11Å; F669-M746 HydrophobicContact CE2-SD 4.39Å; F669-M746 HydrophobicContact CZ-CG 3.9Å; F669-M746 HydrophobicContact CZ-SD 4.29Å |
| 670 | H | 81.4 | Confident | 80 | Confident | 85 Ų | 85 | 46 Ų | 46 | 39% | 0.394 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -68.5 | -38.5 | -178.7 | -170.7 | 70.5 | 0 | 0 | 0 | 112.1 | H666 E667 C668 L674 | H666-H670 WeakPolarHBondContact O-CB 3.49Å; H666-H670 PolarHBondContact O-N 2.72Å; H666-H670 VanDerWaalsContact O-N 3.14Å; E667-H670 PolarHBondContact O-N 2.74Å; C668-H670 VanDerWaalsContact C-N 3.34Å; C668-H670 PolarHBondContact O-N 3.19Å; H670-L674 WeakPolarHBondContact O-CG 3.32Å; H670-L674 PolarHBondContact O-N 3.08Å |
| 671 | G | 79.7 | Confident | 79.9 | Confident | 29 Ų | 29 | 48 Ų | 48 | 30% | 0.299 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.8 | -49 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E667 C668 L674 N675 | E667-G671 PolarHBondContact O-N 3.41Å; C668-G671 PolarHBondContact O-N 3.33Å; G671-L674 PolarHBondContact O-N 3.01Å; G671-N675 PolarHBondContact O-N 3.37Å; G671-N675 VanDerWaalsContact O-N 3.09Å; G671-N675 PolarHBondContact O-ND2 3.28Å |
| 672 | D | 75.6 | Confident | 79.7 | Confident | 36 Ų | 36 | 47.7 Ų | 47.7 | 19% | 0.193 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.7 | -42.6 | -178.1 | -65.5 | -32 | 0 | 0 | 0 | 111.5 | C668 L674 N675 M676 I723 Q726 | C668-D672 PolarHBondContact O-N 3.48Å; C668-D672 PolarHBondContact SG-OD2 2.96Å; C668-D672 VanDerWaalsContact SG-OD2 3.38Å; D672-L674 PolarHBondContact O-N 3.03Å; D672-N675 PolarHBondContact O-N 3.13Å; D672-M676 PolarHBondContact O-N 3.18Å; D672-I723 HydrophobicContact CB-CD1 4.17Å; D672-I723 HydrophobicContact CB-CG1 3.86Å; D672-I723 WeakPolarHBondContact O-CD1 3.31Å; D672-Q726 PolarHBondContact OD2-NE2 3.12Å; D672-Q726 PolarHBondContact OD2-OE1 3.27Å |
| 673 | L | 80.1 | Confident | 79.3 | Confident | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.3 | -44.1 | 175 | -177.1 | 137.1 | 0 | 0 | 0 | 112.7 | F669 N675 M676 E677 I723 D745 L749 | F669-L673 HydrophobicContact CE2-CD1 4.07Å; F669-L673 HydrophobicContact CZ-CD1 3.74Å; F669-L673 VanDerWaalsContact O-CB 3.3Å; F669-L673 WeakPolarHBondContact O-CB 3.42Å; F669-L673 PolarHBondContact O-N 3.45Å; L673-N675 PolarHBondContact O-N 3.44Å; L673-M676 PolarHBondContact O-N 3.38Å; L673-E677 PolarHBondContact O-N 3.08Å; L673-I723 HydrophobicContact CB-CG2 4.2Å; L673-I723 HydrophobicContact CD1-CG2 4.36Å; L673-D745 HydrophobicContact CD1-CB 4.04Å; L673-D745 HydrophobicContact CD2-CB 4.41Å; L673-L749 HydrophobicContact CD1-CD2 4.19Å; L673-L749 HydrophobicContact CG-CD2 4.18Å |
| 674 | L | 81.8 | Confident | 78.9 | Confident | 68 Ų | 68 | 50.6 Ų | 50.6 | 36% | 0.356 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.3 | -33.3 | 177.6 | -75.8 | 176.4 | 0 | 0 | 0 | 113.1 | H670 G671 D672 K678 | H670-L674 WeakPolarHBondContact O-CG 3.32Å; H670-L674 PolarHBondContact O-N 3.08Å; G671-L674 PolarHBondContact O-N 3.01Å; D672-L674 PolarHBondContact O-N 3.03Å; L674-K678 WeakPolarHBondContact O-CD 3.3Å; L674-K678 VanDerWaalsContact O-CG 3.26Å; L674-K678 WeakPolarHBondContact O-CG 3.45Å; L674-K678 PolarHBondContact O-N 3.32Å |
| 675 | N | 79.2 | Confident | 78.5 | Confident | 92 Ų | 92 | 53.6 Ų | 53.6 | 49% | 0.492 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -69.7 | -39.8 | 175.8 | -71.4 | -29.1 | 0 | 0 | 0 | 111.3 | G671 D672 L673 K678 W679 | G671-N675 PolarHBondContact O-N 3.37Å; G671-N675 VanDerWaalsContact O-N 3.09Å; G671-N675 PolarHBondContact O-ND2 3.28Å; D672-N675 PolarHBondContact O-N 3.13Å; L673-N675 PolarHBondContact O-N 3.44Å; N675-K678 PolarHBondContact O-N 2.96Å; N675-W679 PolarHBondContact O-N 2.82Å; N675-W679 VanDerWaalsContact O-N 3.12Å |
| 676 | M | 75.4 | Confident | 78.1 | Confident | 5 Ų | 5 | 56.4 Ų | 56.4 | 3% | 0.025 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.1 | -42.8 | 177 | -168.2 | 63 | 175.6 | 0 | 0 | 112.6 | D672 L673 K678 W679 I680 K716 L720 I723 L749 W753 | D672-M676 PolarHBondContact O-N 3.18Å; L673-M676 PolarHBondContact O-N 3.38Å; M676-K678 VanDerWaalsContact C-N 3.29Å; M676-K678 PolarHBondContact O-N 3.37Å; M676-W679 PolarHBondContact O-N 3.11Å; M676-I680 HydrophobicContact CE-CD1 4.3Å; M676-I680 HydrophobicContact CG-CD1 4.2Å; M676-I680 WeakPolarHBondContact O-CG1 3.48Å; M676-I680 PolarHBondContact O-N 3.05Å; M676-K716 HydrophobicContact CE-CB 4.01Å; M676-K716 WeakPolarHBondContact CE-O 3.47Å; M676-K716 HydrophobicContact SD-CB 4.4Å; M676-L720 HydrophobicContact CE-CB 4Å; M676-L720 HydrophobicContact CE-CD1 4.37Å; M676-I723 HydrophobicContact CB-CD1 3.54Å; M676-I723 HydrophobicContact CG-CD1 3.97Å; M676-L749 HydrophobicContact CB-CD1 4.03Å; M676-L749 HydrophobicContact CB-CD2 4.38Å; M676-L749 HydrophobicContact CG-CD1 3.86Å; M676-L749 HydrophobicContact CG-CD2 4.22Å; M676-L749 HydrophobicContact CG-CG 4.42Å; M676-W753 HydrophobicContact CE-CD2 4.41Å; M676-W753 HydrophobicContact CE-CE3 3.5Å; M676-W753 HydrophobicContact CE-CH2 4.38Å; M676-W753 HydrophobicContact CE-CZ3 3.47Å; M676-W753 VanDerWaalsContact CE-CZ3 3.47Å |
| 677 | E | 79.3 | Confident | 77.5 | Confident | 30 Ų | 30 | 55.8 Ų | 55.8 | 14% | 0.14 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.6 | -40.5 | 173.8 | -76.2 | -156.2 | 172.6 | 0 | 0 | 112.3 | L673 M681 R748 L749 R752 | L673-E677 PolarHBondContact O-N 3.08Å; E677-M681 PolarHBondContact O-N 3.41Å; E677-M681 VanDerWaalsContact O-N 3.08Å; E677-R748 IonicContact OE1-CZ 3.18Å; E677-R748 IonicContact OE1-NE 2.93Å; E677-R748 PolarHBondContact OE1-NE 2.82Å; E677-R748 IonicContact OE1-NH2 2.76Å; E677-R748 PolarHBondContact OE1-NH2 2.87Å; E677-L749 HydrophobicContact CB-CD1 4.39Å; E677-L749 HydrophobicContact CG-CD1 3.58Å; E677-R752 IonicContact OE1-NH1 3.38Å; E677-R752 PolarHBondContact OE1-NH1 2.95Å; E677-R752 IonicContact OE2-CZ 2.84Å; E677-R752 IonicContact OE2-NH1 3.41Å; E677-R752 PolarHBondContact OE2-NH1 3.5Å |
| 678 | K | 76.9 | Confident | 76.8 | Confident | 118 Ų | 118 | 54.8 Ų | 54.8 | 51% | 0.513 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65 | -45.1 | 177.7 | -71.6 | 165.9 | -170 | 165.4 | 0 | 112.2 | L674 N675 M676 M681 V682 | L674-K678 WeakPolarHBondContact O-CD 3.3Å; L674-K678 VanDerWaalsContact O-CG 3.26Å; L674-K678 WeakPolarHBondContact O-CG 3.45Å; L674-K678 PolarHBondContact O-N 3.32Å; N675-K678 PolarHBondContact O-N 2.96Å; M676-K678 VanDerWaalsContact C-N 3.29Å; M676-K678 PolarHBondContact O-N 3.37Å; K678-M681 PolarHBondContact O-N 2.77Å; K678-V682 WeakPolarHBondContact O-CG2 3.48Å; K678-V682 PolarHBondContact O-N 3.19Å; K678-V682 VanDerWaalsContact O-N 3.09Å |
| 679 | W | 80.7 | Confident | 76.1 | Confident | 48 Ų | 48 | 55.2 Ų | 55.2 | 18% | 0.182 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 178.3 | -177.7 | 94.4 | 0 | 0 | 0 | 110.9 | N675 M676 M681 V682 M683 E712 F713 K716 W753 L756 | N675-W679 PolarHBondContact O-N 2.82Å; N675-W679 VanDerWaalsContact O-N 3.12Å; M676-W679 PolarHBondContact O-N 3.11Å; W679-M681 VanDerWaalsContact C-N 3.35Å; W679-M681 PolarHBondContact O-N 2.75Å; W679-V682 PolarHBondContact O-N 3.19Å; W679-M683 HydrophobicContact CD2-CG 3.83Å; W679-M683 HydrophobicContact CE3-CG 4.06Å; W679-M683 HydrophobicContact CG-CG 4.49Å; W679-M683 HydrophobicContact CH2-CB 4.37Å; W679-M683 HydrophobicContact CH2-CE 4.2Å; W679-M683 HydrophobicContact CH2-CG 3.81Å; W679-M683 HydrophobicContact CZ2-CE 3.92Å; W679-M683 HydrophobicContact CZ2-CG 3.57Å; W679-M683 HydrophobicContact CZ2-SD 4.22Å; W679-M683 HydrophobicContact CZ3-CB 4.3Å; W679-M683 HydrophobicContact CZ3-CG 4.02Å; W679-M683 WeakPolarHBondContact O-CB 3.4Å; W679-M683 WeakPolarHBondContact O-CG 3.49Å; W679-M683 PolarHBondContact O-N 3.05Å; W679-E712 HydrophobicContact CZ2-CB 3.78Å; W679-E712 PolarHBondContact NE1-OE2 2.98Å; W679-E712 VanDerWaalsContact NE1-OE2 3.16Å; W679-F713 HydrophobicContact CH2-CD1 4.38Å; W679-F713 HydrophobicContact CH2-CD2 4.31Å; W679-F713 HydrophobicContact CH2-CE1 4.33Å; W679-F713 HydrophobicContact CH2-CE2 4.25Å; W679-F713 HydrophobicContact CH2-CG 4.38Å; W679-F713 HydrophobicContact CH2-CZ 4.28Å; W679-K716 HydrophobicContact CD2-CG 4.09Å; W679-K716 HydrophobicContact CE3-CB 4.47Å; W679-K716 HydrophobicContact CE3-CG 4.33Å; W679-K716 HydrophobicContact CH2-CB 4.25Å; W679-K716 HydrophobicContact CH2-CG 4.06Å; W679-K716 HydrophobicContact CZ2-CB 4.45Å; W679-K716 HydrophobicContact CZ2-CG 3.75Å; W679-K716 HydrophobicContact CZ3-CB 4.28Å; W679-K716 HydrophobicContact CZ3-CG 4.35Å; W679-W753 HydrophobicContact CE3-CZ3 4.14Å; W679-W753 HydrophobicContact CH2-CH2 4.46Å; W679-W753 HydrophobicContact CH2-CZ3 4.13Å; W679-W753 HydrophobicContact CZ3-CE3 4.26Å; W679-W753 HydrophobicContact CZ3-CH2 4.19Å; W679-W753 AromaticContact CZ3-CZ3 3.43Å; W679-W753 HydrophobicContact CZ3-CZ3 3.43Å; W679-W753 VanDerWaalsContact CZ3-CZ3 3.43Å; W679-L756 HydrophobicContact CE3-CD2 4.49Å; W679-L756 HydrophobicContact CZ3-CD2 3.78Å |
| 680 | I | 77.9 | Confident | 75.1 | Confident | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57 | -47.6 | 177.2 | -69.7 | 170.1 | 0 | 0 | 0 | 110.9 | M676 M683 R684 L749 R752 W753 L756 | M676-I680 HydrophobicContact CE-CD1 4.3Å; M676-I680 HydrophobicContact CG-CD1 4.2Å; M676-I680 WeakPolarHBondContact O-CG1 3.48Å; M676-I680 PolarHBondContact O-N 3.05Å; I680-M683 PolarHBondContact O-N 3.45Å; I680-R684 PolarHBondContact O-N 2.95Å; I680-L749 HydrophobicContact CD1-CD1 3.8Å; I680-R752 HydrophobicContact CG2-CB 4.08Å; I680-R752 WeakPolarHBondContact CG2-O 3.29Å; I680-W753 HydrophobicContact CD1-CB 4.12Å; I680-W753 HydrophobicContact CD1-CE3 4.05Å; I680-W753 HydrophobicContact CG1-CE3 3.98Å; I680-L756 HydrophobicContact CB-CD2 4.31Å; I680-L756 HydrophobicContact CG1-CD2 4.32Å; I680-L756 HydrophobicContact CG2-CB 4.33Å; I680-L756 HydrophobicContact CG2-CD2 4.03Å |
| 681 | M | 78.1 | Confident | 74.1 | Confident | 114 Ų | 114 | 54.8 Ų | 54.8 | 56% | 0.562 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -61.3 | -46.1 | -179.7 | -175.5 | -179.6 | 71.3 | 0 | 0 | 112.6 | E677 K678 W679 R684 Q685 | E677-M681 PolarHBondContact O-N 3.41Å; E677-M681 VanDerWaalsContact O-N 3.08Å; K678-M681 PolarHBondContact O-N 2.77Å; W679-M681 VanDerWaalsContact C-N 3.35Å; W679-M681 PolarHBondContact O-N 2.75Å; M681-R684 PolarHBondContact O-N 3.16Å; M681-Q685 PolarHBondContact O-N 3.09Å |
| 682 | V | 77.4 | Confident | 72.9 | Confident | 66 Ų | 66 | 56.2 Ų | 56.2 | 40% | 0.4 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 179.4 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | K678 W679 K686 | K678-V682 WeakPolarHBondContact O-CG2 3.48Å; K678-V682 PolarHBondContact O-N 3.19Å; K678-V682 VanDerWaalsContact O-N 3.09Å; W679-V682 PolarHBondContact O-N 3.19Å; V682-K686 WeakPolarHBondContact O-CG 3.48Å; V682-K686 PolarHBondContact O-N 3.01Å |
| 683 | M | 73.6 | Confident | 71.8 | Confident | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.5 | -34.3 | 177.4 | -72.1 | -63.7 | -75.6 | 0 | 0 | 112.6 | W679 I680 K686 L687 L709 F713 L756 | W679-M683 HydrophobicContact CD2-CG 3.83Å; W679-M683 HydrophobicContact CE3-CG 4.06Å; W679-M683 HydrophobicContact CG-CG 4.49Å; W679-M683 HydrophobicContact CH2-CB 4.37Å; W679-M683 HydrophobicContact CH2-CE 4.2Å; W679-M683 HydrophobicContact CH2-CG 3.81Å; W679-M683 HydrophobicContact CZ2-CE 3.92Å; W679-M683 HydrophobicContact CZ2-CG 3.57Å; W679-M683 HydrophobicContact CZ2-SD 4.22Å; W679-M683 HydrophobicContact CZ3-CB 4.3Å; W679-M683 HydrophobicContact CZ3-CG 4.02Å; W679-M683 WeakPolarHBondContact O-CB 3.4Å; W679-M683 WeakPolarHBondContact O-CG 3.49Å; W679-M683 PolarHBondContact O-N 3.05Å; I680-M683 PolarHBondContact O-N 3.45Å; M683-K686 PolarHBondContact O-N 3.05Å; M683-K686 HydrophobicContact SD-CD 4.04Å; M683-L687 WeakPolarHBondContact O-CG 3.43Å; M683-L687 PolarHBondContact O-N 2.92Å; M683-L709 HydrophobicContact CE-CB 3.96Å; M683-L709 HydrophobicContact CE-CD2 3.93Å; M683-L709 WeakPolarHBondContact CE-O 3.35Å; M683-L709 HydrophobicContact SD-CD2 3.98Å; M683-F713 HydrophobicContact CE-CE2 4.06Å; M683-L756 HydrophobicContact CB-CD1 4.21Å; M683-L756 HydrophobicContact CB-CD2 4.03Å |
| 684 | R | 74.7 | Confident | 70.4 | Confident | 85 Ų | 85 | 67.2 Ų | 67.2 | 32% | 0.321 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.7 | -48.5 | 175.6 | -148.2 | 171.9 | -160.8 | -74.4 | 2.7 | 111.6 | I680 M681 K686 L687 D688 D755 L756 L759 | I680-R684 PolarHBondContact O-N 2.95Å; M681-R684 PolarHBondContact O-N 3.16Å; R684-K686 VanDerWaalsContact C-N 3.31Å; R684-K686 PolarHBondContact O-N 2.83Å; R684-L687 PolarHBondContact O-N 3.43Å; R684-D688 IonicContact NH1-OD2 3.05Å; R684-D688 PolarHBondContact NH1-OD2 3.31Å; R684-D688 WeakPolarHBondContact O-CB 3.4Å; R684-D688 PolarHBondContact O-N 3.31Å; R684-D755 PolarHBondContact NE-O 3.3Å; R684-D755 PolarHBondContact NH2-O 2.89Å; R684-L756 VanDerWaalsContact CA-CD1 3.43Å; R684-L756 HydrophobicContact CB-CD1 3.69Å; R684-L756 HydrophobicContact CG-CD1 3.82Å; R684-L759 HydrophobicContact CG-CD1 4.41Å; R684-L759 VanDerWaalsContact CZ-CD1 3.42Å |
| 685 | Q | 72.4 | Confident | 68.9 | Low | 134 Ų | 134 | 66 Ų | 66 | 63% | 0.626 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -59.4 | -39.2 | 176.5 | -71.6 | -176.7 | -25.6 | 0 | 0 | 112.7 | M681 S689 | M681-Q685 PolarHBondContact O-N 3.09Å; Q685-S689 WeakPolarHBondContact O-CB 3.4Å; Q685-S689 PolarHBondContact O-N 2.88Å |
| 686 | K | 69.8 | Low | 67.5 | Low | 88 Ų | 88 | 65.8 Ų | 65.8 | 38% | 0.383 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.4 | -49.5 | 173.9 | -72.3 | 175.7 | -179.6 | 176.7 | 0 | 111.8 | V682 M683 R684 S689 F690 L709 | V682-K686 WeakPolarHBondContact O-CG 3.48Å; V682-K686 PolarHBondContact O-N 3.01Å; M683-K686 PolarHBondContact O-N 3.05Å; M683-K686 HydrophobicContact SD-CD 4.04Å; R684-K686 VanDerWaalsContact C-N 3.31Å; R684-K686 PolarHBondContact O-N 2.83Å; K686-S689 WeakPolarHBondContact O-CB 3.41Å; K686-S689 PolarHBondContact O-N 3.48Å; K686-S689 PolarHBondContact O-OG 3.38Å; K686-F690 WeakPolarHBondContact O-CD2 3.22Å; K686-F690 WeakPolarHBondContact O-CE2 3.4Å; K686-L709 HydrophobicContact CD-CD1 4.39Å; K686-L709 HydrophobicContact CD-CD2 4.2Å |
| 687 | L | 68.8 | Low | 66.2 | Low | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64.5 | -44.7 | -178.7 | -71.5 | 171.1 | 0 | 0 | 0 | 112.3 | M683 R684 S689 F690 F713 L756 L759 L763 | M683-L687 WeakPolarHBondContact O-CG 3.43Å; M683-L687 PolarHBondContact O-N 2.92Å; R684-L687 PolarHBondContact O-N 3.43Å; L687-S689 PolarHBondContact O-N 2.93Å; L687-F690 PolarHBondContact O-N 2.99Å; L687-F713 HydrophobicContact CD1-CE2 4.38Å; L687-F713 HydrophobicContact CD1-CZ 4Å; L687-L756 HydrophobicContact CD1-CD1 3.81Å; L687-L759 HydrophobicContact CB-CD2 3.7Å; L687-L763 HydrophobicContact CB-CD1 4.29Å; L687-L763 HydrophobicContact CD2-CD1 3.65Å |
| 688 | D | 67.3 | Low | 64.7 | Low | 73 Ų | 73 | 74.6 Ų | 74.6 | 39% | 0.39 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -57.9 | -35.4 | 174.5 | -83.8 | -50.9 | 0 | 0 | 0 | 111.9 | R684 F690 C691 L759 | R684-D688 IonicContact NH1-OD2 3.05Å; R684-D688 PolarHBondContact NH1-OD2 3.31Å; R684-D688 WeakPolarHBondContact O-CB 3.4Å; R684-D688 PolarHBondContact O-N 3.31Å; D688-F690 VanDerWaalsContact C-N 3.32Å; D688-F690 PolarHBondContact O-N 3.36Å; D688-C691 PolarHBondContact O-N 3.47Å; D688-C691 VanDerWaalsContact O-N 3.17Å; D688-L759 WeakPolarHBondContact OD1-CD1 3.38Å |
| 689 | S | 65.1 | Low | 63.5 | Low | 76 Ų | 76 | 72.9 Ų | 72.9 | 53% | 0.531 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.2 | -28.5 | -178.8 | 79.4 | 0 | 0 | 0 | 0 | 114.7 | Q685 K686 L687 C691 | Q685-S689 WeakPolarHBondContact O-CB 3.4Å; Q685-S689 PolarHBondContact O-N 2.88Å; K686-S689 WeakPolarHBondContact O-CB 3.41Å; K686-S689 PolarHBondContact O-N 3.48Å; K686-S689 PolarHBondContact O-OG 3.38Å; L687-S689 PolarHBondContact O-N 2.93Å; S689-C691 VanDerWaalsContact C-N 3.34Å |
| 690 | F | 61.8 | Low | 62 | Low | 24 Ų | 24 | 76.3 Ų | 76.3 | 11% | 0.105 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -78.3 | -18.2 | 176.9 | -63.9 | -68.4 | 0 | 0 | 0 | 113.4 | K686 L687 D688 R702 E705 L709 L763 | K686-F690 WeakPolarHBondContact O-CD2 3.22Å; K686-F690 WeakPolarHBondContact O-CE2 3.4Å; L687-F690 PolarHBondContact O-N 2.99Å; D688-F690 VanDerWaalsContact C-N 3.32Å; D688-F690 PolarHBondContact O-N 3.36Å; F690-R702 HydrophobicContact CD1-CG 4.47Å; F690-E705 HydrophobicContact CZ-CB 4.46Å; F690-L709 HydrophobicContact CE2-CD1 3.77Å; F690-L709 HydrophobicContact CZ-CD1 4.14Å; F690-L763 HydrophobicContact CB-CD1 4.21Å; F690-L763 HydrophobicContact CB-CD2 4.14Å |
| 691 | C | 59.7 | Low | 61 | Low | 55 Ų | 55 | 77.6 Ų | 77.6 | 37% | 0.372 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -88.9 | -11.7 | -174.2 | -67.7 | 0 | 0 | 0 | 0 | 114.4 | D688 S689 | D688-C691 PolarHBondContact O-N 3.47Å; D688-C691 VanDerWaalsContact O-N 3.17Å; S689-C691 VanDerWaalsContact C-N 3.34Å |
| 692 | S | 55.6 | Low | 60 | Low | 59 Ų | 59 | 75.8 Ų | 75.8 | 41% | 0.413 | 45% | 0.446 | S | S | . | . | trans | -77.8 | 124.3 | -170.5 | -167.4 | 0 | 0 | 0 | 0 | 113.1 | T694 G695 | S692-T694 PolarHBondContact O-N 3.49Å; S692-T694 VanDerWaalsContact O-N 3.09Å; S692-G695 PolarHBondContact O-N 2.81Å | ||
| 693 | P | 51.9 | Low | 59 | Low | 133 Ų | 133 | 76.7 Ų | 76.7 | 86% | 0.864 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -15 | -172.7 | -25.3 | 35.2 | 0 | 0 | 0 | 116.7 | ||
| 694 | T | 50.7 | Low | 58.4 | Low | 137 Ų | 137 | 80.4 Ų | 80.4 | 84% | 0.84 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | 6.2 | -174.9 | 29.2 | 0 | 0 | 0 | 0 | 114.1 | S692 | S692-T694 PolarHBondContact O-N 3.49Å; S692-T694 VanDerWaalsContact O-N 3.09Å |
| 695 | G | 50.4 | Low | 57.9 | Low | 42 Ų | 42 | 81.1 Ų | 81.1 | 43% | 0.433 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -81 | 139.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S692 W697 | S692-G695 PolarHBondContact O-N 2.81Å; G695-W697 PolarHBondContact O-N 3.27Å |
| 696 | G | 50 | Low | 57.4 | Low | 89 Ų | 89 | 74.9 Ų | 74.9 | 92% | 0.918 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -72.3 | 36 | -172.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 697 | W | 48.8 | Very low | 57 | Low | 134 Ų | 134 | 77.2 Ų | 77.2 | 51% | 0.508 | 46% | 0.457 | S | S | . | . | trans | -106.2 | 126.1 | -179.3 | -66.9 | 78.7 | 0 | 0 | 0 | 111.5 | G695 R702 | G695-W697 PolarHBondContact O-N 3.27Å; W697-R702 HydrophobicContact CB-CG 3.79Å; W697-R702 VanDerWaalsContact O-CZ 3.26Å; W697-R702 PolarHBondContact O-NE 3.08Å; W697-R702 PolarHBondContact O-NH2 2.88Å | ||
| 698 | S | 46.9 | Very low | 57.1 | Low | 85 Ų | 85 | 85 Ų | 85 | 59% | 0.594 | 49% | 0.491 | S | S | * | . | trans | -68.3 | 169.3 | 172.9 | 66 | 0 | 0 | 0 | 0 | 111.8 | R702 | S698-R702 PolarHBondContact O-NE 3.49Š| ||
| 699 | V | 51.1 | Low | 57 | Low | 82 Ų | 82 | 82.7 Ų | 82.7 | 50% | 0.497 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.3 | -51.4 | -176.4 | 178.6 | 0 | 0 | 0 | 0 | 111 | G701 R702 | V699-G701 VanDerWaalsContact C-N 3.29Å; V699-G701 PolarHBondContact O-N 3.17Å; V699-R702 PolarHBondContact O-N 3.08Å |
| 700 | E | 49.2 | Very low | 56.9 | Low | 121 Ų | 121 | 80.5 Ų | 80.5 | 57% | 0.565 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -61.8 | -30.1 | 179.7 | -96.6 | 44 | -119.8 | 0 | 0 | 114.6 | R702 R703 | E700-R702 VanDerWaalsContact C-N 3.33Å; E700-R702 PolarHBondContact O-N 3.48Å; E700-R703 IonicContact OE1-CZ 3.18Å; E700-R703 IonicContact OE1-NH1 2.7Å; E700-R703 PolarHBondContact OE1-NH1 2.88Å; E700-R703 IonicContact OE1-NH2 3.2Å; E700-R703 PolarHBondContact OE1-NH2 3.25Å |
| 701 | G | 57.3 | Low | 57 | Low | 31 Ų | 31 | 82 Ų | 82 | 32% | 0.32 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.3 | -27.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | V699 | V699-G701 VanDerWaalsContact C-N 3.29Å; V699-G701 PolarHBondContact O-N 3.17Å |
| 702 | R | 57.7 | Low | 57.8 | Low | 76 Ų | 76 | 82.7 Ų | 82.7 | 29% | 0.287 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -81.2 | -15.9 | -173 | -75.6 | 179.8 | -89.4 | 177.7 | -10.2 | 114.6 | F690 W697 S698 V699 E700 A706 | F690-R702 HydrophobicContact CD1-CG 4.47Å; W697-R702 HydrophobicContact CB-CG 3.79Å; W697-R702 VanDerWaalsContact O-CZ 3.26Å; W697-R702 PolarHBondContact O-NE 3.08Å; W697-R702 PolarHBondContact O-NH2 2.88Å; S698-R702 PolarHBondContact O-NE 3.49Å; V699-R702 PolarHBondContact O-N 3.08Å; E700-R702 VanDerWaalsContact C-N 3.33Å; E700-R702 PolarHBondContact O-N 3.48Å; R702-A706 WeakPolarHBondContact O-CB 3.41Å |
| 703 | R | 57.2 | Low | 58.9 | Low | 85 Ų | 85 | 80.2 Ų | 80.2 | 32% | 0.321 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -71.4 | -51.2 | -173.1 | -174.5 | 170.6 | -56.4 | 119.4 | -1.2 | 114.2 | E700 Q707 | E700-R703 IonicContact OE1-CZ 3.18Å; E700-R703 IonicContact OE1-NH1 2.7Å; E700-R703 PolarHBondContact OE1-NH1 2.88Å; E700-R703 IonicContact OE1-NH2 3.2Å; E700-R703 PolarHBondContact OE1-NH2 3.25Å; R703-Q707 WeakPolarHBondContact O-CB 3.31Å; R703-Q707 PolarHBondContact O-N 3.27Å |
| 704 | P | 60.3 | Low | 59.9 | Low | 79 Ų | 79 | 78.5 Ų | 78.5 | 51% | 0.513 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -71.9 | -40.2 | -169.3 | -18.8 | 33.4 | 0 | 0 | 0 | 113.7 | Q707 K708 | P704-Q707 PolarHBondContact O-N 3.5Å; P704-K708 PolarHBondContact O-N 3.33Å |
| 705 | E | 64 | Low | 61.1 | Low | 100 Ų | 100 | 78.2 Ų | 78.2 | 47% | 0.467 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -75.2 | -37.6 | -173.8 | -61.8 | -171.4 | 126 | 0 | 0 | 112 | F690 K708 L709 | F690-E705 HydrophobicContact CZ-CB 4.46Å; E705-K708 PolarHBondContact O-N 2.91Å; E705-L709 WeakPolarHBondContact O-CG 3.25Å; E705-L709 PolarHBondContact O-N 3.48Å |
| 706 | A | 61.7 | Low | 62.5 | Low | 3 Ų | 3 | 78.3 Ų | 78.3 | 3% | 0.025 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -60.5 | -44.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | R702 K708 L709 L710 L763 | R702-A706 WeakPolarHBondContact O-CB 3.41Å; A706-K708 VanDerWaalsContact C-N 3.34Å; A706-K708 PolarHBondContact O-N 3.38Å; A706-L709 PolarHBondContact O-N 3.33Å; A706-L710 WeakPolarHBondContact O-CB 3.28Å; A706-L710 VanDerWaalsContact O-CG 3.29Å; A706-L710 WeakPolarHBondContact O-CG 3.44Å; A706-L710 PolarHBondContact O-N 2.97Å; A706-L763 HydrophobicContact CB-CD2 4.49Å |
| 707 | Q | 62.7 | Low | 63.6 | Low | 137 Ų | 137 | 77.1 Ų | 77.1 | 64% | 0.64 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -66.8 | -33 | -179.9 | -162.9 | 169.7 | 14.7 | 0 | 0 | 112.8 | R703 P704 G711 | R703-Q707 WeakPolarHBondContact O-CB 3.31Å; R703-Q707 PolarHBondContact O-N 3.27Å; P704-Q707 PolarHBondContact O-N 3.5Å; Q707-G711 PolarHBondContact O-N 2.93Å |
| 708 | K | 68.9 | Low | 64.9 | Low | 165 Ų | 165 | 76.5 Ų | 76.5 | 72% | 0.717 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -66.3 | -46.5 | 170.9 | -176.5 | 179.9 | 176.3 | -177.1 | 0 | 112.1 | P704 E705 A706 L710 G711 | P704-K708 PolarHBondContact O-N 3.33Å; E705-K708 PolarHBondContact O-N 2.91Å; A706-K708 VanDerWaalsContact C-N 3.34Å; A706-K708 PolarHBondContact O-N 3.38Å; K708-L710 VanDerWaalsContact C-N 3.3Å; K708-L710 PolarHBondContact O-N 2.86Å; K708-G711 PolarHBondContact O-N 3.27Å |
| 709 | L | 65.4 | Low | 66.5 | Low | 24 Ų | 24 | 75.4 Ų | 75.4 | 13% | 0.126 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66 | -31.9 | 179.8 | -72.7 | 168.3 | 0 | 0 | 0 | 112.7 | M683 K686 F690 E705 A706 G711 E712 | M683-L709 HydrophobicContact CE-CB 3.96Å; M683-L709 HydrophobicContact CE-CD2 3.93Å; M683-L709 WeakPolarHBondContact CE-O 3.35Å; M683-L709 HydrophobicContact SD-CD2 3.98Å; K686-L709 HydrophobicContact CD-CD1 4.39Å; K686-L709 HydrophobicContact CD-CD2 4.2Å; F690-L709 HydrophobicContact CE2-CD1 3.77Å; F690-L709 HydrophobicContact CZ-CD1 4.14Å; E705-L709 WeakPolarHBondContact O-CG 3.25Å; E705-L709 PolarHBondContact O-N 3.48Å; A706-L709 PolarHBondContact O-N 3.33Å; L709-G711 PolarHBondContact O-N 3.48Å; L709-E712 PolarHBondContact O-N 3.07Å |
| 710 | L | 63.9 | Low | 67.8 | Low | 30 Ų | 30 | 71.6 Ų | 71.6 | 16% | 0.157 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.3 | -26.1 | 170.7 | -74.8 | 165.6 | 0 | 0 | 0 | 112.8 | A706 K708 E712 F713 S760 N764 | A706-L710 WeakPolarHBondContact O-CB 3.28Å; A706-L710 VanDerWaalsContact O-CG 3.29Å; A706-L710 WeakPolarHBondContact O-CG 3.44Å; A706-L710 PolarHBondContact O-N 2.97Å; K708-L710 VanDerWaalsContact C-N 3.3Å; K708-L710 PolarHBondContact O-N 2.86Å; L710-E712 VanDerWaalsContact C-N 3.3Å; L710-E712 PolarHBondContact O-N 3.03Å; L710-F713 PolarHBondContact O-N 2.87Å; L710-S760 VanDerWaalsContact CD2-CB 3.42Å; L710-S760 VanDerWaalsContact CD2-OG 3.3Å; L710-S760 WeakPolarHBondContact CD2-OG 3.43Å; L710-N764 WeakPolarHBondContact CD1-OD1 3.34Å |
| 711 | G | 64.8 | Low | 69.1 | Low | 56 Ų | 56 | 71.1 Ų | 71.1 | 58% | 0.577 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -17.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q707 K708 L709 P714 | Q707-G711 PolarHBondContact O-N 2.93Å; K708-G711 PolarHBondContact O-N 3.27Å; L709-G711 PolarHBondContact O-N 3.48Å; G711-P714 WeakPolarHBondContact O-CD 3.4Å |
| 712 | E | 74.9 | Confident | 70.2 | Confident | 68 Ų | 68 | 74.7 Ų | 74.7 | 32% | 0.318 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -19.1 | 178.5 | -67.1 | -178.1 | -145.4 | 0 | 0 | 113.1 | W679 L709 L710 K716 | W679-E712 HydrophobicContact CZ2-CB 3.78Å; W679-E712 PolarHBondContact NE1-OE2 2.98Å; W679-E712 VanDerWaalsContact NE1-OE2 3.16Å; L709-E712 PolarHBondContact O-N 3.07Å; L710-E712 VanDerWaalsContact C-N 3.3Å; L710-E712 PolarHBondContact O-N 3.03Å; E712-K716 PolarHBondContact O-N 2.87Å |
| 713 | F | 78.4 | Confident | 71.3 | Confident | 8 Ų | 8 | 71 Ų | 71 | 4% | 0.035 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.6 | -43.8 | -171.8 | -80.7 | -100.2 | 0 | 0 | 0 | 115.3 | W679 M683 L687 L710 E715 K716 E717 W753 L756 F757 | W679-F713 HydrophobicContact CH2-CD1 4.38Å; W679-F713 HydrophobicContact CH2-CD2 4.31Å; W679-F713 HydrophobicContact CH2-CE1 4.33Å; W679-F713 HydrophobicContact CH2-CE2 4.25Å; W679-F713 HydrophobicContact CH2-CG 4.38Å; W679-F713 HydrophobicContact CH2-CZ 4.28Å; M683-F713 HydrophobicContact CE-CE2 4.06Å; L687-F713 HydrophobicContact CD1-CE2 4.38Å; L687-F713 HydrophobicContact CD1-CZ 4Å; L710-F713 PolarHBondContact O-N 2.87Å; F713-E715 VanDerWaalsContact C-N 3.3Å; F713-E715 PolarHBondContact O-N 2.9Å; F713-K716 PolarHBondContact O-N 2.86Å; F713-K716 VanDerWaalsContact O-N 3.14Å; F713-E717 PolarHBondContact O-N 3.41Å; F713-W753 HydrophobicContact CB-CH2 4.35Å; F713-W753 AromaticContact CD1-CH2 3.65Å; F713-W753 HydrophobicContact CD1-CH2 3.65Å; F713-W753 AromaticContact CD1-CZ2 3.88Å; F713-W753 HydrophobicContact CD1-CZ2 3.88Å; F713-W753 HydrophobicContact CD1-CZ3 4.27Å; F713-W753 HydrophobicContact CE1-CH2 4.39Å; F713-W753 HydrophobicContact CG-CH2 4.33Å; F713-W753 WeakPolarHBondContact O-CH2 3.45Å; F713-L756 HydrophobicContact CE1-CD2 3.69Å; F713-L756 HydrophobicContact CE1-CG 3.74Å; F713-L756 HydrophobicContact CZ-CD1 4.4Å; F713-L756 HydrophobicContact CZ-CD2 3.8Å; F713-L756 HydrophobicContact CZ-CG 3.76Å; F713-F757 AromaticContact CD1-CD2 3.82Å; F713-F757 HydrophobicContact CD1-CD2 3.82Å; F713-F757 HydrophobicContact CD1-CE2 4.4Å; F713-F757 HydrophobicContact CE1-CD2 4.32Å |
| 714 | P | 73.8 | Confident | 72.2 | Confident | 97 Ų | 97 | 70.4 Ų | 70.4 | 63% | 0.63 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -62.8 | -33.4 | -177.4 | -24.6 | 35.7 | 0 | 0 | 0 | 114 | G711 L718 | G711-P714 WeakPolarHBondContact O-CD 3.4Å; P714-L718 PolarHBondContact O-N 3.33Å |
| 715 | E | 74.9 | Confident | 73 | Confident | 130 Ų | 130 | 70 Ų | 70 | 61% | 0.607 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -69.4 | -39.3 | 175.9 | -167.3 | -159.3 | 112.3 | 0 | 0 | 111.2 | F713 L718 H719 | F713-E715 VanDerWaalsContact C-N 3.3Å; F713-E715 PolarHBondContact O-N 2.9Å; E715-L718 WeakPolarHBondContact O-CB 3.33Å; E715-L718 PolarHBondContact O-N 2.77Å; E715-H719 PolarHBondContact O-N 3.03Å |
| 716 | K | 81.7 | Confident | 73.7 | Confident | 45 Ų | 45 | 67 Ų | 67 | 20% | 0.196 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -79.4 | -25.1 | -178.9 | -57.5 | -48.9 | -178.7 | -155.2 | 0 | 113.2 | M676 W679 E712 F713 H719 L720 W753 | M676-K716 HydrophobicContact CE-CB 4.01Å; M676-K716 WeakPolarHBondContact CE-O 3.47Å; M676-K716 HydrophobicContact SD-CB 4.4Å; W679-K716 HydrophobicContact CD2-CG 4.09Å; W679-K716 HydrophobicContact CE3-CB 4.47Å; W679-K716 HydrophobicContact CE3-CG 4.33Å; W679-K716 HydrophobicContact CH2-CB 4.25Å; W679-K716 HydrophobicContact CH2-CG 4.06Å; W679-K716 HydrophobicContact CZ2-CB 4.45Å; W679-K716 HydrophobicContact CZ2-CG 3.75Å; W679-K716 HydrophobicContact CZ3-CB 4.28Å; W679-K716 HydrophobicContact CZ3-CG 4.35Å; E712-K716 PolarHBondContact O-N 2.87Å; F713-K716 PolarHBondContact O-N 2.86Å; F713-K716 VanDerWaalsContact O-N 3.14Å; K716-H719 PolarHBondContact O-N 2.92Å; K716-L720 PolarHBondContact O-N 2.88Å; K716-W753 HydrophobicContact CB-CH2 3.67Å; K716-W753 HydrophobicContact CB-CZ3 3.72Å |
| 717 | E | 71.6 | Confident | 74.5 | Confident | 63 Ų | 63 | 66.8 Ų | 66.8 | 29% | 0.294 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.9 | -45.4 | 165.8 | -174.7 | 68.2 | -114.1 | 0 | 0 | 111.1 | F713 H719 L720 Q721 W753 | F713-E717 PolarHBondContact O-N 3.41Å; E717-H719 VanDerWaalsContact C-N 3.31Å; E717-H719 PolarHBondContact O-N 3.14Å; E717-L720 WeakPolarHBondContact O-CB 3.33Å; E717-L720 PolarHBondContact O-N 3.1Å; E717-Q721 PolarHBondContact O-N 2.81Å; E717-Q721 VanDerWaalsContact O-N 3.16Å; E717-W753 HydrophobicContact CB-CZ2 3.87Å; E717-W753 PolarHBondContact OE2-NE1 3.31Å |
| 718 | L | 76.6 | Confident | 75.2 | Confident | 122 Ų | 122 | 61.6 Ų | 61.6 | 64% | 0.639 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61.2 | -41.9 | 176 | -160.9 | 84 | 0 | 0 | 0 | 111.4 | P714 E715 L720 Q721 Q722 | P714-L718 PolarHBondContact O-N 3.33Å; E715-L718 WeakPolarHBondContact O-CB 3.33Å; E715-L718 PolarHBondContact O-N 2.77Å; L718-L720 VanDerWaalsContact C-N 3.33Å; L718-L720 PolarHBondContact O-N 3.02Å; L718-Q721 PolarHBondContact O-N 3.47Å; L718-Q722 PolarHBondContact O-N 3.43Å |
| 719 | H | 79.6 | Confident | 75.7 | Confident | 61 Ų | 61 | 59 Ų | 59 | 28% | 0.282 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65 | -34.7 | 176.6 | -158.2 | 100.2 | 0 | 0 | 0 | 112.3 | E715 K716 E717 Q722 I723 | E715-H719 PolarHBondContact O-N 3.03Å; K716-H719 PolarHBondContact O-N 2.92Å; E717-H719 VanDerWaalsContact C-N 3.31Å; E717-H719 PolarHBondContact O-N 3.14Å; H719-Q722 PolarHBondContact O-N 2.63Å; H719-I723 WeakPolarHBondContact O-CG1 3.45Å; H719-I723 PolarHBondContact O-N 3.49Å |
| 720 | L | 79.3 | Confident | 76.5 | Confident | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62 | -43.5 | 173.4 | -172.5 | 59.9 | 0 | 0 | 0 | 111.7 | M676 K716 E717 L718 Q722 I723 Q724 L749 W753 | M676-L720 HydrophobicContact CE-CB 4Å; M676-L720 HydrophobicContact CE-CD1 4.37Å; K716-L720 PolarHBondContact O-N 2.88Å; E717-L720 WeakPolarHBondContact O-CB 3.33Å; E717-L720 PolarHBondContact O-N 3.1Å; L718-L720 VanDerWaalsContact C-N 3.33Å; L718-L720 PolarHBondContact O-N 3.02Å; L720-Q722 VanDerWaalsContact C-N 3.35Å; L720-I723 PolarHBondContact O-N 3.15Å; L720-Q724 WeakPolarHBondContact O-CG 3.17Å; L720-Q724 PolarHBondContact O-N 3.33Å; L720-L749 HydrophobicContact CD1-CD2 3.53Å; L720-L749 HydrophobicContact CD1-CG 3.68Å; L720-W753 HydrophobicContact CD2-CB 3.97Å; L720-W753 HydrophobicContact CD2-CD2 4.05Å; L720-W753 HydrophobicContact CD2-CG 3.62Å |
| 721 | Q | 76.9 | Confident | 77.2 | Confident | 111 Ų | 111 | 57.8 Ų | 57.8 | 52% | 0.519 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67 | -36 | 177.2 | -64.5 | -176.7 | 18.5 | 0 | 0 | 112 | E717 L718 Q724 A725 | E717-Q721 PolarHBondContact O-N 2.81Å; E717-Q721 VanDerWaalsContact O-N 3.16Å; L718-Q721 PolarHBondContact O-N 3.47Å; Q721-Q724 PolarHBondContact O-N 3.25Å; Q721-A725 PolarHBondContact O-N 2.92Å |
| 722 | Q | 79.3 | Confident | 77.9 | Confident | 106 Ų | 106 | 65.4 Ų | 65.4 | 50% | 0.495 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 173 | -176.2 | 171.3 | -22.6 | 0 | 0 | 112 | L718 H719 L720 Q724 A725 Q726 | L718-Q722 PolarHBondContact O-N 3.43Å; H719-Q722 PolarHBondContact O-N 2.63Å; L720-Q722 VanDerWaalsContact C-N 3.35Å; Q722-Q724 VanDerWaalsContact C-N 3.3Å; Q722-Q724 PolarHBondContact O-N 2.81Å; Q722-A725 PolarHBondContact O-N 3.28Å; Q722-Q726 WeakPolarHBondContact O-CG 3.44Å; Q722-Q726 PolarHBondContact O-N 3.04Å; Q722-Q726 PolarHBondContact O-OE1 3.22Å |
| 723 | I | 82.4 | Confident | 78 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.4 | -38.6 | 174 | -69.4 | 166.1 | 0 | 0 | 0 | 111.4 | F669 D672 L673 M676 H719 L720 Q726 G727 L749 | F669-I723 HydrophobicContact CD2-CG2 4.25Å; F669-I723 HydrophobicContact CE2-CG2 3.9Å; D672-I723 HydrophobicContact CB-CD1 4.17Å; D672-I723 HydrophobicContact CB-CG1 3.86Å; D672-I723 WeakPolarHBondContact O-CD1 3.31Å; L673-I723 HydrophobicContact CB-CG2 4.2Å; L673-I723 HydrophobicContact CD1-CG2 4.36Å; M676-I723 HydrophobicContact CB-CD1 3.54Å; M676-I723 HydrophobicContact CG-CD1 3.97Å; H719-I723 WeakPolarHBondContact O-CG1 3.45Å; H719-I723 PolarHBondContact O-N 3.49Å; L720-I723 PolarHBondContact O-N 3.15Å; I723-Q726 PolarHBondContact O-N 2.81Å; I723-G727 PolarHBondContact O-N 3.4Å; I723-L749 HydrophobicContact CD1-CD2 4.36Å; I723-L749 HydrophobicContact CG2-CD2 3.89Å |
| 724 | Q | 75.4 | Confident | 78.2 | Confident | 71 Ų | 71 | 64.6 Ų | 64.6 | 33% | 0.332 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.5 | -38.5 | 175.7 | -70.3 | 175.1 | 16.6 | 0 | 0 | 112.3 | L720 Q721 Q722 G728 M746 | L720-Q724 WeakPolarHBondContact O-CG 3.17Å; L720-Q724 PolarHBondContact O-N 3.33Å; Q721-Q724 PolarHBondContact O-N 3.25Å; Q722-Q724 VanDerWaalsContact C-N 3.3Å; Q722-Q724 PolarHBondContact O-N 2.81Å; Q724-G728 PolarHBondContact O-N 3.4Å; Q724-M746 HydrophobicContact CB-CE 4.15Å; Q724-M746 HydrophobicContact CG-CE 4.19Å |
| 725 | A | 77.3 | Confident | 78.5 | Confident | 70 Ų | 70 | 61 Ų | 61 | 58% | 0.579 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -67.2 | -43.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q721 Q722 G728 K729 | Q721-A725 PolarHBondContact O-N 2.92Å; Q722-A725 PolarHBondContact O-N 3.28Å; A725-G728 PolarHBondContact O-N 3.5Å; A725-K729 PolarHBondContact O-N 3.1Å; A725-K729 VanDerWaalsContact O-N 3.12Å |
| 726 | Q | 79 | Confident | 78.4 | Confident | 37 Ų | 37 | 60.2 Ų | 60.2 | 17% | 0.173 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.8 | -47.6 | 173.1 | -71.9 | 166.7 | -47.2 | 0 | 0 | 111.2 | C668 F669 D672 Q722 I723 G728 K729 V730 | C668-Q726 PolarHBondContact SG-NE2 3.14Å; C668-Q726 VanDerWaalsContact SG-NE2 3.36Å; F669-Q726 HydrophobicContact CB-CB 4.24Å; F669-Q726 HydrophobicContact CD2-CB 4.08Å; D672-Q726 PolarHBondContact OD2-NE2 3.12Å; D672-Q726 PolarHBondContact OD2-OE1 3.27Å; Q722-Q726 WeakPolarHBondContact O-CG 3.44Å; Q722-Q726 PolarHBondContact O-N 3.04Å; Q722-Q726 PolarHBondContact O-OE1 3.22Å; I723-Q726 PolarHBondContact O-N 2.81Å; Q726-G728 VanDerWaalsContact C-N 3.27Å; Q726-G728 PolarHBondContact O-N 3.3Å; Q726-K729 WeakPolarHBondContact O-CA 3.43Å; Q726-K729 WeakPolarHBondContact O-CB 3.31Å; Q726-K729 PolarHBondContact O-N 3.26Å; Q726-V730 WeakPolarHBondContact O-CG2 3.45Å; Q726-V730 PolarHBondContact O-N 2.99Å |
| 727 | G | 77.6 | Confident | 78 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.8 | -40.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F669 I723 K729 V730 L731 | F669-G727 VanDerWaalsContact CD2-CA 3.45Å; F669-G727 VanDerWaalsContact CD2-N 3.33Å; I723-G727 PolarHBondContact O-N 3.4Å; G727-K729 VanDerWaalsContact C-N 3.33Å; G727-K729 PolarHBondContact O-N 3.07Å; G727-V730 PolarHBondContact O-N 3.43Å; G727-L731 WeakPolarHBondContact O-CB 3.48Å; G727-L731 WeakPolarHBondContact O-CG 3.42Å; G727-L731 PolarHBondContact O-N 2.81Å |
| 728 | G | 76.9 | Confident | 78.2 | Confident | 28 Ų | 28 | 61 Ų | 61 | 29% | 0.289 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.9 | -36.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q724 A725 Q726 | Q724-G728 PolarHBondContact O-N 3.4Å; A725-G728 PolarHBondContact O-N 3.5Å; Q726-G728 VanDerWaalsContact C-N 3.27Å; Q726-G728 PolarHBondContact O-N 3.3Å |
| 729 | K | 79.3 | Confident | 78.3 | Confident | 110 Ų | 110 | 57.6 Ų | 57.6 | 48% | 0.478 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68.2 | -48.4 | 174 | -166.3 | -172.9 | -174.5 | -165.5 | 0 | 111 | D665 A725 Q726 G727 R732 | D665-K729 VanDerWaalsContact CG-NZ 3.31Å; D665-K729 WeakPolarHBondContact OD1-CE 3.34Å; D665-K729 IonicContact OD1-NZ 2.78Å; D665-K729 PolarHBondContact OD1-NZ 2.95Å; D665-K729 WeakPolarHBondContact OD2-CE 3.5Å; D665-K729 IonicContact OD2-NZ 3.19Å; D665-K729 PolarHBondContact OD2-NZ 3.5Å; A725-K729 PolarHBondContact O-N 3.1Å; A725-K729 VanDerWaalsContact O-N 3.12Å; Q726-K729 WeakPolarHBondContact O-CA 3.43Å; Q726-K729 WeakPolarHBondContact O-CB 3.31Å; Q726-K729 PolarHBondContact O-N 3.26Å; G727-K729 VanDerWaalsContact C-N 3.33Å; G727-K729 PolarHBondContact O-N 3.07Å; K729-R732 PolarHBondContact O-N 3.29Å |
| 730 | V | 82.6 | Confident | 78.1 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.3 | -40.8 | -178.6 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | D665 H666 F669 Q726 G727 R732 R733 T734 I742 | D665-V730 HydrophobicContact CB-CG2 4.4Å; D665-V730 WeakPolarHBondContact O-CG2 3.45Å; H666-V730 HydrophobicContact CB-CG1 4.05Å; H666-V730 VanDerWaalsContact CD2-CG1 3.45Å; H666-V730 WeakPolarHBondContact CD2-CG1 3.38Å; F669-V730 HydrophobicContact CB-CG2 3.75Å; F669-V730 HydrophobicContact CD1-CG2 4.39Å; F669-V730 HydrophobicContact CG-CG2 4.17Å; Q726-V730 WeakPolarHBondContact O-CG2 3.45Å; Q726-V730 PolarHBondContact O-N 2.99Å; G727-V730 PolarHBondContact O-N 3.43Å; V730-R732 VanDerWaalsContact C-N 3.3Å; V730-R732 PolarHBondContact O-N 2.92Å; V730-R733 CarbonylContact O-C 3.56Å; V730-R733 VanDerWaalsContact O-C 3.32Å; V730-R733 WeakPolarHBondContact O-CA 3.32Å; V730-R733 PolarHBondContact O-N 3.32Å; V730-T734 WeakPolarHBondContact O-CB 3.32Å; V730-T734 PolarHBondContact O-N 3.17Å; V730-T734 PolarHBondContact O-OG1 3Å; V730-I742 HydrophobicContact CG1-CD1 3.8Å |
| 731 | L | 78.7 | Confident | 78 | Confident | 27 Ų | 27 | 64.1 Ų | 64.1 | 14% | 0.141 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -54.3 | -44.7 | 177.4 | -78.7 | 169.2 | 0 | 0 | 0 | 112.1 | G727 R733 T734 Q739 I742 R743 M746 | G727-L731 WeakPolarHBondContact O-CB 3.48Å; G727-L731 WeakPolarHBondContact O-CG 3.42Å; G727-L731 PolarHBondContact O-N 2.81Å; L731-R733 PolarHBondContact O-N 3.41Å; L731-T734 PolarHBondContact O-N 3.18Å; L731-Q739 HydrophobicContact CD2-CB 3.74Å; L731-Q739 HydrophobicContact CD2-CG 3.78Å; L731-Q739 WeakPolarHBondContact CD2-O 3.29Å; L731-Q739 WeakPolarHBondContact O-CG 2.87Å; L731-Q739 PolarHBondContact O-NE2 3.05Å; L731-Q739 VanDerWaalsContact O-NE2 3.12Å; L731-I742 HydrophobicContact CD1-CG2 4.37Å; L731-I742 HydrophobicContact CD2-CB 3.73Å; L731-I742 HydrophobicContact CD2-CD1 4.47Å; L731-I742 HydrophobicContact CD2-CG2 3.64Å; L731-I742 HydrophobicContact CG-CB 4.39Å; L731-I742 HydrophobicContact CG-CG2 3.74Å; L731-R743 HydrophobicContact CD1-CG 3.89Å; L731-R743 HydrophobicContact CD2-CG 4.01Å; L731-M746 HydrophobicContact CD1-SD 4.22Å |
| 732 | R | 78.6 | Confident | 78.1 | Confident | 217 Ų | 217 | 59.2 Ų | 59.2 | 82% | 0.819 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -64.3 | -24.9 | 177.6 | -66.1 | 178.4 | -173.9 | -171.5 | 2.8 | 113.5 | K729 V730 | K729-R732 PolarHBondContact O-N 3.29Å; V730-R732 VanDerWaalsContact C-N 3.3Å; V730-R732 PolarHBondContact O-N 2.92Å |
| 733 | R | 78.8 | Confident | 78.2 | Confident | 57 Ų | 57 | 60 Ų | 60 | 22% | 0.215 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 28 | -179.6 | -57.2 | -177.1 | 95 | 178 | 2.3 | 112.2 | K600 D658 D661 I662 D665 V730 L731 | K600-R733 WeakPolarHBondContact CE-O 3.4Å; K600-R733 PolarHBondContact NZ-O 3.18Å; D658-R733 PolarHBondContact O-NH2 3.25Å; D661-R733 PolarHBondContact O-NH1 3.01Å; I662-R733 HydrophobicContact CG1-CB 4.23Å; I662-R733 VanDerWaalsContact CG1-NE 3.3Å; I662-R733 HydrophobicContact CG2-CB 4.49Å; D665-R733 WeakPolarHBondContact OD2-CD 3.41Å; D665-R733 IonicContact OD2-CZ 2.78Å; D665-R733 IonicContact OD2-NH1 3.15Å; D665-R733 PolarHBondContact OD2-NH1 3.09Å; V730-R733 CarbonylContact O-C 3.56Å; V730-R733 VanDerWaalsContact O-C 3.32Å; V730-R733 WeakPolarHBondContact O-CA 3.32Å; V730-R733 PolarHBondContact O-N 3.32Å; L731-R733 PolarHBondContact O-N 3.41Å |
| 734 | T | 81.3 | Confident | 78 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.006 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -135.9 | 147.7 | -178.2 | -55.1 | 0 | 0 | 0 | 0 | 110.1 | P595 K600 V730 L731 Q739 I742 | P595-T734 WeakPolarHBondContact O-CG2 3.38Å; K600-T734 PolarHBondContact NZ-OG1 3.06Å; V730-T734 WeakPolarHBondContact O-CB 3.32Å; V730-T734 PolarHBondContact O-N 3.17Å; V730-T734 PolarHBondContact O-OG1 3Å; L731-T734 PolarHBondContact O-N 3.18Å; T734-Q739 PolarHBondContact O-NE2 3.03Å; T734-I742 HydrophobicContact CG2-CD1 4.01Å |
| 735 | S | 80.9 | Confident | 78.1 | Confident | 22 Ų | 22 | 65.6 Ų | 65.6 | 15% | 0.154 | 33% | 0.328 | C | S | . | . | trans | -62.4 | 156.7 | 176.6 | 91.5 | 0 | 0 | 0 | 0 | 112 | L593 Q594 P595 D737 G738 Q739 | L593-S735 WeakPolarHBondContact O-CB 3.35Å; Q594-S735 PolarHBondContact O-N 3.33Å; P595-S735 VanDerWaalsContact CA-OG 3.28Å; P595-S735 WeakPolarHBondContact CA-OG 3.39Å; P595-S735 WeakPolarHBondContact CB-OG 3.21Å; S735-D737 PolarHBondContact O-N 3.43Å; S735-D737 VanDerWaalsContact O-N 3.13Å; S735-G738 PolarHBondContact O-N 3.18Å; S735-Q739 VanDerWaalsContact O-CG 3.31Å; S735-Q739 WeakPolarHBondContact O-CG 3.35Å; S735-Q739 PolarHBondContact O-N 3.4Å | ||
| 736 | T | 72.9 | Confident | 78.2 | Confident | 113 Ų | 113 | 64 Ų | 64 | 69% | 0.693 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -29.2 | -176.5 | 43.4 | 0 | 0 | 0 | 0 | 113.9 | ||
| 737 | D | 73.6 | Confident | 78.2 | Confident | 119 Ų | 119 | 67.6 Ų | 67.6 | 64% | 0.636 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -52.8 | 178.3 | -142.5 | 43.8 | 0 | 0 | 0 | 110.5 | S735 Q739 V740 | S735-D737 PolarHBondContact O-N 3.43Å; S735-D737 VanDerWaalsContact O-N 3.13Å; D737-Q739 VanDerWaalsContact C-N 3.29Å; D737-Q739 PolarHBondContact O-N 3.16Å; D737-V740 WeakPolarHBondContact O-CB 3.35Å; D737-V740 PolarHBondContact O-N 3.48Å; D737-V740 VanDerWaalsContact O-N 3.08Å |
| 738 | G | 75.8 | Confident | 78.3 | Confident | 6 Ų | 6 | 71.6 Ų | 71.6 | 6% | 0.062 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.8 | -33.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114 | P595 S735 V740 H741 I742 | P595-G738 WeakPolarHBondContact O-CA 3.49Å; S735-G738 PolarHBondContact O-N 3.18Å; G738-V740 PolarHBondContact O-N 2.87Å; G738-V740 VanDerWaalsContact O-N 3.14Å; G738-H741 PolarHBondContact O-N 2.84Å; G738-H741 VanDerWaalsContact O-N 3.09Å; G738-I742 PolarHBondContact O-N 2.91Å |
| 739 | Q | 77.8 | Confident | 78.5 | Confident | 50 Ų | 50 | 70.4 Ų | 70.4 | 23% | 0.234 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.8 | -23.9 | 174.6 | -75.4 | 175.9 | 28.5 | 0 | 0 | 113.6 | L731 T734 S735 D737 R743 | L731-Q739 HydrophobicContact CD2-CB 3.74Å; L731-Q739 HydrophobicContact CD2-CG 3.78Å; L731-Q739 WeakPolarHBondContact CD2-O 3.29Å; L731-Q739 WeakPolarHBondContact O-CG 2.87Å; L731-Q739 PolarHBondContact O-NE2 3.05Å; L731-Q739 VanDerWaalsContact O-NE2 3.12Å; T734-Q739 PolarHBondContact O-NE2 3.03Å; S735-Q739 VanDerWaalsContact O-CG 3.31Å; S735-Q739 WeakPolarHBondContact O-CG 3.35Å; S735-Q739 PolarHBondContact O-N 3.4Å; D737-Q739 VanDerWaalsContact C-N 3.29Å; D737-Q739 PolarHBondContact O-N 3.16Å; Q739-R743 WeakPolarHBondContact O-CG 3.4Å; Q739-R743 PolarHBondContact O-N 3.49Å; Q739-R743 PolarHBondContact O-NE 3.14Å |
| 740 | V | 75.9 | Confident | 78.5 | Confident | 77 Ų | 77 | 68.9 Ų | 68.9 | 47% | 0.467 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -70.1 | -41.8 | 176.1 | -178.1 | 0 | 0 | 0 | 0 | 110.7 | D737 G738 K744 | D737-V740 WeakPolarHBondContact O-CB 3.35Å; D737-V740 PolarHBondContact O-N 3.48Å; D737-V740 VanDerWaalsContact O-N 3.08Å; G738-V740 PolarHBondContact O-N 2.87Å; G738-V740 VanDerWaalsContact O-N 3.14Å; V740-K744 WeakPolarHBondContact O-CB 3.34Å; V740-K744 PolarHBondContact O-N 3.46Å; V740-K744 VanDerWaalsContact O-N 3.11Å |
| 741 | H | 77.6 | Confident | 78.3 | Confident | 123 Ų | 123 | 73.6 Ų | 73.6 | 57% | 0.569 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -67 | -49.6 | -179.6 | -68 | -92.2 | 0 | 0 | 0 | 111.5 | G738 R743 K744 D745 | G738-H741 PolarHBondContact O-N 2.84Å; G738-H741 VanDerWaalsContact O-N 3.09Å; H741-R743 VanDerWaalsContact C-N 3.34Å; H741-R743 PolarHBondContact O-N 3.04Å; H741-K744 CarbonylContact O-C 3.59Å; H741-K744 WeakPolarHBondContact O-CA 3.37Å; H741-K744 WeakPolarHBondContact O-CB 3.45Å; H741-K744 PolarHBondContact O-N 3.44Å; H741-D745 PolarHBondContact O-N 2.97Å |
| 742 | I | 79.4 | Confident | 78.3 | Confident | 8 Ų | 8 | 77.2 Ų | 77.2 | 4% | 0.041 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.5 | -44.6 | 179.3 | -66.1 | 169 | 0 | 0 | 0 | 111.7 | F669 V730 L731 T734 G738 K744 D745 M746 | F669-I742 HydrophobicContact CE1-CG1 4.44Å; F669-I742 HydrophobicContact CE1-CG2 3.68Å; F669-I742 HydrophobicContact CZ-CG2 3.81Å; V730-I742 HydrophobicContact CG1-CD1 3.8Å; L731-I742 HydrophobicContact CD1-CG2 4.37Å; L731-I742 HydrophobicContact CD2-CB 3.73Å; L731-I742 HydrophobicContact CD2-CD1 4.47Å; L731-I742 HydrophobicContact CD2-CG2 3.64Å; L731-I742 HydrophobicContact CG-CB 4.39Å; L731-I742 HydrophobicContact CG-CG2 3.74Å; T734-I742 HydrophobicContact CG2-CD1 4.01Å; G738-I742 PolarHBondContact O-N 2.91Å; I742-K744 PolarHBondContact O-N 2.61Å; I742-D745 PolarHBondContact O-N 3.22Å; I742-M746 HydrophobicContact CG2-SD 4.12Å; I742-M746 WeakPolarHBondContact O-CG 3.33Å; I742-M746 PolarHBondContact O-N 3.4Å |
| 743 | R | 80.6 | Confident | 78.5 | Confident | 123 Ų | 123 | 67.2 Ų | 67.2 | 46% | 0.464 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 174.4 | -80.4 | 176.3 | -71.2 | 169 | -3.8 | 112.2 | L731 Q739 H741 D745 M746 E747 | L731-R743 HydrophobicContact CD1-CG 3.89Å; L731-R743 HydrophobicContact CD2-CG 4.01Å; Q739-R743 WeakPolarHBondContact O-CG 3.4Å; Q739-R743 PolarHBondContact O-N 3.49Å; Q739-R743 PolarHBondContact O-NE 3.14Å; H741-R743 VanDerWaalsContact C-N 3.34Å; H741-R743 PolarHBondContact O-N 3.04Å; R743-D745 VanDerWaalsContact C-N 3.33Å; R743-D745 PolarHBondContact O-N 3.06Å; R743-M746 PolarHBondContact O-N 2.93Å; R743-E747 PolarHBondContact O-N 2.99Å |
| 744 | K | 77.3 | Confident | 78.5 | Confident | 148 Ų | 148 | 68.5 Ų | 68.5 | 64% | 0.643 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -67.1 | -32.8 | 179.5 | -168.4 | 176 | -176.8 | 178.6 | 0 | 112.7 | V740 H741 I742 R748 | V740-K744 WeakPolarHBondContact O-CB 3.34Å; V740-K744 PolarHBondContact O-N 3.46Å; V740-K744 VanDerWaalsContact O-N 3.11Å; H741-K744 CarbonylContact O-C 3.59Å; H741-K744 WeakPolarHBondContact O-CA 3.37Å; H741-K744 WeakPolarHBondContact O-CB 3.45Å; H741-K744 PolarHBondContact O-N 3.44Å; I742-K744 PolarHBondContact O-N 2.61Å; K744-R748 VanDerWaalsContact O-CB 3.29Å; K744-R748 WeakPolarHBondContact O-CB 3.3Å; K744-R748 PolarHBondContact O-N 3.41Å |
| 745 | D | 78.5 | Confident | 78.2 | Confident | 41 Ų | 41 | 71.8 Ų | 71.8 | 22% | 0.219 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.9 | -44.2 | 172.3 | -68.6 | -37.3 | 0 | 0 | 0 | 111.6 | L673 H741 I742 R743 R748 L749 | L673-D745 HydrophobicContact CD1-CB 4.04Å; L673-D745 HydrophobicContact CD2-CB 4.41Å; H741-D745 PolarHBondContact O-N 2.97Å; I742-D745 PolarHBondContact O-N 3.22Å; R743-D745 VanDerWaalsContact C-N 3.33Å; R743-D745 PolarHBondContact O-N 3.06Å; D745-R748 PolarHBondContact O-N 2.83Å; D745-R748 IonicContact OD1-CZ 2.68Å; D745-R748 IonicContact OD1-NH1 3.79Å; D745-R748 PolarHBondContact OD1-NH1 2.89Å; D745-R748 IonicContact OD1-NH2 3.31Å; D745-R748 PolarHBondContact OD1-NH2 3.47Å; D745-L749 WeakPolarHBondContact O-CB 3.21Å; D745-L749 PolarHBondContact O-N 2.84Å |
| 746 | M | 78.6 | Confident | 78.1 | Confident | 35 Ų | 35 | 70.7 Ų | 70.7 | 17% | 0.172 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.4 | -45.8 | 175.1 | -70.1 | 171.1 | 56.9 | 0 | 0 | 112.5 | F669 Q724 L731 I742 R743 L749 K750 | F669-M746 HydrophobicContact CE2-CG 4.11Å; F669-M746 HydrophobicContact CE2-SD 4.39Å; F669-M746 HydrophobicContact CZ-CG 3.9Å; F669-M746 HydrophobicContact CZ-SD 4.29Å; Q724-M746 HydrophobicContact CB-CE 4.15Å; Q724-M746 HydrophobicContact CG-CE 4.19Å; L731-M746 HydrophobicContact CD1-SD 4.22Å; I742-M746 HydrophobicContact CG2-SD 4.12Å; I742-M746 WeakPolarHBondContact O-CG 3.33Å; I742-M746 PolarHBondContact O-N 3.4Å; R743-M746 PolarHBondContact O-N 2.93Å; M746-L749 PolarHBondContact O-N 3.39Å; M746-K750 PolarHBondContact O-N 3.39Å |
| 747 | E | 78.9 | Confident | 78.2 | Confident | 114 Ų | 114 | 69.3 Ų | 69.3 | 53% | 0.533 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66 | -39.7 | 178.7 | -149.1 | 75.1 | -112.6 | 0 | 0 | 111.2 | R743 K750 Q751 | R743-E747 PolarHBondContact O-N 2.99Å; E747-K750 PolarHBondContact O-N 2.93Å; E747-Q751 WeakPolarHBondContact O-CB 3.45Å; E747-Q751 PolarHBondContact O-N 3.35Å |
| 748 | R | 79.9 | Confident | 78.1 | Confident | 84 Ų | 84 | 67.3 Ų | 67.3 | 32% | 0.317 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 173.7 | -179.2 | -177.1 | 67.3 | -114.1 | -4 | 112 | E677 K744 D745 K750 Q751 R752 | E677-R748 IonicContact OE1-CZ 3.18Å; E677-R748 IonicContact OE1-NE 2.93Å; E677-R748 PolarHBondContact OE1-NE 2.82Å; E677-R748 IonicContact OE1-NH2 2.76Å; E677-R748 PolarHBondContact OE1-NH2 2.87Å; K744-R748 VanDerWaalsContact O-CB 3.29Å; K744-R748 WeakPolarHBondContact O-CB 3.3Å; K744-R748 PolarHBondContact O-N 3.41Å; D745-R748 PolarHBondContact O-N 2.83Å; D745-R748 IonicContact OD1-CZ 2.68Å; D745-R748 IonicContact OD1-NH1 3.79Å; D745-R748 PolarHBondContact OD1-NH1 2.89Å; D745-R748 IonicContact OD1-NH2 3.31Å; D745-R748 PolarHBondContact OD1-NH2 3.47Å; R748-K750 VanDerWaalsContact C-N 3.34Å; R748-Q751 PolarHBondContact O-N 3.25Å; R748-R752 WeakPolarHBondContact O-CB 3.35Å; R748-R752 VanDerWaalsContact O-CG 3.32Å; R748-R752 WeakPolarHBondContact O-CG 3.35Å; R748-R752 PolarHBondContact O-N 2.84Å |
| 749 | L | 81.3 | Confident | 77.6 | Confident | 2 Ų | 2 | 68.2 Ų | 68.2 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 178.2 | -178.1 | 68.6 | 0 | 0 | 0 | 110.7 | L673 M676 E677 I680 L720 I723 D745 M746 R752 W753 | L673-L749 HydrophobicContact CD1-CD2 4.19Å; L673-L749 HydrophobicContact CG-CD2 4.18Å; M676-L749 HydrophobicContact CB-CD1 4.03Å; M676-L749 HydrophobicContact CB-CD2 4.38Å; M676-L749 HydrophobicContact CG-CD1 3.86Å; M676-L749 HydrophobicContact CG-CD2 4.22Å; M676-L749 HydrophobicContact CG-CG 4.42Å; E677-L749 HydrophobicContact CB-CD1 4.39Å; E677-L749 HydrophobicContact CG-CD1 3.58Å; I680-L749 HydrophobicContact CD1-CD1 3.8Å; L720-L749 HydrophobicContact CD1-CD2 3.53Å; L720-L749 HydrophobicContact CD1-CG 3.68Å; I723-L749 HydrophobicContact CD1-CD2 4.36Å; I723-L749 HydrophobicContact CG2-CD2 3.89Å; D745-L749 WeakPolarHBondContact O-CB 3.21Å; D745-L749 PolarHBondContact O-N 2.84Å; M746-L749 PolarHBondContact O-N 3.39Å; L749-R752 PolarHBondContact O-N 3.22Å; L749-W753 PolarHBondContact O-N 3.41Å; L749-W753 VanDerWaalsContact O-N 3.1Å |
| 750 | K | 79.4 | Confident | 77 | Confident | 78 Ų | 78 | 66 Ų | 66 | 34% | 0.339 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64 | -47.2 | 177 | -174.7 | -174.7 | 167.5 | -160.1 | 0 | 112.5 | M746 E747 R748 R752 W753 E754 | M746-K750 PolarHBondContact O-N 3.39Å; E747-K750 PolarHBondContact O-N 2.93Å; R748-K750 VanDerWaalsContact C-N 3.34Å; K750-R752 VanDerWaalsContact C-N 3.32Å; K750-R752 PolarHBondContact O-N 3.48Å; K750-W753 WeakPolarHBondContact O-CB 3.46Å; K750-W753 PolarHBondContact O-N 3.09Å; K750-E754 WeakPolarHBondContact CE-OE1 3.29Å; K750-E754 IonicContact NZ-OE1 3.1Å; K750-E754 PolarHBondContact O-N 3.08Å |
| 751 | Q | 78.7 | Confident | 76.4 | Confident | 101 Ų | 101 | 66.4 Ų | 66.4 | 47% | 0.472 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.3 | -45.3 | 177.5 | -166.6 | 73.2 | 74.1 | 0 | 0 | 111.5 | E747 R748 W753 E754 D755 | E747-Q751 WeakPolarHBondContact O-CB 3.45Å; E747-Q751 PolarHBondContact O-N 3.35Å; R748-Q751 PolarHBondContact O-N 3.25Å; Q751-W753 VanDerWaalsContact C-N 3.28Å; Q751-W753 PolarHBondContact O-N 3.26Å; Q751-E754 PolarHBondContact O-N 3.29Å; Q751-D755 WeakPolarHBondContact O-CB 3.41Å; Q751-D755 VanDerWaalsContact O-CG 3.27Å; Q751-D755 PolarHBondContact O-N 3.36Å |
| 752 | R | 79.3 | Confident | 75.7 | Confident | 102 Ų | 102 | 65.1 Ų | 65.1 | 39% | 0.385 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.3 | -27.4 | 177.3 | -72.8 | 175.9 | 172.4 | 177.8 | 2.6 | 113.6 | E677 I680 R748 L749 K750 L756 | E677-R752 IonicContact OE1-NH1 3.38Å; E677-R752 PolarHBondContact OE1-NH1 2.95Å; E677-R752 IonicContact OE2-CZ 2.84Å; E677-R752 IonicContact OE2-NH1 3.41Å; E677-R752 PolarHBondContact OE2-NH1 3.5Å; I680-R752 HydrophobicContact CG2-CB 4.08Å; I680-R752 WeakPolarHBondContact CG2-O 3.29Å; R748-R752 WeakPolarHBondContact O-CB 3.35Å; R748-R752 VanDerWaalsContact O-CG 3.32Å; R748-R752 WeakPolarHBondContact O-CG 3.35Å; R748-R752 PolarHBondContact O-N 2.84Å; L749-R752 PolarHBondContact O-N 3.22Å; K750-R752 VanDerWaalsContact C-N 3.32Å; K750-R752 PolarHBondContact O-N 3.48Å; R752-L756 WeakPolarHBondContact O-CB 3.45Å; R752-L756 PolarHBondContact O-N 3.03Å |
| 753 | W | 82.1 | Confident | 74.6 | Confident | 7 Ų | 7 | 65.3 Ų | 65.3 | 3% | 0.027 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -71.9 | -46.4 | 173.4 | 175.6 | -98.1 | 0 | 0 | 0 | 111.3 | M676 W679 I680 F713 K716 E717 L720 L749 K750 Q751 D755 L756 F757 | M676-W753 HydrophobicContact CE-CD2 4.41Å; M676-W753 HydrophobicContact CE-CE3 3.5Å; M676-W753 HydrophobicContact CE-CH2 4.38Å; M676-W753 HydrophobicContact CE-CZ3 3.47Å; M676-W753 VanDerWaalsContact CE-CZ3 3.47Å; W679-W753 HydrophobicContact CE3-CZ3 4.14Å; W679-W753 HydrophobicContact CH2-CH2 4.46Å; W679-W753 HydrophobicContact CH2-CZ3 4.13Å; W679-W753 HydrophobicContact CZ3-CE3 4.26Å; W679-W753 HydrophobicContact CZ3-CH2 4.19Å; W679-W753 AromaticContact CZ3-CZ3 3.43Å; W679-W753 HydrophobicContact CZ3-CZ3 3.43Å; W679-W753 VanDerWaalsContact CZ3-CZ3 3.43Å; I680-W753 HydrophobicContact CD1-CB 4.12Å; I680-W753 HydrophobicContact CD1-CE3 4.05Å; I680-W753 HydrophobicContact CG1-CE3 3.98Å; F713-W753 HydrophobicContact CB-CH2 4.35Å; F713-W753 AromaticContact CD1-CH2 3.65Å; F713-W753 HydrophobicContact CD1-CH2 3.65Å; F713-W753 AromaticContact CD1-CZ2 3.88Å; F713-W753 HydrophobicContact CD1-CZ2 3.88Å; F713-W753 HydrophobicContact CD1-CZ3 4.27Å; F713-W753 HydrophobicContact CE1-CH2 4.39Å; F713-W753 HydrophobicContact CG-CH2 4.33Å; F713-W753 WeakPolarHBondContact O-CH2 3.45Å; K716-W753 HydrophobicContact CB-CH2 3.67Å; K716-W753 HydrophobicContact CB-CZ3 3.72Å; E717-W753 HydrophobicContact CB-CZ2 3.87Å; E717-W753 PolarHBondContact OE2-NE1 3.31Å; L720-W753 HydrophobicContact CD2-CB 3.97Å; L720-W753 HydrophobicContact CD2-CD2 4.05Å; L720-W753 HydrophobicContact CD2-CG 3.62Å; L749-W753 PolarHBondContact O-N 3.41Å; L749-W753 VanDerWaalsContact O-N 3.1Å; K750-W753 WeakPolarHBondContact O-CB 3.46Å; K750-W753 PolarHBondContact O-N 3.09Å; Q751-W753 VanDerWaalsContact C-N 3.28Å; Q751-W753 PolarHBondContact O-N 3.26Å; W753-D755 VanDerWaalsContact C-N 3.34Å; W753-D755 PolarHBondContact O-N 2.89Å; W753-L756 WeakPolarHBondContact O-CB 3.39Å; W753-L756 PolarHBondContact O-N 3.35Å; W753-F757 WeakPolarHBondContact O-CB 3.44Å; W753-F757 PolarHBondContact O-N 2.84Å |
| 754 | E | 79.1 | Confident | 73.4 | Confident | 85 Ų | 85 | 63.7 Ų | 63.7 | 40% | 0.397 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 174.3 | -66.8 | 174 | -170.3 | 0 | 0 | 111.7 | K750 Q751 L756 F757 T758 | K750-E754 WeakPolarHBondContact CE-OE1 3.29Å; K750-E754 IonicContact NZ-OE1 3.1Å; K750-E754 PolarHBondContact O-N 3.08Å; Q751-E754 PolarHBondContact O-N 3.29Å; E754-L756 PolarHBondContact O-N 3.03Å; E754-F757 PolarHBondContact O-N 3.16Å; E754-T758 WeakPolarHBondContact O-CG2 3.36Å; E754-T758 PolarHBondContact O-N 2.74Å; E754-T758 PolarHBondContact O-OG1 3.09Å |
| 755 | D | 74.5 | Confident | 72.4 | Confident | 69 Ų | 69 | 66.8 Ų | 66.8 | 37% | 0.369 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.7 | -21.1 | 173.1 | -75.9 | -21.5 | 0 | 0 | 0 | 113.9 | R684 Q751 W753 | R684-D755 PolarHBondContact NE-O 3.3Å; R684-D755 PolarHBondContact NH2-O 2.89Å; Q751-D755 WeakPolarHBondContact O-CB 3.41Å; Q751-D755 VanDerWaalsContact O-CG 3.27Å; Q751-D755 PolarHBondContact O-N 3.36Å; W753-D755 VanDerWaalsContact C-N 3.34Å; W753-D755 PolarHBondContact O-N 2.89Å |
| 756 | L | 78.9 | Confident | 70.9 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -89.9 | -43.2 | 175.7 | 177 | 68.5 | 0 | 0 | 0 | 110.7 | W679 I680 M683 R684 L687 F713 R752 W753 E754 L759 S760 | W679-L756 HydrophobicContact CE3-CD2 4.49Å; W679-L756 HydrophobicContact CZ3-CD2 3.78Å; I680-L756 HydrophobicContact CB-CD2 4.31Å; I680-L756 HydrophobicContact CG1-CD2 4.32Å; I680-L756 HydrophobicContact CG2-CB 4.33Å; I680-L756 HydrophobicContact CG2-CD2 4.03Å; M683-L756 HydrophobicContact CB-CD1 4.21Å; M683-L756 HydrophobicContact CB-CD2 4.03Å; R684-L756 VanDerWaalsContact CA-CD1 3.43Å; R684-L756 HydrophobicContact CB-CD1 3.69Å; R684-L756 HydrophobicContact CG-CD1 3.82Å; L687-L756 HydrophobicContact CD1-CD1 3.81Å; F713-L756 HydrophobicContact CE1-CD2 3.69Å; F713-L756 HydrophobicContact CE1-CG 3.74Å; F713-L756 HydrophobicContact CZ-CD1 4.4Å; F713-L756 HydrophobicContact CZ-CD2 3.8Å; F713-L756 HydrophobicContact CZ-CG 3.76Å; R752-L756 WeakPolarHBondContact O-CB 3.45Å; R752-L756 PolarHBondContact O-N 3.03Å; W753-L756 WeakPolarHBondContact O-CB 3.39Å; W753-L756 PolarHBondContact O-N 3.35Å; E754-L756 PolarHBondContact O-N 3.03Å; L756-L759 WeakPolarHBondContact O-CB 3.24Å; L756-L759 PolarHBondContact O-N 3.17Å; L756-S760 PolarHBondContact O-N 2.95Å |
| 757 | F | 74.9 | Confident | 69.5 | Low | 84 Ų | 84 | 72.4 Ų | 72.4 | 37% | 0.368 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.9 | -41.6 | -178.1 | -163.3 | -91.8 | 0 | 0 | 0 | 112 | F713 W753 E754 L759 S760 L761 | F713-F757 AromaticContact CD1-CD2 3.82Å; F713-F757 HydrophobicContact CD1-CD2 3.82Å; F713-F757 HydrophobicContact CD1-CE2 4.4Å; F713-F757 HydrophobicContact CE1-CD2 4.32Å; W753-F757 WeakPolarHBondContact O-CB 3.44Å; W753-F757 PolarHBondContact O-N 2.84Å; E754-F757 PolarHBondContact O-N 3.16Å; F757-L759 VanDerWaalsContact C-N 3.3Å; F757-L759 PolarHBondContact O-N 2.9Å; F757-S760 PolarHBondContact O-N 3.5Å; F757-S760 PolarHBondContact O-OG 3.08Å; F757-L761 HydrophobicContact CD1-CD1 3.85Å; F757-L761 HydrophobicContact CD1-CG 4.24Å; F757-L761 HydrophobicContact CE1-CD1 3.84Å; F757-L761 HydrophobicContact CE1-CD2 4.43Å; F757-L761 HydrophobicContact CE1-CG 4.17Å; F757-L761 WeakPolarHBondContact O-CG 3.37Å; F757-L761 PolarHBondContact O-N 3.14Å |
| 758 | T | 72.4 | Confident | 67.5 | Low | 77 Ų | 77 | 70.5 Ų | 70.5 | 47% | 0.472 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.6 | -36.6 | 173.5 | 46.8 | 0 | 0 | 0 | 0 | 112.9 | E754 L761 N762 | E754-T758 WeakPolarHBondContact O-CG2 3.36Å; E754-T758 PolarHBondContact O-N 2.74Å; E754-T758 PolarHBondContact O-OG1 3.09Å; T758-L761 PolarHBondContact O-N 3.31Å; T758-N762 PolarHBondContact O-N 3.37Å; T758-N762 PolarHBondContact O-ND2 2.78Å |
| 759 | L | 65.6 | Low | 65.5 | Low | 25 Ų | 25 | 70.1 Ų | 70.1 | 13% | 0.131 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -69.7 | -37.3 | 177.4 | -152.1 | 148.6 | 0 | 0 | 0 | 111.4 | R684 L687 D688 L756 F757 N762 | R684-L759 HydrophobicContact CG-CD1 4.41Å; R684-L759 VanDerWaalsContact CZ-CD1 3.42Å; L687-L759 HydrophobicContact CB-CD2 3.7Å; D688-L759 WeakPolarHBondContact OD1-CD1 3.38Å; L756-L759 WeakPolarHBondContact O-CB 3.24Å; L756-L759 PolarHBondContact O-N 3.17Å; F757-L759 VanDerWaalsContact C-N 3.3Å; F757-L759 PolarHBondContact O-N 2.9Å; L759-N762 PolarHBondContact O-N 3.28Å |
| 760 | S | 63.9 | Low | 63.1 | Low | 4 Ų | 4 | 75.8 Ų | 75.8 | 3% | 0.028 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 174.9 | 103.1 | 0 | 0 | 0 | 0 | 112.4 | L710 L756 F757 N762 L763 | L710-S760 VanDerWaalsContact CD2-CB 3.42Å; L710-S760 VanDerWaalsContact CD2-OG 3.3Å; L710-S760 WeakPolarHBondContact CD2-OG 3.43Å; L756-S760 PolarHBondContact O-N 2.95Å; F757-S760 PolarHBondContact O-N 3.5Å; F757-S760 PolarHBondContact O-OG 3.08Å; S760-N762 PolarHBondContact O-N 3.4Å; S760-L763 WeakPolarHBondContact O-CB 3.35Å; S760-L763 PolarHBondContact O-N 2.85Å |
| 761 | L | 64.3 | Low | 60.6 | Low | 85 Ų | 85 | 79.3 Ų | 79.3 | 45% | 0.445 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.7 | -34.7 | 178 | -73.8 | 171.9 | 0 | 0 | 0 | 113.8 | F757 T758 L763 N764 | F757-L761 HydrophobicContact CD1-CD1 3.85Å; F757-L761 HydrophobicContact CD1-CG 4.24Å; F757-L761 HydrophobicContact CE1-CD1 3.84Å; F757-L761 HydrophobicContact CE1-CD2 4.43Å; F757-L761 HydrophobicContact CE1-CG 4.17Å; F757-L761 WeakPolarHBondContact O-CG 3.37Å; F757-L761 PolarHBondContact O-N 3.14Å; T758-L761 PolarHBondContact O-N 3.31Å; L761-L763 VanDerWaalsContact C-N 3.32Å; L761-L763 PolarHBondContact O-N 2.83Å; L761-N764 PolarHBondContact O-N 2.9Å |
| 762 | N | 61.1 | Low | 58.2 | Low | 96 Ų | 96 | 83.1 Ų | 83.1 | 51% | 0.513 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.5 | -33.5 | 179.6 | -74.4 | -39.5 | 0 | 0 | 0 | 112.4 | T758 L759 S760 N764 R765 | T758-N762 PolarHBondContact O-N 3.37Å; T758-N762 PolarHBondContact O-ND2 2.78Å; L759-N762 PolarHBondContact O-N 3.28Å; S760-N762 PolarHBondContact O-N 3.4Å; N762-N764 VanDerWaalsContact C-N 3.26Å; N762-N764 PolarHBondContact O-N 3.43Å; N762-R765 PolarHBondContact O-N 3.05Å; N762-R765 VanDerWaalsContact O-N 3.08Å |
| 763 | L | 57.9 | Low | 55.7 | Low | 11 Ų | 11 | 85.3 Ų | 85.3 | 6% | 0.058 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -61.1 | -32.8 | 177.9 | -117.2 | 159 | 0 | 0 | 0 | 112.9 | L687 F690 A706 S760 L761 R765 | L687-L763 HydrophobicContact CB-CD1 4.29Å; L687-L763 HydrophobicContact CD2-CD1 3.65Å; F690-L763 HydrophobicContact CB-CD1 4.21Å; F690-L763 HydrophobicContact CB-CD2 4.14Å; A706-L763 HydrophobicContact CB-CD2 4.49Å; S760-L763 WeakPolarHBondContact O-CB 3.35Å; S760-L763 PolarHBondContact O-N 2.85Å; L761-L763 VanDerWaalsContact C-N 3.32Å; L761-L763 PolarHBondContact O-N 2.83Å; L763-R765 VanDerWaalsContact C-N 3.31Å; L763-R765 PolarHBondContact O-N 2.87Å |
| 764 | N | 55.4 | Low | 53 | Low | 89 Ų | 89 | 93.3 Ų | 93.3 | 48% | 0.476 | 51% | 0.514 | S | S | . | . | G | 310 helix | trans | -69.8 | -22.8 | 176.1 | -73.8 | -41.6 | 0 | 0 | 0 | 113.6 | L710 L761 N762 | L710-N764 WeakPolarHBondContact CD1-OD1 3.34Å; L761-N764 PolarHBondContact O-N 2.9Å; N762-N764 VanDerWaalsContact C-N 3.26Å; N762-N764 PolarHBondContact O-N 3.43Å |
| 765 | R | 56.3 | Low | 50.3 | Low | 213 Ų | 213 | 95.1 Ų | 95.1 | 80% | 0.804 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -83.9 | -16.5 | -177.2 | -67.1 | -172.6 | 177.1 | -167.9 | 0.2 | 114.3 | N762 L763 Q767 | N762-R765 PolarHBondContact O-N 3.05Å; N762-R765 VanDerWaalsContact O-N 3.08Å; L763-R765 VanDerWaalsContact C-N 3.31Å; L763-R765 PolarHBondContact O-N 2.87Å; R765-Q767 PolarHBondContact O-N 3.18Å |
| 766 | L | 47.3 | Very low | 47.8 | Very low | 137 Ų | 137 | 95.1 Ų | 95.1 | 72% | 0.717 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -87.1 | 2.8 | -171.2 | -90.3 | 163.9 | 0 | 0 | 0 | 115.4 | ||
| 767 | Q | 48.4 | Very low | 45.1 | Very low | 57 Ų | 57 | 100.7 Ų | 100.7 | 27% | 0.266 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -107.2 | 17 | -163.2 | -62 | -164.2 | 18.1 | 0 | 0 | 117.3 | R765 | R765-Q767 PolarHBondContact O-N 3.18Š|
| 768 | G | 37.7 | Very low | 42.6 | Very low | 75 Ų | 75 | 100.7 Ų | 100.7 | 77% | 0.773 | 61% | 0.606 | S | S | * | * | trans | -164.4 | 150.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 769 | G | 38 | Very low | 40.6 | Very low | 75 Ų | 75 | 105.7 Ų | 105.7 | 77% | 0.773 | 62% | 0.624 | S | S | * | * | trans | -175.9 | 149.4 | 174 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 770 | S | 29.4 | Very low | 38.8 | Very low | 121 Ų | 121 | 108.9 Ų | 108.9 | 85% | 0.846 | 65% | 0.649 | S | S | * | * | trans | 74.3 | 88.8 | 164.2 | -58.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 771 | T | 26.5 | Very low | 36.9 | Very low | 152 Ų | 152 | 118.2 Ų | 118.2 | 93% | 0.933 | 69% | 0.689 | S | S | * | * | -165.1 | 168.9 | 115.4 | 10.1 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 772 | E | 29.1 | Very low | 35.3 | Very low | 181 Ų | 181 | 117.4 Ų | 117.4 | 85% | 0.846 | 70% | 0.702 | S | S | * | * | trans | -117.4 | 177.9 | -160 | -61 | -175.4 | 124.9 | 0 | 0 | 115.7 | ||||
| 773 | I | 27.2 | Very low | 33.6 | Very low | 149 Ų | 149 | 122.9 Ų | 122.9 | 76% | 0.764 | 72% | 0.715 | S | S | * | * | trans | 104.8 | 120.5 | 156.4 | -55.3 | -178.3 | 0 | 0 | 0 | 118.1 | ||||
| 774 | H | 25 | Very low | 32.2 | Very low | 175 Ų | 175 | 127.1 Ų | 127.1 | 81% | 0.81 | 74% | 0.738 | S | S | * | * | trans | 4.6 | 130.2 | 165.5 | -54.6 | -50.7 | 0 | 0 | 0 | 121.8 | ||||
| 775 | S | 23.2 | Very low | 31 | Very low | 122 Ų | 122 | 130.5 Ų | 130.5 | 85% | 0.853 | 75% | 0.75 | S | S | * | * | 178.5 | 168.3 | 88.6 | 55.3 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 776 | G | 21.1 | Very low | 29.5 | Very low | 69 Ų | 69 | 125.7 Ų | 125.7 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | trans | 78.9 | 91.1 | 139.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 777 | S | 22 | Very low | 28.6 | Very low | 118 Ų | 118 | 127 Ų | 127 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | 59.2 | 125.2 | 122.4 | -163.2 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 778 | A | 23.7 | Very low | 28.6 | Very low | 83 Ų | 83 | 129.2 Ų | 129.2 | 69% | 0.686 | 77% | 0.771 | S | S | * | * | trans | 69 | 157.6 | 144.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 779 | E | 29 | Very low | 28.1 | Very low | 182 Ų | 182 | 132.1 Ų | 132.1 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | cis | -160.8 | 157.4 | -14.6 | -125.2 | 174.3 | -176.9 | 0 | 0 | 112.3 | ||||
| 780 | S | 27.6 | Very low | 27.7 | Very low | 92 Ų | 92 | 133.1 Ų | 133.1 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | trans | 84.3 | 133.9 | 133.4 | -163.7 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 781 | F | 25.6 | Very low | 27.7 | Very low | 200 Ų | 200 | 133.3 Ų | 133.3 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | trans | 18.1 | 150.7 | 144.7 | -64.6 | -115.4 | 0 | 0 | 0 | 121.5 | ||||
| 782 | G | 29.2 | Very low | 27.7 | Very low | 69 Ų | 69 | 131.6 Ų | 131.6 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | cis | 145.3 | 165.5 | -5.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 783 | R | 26.8 | Very low | 27.9 | Very low | 210 Ų | 210 | 131 Ų | 131 | 79% | 0.792 | 75% | 0.747 | S | S | * | * | trans | 69.2 | 125.5 | 151.3 | -119.7 | -159.5 | -179.7 | -128.1 | -3.5 | 122.2 | ||||
| 784 | L | 28 | Very low | 28 | Very low | 101 Ų | 101 | 129.3 Ų | 129.3 | 53% | 0.529 | 74% | 0.743 | S | S | . | * | 109.6 | 131.9 | 114.5 | -146.1 | 70 | 0 | 0 | 0 | 122.9 | |||||
| 785 | E | 29.5 | Very low | 28.4 | Very low | 160 Ų | 160 | 126.9 Ų | 126.9 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | trans | 58.9 | 162 | 146.3 | -84.9 | 151.3 | -143.1 | 0 | 0 | 121.7 | ||||
| 786 | S | 25.3 | Very low | 28.7 | Very low | 112 Ų | 112 | 126.5 Ų | 126.5 | 78% | 0.783 | 73% | 0.728 | S | S | * | * | cis | -151.8 | 171.4 | 0 | 55.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 787 | E | 29.4 | Very low | 29.3 | Very low | 165 Ų | 165 | 133.1 Ų | 133.1 | 77% | 0.771 | 73% | 0.732 | S | S | * | * | trans | -56.4 | -175.2 | 150.9 | -81.2 | -95.6 | 156.3 | 0 | 0 | 113.3 | ||||
| 788 | P | 48 | Very low | 29.9 | Very low | 103 Ų | 103 | 132.5 Ų | 132.5 | 67% | 0.669 | 73% | 0.727 | S | S | * | * | cis | -152.2 | -179.6 | 20.5 | 45.9 | -24 | 0 | 0 | 0 | 121.6 | ||||
| 789 | D | 27.7 | Very low | 30.2 | Very low | 136 Ų | 136 | 131.9 Ų | 131.9 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | trans | 76 | 117.4 | 131.6 | -88.9 | -38.2 | 0 | 0 | 0 | 129 | ||||
| 790 | S | 28 | Very low | 30.1 | Very low | 96 Ų | 96 | 132.8 Ų | 132.8 | 67% | 0.671 | 73% | 0.731 | S | S | * | * | 98.6 | 120 | 111.6 | 80 | 0 | 0 | 0 | 0 | 127.5 | |||||
| 791 | V | 29.6 | Very low | 30.2 | Very low | 125 Ų | 125 | 132.3 Ų | 132.3 | 76% | 0.758 | 73% | 0.727 | S | S | * | * | 81.4 | 149 | 116.4 | 173.8 | 0 | 0 | 0 | 0 | 125.9 | |||||
| 792 | T | 27.8 | Very low | 30.4 | Very low | 116 Ų | 116 | 130.7 Ų | 130.7 | 71% | 0.712 | 72% | 0.722 | S | S | * | * | trans | 75.9 | 156.1 | 159.4 | 39.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 793 | Q | 32.2 | Very low | 30.5 | Very low | 169 Ų | 169 | 132.3 Ų | 132.3 | 79% | 0.79 | 72% | 0.718 | S | S | * | * | cis | -175.8 | 162.3 | -30.5 | -115.6 | -170.2 | 3.3 | 0 | 0 | 115.5 | ||||
| 794 | V | 29.7 | Very low | 30.6 | Very low | 113 Ų | 113 | 130 Ų | 130 | 69% | 0.685 | 72% | 0.721 | S | S | * | * | trans | 83.2 | 116.3 | 136.3 | 164.8 | 0 | 0 | 0 | 0 | 128.2 | ||||
| 795 | V | 32.6 | Very low | 30.5 | Very low | 124 Ų | 124 | 128.9 Ų | 128.9 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | 36.6 | 160.6 | 123.9 | -150.8 | 0 | 0 | 0 | 0 | 126.9 | |||||
| 796 | D | 30.7 | Very low | 31.9 | Very low | 113 Ų | 113 | 127.2 Ų | 127.2 | 60% | 0.604 | 74% | 0.737 | S | S | * | * | trans | 99.5 | 149.9 | 151.2 | -105.7 | 29.4 | 0 | 0 | 0 | 120.8 | ||||
| 797 | R | 33.3 | Very low | 32.2 | Very low | 209 Ų | 209 | 132.2 Ų | 132.2 | 79% | 0.789 | 74% | 0.739 | S | S | * | * | cis | -154.3 | -143.1 | -10.1 | -140.9 | -175 | -173.3 | 87.3 | 2 | 116.2 | ||||
| 798 | S | 33.4 | Very low | 32.4 | Very low | 104 Ų | 104 | 133.4 Ų | 133.4 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | trans | -135.2 | 169.6 | -152.2 | 56.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 799 | G | 30.6 | Very low | 31.4 | Very low | 70 Ų | 70 | 138.5 Ų | 138.5 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | trans | 119.6 | 174.9 | 139.1 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 800 | F | 27.1 | Very low | 31.9 | Very low | 201 Ų | 201 | 138.5 Ų | 138.5 | 88% | 0.882 | 75% | 0.747 | S | S | * | * | cis | -172.9 | 150.1 | -48.5 | -140.8 | -113.6 | 0 | 0 | 0 | 115.1 | ||||
| 801 | C | 29 | Very low | 32.9 | Very low | 83 Ų | 83 | 140.3 Ų | 140.3 | 56% | 0.561 | 76% | 0.756 | S | S | * | * | trans | 74.1 | 134.1 | 151.9 | -91.8 | 0 | 0 | 0 | 0 | 130.7 | ||||
| 802 | Q | 31 | Very low | 33 | Very low | 165 Ų | 165 | 138.3 Ų | 138.3 | 77% | 0.771 | 76% | 0.761 | S | S | * | * | 62.7 | 161.1 | 127.4 | -67.9 | 178.4 | -61.7 | 0 | 0 | 125.1 | |||||
| 803 | T | 30.7 | Very low | 33.1 | Very low | 103 Ų | 103 | 137 Ų | 137 | 63% | 0.632 | 77% | 0.771 | S | S | * | * | cis | -168.1 | 163 | -15.5 | 28.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 804 | D | 30 | Very low | 33 | Very low | 162 Ų | 162 | 133.3 Ų | 133.3 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | trans | 63.7 | 150.1 | 145.1 | -60.7 | -28.8 | 0 | 0 | 0 | 128.3 | ||||
| 805 | G | 25.1 | Very low | 33 | Very low | 77 Ų | 77 | 131.9 Ų | 131.9 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | 153.6 | 130.4 | 158.9 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 806 | P | 59.3 | Low | 32.8 | Very low | 125 Ų | 125 | 128.9 Ų | 128.9 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | trans | -141 | 179 | -174.5 | 44.6 | -29.5 | 0 | 0 | 0 | 121.4 | ||||
| 807 | R | 31.9 | Very low | 33 | Very low | 217 Ų | 217 | 132.8 Ų | 132.8 | 82% | 0.819 | 79% | 0.794 | S | S | * | * | trans | 119.2 | 122.4 | 141.6 | -92.7 | -175 | 172.3 | -178.1 | 2 | 125.9 | ||||
| 808 | R | 32.4 | Very low | 32.8 | Very low | 191 Ų | 191 | 126.1 Ų | 126.1 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | 80.7 | 133.9 | 119.7 | -150.2 | -173.8 | -151.4 | -153.4 | 5.5 | 126.3 | |||||
| 809 | R | 28.3 | Very low | 32.7 | Very low | 209 Ų | 209 | 128.6 Ų | 128.6 | 79% | 0.789 | 80% | 0.796 | S | S | * | * | 147.6 | 157.1 | 113.8 | -148.4 | -170.3 | -102.6 | -105.7 | 11.6 | 117.2 | |||||
| 810 | V | 36.3 | Very low | 32.7 | Very low | 137 Ų | 137 | 133.5 Ų | 133.5 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | trans | -159.9 | 153.2 | -178.8 | -83.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 811 | P | 49.2 | Very low | 32.7 | Very low | 133 Ų | 133 | 127.8 Ų | 127.8 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | -138.7 | -175.8 | 146.7 | 40 | -25.4 | 0 | 0 | 0 | 113.1 | ||||
| 812 | G | 32.1 | Very low | 32.7 | Very low | 83 Ų | 83 | 130.4 Ų | 130.4 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | cis | 114.4 | 131.7 | -7.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 813 | G | 30.5 | Very low | 32.6 | Very low | 89 Ų | 89 | 126.8 Ų | 126.8 | 92% | 0.918 | 80% | 0.802 | S | S | * | * | cis | 155.7 | 141.7 | -12.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 814 | G | 29.3 | Very low | 32.4 | Very low | 91 Ų | 91 | 127 Ų | 127 | 94% | 0.938 | 81% | 0.808 | S | S | * | * | trans | 156.8 | 166.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 815 | G | 29.2 | Very low | 32.3 | Very low | 84 Ų | 84 | 124.8 Ų | 124.8 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | cis | 167.9 | 156.4 | -9.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 816 | G | 29.9 | Very low | 32.4 | Very low | 60 Ų | 60 | 127 Ų | 127 | 62% | 0.619 | 81% | 0.809 | S | S | * | * | trans | 106.7 | 139.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 817 | E | 33.6 | Very low | 30.9 | Very low | 195 Ų | 195 | 124.4 Ų | 124.4 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | cis | 98.4 | 135.8 | 2.2 | -54.7 | 142.7 | 70.5 | 0 | 0 | 117.2 | ||||
| 818 | G | 30 | Very low | 30.8 | Very low | 69 Ų | 69 | 123.8 Ų | 123.8 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | cis | 177.3 | -179.6 | -5.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 819 | N | 31.8 | Very low | 30.6 | Very low | 157 Ų | 157 | 122.2 Ų | 122.2 | 84% | 0.84 | 82% | 0.816 | S | S | * | * | trans | 69.4 | 162.6 | 159.8 | -69.5 | 28.5 | 0 | 0 | 0 | 123.6 | ||||
| 820 | E | 29 | Very low | 30.6 | Very low | 172 Ų | 172 | 118.8 Ų | 118.8 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | cis | -172.3 | -179.2 | -45.7 | -138.9 | -170.5 | 175.7 | 0 | 0 | 112.9 | ||||
| 821 | A | 28.8 | Very low | 30.2 | Very low | 82 Ų | 82 | 116.3 Ų | 116.3 | 68% | 0.678 | 80% | 0.803 | S | S | * | * | trans | 79.6 | 162.2 | 160.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 822 | T | 28.6 | Very low | 29.2 | Very low | 138 Ų | 138 | 122 Ų | 122 | 85% | 0.847 | 81% | 0.807 | S | S | * | * | -168.9 | 177.6 | -73 | 30.6 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 823 | A | 28.4 | Very low | 28.9 | Very low | 88 Ų | 88 | 121.9 Ų | 121.9 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | 94.3 | 80.9 | 154 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 824 | S | 27.3 | Very low | 28.7 | Very low | 109 Ų | 109 | 123.5 Ų | 123.5 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | 39.6 | 130.8 | 115.6 | 64.9 | 0 | 0 | 0 | 0 | 125.5 | |||||
| 825 | S | 27.4 | Very low | 28.7 | Very low | 115 Ų | 115 | 131.5 Ų | 131.5 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | 69.4 | 114.4 | 124.2 | -180 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 826 | S | 27.2 | Very low | 28.7 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | -179.8 | 174.7 | 108.8 | 64 | 0 | 0 | 0 | 0 | 112 | |||||
| 827 | G | 28.4 | Very low | 29 | Very low | 70 Ų | 70 | 136 Ų | 136 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | trans | -172.6 | 165.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 828 | E | 28.4 | Very low | 29.6 | Very low | 203 Ų | 203 | 133.7 Ų | 133.7 | 95% | 0.949 | 81% | 0.805 | S | S | * | * | trans | -166.2 | 161.5 | 172 | -116.7 | 164.2 | -163.3 | 0 | 0 | 111.7 | ||||
| 829 | D | 28.5 | Very low | 30.6 | Very low | 158 Ų | 158 | 137.3 Ų | 137.3 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | -74.7 | 175.4 | 171.7 | -80.4 | -60.7 | 0 | 0 | 0 | 111.1 | ||||
| 830 | D | 27.8 | Very low | 31.8 | Very low | 138 Ų | 138 | 131.3 Ų | 131.3 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | cis | -166.9 | 161.1 | 36.4 | -167.4 | 1 | 0 | 0 | 0 | 113.1 | ||||
| 831 | S | 29.3 | Very low | 33.6 | Very low | 85 Ų | 85 | 129.1 Ų | 129.1 | 59% | 0.594 | 76% | 0.759 | S | S | * | * | trans | 52.4 | 113.9 | 147.9 | -79.1 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 832 | R | 27.8 | Very low | 35.6 | Very low | 251 Ų | 251 | 130.1 Ų | 130.1 | 95% | 0.947 | 75% | 0.745 | S | S | * | * | trans | 66.4 | 109.9 | 135 | -70.5 | 179 | 162.9 | 169.9 | -3 | 120.7 | ||||
| 833 | G | 24.8 | Very low | 37.8 | Very low | 81 Ų | 81 | 127 Ų | 127 | 84% | 0.835 | 73% | 0.729 | S | S | * | * | trans | -165.3 | 110.4 | 156 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 834 | S | 27.5 | Very low | 40.3 | Very low | 123 Ų | 123 | 126.8 Ų | 126.8 | 86% | 0.86 | 71% | 0.713 | S | S | * | * | trans | -83.3 | 127 | -171.3 | -56.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 835 | R | 28 | Very low | 43.1 | Very low | 259 Ų | 259 | 121.6 Ų | 121.6 | 98% | 0.977 | 68% | 0.676 | S | S | * | * | 174.6 | 128.1 | 127.4 | -98.9 | 166.4 | 177.7 | -174.3 | -0.6 | 111.9 | |||||
| 836 | G | 29.8 | Very low | 45.8 | Very low | 72 Ų | 72 | 119.8 Ų | 119.8 | 74% | 0.742 | 66% | 0.655 | S | S | * | * | trans | 157.5 | 55.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | N838 | G836-N838 PolarHBondContact O-N 3.16Š| ||
| 837 | L | 36.1 | Very low | 48.6 | Very low | 166 Ų | 166 | 116 Ų | 116 | 87% | 0.869 | 63% | 0.631 | S | S | * | * | trans | -71.8 | 121.9 | 170.9 | -78.9 | 165.1 | 0 | 0 | 0 | 109.4 | Q839 | L837-Q839 VanDerWaalsContact C-N 3.26Å; L837-Q839 PolarHBondContact O-N 2.89Å | ||
| 838 | N | 46.4 | Very low | 51.5 | Low | 148 Ų | 148 | 113.7 Ų | 113.7 | 79% | 0.791 | 60% | 0.601 | S | S | * | * | trans | -71.3 | 81.4 | 171.6 | -77.2 | -11.6 | 0 | 0 | 0 | 110.3 | G836 I840 | G836-N838 PolarHBondContact O-N 3.16Å; N838-I840 PolarHBondContact O-N 2.72Å | ||
| 839 | Q | 50.5 | Low | 54.5 | Low | 145 Ų | 145 | 104 Ų | 104 | 68% | 0.678 | 56% | 0.556 | S | S | * | * | trans | -70.3 | 93.1 | 167.1 | -88.6 | -176 | -20.3 | 0 | 0 | 109.8 | L837 K841 | L837-Q839 VanDerWaalsContact C-N 3.26Å; L837-Q839 PolarHBondContact O-N 2.89Å; Q839-K841 PolarHBondContact O-N 3.42Å | ||
| 840 | I | 57.7 | Low | 57.2 | Low | 30 Ų | 30 | 99 Ų | 99 | 15% | 0.154 | 53% | 0.533 | C | S | . | . | trans | -62.7 | 120.9 | 164.8 | -62.6 | 173.2 | 0 | 0 | 0 | 107.6 | N838 E844 M892 L895 L896 | N838-I840 PolarHBondContact O-N 2.72Å; I840-E844 WeakPolarHBondContact CA-OE2 3.48Å; I840-E844 HydrophobicContact CG2-CB 4.44Å; I840-M892 HydrophobicContact CD1-CB 4.29Å; I840-M892 HydrophobicContact CD1-CG 3.99Å; I840-L895 HydrophobicContact CD1-CB 4.1Å; I840-L895 HydrophobicContact CD1-CD1 3.61Å; I840-L896 HydrophobicContact CG2-CG 4.44Å | ||
| 841 | K | 66.9 | Low | 60 | Low | 127 Ų | 127 | 99.7 Ų | 99.7 | 55% | 0.552 | 53% | 0.525 | S | S | * | . | trans | -81.1 | 148.1 | 178.4 | -63.7 | 175.1 | -175.3 | 163.3 | 0 | 110.5 | Q839 S843 E844 F845 | Q839-K841 PolarHBondContact O-N 3.42Å; K841-S843 PolarHBondContact O-N 2.93Å; K841-S843 VanDerWaalsContact O-N 3.16Å; K841-E844 HydrophobicContact CB-CG 4.15Å; K841-E844 WeakPolarHBondContact CD-OE1 3.5Å; K841-E844 PolarHBondContact N-OE2 3.42Å; K841-E844 WeakPolarHBondContact O-CB 3.41Å; K841-E844 PolarHBondContact O-N 2.87Å; K841-F845 PolarHBondContact O-N 2.65Å | ||
| 842 | W | 70.6 | Confident | 62.9 | Low | 103 Ų | 103 | 96 Ų | 96 | 39% | 0.39 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -47.1 | -44 | 173.1 | -64.2 | 87.3 | 0 | 0 | 0 | 112.8 | E844 F845 E846 L896 T900 L910 L913 | W842-E844 VanDerWaalsContact C-N 3.28Å; W842-E844 PolarHBondContact O-N 3.25Å; W842-F845 PolarHBondContact O-N 3.36Å; W842-E846 WeakPolarHBondContact O-CB 3.34Å; W842-E846 PolarHBondContact O-N 3.5Å; W842-L896 HydrophobicContact CD2-CD2 3.85Å; W842-L896 HydrophobicContact CE3-CD2 4.28Å; W842-L896 HydrophobicContact CG-CD2 4.09Å; W842-L896 HydrophobicContact CZ2-CD2 4.32Å; W842-T900 HydrophobicContact CH2-CG2 3.9Å; W842-T900 WeakPolarHBondContact CH2-OG1 3.3Å; W842-T900 HydrophobicContact CZ2-CG2 3.79Å; W842-T900 WeakPolarHBondContact CZ2-OG1 3.33Å; W842-L910 HydrophobicContact CH2-CB 3.87Å; W842-L910 HydrophobicContact CH2-CD1 3.79Å; W842-L910 HydrophobicContact CH2-CD2 4.28Å; W842-L910 HydrophobicContact CH2-CG 4.16Å; W842-L910 HydrophobicContact CZ3-CB 3.83Å; W842-L910 HydrophobicContact CZ3-CD1 3.69Å; W842-L910 HydrophobicContact CZ3-CG 4.27Å; W842-L913 HydrophobicContact CE3-CD2 3.69Å; W842-L913 HydrophobicContact CZ3-CD2 3.83Å |
| 843 | S | 74.8 | Confident | 65.8 | Low | 71 Ų | 71 | 85.7 Ų | 85.7 | 50% | 0.497 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.6 | -27.6 | 176.4 | 54.8 | 0 | 0 | 0 | 0 | 114.7 | K841 A847 | K841-S843 PolarHBondContact O-N 2.93Å; K841-S843 VanDerWaalsContact O-N 3.16Å; S843-A847 WeakPolarHBondContact O-CB 3.33Å; S843-A847 PolarHBondContact O-N 3.17Å |
| 844 | E | 80.1 | Confident | 68.7 | Low | 84 Ų | 84 | 86.5 Ų | 86.5 | 39% | 0.393 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -78 | -44.2 | -177.4 | -67.9 | 157 | -171 | 0 | 0 | 110.6 | I840 K841 W842 A847 W848 | I840-E844 WeakPolarHBondContact CA-OE2 3.48Å; I840-E844 HydrophobicContact CG2-CB 4.44Å; K841-E844 HydrophobicContact CB-CG 4.15Å; K841-E844 WeakPolarHBondContact CD-OE1 3.5Å; K841-E844 PolarHBondContact N-OE2 3.42Å; K841-E844 WeakPolarHBondContact O-CB 3.41Å; K841-E844 PolarHBondContact O-N 2.87Å; W842-E844 VanDerWaalsContact C-N 3.28Å; W842-E844 PolarHBondContact O-N 3.25Å; E844-A847 PolarHBondContact O-N 3.28Å; E844-W848 WeakPolarHBondContact O-CB 3.39Å; E844-W848 PolarHBondContact O-N 3.48Å |
| 845 | F | 86.6 | Confident | 71.4 | Confident | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -68.8 | -39.2 | 171.5 | 179.6 | -98.8 | 0 | 0 | 0 | 112 | K841 W842 A847 W848 L849 G889 M892 F893 L896 L913 W917 | K841-F845 PolarHBondContact O-N 2.65Å; W842-F845 PolarHBondContact O-N 3.36Å; F845-A847 PolarHBondContact O-N 3.14Å; F845-W848 HydrophobicContact CD2-CE3 4.2Å; F845-W848 AromaticContact CE2-CE3 3.88Å; F845-W848 HydrophobicContact CE2-CE3 3.88Å; F845-W848 HydrophobicContact CE2-CZ3 4.05Å; F845-W848 PolarHBondContact O-N 2.98Å; F845-L849 HydrophobicContact CE1-CB 4.36Å; F845-L849 HydrophobicContact CE1-CD2 3.92Å; F845-L849 HydrophobicContact CZ-CD2 4.35Å; F845-L849 VanDerWaalsContact O-CB 3.29Å; F845-L849 WeakPolarHBondContact O-CB 3.15Å; F845-L849 PolarHBondContact O-N 3.09Å; F845-G889 WeakPolarHBondContact CE2-O 3.33Å; F845-M892 HydrophobicContact CD2-CB 3.82Å; F845-M892 HydrophobicContact CD2-CE 4.31Å; F845-M892 HydrophobicContact CE2-CB 4.47Å; F845-F893 AromaticContact CE1-CD2 3.77Å; F845-F893 HydrophobicContact CE1-CD2 3.77Å; F845-F893 HydrophobicContact CE2-CB 3.94Å; F845-F893 HydrophobicContact CZ-CB 3.93Å; F845-F893 AromaticContact CZ-CD2 3.76Å; F845-F893 HydrophobicContact CZ-CD2 3.76Å; F845-F893 HydrophobicContact CZ-CG 4.26Å; F845-L896 HydrophobicContact CB-CD1 3.38Å; F845-L896 HydrophobicContact CD1-CD1 4.11Å; F845-L896 HydrophobicContact CG-CD1 3.79Å; F845-L913 HydrophobicContact CD1-CD1 3.92Å; F845-L913 HydrophobicContact CD1-CD2 3.88Å; F845-L913 HydrophobicContact CD1-CG 4Å; F845-L913 HydrophobicContact CE1-CD1 4.07Å; F845-L913 HydrophobicContact CE1-CD2 4.28Å; F845-L913 HydrophobicContact CE1-CG 3.99Å; F845-W917 HydrophobicContact CZ-CB 4.36Å; F845-W917 HydrophobicContact CZ-CD2 4.06Å; F845-W917 HydrophobicContact CZ-CE3 4.15Å; F845-W917 HydrophobicContact CZ-CG 4.19Å |
| 846 | E | 85.1 | Confident | 74.1 | Confident | 78 Ų | 78 | 70.9 Ų | 70.9 | 36% | 0.364 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.6 | -42 | 174.2 | -177.4 | 171.8 | -149.5 | 0 | 0 | 111.6 | W842 W848 L849 S850 L913 R916 | W842-E846 WeakPolarHBondContact O-CB 3.34Å; W842-E846 PolarHBondContact O-N 3.5Å; E846-W848 VanDerWaalsContact C-N 3.35Å; E846-W848 PolarHBondContact O-N 3.25Å; E846-L849 PolarHBondContact O-N 2.79Å; E846-S850 VanDerWaalsContact O-CB 3.22Å; E846-S850 WeakPolarHBondContact O-CB 3.39Å; E846-S850 PolarHBondContact O-N 2.78Å; E846-S850 PolarHBondContact O-OG 3.3Å; E846-L913 HydrophobicContact CB-CD1 4.34Å; E846-R916 IonicContact OE1-CZ 3.31Å; E846-R916 IonicContact OE1-NH1 3.18Å; E846-R916 PolarHBondContact OE1-NH1 3.36Å; E846-R916 IonicContact OE1-NH2 2.74Å; E846-R916 PolarHBondContact OE1-NH2 3.26Å |
| 847 | A | 84.8 | Confident | 76.5 | Confident | 43 Ų | 43 | 70.4 Ų | 70.4 | 36% | 0.355 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.4 | -34.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S843 E844 F845 R851 | S843-A847 WeakPolarHBondContact O-CB 3.33Å; S843-A847 PolarHBondContact O-N 3.17Å; E844-A847 PolarHBondContact O-N 3.28Å; F845-A847 PolarHBondContact O-N 3.14Å; A847-R851 WeakPolarHBondContact O-CG 3.35Å; A847-R851 PolarHBondContact O-N 2.96Å; A847-R851 PolarHBondContact O-NE 2.9Å |
| 848 | W | 91 | Very high | 78.6 | Confident | 22 Ų | 22 | 68.6 Ų | 68.6 | 8% | 0.083 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.9 | -53.1 | 171.3 | 179.1 | 97.2 | 0 | 0 | 0 | 111.1 | E844 F845 E846 S850 R851 E852 R885 E888 M892 W917 | E844-W848 WeakPolarHBondContact O-CB 3.39Å; E844-W848 PolarHBondContact O-N 3.48Å; F845-W848 HydrophobicContact CD2-CE3 4.2Å; F845-W848 AromaticContact CE2-CE3 3.88Å; F845-W848 HydrophobicContact CE2-CE3 3.88Å; F845-W848 HydrophobicContact CE2-CZ3 4.05Å; F845-W848 PolarHBondContact O-N 2.98Å; E846-W848 VanDerWaalsContact C-N 3.35Å; E846-W848 PolarHBondContact O-N 3.25Å; W848-S850 VanDerWaalsContact C-N 3.26Å; W848-S850 PolarHBondContact O-N 2.67Å; W848-R851 PolarHBondContact O-N 2.98Å; W848-R851 VanDerWaalsContact O-N 3.11Å; W848-E852 HydrophobicContact CD2-CG 3.98Å; W848-E852 HydrophobicContact CE3-CG 4.19Å; W848-E852 HydrophobicContact CH2-CG 3.89Å; W848-E852 HydrophobicContact CZ2-CG 3.74Å; W848-E852 HydrophobicContact CZ3-CG 4.14Å; W848-E852 WeakPolarHBondContact O-CG 3.15Å; W848-E852 PolarHBondContact O-N 3.38Å; W848-R885 HydrophobicContact CZ2-CB 4.32Å; W848-R885 WeakPolarHBondContact CZ2-O 3.27Å; W848-E888 PolarHBondContact NE1-OE2 3.04Å; W848-E888 VanDerWaalsContact NE1-OE2 3.1Å; W848-M892 HydrophobicContact CB-CE 3.99Å; W848-M892 VanDerWaalsContact CD1-CE 3.49Å; W848-M892 HydrophobicContact CD2-CE 3.63Å; W848-M892 HydrophobicContact CE3-CE 4.28Å; W848-M892 HydrophobicContact CG-CE 3.45Å; W848-M892 VanDerWaalsContact CG-CE 3.45Å; W848-W917 HydrophobicContact CH2-CH2 4.22Å; W848-W917 AromaticContact CH2-CZ3 3.88Å; W848-W917 HydrophobicContact CH2-CZ3 3.88Å; W848-W917 HydrophobicContact CZ3-CE3 4.33Å; W848-W917 HydrophobicContact CZ3-CH2 4.31Å; W848-W917 AromaticContact CZ3-CZ3 3.67Å; W848-W917 HydrophobicContact CZ3-CZ3 3.67Å |
| 849 | L | 89.7 | Confident | 80 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.3 | -34.4 | -178.6 | -177.9 | 60.3 | 0 | 0 | 0 | 112.2 | F845 E846 N853 L913 R916 W917 Y920 | F845-L849 HydrophobicContact CE1-CB 4.36Å; F845-L849 HydrophobicContact CE1-CD2 3.92Å; F845-L849 HydrophobicContact CZ-CD2 4.35Å; F845-L849 VanDerWaalsContact O-CB 3.29Å; F845-L849 WeakPolarHBondContact O-CB 3.15Å; F845-L849 PolarHBondContact O-N 3.09Å; E846-L849 PolarHBondContact O-N 2.79Å; L849-N853 WeakPolarHBondContact O-CB 3.44Å; L849-N853 PolarHBondContact O-N 3.47Å; L849-N853 PolarHBondContact O-ND2 3.4Å; L849-L913 HydrophobicContact CD2-CD1 4.35Å; L849-R916 HydrophobicContact CD2-CB 4.04Å; L849-W917 HydrophobicContact CD1-CE3 3.88Å; L849-W917 HydrophobicContact CD1-CZ3 4.49Å; L849-W917 HydrophobicContact CD2-CB 4.33Å; L849-Y920 HydrophobicContact CD1-CD1 4.01Å; L849-Y920 HydrophobicContact CD1-CG 3.89Å |
| 850 | S | 86.6 | Confident | 81 | Confident | 53 Ų | 53 | 57.8 Ų | 57.8 | 37% | 0.371 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -70.7 | -41.2 | 176.2 | -58.8 | 0 | 0 | 0 | 0 | 112.1 | E846 W848 N853 E854 | E846-S850 VanDerWaalsContact O-CB 3.22Å; E846-S850 WeakPolarHBondContact O-CB 3.39Å; E846-S850 PolarHBondContact O-N 2.78Å; E846-S850 PolarHBondContact O-OG 3.3Å; W848-S850 VanDerWaalsContact C-N 3.26Å; W848-S850 PolarHBondContact O-N 2.67Å; S850-N853 PolarHBondContact O-N 3Å; S850-E854 PolarHBondContact O-N 3.11Å |
| 851 | R | 86.3 | Confident | 81.5 | Confident | 152 Ų | 152 | 64.9 Ų | 64.9 | 57% | 0.574 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -64.1 | -45.3 | 174.3 | -78 | 175.2 | -74.3 | -177.9 | -0.6 | 111.8 | A847 W848 E854 V855 | A847-R851 WeakPolarHBondContact O-CG 3.35Å; A847-R851 PolarHBondContact O-N 2.96Å; A847-R851 PolarHBondContact O-NE 2.9Å; W848-R851 PolarHBondContact O-N 2.98Å; W848-R851 VanDerWaalsContact O-N 3.11Å; R851-E854 WeakPolarHBondContact O-CB 3.09Å; R851-E854 PolarHBondContact O-N 2.72Å; R851-V855 PolarHBondContact O-N 2.81Å; R851-V855 VanDerWaalsContact O-N 3.15Å |
| 852 | E | 90.1 | Very high | 81 | Confident | 7 Ų | 7 | 61.7 Ų | 61.7 | 3% | 0.033 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.7 | -45.2 | 175.8 | -74 | -73.2 | 105.8 | 0 | 0 | 112 | W848 E854 V855 L856 L882 R885 Y920 | W848-E852 HydrophobicContact CD2-CG 3.98Å; W848-E852 HydrophobicContact CE3-CG 4.19Å; W848-E852 HydrophobicContact CH2-CG 3.89Å; W848-E852 HydrophobicContact CZ2-CG 3.74Å; W848-E852 HydrophobicContact CZ3-CG 4.14Å; W848-E852 WeakPolarHBondContact O-CG 3.15Å; W848-E852 PolarHBondContact O-N 3.38Å; E852-E854 VanDerWaalsContact C-N 3.33Å; E852-E854 PolarHBondContact O-N 2.96Å; E852-V855 PolarHBondContact O-N 3.21Å; E852-L856 PolarHBondContact O-N 3.42Å; E852-L882 WeakPolarHBondContact OE1-CD2 3.36Å; E852-L882 VanDerWaalsContact OE2-CD2 3.29Å; E852-L882 WeakPolarHBondContact OE2-CD2 3.2Å; E852-R885 IonicContact OE1-CZ 2.86Å; E852-R885 IonicContact OE1-NE 2.72Å; E852-R885 PolarHBondContact OE1-NE 3Å; E852-R885 IonicContact OE1-NH2 2.64Å; E852-R885 PolarHBondContact OE1-NH2 2.62Å; E852-R885 IonicContact OE2-NE 3.61Å; E852-Y920 HydrophobicContact CB-CE1 4.33Å; E852-Y920 HydrophobicContact CB-CE2 3.96Å; E852-Y920 PolarHBondContact OE2-OH 3.39Å |
| 853 | N | 87.7 | Confident | 80.3 | Confident | 35 Ų | 35 | 61.6 Ų | 61.6 | 19% | 0.187 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.8 | -36.5 | 173.1 | -87.8 | -80.7 | 0 | 0 | 0 | 112.5 | L849 S850 V855 L856 M857 | L849-N853 WeakPolarHBondContact O-CB 3.44Å; L849-N853 PolarHBondContact O-N 3.47Å; L849-N853 PolarHBondContact O-ND2 3.4Å; S850-N853 PolarHBondContact O-N 3Å; N853-V855 PolarHBondContact O-N 3.32Å; N853-L856 PolarHBondContact O-N 3.43Å; N853-M857 VanDerWaalsContact O-CB 3.29Å; N853-M857 WeakPolarHBondContact O-CB 3.33Å; N853-M857 WeakPolarHBondContact O-CG 3.46Å; N853-M857 PolarHBondContact O-N 3.05Å |
| 854 | E | 86.6 | Confident | 79.1 | Confident | 97 Ų | 97 | 68.2 Ų | 68.2 | 45% | 0.453 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 178.4 | -157.4 | -155.1 | 131.7 | 0 | 0 | 111.8 | S850 R851 E852 M857 K858 | S850-E854 PolarHBondContact O-N 3.11Å; R851-E854 WeakPolarHBondContact O-CB 3.09Å; R851-E854 PolarHBondContact O-N 2.72Å; E852-E854 VanDerWaalsContact C-N 3.33Å; E852-E854 PolarHBondContact O-N 2.96Å; E854-M857 PolarHBondContact O-N 2.94Å; E854-K858 WeakPolarHBondContact O-CG 3.28Å; E854-K858 PolarHBondContact O-N 3.03Å; E854-K858 WeakPolarHBondContact OE1-CE 3.45Å; E854-K858 IonicContact OE1-NZ 2.75Å; E854-K858 PolarHBondContact OE1-NZ 3.46Å |
| 855 | V | 83.4 | Confident | 77.8 | Confident | 50 Ų | 50 | 68 Ų | 68 | 30% | 0.303 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.2 | -44.6 | 175 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | R851 E852 N853 M857 K858 I859 L882 | R851-V855 PolarHBondContact O-N 2.81Å; R851-V855 VanDerWaalsContact O-N 3.15Å; E852-V855 PolarHBondContact O-N 3.21Å; N853-V855 PolarHBondContact O-N 3.32Å; V855-M857 VanDerWaalsContact C-N 3.3Å; V855-M857 PolarHBondContact O-N 2.91Å; V855-K858 WeakPolarHBondContact O-CB 3.36Å; V855-K858 PolarHBondContact O-N 2.89Å; V855-K858 VanDerWaalsContact O-N 3.11Å; V855-I859 HydrophobicContact CG1-CD1 4.4Å; V855-I859 WeakPolarHBondContact O-CG1 3.19Å; V855-I859 PolarHBondContact O-N 3.47Å; V855-L882 HydrophobicContact CB-CD2 4.06Å; V855-L882 HydrophobicContact CG1-CD1 4.12Å; V855-L882 HydrophobicContact CG1-CD2 3.99Å; V855-L882 HydrophobicContact CG1-CG 4.28Å |
| 856 | L | 84.8 | Confident | 76.1 | Confident | 4 Ų | 4 | 73.8 Ų | 73.8 | 2% | 0.021 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.3 | -36.5 | 175.9 | -173.3 | 60.6 | 0 | 0 | 0 | 112.4 | E852 N853 I859 T860 L879 L882 Y920 K923 L924 V927 | E852-L856 PolarHBondContact O-N 3.42Å; N853-L856 PolarHBondContact O-N 3.43Å; L856-I859 PolarHBondContact O-N 2.82Å; L856-T860 PolarHBondContact O-N 3.22Å; L856-T860 PolarHBondContact O-OG1 3.22Å; L856-L879 HydrophobicContact CD1-CD1 4.34Å; L856-L882 HydrophobicContact CB-CD1 4.11Å; L856-L882 HydrophobicContact CD1-CD1 4.19Å; L856-Y920 HydrophobicContact CB-CE2 4.2Å; L856-Y920 HydrophobicContact CD2-CD2 3.74Å; L856-Y920 HydrophobicContact CD2-CE2 3.65Å; L856-K923 HydrophobicContact CD2-CB 3.85Å; L856-L924 HydrophobicContact CD1-CD1 3.97Å; L856-L924 HydrophobicContact CD2-CB 4.29Å; L856-L924 HydrophobicContact CD2-CD1 4.49Å; L856-V927 HydrophobicContact CD1-CB 4.16Å; L856-V927 HydrophobicContact CD1-CG1 4.25Å; L856-V927 HydrophobicContact CD1-CG2 3.99Å |
| 857 | M | 81.6 | Confident | 75.1 | Confident | 62 Ų | 62 | 72.7 Ų | 72.7 | 31% | 0.305 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -72 | -29.3 | 174.3 | -69.4 | -69 | -73.1 | 0 | 0 | 112.6 | N853 E854 V855 T860 R861 | N853-M857 VanDerWaalsContact O-CB 3.29Å; N853-M857 WeakPolarHBondContact O-CB 3.33Å; N853-M857 WeakPolarHBondContact O-CG 3.46Å; N853-M857 PolarHBondContact O-N 3.05Å; E854-M857 PolarHBondContact O-N 2.94Å; V855-M857 VanDerWaalsContact C-N 3.3Å; V855-M857 PolarHBondContact O-N 2.91Å; M857-T860 WeakPolarHBondContact CA-OG1 3.23Å; M857-T860 PolarHBondContact O-OG1 2.81Å; M857-R861 VanDerWaalsContact O-CB 3.24Å; M857-R861 WeakPolarHBondContact O-CB 3.28Å; M857-R861 WeakPolarHBondContact O-CD 3.47Å; M857-R861 WeakPolarHBondContact O-CG 3.3Å; M857-R861 PolarHBondContact O-N 3.17Å |
| 858 | K | 78.5 | Confident | 74.5 | Confident | 128 Ų | 128 | 73.2 Ų | 73.2 | 56% | 0.557 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -68.8 | -38.4 | 170.8 | -80.8 | 164.7 | 165.3 | 167.3 | 0 | 112.2 | E854 V855 T860 | E854-K858 WeakPolarHBondContact O-CG 3.28Å; E854-K858 PolarHBondContact O-N 3.03Å; E854-K858 WeakPolarHBondContact OE1-CE 3.45Å; E854-K858 IonicContact OE1-NZ 2.75Å; E854-K858 PolarHBondContact OE1-NZ 3.46Å; V855-K858 WeakPolarHBondContact O-CB 3.36Å; V855-K858 PolarHBondContact O-N 2.89Å; V855-K858 VanDerWaalsContact O-N 3.11Å; K858-T860 VanDerWaalsContact C-N 3.34Å; K858-T860 PolarHBondContact O-N 2.81Å |
| 859 | I | 77.4 | Confident | 73.3 | Confident | 16 Ų | 16 | 76 Ų | 76 | 8% | 0.082 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -64 | -38.1 | 175.2 | -66.3 | 167.8 | 0 | 0 | 0 | 111.5 | V855 L856 R875 N878 L879 L882 V927 | V855-I859 HydrophobicContact CG1-CD1 4.4Å; V855-I859 WeakPolarHBondContact O-CG1 3.19Å; V855-I859 PolarHBondContact O-N 3.47Å; L856-I859 PolarHBondContact O-N 2.82Å; I859-R875 PolarHBondContact O-NH1 2.95Å; I859-N878 HydrophobicContact CD1-CB 4.07Å; I859-L879 HydrophobicContact CD1-CB 4.45Å; I859-L882 HydrophobicContact CD1-CD1 3.91Å; I859-V927 HydrophobicContact CG2-CG1 3.97Å |
| 860 | T | 71.7 | Confident | 72.3 | Confident | 50 Ų | 50 | 83.3 Ų | 83.3 | 31% | 0.307 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -90.3 | -33.1 | -172.9 | 46.4 | 0 | 0 | 0 | 0 | 115.6 | L856 M857 K858 T862 S863 V927 | L856-T860 PolarHBondContact O-N 3.22Å; L856-T860 PolarHBondContact O-OG1 3.22Å; M857-T860 WeakPolarHBondContact CA-OG1 3.23Å; M857-T860 PolarHBondContact O-OG1 2.81Å; K858-T860 VanDerWaalsContact C-N 3.34Å; K858-T860 PolarHBondContact O-N 2.81Å; T860-T862 PolarHBondContact O-N 3.1Å; T860-T862 VanDerWaalsContact O-N 3.1Å; T860-S863 PolarHBondContact O-OG 3.44Å; T860-V927 HydrophobicContact CG2-CG1 4.43Å; T860-V927 HydrophobicContact CG2-CG2 3.3Å |
| 861 | R | 67 | Low | 71.6 | Confident | 179 Ų | 179 | 84.3 Ų | 84.3 | 68% | 0.675 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -13.7 | -174.6 | -84 | 173.1 | 169.2 | 144.7 | -3.7 | 115.7 | M857 | M857-R861 VanDerWaalsContact O-CB 3.24Å; M857-R861 WeakPolarHBondContact O-CB 3.28Å; M857-R861 WeakPolarHBondContact O-CD 3.47Å; M857-R861 WeakPolarHBondContact O-CG 3.3Å; M857-R861 PolarHBondContact O-N 3.17Å |
| 862 | T | 56.6 | Low | 70.9 | Confident | 61 Ų | 61 | 79.3 Ų | 79.3 | 37% | 0.374 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 18.2 | -174 | 42.2 | 0 | 0 | 0 | 0 | 113.9 | T860 K864 R875 | T860-T862 PolarHBondContact O-N 3.1Å; T860-T862 VanDerWaalsContact O-N 3.1Å; T862-K864 PolarHBondContact O-N 2.85Å; T862-R875 PolarHBondContact OG1-NH1 3.33Å; T862-R875 PolarHBondContact OG1-NH2 3.5Å; T862-R875 VanDerWaalsContact OG1-NH2 3.13Å |
| 863 | S | 55.4 | Low | 70.2 | Confident | 101 Ų | 101 | 84.3 Ų | 84.3 | 71% | 0.706 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | 15.4 | -176.1 | 55.7 | 0 | 0 | 0 | 0 | 116.7 | T860 | T860-S863 PolarHBondContact O-OG 3.44Š|
| 864 | K | 50.2 | Low | 69.8 | Low | 209 Ų | 209 | 86.7 Ų | 86.7 | 91% | 0.909 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.1 | 2.3 | -175.5 | -89 | -170.2 | 173.1 | -175.7 | 0 | 115.9 | T862 | T862-K864 PolarHBondContact O-N 2.85Š|
| 865 | S | 52.1 | Low | 69.5 | Low | 79 Ų | 79 | 83.4 Ų | 83.4 | 55% | 0.552 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -124.6 | 151.3 | 172.3 | 49.6 | 0 | 0 | 0 | 0 | 110.6 | L867 | S865-L867 WeakPolarHBondContact O-CD2 3.12Å; S865-L867 PolarHBondContact O-N 2.88Å; S865-L867 VanDerWaalsContact O-N 3.13Å |
| 866 | S | 51.9 | Low | 69.4 | Low | 123 Ų | 123 | 85.1 Ų | 85.1 | 86% | 0.86 | 45% | 0.45 | S | S | * | . | trans | -63.9 | 110 | 172.9 | 50.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 867 | L | 64.4 | Low | 69.1 | Low | 55 Ų | 55 | 86.9 Ų | 86.9 | 29% | 0.288 | 47% | 0.47 | S | S | . | . | trans | -75.7 | 140 | -173 | -56.5 | -179.4 | 0 | 0 | 0 | 111.9 | S865 E871 I872 R875 | S865-L867 WeakPolarHBondContact O-CD2 3.12Å; S865-L867 PolarHBondContact O-N 2.88Å; S865-L867 VanDerWaalsContact O-N 3.13Å; L867-E871 WeakPolarHBondContact CA-OE2 3.47Å; L867-I872 HydrophobicContact CB-CD1 4.26Å; L867-I872 HydrophobicContact CB-CG1 3.92Å; L867-I872 HydrophobicContact CD1-CG1 4.46Å; L867-R875 VanDerWaalsContact CD2-NH2 3.28Å | ||
| 868 | S | 70.7 | Confident | 69.1 | Low | 54 Ų | 54 | 87.8 Ų | 87.8 | 38% | 0.378 | 48% | 0.476 | S | S | . | . | trans | -63.7 | 151.7 | 171.3 | 175.7 | 0 | 0 | 0 | 0 | 111.4 | E870 E871 I872 | S868-E870 PolarHBondContact O-N 3.31Å; S868-E870 PolarHBondContact OG-N 2.87Å; S868-E871 PolarHBondContact N-OE2 2.78Å; S868-E871 WeakPolarHBondContact O-CB 3.42Å; S868-E871 PolarHBondContact O-N 3.08Å; S868-E871 VanDerWaalsContact O-N 3.14Å; S868-I872 WeakPolarHBondContact O-CG1 3.4Å; S868-I872 PolarHBondContact O-N 3.34Å | ||
| 869 | A | 66.4 | Low | 69.4 | Low | 81 Ų | 81 | 82.1 Ų | 82.1 | 67% | 0.669 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -58.1 | -35.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I872 Q873 | A869-I872 PolarHBondContact O-N 3.13Å; A869-Q873 PolarHBondContact O-N 3.48Å; A869-Q873 VanDerWaalsContact O-N 3.13Å |
| 870 | E | 69.7 | Low | 69.7 | Low | 154 Ų | 154 | 87.6 Ų | 87.6 | 72% | 0.72 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.6 | -49 | 173.4 | -65 | -175.9 | 136.7 | 0 | 0 | 110.9 | S868 I872 Q873 T874 | S868-E870 PolarHBondContact O-N 3.31Å; S868-E870 PolarHBondContact OG-N 2.87Å; E870-I872 VanDerWaalsContact C-N 3.3Å; E870-I872 PolarHBondContact O-N 2.97Å; E870-Q873 CarbonylContact O-C 3.55Å; E870-Q873 WeakPolarHBondContact O-CA 3.21Å; E870-Q873 PolarHBondContact O-N 3.32Å; E870-T874 PolarHBondContact O-N 2.85Å; E870-T874 PolarHBondContact O-OG1 3.42Å |
| 871 | E | 70.7 | Confident | 70.3 | Confident | 73 Ų | 73 | 86.9 Ų | 86.9 | 34% | 0.341 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.4 | -40.4 | 177.1 | -74 | -174.8 | 89.5 | 0 | 0 | 112.6 | L867 S868 Q873 T874 R875 | L867-E871 WeakPolarHBondContact CA-OE2 3.47Å; S868-E871 PolarHBondContact N-OE2 2.78Å; S868-E871 WeakPolarHBondContact O-CB 3.42Å; S868-E871 PolarHBondContact O-N 3.08Å; S868-E871 VanDerWaalsContact O-N 3.14Å; E871-Q873 VanDerWaalsContact C-N 3.29Å; E871-Q873 PolarHBondContact O-N 2.89Å; E871-T874 PolarHBondContact O-N 3.36Å; E871-R875 WeakPolarHBondContact O-CB 3.47Å; E871-R875 WeakPolarHBondContact O-CD 3.17Å; E871-R875 WeakPolarHBondContact O-CG 3.04Å; E871-R875 PolarHBondContact O-N 2.79Å; E871-R875 IonicContact OE1-CZ 2.67Å; E871-R875 IonicContact OE1-NH2 2.84Å; E871-R875 PolarHBondContact OE1-NH2 2.68Å |
| 872 | I | 72.3 | Confident | 71.3 | Confident | 47 Ų | 47 | 78.4 Ų | 78.4 | 24% | 0.241 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 176.4 | -68.3 | 166.8 | 0 | 0 | 0 | 110.1 | L867 S868 A869 E870 R875 R876 | L867-I872 HydrophobicContact CB-CD1 4.26Å; L867-I872 HydrophobicContact CB-CG1 3.92Å; L867-I872 HydrophobicContact CD1-CG1 4.46Å; S868-I872 WeakPolarHBondContact O-CG1 3.4Å; S868-I872 PolarHBondContact O-N 3.34Å; A869-I872 PolarHBondContact O-N 3.13Å; E870-I872 VanDerWaalsContact C-N 3.3Å; E870-I872 PolarHBondContact O-N 2.97Å; I872-R875 PolarHBondContact O-N 2.59Å; I872-R876 WeakPolarHBondContact O-CB 3.38Å; I872-R876 PolarHBondContact O-N 3.37Å |
| 873 | Q | 75.9 | Confident | 72.7 | Confident | 113 Ų | 113 | 78.1 Ų | 78.1 | 53% | 0.528 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -72.2 | -37.6 | 177.1 | -169.3 | 67.2 | -6.6 | 0 | 0 | 112.3 | A869 E870 E871 R876 G877 | A869-Q873 PolarHBondContact O-N 3.48Å; A869-Q873 VanDerWaalsContact O-N 3.13Å; E870-Q873 CarbonylContact O-C 3.55Å; E870-Q873 WeakPolarHBondContact O-CA 3.21Å; E870-Q873 PolarHBondContact O-N 3.32Å; E871-Q873 VanDerWaalsContact C-N 3.29Å; E871-Q873 PolarHBondContact O-N 2.89Å; Q873-R876 PolarHBondContact O-N 3.23Å; Q873-G877 PolarHBondContact O-N 3.25Å |
| 874 | T | 78.3 | Confident | 74 | Confident | 84 Ų | 84 | 77.3 Ų | 77.3 | 52% | 0.515 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 172.1 | -44.5 | 0 | 0 | 0 | 0 | 111.4 | E870 E871 G877 N878 | E870-T874 PolarHBondContact O-N 2.85Å; E870-T874 PolarHBondContact O-OG1 3.42Å; E871-T874 PolarHBondContact O-N 3.36Å; T874-G877 PolarHBondContact O-N 3.3Å; T874-N878 WeakPolarHBondContact O-CB 3.46Å; T874-N878 VanDerWaalsContact O-CG 3.29Å; T874-N878 PolarHBondContact O-N 3.17Å; T874-N878 PolarHBondContact O-ND2 2.73Å |
| 875 | R | 80.8 | Confident | 75.8 | Confident | 28 Ų | 28 | 71.7 Ų | 71.7 | 11% | 0.106 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 174.5 | -70.8 | 156.5 | -165.6 | -97.8 | -1 | 111.5 | I859 T862 L867 E871 I872 N878 L879 | I859-R875 PolarHBondContact O-NH1 2.95Å; T862-R875 PolarHBondContact OG1-NH1 3.33Å; T862-R875 PolarHBondContact OG1-NH2 3.5Å; T862-R875 VanDerWaalsContact OG1-NH2 3.13Å; L867-R875 VanDerWaalsContact CD2-NH2 3.28Å; E871-R875 WeakPolarHBondContact O-CB 3.47Å; E871-R875 WeakPolarHBondContact O-CD 3.17Å; E871-R875 WeakPolarHBondContact O-CG 3.04Å; E871-R875 PolarHBondContact O-N 2.79Å; E871-R875 IonicContact OE1-CZ 2.67Å; E871-R875 IonicContact OE1-NH2 2.84Å; E871-R875 PolarHBondContact OE1-NH2 2.68Å; I872-R875 PolarHBondContact O-N 2.59Å; R875-N878 PolarHBondContact O-N 3.29Å; R875-L879 VanDerWaalsContact O-CB 3.29Å; R875-L879 WeakPolarHBondContact O-CB 3.26Å; R875-L879 PolarHBondContact O-N 3Å |
| 876 | R | 80.3 | Confident | 77.6 | Confident | 86 Ų | 86 | 70.2 Ų | 70.2 | 33% | 0.325 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.2 | -46.6 | 174.1 | -177.5 | 176.6 | -70.9 | 133.6 | -2.6 | 111.6 | I872 Q873 L879 Q880 | I872-R876 WeakPolarHBondContact O-CB 3.38Å; I872-R876 PolarHBondContact O-N 3.37Å; Q873-R876 PolarHBondContact O-N 3.23Å; R876-L879 PolarHBondContact O-N 3.49Å; R876-Q880 WeakPolarHBondContact O-CB 3.44Å; R876-Q880 PolarHBondContact O-N 2.82Å |
| 877 | G | 79.1 | Confident | 79.2 | Confident | 42 Ų | 42 | 68.6 Ų | 68.6 | 43% | 0.433 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.6 | -47.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q873 T874 L879 Q880 A881 | Q873-G877 PolarHBondContact O-N 3.25Å; T874-G877 PolarHBondContact O-N 3.3Å; G877-L879 PolarHBondContact O-N 3.36Å; G877-Q880 PolarHBondContact O-N 3.43Å; G877-A881 PolarHBondContact O-N 2.97Å |
| 878 | N | 82.8 | Confident | 80.2 | Confident | 80 Ų | 80 | 70.4 Ų | 70.4 | 43% | 0.428 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.4 | -39.4 | 177.3 | -72.2 | -19.8 | 0 | 0 | 0 | 112.5 | I859 T874 R875 A881 L882 | I859-N878 HydrophobicContact CD1-CB 4.07Å; T874-N878 WeakPolarHBondContact O-CB 3.46Å; T874-N878 VanDerWaalsContact O-CG 3.29Å; T874-N878 PolarHBondContact O-N 3.17Å; T874-N878 PolarHBondContact O-ND2 2.73Å; R875-N878 PolarHBondContact O-N 3.29Å; N878-A881 PolarHBondContact O-N 3.27Å; N878-L882 PolarHBondContact O-N 2.94Å; N878-L882 VanDerWaalsContact O-N 3.17Å |
| 879 | L | 84.7 | Confident | 80.9 | Confident | 10 Ų | 10 | 67.8 Ų | 67.8 | 5% | 0.052 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.9 | -44.4 | 174.3 | -176.6 | 73.7 | 0 | 0 | 0 | 111.4 | L856 I859 R875 R876 G877 A881 L882 I883 L924 V927 E928 L931 | L856-L879 HydrophobicContact CD1-CD1 4.34Å; I859-L879 HydrophobicContact CD1-CB 4.45Å; R875-L879 VanDerWaalsContact O-CB 3.29Å; R875-L879 WeakPolarHBondContact O-CB 3.26Å; R875-L879 PolarHBondContact O-N 3Å; R876-L879 PolarHBondContact O-N 3.49Å; G877-L879 PolarHBondContact O-N 3.36Å; L879-A881 PolarHBondContact O-N 3.46Å; L879-L882 WeakPolarHBondContact O-CB 3.26Å; L879-L882 PolarHBondContact O-N 3.33Å; L879-L882 VanDerWaalsContact O-N 3.07Å; L879-I883 HydrophobicContact CD2-CD1 4.3Å; L879-I883 HydrophobicContact CG-CD1 3.99Å; L879-I883 WeakPolarHBondContact O-CG1 3.35Å; L879-I883 PolarHBondContact O-N 3.46Å; L879-L924 HydrophobicContact CD1-CD1 3.57Å; L879-V927 HydrophobicContact CD1-CB 4.4Å; L879-V927 HydrophobicContact CD1-CG1 3.89Å; L879-V927 HydrophobicContact CD2-CG1 4.47Å; L879-E928 HydrophobicContact CD2-CB 4Å; L879-E928 HydrophobicContact CD2-CG 4.46Å; L879-L931 HydrophobicContact CD2-CD1 4.01Å |
| 880 | Q | 83.1 | Confident | 82 | Confident | 131 Ų | 131 | 66.8 Ų | 66.8 | 61% | 0.612 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.6 | -30.5 | 179.4 | -165.6 | 164.4 | -6.8 | 0 | 0 | 111.7 | R876 G877 I883 S884 | R876-Q880 WeakPolarHBondContact O-CB 3.44Å; R876-Q880 PolarHBondContact O-N 2.82Å; G877-Q880 PolarHBondContact O-N 3.43Å; Q880-I883 PolarHBondContact O-N 3.46Å; Q880-S884 PolarHBondContact O-N 3.02Å; Q880-S884 PolarHBondContact O-OG 2.89Å |
| 881 | A | 83.3 | Confident | 82.6 | Confident | 35 Ų | 35 | 65.4 Ų | 65.4 | 29% | 0.289 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -69.3 | -34.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | G877 N878 L879 S884 R885 | G877-A881 PolarHBondContact O-N 2.97Å; N878-A881 PolarHBondContact O-N 3.27Å; L879-A881 PolarHBondContact O-N 3.46Å; A881-S884 WeakPolarHBondContact CA-OG 3.32Å; A881-S884 PolarHBondContact O-OG 3.28Å; A881-R885 PolarHBondContact O-N 3.16Å |
| 882 | L | 88.9 | Confident | 83.2 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.1 | -44.4 | 170.3 | -65.8 | 174.1 | 0 | 0 | 0 | 110.7 | E852 V855 L856 I859 N878 L879 S884 R885 L886 L924 | E852-L882 WeakPolarHBondContact OE1-CD2 3.36Å; E852-L882 VanDerWaalsContact OE2-CD2 3.29Å; E852-L882 WeakPolarHBondContact OE2-CD2 3.2Å; V855-L882 HydrophobicContact CB-CD2 4.06Å; V855-L882 HydrophobicContact CG1-CD1 4.12Å; V855-L882 HydrophobicContact CG1-CD2 3.99Å; V855-L882 HydrophobicContact CG1-CG 4.28Å; L856-L882 HydrophobicContact CB-CD1 4.11Å; L856-L882 HydrophobicContact CD1-CD1 4.19Å; I859-L882 HydrophobicContact CD1-CD1 3.91Å; N878-L882 PolarHBondContact O-N 2.94Å; N878-L882 VanDerWaalsContact O-N 3.17Å; L879-L882 WeakPolarHBondContact O-CB 3.26Å; L879-L882 PolarHBondContact O-N 3.33Å; L879-L882 VanDerWaalsContact O-N 3.07Å; L882-S884 VanDerWaalsContact C-N 3.32Å; L882-S884 PolarHBondContact O-N 2.81Å; L882-R885 PolarHBondContact O-N 3.46Å; L882-R885 VanDerWaalsContact O-N 3.12Å; L882-L886 PolarHBondContact O-N 2.88Å; L882-L924 HydrophobicContact CB-CD1 3.8Å; L882-L924 HydrophobicContact CD1-CD1 4.01Å |
| 883 | I | 85.9 | Confident | 83.8 | Confident | 55 Ų | 55 | 62.1 Ų | 62.1 | 28% | 0.282 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.1 | -40.4 | 177.3 | -66.6 | 166.4 | 0 | 0 | 0 | 110.9 | L879 Q880 R885 L886 L924 E928 | L879-I883 HydrophobicContact CD2-CD1 4.3Å; L879-I883 HydrophobicContact CG-CD1 3.99Å; L879-I883 WeakPolarHBondContact O-CG1 3.35Å; L879-I883 PolarHBondContact O-N 3.46Å; Q880-I883 PolarHBondContact O-N 3.46Å; I883-R885 VanDerWaalsContact C-N 3.28Å; I883-R885 PolarHBondContact O-N 3.07Å; I883-L886 VanDerWaalsContact O-CB 3.24Å; I883-L886 WeakPolarHBondContact O-CB 3.42Å; I883-L886 PolarHBondContact O-N 3.49Å; I883-L886 VanDerWaalsContact O-N 3.15Å; I883-L924 HydrophobicContact CG1-CD1 4.42Å; I883-L924 HydrophobicContact CG1-CD2 4.09Å; I883-L924 HydrophobicContact CG1-CG 4.25Å; I883-E928 HydrophobicContact CD1-CG 4.32Å |
| 884 | S | 83.7 | Confident | 84.1 | Confident | 85 Ų | 85 | 62 Ų | 62 | 59% | 0.594 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -67.8 | -22 | 176.6 | 60.5 | 0 | 0 | 0 | 0 | 114.6 | Q880 A881 L882 P887 | Q880-S884 PolarHBondContact O-N 3.02Å; Q880-S884 PolarHBondContact O-OG 2.89Å; A881-S884 WeakPolarHBondContact CA-OG 3.32Å; A881-S884 PolarHBondContact O-OG 3.28Å; L882-S884 VanDerWaalsContact C-N 3.32Å; L882-S884 PolarHBondContact O-N 2.81Å; S884-P887 WeakPolarHBondContact O-CD 3.39Å |
| 885 | R | 87.9 | Confident | 84.2 | Confident | 91 Ų | 91 | 60.9 Ų | 60.9 | 34% | 0.343 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -90.4 | -5.5 | 173.1 | -70.2 | -164.9 | -65.3 | -96.2 | 2.4 | 113.6 | W848 E852 A881 L882 I883 P887 E888 G889 | W848-R885 HydrophobicContact CZ2-CB 4.32Å; W848-R885 WeakPolarHBondContact CZ2-O 3.27Å; E852-R885 IonicContact OE1-CZ 2.86Å; E852-R885 IonicContact OE1-NE 2.72Å; E852-R885 PolarHBondContact OE1-NE 3Å; E852-R885 IonicContact OE1-NH2 2.64Å; E852-R885 PolarHBondContact OE1-NH2 2.62Å; E852-R885 IonicContact OE2-NE 3.61Å; A881-R885 PolarHBondContact O-N 3.16Å; L882-R885 PolarHBondContact O-N 3.46Å; L882-R885 VanDerWaalsContact O-N 3.12Å; I883-R885 VanDerWaalsContact C-N 3.28Å; I883-R885 PolarHBondContact O-N 3.07Å; R885-P887 VanDerWaalsContact C-CD 3.45Å; R885-E888 WeakPolarHBondContact O-CB 3.3Å; R885-E888 PolarHBondContact O-N 3.36Å; R885-E888 VanDerWaalsContact O-N 3.16Å; R885-G889 PolarHBondContact O-N 2.92Å |
| 886 | L | 89.1 | Confident | 84.1 | Confident | 48 Ų | 48 | 59.7 Ų | 59.7 | 25% | 0.251 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.7 | -36.3 | 178.5 | -163.8 | 70.7 | 0 | 0 | 0 | 114.4 | L882 I883 Q890 W917 Y920 K921 L924 | L882-L886 PolarHBondContact O-N 2.88Å; I883-L886 VanDerWaalsContact O-CB 3.24Å; I883-L886 WeakPolarHBondContact O-CB 3.42Å; I883-L886 PolarHBondContact O-N 3.49Å; I883-L886 VanDerWaalsContact O-N 3.15Å; L886-Q890 WeakPolarHBondContact O-CB 3.44Å; L886-Q890 PolarHBondContact O-N 3.28Å; L886-W917 HydrophobicContact CD1-CH2 3.58Å; L886-W917 HydrophobicContact CD1-CZ3 3.97Å; L886-W917 HydrophobicContact CG-CH2 4.37Å; L886-Y920 HydrophobicContact CD1-CD1 4.5Å; L886-Y920 HydrophobicContact CD1-CE1 4.07Å; L886-K921 HydrophobicContact CD1-CD 4.37Å; L886-K921 HydrophobicContact CD1-CG 3.9Å; L886-L924 HydrophobicContact CD1-CD2 4.03Å; L886-L924 HydrophobicContact CD2-CD2 4.42Å |
| 887 | P | 86.2 | Confident | 83.9 | Confident | 88 Ų | 88 | 57.5 Ų | 57.5 | 57% | 0.571 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -64.9 | -39 | 174.1 | -22.2 | 35 | 0 | 0 | 0 | 113.4 | S884 R885 Q890 Q891 | S884-P887 WeakPolarHBondContact O-CD 3.39Å; R885-P887 VanDerWaalsContact C-CD 3.45Å; P887-Q890 PolarHBondContact O-N 3.47Å; P887-Q891 WeakPolarHBondContact O-CB 3.43Å; P887-Q891 PolarHBondContact O-N 2.97Å |
| 888 | E | 84.9 | Confident | 83.6 | Confident | 93 Ų | 93 | 62.2 Ų | 62.2 | 44% | 0.435 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.6 | -49.6 | 177.2 | -177 | -167.7 | -148 | 0 | 0 | 110.4 | W848 R885 Q890 Q891 M892 | W848-E888 PolarHBondContact NE1-OE2 3.04Å; W848-E888 VanDerWaalsContact NE1-OE2 3.1Å; R885-E888 WeakPolarHBondContact O-CB 3.3Å; R885-E888 PolarHBondContact O-N 3.36Å; R885-E888 VanDerWaalsContact O-N 3.16Å; E888-Q890 PolarHBondContact O-N 3.43Å; E888-Q891 PolarHBondContact O-N 3.01Å; E888-M892 HydrophobicContact CG-CE 4.28Å; E888-M892 WeakPolarHBondContact O-CG 3.4Å; E888-M892 PolarHBondContact O-N 2.67Å |
| 889 | G | 85.6 | Confident | 82.9 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.7 | -42 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F845 R885 Q891 M892 F893 | F845-G889 WeakPolarHBondContact CE2-O 3.33Å; R885-G889 PolarHBondContact O-N 2.92Å; G889-Q891 VanDerWaalsContact C-N 3.32Å; G889-Q891 PolarHBondContact O-N 3.05Å; G889-M892 PolarHBondContact O-N 3.31Å; G889-F893 VanDerWaalsContact O-CB 3.25Å; G889-F893 WeakPolarHBondContact O-CB 3.48Å; G889-F893 PolarHBondContact O-N 2.8Å |
| 890 | Q | 88 | Confident | 81.9 | Confident | 59 Ų | 59 | 62.3 Ų | 62.3 | 28% | 0.276 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.5 | -35.1 | 178.1 | -174.9 | 58.1 | 45 | 0 | 0 | 112.1 | L886 P887 E888 Q894 W917 | L886-Q890 WeakPolarHBondContact O-CB 3.44Å; L886-Q890 PolarHBondContact O-N 3.28Å; P887-Q890 PolarHBondContact O-N 3.47Å; E888-Q890 PolarHBondContact O-N 3.43Å; Q890-Q894 WeakPolarHBondContact O-CG 3.37Å; Q890-Q894 PolarHBondContact O-N 3.01Å; Q890-W917 HydrophobicContact CB-CZ2 3.88Å |
| 891 | Q | 82.9 | Confident | 80.6 | Confident | 125 Ų | 125 | 64.3 Ų | 64.3 | 58% | 0.584 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -70 | -46.8 | 175.2 | -172.5 | 177.1 | 9.4 | 0 | 0 | 111.8 | P887 E888 G889 F893 Q894 L895 | P887-Q891 WeakPolarHBondContact O-CB 3.43Å; P887-Q891 PolarHBondContact O-N 2.97Å; E888-Q891 PolarHBondContact O-N 3.01Å; G889-Q891 VanDerWaalsContact C-N 3.32Å; G889-Q891 PolarHBondContact O-N 3.05Å; Q891-F893 VanDerWaalsContact C-N 3.3Å; Q891-F893 PolarHBondContact O-N 3.24Å; Q891-Q894 PolarHBondContact O-N 2.83Å; Q891-L895 HydrophobicContact CG-CD1 4.32Å; Q891-L895 WeakPolarHBondContact O-CG 3.33Å; Q891-L895 PolarHBondContact O-N 3.38Å |
| 892 | M | 83.3 | Confident | 79 | Confident | 33 Ų | 33 | 67.3 Ų | 67.3 | 16% | 0.163 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.3 | -40.6 | 175.5 | -69.4 | -163.7 | -73.5 | 0 | 0 | 112.1 | I840 F845 W848 E888 G889 L895 L896 | I840-M892 HydrophobicContact CD1-CB 4.29Å; I840-M892 HydrophobicContact CD1-CG 3.99Å; F845-M892 HydrophobicContact CD2-CB 3.82Å; F845-M892 HydrophobicContact CD2-CE 4.31Å; F845-M892 HydrophobicContact CE2-CB 4.47Å; W848-M892 HydrophobicContact CB-CE 3.99Å; W848-M892 VanDerWaalsContact CD1-CE 3.49Å; W848-M892 HydrophobicContact CD2-CE 3.63Å; W848-M892 HydrophobicContact CE3-CE 4.28Å; W848-M892 HydrophobicContact CG-CE 3.45Å; W848-M892 VanDerWaalsContact CG-CE 3.45Å; E888-M892 HydrophobicContact CG-CE 4.28Å; E888-M892 WeakPolarHBondContact O-CG 3.4Å; E888-M892 PolarHBondContact O-N 2.67Å; G889-M892 PolarHBondContact O-N 3.31Å; M892-L895 PolarHBondContact O-N 2.89Å; M892-L896 PolarHBondContact O-N 3.46Å |
| 893 | F | 84.6 | Confident | 77.1 | Confident | 18 Ų | 18 | 77.3 Ų | 77.3 | 8% | 0.079 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.8 | -38.8 | 176.6 | -175 | -102.7 | 0 | 0 | 0 | 112.7 | F845 G889 Q891 L896 L897 R914 W917 | F845-F893 AromaticContact CE1-CD2 3.77Å; F845-F893 HydrophobicContact CE1-CD2 3.77Å; F845-F893 HydrophobicContact CE2-CB 3.94Å; F845-F893 HydrophobicContact CZ-CB 3.93Å; F845-F893 AromaticContact CZ-CD2 3.76Å; F845-F893 HydrophobicContact CZ-CD2 3.76Å; F845-F893 HydrophobicContact CZ-CG 4.26Å; G889-F893 VanDerWaalsContact O-CB 3.25Å; G889-F893 WeakPolarHBondContact O-CB 3.48Å; G889-F893 PolarHBondContact O-N 2.8Å; Q891-F893 VanDerWaalsContact C-N 3.3Å; Q891-F893 PolarHBondContact O-N 3.24Å; F893-L896 PolarHBondContact O-N 2.71Å; F893-L897 HydrophobicContact CD1-CD1 3.86Å; F893-L897 HydrophobicContact CD1-CG 4.49Å; F893-L897 HydrophobicContact CE1-CD1 3.54Å; F893-L897 HydrophobicContact CE1-CG 4.27Å; F893-L897 HydrophobicContact CZ-CD1 4.18Å; F893-L897 WeakPolarHBondContact O-CG 3.43Å; F893-L897 PolarHBondContact O-N 2.85Å; F893-R914 HydrophobicContact CE2-CG 4.31Å; F893-R914 HydrophobicContact CZ-CB 4.43Å; F893-R914 HydrophobicContact CZ-CG 3.81Å; F893-W917 AromaticContact CD1-CD1 3.48Å; F893-W917 VanDerWaalsContact CD1-CD1 3.48Å; F893-W917 AromaticContact CD1-NE1 3.41Å; F893-W917 HydrophobicContact CD2-CB 4.35Å; F893-W917 AromaticContact CD2-CD1 3.6Å; F893-W917 HydrophobicContact CD2-CG 4.07Å; F893-W917 AromaticContact CE1-CD1 3.45Å; F893-W917 VanDerWaalsContact CE1-CD1 3.45Å; F893-W917 AromaticContact CE1-NE1 3.8Å; F893-W917 HydrophobicContact CE2-CB 4.09Å; F893-W917 AromaticContact CE2-CD1 3.58Å; F893-W917 HydrophobicContact CE2-CG 4.11Å; F893-W917 AromaticContact CG-CD1 3.54Å; F893-W917 HydrophobicContact CG-CG 4.31Å; F893-W917 AromaticContact CG-NE1 3.55Å; F893-W917 AromaticContact CZ-CD1 3.5Å; F893-W917 VanDerWaalsContact CZ-CD1 3.5Å; F893-W917 HydrophobicContact CZ-CG 4.37Å |
| 894 | Q | 83 | Confident | 75 | Confident | 111 Ų | 111 | 84.5 Ų | 84.5 | 52% | 0.519 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.7 | -41.4 | 173.4 | -80.6 | 176 | -33.7 | 0 | 0 | 112.3 | Q890 Q891 L896 L897 Q898 | Q890-Q894 WeakPolarHBondContact O-CG 3.37Å; Q890-Q894 PolarHBondContact O-N 3.01Å; Q891-Q894 PolarHBondContact O-N 2.83Å; Q894-L896 VanDerWaalsContact C-N 3.34Å; Q894-L896 PolarHBondContact O-N 3.47Å; Q894-L897 PolarHBondContact O-N 3.45Å; Q894-Q898 WeakPolarHBondContact O-CB 3.33Å; Q894-Q898 PolarHBondContact O-N 2.92Å |
| 895 | L | 80.6 | Confident | 73.5 | Confident | 61 Ų | 61 | 83.3 Ų | 83.3 | 32% | 0.319 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.7 | -38.1 | 176.1 | -72 | 167.9 | 0 | 0 | 0 | 112.2 | I840 Q891 M892 Q899 | I840-L895 HydrophobicContact CD1-CB 4.1Å; I840-L895 HydrophobicContact CD1-CD1 3.61Å; Q891-L895 HydrophobicContact CG-CD1 4.32Å; Q891-L895 WeakPolarHBondContact O-CG 3.33Å; Q891-L895 PolarHBondContact O-N 3.38Å; M892-L895 PolarHBondContact O-N 2.89Å; L895-Q899 VanDerWaalsContact O-CG 3.3Å; L895-Q899 WeakPolarHBondContact O-CG 3.14Å; L895-Q899 PolarHBondContact O-N 3.01Å; L895-Q899 VanDerWaalsContact O-N 3.15Å |
| 896 | L | 79.1 | Confident | 71.6 | Confident | 2 Ų | 2 | 87.3 Ų | 87.3 | 1% | 0.01 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -63.2 | -49.9 | 172.5 | -85.6 | 164.1 | 0 | 0 | 0 | 112.2 | I840 W842 F845 M892 F893 Q894 Q898 Q899 T900 | I840-L896 HydrophobicContact CG2-CG 4.44Å; W842-L896 HydrophobicContact CD2-CD2 3.85Å; W842-L896 HydrophobicContact CE3-CD2 4.28Å; W842-L896 HydrophobicContact CG-CD2 4.09Å; W842-L896 HydrophobicContact CZ2-CD2 4.32Å; F845-L896 HydrophobicContact CB-CD1 3.38Å; F845-L896 HydrophobicContact CD1-CD1 4.11Å; F845-L896 HydrophobicContact CG-CD1 3.79Å; M892-L896 PolarHBondContact O-N 3.46Å; F893-L896 PolarHBondContact O-N 2.71Å; Q894-L896 VanDerWaalsContact C-N 3.34Å; Q894-L896 PolarHBondContact O-N 3.47Å; L896-Q898 VanDerWaalsContact C-N 3.3Å; L896-Q898 PolarHBondContact O-N 3.27Å; L896-Q899 PolarHBondContact O-N 3.13Å; L896-T900 PolarHBondContact O-N 2.85Å; L896-T900 PolarHBondContact O-OG1 3.02Å |
| 897 | L | 75.7 | Confident | 70.1 | Confident | 41 Ų | 41 | 89.3 Ų | 89.3 | 22% | 0.215 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -57.7 | -41.5 | 177.5 | -74.7 | 174 | 0 | 0 | 0 | 112.5 | F893 Q894 Q899 T900 Q901 L910 | F893-L897 HydrophobicContact CD1-CD1 3.86Å; F893-L897 HydrophobicContact CD1-CG 4.49Å; F893-L897 HydrophobicContact CE1-CD1 3.54Å; F893-L897 HydrophobicContact CE1-CG 4.27Å; F893-L897 HydrophobicContact CZ-CD1 4.18Å; F893-L897 WeakPolarHBondContact O-CG 3.43Å; F893-L897 PolarHBondContact O-N 2.85Å; Q894-L897 PolarHBondContact O-N 3.45Å; L897-Q899 VanDerWaalsContact C-N 3.26Å; L897-Q899 PolarHBondContact O-N 2.8Å; L897-T900 PolarHBondContact O-N 2.86Å; L897-Q901 PolarHBondContact O-N 3.19Å; L897-L910 HydrophobicContact CD2-CD1 3.86Å; L897-L910 HydrophobicContact CD2-CD2 4.11Å |
| 898 | Q | 72.8 | Confident | 68.6 | Low | 140 Ų | 140 | 93.3 Ų | 93.3 | 65% | 0.654 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -68.9 | -25.2 | 178.8 | -163.8 | 171.3 | 35.3 | 0 | 0 | 112.5 | Q894 L896 | Q894-Q898 WeakPolarHBondContact O-CB 3.33Å; Q894-Q898 PolarHBondContact O-N 2.92Å; L896-Q898 VanDerWaalsContact C-N 3.3Å; L896-Q898 PolarHBondContact O-N 3.27Å |
| 899 | Q | 68.3 | Low | 67.7 | Low | 66 Ų | 66 | 92.8 Ų | 92.8 | 31% | 0.308 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -82.2 | -33.1 | 172.8 | -70.2 | 175.6 | 39.3 | 0 | 0 | 112.3 | L895 L896 L897 Q901 S902 | L895-Q899 VanDerWaalsContact O-CG 3.3Å; L895-Q899 WeakPolarHBondContact O-CG 3.14Å; L895-Q899 PolarHBondContact O-N 3.01Å; L895-Q899 VanDerWaalsContact O-N 3.15Å; L896-Q899 PolarHBondContact O-N 3.13Å; L897-Q899 VanDerWaalsContact C-N 3.26Å; L897-Q899 PolarHBondContact O-N 2.8Å; Q899-Q901 VanDerWaalsContact C-N 3.34Å; Q899-Q901 PolarHBondContact O-N 3.45Å; Q899-S902 PolarHBondContact O-N 3.47Å; Q899-S902 PolarHBondContact O-OG 3.19Å |
| 900 | T | 62.2 | Low | 67 | Low | 26 Ų | 26 | 93.3 Ų | 93.3 | 16% | 0.16 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -66.7 | -33.2 | -179.8 | -22.3 | 0 | 0 | 0 | 0 | 112.9 | W842 L896 L897 S902 R903 L910 | W842-T900 HydrophobicContact CH2-CG2 3.9Å; W842-T900 WeakPolarHBondContact CH2-OG1 3.3Å; W842-T900 HydrophobicContact CZ2-CG2 3.79Å; W842-T900 WeakPolarHBondContact CZ2-OG1 3.33Å; L896-T900 PolarHBondContact O-N 2.85Å; L896-T900 PolarHBondContact O-OG1 3.02Å; L897-T900 PolarHBondContact O-N 2.86Å; T900-S902 PolarHBondContact O-N 3.27Å; T900-R903 PolarHBondContact O-N 3.2Å; T900-L910 HydrophobicContact CG2-CD2 4.02Å |
| 901 | Q | 56.7 | Low | 66.3 | Low | 173 Ų | 173 | 96.1 Ų | 96.1 | 81% | 0.808 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -7.3 | 177.3 | -72 | 177.6 | -18.8 | 0 | 0 | 114.8 | L897 Q899 | L897-Q901 PolarHBondContact O-N 3.19Å; Q899-Q901 VanDerWaalsContact C-N 3.34Å; Q899-Q901 PolarHBondContact O-N 3.45Å |
| 902 | S | 49.1 | Very low | 66.2 | Low | 98 Ų | 98 | 93.6 Ų | 93.6 | 69% | 0.685 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -2.8 | 176.6 | 71 | 0 | 0 | 0 | 0 | 115.3 | Q899 T900 | Q899-S902 PolarHBondContact O-N 3.47Å; Q899-S902 PolarHBondContact O-OG 3.19Å; T900-S902 PolarHBondContact O-N 3.27Å |
| 903 | R | 49.9 | Very low | 66.1 | Low | 210 Ų | 210 | 92.4 Ų | 92.4 | 79% | 0.792 | 47% | 0.467 | S | S | * | . | trans | -130.5 | 122.3 | 179.7 | -76.9 | -176.5 | 166.6 | -166.2 | -5.8 | 111.1 | T900 | T900-R903 PolarHBondContact O-N 3.2Š| ||
| 904 | Q | 42.6 | Very low | 66 | Low | 206 Ų | 206 | 96.7 Ų | 96.7 | 96% | 0.963 | 48% | 0.483 | S | S | * | . | trans | -85.4 | 130.2 | 169.7 | -70 | -179.8 | -44.5 | 0 | 0 | 110.1 | ||||
| 905 | G | 51.5 | Low | 66 | Low | 60 Ų | 60 | 98.4 Ų | 98.4 | 62% | 0.619 | 49% | 0.486 | S | S | * | . | S | Bend | trans | 90.2 | 77.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 906 | E | 47.9 | Very low | 66.3 | Low | 175 Ų | 175 | 98.9 Ų | 98.9 | 82% | 0.818 | 48% | 0.483 | S | S | * | . | trans | 176.9 | 60.7 | 149.6 | -102.1 | 171.4 | -152.5 | 0 | 0 | 109.5 | ||||
| 907 | D | 56.8 | Low | 66.9 | Low | 91 Ų | 91 | 98.8 Ų | 98.8 | 49% | 0.487 | 48% | 0.483 | S | S | . | . | trans | -84.7 | -21.5 | -168.2 | -69.9 | -77.7 | 0 | 0 | 0 | 115.7 | L910 E911 | D907-L910 WeakPolarHBondContact O-CB 3.34Å; D907-L910 PolarHBondContact O-N 3.37Å; D907-E911 PolarHBondContact O-N 2.89Å | ||
| 908 | E | 56.1 | Low | 67.4 | Low | 171 Ų | 171 | 100.9 Ų | 100.9 | 80% | 0.799 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -53.2 | -46.3 | -175.2 | -166.4 | 171.7 | -155.7 | 0 | 0 | 114.9 | L910 E911 D912 | E908-L910 VanDerWaalsContact C-N 3.31Å; E908-L910 PolarHBondContact O-N 2.91Å; E908-E911 PolarHBondContact O-N 3.38Å; E908-D912 PolarHBondContact O-N 3.17Å |
| 909 | P | 64.3 | Low | 68.1 | Low | 83 Ų | 83 | 97 Ų | 97 | 54% | 0.539 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -71.2 | -21.4 | 177 | 28.6 | -35.7 | 0 | 0 | 0 | 114 | L913 | P909-L913 WeakPolarHBondContact O-CB 3.25Å; P909-L913 PolarHBondContact O-N 3.05Å |
| 910 | L | 72.2 | Confident | 69.2 | Low | 10 Ų | 10 | 93.9 Ų | 93.9 | 5% | 0.052 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -72.6 | -33.8 | 172.5 | 169.8 | 60 | 0 | 0 | 0 | 111 | W842 L897 T900 D907 E908 L913 R914 | W842-L910 HydrophobicContact CH2-CB 3.87Å; W842-L910 HydrophobicContact CH2-CD1 3.79Å; W842-L910 HydrophobicContact CH2-CD2 4.28Å; W842-L910 HydrophobicContact CH2-CG 4.16Å; W842-L910 HydrophobicContact CZ3-CB 3.83Å; W842-L910 HydrophobicContact CZ3-CD1 3.69Å; W842-L910 HydrophobicContact CZ3-CG 4.27Å; L897-L910 HydrophobicContact CD2-CD1 3.86Å; L897-L910 HydrophobicContact CD2-CD2 4.11Å; T900-L910 HydrophobicContact CG2-CD2 4.02Å; D907-L910 WeakPolarHBondContact O-CB 3.34Å; D907-L910 PolarHBondContact O-N 3.37Å; E908-L910 VanDerWaalsContact C-N 3.31Å; E908-L910 PolarHBondContact O-N 2.91Å; L910-L913 PolarHBondContact O-N 2.83Å; L910-R914 HydrophobicContact CD1-CG 3.98Å; L910-R914 HydrophobicContact CG-CG 4.32Å; L910-R914 WeakPolarHBondContact O-CB 3.22Å; L910-R914 WeakPolarHBondContact O-CG 3.44Å; L910-R914 PolarHBondContact O-N 3.01Å |
| 911 | E | 73.1 | Confident | 70.5 | Confident | 119 Ų | 119 | 95.7 Ų | 95.7 | 56% | 0.556 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -69.7 | -41.8 | 179.5 | -62.8 | -115.5 | 112.7 | 0 | 0 | 112 | D907 E908 L913 R914 Y915 | D907-E911 PolarHBondContact O-N 2.89Å; E908-E911 PolarHBondContact O-N 3.38Å; E911-L913 VanDerWaalsContact C-N 3.35Å; E911-L913 PolarHBondContact O-N 3.21Å; E911-R914 WeakPolarHBondContact O-CB 3.43Å; E911-R914 PolarHBondContact O-N 2.89Å; E911-R914 IonicContact OE1-NH1 2.81Å; E911-Y915 WeakPolarHBondContact O-CB 3.45Å; E911-Y915 PolarHBondContact O-N 2.89Å |
| 912 | D | 79.6 | Confident | 71.8 | Confident | 72 Ų | 72 | 91 Ų | 91 | 39% | 0.385 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 170.1 | 175.7 | 57 | 0 | 0 | 0 | 111.6 | E908 R914 Y915 R916 | E908-D912 PolarHBondContact O-N 3.17Å; D912-R914 PolarHBondContact O-N 3Å; D912-Y915 WeakPolarHBondContact O-CB 3.47Å; D912-Y915 PolarHBondContact O-N 3.2Å; D912-R916 WeakPolarHBondContact O-CB 3.36Å; D912-R916 WeakPolarHBondContact O-CG 3.43Å; D912-R916 PolarHBondContact O-N 3.33Å; D912-R916 WeakPolarHBondContact OD1-CD 3.44Å; D912-R916 WeakPolarHBondContact OD2-CD 3.24Å; D912-R916 IonicContact OD2-CZ 3.18Å; D912-R916 IonicContact OD2-NE 2.79Å; D912-R916 IonicContact OD2-NH1 2.95Å; D912-R916 PolarHBondContact OD2-NH1 2.76Å |
| 913 | L | 82.4 | Confident | 73.5 | Confident | 8 Ų | 8 | 89.8 Ų | 89.8 | 4% | 0.042 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -64.9 | -39.5 | 178.8 | -163.8 | 69.8 | 0 | 0 | 0 | 112.3 | W842 F845 E846 L849 P909 L910 E911 W917 | W842-L913 HydrophobicContact CE3-CD2 3.69Å; W842-L913 HydrophobicContact CZ3-CD2 3.83Å; F845-L913 HydrophobicContact CD1-CD1 3.92Å; F845-L913 HydrophobicContact CD1-CD2 3.88Å; F845-L913 HydrophobicContact CD1-CG 4Å; F845-L913 HydrophobicContact CE1-CD1 4.07Å; F845-L913 HydrophobicContact CE1-CD2 4.28Å; F845-L913 HydrophobicContact CE1-CG 3.99Å; E846-L913 HydrophobicContact CB-CD1 4.34Å; L849-L913 HydrophobicContact CD2-CD1 4.35Å; P909-L913 WeakPolarHBondContact O-CB 3.25Å; P909-L913 PolarHBondContact O-N 3.05Å; L910-L913 PolarHBondContact O-N 2.83Å; E911-L913 VanDerWaalsContact C-N 3.35Å; E911-L913 PolarHBondContact O-N 3.21Å; L913-W917 VanDerWaalsContact O-CB 3.31Å; L913-W917 WeakPolarHBondContact O-CB 3.43Å; L913-W917 PolarHBondContact O-N 2.81Å |
| 914 | R | 82.3 | Confident | 75.2 | Confident | 107 Ų | 107 | 80.1 Ų | 80.1 | 40% | 0.404 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.8 | -46 | 171 | -80.7 | 166.5 | 160.9 | -149 | -8.1 | 111.4 | F893 L910 E911 D912 T918 | F893-R914 HydrophobicContact CE2-CG 4.31Å; F893-R914 HydrophobicContact CZ-CB 4.43Å; F893-R914 HydrophobicContact CZ-CG 3.81Å; L910-R914 HydrophobicContact CD1-CG 3.98Å; L910-R914 HydrophobicContact CG-CG 4.32Å; L910-R914 WeakPolarHBondContact O-CB 3.22Å; L910-R914 WeakPolarHBondContact O-CG 3.44Å; L910-R914 PolarHBondContact O-N 3.01Å; E911-R914 WeakPolarHBondContact O-CB 3.43Å; E911-R914 PolarHBondContact O-N 2.89Å; E911-R914 IonicContact OE1-NH1 2.81Å; D912-R914 PolarHBondContact O-N 3Å; R914-T918 WeakPolarHBondContact O-CB 3.3Å; R914-T918 PolarHBondContact O-N 3.23Å; R914-T918 PolarHBondContact O-OG1 3.19Å |
| 915 | Y | 83.3 | Confident | 77.2 | Confident | 148 Ų | 148 | 76.5 Ų | 76.5 | 58% | 0.58 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -63.7 | -50.4 | 177.8 | 178 | -101.4 | 0 | 0 | 0 | 111.4 | E911 D912 W917 T918 L919 | E911-Y915 WeakPolarHBondContact O-CB 3.45Å; E911-Y915 PolarHBondContact O-N 2.89Å; D912-Y915 WeakPolarHBondContact O-CB 3.47Å; D912-Y915 PolarHBondContact O-N 3.2Å; Y915-W917 PolarHBondContact O-N 3.34Å; Y915-T918 PolarHBondContact O-N 2.95Å; Y915-L919 HydrophobicContact CE1-CD2 4.06Å; Y915-L919 VanDerWaalsContact O-CB 3.31Å; Y915-L919 WeakPolarHBondContact O-CB 3.41Å; Y915-L919 PolarHBondContact O-N 2.89Å |
| 916 | R | 86.6 | Confident | 78.6 | Confident | 71 Ų | 71 | 80.1 Ų | 80.1 | 27% | 0.268 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62 | -39 | 179.3 | -73.3 | 161.3 | 66.6 | -169.6 | -0.8 | 112.9 | E846 L849 D912 Y920 | E846-R916 IonicContact OE1-CZ 3.31Å; E846-R916 IonicContact OE1-NH1 3.18Å; E846-R916 PolarHBondContact OE1-NH1 3.36Å; E846-R916 IonicContact OE1-NH2 2.74Å; E846-R916 PolarHBondContact OE1-NH2 3.26Å; L849-R916 HydrophobicContact CD2-CB 4.04Å; D912-R916 WeakPolarHBondContact O-CB 3.36Å; D912-R916 WeakPolarHBondContact O-CG 3.43Å; D912-R916 PolarHBondContact O-N 3.33Å; D912-R916 WeakPolarHBondContact OD1-CD 3.44Å; D912-R916 WeakPolarHBondContact OD2-CD 3.24Å; D912-R916 IonicContact OD2-CZ 3.18Å; D912-R916 IonicContact OD2-NE 2.79Å; D912-R916 IonicContact OD2-NH1 2.95Å; D912-R916 PolarHBondContact OD2-NH1 2.76Å; R916-Y920 WeakPolarHBondContact O-CB 3.36Å; R916-Y920 PolarHBondContact O-N 2.7Å |
| 917 | W | 90.9 | Very high | 80.1 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66 | -41.1 | 173.7 | 174.4 | -134.7 | 0 | 0 | 0 | 112.5 | F845 W848 L849 L886 Q890 F893 L913 Y915 Y920 K921 | F845-W917 HydrophobicContact CZ-CB 4.36Å; F845-W917 HydrophobicContact CZ-CD2 4.06Å; F845-W917 HydrophobicContact CZ-CE3 4.15Å; F845-W917 HydrophobicContact CZ-CG 4.19Å; W848-W917 HydrophobicContact CH2-CH2 4.22Å; W848-W917 AromaticContact CH2-CZ3 3.88Å; W848-W917 HydrophobicContact CH2-CZ3 3.88Å; W848-W917 HydrophobicContact CZ3-CE3 4.33Å; W848-W917 HydrophobicContact CZ3-CH2 4.31Å; W848-W917 AromaticContact CZ3-CZ3 3.67Å; W848-W917 HydrophobicContact CZ3-CZ3 3.67Å; L849-W917 HydrophobicContact CD1-CE3 3.88Å; L849-W917 HydrophobicContact CD1-CZ3 4.49Å; L849-W917 HydrophobicContact CD2-CB 4.33Å; L886-W917 HydrophobicContact CD1-CH2 3.58Å; L886-W917 HydrophobicContact CD1-CZ3 3.97Å; L886-W917 HydrophobicContact CG-CH2 4.37Å; Q890-W917 HydrophobicContact CB-CZ2 3.88Å; F893-W917 AromaticContact CD1-CD1 3.48Å; F893-W917 VanDerWaalsContact CD1-CD1 3.48Å; F893-W917 AromaticContact CD1-NE1 3.41Å; F893-W917 HydrophobicContact CD2-CB 4.35Å; F893-W917 AromaticContact CD2-CD1 3.6Å; F893-W917 HydrophobicContact CD2-CG 4.07Å; F893-W917 AromaticContact CE1-CD1 3.45Å; F893-W917 VanDerWaalsContact CE1-CD1 3.45Å; F893-W917 AromaticContact CE1-NE1 3.8Å; F893-W917 HydrophobicContact CE2-CB 4.09Å; F893-W917 AromaticContact CE2-CD1 3.58Å; F893-W917 HydrophobicContact CE2-CG 4.11Å; F893-W917 AromaticContact CG-CD1 3.54Å; F893-W917 HydrophobicContact CG-CG 4.31Å; F893-W917 AromaticContact CG-NE1 3.55Å; F893-W917 AromaticContact CZ-CD1 3.5Å; F893-W917 VanDerWaalsContact CZ-CD1 3.5Å; F893-W917 HydrophobicContact CZ-CG 4.37Å; L913-W917 VanDerWaalsContact O-CB 3.31Å; L913-W917 WeakPolarHBondContact O-CB 3.43Å; L913-W917 PolarHBondContact O-N 2.81Å; Y915-W917 PolarHBondContact O-N 3.34Å; W917-Y920 AromaticContact CE3-CD1 3.84Å; W917-Y920 HydrophobicContact CE3-CD1 3.84Å; W917-Y920 AromaticContact CZ3-CD1 3.59Å; W917-Y920 HydrophobicContact CZ3-CD1 3.59Å; W917-Y920 AromaticContact CZ3-CE1 3.99Å; W917-Y920 HydrophobicContact CZ3-CE1 3.99Å; W917-Y920 PolarHBondContact O-N 3.44Å; W917-K921 HydrophobicContact CD2-CD 4.3Å; W917-K921 HydrophobicContact CD2-CG 4.45Å; W917-K921 VanDerWaalsContact CE2-CE 3.4Å; W917-K921 HydrophobicContact CE3-CG 4.35Å; W917-K921 HydrophobicContact CH2-CD 4.15Å; W917-K921 HydrophobicContact CH2-CG 4.29Å; W917-K921 HydrophobicContact CZ2-CD 3.76Å; W917-K921 HydrophobicContact CZ2-CG 4.35Å; W917-K921 HydrophobicContact CZ3-CG 4.28Å; W917-K921 PolarHBondContact O-N 3.12Å; W917-K921 VanDerWaalsContact O-N 3.11Å |
| 918 | T | 87.1 | Confident | 81.3 | Confident | 85 Ų | 85 | 71.5 Ų | 71.5 | 52% | 0.521 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.9 | -40.6 | 177 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | R914 Y915 K921 S922 | R914-T918 WeakPolarHBondContact O-CB 3.3Å; R914-T918 PolarHBondContact O-N 3.23Å; R914-T918 PolarHBondContact O-OG1 3.19Å; Y915-T918 PolarHBondContact O-N 2.95Å; T918-K921 PolarHBondContact O-N 3.07Å; T918-S922 PolarHBondContact O-N 3.43Å |
| 919 | L | 87.6 | Confident | 82.1 | Confident | 58 Ų | 58 | 67.2 Ų | 67.2 | 30% | 0.304 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.9 | -39.7 | 175.3 | -175 | 62.5 | 0 | 0 | 0 | 112.2 | Y915 S922 K923 | Y915-L919 HydrophobicContact CE1-CD2 4.06Å; Y915-L919 VanDerWaalsContact O-CB 3.31Å; Y915-L919 WeakPolarHBondContact O-CB 3.41Å; Y915-L919 PolarHBondContact O-N 2.89Å; L919-S922 PolarHBondContact O-N 2.84Å; L919-K923 HydrophobicContact CD1-CD 4.45Å; L919-K923 HydrophobicContact CG-CD 4.24Å; L919-K923 WeakPolarHBondContact O-CB 3.42Å; L919-K923 WeakPolarHBondContact O-CG 3.39Å; L919-K923 PolarHBondContact O-N 3.43Å |
| 920 | Y | 90.5 | Very high | 82.3 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.8 | -50.7 | 172.7 | 175.1 | -112.3 | 0 | 0 | 0 | 111.4 | L849 E852 L856 L886 R916 W917 S922 K923 L924 | L849-Y920 HydrophobicContact CD1-CD1 4.01Å; L849-Y920 HydrophobicContact CD1-CG 3.89Å; E852-Y920 HydrophobicContact CB-CE1 4.33Å; E852-Y920 HydrophobicContact CB-CE2 3.96Å; E852-Y920 PolarHBondContact OE2-OH 3.39Å; L856-Y920 HydrophobicContact CB-CE2 4.2Å; L856-Y920 HydrophobicContact CD2-CD2 3.74Å; L856-Y920 HydrophobicContact CD2-CE2 3.65Å; L886-Y920 HydrophobicContact CD1-CD1 4.5Å; L886-Y920 HydrophobicContact CD1-CE1 4.07Å; R916-Y920 WeakPolarHBondContact O-CB 3.36Å; R916-Y920 PolarHBondContact O-N 2.7Å; W917-Y920 AromaticContact CE3-CD1 3.84Å; W917-Y920 HydrophobicContact CE3-CD1 3.84Å; W917-Y920 AromaticContact CZ3-CD1 3.59Å; W917-Y920 HydrophobicContact CZ3-CD1 3.59Å; W917-Y920 AromaticContact CZ3-CE1 3.99Å; W917-Y920 HydrophobicContact CZ3-CE1 3.99Å; W917-Y920 PolarHBondContact O-N 3.44Å; Y920-S922 VanDerWaalsContact C-N 3.31Å; Y920-S922 PolarHBondContact O-N 3.13Å; Y920-K923 PolarHBondContact O-N 2.91Å; Y920-L924 HydrophobicContact CE1-CD2 4.4Å; Y920-L924 WeakPolarHBondContact O-CB 3.38Å; Y920-L924 PolarHBondContact O-N 3.28Å |
| 921 | K | 89.3 | Confident | 82 | Confident | 65 Ų | 65 | 67.7 Ų | 67.7 | 28% | 0.283 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.7 | -40 | 177.5 | -78.1 | -173.7 | -70.9 | -173 | 0 | 112.9 | L886 W917 T918 K925 | L886-K921 HydrophobicContact CD1-CD 4.37Å; L886-K921 HydrophobicContact CD1-CG 3.9Å; W917-K921 HydrophobicContact CD2-CD 4.3Å; W917-K921 HydrophobicContact CD2-CG 4.45Å; W917-K921 VanDerWaalsContact CE2-CE 3.4Å; W917-K921 HydrophobicContact CE3-CG 4.35Å; W917-K921 HydrophobicContact CH2-CD 4.15Å; W917-K921 HydrophobicContact CH2-CG 4.29Å; W917-K921 HydrophobicContact CZ2-CD 3.76Å; W917-K921 HydrophobicContact CZ2-CG 4.35Å; W917-K921 HydrophobicContact CZ3-CG 4.28Å; W917-K921 PolarHBondContact O-N 3.12Å; W917-K921 VanDerWaalsContact O-N 3.11Å; T918-K921 PolarHBondContact O-N 3.07Å; K921-K925 PolarHBondContact O-N 2.89Å |
| 922 | S | 84.6 | Confident | 81.4 | Confident | 74 Ų | 74 | 66.4 Ų | 66.4 | 52% | 0.517 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64 | -51.5 | 175.8 | -165.3 | 0 | 0 | 0 | 0 | 111.7 | T918 L919 Y920 L924 K925 E926 | T918-S922 PolarHBondContact O-N 3.43Å; L919-S922 PolarHBondContact O-N 2.84Å; Y920-S922 VanDerWaalsContact C-N 3.31Å; Y920-S922 PolarHBondContact O-N 3.13Å; S922-L924 PolarHBondContact O-N 3.05Å; S922-K925 PolarHBondContact O-N 2.96Å; S922-E926 PolarHBondContact O-N 3.28Å |
| 923 | K | 84.4 | Confident | 80 | Confident | 73 Ų | 73 | 70.7 Ų | 70.7 | 32% | 0.317 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.1 | -39.3 | 178.9 | -73.1 | 174.6 | 177.2 | 175.5 | 0 | 113 | L856 L919 Y920 K925 E926 V927 | L856-K923 HydrophobicContact CD2-CB 3.85Å; L919-K923 HydrophobicContact CD1-CD 4.45Å; L919-K923 HydrophobicContact CG-CD 4.24Å; L919-K923 WeakPolarHBondContact O-CB 3.42Å; L919-K923 WeakPolarHBondContact O-CG 3.39Å; L919-K923 PolarHBondContact O-N 3.43Å; Y920-K923 PolarHBondContact O-N 2.91Å; K923-K925 VanDerWaalsContact C-N 3.32Å; K923-K925 PolarHBondContact O-N 3.37Å; K923-E926 PolarHBondContact O-N 3.44Å; K923-V927 VanDerWaalsContact O-CG2 3.29Å; K923-V927 WeakPolarHBondContact O-CG2 3.37Å; K923-V927 PolarHBondContact O-N 2.9Å |
| 924 | L | 86.7 | Confident | 78.4 | Confident | 6 Ų | 6 | 74 Ų | 74 | 3% | 0.031 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.6 | -45.9 | 177.9 | -173.1 | 68.3 | 0 | 0 | 0 | 110.6 | L856 L879 L882 I883 L886 Y920 S922 V927 E928 | L856-L924 HydrophobicContact CD1-CD1 3.97Å; L856-L924 HydrophobicContact CD2-CB 4.29Å; L856-L924 HydrophobicContact CD2-CD1 4.49Å; L879-L924 HydrophobicContact CD1-CD1 3.57Å; L882-L924 HydrophobicContact CB-CD1 3.8Å; L882-L924 HydrophobicContact CD1-CD1 4.01Å; I883-L924 HydrophobicContact CG1-CD1 4.42Å; I883-L924 HydrophobicContact CG1-CD2 4.09Å; I883-L924 HydrophobicContact CG1-CG 4.25Å; L886-L924 HydrophobicContact CD1-CD2 4.03Å; L886-L924 HydrophobicContact CD2-CD2 4.42Å; Y920-L924 HydrophobicContact CE1-CD2 4.4Å; Y920-L924 WeakPolarHBondContact O-CB 3.38Å; Y920-L924 PolarHBondContact O-N 3.28Å; S922-L924 PolarHBondContact O-N 3.05Å; L924-V927 PolarHBondContact O-N 2.96Å; L924-E928 WeakPolarHBondContact O-CB 3.49Å; L924-E928 PolarHBondContact O-N 3.09Å |
| 925 | K | 84.1 | Confident | 76.3 | Confident | 131 Ų | 131 | 76.8 Ų | 76.8 | 57% | 0.57 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -70.1 | -32.3 | 177.5 | -167.7 | 170.8 | -175 | 173.9 | 0 | 113.1 | K921 S922 K923 N929 | K921-K925 PolarHBondContact O-N 2.89Å; S922-K925 PolarHBondContact O-N 2.96Å; K923-K925 VanDerWaalsContact C-N 3.32Å; K923-K925 PolarHBondContact O-N 3.37Å; K925-N929 PolarHBondContact O-N 3.31Å; K925-N929 PolarHBondContact O-ND2 3.28Å |
| 926 | E | 81.1 | Confident | 74.3 | Confident | 135 Ų | 135 | 75.9 Ų | 75.9 | 63% | 0.631 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -65.3 | -45 | 172.8 | -172.3 | 179.1 | -170.4 | 0 | 0 | 111.5 | S922 K923 N929 S930 | S922-E926 PolarHBondContact O-N 3.28Å; K923-E926 PolarHBondContact O-N 3.44Å; E926-N929 PolarHBondContact O-N 3.03Å; E926-S930 WeakPolarHBondContact O-CB 3.48Å; E926-S930 PolarHBondContact O-N 3.25Å |
| 927 | V | 79.9 | Confident | 72.2 | Confident | 17 Ų | 17 | 75.9 Ų | 75.9 | 10% | 0.103 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -66.8 | -38.4 | 177.1 | 173.7 | 0 | 0 | 0 | 0 | 111.9 | L856 I859 T860 L879 K923 L924 S930 L931 | L856-V927 HydrophobicContact CD1-CB 4.16Å; L856-V927 HydrophobicContact CD1-CG1 4.25Å; L856-V927 HydrophobicContact CD1-CG2 3.99Å; I859-V927 HydrophobicContact CG2-CG1 3.97Å; T860-V927 HydrophobicContact CG2-CG1 4.43Å; T860-V927 HydrophobicContact CG2-CG2 3.3Å; L879-V927 HydrophobicContact CD1-CB 4.4Å; L879-V927 HydrophobicContact CD1-CG1 3.89Å; L879-V927 HydrophobicContact CD2-CG1 4.47Å; K923-V927 VanDerWaalsContact O-CG2 3.29Å; K923-V927 WeakPolarHBondContact O-CG2 3.37Å; K923-V927 PolarHBondContact O-N 2.9Å; L924-V927 PolarHBondContact O-N 2.96Å; V927-S930 WeakPolarHBondContact O-CB 3.26Å; V927-S930 PolarHBondContact O-N 3.32Å; V927-L931 HydrophobicContact CG1-CD1 4Å; V927-L931 PolarHBondContact O-N 3.14Å |
| 928 | E | 80.4 | Confident | 69.5 | Low | 69 Ų | 69 | 83.9 Ų | 83.9 | 32% | 0.322 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -57.8 | -53.6 | 171.6 | -177.4 | 179.5 | -150.3 | 0 | 0 | 111.9 | L879 I883 L924 S930 L931 I932 | L879-E928 HydrophobicContact CD2-CB 4Å; L879-E928 HydrophobicContact CD2-CG 4.46Å; I883-E928 HydrophobicContact CD1-CG 4.32Å; L924-E928 WeakPolarHBondContact O-CB 3.49Å; L924-E928 PolarHBondContact O-N 3.09Å; E928-S930 VanDerWaalsContact C-N 3.28Å; E928-S930 PolarHBondContact O-N 3.16Å; E928-L931 PolarHBondContact O-N 2.91Å; E928-I932 HydrophobicContact CG-CD1 3.9Å; E928-I932 VanDerWaalsContact O-CG1 3.3Å; E928-I932 WeakPolarHBondContact O-CG1 3.46Å; E928-I932 PolarHBondContact O-N 3.42Å |
| 929 | N | 73.9 | Confident | 67 | Low | 80 Ų | 80 | 89.1 Ų | 89.1 | 43% | 0.428 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.2 | -38.9 | 176.9 | -74.6 | -54.1 | 0 | 0 | 0 | 112.4 | K925 E926 I932 M933 | K925-N929 PolarHBondContact O-N 3.31Å; K925-N929 PolarHBondContact O-ND2 3.28Å; E926-N929 PolarHBondContact O-N 3.03Å; N929-I932 PolarHBondContact O-N 2.8Å; N929-M933 WeakPolarHBondContact O-CG 3.34Å; N929-M933 PolarHBondContact O-N 2.97Å; N929-M933 VanDerWaalsContact O-N 3.11Å |
| 930 | S | 68.5 | Low | 64.6 | Low | 79 Ų | 79 | 95 Ų | 95 | 55% | 0.552 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.9 | -43.3 | 176.7 | -169.3 | 0 | 0 | 0 | 0 | 112.5 | E926 V927 E928 M933 | E926-S930 WeakPolarHBondContact O-CB 3.48Å; E926-S930 PolarHBondContact O-N 3.25Å; V927-S930 WeakPolarHBondContact O-CB 3.26Å; V927-S930 PolarHBondContact O-N 3.32Å; E928-S930 VanDerWaalsContact C-N 3.28Å; E928-S930 PolarHBondContact O-N 3.16Å; S930-M933 PolarHBondContact O-N 3.27Å |
| 931 | L | 66.2 | Low | 61.9 | Low | 24 Ų | 24 | 106 Ų | 106 | 13% | 0.126 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -78.9 | -13.7 | 178.4 | -78.3 | 161.9 | 0 | 0 | 0 | 114.5 | L879 V927 E928 T934 | L879-L931 HydrophobicContact CD2-CD1 4.01Å; V927-L931 HydrophobicContact CG1-CD1 4Å; V927-L931 PolarHBondContact O-N 3.14Å; E928-L931 PolarHBondContact O-N 2.91Å; L931-T934 PolarHBondContact O-OG1 2.93Å |
| 932 | I | 59.9 | Low | 59.3 | Low | 93 Ų | 93 | 111.8 Ų | 111.8 | 48% | 0.477 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -79.7 | -39.1 | 169.2 | -71.6 | 166.2 | 0 | 0 | 0 | 110.9 | E928 N929 T934 | E928-I932 HydrophobicContact CG-CD1 3.9Å; E928-I932 VanDerWaalsContact O-CG1 3.3Å; E928-I932 WeakPolarHBondContact O-CG1 3.46Å; E928-I932 PolarHBondContact O-N 3.42Å; N929-I932 PolarHBondContact O-N 2.8Å; I932-T934 PolarHBondContact O-N 3.29Å |
| 933 | M | 49.4 | Very low | 56.9 | Low | 161 Ų | 161 | 116.5 Ų | 116.5 | 79% | 0.793 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69 | -16.4 | 179.7 | -71.3 | -67.4 | 172.3 | 0 | 0 | 113.6 | N929 S930 K935 | N929-M933 WeakPolarHBondContact O-CG 3.34Å; N929-M933 PolarHBondContact O-N 2.97Å; N929-M933 VanDerWaalsContact O-N 3.11Å; S930-M933 PolarHBondContact O-N 3.27Å; M933-K935 VanDerWaalsContact C-N 3.33Å; M933-K935 PolarHBondContact O-N 3.14Å |
| 934 | T | 48.8 | Very low | 54.5 | Low | 77 Ų | 77 | 120.8 Ų | 120.8 | 47% | 0.472 | 61% | 0.606 | S | S | . | * | trans | -90.8 | 52.6 | 173.7 | 54.3 | 0 | 0 | 0 | 0 | 112.9 | L931 I932 | L931-T934 PolarHBondContact O-OG1 2.93Å; I932-T934 PolarHBondContact O-N 3.29Å | ||
| 935 | K | 39.4 | Very low | 52.1 | Low | 166 Ų | 166 | 128.4 Ų | 128.4 | 72% | 0.722 | 64% | 0.641 | S | S | * | * | trans | -88.4 | 124.7 | 162.9 | -81.6 | -172.4 | 175.6 | -176.9 | 0 | 110 | M933 | M933-K935 VanDerWaalsContact C-N 3.33Å; M933-K935 PolarHBondContact O-N 3.14Å | ||
| 936 | P | 41.9 | Very low | 49.8 | Very low | 129 Ų | 129 | 130.1 Ų | 130.1 | 84% | 0.838 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -71.4 | 148.7 | 169.3 | 31.1 | -33.7 | 0 | 0 | 0 | 110.5 | ||
| 937 | G | 41.5 | Very low | 47.7 | Very low | 71 Ų | 71 | 132.2 Ų | 132.2 | 73% | 0.732 | 67% | 0.668 | S | S | * | * | S | Bend | trans | 90.4 | 64.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 938 | L | 34.9 | Very low | 45.6 | Very low | 168 Ų | 168 | 143.2 Ų | 143.2 | 88% | 0.88 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -157.5 | 9.3 | 161.4 | -118.1 | 161.6 | 0 | 0 | 0 | 115.2 | ||
| 939 | K | 33.4 | Very low | 43.2 | Very low | 196 Ų | 196 | 143.6 Ų | 143.6 | 85% | 0.852 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -104.5 | -18.4 | -171.5 | -122.2 | -178.8 | -179.1 | -177.1 | 0 | 116 | ||
| 940 | E | 37.1 | Very low | 41.1 | Very low | 182 Ų | 182 | 144.8 Ų | 144.8 | 85% | 0.85 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -93.8 | -13.3 | -172.8 | -70 | 169.2 | 126.8 | 0 | 0 | 114.2 | K942 | E940-K942 VanDerWaalsContact C-N 3.28Å; E940-K942 PolarHBondContact O-N 3.48Å |
| 941 | R | 33.5 | Very low | 39.3 | Very low | 231 Ų | 231 | 150 Ų | 150 | 87% | 0.872 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | 21.6 | -173.7 | -146.9 | -178.5 | -172.1 | 177.3 | 3.3 | 114.7 | ||
| 942 | K | 34.9 | Very low | 37.5 | Very low | 185 Ų | 185 | 156.2 Ų | 156.2 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134 | 3.2 | -173.8 | -130.9 | 177.7 | -174.6 | 178.8 | 0 | 116.9 | E940 | E940-K942 VanDerWaalsContact C-N 3.28Å; E940-K942 PolarHBondContact O-N 3.48Å |
| 943 | E | 35.6 | Very low | 36.2 | Very low | 174 Ų | 174 | 157.5 Ų | 157.5 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -106.1 | -3 | 176.1 | -68.7 | -172.1 | 134.6 | 0 | 0 | 113.9 | ||
| 944 | L | 33.4 | Very low | 35.2 | Very low | 162 Ų | 162 | 159.7 Ų | 159.7 | 85% | 0.848 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -98.7 | -15.3 | -175.7 | -129.9 | 77 | 0 | 0 | 0 | 115.9 | ||
| 945 | E | 36.6 | Very low | 34.2 | Very low | 166 Ų | 166 | 159.9 Ų | 159.9 | 78% | 0.776 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -95.3 | -7.2 | -173 | -67.8 | -178.8 | 154.8 | 0 | 0 | 114.2 | ||
| 946 | L | 35.6 | Very low | 33.7 | Very low | 167 Ų | 167 | 158.5 Ų | 158.5 | 87% | 0.874 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -93.3 | 9.9 | -173.7 | -131.3 | 83.1 | 0 | 0 | 0 | 115.3 | ||
| 947 | M | 36.9 | Very low | 33 | Very low | 180 Ų | 180 | 157.3 Ų | 157.3 | 89% | 0.887 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -115.6 | 21.7 | -170 | -88.4 | -69.8 | -164.3 | 0 | 0 | 114.8 | ||
| 948 | R | 35.8 | Very low | 32.2 | Very low | 247 Ų | 247 | 159.7 Ų | 159.7 | 93% | 0.932 | 85% | 0.846 | S | S | * | * | trans | -154.8 | 75.6 | 175.5 | -161.2 | 178.3 | -175.5 | -165 | 0.3 | 113.9 | ||||
| 949 | G | 29.9 | Very low | 32.2 | Very low | 77 Ų | 77 | 160.3 Ų | 160.3 | 79% | 0.794 | 84% | 0.844 | S | S | * | * | trans | -161.8 | 103.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 950 | A | 30.7 | Very low | 31.9 | Very low | 106 Ų | 106 | 157.4 Ų | 157.4 | 88% | 0.876 | 84% | 0.843 | S | S | * | * | trans | 49.2 | 119.7 | 158.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 951 | E | 30.6 | Very low | 31.9 | Very low | 189 Ų | 189 | 160.8 Ų | 160.8 | 88% | 0.883 | 85% | 0.848 | S | S | * | * | trans | -77 | 167.2 | 159.3 | -60.2 | 172.1 | 107.8 | 0 | 0 | 112.2 | ||||
| 952 | N | 28.6 | Very low | 31.7 | Very low | 154 Ų | 154 | 156.2 Ų | 156.2 | 82% | 0.824 | 85% | 0.846 | S | S | * | * | trans | 105.8 | 150.4 | 137.3 | -138 | -16.1 | 0 | 0 | 0 | 119.9 | ||||
| 953 | V | 31.5 | Very low | 31.6 | Very low | 119 Ų | 119 | 150.5 Ų | 150.5 | 72% | 0.721 | 84% | 0.839 | S | S | * | * | trans | 72.2 | 78.1 | 173 | -160.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 954 | K | 28.9 | Very low | 31.8 | Very low | 208 Ų | 208 | 152.3 Ų | 152.3 | 90% | 0.904 | 85% | 0.845 | S | S | * | * | trans | 37.9 | 114.2 | 131.5 | -72.1 | 176.5 | 173.2 | 175.9 | 0 | 120.5 | ||||
| 955 | G | 27.4 | Very low | 31.8 | Very low | 80 Ų | 80 | 154.5 Ų | 154.5 | 83% | 0.825 | 85% | 0.847 | S | S | * | * | trans | -137.8 | 149 | 146.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 956 | T | 28.6 | Very low | 31.9 | Very low | 138 Ų | 138 | 152.8 Ų | 152.8 | 85% | 0.847 | 85% | 0.852 | S | S | * | * | trans | -106.2 | 143.1 | -169 | 49.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 957 | A | 26.7 | Very low | 32.8 | Very low | 103 Ų | 103 | 146.7 Ų | 146.7 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | trans | 40.5 | 127.2 | 158.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 958 | S | 26.3 | Very low | 33.8 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | -158.1 | 177.3 | 59.1 | -166 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 959 | E | 34.8 | Very low | 34.7 | Very low | 181 Ų | 181 | 139.2 Ų | 139.2 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | -70.8 | 145.7 | -177 | -58.9 | -176.2 | 103.6 | 0 | 0 | 114.1 | ||||
| 960 | T | 27.1 | Very low | 35.9 | Very low | 136 Ų | 136 | 143.5 Ų | 143.5 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | trans | -164 | 123.3 | 134.8 | 5.5 | 0 | 0 | 0 | 0 | 111.7 | T962 | T960-T962 PolarHBondContact O-N 3.26Š| ||
| 961 | R | 36.6 | Very low | 37.2 | Very low | 253 Ų | 253 | 147.3 Ų | 147.3 | 96% | 0.955 | 80% | 0.795 | S | S | * | * | trans | -69.5 | 124.2 | 169.5 | -80.6 | 173.7 | 161 | 169.9 | -6 | 110.2 | ||||
| 962 | T | 29.4 | Very low | 39.1 | Very low | 135 Ų | 135 | 142.7 Ų | 142.7 | 83% | 0.828 | 78% | 0.775 | S | S | * | * | trans | -115.4 | 103.7 | 167 | 47.5 | 0 | 0 | 0 | 0 | 111.4 | T960 | T960-T962 PolarHBondContact O-N 3.26Š| ||
| 963 | G | 33.3 | Very low | 40.8 | Very low | 64 Ų | 64 | 139.3 Ų | 139.3 | 66% | 0.66 | 76% | 0.763 | S | S | * | * | trans | -69.4 | 144 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | K965 | G963-K965 PolarHBondContact O-N 2.94Å; G963-K965 VanDerWaalsContact O-N 3.11Å | ||
| 964 | K | 40 | Very low | 42.6 | Very low | 213 Ų | 213 | 141.7 Ų | 141.7 | 93% | 0.926 | 76% | 0.759 | S | S | * | * | trans | -57.3 | 114 | 179.3 | -69.3 | 176.1 | 177.6 | 175.5 | 0 | 110.5 | ||||
| 965 | K | 32.9 | Very low | 44.5 | Very low | 208 Ų | 208 | 137.1 Ų | 137.1 | 90% | 0.904 | 74% | 0.744 | S | S | * | * | trans | -81.9 | 118.9 | 179.5 | -69.7 | -177.9 | 180 | 176.6 | 0 | 111.1 | G963 | G963-K965 PolarHBondContact O-N 2.94Å; G963-K965 VanDerWaalsContact O-N 3.11Å | ||
| 966 | C | 38.2 | Very low | 46.9 | Very low | 130 Ų | 130 | 135.3 Ų | 135.3 | 88% | 0.878 | 72% | 0.721 | S | S | * | * | trans | -113.4 | 148.9 | 156.5 | -67.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 967 | G | 53.9 | Low | 49.1 | Very low | 38 Ų | 38 | 134.1 Ų | 134.1 | 39% | 0.392 | 71% | 0.709 | S | S | . | * | trans | 90.5 | 33 | 161 | 0 | 0 | 0 | 0 | 0 | 118.6 | R971 | G967-R971 WeakPolarHBondContact O-CG 3.48Š| ||
| 968 | L | 58.3 | Low | 51.4 | Low | 136 Ų | 136 | 134.1 Ų | 134.1 | 71% | 0.712 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -68.8 | -53.1 | 164.8 | -157.8 | 83.1 | 0 | 0 | 0 | 110.8 | Y970 R971 I972 | L968-Y970 VanDerWaalsContact C-N 3.33Å; L968-Y970 PolarHBondContact O-N 2.98Å; L968-R971 WeakPolarHBondContact O-CB 3.47Å; L968-R971 PolarHBondContact O-N 3.49Å; L968-R971 VanDerWaalsContact O-N 3.08Å; L968-I972 HydrophobicContact CD2-CD1 4.1Å; L968-I972 HydrophobicContact CG-CD1 4.07Å; L968-I972 WeakPolarHBondContact O-CG1 3.35Å; L968-I972 PolarHBondContact O-N 3.34Å; L968-I972 VanDerWaalsContact O-N 3.07Å |
| 969 | L | 55.3 | Low | 53.9 | Low | 134 Ų | 134 | 133.8 Ų | 133.8 | 70% | 0.702 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -56.8 | -42.1 | 179.6 | -69.4 | 170.1 | 0 | 0 | 0 | 112.9 | R971 I972 C973 | L969-R971 VanDerWaalsContact C-N 3.28Å; L969-R971 PolarHBondContact O-N 2.9Å; L969-I972 PolarHBondContact O-N 2.95Å; L969-I972 VanDerWaalsContact O-N 3.14Å; L969-C973 PolarHBondContact O-N 2.69Å; L969-C973 PolarHBondContact O-SG 3.49Å |
| 970 | Y | 54.8 | Low | 56.1 | Low | 168 Ų | 168 | 135 Ų | 135 | 66% | 0.659 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -61.6 | -34.2 | 178 | -177.4 | -103.4 | 0 | 0 | 0 | 113 | L968 R974 | L968-Y970 VanDerWaalsContact C-N 3.33Å; L968-Y970 PolarHBondContact O-N 2.98Å; Y970-R974 WeakPolarHBondContact O-CB 3.45Å; Y970-R974 PolarHBondContact O-N 3.48Å |
| 971 | R | 59.2 | Low | 58.6 | Low | 186 Ų | 186 | 133.1 Ų | 133.1 | 70% | 0.702 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -72 | -41.8 | 173.6 | -67.8 | 175.8 | -178.9 | -160.7 | -1 | 111.4 | G967 L968 L969 R974 L975 | G967-R971 WeakPolarHBondContact O-CG 3.48Å; L968-R971 WeakPolarHBondContact O-CB 3.47Å; L968-R971 PolarHBondContact O-N 3.49Å; L968-R971 VanDerWaalsContact O-N 3.08Å; L969-R971 VanDerWaalsContact C-N 3.28Å; L969-R971 PolarHBondContact O-N 2.9Å; R971-R974 PolarHBondContact O-N 2.95Å; R971-L975 PolarHBondContact O-N 3.39Å |
| 972 | I | 69.8 | Low | 60.7 | Low | 91 Ų | 91 | 126 Ų | 126 | 47% | 0.467 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -62 | -48.6 | 177.3 | -65.4 | 165.3 | 0 | 0 | 0 | 110.8 | L968 L969 R974 L975 A976 | L968-I972 HydrophobicContact CD2-CD1 4.1Å; L968-I972 HydrophobicContact CG-CD1 4.07Å; L968-I972 WeakPolarHBondContact O-CG1 3.35Å; L968-I972 PolarHBondContact O-N 3.34Å; L968-I972 VanDerWaalsContact O-N 3.07Å; L969-I972 PolarHBondContact O-N 2.95Å; L969-I972 VanDerWaalsContact O-N 3.14Å; I972-R974 VanDerWaalsContact C-N 3.3Å; I972-R974 PolarHBondContact O-N 3.3Å; I972-L975 PolarHBondContact O-N 2.89Å; I972-A976 WeakPolarHBondContact O-CB 3.33Å; I972-A976 PolarHBondContact O-N 3.22Å |
| 973 | C | 64.4 | Low | 63.3 | Low | 83 Ų | 83 | 126 Ų | 126 | 56% | 0.561 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -61.2 | -37 | 177.2 | -64.1 | 0 | 0 | 0 | 0 | 112.6 | L969 L977 | L969-C973 PolarHBondContact O-N 2.69Å; L969-C973 PolarHBondContact O-SG 3.49Å; C973-L977 WeakPolarHBondContact O-CB 3.47Å; C973-L977 PolarHBondContact O-N 3.12Å |
| 974 | R | 68.4 | Low | 65.6 | Low | 169 Ų | 169 | 127.9 Ų | 127.9 | 64% | 0.638 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -71.4 | -33.9 | 177.7 | -170 | 171.9 | 177.5 | 179.7 | -2.6 | 112.8 | Y970 R971 I972 L978 | Y970-R974 WeakPolarHBondContact O-CB 3.45Å; Y970-R974 PolarHBondContact O-N 3.48Å; R971-R974 PolarHBondContact O-N 2.95Å; I972-R974 VanDerWaalsContact C-N 3.3Å; I972-R974 PolarHBondContact O-N 3.3Å; R974-L978 WeakPolarHBondContact O-CG 3.38Å; R974-L978 PolarHBondContact O-N 3.23Å |
| 975 | L | 70 | Confident | 67.3 | Low | 112 Ų | 112 | 120.4 Ų | 120.4 | 59% | 0.586 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -71.2 | -43.6 | 171.5 | -77.8 | 163.7 | 0 | 0 | 0 | 111.8 | R971 I972 L977 L978 L979 | R971-L975 PolarHBondContact O-N 3.39Å; I972-L975 PolarHBondContact O-N 2.89Å; L975-L977 VanDerWaalsContact C-N 3.3Å; L975-L977 PolarHBondContact O-N 3.45Å; L975-L978 PolarHBondContact O-N 3.5Å; L975-L979 PolarHBondContact O-N 3.43Å |
| 976 | A | 76.2 | Confident | 69.5 | Low | 42 Ų | 42 | 115 Ų | 115 | 35% | 0.347 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -59.9 | -39.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I972 L979 W980 | I972-A976 WeakPolarHBondContact O-CB 3.33Å; I972-A976 PolarHBondContact O-N 3.22Å; A976-L979 PolarHBondContact O-N 2.9Å; A976-W980 PolarHBondContact O-N 3.41Å |
| 977 | L | 75.3 | Confident | 71.5 | Confident | 113 Ų | 113 | 112.3 Ų | 112.3 | 59% | 0.592 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69.8 | -33.1 | 177.2 | -167.5 | 137.5 | 0 | 0 | 0 | 112.7 | C973 L975 L981 | C973-L977 WeakPolarHBondContact O-CB 3.47Å; C973-L977 PolarHBondContact O-N 3.12Å; L975-L977 VanDerWaalsContact C-N 3.3Å; L975-L977 PolarHBondContact O-N 3.45Å; L977-L981 HydrophobicContact CD2-CD1 3.83Å; L977-L981 WeakPolarHBondContact O-CG 3.46Å; L977-L981 PolarHBondContact O-N 2.98Å |
| 978 | L | 74.8 | Confident | 72.5 | Confident | 104 Ų | 104 | 115.4 Ų | 115.4 | 55% | 0.545 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -69.4 | -39.6 | 171.1 | -73.9 | 166.8 | 0 | 0 | 0 | 111.9 | R974 L975 L981 L982 | R974-L978 WeakPolarHBondContact O-CG 3.38Å; R974-L978 PolarHBondContact O-N 3.23Å; L975-L978 PolarHBondContact O-N 3.5Å; L978-L981 PolarHBondContact O-N 3.45Å; L978-L982 WeakPolarHBondContact O-CB 3.46Å; L978-L982 PolarHBondContact O-N 3.19Å |
| 979 | L | 79.1 | Confident | 73 | Confident | 113 Ų | 113 | 114 Ų | 114 | 59% | 0.592 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.5 | -39.7 | 172.8 | -89.5 | 158.4 | 0 | 0 | 0 | 112.4 | L975 A976 L982 F983 | L975-L979 PolarHBondContact O-N 3.43Å; A976-L979 PolarHBondContact O-N 2.9Å; L979-L982 PolarHBondContact O-N 3.31Å; L979-F983 WeakPolarHBondContact O-CB 3.33Å; L979-F983 PolarHBondContact O-N 2.91Å |
| 980 | W | 81.4 | Confident | 73.7 | Confident | 208 Ų | 208 | 110.5 Ų | 110.5 | 79% | 0.788 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.7 | -39.8 | 174 | -93.1 | 66.9 | 0 | 0 | 0 | 112.6 | A976 F983 L984 | A976-W980 PolarHBondContact O-N 3.41Å; W980-F983 PolarHBondContact O-N 3.45Å; W980-L984 WeakPolarHBondContact O-CB 3.48Å; W980-L984 PolarHBondContact O-N 3.22Å |
| 981 | L | 79.1 | Confident | 74 | Confident | 96 Ų | 96 | 110.7 Ų | 110.7 | 50% | 0.503 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.7 | -37.1 | 174.1 | -72.5 | 169.6 | 0 | 0 | 0 | 112.2 | L977 L978 L984 A985 | L977-L981 HydrophobicContact CD2-CD1 3.83Å; L977-L981 WeakPolarHBondContact O-CG 3.46Å; L977-L981 PolarHBondContact O-N 2.98Å; L978-L981 PolarHBondContact O-N 3.45Å; L981-L984 PolarHBondContact O-N 3.05Å; L981-A985 WeakPolarHBondContact O-CB 3.46Å; L981-A985 PolarHBondContact O-N 2.64Å |
| 982 | L | 80.3 | Confident | 73.7 | Confident | 102 Ų | 102 | 108.1 Ų | 108.1 | 53% | 0.534 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.9 | -45.9 | 172.2 | -173.1 | 76.7 | 0 | 0 | 0 | 111.2 | L978 L979 A985 L986 | L978-L982 WeakPolarHBondContact O-CB 3.46Å; L978-L982 PolarHBondContact O-N 3.19Å; L979-L982 PolarHBondContact O-N 3.31Å; L982-A985 PolarHBondContact O-N 3.46Å; L982-L986 HydrophobicContact CG-CD1 4.24Å; L982-L986 WeakPolarHBondContact O-CG 3.32Å; L982-L986 PolarHBondContact O-N 2.94Å |
| 983 | F | 84.6 | Confident | 72.8 | Confident | 135 Ų | 135 | 109.7 Ų | 109.7 | 59% | 0.592 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.3 | -39.1 | 178.5 | -166 | -98.2 | 0 | 0 | 0 | 112 | L979 W980 L986 L987 | L979-F983 WeakPolarHBondContact O-CB 3.33Å; L979-F983 PolarHBondContact O-N 2.91Å; W980-F983 PolarHBondContact O-N 3.45Å; F983-L986 PolarHBondContact O-N 3.24Å; F983-L987 HydrophobicContact CD1-CD1 3.91Å; F983-L987 HydrophobicContact CE1-CD1 3.68Å; F983-L987 HydrophobicContact CE1-CG 4.43Å; F983-L987 WeakPolarHBondContact O-CB 3.43Å; F983-L987 PolarHBondContact O-N 3.23Å |
| 984 | L | 82.2 | Confident | 72 | Confident | 105 Ų | 105 | 110.8 Ų | 110.8 | 55% | 0.55 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.4 | -38.3 | 173.5 | -167.1 | 72.8 | 0 | 0 | 0 | 111.9 | W980 L981 L987 L988 | W980-L984 WeakPolarHBondContact O-CB 3.48Å; W980-L984 PolarHBondContact O-N 3.22Å; L981-L984 PolarHBondContact O-N 3.05Å; L984-L987 PolarHBondContact O-N 2.96Å; L984-L988 WeakPolarHBondContact O-CB 3.48Å; L984-L988 PolarHBondContact O-N 3.49Å |
| 985 | A | 75.6 | Confident | 70.9 | Confident | 56 Ų | 56 | 111 Ų | 111 | 46% | 0.463 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -68 | -38.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L981 L982 L988 L989 | L981-A985 WeakPolarHBondContact O-CB 3.46Å; L981-A985 PolarHBondContact O-N 2.64Å; L982-A985 PolarHBondContact O-N 3.46Å; A985-L988 PolarHBondContact O-N 3.36Å; A985-L989 WeakPolarHBondContact O-CB 3.19Å; A985-L989 PolarHBondContact O-N 2.95Å |
| 986 | L | 77.9 | Confident | 69.7 | Low | 95 Ų | 95 | 114.1 Ų | 114.1 | 50% | 0.497 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.8 | -37.5 | 173.4 | -72.6 | 167.7 | 0 | 0 | 0 | 112.1 | L982 F983 L989 A990 | L982-L986 HydrophobicContact CG-CD1 4.24Å; L982-L986 WeakPolarHBondContact O-CG 3.32Å; L982-L986 PolarHBondContact O-N 2.94Å; F983-L986 PolarHBondContact O-N 3.24Å; L986-L989 WeakPolarHBondContact O-CB 3.21Å; L986-L989 PolarHBondContact O-N 3.16Å; L986-A990 WeakPolarHBondContact O-CB 3.46Å; L986-A990 PolarHBondContact O-N 3.37Å |
| 987 | L | 80.4 | Confident | 67.9 | Low | 73 Ų | 73 | 119.3 Ų | 119.3 | 38% | 0.382 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -62.2 | -44.8 | 169.7 | -97.6 | 163.3 | 0 | 0 | 0 | 111.7 | F983 L984 L989 A990 F991 | F983-L987 HydrophobicContact CD1-CD1 3.91Å; F983-L987 HydrophobicContact CE1-CD1 3.68Å; F983-L987 HydrophobicContact CE1-CG 4.43Å; F983-L987 WeakPolarHBondContact O-CB 3.43Å; F983-L987 PolarHBondContact O-N 3.23Å; L984-L987 PolarHBondContact O-N 2.96Å; L987-L989 VanDerWaalsContact C-N 3.3Å; L987-L989 PolarHBondContact O-N 2.76Å; L987-A990 PolarHBondContact O-N 3.41Å; L987-F991 HydrophobicContact CD2-CD2 4.49Å; L987-F991 HydrophobicContact CD2-CE2 4.15Å; L987-F991 WeakPolarHBondContact O-CD2 3.33Å; L987-F991 PolarHBondContact O-N 2.98Å |
| 988 | L | 74.7 | Confident | 66.5 | Low | 103 Ų | 103 | 121.8 Ų | 121.8 | 54% | 0.539 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -61.3 | -38.7 | 173.7 | -104.6 | 161.8 | 0 | 0 | 0 | 112.1 | L984 A985 F991 L992 | L984-L988 WeakPolarHBondContact O-CB 3.48Å; L984-L988 PolarHBondContact O-N 3.49Å; A985-L988 PolarHBondContact O-N 3.36Å; L988-F991 PolarHBondContact O-N 3.13Å; L988-L992 WeakPolarHBondContact O-CB 3.42Å; L988-L992 VanDerWaalsContact O-CG 3.24Å; L988-L992 WeakPolarHBondContact O-CG 3.34Å; L988-L992 PolarHBondContact O-N 3.41Å |
| 989 | L | 68.9 | Low | 65.3 | Low | 105 Ų | 105 | 120 Ų | 120 | 55% | 0.55 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -65.1 | -41.2 | 174.8 | -162.7 | 74.1 | 0 | 0 | 0 | 111.5 | A985 L986 L987 F991 L992 L993 | A985-L989 WeakPolarHBondContact O-CB 3.19Å; A985-L989 PolarHBondContact O-N 2.95Å; L986-L989 WeakPolarHBondContact O-CB 3.21Å; L986-L989 PolarHBondContact O-N 3.16Å; L987-L989 VanDerWaalsContact C-N 3.3Å; L987-L989 PolarHBondContact O-N 2.76Å; L989-F991 VanDerWaalsContact C-N 3.34Å; L989-F991 PolarHBondContact O-N 3.13Å; L989-L992 CarbonylContact O-C 3.59Å; L989-L992 PolarHBondContact O-N 3.38Å; L989-L992 VanDerWaalsContact O-N 3.16Å; L989-L993 PolarHBondContact O-N 3.02Å |
| 990 | A | 69.8 | Low | 63.3 | Low | 61 Ų | 61 | 122.6 Ų | 122.6 | 50% | 0.504 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -65.9 | -32.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L986 L987 | L986-A990 WeakPolarHBondContact O-CB 3.46Å; L986-A990 PolarHBondContact O-N 3.37Å; L987-A990 PolarHBondContact O-N 3.41Å |
| 991 | F | 61.2 | Low | 61.1 | Low | 173 Ų | 173 | 116.7 Ų | 116.7 | 76% | 0.759 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -79.5 | -15 | 171.7 | -84.6 | -69.8 | 0 | 0 | 0 | 114.2 | L987 L988 L989 | L987-F991 HydrophobicContact CD2-CD2 4.49Å; L987-F991 HydrophobicContact CD2-CE2 4.15Å; L987-F991 WeakPolarHBondContact O-CD2 3.33Å; L987-F991 PolarHBondContact O-N 2.98Å; L988-F991 PolarHBondContact O-N 3.13Å; L989-F991 VanDerWaalsContact C-N 3.34Å; L989-F991 PolarHBondContact O-N 3.13Å |
| 992 | L | 54.6 | Low | 59.1 | Low | 132 Ų | 132 | 118.6 Ų | 118.6 | 69% | 0.691 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -95.5 | -10.4 | 174.2 | -72.5 | 168.5 | 0 | 0 | 0 | 113.1 | L988 L989 P994 | L988-L992 WeakPolarHBondContact O-CB 3.42Å; L988-L992 VanDerWaalsContact O-CG 3.24Å; L988-L992 WeakPolarHBondContact O-CG 3.34Å; L988-L992 PolarHBondContact O-N 3.41Å; L989-L992 CarbonylContact O-C 3.59Å; L989-L992 PolarHBondContact O-N 3.38Å; L989-L992 VanDerWaalsContact O-N 3.16Å; L992-P994 WeakPolarHBondContact O-CD 3.38Å |
| 993 | L | 50.8 | Low | 57.3 | Low | 124 Ų | 124 | 117.8 Ų | 117.8 | 65% | 0.649 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -76.1 | 113.4 | 164.1 | -81.5 | 161.2 | 0 | 0 | 0 | 108.8 | L989 | L989-L993 PolarHBondContact O-N 3.02Š|
| 994 | P | 47.3 | Very low | 55.3 | Low | 106 Ų | 106 | 119.6 Ų | 119.6 | 69% | 0.688 | 68% | 0.682 | S | S | * | * | trans | -65.6 | 141 | 171.8 | 29 | -33.8 | 0 | 0 | 0 | 109.6 | L992 M996 | L992-P994 WeakPolarHBondContact O-CD 3.38Å; P994-M996 PolarHBondContact O-N 2.88Å | ||
| 995 | L | 44.4 | Very low | 53.1 | Low | 172 Ų | 172 | 119.8 Ų | 119.8 | 90% | 0.901 | 69% | 0.692 | S | S | * | * | trans | -50 | 109.8 | -179.1 | -69.4 | 160.7 | 0 | 0 | 0 | 111.6 | ||||
| 996 | M | 45.1 | Very low | 51.2 | Low | 179 Ų | 179 | 122.5 Ų | 122.5 | 88% | 0.882 | 70% | 0.699 | S | S | * | * | trans | -107.5 | 83 | 162 | -66.8 | -150.7 | -46.9 | 0 | 0 | 109.1 | P994 | P994-M996 PolarHBondContact O-N 2.88Š| ||
| 997 | D | 38.7 | Very low | 49.5 | Very low | 150 Ų | 150 | 125.6 Ų | 125.6 | 80% | 0.802 | 72% | 0.716 | S | S | * | * | trans | -114.3 | 123.5 | 153.4 | -90.7 | -37.3 | 0 | 0 | 0 | 107.7 | ||||
| 998 | D | 45.5 | Very low | 47.5 | Very low | 166 Ų | 166 | 130.4 Ų | 130.4 | 89% | 0.888 | 73% | 0.734 | S | S | * | * | S | Bend | trans | 25.6 | 112.9 | 167.9 | -68.1 | -21.9 | 0 | 0 | 0 | 121.2 | ||
| 999 | G | 49.8 | Very low | 45.8 | Very low | 66 Ų | 66 | 129.4 Ų | 129.4 | 68% | 0.68 | 74% | 0.741 | S | S | * | * | trans | 111.6 | 85.2 | 137.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1000 | N | 36.4 | Very low | 44.4 | Very low | 167 Ų | 167 | 135.7 Ų | 135.7 | 89% | 0.893 | 76% | 0.757 | S | S | * | * | 178.9 | 148.7 | 120.5 | -96.9 | -58.8 | 0 | 0 | 0 | 113.7 | |||||
| 1001 | S | 36.7 | Very low | 43.2 | Very low | 84 Ų | 84 | 136.5 Ų | 136.5 | 59% | 0.587 | 76% | 0.76 | S | S | * | * | trans | 55.8 | 87.4 | 151.3 | 174.8 | 0 | 0 | 0 | 0 | 119 | S1003 | S1001-S1003 PolarHBondContact O-N 3.2Å; S1001-S1003 WeakPolarHBondContact OG-CB 3.48Å; S1001-S1003 PolarHBondContact OG-OG 2.71Å | ||
| 1002 | C | 37.1 | Very low | 42.3 | Very low | 137 Ų | 137 | 137.4 Ų | 137.4 | 93% | 0.926 | 76% | 0.763 | S | S | * | * | trans | -69.7 | 91.6 | 153 | -77.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1003 | S | 41.5 | Very low | 41.6 | Very low | 85 Ų | 85 | 138.2 Ų | 138.2 | 59% | 0.594 | 77% | 0.769 | S | S | * | * | trans | -139.7 | 1.5 | 178.1 | 63.2 | 0 | 0 | 0 | 0 | 115.4 | S1001 | S1001-S1003 PolarHBondContact O-N 3.2Å; S1001-S1003 WeakPolarHBondContact OG-CB 3.48Å; S1001-S1003 PolarHBondContact OG-OG 2.71Å | ||
| 1004 | L | 42.2 | Very low | 41.1 | Very low | 173 Ų | 173 | 140.2 Ų | 140.2 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -127.2 | 16.7 | -167.7 | -95.7 | 165.1 | 0 | 0 | 0 | 116 | ||
| 1005 | S | 37.5 | Very low | 40.5 | Very low | 108 Ų | 108 | 143 Ų | 143 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | -119.4 | -3 | 176.2 | 53.4 | 0 | 0 | 0 | 0 | 115 | N1007 | S1005-N1007 PolarHBondContact O-N 3.4Š| ||
| 1006 | N | 34.8 | Very low | 40.6 | Very low | 114 Ų | 114 | 143.1 Ų | 143.1 | 61% | 0.61 | 79% | 0.785 | S | S | * | * | trans | -84.8 | 91.1 | 178.3 | -173 | -14 | 0 | 0 | 0 | 111.9 | F1008 | N1006-F1008 VanDerWaalsContact C-N 3.29Å; N1006-F1008 PolarHBondContact O-N 3.23Å; N1006-F1008 PolarHBondContact OD1-N 3.25Å | ||
| 1007 | N | 41.9 | Very low | 40.2 | Very low | 159 Ų | 159 | 145 Ų | 145 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | 1.3 | 178.5 | -111.9 | -34.5 | 0 | 0 | 0 | 114.9 | S1005 | S1005-N1007 PolarHBondContact O-N 3.4Š|
| 1008 | F | 39.5 | Very low | 40.9 | Very low | 175 Ų | 175 | 147 Ų | 147 | 77% | 0.768 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -17 | 174.8 | -90.4 | -90.8 | 0 | 0 | 0 | 113.5 | N1006 R1010 S1011 | N1006-F1008 VanDerWaalsContact C-N 3.29Å; N1006-F1008 PolarHBondContact O-N 3.23Å; N1006-F1008 PolarHBondContact OD1-N 3.25Å; F1008-R1010 PolarHBondContact O-N 2.84Å; F1008-S1011 PolarHBondContact O-OG 3.47Å |
| 1009 | A | 38.3 | Very low | 40.7 | Very low | 82 Ų | 82 | 146.3 Ų | 146.3 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 24.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 1010 | R | 39.4 | Very low | 41.4 | Very low | 236 Ų | 236 | 144.7 Ų | 144.7 | 89% | 0.891 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134 | -0.4 | -178.5 | -83 | -170.7 | 171.5 | -178.3 | -1.2 | 116.4 | F1008 | F1008-R1010 PolarHBondContact O-N 2.84Š|
| 1011 | S | 44.5 | Very low | 42.1 | Very low | 79 Ų | 79 | 142.2 Ų | 142.2 | 55% | 0.552 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -89.4 | -17.8 | -175.9 | 47.3 | 0 | 0 | 0 | 0 | 115.6 | F1008 | F1008-S1011 PolarHBondContact O-OG 3.47Š|
| 1012 | F | 42.5 | Very low | 42.1 | Very low | 191 Ų | 191 | 143.8 Ų | 143.8 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | trans | -118.3 | 93.1 | -176.7 | -70.7 | -73.9 | 0 | 0 | 0 | 112.9 | ||||
| 1013 | N | 40.5 | Very low | 42.2 | Very low | 150 Ų | 150 | 143.1 Ų | 143.1 | 80% | 0.802 | 76% | 0.755 | S | S | * | * | trans | -115.1 | 68.1 | 173.8 | -137.9 | -18.6 | 0 | 0 | 0 | 110.3 | ||||
| 1014 | L | 40.3 | Very low | 42.2 | Very low | 165 Ų | 165 | 149.1 Ų | 149.1 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -145.1 | 56.9 | 179.2 | -115.5 | 170.3 | 0 | 0 | 0 | 110.8 | L1016 | L1014-L1016 PolarHBondContact O-N 3.23Š| ||
| 1015 | M | 34.7 | Very low | 42.2 | Very low | 166 Ų | 166 | 147.9 Ų | 147.9 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -75.1 | 109.7 | 172.4 | -87 | -176.3 | -85.3 | 0 | 0 | 111 | R1017 | M1015-R1017 PolarHBondContact O-N 2.67Š| ||
| 1016 | L | 45.4 | Very low | 42.5 | Very low | 174 Ų | 174 | 150 Ų | 150 | 91% | 0.911 | 78% | 0.784 | S | S | * | * | trans | -60.6 | 123.9 | 153.2 | -85.5 | 156.5 | 0 | 0 | 0 | 108.5 | L1014 | L1014-L1016 PolarHBondContact O-N 3.23Š| ||
| 1017 | R | 38 | Very low | 42.9 | Very low | 217 Ų | 217 | 152 Ų | 152 | 82% | 0.819 | 79% | 0.793 | S | S | * | * | trans | -83.8 | 135.3 | 170.7 | -71.4 | -172.8 | 178.2 | -173.7 | -0.6 | 110 | M1015 | M1015-R1017 PolarHBondContact O-N 2.67Š| ||
| 1018 | Y | 52.3 | Low | 43 | Very low | 194 Ų | 194 | 151.6 Ų | 151.6 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | trans | -115.2 | 100.1 | 167.4 | 179.5 | -95.9 | 0 | 0 | 0 | 108.1 | G1020 | Y1018-G1020 PolarHBondContact O-N 3.15Š| ||
| 1019 | D | 42.6 | Very low | 43.2 | Very low | 151 Ų | 151 | 150.1 Ų | 150.1 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | trans | -87.9 | 76.9 | 178 | -73.3 | -53.7 | 0 | 0 | 0 | 109.9 | ||||
| 1020 | G | 62.9 | Low | 43.5 | Very low | 32 Ų | 32 | 154.7 Ų | 154.7 | 33% | 0.33 | 80% | 0.799 | S | S | . | * | S | Bend | trans | -152.6 | 152.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | Y1018 | Y1018-G1020 PolarHBondContact O-N 3.15Š|
| 1021 | P | 50.8 | Low | 43.8 | Very low | 115 Ų | 115 | 148.9 Ų | 148.9 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 150.3 | 176.3 | 29.2 | -34.7 | 0 | 0 | 0 | 111.1 | ||
| 1022 | P | 37.1 | Very low | 43.8 | Very low | 117 Ų | 117 | 154.2 Ų | 154.2 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 144.4 | -177.4 | 28.5 | -35.2 | 0 | 0 | 0 | 111.7 | ||
| 1023 | P | 40.3 | Very low | 43.9 | Very low | 122 Ų | 122 | 151.2 Ų | 151.2 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 150.8 | 170.7 | 30.9 | -34.6 | 0 | 0 | 0 | 111.3 | ||
| 1024 | T | 41.5 | Very low | 44.2 | Very low | 211 Ų | 211 | 151.3 Ų | 151.3 | 100% | 1.294 | 81% | 0.809 | S | S | * | * | trans | -88.4 | 0 | 171.2 | 53.5 | 0 | 0 | 0 | 0 | 111.7 |
Retrieved 1,024 of 1,024 residues in 1277.9 ms
(Link to these results)