| 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 | 31.4 | Very low | 32.1 | Very low | 242 Ų | 242 | 154.3 Ų | 154.3 | 100% | 1.192 | 86% | 0.855 | S | S | * | * | 0 | 125 | 0 | -85.9 | -173.6 | 168.2 | 0 | 0 | 109 | |||||
| 2 | S | 30.5 | Very low | 32.3 | Very low | 124 Ų | 124 | 153.2 Ų | 153.2 | 87% | 0.867 | 85% | 0.845 | S | S | * | * | trans | 36.4 | 113.3 | 158.6 | -59.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 3 | S | 32 | Very low | 32.8 | Very low | 118 Ų | 118 | 155.7 Ų | 155.7 | 83% | 0.825 | 84% | 0.843 | S | S | * | * | trans | -135.9 | 114.1 | 149.6 | -33.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 4 | N | 32.3 | Very low | 33.4 | Very low | 152 Ų | 152 | 159.1 Ų | 159.1 | 81% | 0.813 | 85% | 0.85 | S | S | * | * | trans | -150.3 | 111.2 | 169.3 | -107.4 | -12.7 | 0 | 0 | 0 | 107.7 | ||||
| 5 | R | 33.3 | Very low | 34.8 | Very low | 219 Ų | 219 | 153.5 Ų | 153.5 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | 58.3 | 106 | 92.1 | -86.8 | -171.4 | 177.5 | -176.2 | 2.2 | 113.8 | |||||
| 6 | T | 31.1 | Very low | 36.7 | Very low | 148 Ų | 148 | 146.6 Ų | 146.6 | 91% | 0.908 | 80% | 0.796 | S | S | * | * | trans | -112.2 | 111.2 | 157.1 | 35.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 7 | Q | 29.6 | Very low | 38.5 | Very low | 176 Ų | 176 | 141.6 Ų | 141.6 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 136.3 | 169 | -85.9 | 177.5 | -20.5 | 0 | 0 | 109.3 | ||
| 8 | N | 29.2 | Very low | 40.5 | Very low | 160 Ų | 160 | 139.2 Ų | 139.2 | 86% | 0.856 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 117.3 | 176.5 | -150 | 8.4 | 0 | 0 | 0 | 108 | ||
| 9 | P | 32 | Very low | 42.3 | Very low | 99 Ų | 99 | 138.6 Ų | 138.6 | 64% | 0.643 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -92.4 | 126.4 | 176.1 | 32 | -24 | 0 | 0 | 0 | 109.7 | ||
| 10 | H | 33.4 | Very low | 44.2 | Very low | 179 Ų | 179 | 132.4 Ų | 132.4 | 83% | 0.829 | 71% | 0.713 | S | S | * | * | trans | 93.6 | 67.8 | -177.7 | -50.6 | -63.1 | 0 | 0 | 0 | 116.1 | L12 | H10-L12 PolarHBondContact O-N 3.33Š| ||
| 11 | G | 38.1 | Very low | 46 | Very low | 80 Ų | 80 | 126.7 Ų | 126.7 | 83% | 0.825 | 68% | 0.681 | S | S | * | * | trans | -71.4 | 117.8 | 158.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 12 | L | 34.5 | Very low | 48.5 | Very low | 141 Ų | 141 | 119.8 Ų | 119.8 | 74% | 0.738 | 65% | 0.649 | S | S | * | * | trans | -119.7 | 113.7 | 161.6 | -85.7 | 156.1 | 0 | 0 | 0 | 106.8 | H10 Q14 | H10-L12 PolarHBondContact O-N 3.33Å; L12-Q14 PolarHBondContact O-N 2.74Å | ||
| 13 | K | 38.4 | Very low | 51.1 | Low | 186 Ų | 186 | 116.4 Ų | 116.4 | 81% | 0.809 | 62% | 0.621 | S | S | * | * | trans | -60.6 | 131 | 165.2 | -75.4 | -179.6 | 176.5 | 179.1 | 0 | 107.3 | I15 | K13-I15 VanDerWaalsContact C-N 3.28Å; K13-I15 HydrophobicContact CB-CG1 4.04Å; K13-I15 PolarHBondContact O-N 3.39Å | ||
| 14 | Q | 42.2 | Very low | 53.6 | Low | 204 Ų | 204 | 110.8 Ų | 110.8 | 95% | 0.953 | 58% | 0.582 | S | S | * | * | trans | -65.7 | 92.9 | 163.4 | -87.5 | 177.8 | -22.3 | 0 | 0 | 107.7 | L12 | L12-Q14 PolarHBondContact O-N 2.74Š| ||
| 15 | I | 54.6 | Low | 56.1 | Low | 74 Ų | 74 | 108.3 Ų | 108.3 | 38% | 0.379 | 56% | 0.561 | S | S | . | * | trans | -87.9 | 124.3 | 173.5 | -56.2 | 173.1 | 0 | 0 | 0 | 106.6 | K13 Q19 I20 | K13-I15 VanDerWaalsContact C-N 3.28Å; K13-I15 HydrophobicContact CB-CG1 4.04Å; K13-I15 PolarHBondContact O-N 3.39Å; I15-Q19 HydrophobicContact CG2-CB 3.73Å; I15-Q19 HydrophobicContact CG2-CG 3.86Å; I15-I20 HydrophobicContact CB-CD1 4.46Å; I15-I20 HydrophobicContact CB-CG1 4.11Å; I15-I20 HydrophobicContact CG2-CD1 4.45Å; I15-I20 HydrophobicContact CG2-CG1 3.6Å | ||
| 16 | G | 64.5 | Low | 58.6 | Low | 43 Ų | 43 | 100.3 Ų | 100.3 | 44% | 0.443 | 54% | 0.542 | S | S | . | . | trans | -64 | 150 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D18 Q19 I20 | G16-D18 PolarHBondContact O-N 3.39Å; G16-Q19 PolarHBondContact O-N 2.73Å; G16-I20 PolarHBondContact O-N 2.93Å; G16-I20 VanDerWaalsContact O-N 3.13Å | ||
| 17 | L | 67.9 | Low | 61.2 | Low | 63 Ų | 63 | 93.3 Ų | 93.3 | 33% | 0.33 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -53.4 | -38.4 | -178.8 | -73.4 | 168.8 | 0 | 0 | 0 | 112.5 | Q19 I20 W21 Y52 V84 | L17-Q19 PolarHBondContact O-N 3.21Å; L17-I20 PolarHBondContact O-N 2.83Å; L17-W21 PolarHBondContact O-N 3.4Å; L17-Y52 HydrophobicContact CB-CE2 4.09Å; L17-Y52 HydrophobicContact CD2-CD1 4.29Å; L17-Y52 HydrophobicContact CD2-CD2 3.83Å; L17-Y52 HydrophobicContact CD2-CE1 4.32Å; L17-Y52 HydrophobicContact CD2-CE2 3.89Å; L17-Y52 HydrophobicContact CD2-CG 4.04Å; L17-Y52 VanDerWaalsContact O-CE2 3.29Å; L17-Y52 WeakPolarHBondContact O-CE2 3.34Å; L17-V84 HydrophobicContact CD2-CG1 4.39Å |
| 18 | D | 73.6 | Confident | 64 | Low | 97 Ų | 97 | 84.9 Ų | 84.9 | 52% | 0.519 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.2 | -35.1 | 178.1 | -66.4 | -44.6 | 0 | 0 | 0 | 113.1 | G16 W21 D22 R91 | G16-D18 PolarHBondContact O-N 3.39Å; D18-W21 PolarHBondContact O-N 3.03Å; D18-D22 VanDerWaalsContact O-CG 3.32Å; D18-D22 PolarHBondContact O-N 3.01Å; D18-R91 IonicContact OD1-CZ 3.77Å; D18-R91 IonicContact OD1-NH1 3.75Å; D18-R91 PolarHBondContact OD1-NH1 3.01Å; D18-R91 IonicContact OD1-NH2 2.75Å; D18-R91 PolarHBondContact OD1-NH2 2.76Å |
| 19 | Q | 75.7 | Confident | 66.7 | Low | 129 Ų | 129 | 82.6 Ų | 82.6 | 60% | 0.603 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -72.8 | -29.9 | 176.9 | -168.4 | 166.4 | 33.5 | 0 | 0 | 112.2 | I15 G16 L17 D23 | I15-Q19 HydrophobicContact CG2-CB 3.73Å; I15-Q19 HydrophobicContact CG2-CG 3.86Å; G16-Q19 PolarHBondContact O-N 2.73Å; L17-Q19 PolarHBondContact O-N 3.21Å; Q19-D23 PolarHBondContact O-N 3.2Å |
| 20 | I | 78.8 | Confident | 69.3 | Low | 14 Ų | 14 | 80 Ų | 80 | 7% | 0.072 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -68.9 | -40.1 | 169.7 | -60.2 | 175.9 | 0 | 0 | 0 | 110.4 | I15 G16 L17 L24 H48 Y52 | I15-I20 HydrophobicContact CB-CD1 4.46Å; I15-I20 HydrophobicContact CB-CG1 4.11Å; I15-I20 HydrophobicContact CG2-CD1 4.45Å; I15-I20 HydrophobicContact CG2-CG1 3.6Å; G16-I20 PolarHBondContact O-N 2.93Å; G16-I20 VanDerWaalsContact O-N 3.13Å; L17-I20 PolarHBondContact O-N 2.83Å; I20-L24 WeakPolarHBondContact O-CB 3.4Å; I20-L24 PolarHBondContact O-N 3.45Å; I20-H48 HydrophobicContact CG2-CB 3.83Å; I20-Y52 HydrophobicContact CB-CD2 4.06Å; I20-Y52 HydrophobicContact CG2-CD2 3.79Å |
| 21 | W | 82.8 | Confident | 71.9 | Confident | 13 Ų | 13 | 72.1 Ų | 72.1 | 5% | 0.049 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.9 | -40.7 | 176.8 | 174.1 | -105.4 | 0 | 0 | 0 | 112.6 | L17 D18 D23 L24 R25 Y52 L88 R91 L92 | L17-W21 PolarHBondContact O-N 3.4Å; D18-W21 PolarHBondContact O-N 3.03Å; W21-D23 PolarHBondContact O-N 2.72Å; W21-L24 HydrophobicContact CE3-CD2 3.98Å; W21-L24 HydrophobicContact CZ3-CD2 4.02Å; W21-L24 PolarHBondContact O-N 3.07Å; W21-R25 HydrophobicContact CZ2-CB 4.35Å; W21-R25 VanDerWaalsContact O-CB 3.23Å; W21-R25 WeakPolarHBondContact O-CB 3.45Å; W21-R25 PolarHBondContact O-N 3.14Å; W21-Y52 HydrophobicContact CB-CE2 4.17Å; W21-L88 HydrophobicContact CE3-CD1 3.56Å; W21-L88 HydrophobicContact CZ3-CD1 3.59Å; W21-R91 HydrophobicContact CD2-CB 4.08Å; W21-R91 HydrophobicContact CD2-CG 4.48Å; W21-R91 HydrophobicContact CE3-CB 4.1Å; W21-R91 VanDerWaalsContact CH2-C 3.45Å; W21-R91 HydrophobicContact CH2-CB 3.51Å; W21-R91 HydrophobicContact CZ2-CB 3.48Å; W21-R91 VanDerWaalsContact CZ2-CB 3.48Å; W21-R91 HydrophobicContact CZ2-CG 4.43Å; W21-R91 HydrophobicContact CZ3-CB 3.82Å; W21-L92 HydrophobicContact CH2-CD2 4Å; W21-L92 HydrophobicContact CH2-CG 4.24Å; W21-L92 HydrophobicContact CZ3-CD2 3.93Å; W21-L92 HydrophobicContact CZ3-CG 4.08Å |
| 22 | D | 83.8 | Confident | 74.3 | Confident | 96 Ų | 96 | 68.7 Ų | 68.7 | 51% | 0.513 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 178.8 | -72.5 | -25.2 | 0 | 0 | 0 | 111.8 | D18 R25 A26 | D18-D22 VanDerWaalsContact O-CG 3.32Å; D18-D22 PolarHBondContact O-N 3.01Å; D22-R25 PolarHBondContact O-N 3.33Å; D22-A26 PolarHBondContact O-N 2.93Å |
| 23 | D | 84.5 | Confident | 76.7 | Confident | 53 Ų | 53 | 65.4 Ų | 65.4 | 28% | 0.283 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -68.6 | -39.9 | 175.3 | -167.9 | 55.1 | 0 | 0 | 0 | 112.1 | Q19 W21 A26 G27 R41 H48 | Q19-D23 PolarHBondContact O-N 3.2Å; W21-D23 PolarHBondContact O-N 2.72Å; D23-A26 PolarHBondContact O-N 3.4Å; D23-G27 PolarHBondContact O-N 3.36Å; D23-R41 IonicContact OD1-CZ 3.01Å; D23-R41 IonicContact OD1-NH1 2.91Å; D23-R41 IonicContact OD1-NH2 2.74Å; D23-R41 PolarHBondContact OD1-NH2 3.45Å; D23-R41 IonicContact OD2-CZ 3.6Å; D23-R41 IonicContact OD2-NH1 3.58Å; D23-R41 PolarHBondContact OD2-NH1 3.31Å; D23-R41 IonicContact OD2-NH2 3.06Å; D23-R41 PolarHBondContact OD2-NH2 3.01Å; D23-H48 IonicContact OD2-CD2 3.22Å; D23-H48 IonicContact OD2-NE2 3.16Å |
| 24 | L | 85 | Confident | 78.7 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 174.6 | -175.2 | 66.7 | 0 | 0 | 0 | 111.1 | I20 W21 G27 I28 L45 V49 L88 I136 | I20-L24 WeakPolarHBondContact O-CB 3.4Å; I20-L24 PolarHBondContact O-N 3.45Å; W21-L24 HydrophobicContact CE3-CD2 3.98Å; W21-L24 HydrophobicContact CZ3-CD2 4.02Å; W21-L24 PolarHBondContact O-N 3.07Å; L24-G27 PolarHBondContact O-N 3Å; L24-I28 HydrophobicContact CD1-CD1 4.42Å; L24-I28 HydrophobicContact CD2-CD1 4.5Å; L24-I28 HydrophobicContact CG-CD1 3.91Å; L24-I28 HydrophobicContact CG-CG1 4.45Å; L24-I28 WeakPolarHBondContact O-CG1 3.33Å; L24-I28 PolarHBondContact O-N 3.06Å; L24-L45 HydrophobicContact CD1-CB 4.3Å; L24-L45 HydrophobicContact CD1-CD2 4.06Å; L24-V49 HydrophobicContact CD1-CG2 3.79Å; L24-V49 HydrophobicContact CD2-CG2 3.92Å; L24-L88 HydrophobicContact CD2-CD1 3.8Å; L24-I136 HydrophobicContact CD1-CG2 4.3Å |
| 25 | R | 86.1 | Confident | 80.7 | Confident | 101 Ų | 101 | 59.8 Ų | 59.8 | 38% | 0.381 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 176.5 | -177.1 | -174 | -121.6 | -169.4 | 0.7 | 111 | W21 D22 G27 I28 Q29 F95 | W21-R25 HydrophobicContact CZ2-CB 4.35Å; W21-R25 VanDerWaalsContact O-CB 3.23Å; W21-R25 WeakPolarHBondContact O-CB 3.45Å; W21-R25 PolarHBondContact O-N 3.14Å; D22-R25 PolarHBondContact O-N 3.33Å; R25-G27 VanDerWaalsContact C-N 3.33Å; R25-G27 PolarHBondContact O-N 3.39Å; R25-I28 PolarHBondContact O-N 3.32Å; R25-Q29 WeakPolarHBondContact O-CB 3.38Å; R25-Q29 PolarHBondContact O-N 2.74Å; R25-F95 HydrophobicContact CG-CD2 4.13Å; R25-F95 HydrophobicContact CG-CE2 4.32Å |
| 26 | A | 85.8 | Confident | 81.8 | Confident | 51 Ų | 51 | 61.9 Ų | 61.9 | 42% | 0.421 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.5 | -42 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | D22 D23 Q29 Q30 | D22-A26 PolarHBondContact O-N 2.93Å; D23-A26 PolarHBondContact O-N 3.4Å; A26-Q29 PolarHBondContact O-N 3.37Å; A26-Q30 PolarHBondContact O-N 3.23Å |
| 27 | G | 85.4 | Confident | 82.7 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D23 L24 R25 Q30 V31 | D23-G27 PolarHBondContact O-N 3.36Å; L24-G27 PolarHBondContact O-N 3Å; R25-G27 VanDerWaalsContact C-N 3.33Å; R25-G27 PolarHBondContact O-N 3.39Å; G27-Q30 WeakPolarHBondContact O-CB 3.44Å; G27-Q30 PolarHBondContact O-N 3.49Å; G27-V31 WeakPolarHBondContact O-CG2 3.47Å; G27-V31 PolarHBondContact O-N 3.45Å; G27-V31 VanDerWaalsContact O-N 3.14Å |
| 28 | I | 86.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.3 | -41.3 | 175.6 | -63.4 | 166.1 | 0 | 0 | 0 | 110.2 | L24 R25 Q30 V31 Y32 L92 F95 L133 | L24-I28 HydrophobicContact CD1-CD1 4.42Å; L24-I28 HydrophobicContact CD2-CD1 4.5Å; L24-I28 HydrophobicContact CG-CD1 3.91Å; L24-I28 HydrophobicContact CG-CG1 4.45Å; L24-I28 WeakPolarHBondContact O-CG1 3.33Å; L24-I28 PolarHBondContact O-N 3.06Å; R25-I28 PolarHBondContact O-N 3.32Å; I28-Q30 VanDerWaalsContact C-N 3.28Å; I28-Q30 PolarHBondContact O-N 3.35Å; I28-V31 WeakPolarHBondContact O-CB 3.38Å; I28-V31 PolarHBondContact O-N 3.04Å; I28-V31 VanDerWaalsContact O-N 3.07Å; I28-Y32 HydrophobicContact CG2-CD2 3.76Å; I28-Y32 HydrophobicContact CG2-CE2 3.89Å; I28-Y32 WeakPolarHBondContact O-CD2 3.44Å; I28-Y32 PolarHBondContact O-N 3.45Å; I28-L92 HydrophobicContact CD1-CD2 3.35Å; I28-F95 HydrophobicContact CB-CE1 4.39Å; I28-F95 HydrophobicContact CB-CZ 4.37Å; I28-F95 HydrophobicContact CG2-CD1 3.75Å; I28-F95 HydrophobicContact CG2-CE1 3.29Å; I28-F95 HydrophobicContact CG2-CE2 4.44Å; I28-F95 HydrophobicContact CG2-CZ 3.68Å; I28-L133 HydrophobicContact CD1-CD1 3.87Å; I28-L133 HydrophobicContact CG1-CD1 3.73Å; I28-L133 HydrophobicContact CG2-CD1 4.05Å |
| 29 | Q | 87.6 | Confident | 84.1 | Confident | 112 Ų | 112 | 65.4 Ų | 65.4 | 52% | 0.523 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.7 | -37.1 | 174.9 | -171.6 | 171.1 | -3.1 | 0 | 0 | 111.8 | R25 A26 V31 Y32 T33 F95 | R25-Q29 WeakPolarHBondContact O-CB 3.38Å; R25-Q29 PolarHBondContact O-N 2.74Å; A26-Q29 PolarHBondContact O-N 3.37Å; Q29-V31 VanDerWaalsContact C-N 3.31Å; Q29-V31 PolarHBondContact O-N 3.49Å; Q29-Y32 PolarHBondContact O-N 2.92Å; Q29-T33 HydrophobicContact CG-CG2 4.43Å; Q29-T33 WeakPolarHBondContact O-CB 3.49Å; Q29-T33 WeakPolarHBondContact O-CG2 3.22Å; Q29-T33 PolarHBondContact O-N 3Å; Q29-T33 PolarHBondContact O-OG1 3.19Å; Q29-F95 HydrophobicContact CB-CE2 4.35Å; Q29-F95 HydrophobicContact CB-CZ 4.35Å |
| 30 | Q | 86.7 | Confident | 84.5 | Confident | 44 Ų | 44 | 62.9 Ų | 62.9 | 21% | 0.206 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.6 | -40.7 | 172 | -168.9 | -179.9 | 8.5 | 0 | 0 | 112 | A26 G27 I28 T33 R34 Q35 S36 M37 | A26-Q30 PolarHBondContact O-N 3.23Å; G27-Q30 WeakPolarHBondContact O-CB 3.44Å; G27-Q30 PolarHBondContact O-N 3.49Å; I28-Q30 VanDerWaalsContact C-N 3.28Å; I28-Q30 PolarHBondContact O-N 3.35Å; Q30-T33 WeakPolarHBondContact CA-OG1 3.41Å; Q30-T33 PolarHBondContact O-OG1 3.16Å; Q30-R34 PolarHBondContact O-N 2.82Å; Q30-Q35 HydrophobicContact CG-CB 3.58Å; Q30-Q35 HydrophobicContact CG-CG 4.45Å; Q30-Q35 PolarHBondContact O-N 2.88Å; Q30-S36 PolarHBondContact NE2-O 2.92Å; Q30-M37 HydrophobicContact CB-CE 4.23Å; Q30-M37 HydrophobicContact CG-CE 4.3Å |
| 31 | V | 87.7 | Confident | 84.9 | Confident | 14 Ų | 14 | 64.5 Ų | 64.5 | 9% | 0.085 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66 | -48.9 | 176.6 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | G27 I28 Q29 T33 R34 M37 S129 V132 I136 | G27-V31 WeakPolarHBondContact O-CG2 3.47Å; G27-V31 PolarHBondContact O-N 3.45Å; G27-V31 VanDerWaalsContact O-N 3.14Å; I28-V31 WeakPolarHBondContact O-CB 3.38Å; I28-V31 PolarHBondContact O-N 3.04Å; I28-V31 VanDerWaalsContact O-N 3.07Å; Q29-V31 VanDerWaalsContact C-N 3.31Å; Q29-V31 PolarHBondContact O-N 3.49Å; V31-T33 VanDerWaalsContact C-N 3.3Å; V31-T33 PolarHBondContact O-N 3.29Å; V31-R34 WeakPolarHBondContact O-CA 3.43Å; V31-R34 PolarHBondContact O-N 3.19Å; V31-M37 HydrophobicContact CG2-CE 3.64Å; V31-S129 PolarHBondContact O-OG 3.44Å; V31-V132 HydrophobicContact CG1-CB 3.87Å; V31-V132 HydrophobicContact CG1-CG1 3.84Å; V31-V132 HydrophobicContact CG2-CG1 4.04Å; V31-I136 HydrophobicContact CG2-CD1 4.12Å |
| 32 | Y | 86.9 | Confident | 85.1 | Confident | 7 Ų | 7 | 67 Ų | 67 | 3% | 0.027 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -72.8 | -19.5 | -178.2 | -82.2 | -94.9 | 0 | 0 | 0 | 113.8 | I28 Q29 R34 F95 L96 Y99 Y126 S130 L133 | I28-Y32 HydrophobicContact CG2-CD2 3.76Å; I28-Y32 HydrophobicContact CG2-CE2 3.89Å; I28-Y32 WeakPolarHBondContact O-CD2 3.44Å; I28-Y32 PolarHBondContact O-N 3.45Å; Q29-Y32 PolarHBondContact O-N 2.92Å; Y32-R34 VanDerWaalsContact C-N 3.29Å; Y32-F95 AromaticContact CD2-CE1 3.97Å; Y32-F95 HydrophobicContact CD2-CE1 3.97Å; Y32-F95 HydrophobicContact CE2-CE1 4.33Å; Y32-F95 HydrophobicContact CG-CE1 4.33Å; Y32-L96 HydrophobicContact CE1-CD2 4.08Å; Y32-L96 HydrophobicContact CE2-CD2 4.14Å; Y32-L96 WeakPolarHBondContact OH-CD2 3.42Å; Y32-Y99 AromaticContact CD1-CD1 3.99Å; Y32-Y99 HydrophobicContact CD1-CD1 3.99Å; Y32-Y99 AromaticContact CD1-CE1 3.79Å; Y32-Y99 HydrophobicContact CD1-CE1 3.79Å; Y32-Y99 HydrophobicContact CD1-CE2 4.37Å; Y32-Y99 HydrophobicContact CD1-CG 4.38Å; Y32-Y99 AromaticContact CD1-CZ 3.99Å; Y32-Y99 PolarHBondContact O-OH 3.17Å; Y32-Y126 HydrophobicContact CD1-CD2 4.07Å; Y32-Y126 HydrophobicContact CD1-CE2 4.25Å; Y32-Y126 AromaticContact CE1-CD2 3.5Å; Y32-Y126 HydrophobicContact CE1-CD2 3.5Å; Y32-Y126 AromaticContact CE1-CE2 3.45Å; Y32-Y126 HydrophobicContact CE1-CE2 3.45Å; Y32-Y126 VanDerWaalsContact CE1-CE2 3.45Å; Y32-Y126 HydrophobicContact CE1-CG 4.39Å; Y32-S130 WeakPolarHBondContact OH-CA 3.48Å; Y32-S130 PolarHBondContact OH-OG 3.3Å; Y32-L133 HydrophobicContact CE2-CB 4.3Å; Y32-L133 HydrophobicContact CE2-CD2 3.96Å |
| 33 | T | 85.7 | Confident | 85.2 | Confident | 73 Ų | 73 | 66.7 Ų | 66.7 | 45% | 0.448 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 5.6 | 168.6 | 54.4 | 0 | 0 | 0 | 0 | 113.2 | Q29 Q30 V31 Q35 | Q29-T33 HydrophobicContact CG-CG2 4.43Å; Q29-T33 WeakPolarHBondContact O-CB 3.49Å; Q29-T33 WeakPolarHBondContact O-CG2 3.22Å; Q29-T33 PolarHBondContact O-N 3Å; Q29-T33 PolarHBondContact O-OG1 3.19Å; Q30-T33 WeakPolarHBondContact CA-OG1 3.41Å; Q30-T33 PolarHBondContact O-OG1 3.16Å; V31-T33 VanDerWaalsContact C-N 3.3Å; V31-T33 PolarHBondContact O-N 3.29Å; T33-Q35 PolarHBondContact O-N 2.99Å |
| 34 | R | 80.8 | Confident | 85.2 | Confident | 150 Ų | 150 | 68.3 Ų | 68.3 | 57% | 0.566 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 33.7 | -178.1 | -49.6 | -150.3 | -32.1 | 169.4 | 14 | 115.7 | Q30 V31 Y32 D125 | Q30-R34 PolarHBondContact O-N 2.82Å; V31-R34 WeakPolarHBondContact O-CA 3.43Å; V31-R34 PolarHBondContact O-N 3.19Å; Y32-R34 VanDerWaalsContact C-N 3.29Å; R34-D125 VanDerWaalsContact CD-OD1 3.27Å; R34-D125 WeakPolarHBondContact CD-OD1 3.47Å; R34-D125 IonicContact CZ-OD1 3.4Å; R34-D125 IonicContact NE-OD1 3.51Å; R34-D125 IonicContact NH1-OD1 2.73Å; R34-D125 PolarHBondContact NH1-OD1 3.09Å |
| 35 | Q | 84 | Confident | 85.3 | Confident | 121 Ų | 121 | 68.3 Ų | 68.3 | 57% | 0.565 | 35% | 0.349 | S | S | * | . | trans | -73.7 | 140.9 | 171.5 | -66.1 | 179.8 | 3.5 | 0 | 0 | 109.8 | Q30 T33 M37 | Q30-Q35 HydrophobicContact CG-CB 3.58Å; Q30-Q35 HydrophobicContact CG-CG 4.45Å; Q30-Q35 PolarHBondContact O-N 2.88Å; T33-Q35 PolarHBondContact O-N 2.99Å; Q35-M37 PolarHBondContact O-N 3.43Å | ||
| 36 | S | 77.3 | Confident | 85.3 | Confident | 119 Ų | 119 | 67 Ų | 67 | 83% | 0.832 | 35% | 0.345 | S | S | * | . | trans | -61.9 | 129.1 | 179 | 60 | 0 | 0 | 0 | 0 | 110.8 | Q30 | Q30-S36 PolarHBondContact NE2-O 2.92Š| ||
| 37 | M | 84.3 | Confident | 85.2 | Confident | 47 Ų | 47 | 67.7 Ų | 67.7 | 23% | 0.232 | 34% | 0.344 | C | S | . | . | trans | -112.4 | 128.5 | 179.5 | -172.3 | 178.1 | -71.7 | 0 | 0 | 110.6 | Q30 V31 Q35 R41 L45 | Q30-M37 HydrophobicContact CB-CE 4.23Å; Q30-M37 HydrophobicContact CG-CE 4.3Å; V31-M37 HydrophobicContact CG2-CE 3.64Å; Q35-M37 PolarHBondContact O-N 3.43Å; M37-R41 HydrophobicContact CE-CG 4.44Å; M37-R41 HydrophobicContact CG-CB 3.79Å; M37-R41 HydrophobicContact CG-CG 3.79Å; M37-R41 HydrophobicContact SD-CB 4.45Å; M37-R41 HydrophobicContact SD-CG 4.1Å; M37-L45 HydrophobicContact CE-CD1 3.48Å; M37-L45 VanDerWaalsContact CE-CD1 3.48Å; M37-L45 HydrophobicContact SD-CD1 3.65Å | ||
| 38 | A | 85.6 | Confident | 85 | Confident | 58 Ų | 58 | 69.2 Ų | 69.2 | 48% | 0.479 | 35% | 0.351 | S | S | . | . | trans | -67.7 | 148.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | S40 R41 Y42 | A38-S40 PolarHBondContact O-N 3.49Å; A38-R41 WeakPolarHBondContact O-CB 3.41Å; A38-R41 PolarHBondContact O-N 3.4Å; A38-Y42 PolarHBondContact O-N 3.44Å | ||
| 39 | K | 84 | Confident | 84.7 | Confident | 171 Ų | 171 | 69.2 Ų | 69.2 | 74% | 0.743 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -56.6 | -34.6 | 178.1 | -175.2 | 177.9 | 178.7 | -178.6 | 0 | 112.7 | M43 | K39-M43 WeakPolarHBondContact O-CG 3.46Å; K39-M43 PolarHBondContact O-N 3.21Å; K39-M43 VanDerWaalsContact O-N 3.09Å |
| 40 | S | 84.3 | Confident | 84.5 | Confident | 77 Ų | 77 | 68.7 Ų | 68.7 | 54% | 0.538 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.5 | -48.6 | 173.7 | 48.8 | 0 | 0 | 0 | 0 | 111.4 | A38 Y42 M43 E44 | A38-S40 PolarHBondContact O-N 3.49Å; S40-Y42 PolarHBondContact O-N 3.24Å; S40-M43 PolarHBondContact O-N 3.15Å; S40-E44 WeakPolarHBondContact O-CG 3.06Å; S40-E44 PolarHBondContact O-N 2.75Å |
| 41 | R | 86.9 | Confident | 84.1 | Confident | 47 Ų | 47 | 69.4 Ų | 69.4 | 18% | 0.177 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.2 | -39.5 | 179.4 | -176 | 57.2 | 174.1 | 167.1 | 1.6 | 112.8 | D23 M37 A38 M43 E44 L45 | D23-R41 IonicContact OD1-CZ 3.01Å; D23-R41 IonicContact OD1-NH1 2.91Å; D23-R41 IonicContact OD1-NH2 2.74Å; D23-R41 PolarHBondContact OD1-NH2 3.45Å; D23-R41 IonicContact OD2-CZ 3.6Å; D23-R41 IonicContact OD2-NH1 3.58Å; D23-R41 PolarHBondContact OD2-NH1 3.31Å; D23-R41 IonicContact OD2-NH2 3.06Å; D23-R41 PolarHBondContact OD2-NH2 3.01Å; M37-R41 HydrophobicContact CE-CG 4.44Å; M37-R41 HydrophobicContact CG-CB 3.79Å; M37-R41 HydrophobicContact CG-CG 3.79Å; M37-R41 HydrophobicContact SD-CB 4.45Å; M37-R41 HydrophobicContact SD-CG 4.1Å; A38-R41 WeakPolarHBondContact O-CB 3.41Å; A38-R41 PolarHBondContact O-N 3.4Å; R41-M43 VanDerWaalsContact C-N 3.31Å; R41-M43 PolarHBondContact O-N 3.25Å; R41-E44 VanDerWaalsContact CD-OE2 3.22Å; R41-E44 WeakPolarHBondContact CD-OE2 3.49Å; R41-E44 IonicContact NH1-OE2 2.83Å; R41-E44 PolarHBondContact NH1-OE2 3.25Å; R41-E44 VanDerWaalsContact NH1-OE2 3.16Å; R41-E44 WeakPolarHBondContact O-CB 3.47Å; R41-E44 PolarHBondContact O-N 3.48Å; R41-L45 WeakPolarHBondContact O-CG 3.48Å; R41-L45 PolarHBondContact O-N 3.19Å |
| 42 | Y | 87.4 | Confident | 83.5 | Confident | 65 Ų | 65 | 68.9 Ų | 68.9 | 26% | 0.255 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60 | -43.9 | 173.4 | 178.6 | -83.1 | 0 | 0 | 0 | 111.5 | A38 S40 L45 Y46 V132 G135 I136 | A38-Y42 PolarHBondContact O-N 3.44Å; S40-Y42 PolarHBondContact O-N 3.24Å; Y42-L45 PolarHBondContact O-N 3.36Å; Y42-Y46 PolarHBondContact O-N 2.99Å; Y42-V132 HydrophobicContact CD2-CG1 4.42Å; Y42-V132 HydrophobicContact CE2-CG1 4.12Å; Y42-G135 WeakPolarHBondContact OH-CA 3.21Å; Y42-G135 PolarHBondContact OH-O 2.95Å; Y42-I136 HydrophobicContact CD2-CD1 4.31Å; Y42-I136 HydrophobicContact CD2-CG1 3.85Å; Y42-I136 HydrophobicContact CE2-CD1 4.27Å; Y42-I136 HydrophobicContact CE2-CG1 3.48Å; Y42-I136 VanDerWaalsContact CE2-CG1 3.48Å; Y42-I136 PolarHBondContact OH-N 3.44Å |
| 43 | M | 86.1 | Confident | 82.9 | Confident | 91 Ų | 91 | 69.5 Ų | 69.5 | 45% | 0.448 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.8 | -36.3 | 177.6 | -71.9 | -61.5 | 153.7 | 0 | 0 | 112.2 | K39 S40 R41 Y46 T47 | K39-M43 WeakPolarHBondContact O-CG 3.46Å; K39-M43 PolarHBondContact O-N 3.21Å; K39-M43 VanDerWaalsContact O-N 3.09Å; S40-M43 PolarHBondContact O-N 3.15Å; R41-M43 VanDerWaalsContact C-N 3.31Å; R41-M43 PolarHBondContact O-N 3.25Å; M43-Y46 PolarHBondContact O-N 3.3Å; M43-T47 WeakPolarHBondContact O-CB 3.32Å; M43-T47 PolarHBondContact O-N 2.98Å; M43-T47 PolarHBondContact O-OG1 3.42Å |
| 44 | E | 85.3 | Confident | 82.3 | Confident | 87 Ų | 87 | 67.2 Ų | 67.2 | 41% | 0.407 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -57.7 | -49.6 | 171 | -73.7 | 167 | -164.6 | 0 | 0 | 111.3 | S40 R41 Y46 T47 H48 | S40-E44 WeakPolarHBondContact O-CG 3.06Å; S40-E44 PolarHBondContact O-N 2.75Å; R41-E44 VanDerWaalsContact CD-OE2 3.22Å; R41-E44 WeakPolarHBondContact CD-OE2 3.49Å; R41-E44 IonicContact NH1-OE2 2.83Å; R41-E44 PolarHBondContact NH1-OE2 3.25Å; R41-E44 VanDerWaalsContact NH1-OE2 3.16Å; R41-E44 WeakPolarHBondContact O-CB 3.47Å; R41-E44 PolarHBondContact O-N 3.48Å; E44-Y46 VanDerWaalsContact C-N 3.34Å; E44-Y46 PolarHBondContact O-N 3.29Å; E44-T47 CarbonylContact O-C 3.56Å; E44-T47 PolarHBondContact O-N 3.32Å; E44-T47 VanDerWaalsContact O-N 3.16Å; E44-H48 WeakPolarHBondContact O-CB 3.27Å; E44-H48 PolarHBondContact O-CD2 3.46Å; E44-H48 PolarHBondContact O-N 2.92Å |
| 45 | L | 85.5 | Confident | 81.6 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 178.9 | -64.9 | 172.7 | 0 | 0 | 0 | 112.1 | L24 M37 R41 Y42 H48 V49 I136 | L24-L45 HydrophobicContact CD1-CB 4.3Å; L24-L45 HydrophobicContact CD1-CD2 4.06Å; M37-L45 HydrophobicContact CE-CD1 3.48Å; M37-L45 VanDerWaalsContact CE-CD1 3.48Å; M37-L45 HydrophobicContact SD-CD1 3.65Å; R41-L45 WeakPolarHBondContact O-CG 3.48Å; R41-L45 PolarHBondContact O-N 3.19Å; Y42-L45 PolarHBondContact O-N 3.36Å; L45-H48 WeakPolarHBondContact O-CB 3.39Å; L45-H48 PolarHBondContact O-N 3.09Å; L45-V49 WeakPolarHBondContact O-CG2 3.21Å; L45-V49 PolarHBondContact O-N 3.3Å; L45-I136 HydrophobicContact CB-CG2 3.87Å; L45-I136 HydrophobicContact CD1-CD1 4.13Å |
| 46 | Y | 86.5 | Confident | 80.1 | Confident | 73 Ų | 73 | 57.5 Ų | 57.5 | 29% | 0.286 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 172.9 | 179 | -89.8 | 0 | 0 | 0 | 111.8 | Y42 M43 E44 H48 V49 Y50 I136 A138 | Y42-Y46 PolarHBondContact O-N 2.99Å; M43-Y46 PolarHBondContact O-N 3.3Å; E44-Y46 VanDerWaalsContact C-N 3.34Å; E44-Y46 PolarHBondContact O-N 3.29Å; Y46-H48 VanDerWaalsContact C-N 3.29Å; Y46-H48 PolarHBondContact O-N 3.39Å; Y46-V49 PolarHBondContact O-N 2.85Å; Y46-Y50 PolarHBondContact O-N 2.98Å; Y46-I136 WeakPolarHBondContact CD2-O 3.22Å; Y46-A138 HydrophobicContact CE2-CB 4.19Å |
| 47 | T | 83.4 | Confident | 78.6 | Confident | 65 Ų | 65 | 58.2 Ų | 58.2 | 40% | 0.399 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.4 | -34 | 175.6 | -63.3 | 0 | 0 | 0 | 0 | 111.5 | M43 E44 Y50 N51 | M43-T47 WeakPolarHBondContact O-CB 3.32Å; M43-T47 PolarHBondContact O-N 2.98Å; M43-T47 PolarHBondContact O-OG1 3.42Å; E44-T47 CarbonylContact O-C 3.56Å; E44-T47 PolarHBondContact O-N 3.32Å; E44-T47 VanDerWaalsContact O-N 3.16Å; T47-Y50 WeakPolarHBondContact O-CB 3.45Å; T47-Y50 PolarHBondContact O-N 3.45Å; T47-N51 VanDerWaalsContact O-CB 3.27Å; T47-N51 WeakPolarHBondContact O-CB 3.47Å; T47-N51 PolarHBondContact O-N 3.26Å; T47-N51 PolarHBondContact O-ND2 2.97Å |
| 48 | H | 82.4 | Confident | 76.5 | Confident | 33 Ų | 33 | 63.5 Ų | 63.5 | 15% | 0.153 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.6 | -45.6 | 173 | -77.7 | -56 | 0 | 0 | 0 | 111.6 | I20 D23 E44 L45 Y46 Y50 N51 Y52 | I20-H48 HydrophobicContact CG2-CB 3.83Å; D23-H48 IonicContact OD2-CD2 3.22Å; D23-H48 IonicContact OD2-NE2 3.16Å; E44-H48 WeakPolarHBondContact O-CB 3.27Å; E44-H48 PolarHBondContact O-CD2 3.46Å; E44-H48 PolarHBondContact O-N 2.92Å; L45-H48 WeakPolarHBondContact O-CB 3.39Å; L45-H48 PolarHBondContact O-N 3.09Å; Y46-H48 VanDerWaalsContact C-N 3.29Å; Y46-H48 PolarHBondContact O-N 3.39Å; H48-Y50 VanDerWaalsContact C-N 3.34Å; H48-Y50 PolarHBondContact O-N 3.32Å; H48-N51 PolarHBondContact O-N 3.01Å; H48-Y52 WeakPolarHBondContact O-CB 3.18Å; H48-Y52 PolarHBondContact O-N 3.38Å |
| 49 | V | 81.3 | Confident | 74.3 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.4 | -44.3 | 172.9 | 174.3 | 0 | 0 | 0 | 0 | 111 | L24 L45 Y46 Y52 C53 L88 I136 L140 | L24-V49 HydrophobicContact CD1-CG2 3.79Å; L24-V49 HydrophobicContact CD2-CG2 3.92Å; L45-V49 WeakPolarHBondContact O-CG2 3.21Å; L45-V49 PolarHBondContact O-N 3.3Å; Y46-V49 PolarHBondContact O-N 2.85Å; V49-Y52 PolarHBondContact O-N 2.72Å; V49-C53 WeakPolarHBondContact O-CB 3.26Å; V49-C53 PolarHBondContact O-N 2.98Å; V49-C53 PolarHBondContact O-SG 3.48Å; V49-L88 HydrophobicContact CG1-CD2 4.17Å; V49-I136 HydrophobicContact CG2-CG2 4.05Å; V49-L140 HydrophobicContact CG1-CB 4.09Å |
| 50 | Y | 81.9 | Confident | 72.1 | Confident | 101 Ų | 101 | 61 Ų | 61 | 40% | 0.396 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.7 | -50.5 | 175.7 | 174.9 | -92.5 | 0 | 0 | 0 | 112.2 | Y46 T47 H48 Y52 C53 T54 Y139 | Y46-Y50 PolarHBondContact O-N 2.98Å; T47-Y50 WeakPolarHBondContact O-CB 3.45Å; T47-Y50 PolarHBondContact O-N 3.45Å; H48-Y50 VanDerWaalsContact C-N 3.34Å; H48-Y50 PolarHBondContact O-N 3.32Å; Y50-Y52 VanDerWaalsContact C-N 3.32Å; Y50-Y52 PolarHBondContact O-N 2.85Å; Y50-C53 PolarHBondContact O-N 2.82Å; Y50-T54 HydrophobicContact CD2-CG2 4.29Å; Y50-T54 HydrophobicContact CE1-CG2 4.19Å; Y50-T54 HydrophobicContact CE2-CG2 3.93Å; Y50-T54 WeakPolarHBondContact O-CB 3.38Å; Y50-T54 WeakPolarHBondContact O-CG2 3.39Å; Y50-T54 PolarHBondContact O-N 3.39Å; Y50-T54 PolarHBondContact O-OG1 3.3Å; Y50-Y139 AromaticContact CD2-CD1 3.99Å; Y50-Y139 HydrophobicContact CD2-CD1 3.99Å; Y50-Y139 AromaticContact CD2-CD2 3.57Å; Y50-Y139 HydrophobicContact CD2-CD2 3.57Å; Y50-Y139 AromaticContact CD2-CE1 3.86Å; Y50-Y139 HydrophobicContact CD2-CE1 3.86Å; Y50-Y139 AromaticContact CD2-CE2 3.42Å; Y50-Y139 HydrophobicContact CD2-CE2 3.42Å; Y50-Y139 VanDerWaalsContact CD2-CE2 3.42Å; Y50-Y139 AromaticContact CD2-CG 3.85Å; Y50-Y139 HydrophobicContact CD2-CG 3.85Å; Y50-Y139 AromaticContact CD2-CZ 3.57Å; Y50-Y139 HydrophobicContact CE2-CD2 4.08Å; Y50-Y139 HydrophobicContact CE2-CE1 4.26Å; Y50-Y139 AromaticContact CE2-CE2 3.47Å; Y50-Y139 HydrophobicContact CE2-CE2 3.47Å; Y50-Y139 VanDerWaalsContact CE2-CE2 3.47Å; Y50-Y139 AromaticContact CE2-CZ 3.57Å |
| 51 | N | 79.8 | Confident | 69.9 | Low | 58 Ų | 58 | 66 Ų | 66 | 31% | 0.31 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 179.3 | -71.9 | -17.2 | 0 | 0 | 0 | 111.1 | T47 H48 T54 S55 | T47-N51 VanDerWaalsContact O-CB 3.27Å; T47-N51 WeakPolarHBondContact O-CB 3.47Å; T47-N51 PolarHBondContact O-N 3.26Å; T47-N51 PolarHBondContact O-ND2 2.97Å; H48-N51 PolarHBondContact O-N 3.01Å; N51-T54 WeakPolarHBondContact CA-OG1 3.29Å; N51-T54 PolarHBondContact O-N 3.3Å; N51-S55 WeakPolarHBondContact O-CA 3.41Å; N51-S55 VanDerWaalsContact O-CB 3.29Å; N51-S55 WeakPolarHBondContact O-CB 3.23Å; N51-S55 PolarHBondContact O-N 3.18Å |
| 52 | Y | 75.1 | Confident | 67.6 | Low | 4 Ų | 4 | 68 Ų | 68 | 2% | 0.016 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.8 | -48.4 | 175.7 | -158 | -77.4 | 0 | 0 | 0 | 110.4 | L17 I20 W21 H48 V49 Y50 T54 S55 V84 L88 | L17-Y52 HydrophobicContact CB-CE2 4.09Å; L17-Y52 HydrophobicContact CD2-CD1 4.29Å; L17-Y52 HydrophobicContact CD2-CD2 3.83Å; L17-Y52 HydrophobicContact CD2-CE1 4.32Å; L17-Y52 HydrophobicContact CD2-CE2 3.89Å; L17-Y52 HydrophobicContact CD2-CG 4.04Å; L17-Y52 VanDerWaalsContact O-CE2 3.29Å; L17-Y52 WeakPolarHBondContact O-CE2 3.34Å; I20-Y52 HydrophobicContact CB-CD2 4.06Å; I20-Y52 HydrophobicContact CG2-CD2 3.79Å; W21-Y52 HydrophobicContact CB-CE2 4.17Å; H48-Y52 WeakPolarHBondContact O-CB 3.18Å; H48-Y52 PolarHBondContact O-N 3.38Å; V49-Y52 PolarHBondContact O-N 2.72Å; Y50-Y52 VanDerWaalsContact C-N 3.32Å; Y50-Y52 PolarHBondContact O-N 2.85Å; Y52-T54 VanDerWaalsContact C-N 3.35Å; Y52-T54 PolarHBondContact O-N 3.3Å; Y52-S55 PolarHBondContact O-OG 3.49Å; Y52-V84 HydrophobicContact CD1-CG1 3.55Å; Y52-V84 HydrophobicContact CE1-CG1 3.56Å; Y52-V84 WeakPolarHBondContact O-CG1 3.2Å; Y52-L88 HydrophobicContact CD1-CB 3.87Å; Y52-L88 HydrophobicContact CD1-CD1 4.2Å; Y52-L88 HydrophobicContact CD1-CD2 3.86Å; Y52-L88 HydrophobicContact CD1-CG 4.19Å; Y52-L88 HydrophobicContact CE1-CB 3.68Å; Y52-L88 HydrophobicContact CE1-CD1 4.17Å; Y52-L88 HydrophobicContact CE1-CD2 4.48Å; Y52-L88 HydrophobicContact CE1-CG 4.32Å; Y52-L88 HydrophobicContact CG-CD1 4.45Å; Y52-L88 HydrophobicContact CG-CD2 4.24Å |
| 53 | C | 74.3 | Confident | 65 | Low | 20 Ų | 20 | 76.6 Ų | 76.6 | 14% | 0.135 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -68.8 | -26 | 178.5 | -67.3 | 0 | 0 | 0 | 0 | 114.4 | V49 Y50 Y139 | V49-C53 WeakPolarHBondContact O-CB 3.26Å; V49-C53 PolarHBondContact O-N 2.98Å; V49-C53 PolarHBondContact O-SG 3.48Å; Y50-C53 PolarHBondContact O-N 2.82Å; C53-Y139 HydrophobicContact CB-CD1 3.84Å; C53-Y139 HydrophobicContact CB-CE1 3.75Å |
| 54 | T | 72.8 | Confident | 62.5 | Low | 25 Ų | 25 | 75.7 Ų | 75.7 | 15% | 0.153 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -103.2 | -8.9 | -175.5 | 55.5 | 0 | 0 | 0 | 0 | 114.6 | Y50 N51 Y52 V56 H57 Y139 | Y50-T54 HydrophobicContact CD2-CG2 4.29Å; Y50-T54 HydrophobicContact CE1-CG2 4.19Å; Y50-T54 HydrophobicContact CE2-CG2 3.93Å; Y50-T54 WeakPolarHBondContact O-CB 3.38Å; Y50-T54 WeakPolarHBondContact O-CG2 3.39Å; Y50-T54 PolarHBondContact O-N 3.39Å; Y50-T54 PolarHBondContact O-OG1 3.3Å; N51-T54 WeakPolarHBondContact CA-OG1 3.29Å; N51-T54 PolarHBondContact O-N 3.3Å; Y52-T54 VanDerWaalsContact C-N 3.35Å; Y52-T54 PolarHBondContact O-N 3.3Å; T54-V56 PolarHBondContact O-N 2.95Å; T54-H57 PolarHBondContact O-N 2.74Å; T54-Y139 HydrophobicContact CG2-CE1 3.97Å; T54-Y139 WeakPolarHBondContact CG2-OH 3.23Å |
| 55 | S | 65.3 | Low | 60 | Low | 38 Ų | 38 | 77.3 Ų | 77.3 | 27% | 0.266 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -50.6 | -24.9 | -178.4 | 58.6 | 0 | 0 | 0 | 0 | 115.2 | N51 Y52 | N51-S55 WeakPolarHBondContact O-CA 3.41Å; N51-S55 VanDerWaalsContact O-CB 3.29Å; N51-S55 WeakPolarHBondContact O-CB 3.23Å; N51-S55 PolarHBondContact O-N 3.18Å; Y52-S55 PolarHBondContact O-OG 3.49Å |
| 56 | V | 52.4 | Low | 57.6 | Low | 28 Ų | 28 | 84 Ų | 84 | 17% | 0.17 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -71.1 | -32 | 178.3 | -177.6 | 0 | 0 | 0 | 0 | 112.4 | T54 Q58 S59 S60 G80 A81 V84 | T54-V56 PolarHBondContact O-N 2.95Å; V56-Q58 VanDerWaalsContact C-N 3.3Å; V56-Q58 PolarHBondContact O-N 3.22Å; V56-S59 PolarHBondContact O-N 2.96Å; V56-S59 PolarHBondContact O-OG 3.47Å; V56-S60 PolarHBondContact O-OG 2.87Å; V56-G80 WeakPolarHBondContact CG2-O 3.32Å; V56-A81 HydrophobicContact CB-CB 4.44Å; V56-V84 HydrophobicContact CG2-CB 4.27Å; V56-V84 HydrophobicContact CG2-CG2 3.54Å |
| 57 | H | 45.5 | Very low | 55.4 | Low | 135 Ų | 135 | 86 Ų | 86 | 63% | 0.625 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.7 | -24.9 | -177.9 | -78.2 | -57.2 | 0 | 0 | 0 | 113.8 | T54 | T54-H57 PolarHBondContact O-N 2.74Å |
| 58 | Q | 41.5 | Very low | 53.7 | Low | 157 Ų | 157 | 89.2 Ų | 89.2 | 73% | 0.734 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -77.4 | -25.4 | 177.7 | -79.7 | -176.8 | -7 | 0 | 0 | 113.4 | V56 | V56-Q58 VanDerWaalsContact C-N 3.3Å; V56-Q58 PolarHBondContact O-N 3.22Å |
| 59 | S | 38.3 | Very low | 51.3 | Low | 90 Ų | 90 | 92.6 Ų | 92.6 | 63% | 0.629 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -78.4 | -19.1 | -178.5 | 67.4 | 0 | 0 | 0 | 0 | 114.1 | V56 | V56-S59 PolarHBondContact O-N 2.96Å; V56-S59 PolarHBondContact O-OG 3.47Å |
| 60 | S | 38.2 | Very low | 49.1 | Very low | 87 Ų | 87 | 102.6 Ų | 102.6 | 61% | 0.608 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -93.5 | -13 | -171.1 | -35.7 | 0 | 0 | 0 | 0 | 114.9 | V56 | V56-S60 PolarHBondContact O-OG 2.87Š|
| 61 | Q | 38.4 | Very low | 47.4 | Very low | 182 Ų | 182 | 103.1 Ų | 103.1 | 85% | 0.85 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -89.8 | 0.7 | -176.3 | -87.7 | -176.2 | -10.4 | 0 | 0 | 115.1 | ||
| 62 | A | 37.9 | Very low | 44.8 | Very low | 88 Ų | 88 | 105.7 Ų | 105.7 | 73% | 0.727 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -102 | 17.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 63 | R | 33.9 | Very low | 42.8 | Very low | 247 Ų | 247 | 114.9 Ų | 114.9 | 93% | 0.932 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -130.6 | 118.7 | 171.5 | -78.7 | -170.9 | 177.8 | 179.1 | 0.2 | 112.2 | ||
| 64 | G | 33.1 | Very low | 41 | Very low | 71 Ų | 71 | 124.5 Ų | 124.5 | 73% | 0.732 | 71% | 0.707 | S | S | * | * | trans | -78.1 | 154.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 65 | S | 32.9 | Very low | 38.9 | Very low | 122 Ų | 122 | 128 Ų | 128 | 85% | 0.853 | 73% | 0.732 | S | S | * | * | trans | 18.2 | 111 | 143.8 | 58.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 66 | V | 35.1 | Very low | 37.5 | Very low | 140 Ų | 140 | 133.3 Ų | 133.3 | 85% | 0.848 | 76% | 0.763 | S | S | * | * | trans | -149 | 142.5 | 148 | -178 | 0 | 0 | 0 | 0 | 109 | ||||
| 67 | P | 39.4 | Very low | 36.5 | Very low | 116 Ų | 116 | 137.5 Ų | 137.5 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | trans | -86.6 | 177.8 | -168.7 | 37 | -36.5 | 0 | 0 | 0 | 114.8 | ||||
| 68 | P | 49 | Very low | 36.2 | Very low | 131 Ų | 131 | 134.2 Ų | 134.2 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | trans | -97.4 | 150.6 | -139 | 37.6 | -35.8 | 0 | 0 | 0 | 116 | ||||
| 69 | A | 30.8 | Very low | 36.3 | Very low | 105 Ų | 105 | 129 Ų | 129 | 87% | 0.868 | 77% | 0.769 | S | S | * | * | trans | -125.6 | 140.5 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 70 | K | 34.4 | Very low | 37 | Very low | 209 Ų | 209 | 126.5 Ų | 126.5 | 91% | 0.909 | 76% | 0.757 | S | S | * | * | trans | -77.9 | 170.4 | -168.9 | -97 | -174.3 | -179.2 | 177.8 | 0 | 114 | ||||
| 71 | P | 46.3 | Very low | 37.7 | Very low | 113 Ų | 113 | 124.2 Ų | 124.2 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | trans | -103.6 | 161.8 | -137.5 | 39.8 | -35.8 | 0 | 0 | 0 | 114.6 | ||||
| 72 | S | 27 | Very low | 38.6 | Very low | 111 Ų | 111 | 117.9 Ų | 117.9 | 78% | 0.776 | 71% | 0.713 | S | S | * | * | 175.3 | 156.6 | 121.9 | 62.8 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 73 | K | 32.2 | Very low | 39.6 | Very low | 197 Ų | 197 | 119.9 Ų | 119.9 | 86% | 0.857 | 71% | 0.706 | S | S | * | * | trans | 85.4 | 104.4 | 166 | -67.3 | -173.5 | 178.8 | 178.1 | 0 | 118.6 | S75 | K73-S75 PolarHBondContact O-N 3Š| ||
| 74 | K | 37.4 | Very low | 41.4 | Very low | 222 Ų | 222 | 109.1 Ų | 109.1 | 97% | 0.965 | 67% | 0.668 | S | S | * | * | trans | -44.6 | 111.1 | 173.4 | -69 | 172.8 | 173.2 | 178.6 | 0 | 112.4 | ||||
| 75 | S | 27.2 | Very low | 43.4 | Very low | 99 Ų | 99 | 105.8 Ų | 105.8 | 69% | 0.692 | 63% | 0.634 | S | S | * | * | trans | -119.3 | 122.1 | 151.2 | 56.4 | 0 | 0 | 0 | 0 | 107.1 | K73 T77 | K73-S75 PolarHBondContact O-N 3Å; S75-T77 PolarHBondContact O-N 3.18Å | ||
| 76 | T | 35.7 | Very low | 45.6 | Very low | 149 Ų | 149 | 102.5 Ų | 102.5 | 91% | 0.914 | 61% | 0.606 | S | S | * | * | trans | -81.1 | 86 | 175.2 | 19.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 77 | T | 32.8 | Very low | 47.8 | Very low | 116 Ų | 116 | 99.5 Ų | 99.5 | 71% | 0.712 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 128 | 168.4 | -33.5 | 0 | 0 | 0 | 0 | 108.7 | S75 G79 | S75-T77 PolarHBondContact O-N 3.18Å; T77-G79 PolarHBondContact O-N 3.3Å |
| 78 | P | 38.8 | Very low | 49.9 | Very low | 67 Ų | 67 | 94 Ų | 94 | 44% | 0.435 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 125 | 179.6 | -5.2 | 19.6 | 0 | 0 | 0 | 109.5 | F83 | P78-F83 HydrophobicContact CB-CD2 4.48Å; P78-F83 HydrophobicContact CB-CE2 3.85Å; P78-F83 HydrophobicContact CG-CE2 4.04Å; P78-F83 HydrophobicContact CG-CZ 4.43Å |
| 79 | G | 43.5 | Very low | 51.6 | Low | 48 Ų | 48 | 88.2 Ų | 88.2 | 50% | 0.495 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 144 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | T77 A81 Q82 | T77-G79 PolarHBondContact O-N 3.3Å; G79-A81 PolarHBondContact O-N 3.37Å; G79-Q82 VanDerWaalsContact O-CB 3.25Å; G79-Q82 WeakPolarHBondContact O-CB 3.48Å; G79-Q82 PolarHBondContact O-N 3.37Å |
| 80 | G | 52.4 | Low | 54.2 | Low | 37 Ų | 37 | 88.8 Ų | 88.8 | 38% | 0.381 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -53 | -25.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | V56 Q82 F83 V84 | V56-G80 WeakPolarHBondContact CG2-O 3.32Å; G80-Q82 PolarHBondContact O-N 3.01Å; G80-F83 PolarHBondContact O-N 3.42Å; G80-V84 PolarHBondContact O-N 3.36Å |
| 81 | A | 52.5 | Low | 56.7 | Low | 39 Ų | 39 | 81.1 Ų | 81.1 | 32% | 0.322 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.1 | -26.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V56 G79 G85 | V56-A81 HydrophobicContact CB-CB 4.44Å; G79-A81 PolarHBondContact O-N 3.37Å; A81-G85 PolarHBondContact O-N 2.99Å |
| 82 | Q | 57.4 | Low | 58.6 | Low | 48 Ų | 48 | 75.8 Ų | 75.8 | 22% | 0.224 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -73.9 | -35.6 | 179 | -161.2 | 152.2 | 32.8 | 0 | 0 | 112.3 | G79 G80 L86 W144 E148 E151 | G79-Q82 VanDerWaalsContact O-CB 3.25Å; G79-Q82 WeakPolarHBondContact O-CB 3.48Å; G79-Q82 PolarHBondContact O-N 3.37Å; G80-Q82 PolarHBondContact O-N 3.01Å; Q82-L86 WeakPolarHBondContact O-CB 3.48Å; Q82-L86 PolarHBondContact O-N 3.29Å; Q82-W144 PolarHBondContact O-NE1 3.18Å; Q82-E148 PolarHBondContact NE2-OE1 3.34Å; Q82-E151 PolarHBondContact NE2-OE2 3.34Å |
| 83 | F | 60.8 | Low | 61.5 | Low | 130 Ų | 130 | 75.3 Ų | 75.3 | 57% | 0.57 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -71 | -40 | 177.2 | -81.1 | -84.7 | 0 | 0 | 0 | 112.5 | P78 G80 L86 E87 | P78-F83 HydrophobicContact CB-CD2 4.48Å; P78-F83 HydrophobicContact CB-CE2 3.85Å; P78-F83 HydrophobicContact CG-CE2 4.04Å; P78-F83 HydrophobicContact CG-CZ 4.43Å; G80-F83 PolarHBondContact O-N 3.42Å; F83-L86 PolarHBondContact O-N 3.01Å; F83-E87 WeakPolarHBondContact O-CB 3.48Å; F83-E87 PolarHBondContact O-N 3.13Å |
| 84 | V | 69.7 | Low | 64.2 | Low | 21 Ų | 21 | 71.3 Ų | 71.3 | 13% | 0.127 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -73.1 | -37.7 | -176 | -177.8 | 0 | 0 | 0 | 0 | 112.2 | L17 Y52 V56 G80 L88 | L17-V84 HydrophobicContact CD2-CG1 4.39Å; Y52-V84 HydrophobicContact CD1-CG1 3.55Å; Y52-V84 HydrophobicContact CE1-CG1 3.56Å; Y52-V84 WeakPolarHBondContact O-CG1 3.2Å; V56-V84 HydrophobicContact CG2-CB 4.27Å; V56-V84 HydrophobicContact CG2-CG2 3.54Å; G80-V84 PolarHBondContact O-N 3.36Å; V84-L88 PolarHBondContact O-N 3.44Å; V84-L88 VanDerWaalsContact O-N 3.12Å |
| 85 | G | 75.7 | Confident | 66.7 | Low | 2 Ų | 2 | 61.7 Ų | 61.7 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65 | -41 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A81 L88 Y89 W144 | A81-G85 PolarHBondContact O-N 2.99Å; G85-L88 PolarHBondContact O-N 3.02Å; G85-Y89 WeakPolarHBondContact O-CB 3.37Å; G85-Y89 PolarHBondContact O-N 3.16Å; G85-W144 VanDerWaalsContact C-CE2 3.49Å |
| 86 | L | 79.6 | Confident | 69.7 | Low | 53 Ų | 53 | 57 Ų | 57 | 28% | 0.277 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 176.8 | -178.2 | 63.6 | 0 | 0 | 0 | 112.1 | Q82 F83 Y89 K90 W144 | Q82-L86 WeakPolarHBondContact O-CB 3.48Å; Q82-L86 PolarHBondContact O-N 3.29Å; F83-L86 PolarHBondContact O-N 3.01Å; L86-Y89 PolarHBondContact O-N 2.84Å; L86-K90 WeakPolarHBondContact O-CG 3.27Å; L86-K90 PolarHBondContact O-N 3.37Å; L86-W144 HydrophobicContact CB-CH2 4.44Å; L86-W144 HydrophobicContact CB-CZ2 3.7Å; L86-W144 HydrophobicContact CD1-CH2 3.97Å; L86-W144 HydrophobicContact CD1-CZ2 3.86Å; L86-W144 HydrophobicContact CG-CZ2 4.4Å |
| 87 | E | 81.6 | Confident | 72.3 | Confident | 77 Ų | 77 | 55.5 Ų | 55.5 | 36% | 0.36 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.5 | -46.6 | 177.8 | -177.9 | 59.3 | -164.4 | 0 | 0 | 111.4 | F83 Y89 K90 R91 | F83-E87 WeakPolarHBondContact O-CB 3.48Å; F83-E87 PolarHBondContact O-N 3.13Å; E87-Y89 VanDerWaalsContact C-N 3.35Å; E87-Y89 PolarHBondContact O-N 2.76Å; E87-K90 PolarHBondContact O-N 3.44Å; E87-R91 WeakPolarHBondContact O-CG 3.5Å; E87-R91 PolarHBondContact O-N 3.3Å; E87-R91 IonicContact OE1-CZ 3.59Å; E87-R91 IonicContact OE1-NE 2.78Å; E87-R91 PolarHBondContact OE1-NE 3.18Å; E87-R91 IonicContact OE1-NH2 3.2Å; E87-R91 PolarHBondContact OE1-NH2 3.28Å |
| 88 | L | 82.6 | Confident | 75.1 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.3 | -44.6 | 176.2 | -175.4 | 59.2 | 0 | 0 | 0 | 111.8 | W21 L24 V49 Y52 V84 G85 K90 R91 L92 L140 | W21-L88 HydrophobicContact CE3-CD1 3.56Å; W21-L88 HydrophobicContact CZ3-CD1 3.59Å; L24-L88 HydrophobicContact CD2-CD1 3.8Å; V49-L88 HydrophobicContact CG1-CD2 4.17Å; Y52-L88 HydrophobicContact CD1-CB 3.87Å; Y52-L88 HydrophobicContact CD1-CD1 4.2Å; Y52-L88 HydrophobicContact CD1-CD2 3.86Å; Y52-L88 HydrophobicContact CD1-CG 4.19Å; Y52-L88 HydrophobicContact CE1-CB 3.68Å; Y52-L88 HydrophobicContact CE1-CD1 4.17Å; Y52-L88 HydrophobicContact CE1-CD2 4.48Å; Y52-L88 HydrophobicContact CE1-CG 4.32Å; Y52-L88 HydrophobicContact CG-CD1 4.45Å; Y52-L88 HydrophobicContact CG-CD2 4.24Å; V84-L88 PolarHBondContact O-N 3.44Å; V84-L88 VanDerWaalsContact O-N 3.12Å; G85-L88 PolarHBondContact O-N 3.02Å; L88-K90 PolarHBondContact O-N 2.92Å; L88-R91 PolarHBondContact O-N 2.78Å; L88-L92 HydrophobicContact CG-CD1 4.21Å; L88-L92 VanDerWaalsContact O-CG 3.3Å; L88-L92 WeakPolarHBondContact O-CG 3.34Å; L88-L92 PolarHBondContact O-N 3.42Å; L88-L140 HydrophobicContact CD2-CD1 4.41Å; L88-L140 HydrophobicContact CD2-CD2 4.22Å; L88-L140 HydrophobicContact CG-CD2 4.41Å |
| 89 | Y | 85.8 | Confident | 77.5 | Confident | 9 Ų | 9 | 53.6 Ų | 53.6 | 4% | 0.035 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 178.3 | -174.9 | -94 | 0 | 0 | 0 | 112.4 | G85 L86 E87 L92 K93 W144 V145 I156 Y157 I159 L162 | G85-Y89 WeakPolarHBondContact O-CB 3.37Å; G85-Y89 PolarHBondContact O-N 3.16Å; L86-Y89 PolarHBondContact O-N 2.84Å; E87-Y89 VanDerWaalsContact C-N 3.35Å; E87-Y89 PolarHBondContact O-N 2.76Å; Y89-L92 PolarHBondContact O-N 3.49Å; Y89-K93 WeakPolarHBondContact O-CB 3.3Å; Y89-K93 PolarHBondContact O-N 3.04Å; Y89-W144 HydrophobicContact CD1-CH2 4.19Å; Y89-W144 HydrophobicContact CD1-CZ3 4.18Å; Y89-W144 HydrophobicContact CD2-CE3 4.47Å; Y89-W144 HydrophobicContact CD2-CH2 4.45Å; Y89-W144 AromaticContact CD2-CZ3 3.65Å; Y89-W144 HydrophobicContact CD2-CZ3 3.65Å; Y89-W144 HydrophobicContact CE2-CZ3 4.37Å; Y89-W144 AromaticContact CG-CH2 3.91Å; Y89-W144 HydrophobicContact CG-CH2 3.91Å; Y89-W144 AromaticContact CG-CZ3 3.53Å; Y89-W144 HydrophobicContact CG-CZ3 3.53Å; Y89-V145 HydrophobicContact CD2-CG2 4.45Å; Y89-V145 HydrophobicContact CE2-CG2 4.47Å; Y89-I156 HydrophobicContact CE2-CG2 4.42Å; Y89-Y157 VanDerWaalsContact CE2-O 3.29Å; Y89-Y157 WeakPolarHBondContact CE2-O 3.3Å; Y89-Y157 PolarHBondContact OH-N 3.34Å; Y89-Y157 PolarHBondContact OH-O 2.79Å; Y89-I159 HydrophobicContact CD2-CD1 3.74Å; Y89-I159 HydrophobicContact CE2-CD1 3.85Å; Y89-L162 HydrophobicContact CD2-CD2 4.38Å; Y89-L162 HydrophobicContact CE1-CD2 4.34Å; Y89-L162 HydrophobicContact CE2-CD2 3.78Å |
| 90 | K | 85.8 | Confident | 79.7 | Confident | 117 Ų | 117 | 51.3 Ų | 51.3 | 51% | 0.509 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 174.2 | -77.6 | -179.9 | 179.6 | 179.3 | 0 | 112 | L86 E87 L88 L92 K93 E94 | L86-K90 WeakPolarHBondContact O-CG 3.27Å; L86-K90 PolarHBondContact O-N 3.37Å; E87-K90 PolarHBondContact O-N 3.44Å; L88-K90 PolarHBondContact O-N 2.92Å; K90-L92 VanDerWaalsContact C-N 3.33Å; K90-L92 PolarHBondContact O-N 3.38Å; K90-K93 WeakPolarHBondContact O-CB 3.4Å; K90-K93 PolarHBondContact O-N 3.14Å; K90-E94 WeakPolarHBondContact O-CB 3.48Å; K90-E94 PolarHBondContact O-N 3.12Å |
| 91 | R | 85.5 | Confident | 81.5 | Confident | 48 Ų | 48 | 52.6 Ų | 52.6 | 18% | 0.181 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.5 | -38.7 | 178.6 | -69.8 | -176.2 | -177 | -162.2 | -0.3 | 112 | D18 W21 E87 L88 F95 | D18-R91 IonicContact OD1-CZ 3.77Å; D18-R91 IonicContact OD1-NH1 3.75Å; D18-R91 PolarHBondContact OD1-NH1 3.01Å; D18-R91 IonicContact OD1-NH2 2.75Å; D18-R91 PolarHBondContact OD1-NH2 2.76Å; W21-R91 HydrophobicContact CD2-CB 4.08Å; W21-R91 HydrophobicContact CD2-CG 4.48Å; W21-R91 HydrophobicContact CE3-CB 4.1Å; W21-R91 VanDerWaalsContact CH2-C 3.45Å; W21-R91 HydrophobicContact CH2-CB 3.51Å; W21-R91 HydrophobicContact CZ2-CB 3.48Å; W21-R91 VanDerWaalsContact CZ2-CB 3.48Å; W21-R91 HydrophobicContact CZ2-CG 4.43Å; W21-R91 HydrophobicContact CZ3-CB 3.82Å; E87-R91 WeakPolarHBondContact O-CG 3.5Å; E87-R91 PolarHBondContact O-N 3.3Å; E87-R91 IonicContact OE1-CZ 3.59Å; E87-R91 IonicContact OE1-NE 2.78Å; E87-R91 PolarHBondContact OE1-NE 3.18Å; E87-R91 IonicContact OE1-NH2 3.2Å; E87-R91 PolarHBondContact OE1-NH2 3.28Å; L88-R91 PolarHBondContact O-N 2.78Å; R91-F95 WeakPolarHBondContact O-CB 3.47Å; R91-F95 PolarHBondContact O-N 2.68Å |
| 92 | L | 87.3 | Confident | 83.2 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.5 | -45.6 | 172.7 | -71.8 | 171.3 | 0 | 0 | 0 | 112.1 | W21 I28 L88 Y89 K90 E94 F95 L96 L133 L140 I159 | W21-L92 HydrophobicContact CH2-CD2 4Å; W21-L92 HydrophobicContact CH2-CG 4.24Å; W21-L92 HydrophobicContact CZ3-CD2 3.93Å; W21-L92 HydrophobicContact CZ3-CG 4.08Å; I28-L92 HydrophobicContact CD1-CD2 3.35Å; L88-L92 HydrophobicContact CG-CD1 4.21Å; L88-L92 VanDerWaalsContact O-CG 3.3Å; L88-L92 WeakPolarHBondContact O-CG 3.34Å; L88-L92 PolarHBondContact O-N 3.42Å; Y89-L92 PolarHBondContact O-N 3.49Å; K90-L92 VanDerWaalsContact C-N 3.33Å; K90-L92 PolarHBondContact O-N 3.38Å; L92-E94 VanDerWaalsContact C-N 3.33Å; L92-E94 PolarHBondContact O-N 3.29Å; L92-F95 PolarHBondContact O-N 3.43Å; L92-L96 WeakPolarHBondContact O-CG 3.49Å; L92-L96 PolarHBondContact O-N 2.87Å; L92-L133 HydrophobicContact CD2-CD1 4.35Å; L92-L140 HydrophobicContact CD1-CD2 3.97Å; L92-I159 HydrophobicContact CD1-CD1 3.86Å |
| 93 | K | 87.9 | Confident | 84.7 | Confident | 102 Ų | 102 | 52.6 Ų | 52.6 | 44% | 0.443 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59 | -43.8 | 176.1 | -178.2 | 171.7 | -175.8 | 175.8 | 0 | 111.9 | Y89 K90 L96 K97 L162 | Y89-K93 WeakPolarHBondContact O-CB 3.3Å; Y89-K93 PolarHBondContact O-N 3.04Å; K90-K93 WeakPolarHBondContact O-CB 3.4Å; K90-K93 PolarHBondContact O-N 3.14Å; K93-L96 PolarHBondContact O-N 3.29Å; K93-K97 WeakPolarHBondContact O-CB 3.34Å; K93-K97 PolarHBondContact O-N 3.02Å; K93-L162 HydrophobicContact CB-CD1 4.33Å; K93-L162 HydrophobicContact CB-CD2 4.08Å; K93-L162 HydrophobicContact CD-CD1 4.01Å; K93-L162 HydrophobicContact CG-CD1 4Å |
| 94 | E | 88.5 | Confident | 86.1 | Confident | 113 Ų | 113 | 47.3 Ų | 47.3 | 53% | 0.528 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -67.6 | -39.6 | 179 | -170.3 | 170.6 | -166.3 | 0 | 0 | 112.1 | K90 L92 K97 N98 | K90-E94 WeakPolarHBondContact O-CB 3.48Å; K90-E94 PolarHBondContact O-N 3.12Å; L92-E94 VanDerWaalsContact C-N 3.33Å; L92-E94 PolarHBondContact O-N 3.29Å; E94-K97 PolarHBondContact O-N 2.91Å; E94-N98 WeakPolarHBondContact O-CB 3.15Å; E94-N98 VanDerWaalsContact O-CG 3.25Å; E94-N98 PolarHBondContact O-N 3Å; E94-N98 PolarHBondContact O-ND2 2.91Å |
| 95 | F | 90.5 | Very high | 86.9 | Confident | 19 Ų | 19 | 53.4 Ų | 53.4 | 8% | 0.083 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.3 | -50.7 | 172.1 | 175.4 | -87.6 | 0 | 0 | 0 | 111.7 | R25 I28 Q29 Y32 R91 L92 K97 N98 Y99 | R25-F95 HydrophobicContact CG-CD2 4.13Å; R25-F95 HydrophobicContact CG-CE2 4.32Å; I28-F95 HydrophobicContact CB-CE1 4.39Å; I28-F95 HydrophobicContact CB-CZ 4.37Å; I28-F95 HydrophobicContact CG2-CD1 3.75Å; I28-F95 HydrophobicContact CG2-CE1 3.29Å; I28-F95 HydrophobicContact CG2-CE2 4.44Å; I28-F95 HydrophobicContact CG2-CZ 3.68Å; Q29-F95 HydrophobicContact CB-CE2 4.35Å; Q29-F95 HydrophobicContact CB-CZ 4.35Å; Y32-F95 AromaticContact CD2-CE1 3.97Å; Y32-F95 HydrophobicContact CD2-CE1 3.97Å; Y32-F95 HydrophobicContact CE2-CE1 4.33Å; Y32-F95 HydrophobicContact CG-CE1 4.33Å; R91-F95 WeakPolarHBondContact O-CB 3.47Å; R91-F95 PolarHBondContact O-N 2.68Å; L92-F95 PolarHBondContact O-N 3.43Å; F95-K97 VanDerWaalsContact C-N 3.32Å; F95-K97 PolarHBondContact O-N 2.83Å; F95-N98 PolarHBondContact O-N 3.42Å; F95-Y99 WeakPolarHBondContact O-CB 3.42Å; F95-Y99 PolarHBondContact O-N 3.31Å |
| 96 | L | 90.2 | Very high | 87.4 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61 | -41.4 | 179.7 | -67 | 169.3 | 0 | 0 | 0 | 111.6 | Y32 L92 K93 L100 Y126 L133 L162 A163 T166 | Y32-L96 HydrophobicContact CE1-CD2 4.08Å; Y32-L96 HydrophobicContact CE2-CD2 4.14Å; Y32-L96 WeakPolarHBondContact OH-CD2 3.42Å; L92-L96 WeakPolarHBondContact O-CG 3.49Å; L92-L96 PolarHBondContact O-N 2.87Å; K93-L96 PolarHBondContact O-N 3.29Å; L96-L100 WeakPolarHBondContact O-CB 3.33Å; L96-L100 WeakPolarHBondContact O-CG 3.37Å; L96-L100 PolarHBondContact O-N 2.95Å; L96-Y126 HydrophobicContact CD2-CE2 4.42Å; L96-L133 HydrophobicContact CD1-CD2 4.45Å; L96-L133 HydrophobicContact CD2-CD2 4.02Å; L96-L162 HydrophobicContact CD1-CD2 4.25Å; L96-L162 HydrophobicContact CD1-CG 4.26Å; L96-A163 HydrophobicContact CD1-CB 4.24Å; L96-T166 HydrophobicContact CB-CG2 4.05Å |
| 97 | K | 90.5 | Very high | 87.4 | Confident | 118 Ų | 118 | 56 Ų | 56 | 51% | 0.513 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.3 | -46.6 | 177.4 | -171.7 | 179.4 | -178.1 | -174.9 | 0 | 111.6 | K93 E94 F95 L100 T101 T166 | K93-K97 WeakPolarHBondContact O-CB 3.34Å; K93-K97 PolarHBondContact O-N 3.02Å; E94-K97 PolarHBondContact O-N 2.91Å; F95-K97 VanDerWaalsContact C-N 3.32Å; F95-K97 PolarHBondContact O-N 2.83Å; K97-L100 PolarHBondContact O-N 3.3Å; K97-T101 WeakPolarHBondContact O-CB 3.45Å; K97-T101 PolarHBondContact O-N 2.84Å; K97-T101 PolarHBondContact O-OG1 2.89Å; K97-T166 HydrophobicContact CB-CG2 4.19Å |
| 98 | N | 89.8 | Confident | 87.5 | Confident | 85 Ų | 85 | 57 Ų | 57 | 46% | 0.455 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.2 | -41 | -179.5 | -70.2 | -13.4 | 0 | 0 | 0 | 111.8 | E94 F95 T101 S102 | E94-N98 WeakPolarHBondContact O-CB 3.15Å; E94-N98 VanDerWaalsContact O-CG 3.25Å; E94-N98 PolarHBondContact O-N 3Å; E94-N98 PolarHBondContact O-ND2 2.91Å; F95-N98 PolarHBondContact O-N 3.42Å; N98-T101 PolarHBondContact O-N 3.48Å; N98-S102 PolarHBondContact O-N 3.06Å |
| 99 | Y | 90.3 | Very high | 87.7 | Confident | 58 Ų | 58 | 64.3 Ų | 64.3 | 23% | 0.227 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.6 | -51.6 | 174.3 | 178.3 | -94.2 | 0 | 0 | 0 | 111.3 | Y32 F95 T101 S102 L103 Y126 | Y32-Y99 AromaticContact CD1-CD1 3.99Å; Y32-Y99 HydrophobicContact CD1-CD1 3.99Å; Y32-Y99 AromaticContact CD1-CE1 3.79Å; Y32-Y99 HydrophobicContact CD1-CE1 3.79Å; Y32-Y99 HydrophobicContact CD1-CE2 4.37Å; Y32-Y99 HydrophobicContact CD1-CG 4.38Å; Y32-Y99 AromaticContact CD1-CZ 3.99Å; Y32-Y99 PolarHBondContact O-OH 3.17Å; F95-Y99 WeakPolarHBondContact O-CB 3.42Å; F95-Y99 PolarHBondContact O-N 3.31Å; Y99-T101 PolarHBondContact O-N 3.44Å; Y99-S102 PolarHBondContact O-N 3.41Å; Y99-L103 HydrophobicContact CE1-CD2 4.16Å; Y99-L103 WeakPolarHBondContact O-CB 3.37Å; Y99-L103 PolarHBondContact O-N 3.3Å; Y99-Y126 HydrophobicContact CD1-CD2 4.22Å; Y99-Y126 HydrophobicContact CD1-CE2 4.17Å; Y99-Y126 AromaticContact CE1-CD2 3.98Å; Y99-Y126 HydrophobicContact CE1-CD2 3.98Å; Y99-Y126 HydrophobicContact CE1-CE2 4.39Å |
| 100 | L | 90.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.7 | -34 | -178.8 | -70.9 | 171.4 | 0 | 0 | 0 | 113.4 | L96 K97 S102 L103 L104 Y126 T166 W167 C170 | L96-L100 WeakPolarHBondContact O-CB 3.33Å; L96-L100 WeakPolarHBondContact O-CG 3.37Å; L96-L100 PolarHBondContact O-N 2.95Å; K97-L100 PolarHBondContact O-N 3.3Å; L100-S102 VanDerWaalsContact C-N 3.32Å; L100-L103 HydrophobicContact CD2-CD2 4.28Å; L100-L103 PolarHBondContact O-N 2.93Å; L100-L104 WeakPolarHBondContact O-CB 3.4Å; L100-L104 PolarHBondContact O-N 2.81Å; L100-Y126 HydrophobicContact CD1-CE2 3.91Å; L100-Y126 WeakPolarHBondContact CD1-OH 3.2Å; L100-Y126 HydrophobicContact CD2-CD2 3.8Å; L100-Y126 HydrophobicContact CD2-CE2 3.59Å; L100-Y126 HydrophobicContact CG-CD2 4.49Å; L100-Y126 HydrophobicContact CG-CE2 3.8Å; L100-T166 VanDerWaalsContact CD1-C 3.49Å; L100-T166 HydrophobicContact CD1-CG2 3.76Å; L100-W167 HydrophobicContact CD1-CB 4.38Å; L100-W167 HydrophobicContact CD2-CE3 3.58Å; L100-W167 HydrophobicContact CD2-CZ3 3.94Å; L100-C170 HydrophobicContact CB-CB 3.75Å; L100-C170 HydrophobicContact CD1-CB 4.28Å |
| 101 | T | 89.3 | Confident | 87.8 | Confident | 63 Ų | 63 | 65.6 Ų | 65.6 | 39% | 0.387 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.9 | -35.1 | 175.8 | -52.2 | 0 | 0 | 0 | 0 | 111.3 | K97 N98 Y99 | K97-T101 WeakPolarHBondContact O-CB 3.45Å; K97-T101 PolarHBondContact O-N 2.84Å; K97-T101 PolarHBondContact O-OG1 2.89Å; N98-T101 PolarHBondContact O-N 3.48Å; Y99-T101 PolarHBondContact O-N 3.44Å |
| 102 | S | 88.7 | Confident | 87.8 | Confident | 74 Ų | 74 | 66.8 Ų | 66.8 | 52% | 0.517 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.2 | -44.3 | 171.7 | -169 | 0 | 0 | 0 | 0 | 110.9 | N98 Y99 L100 L104 K105 | N98-S102 PolarHBondContact O-N 3.06Å; Y99-S102 PolarHBondContact O-N 3.41Å; L100-S102 VanDerWaalsContact C-N 3.32Å; S102-L104 VanDerWaalsContact C-N 3.33Å; S102-L104 PolarHBondContact O-N 2.69Å; S102-K105 WeakPolarHBondContact O-CB 3.46Å; S102-K105 PolarHBondContact O-N 2.95Å |
| 103 | L | 88.9 | Confident | 87.8 | Confident | 14 Ų | 14 | 69.8 Ų | 69.8 | 7% | 0.073 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.1 | -35.3 | -178.8 | -172.9 | 64.3 | 0 | 0 | 0 | 112.8 | Y99 L100 K105 D106 F118 Q122 L171 | Y99-L103 HydrophobicContact CE1-CD2 4.16Å; Y99-L103 WeakPolarHBondContact O-CB 3.37Å; Y99-L103 PolarHBondContact O-N 3.3Å; L100-L103 HydrophobicContact CD2-CD2 4.28Å; L100-L103 PolarHBondContact O-N 2.93Å; L103-K105 PolarHBondContact O-N 3.47Å; L103-D106 PolarHBondContact O-N 3.43Å; L103-D106 VanDerWaalsContact O-N 3.15Å; L103-F118 HydrophobicContact CD1-CE2 4.32Å; L103-F118 HydrophobicContact CD1-CZ 4.08Å; L103-F118 HydrophobicContact CG-CZ 4.14Å; L103-F118 WeakPolarHBondContact O-CZ 3.31Å; L103-Q122 HydrophobicContact CD1-CG 4.07Å; L103-Q122 HydrophobicContact CD2-CB 4.1Å; L103-Q122 HydrophobicContact CD2-CG 4.1Å; L103-Q122 HydrophobicContact CG-CG 4.38Å; L103-L171 HydrophobicContact CD2-CD2 4.47Å; L103-L171 HydrophobicContact CG-CD1 4.43Å |
| 104 | L | 88.6 | Confident | 87.9 | Confident | 19 Ų | 19 | 68.6 Ų | 68.6 | 10% | 0.099 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -56.5 | -39.5 | 177.5 | -179.2 | 64.6 | 0 | 0 | 0 | 112 | L100 S102 D106 G107 E108 L171 P174 L175 | L100-L104 WeakPolarHBondContact O-CB 3.4Å; L100-L104 PolarHBondContact O-N 2.81Å; S102-L104 VanDerWaalsContact C-N 3.33Å; S102-L104 PolarHBondContact O-N 2.69Å; L104-D106 PolarHBondContact O-N 3.04Å; L104-G107 PolarHBondContact O-N 3.41Å; L104-E108 HydrophobicContact CD1-CG 4.18Å; L104-E108 WeakPolarHBondContact CD2-OE1 3.14Å; L104-E108 HydrophobicContact CG-CG 3.94Å; L104-E108 PolarHBondContact O-N 2.99Å; L104-L171 HydrophobicContact CB-CD1 3.89Å; L104-L171 HydrophobicContact CD1-CD1 4.01Å; L104-P174 HydrophobicContact CD1-CB 3.84Å; L104-P174 HydrophobicContact CD1-CG 4.31Å; L104-P174 HydrophobicContact CD2-CB 4.06Å; L104-P174 HydrophobicContact CD2-CG 3.97Å; L104-L175 HydrophobicContact CD1-CD1 3.98Å; L104-L175 HydrophobicContact CD1-CD2 3.99Å; L104-L175 HydrophobicContact CD1-CG 3.72Å |
| 105 | K | 88.3 | Confident | 88 | Confident | 148 Ų | 148 | 63.2 Ų | 63.2 | 64% | 0.643 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60.3 | -30 | -179.9 | -64.7 | -178.8 | 178.6 | -177.4 | 0 | 113.1 | S102 L103 G107 | S102-K105 WeakPolarHBondContact O-CB 3.46Å; S102-K105 PolarHBondContact O-N 2.95Å; L103-K105 PolarHBondContact O-N 3.47Å; K105-G107 PolarHBondContact O-N 3.32Å |
| 106 | D | 84.7 | Confident | 88 | Confident | 110 Ų | 110 | 62.3 Ų | 62.3 | 59% | 0.588 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -12.6 | 178.8 | -58.6 | -29.7 | 0 | 0 | 0 | 112.2 | L103 L104 F118 | L103-D106 PolarHBondContact O-N 3.43Å; L103-D106 VanDerWaalsContact O-N 3.15Å; L104-D106 PolarHBondContact O-N 3.04Å; D106-F118 HydrophobicContact CB-CE2 4.08Å; D106-F118 HydrophobicContact CB-CZ 4.26Å |
| 107 | G | 81.1 | Confident | 88.1 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118 | -12.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | L104 K105 D109 L110 | L104-G107 PolarHBondContact O-N 3.41Å; K105-G107 PolarHBondContact O-N 3.32Å; G107-D109 VanDerWaalsContact C-N 3.3Å; G107-D109 PolarHBondContact O-N 3.11Å; G107-L110 PolarHBondContact O-N 3.12Å |
| 108 | E | 83.3 | Confident | 88.2 | Confident | 97 Ų | 97 | 63 Ų | 63 | 45% | 0.453 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -35.3 | -173.2 | -88.6 | 175.1 | -178.1 | 0 | 0 | 114.2 | L104 Q178 | L104-E108 HydrophobicContact CD1-CG 4.18Å; L104-E108 WeakPolarHBondContact CD2-OE1 3.14Å; L104-E108 HydrophobicContact CG-CG 3.94Å; L104-E108 PolarHBondContact O-N 2.99Å; E108-Q178 PolarHBondContact O-NE2 3.36Å |
| 109 | D | 86.1 | Confident | 88.3 | Confident | 155 Ų | 155 | 58.9 Ų | 58.9 | 83% | 0.829 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -2.1 | -177.7 | -65.7 | -38.7 | 0 | 0 | 0 | 113.6 | G107 | G107-D109 VanDerWaalsContact C-N 3.3Å; G107-D109 PolarHBondContact O-N 3.11Å |
| 110 | L | 88.6 | Confident | 88.3 | Confident | 54 Ų | 54 | 56.8 Ų | 56.8 | 28% | 0.283 | 30% | 0.296 | S | S | . | . | trans | -78.2 | 141 | -179.1 | -63.1 | -179.9 | 0 | 0 | 0 | 111 | G107 C114 V115 F118 | G107-L110 PolarHBondContact O-N 3.12Å; L110-C114 HydrophobicContact CD2-CB 4.41Å; L110-V115 HydrophobicContact CB-CB 3.9Å; L110-V115 HydrophobicContact CB-CG2 4.25Å; L110-F118 HydrophobicContact CD1-CB 3.54Å; L110-F118 HydrophobicContact CD1-CD1 4.2Å; L110-F118 HydrophobicContact CD1-CD2 4.02Å; L110-F118 HydrophobicContact CD1-CG 3.66Å | ||
| 111 | M | 85.7 | Confident | 88.4 | Confident | 98 Ų | 98 | 61 Ų | 61 | 48% | 0.483 | 32% | 0.316 | S | S | . | . | trans | -132.4 | 163 | 179.9 | -69.3 | -64.5 | -75.9 | 0 | 0 | 112 | E113 C114 V115 Q178 | M111-E113 PolarHBondContact O-N 3.33Å; M111-C114 WeakPolarHBondContact O-CB 3.38Å; M111-C114 PolarHBondContact O-N 3.37Å; M111-V115 PolarHBondContact O-N 3.14Å; M111-Q178 HydrophobicContact SD-CB 4.43Å; M111-Q178 HydrophobicContact SD-CG 4.09Å | ||
| 112 | D | 85.9 | Confident | 88.5 | Confident | 74 Ų | 74 | 59.8 Ų | 59.8 | 40% | 0.396 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | 49.7 | -131.6 | 175.7 | -57.3 | -54.6 | 0 | 0 | 0 | 113.4 | C114 V115 L116 A182 K185 | D112-C114 PolarHBondContact O-N 3.36Å; D112-V115 WeakPolarHBondContact O-CG1 3.39Å; D112-V115 PolarHBondContact O-N 3.42Å; D112-L116 PolarHBondContact O-N 2.93Å; D112-A182 WeakPolarHBondContact O-CB 3.29Å; D112-K185 WeakPolarHBondContact OD1-CD 3.49Å; D112-K185 IonicContact OD1-NZ 2.62Å; D112-K185 PolarHBondContact OD1-NZ 2.88Å |
| 113 | E | 87.4 | Confident | 88.6 | Confident | 63 Ų | 63 | 56.4 Ų | 56.4 | 29% | 0.294 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.3 | -25.3 | -174.8 | -158.8 | -175.5 | 142 | 0 | 0 | 113.2 | M111 L116 K117 L200 | M111-E113 PolarHBondContact O-N 3.33Å; E113-L116 PolarHBondContact O-N 2.77Å; E113-K117 WeakPolarHBondContact O-CG 3.43Å; E113-K117 PolarHBondContact O-N 2.88Å; E113-K117 WeakPolarHBondContact OE1-CE 3.04Å; E113-K117 IonicContact OE1-NZ 2.74Å; E113-K117 PolarHBondContact OE1-NZ 2.92Å; E113-L200 HydrophobicContact CG-CD1 3.73Å |
| 114 | C | 88.3 | Confident | 88.7 | Confident | 77 Ų | 77 | 61.2 Ų | 61.2 | 52% | 0.52 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.9 | -42.5 | 177.7 | -65.5 | 0 | 0 | 0 | 0 | 111.4 | L110 M111 D112 L116 K117 F118 | L110-C114 HydrophobicContact CD2-CB 4.41Å; M111-C114 WeakPolarHBondContact O-CB 3.38Å; M111-C114 PolarHBondContact O-N 3.37Å; D112-C114 PolarHBondContact O-N 3.36Å; C114-L116 VanDerWaalsContact C-N 3.29Å; C114-L116 PolarHBondContact O-N 3.4Å; C114-K117 PolarHBondContact O-N 2.88Å; C114-F118 WeakPolarHBondContact O-CB 3.08Å; C114-F118 PolarHBondContact O-N 2.86Å |
| 115 | V | 91.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.8 | -33.5 | 176.2 | 72.1 | 0 | 0 | 0 | 0 | 111.4 | L110 M111 D112 Y119 V179 A182 | L110-V115 HydrophobicContact CB-CB 3.9Å; L110-V115 HydrophobicContact CB-CG2 4.25Å; M111-V115 PolarHBondContact O-N 3.14Å; D112-V115 WeakPolarHBondContact O-CG1 3.39Å; D112-V115 PolarHBondContact O-N 3.42Å; V115-Y119 WeakPolarHBondContact O-CB 3.49Å; V115-Y119 PolarHBondContact O-N 3.33Å; V115-V179 HydrophobicContact CG2-CG2 3.97Å; V115-A182 HydrophobicContact CG1-CB 3.97Å |
| 116 | L | 90.7 | Very high | 89 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.8 | -45.5 | 176.2 | -62.7 | 179.3 | 0 | 0 | 0 | 112.4 | D112 E113 C114 F118 Y119 T120 V179 A182 V183 L186 L200 V204 | D112-L116 PolarHBondContact O-N 2.93Å; E113-L116 PolarHBondContact O-N 2.77Å; C114-L116 VanDerWaalsContact C-N 3.29Å; C114-L116 PolarHBondContact O-N 3.4Å; L116-F118 VanDerWaalsContact C-N 3.34Å; L116-Y119 PolarHBondContact O-N 2.87Å; L116-T120 WeakPolarHBondContact O-CB 3.44Å; L116-T120 WeakPolarHBondContact O-CG2 3.48Å; L116-T120 PolarHBondContact O-N 3.46Å; L116-T120 PolarHBondContact O-OG1 3.12Å; L116-V179 HydrophobicContact CD2-CG1 3.98Å; L116-A182 HydrophobicContact CD1-CB 3.89Å; L116-A182 HydrophobicContact CD2-CB 3.86Å; L116-A182 HydrophobicContact CG-CB 3.71Å; L116-V183 HydrophobicContact CD1-CG2 4.39Å; L116-V183 HydrophobicContact CD2-CG2 3.57Å; L116-L186 HydrophobicContact CD1-CD1 3.32Å; L116-L186 HydrophobicContact CD1-CG 4.09Å; L116-L200 HydrophobicContact CB-CB 4.39Å; L116-L200 HydrophobicContact CB-CD1 4.37Å; L116-V204 HydrophobicContact CD2-CG2 3.98Å |
| 117 | K | 91.8 | Very high | 89.3 | Confident | 103 Ų | 103 | 52.4 Ų | 52.4 | 45% | 0.448 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.9 | -44.9 | 175.7 | -76.5 | 172.6 | -177.8 | 160.1 | 0 | 111.3 | E113 C114 T120 Q121 L200 | E113-K117 WeakPolarHBondContact O-CG 3.43Å; E113-K117 PolarHBondContact O-N 2.88Å; E113-K117 WeakPolarHBondContact OE1-CE 3.04Å; E113-K117 IonicContact OE1-NZ 2.74Å; E113-K117 PolarHBondContact OE1-NZ 2.92Å; C114-K117 PolarHBondContact O-N 2.88Å; K117-T120 PolarHBondContact O-OG1 2.98Å; K117-Q121 WeakPolarHBondContact O-CB 3.42Å; K117-Q121 PolarHBondContact O-N 3.06Å; K117-Q121 VanDerWaalsContact O-N 3.09Å; K117-L200 HydrophobicContact CG-CD1 4.08Å; K117-L200 HydrophobicContact CG-CD2 3.87Å |
| 118 | F | 92.4 | Very high | 89.7 | Confident | 30 Ų | 30 | 58.4 Ų | 58.4 | 13% | 0.132 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60 | -55.9 | 175.1 | 174.8 | -98.6 | 0 | 0 | 0 | 111 | L103 D106 L110 C114 L116 T120 Q121 Q122 L175 | L103-F118 HydrophobicContact CD1-CE2 4.32Å; L103-F118 HydrophobicContact CD1-CZ 4.08Å; L103-F118 HydrophobicContact CG-CZ 4.14Å; L103-F118 WeakPolarHBondContact O-CZ 3.31Å; D106-F118 HydrophobicContact CB-CE2 4.08Å; D106-F118 HydrophobicContact CB-CZ 4.26Å; L110-F118 HydrophobicContact CD1-CB 3.54Å; L110-F118 HydrophobicContact CD1-CD1 4.2Å; L110-F118 HydrophobicContact CD1-CD2 4.02Å; L110-F118 HydrophobicContact CD1-CG 3.66Å; C114-F118 WeakPolarHBondContact O-CB 3.08Å; C114-F118 PolarHBondContact O-N 2.86Å; L116-F118 VanDerWaalsContact C-N 3.34Å; F118-T120 PolarHBondContact O-N 3.2Å; F118-Q121 PolarHBondContact O-N 3.38Å; F118-Q122 HydrophobicContact CD1-CG 4.47Å; F118-Q122 HydrophobicContact CD2-CG 3.99Å; F118-Q122 HydrophobicContact CE1-CG 4.23Å; F118-Q122 HydrophobicContact CE2-CG 3.73Å; F118-Q122 HydrophobicContact CG-CG 4.36Å; F118-Q122 HydrophobicContact CZ-CG 3.86Å; F118-Q122 WeakPolarHBondContact O-CB 3.44Å; F118-Q122 WeakPolarHBondContact O-CG 3.35Å; F118-Q122 PolarHBondContact O-N 2.95Å; F118-L175 HydrophobicContact CE1-CD1 4.4Å |
| 119 | Y | 92.4 | Very high | 90 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.7 | -44.2 | -175.9 | -175.4 | -88.9 | 0 | 0 | 0 | 112.5 | V115 L116 W123 W167 L171 V179 V204 S207 Y208 | V115-Y119 WeakPolarHBondContact O-CB 3.49Å; V115-Y119 PolarHBondContact O-N 3.33Å; L116-Y119 PolarHBondContact O-N 2.87Å; Y119-W123 WeakPolarHBondContact O-CB 3.33Å; Y119-W123 PolarHBondContact O-N 3.37Å; Y119-W167 HydrophobicContact CD2-CZ2 4.18Å; Y119-W167 HydrophobicContact CE1-CZ2 4.46Å; Y119-W167 AromaticContact CE2-CZ2 3.72Å; Y119-W167 HydrophobicContact CE2-CZ2 3.72Å; Y119-W167 AromaticContact CE2-NE1 3.83Å; Y119-W167 AromaticContact CZ-CZ2 3.87Å; Y119-W167 AromaticContact CZ-NE1 3.62Å; Y119-W167 PolarHBondContact OH-NE1 2.95Å; Y119-L171 HydrophobicContact CD2-CD2 4.46Å; Y119-L171 HydrophobicContact CE2-CD2 4.49Å; Y119-V179 HydrophobicContact CD1-CG1 4.29Å; Y119-V179 HydrophobicContact CD2-CG2 3.99Å; Y119-V179 HydrophobicContact CG-CG1 4.38Å; Y119-V179 HydrophobicContact CG-CG2 4.04Å; Y119-V204 HydrophobicContact CD1-CG2 4.04Å; Y119-S207 PolarHBondContact OH-OG 3.41Å; Y119-Y208 HydrophobicContact CE1-CE1 4.4Å |
| 120 | T | 91.2 | Very high | 90.2 | Very high | 13 Ų | 13 | 46.5 Ų | 46.5 | 8% | 0.08 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68 | -45 | -179.7 | 50.4 | 0 | 0 | 0 | 0 | 112.5 | L116 K117 F118 W123 E124 L200 V204 | L116-T120 WeakPolarHBondContact O-CB 3.44Å; L116-T120 WeakPolarHBondContact O-CG2 3.48Å; L116-T120 PolarHBondContact O-N 3.46Å; L116-T120 PolarHBondContact O-OG1 3.12Å; K117-T120 PolarHBondContact O-OG1 2.98Å; F118-T120 PolarHBondContact O-N 3.2Å; T120-W123 PolarHBondContact O-N 3.35Å; T120-E124 WeakPolarHBondContact O-CG 3.34Å; T120-E124 PolarHBondContact O-N 2.92Å; T120-L200 HydrophobicContact CG2-CD2 4.49Å; T120-L200 WeakPolarHBondContact CG2-O 3.07Å; T120-V204 HydrophobicContact CG2-CG2 3.78Å |
| 121 | Q | 91.1 | Very high | 90.2 | Very high | 89 Ų | 89 | 48.4 Ų | 48.4 | 42% | 0.416 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.9 | -49.1 | 176 | -177.6 | 62.1 | 45.9 | 0 | 0 | 111 | K117 F118 W123 E124 D125 | K117-Q121 WeakPolarHBondContact O-CB 3.42Å; K117-Q121 PolarHBondContact O-N 3.06Å; K117-Q121 VanDerWaalsContact O-N 3.09Å; F118-Q121 PolarHBondContact O-N 3.38Å; Q121-W123 VanDerWaalsContact C-N 3.28Å; Q121-W123 PolarHBondContact O-N 3.41Å; Q121-E124 PolarHBondContact O-N 3.48Å; Q121-D125 PolarHBondContact NE2-OD1 3.28Å; Q121-D125 PolarHBondContact NE2-OD2 3.27Å; Q121-D125 WeakPolarHBondContact O-CB 3.4Å; Q121-D125 PolarHBondContact O-N 3.2Å |
| 122 | Q | 91.3 | Very high | 90.4 | Very high | 38 Ų | 38 | 45.5 Ų | 45.5 | 18% | 0.178 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.3 | -35.7 | 179.2 | -67.5 | -49.7 | -40.6 | 0 | 0 | 111.8 | L103 F118 Y126 W167 | L103-Q122 HydrophobicContact CD1-CG 4.07Å; L103-Q122 HydrophobicContact CD2-CB 4.1Å; L103-Q122 HydrophobicContact CD2-CG 4.1Å; L103-Q122 HydrophobicContact CG-CG 4.38Å; F118-Q122 HydrophobicContact CD1-CG 4.47Å; F118-Q122 HydrophobicContact CD2-CG 3.99Å; F118-Q122 HydrophobicContact CE1-CG 4.23Å; F118-Q122 HydrophobicContact CE2-CG 3.73Å; F118-Q122 HydrophobicContact CG-CG 4.36Å; F118-Q122 HydrophobicContact CZ-CG 3.86Å; F118-Q122 WeakPolarHBondContact O-CB 3.44Å; F118-Q122 WeakPolarHBondContact O-CG 3.35Å; F118-Q122 PolarHBondContact O-N 2.95Å; Q122-Y126 WeakPolarHBondContact O-CB 3.12Å; Q122-Y126 PolarHBondContact O-N 2.71Å; Q122-W167 HydrophobicContact CB-CH2 3.92Å |
| 123 | W | 92.6 | Very high | 90.5 | Very high | 3 Ų | 3 | 42 Ų | 42 | 1% | 0.011 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.1 | -47.1 | 175.7 | 173.1 | -114.3 | 0 | 0 | 0 | 111.9 | Y119 T120 Q121 D125 Y126 R127 L164 W167 E210 L211 | Y119-W123 WeakPolarHBondContact O-CB 3.33Å; Y119-W123 PolarHBondContact O-N 3.37Å; T120-W123 PolarHBondContact O-N 3.35Å; Q121-W123 VanDerWaalsContact C-N 3.28Å; Q121-W123 PolarHBondContact O-N 3.41Å; W123-D125 VanDerWaalsContact C-N 3.35Å; W123-D125 PolarHBondContact O-N 3.36Å; W123-Y126 PolarHBondContact O-N 3.46Å; W123-R127 WeakPolarHBondContact O-CB 3.45Å; W123-R127 PolarHBondContact O-N 3.34Å; W123-L164 HydrophobicContact CH2-CD2 3.46Å; W123-L164 VanDerWaalsContact CH2-CD2 3.46Å; W123-L164 HydrophobicContact CZ2-CD2 4.37Å; W123-L164 HydrophobicContact CZ3-CD2 4.1Å; W123-W167 VanDerWaalsContact CA-CH2 3.46Å; W123-W167 HydrophobicContact CB-CH2 3.99Å; W123-W167 HydrophobicContact CB-CZ2 3.78Å; W123-W167 HydrophobicContact CD2-CZ2 4.36Å; W123-W167 AromaticContact CE3-CD1 3.97Å; W123-W167 AromaticContact CE3-CD2 3.64Å; W123-W167 HydrophobicContact CE3-CD2 3.64Å; W123-W167 AromaticContact CE3-CE2 3.36Å; W123-W167 HydrophobicContact CE3-CE3 4.19Å; W123-W167 HydrophobicContact CE3-CG 4.01Å; W123-W167 HydrophobicContact CE3-CH2 4.22Å; W123-W167 AromaticContact CE3-CZ2 3.66Å; W123-W167 HydrophobicContact CE3-CZ2 3.66Å; W123-W167 HydrophobicContact CE3-CZ3 4.47Å; W123-W167 AromaticContact CE3-NE1 3.57Å; W123-W167 HydrophobicContact CG-CZ2 4.46Å; W123-W167 HydrophobicContact CZ3-CB 4.35Å; W123-W167 AromaticContact CZ3-CD1 3.63Å; W123-W167 AromaticContact CZ3-CD2 3.82Å; W123-W167 HydrophobicContact CZ3-CD2 3.82Å; W123-W167 AromaticContact CZ3-CE2 3.85Å; W123-W167 AromaticContact CZ3-CG 3.68Å; W123-W167 HydrophobicContact CZ3-CG 3.68Å; W123-W167 AromaticContact CZ3-NE1 3.72Å; W123-E210 HydrophobicContact CH2-CB 4.45Å; W123-E210 HydrophobicContact CZ2-CB 3.96Å; W123-L211 HydrophobicContact CH2-CD2 3.95Å; W123-L211 HydrophobicContact CH2-CG 4.06Å; W123-L211 HydrophobicContact CZ3-CD2 4.03Å; W123-L211 HydrophobicContact CZ3-CG 4.38Å |
| 124 | E | 90.6 | Very high | 90.5 | Very high | 114 Ų | 114 | 40.4 Ų | 40.4 | 53% | 0.533 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.3 | -46.2 | 177.6 | -74.5 | -174.2 | 177.7 | 0 | 0 | 111.6 | T120 Q121 F128 | T120-E124 WeakPolarHBondContact O-CG 3.34Å; T120-E124 PolarHBondContact O-N 2.92Å; Q121-E124 PolarHBondContact O-N 3.48Å; E124-F128 WeakPolarHBondContact O-CB 3.47Å; E124-F128 PolarHBondContact O-N 2.82Å |
| 125 | D | 91 | Very high | 90.4 | Very high | 24 Ų | 24 | 37.7 Ų | 37.7 | 13% | 0.128 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.4 | -44.1 | -179.9 | -71.7 | -26.9 | 0 | 0 | 0 | 111.8 | R34 Q121 W123 S129 | R34-D125 VanDerWaalsContact CD-OD1 3.27Å; R34-D125 WeakPolarHBondContact CD-OD1 3.47Å; R34-D125 IonicContact CZ-OD1 3.4Å; R34-D125 IonicContact NE-OD1 3.51Å; R34-D125 IonicContact NH1-OD1 2.73Å; R34-D125 PolarHBondContact NH1-OD1 3.09Å; Q121-D125 PolarHBondContact NE2-OD1 3.28Å; Q121-D125 PolarHBondContact NE2-OD2 3.27Å; Q121-D125 WeakPolarHBondContact O-CB 3.4Å; Q121-D125 PolarHBondContact O-N 3.2Å; W123-D125 VanDerWaalsContact C-N 3.35Å; W123-D125 PolarHBondContact O-N 3.36Å; D125-S129 VanDerWaalsContact O-CB 3.26Å; D125-S129 WeakPolarHBondContact O-CB 3.36Å; D125-S129 PolarHBondContact O-N 3.47Å; D125-S129 PolarHBondContact O-OG 2.91Å |
| 126 | Y | 91.7 | Very high | 90.2 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65 | -48.6 | 176.6 | -173.3 | -96.7 | 0 | 0 | 0 | 111.1 | Y32 L96 Y99 L100 Q122 W123 F128 S129 S130 A163 W167 | Y32-Y126 HydrophobicContact CD1-CD2 4.07Å; Y32-Y126 HydrophobicContact CD1-CE2 4.25Å; Y32-Y126 AromaticContact CE1-CD2 3.5Å; Y32-Y126 HydrophobicContact CE1-CD2 3.5Å; Y32-Y126 AromaticContact CE1-CE2 3.45Å; Y32-Y126 HydrophobicContact CE1-CE2 3.45Å; Y32-Y126 VanDerWaalsContact CE1-CE2 3.45Å; Y32-Y126 HydrophobicContact CE1-CG 4.39Å; L96-Y126 HydrophobicContact CD2-CE2 4.42Å; Y99-Y126 HydrophobicContact CD1-CD2 4.22Å; Y99-Y126 HydrophobicContact CD1-CE2 4.17Å; Y99-Y126 AromaticContact CE1-CD2 3.98Å; Y99-Y126 HydrophobicContact CE1-CD2 3.98Å; Y99-Y126 HydrophobicContact CE1-CE2 4.39Å; L100-Y126 HydrophobicContact CD1-CE2 3.91Å; L100-Y126 WeakPolarHBondContact CD1-OH 3.2Å; L100-Y126 HydrophobicContact CD2-CD2 3.8Å; L100-Y126 HydrophobicContact CD2-CE2 3.59Å; L100-Y126 HydrophobicContact CG-CD2 4.49Å; L100-Y126 HydrophobicContact CG-CE2 3.8Å; Q122-Y126 WeakPolarHBondContact O-CB 3.12Å; Q122-Y126 PolarHBondContact O-N 2.71Å; W123-Y126 PolarHBondContact O-N 3.46Å; Y126-F128 VanDerWaalsContact C-N 3.34Å; Y126-F128 PolarHBondContact O-N 2.94Å; Y126-S129 PolarHBondContact O-N 3.07Å; Y126-S130 WeakPolarHBondContact CE1-OG 3.3Å; Y126-S130 WeakPolarHBondContact O-CB 3.29Å; Y126-S130 PolarHBondContact O-N 2.98Å; Y126-S130 PolarHBondContact O-OG 3.38Å; Y126-A163 HydrophobicContact CE1-CB 3.95Å; Y126-A163 WeakPolarHBondContact CE1-O 3.42Å; Y126-A163 WeakPolarHBondContact OH-CA 3.3Å; Y126-A163 PolarHBondContact OH-O 2.67Å; Y126-W167 VanDerWaalsContact CB-CZ3 3.48Å; Y126-W167 HydrophobicContact CD1-CB 4.39Å; Y126-W167 HydrophobicContact CD1-CD2 4.16Å; Y126-W167 AromaticContact CD1-CE3 3.38Å; Y126-W167 HydrophobicContact CD1-CE3 3.38Å; Y126-W167 HydrophobicContact CD1-CZ3 4Å; Y126-W167 HydrophobicContact CD2-CE3 4.03Å; Y126-W167 HydrophobicContact CD2-CZ3 4.2Å; Y126-W167 HydrophobicContact CE1-CB 3.92Å; Y126-W167 AromaticContact CE1-CE3 3.9Å; Y126-W167 HydrophobicContact CE1-CE3 3.9Å; Y126-W167 HydrophobicContact CE2-CE3 4.48Å; Y126-W167 AromaticContact CG-CE3 3.47Å; Y126-W167 HydrophobicContact CG-CE3 3.47Å; Y126-W167 VanDerWaalsContact CG-CE3 3.47Å; Y126-W167 AromaticContact CG-CZ3 3.64Å; Y126-W167 HydrophobicContact CG-CZ3 3.64Å |
| 127 | R | 90.4 | Very high | 90.1 | Very high | 66 Ų | 66 | 37.7 Ų | 37.7 | 25% | 0.249 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.7 | -44.8 | 178.8 | -178.7 | -177.6 | 180 | -113.6 | 9.3 | 111.9 | W123 K131 E210 | W123-R127 WeakPolarHBondContact O-CB 3.45Å; W123-R127 PolarHBondContact O-N 3.34Å; R127-K131 VanDerWaalsContact CZ-NZ 3.27Å; R127-K131 VanDerWaalsContact NH2-NZ 3.18Å; R127-K131 WeakPolarHBondContact O-CG 3.21Å; R127-K131 PolarHBondContact O-N 2.87Å; R127-K131 VanDerWaalsContact O-N 3.14Å; R127-E210 IonicContact CZ-OE1 3.65Å; R127-E210 IonicContact CZ-OE2 3.21Å; R127-E210 VanDerWaalsContact NE-CD 3.31Å; R127-E210 IonicContact NE-OE1 3.88Å; R127-E210 PolarHBondContact NE-OE1 3.28Å; R127-E210 IonicContact NE-OE2 3.08Å; R127-E210 PolarHBondContact NE-OE2 3.4Å; R127-E210 IonicContact NH2-OE1 2.67Å; R127-E210 PolarHBondContact NH2-OE1 3.2Å; R127-E210 IonicContact NH2-OE2 3.31Å |
| 128 | F | 89.5 | Confident | 89.8 | Confident | 126 Ų | 126 | 34.7 Ų | 34.7 | 55% | 0.553 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -62.3 | -51.4 | 175.1 | 177.7 | -95.5 | 0 | 0 | 0 | 111.1 | E124 Y126 S130 K131 V132 | E124-F128 WeakPolarHBondContact O-CB 3.47Å; E124-F128 PolarHBondContact O-N 2.82Å; Y126-F128 VanDerWaalsContact C-N 3.34Å; Y126-F128 PolarHBondContact O-N 2.94Å; F128-S130 VanDerWaalsContact C-N 3.29Å; F128-S130 PolarHBondContact O-N 2.94Å; F128-K131 PolarHBondContact O-N 2.86Å; F128-K131 VanDerWaalsContact O-N 3.12Å; F128-V132 HydrophobicContact CD1-CG2 4.36Å; F128-V132 HydrophobicContact CE1-CG2 3.93Å; F128-V132 HydrophobicContact CZ-CG2 4.05Å; F128-V132 PolarHBondContact O-N 3.23Å; F128-V132 VanDerWaalsContact O-N 3.11Å |
| 129 | S | 91.1 | Very high | 89.4 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.007 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.4 | -39.1 | -179.5 | -59.2 | 0 | 0 | 0 | 0 | 112.2 | V31 D125 Y126 V132 L133 | V31-S129 PolarHBondContact O-OG 3.44Å; D125-S129 VanDerWaalsContact O-CB 3.26Å; D125-S129 WeakPolarHBondContact O-CB 3.36Å; D125-S129 PolarHBondContact O-N 3.47Å; D125-S129 PolarHBondContact O-OG 2.91Å; Y126-S129 PolarHBondContact O-N 3.07Å; S129-V132 PolarHBondContact O-N 3.3Å; S129-L133 WeakPolarHBondContact O-CB 3.46Å; S129-L133 PolarHBondContact O-N 3.2Å |
| 130 | S | 90.3 | Very high | 88.9 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.007 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69 | -33.7 | 176.9 | -60 | 0 | 0 | 0 | 0 | 113.1 | Y32 Y126 F128 L133 N134 A163 | Y32-S130 WeakPolarHBondContact OH-CA 3.48Å; Y32-S130 PolarHBondContact OH-OG 3.3Å; Y126-S130 WeakPolarHBondContact CE1-OG 3.3Å; Y126-S130 WeakPolarHBondContact O-CB 3.29Å; Y126-S130 PolarHBondContact O-N 2.98Å; Y126-S130 PolarHBondContact O-OG 3.38Å; F128-S130 VanDerWaalsContact C-N 3.29Å; F128-S130 PolarHBondContact O-N 2.94Å; S130-L133 PolarHBondContact O-N 3.28Å; S130-N134 WeakPolarHBondContact O-CB 3.47Å; S130-N134 PolarHBondContact O-N 3.25Å; S130-A163 VanDerWaalsContact OG-CB 3.31Å; S130-A163 WeakPolarHBondContact OG-CB 3.4Å |
| 131 | K | 88.7 | Confident | 88.6 | Confident | 94 Ų | 94 | 35.6 Ų | 35.6 | 41% | 0.409 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -66.8 | -41.3 | 172.2 | -73.8 | 179.3 | -177.5 | 179.7 | 0 | 111.7 | R127 F128 N134 G135 Y160 | R127-K131 VanDerWaalsContact CZ-NZ 3.27Å; R127-K131 VanDerWaalsContact NH2-NZ 3.18Å; R127-K131 WeakPolarHBondContact O-CG 3.21Å; R127-K131 PolarHBondContact O-N 2.87Å; R127-K131 VanDerWaalsContact O-N 3.14Å; F128-K131 PolarHBondContact O-N 2.86Å; F128-K131 VanDerWaalsContact O-N 3.12Å; K131-N134 WeakPolarHBondContact O-CB 3.36Å; K131-N134 PolarHBondContact O-N 2.97Å; K131-G135 PolarHBondContact O-N 3.25Å; K131-Y160 HydrophobicContact CD-CE2 4.39Å; K131-Y160 WeakPolarHBondContact CE-OH 3.45Å; K131-Y160 HydrophobicContact CG-CD2 3.87Å; K131-Y160 HydrophobicContact CG-CE2 3.47Å; K131-Y160 VanDerWaalsContact CG-CE2 3.47Å |
| 132 | V | 88.1 | Confident | 88.2 | Confident | 36 Ų | 36 | 39.9 Ų | 39.9 | 22% | 0.218 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.1 | -45.5 | 174.7 | 178.3 | 0 | 0 | 0 | 0 | 110.2 | V31 Y42 F128 S129 N134 G135 I136 | V31-V132 HydrophobicContact CG1-CB 3.87Å; V31-V132 HydrophobicContact CG1-CG1 3.84Å; V31-V132 HydrophobicContact CG2-CG1 4.04Å; Y42-V132 HydrophobicContact CD2-CG1 4.42Å; Y42-V132 HydrophobicContact CE2-CG1 4.12Å; F128-V132 HydrophobicContact CD1-CG2 4.36Å; F128-V132 HydrophobicContact CE1-CG2 3.93Å; F128-V132 HydrophobicContact CZ-CG2 4.05Å; F128-V132 PolarHBondContact O-N 3.23Å; F128-V132 VanDerWaalsContact O-N 3.11Å; S129-V132 PolarHBondContact O-N 3.3Å; V132-N134 VanDerWaalsContact C-N 3.33Å; V132-N134 PolarHBondContact O-N 3.49Å; V132-G135 PolarHBondContact O-N 2.78Å; V132-G135 VanDerWaalsContact O-N 3.12Å; V132-I136 HydrophobicContact CG1-CD1 4.23Å; V132-I136 WeakPolarHBondContact O-CG1 3.45Å; V132-I136 PolarHBondContact O-N 2.94Å |
| 133 | L | 88.3 | Confident | 87.7 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.8 | -43.1 | 174.9 | -179.6 | 62.8 | 0 | 0 | 0 | 111.9 | I28 Y32 L92 L96 S129 S130 G135 I136 C137 I159 | I28-L133 HydrophobicContact CD1-CD1 3.87Å; I28-L133 HydrophobicContact CG1-CD1 3.73Å; I28-L133 HydrophobicContact CG2-CD1 4.05Å; Y32-L133 HydrophobicContact CE2-CB 4.3Å; Y32-L133 HydrophobicContact CE2-CD2 3.96Å; L92-L133 HydrophobicContact CD2-CD1 4.35Å; L96-L133 HydrophobicContact CD1-CD2 4.45Å; L96-L133 HydrophobicContact CD2-CD2 4.02Å; S129-L133 WeakPolarHBondContact O-CB 3.46Å; S129-L133 PolarHBondContact O-N 3.2Å; S130-L133 PolarHBondContact O-N 3.28Å; L133-G135 VanDerWaalsContact C-N 3.26Å; L133-G135 PolarHBondContact O-N 3.02Å; L133-I136 PolarHBondContact O-N 3.47Å; L133-C137 WeakPolarHBondContact O-CB 3.36Å; L133-C137 PolarHBondContact O-N 2.89Å; L133-I159 HydrophobicContact CD2-CG2 3.91Å; L133-I159 HydrophobicContact CG-CG2 3.79Å |
| 134 | N | 87.7 | Confident | 87.2 | Confident | 29 Ų | 29 | 43.2 Ų | 43.2 | 16% | 0.155 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.4 | -38.9 | 176.2 | -163.7 | 62.2 | 0 | 0 | 0 | 112 | S130 K131 V132 C137 A138 N141 E158 Y160 | S130-N134 WeakPolarHBondContact O-CB 3.47Å; S130-N134 PolarHBondContact O-N 3.25Å; K131-N134 WeakPolarHBondContact O-CB 3.36Å; K131-N134 PolarHBondContact O-N 2.97Å; V132-N134 VanDerWaalsContact C-N 3.33Å; V132-N134 PolarHBondContact O-N 3.49Å; N134-C137 CarbonylContact O-C 3.55Å; N134-C137 PolarHBondContact O-N 2.91Å; N134-A138 PolarHBondContact O-N 3.2Å; N134-A138 VanDerWaalsContact O-N 3.09Å; N134-N141 PolarHBondContact O-ND2 3.41Å; N134-N141 PolarHBondContact OD1-ND2 3.06Å; N134-E158 PolarHBondContact ND2-OE1 3.11Å; N134-E158 PolarHBondContact OD1-OE1 3.42Å; N134-Y160 PolarHBondContact OD1-N 2.95Å |
| 135 | G | 86.4 | Confident | 86.7 | Confident | 20 Ų | 20 | 38.1 Ų | 38.1 | 21% | 0.206 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.4 | -44.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y42 K131 V132 L133 C137 A138 | Y42-G135 WeakPolarHBondContact OH-CA 3.21Å; Y42-G135 PolarHBondContact OH-O 2.95Å; K131-G135 PolarHBondContact O-N 3.25Å; V132-G135 PolarHBondContact O-N 2.78Å; V132-G135 VanDerWaalsContact O-N 3.12Å; L133-G135 VanDerWaalsContact C-N 3.26Å; L133-G135 PolarHBondContact O-N 3.02Å; G135-C137 PolarHBondContact O-N 3.16Å; G135-A138 VanDerWaalsContact O-CB 3.3Å; G135-A138 WeakPolarHBondContact O-CB 3.46Å; G135-A138 PolarHBondContact O-N 2.99Å |
| 136 | I | 87.7 | Confident | 86 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60 | -39.5 | 175.1 | -65.9 | 169.3 | 0 | 0 | 0 | 110.1 | L24 V31 Y42 L45 Y46 V49 V132 L133 A138 | L24-I136 HydrophobicContact CD1-CG2 4.3Å; V31-I136 HydrophobicContact CG2-CD1 4.12Å; Y42-I136 HydrophobicContact CD2-CD1 4.31Å; Y42-I136 HydrophobicContact CD2-CG1 3.85Å; Y42-I136 HydrophobicContact CE2-CD1 4.27Å; Y42-I136 HydrophobicContact CE2-CG1 3.48Å; Y42-I136 VanDerWaalsContact CE2-CG1 3.48Å; Y42-I136 PolarHBondContact OH-N 3.44Å; L45-I136 HydrophobicContact CB-CG2 3.87Å; L45-I136 HydrophobicContact CD1-CD1 4.13Å; Y46-I136 WeakPolarHBondContact CD2-O 3.22Å; V49-I136 HydrophobicContact CG2-CG2 4.05Å; V132-I136 HydrophobicContact CG1-CD1 4.23Å; V132-I136 WeakPolarHBondContact O-CG1 3.45Å; V132-I136 PolarHBondContact O-N 2.94Å; L133-I136 PolarHBondContact O-N 3.47Å; I136-A138 VanDerWaalsContact C-N 3.35Å; I136-A138 PolarHBondContact O-N 3.46Å |
| 137 | C | 86.9 | Confident | 85.4 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 14.4 | 179.9 | -63 | 0 | 0 | 0 | 0 | 114.5 | L133 N134 G135 Y139 L140 N141 I159 | L133-C137 WeakPolarHBondContact O-CB 3.36Å; L133-C137 PolarHBondContact O-N 2.89Å; N134-C137 CarbonylContact O-C 3.55Å; N134-C137 PolarHBondContact O-N 2.91Å; G135-C137 PolarHBondContact O-N 3.16Å; C137-Y139 PolarHBondContact O-N 2.95Å; C137-Y139 VanDerWaalsContact O-N 3.14Å; C137-L140 HydrophobicContact CB-CB 4.43Å; C137-L140 WeakPolarHBondContact O-CA 3.44Å; C137-L140 WeakPolarHBondContact O-CB 3.42Å; C137-L140 PolarHBondContact O-N 3.35Å; C137-N141 PolarHBondContact O-N 3.01Å; C137-I159 HydrophobicContact CB-CB 4.32Å; C137-I159 HydrophobicContact CB-CG1 3.77Å; C137-I159 HydrophobicContact CB-CG2 4.4Å |
| 138 | A | 85.9 | Confident | 84.7 | Confident | 40 Ų | 40 | 47.6 Ų | 47.6 | 33% | 0.331 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.1 | -30.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y46 N134 G135 I136 R142 | Y46-A138 HydrophobicContact CE2-CB 4.19Å; N134-A138 PolarHBondContact O-N 3.2Å; N134-A138 VanDerWaalsContact O-N 3.09Å; G135-A138 VanDerWaalsContact O-CB 3.3Å; G135-A138 WeakPolarHBondContact O-CB 3.46Å; G135-A138 PolarHBondContact O-N 2.99Å; I136-A138 VanDerWaalsContact C-N 3.35Å; I136-A138 PolarHBondContact O-N 3.46Å; A138-R142 WeakPolarHBondContact O-CB 3.28Å; A138-R142 PolarHBondContact O-N 3.48Å |
| 139 | Y | 83.8 | Confident | 83.9 | Confident | 47 Ų | 47 | 42.9 Ų | 42.9 | 18% | 0.184 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.9 | -43.7 | 172.9 | -170.8 | -97 | 0 | 0 | 0 | 112.2 | Y50 C53 T54 C137 R142 H143 | Y50-Y139 AromaticContact CD2-CD1 3.99Å; Y50-Y139 HydrophobicContact CD2-CD1 3.99Å; Y50-Y139 AromaticContact CD2-CD2 3.57Å; Y50-Y139 HydrophobicContact CD2-CD2 3.57Å; Y50-Y139 AromaticContact CD2-CE1 3.86Å; Y50-Y139 HydrophobicContact CD2-CE1 3.86Å; Y50-Y139 AromaticContact CD2-CE2 3.42Å; Y50-Y139 HydrophobicContact CD2-CE2 3.42Å; Y50-Y139 VanDerWaalsContact CD2-CE2 3.42Å; Y50-Y139 AromaticContact CD2-CG 3.85Å; Y50-Y139 HydrophobicContact CD2-CG 3.85Å; Y50-Y139 AromaticContact CD2-CZ 3.57Å; Y50-Y139 HydrophobicContact CE2-CD2 4.08Å; Y50-Y139 HydrophobicContact CE2-CE1 4.26Å; Y50-Y139 AromaticContact CE2-CE2 3.47Å; Y50-Y139 HydrophobicContact CE2-CE2 3.47Å; Y50-Y139 VanDerWaalsContact CE2-CE2 3.47Å; Y50-Y139 AromaticContact CE2-CZ 3.57Å; C53-Y139 HydrophobicContact CB-CD1 3.84Å; C53-Y139 HydrophobicContact CB-CE1 3.75Å; T54-Y139 HydrophobicContact CG2-CE1 3.97Å; T54-Y139 WeakPolarHBondContact CG2-OH 3.23Å; C137-Y139 PolarHBondContact O-N 2.95Å; C137-Y139 VanDerWaalsContact O-N 3.14Å; Y139-R142 PolarHBondContact O-N 3.17Å; Y139-H143 AromaticContact CD2-CD2 3.45Å; Y139-H143 VanDerWaalsContact CD2-CD2 3.45Å; Y139-H143 WeakPolarHBondContact CD2-CD2 3.45Å; Y139-H143 AromaticContact CD2-NE2 3.83Å; Y139-H143 AromaticContact CE2-CD2 3.26Å; Y139-H143 WeakPolarHBondContact CE2-CD2 3.37Å; Y139-H143 AromaticContact CE2-NE2 3.45Å; Y139-H143 WeakPolarHBondContact CE2-NE2 3.37Å; Y139-H143 AromaticContact CG-CD2 4Å; Y139-H143 AromaticContact CZ-CD2 3.66Å; Y139-H143 PolarHBondContact O-CD2 3.43Å; Y139-H143 PolarHBondContact O-N 2.96Å; Y139-H143 VanDerWaalsContact O-N 3.1Å |
| 140 | L | 83.4 | Confident | 83 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62 | -43.8 | 175.9 | -177 | 71.7 | 0 | 0 | 0 | 110.7 | V49 L88 L92 C137 W144 V145 I159 | V49-L140 HydrophobicContact CG1-CB 4.09Å; L88-L140 HydrophobicContact CD2-CD1 4.41Å; L88-L140 HydrophobicContact CD2-CD2 4.22Å; L88-L140 HydrophobicContact CG-CD2 4.41Å; L92-L140 HydrophobicContact CD1-CD2 3.97Å; C137-L140 HydrophobicContact CB-CB 4.43Å; C137-L140 WeakPolarHBondContact O-CA 3.44Å; C137-L140 WeakPolarHBondContact O-CB 3.42Å; C137-L140 PolarHBondContact O-N 3.35Å; L140-W144 HydrophobicContact CD1-CB 3.8Å; L140-W144 HydrophobicContact CD1-CD2 4.2Å; L140-W144 HydrophobicContact CD1-CE3 4.01Å; L140-W144 HydrophobicContact CD1-CG 4.13Å; L140-W144 HydrophobicContact CG-CE3 4.41Å; L140-W144 PolarHBondContact O-N 3.17Å; L140-V145 HydrophobicContact CG-CG2 4.41Å; L140-V145 PolarHBondContact O-N 3.08Å; L140-I159 HydrophobicContact CD2-CD1 4.17Å; L140-I159 HydrophobicContact CD2-CG1 4.44Å |
| 141 | N | 84.8 | Confident | 82.2 | Confident | 15 Ų | 15 | 52.5 Ų | 52.5 | 8% | 0.08 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -59.2 | -48.8 | 175.7 | -74.8 | -25 | 0 | 0 | 0 | 112.2 | N134 C137 R146 E158 I159 | N134-N141 PolarHBondContact O-ND2 3.41Å; N134-N141 PolarHBondContact OD1-ND2 3.06Å; C137-N141 PolarHBondContact O-N 3.01Å; N141-R146 PolarHBondContact O-N 2.76Å; N141-E158 HydrophobicContact CB-CG 4.08Å; N141-E158 WeakPolarHBondContact ND2-CG 3.48Å; N141-E158 PolarHBondContact ND2-OE1 2.92Å; N141-E158 WeakPolarHBondContact OD1-CG 3.32Å; N141-I159 WeakPolarHBondContact OD1-CG1 3.46Å; N141-I159 PolarHBondContact OD1-N 3.08Å; N141-I159 VanDerWaalsContact OD1-N 3.08Å |
| 142 | R | 82.7 | Confident | 81 | Confident | 178 Ų | 178 | 50.8 Ų | 50.8 | 67% | 0.672 | 25% | 0.253 | S | S | * | . | I | π-helix | trans | -69 | -37.7 | -173.9 | -176.4 | 175.8 | -179.9 | 170 | -0.2 | 113.5 | A138 Y139 R146 | A138-R142 WeakPolarHBondContact O-CB 3.28Å; A138-R142 PolarHBondContact O-N 3.48Å; Y139-R142 PolarHBondContact O-N 3.17Å; R142-R146 WeakPolarHBondContact O-CB 3.39Å |
| 143 | H | 79.8 | Confident | 80.1 | Confident | 93 Ų | 93 | 53.5 Ų | 53.5 | 43% | 0.431 | 26% | 0.259 | S | S | . | . | I | π-helix | trans | -108.7 | -40.3 | -167.7 | -68.6 | -76.4 | 0 | 0 | 0 | 114.1 | Y139 R147 | Y139-H143 AromaticContact CD2-CD2 3.45Å; Y139-H143 VanDerWaalsContact CD2-CD2 3.45Å; Y139-H143 WeakPolarHBondContact CD2-CD2 3.45Å; Y139-H143 AromaticContact CD2-NE2 3.83Å; Y139-H143 AromaticContact CE2-CD2 3.26Å; Y139-H143 WeakPolarHBondContact CE2-CD2 3.37Å; Y139-H143 AromaticContact CE2-NE2 3.45Å; Y139-H143 WeakPolarHBondContact CE2-NE2 3.37Å; Y139-H143 AromaticContact CG-CD2 4Å; Y139-H143 AromaticContact CZ-CD2 3.66Å; Y139-H143 PolarHBondContact O-CD2 3.43Å; Y139-H143 PolarHBondContact O-N 2.96Å; Y139-H143 VanDerWaalsContact O-N 3.1Å; H143-R147 WeakPolarHBondContact O-CB 3.38Å |
| 144 | W | 82.9 | Confident | 79.1 | Confident | 19 Ų | 19 | 63.4 Ų | 63.4 | 7% | 0.072 | 30% | 0.302 | C | S | . | . | I | π-helix | trans | -95.2 | -58 | -178.3 | -176.4 | 81.8 | 0 | 0 | 0 | 111 | Q82 G85 L86 Y89 L140 R146 R147 E148 I156 | Q82-W144 PolarHBondContact O-NE1 3.18Å; G85-W144 VanDerWaalsContact C-CE2 3.49Å; L86-W144 HydrophobicContact CB-CH2 4.44Å; L86-W144 HydrophobicContact CB-CZ2 3.7Å; L86-W144 HydrophobicContact CD1-CH2 3.97Å; L86-W144 HydrophobicContact CD1-CZ2 3.86Å; L86-W144 HydrophobicContact CG-CZ2 4.4Å; Y89-W144 HydrophobicContact CD1-CH2 4.19Å; Y89-W144 HydrophobicContact CD1-CZ3 4.18Å; Y89-W144 HydrophobicContact CD2-CE3 4.47Å; Y89-W144 HydrophobicContact CD2-CH2 4.45Å; Y89-W144 AromaticContact CD2-CZ3 3.65Å; Y89-W144 HydrophobicContact CD2-CZ3 3.65Å; Y89-W144 HydrophobicContact CE2-CZ3 4.37Å; Y89-W144 AromaticContact CG-CH2 3.91Å; Y89-W144 HydrophobicContact CG-CH2 3.91Å; Y89-W144 AromaticContact CG-CZ3 3.53Å; Y89-W144 HydrophobicContact CG-CZ3 3.53Å; L140-W144 HydrophobicContact CD1-CB 3.8Å; L140-W144 HydrophobicContact CD1-CD2 4.2Å; L140-W144 HydrophobicContact CD1-CE3 4.01Å; L140-W144 HydrophobicContact CD1-CG 4.13Å; L140-W144 HydrophobicContact CG-CE3 4.41Å; L140-W144 PolarHBondContact O-N 3.17Å; W144-R146 VanDerWaalsContact C-N 3.34Å; W144-R146 PolarHBondContact O-N 2.83Å; W144-R147 WeakPolarHBondContact O-CB 3.37Å; W144-R147 PolarHBondContact O-N 2.97Å; W144-R147 VanDerWaalsContact O-N 3.13Å; W144-E148 HydrophobicContact CD2-CG 3.89Å; W144-E148 HydrophobicContact CE3-CG 4.35Å; W144-E148 HydrophobicContact CG-CG 4.32Å; W144-E148 HydrophobicContact CH2-CG 4.18Å; W144-E148 HydrophobicContact CZ2-CG 3.7Å; W144-E148 WeakPolarHBondContact CZ2-OE2 3.44Å; W144-E148 HydrophobicContact CZ3-CG 4.48Å; W144-E148 WeakPolarHBondContact O-CG 3.27Å; W144-E148 PolarHBondContact O-N 3.35Å; W144-I156 HydrophobicContact CH2-CD1 3.99Å; W144-I156 HydrophobicContact CH2-CG1 4.49Å; W144-I156 HydrophobicContact CH2-CG2 4.23Å; W144-I156 HydrophobicContact CZ2-CD1 4.48Å; W144-I156 HydrophobicContact CZ3-CG2 3.94Å |
| 145 | V | 78.9 | Confident | 78.2 | Confident | 6 Ų | 6 | 63.8 Ų | 63.8 | 4% | 0.036 | 31% | 0.313 | C | S | . | . | I | π-helix | trans | -56.2 | -48.9 | -177.7 | 176 | 0 | 0 | 0 | 0 | 110.9 | Y89 L140 R147 E148 C149 I156 Y157 | Y89-V145 HydrophobicContact CD2-CG2 4.45Å; Y89-V145 HydrophobicContact CE2-CG2 4.47Å; L140-V145 HydrophobicContact CG-CG2 4.41Å; L140-V145 PolarHBondContact O-N 3.08Å; V145-R147 VanDerWaalsContact C-N 3.32Å; V145-R147 PolarHBondContact O-N 3.37Å; V145-E148 PolarHBondContact O-N 3.1Å; V145-C149 PolarHBondContact O-N 3.43Å; V145-C149 PolarHBondContact O-SG 3.15Å; V145-I156 HydrophobicContact CG1-CG2 4.13Å; V145-Y157 WeakPolarHBondContact CG1-O 3.11Å |
| 146 | R | 77.8 | Confident | 77.9 | Confident | 142 Ų | 142 | 63.7 Ų | 63.7 | 54% | 0.536 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -56.5 | -44.8 | 179 | -170.2 | 172.9 | -174.2 | 159.6 | 3.2 | 112.8 | N141 R142 W144 E148 C149 D150 F219 | N141-R146 PolarHBondContact O-N 2.76Å; R142-R146 WeakPolarHBondContact O-CB 3.39Å; W144-R146 VanDerWaalsContact C-N 3.34Å; W144-R146 PolarHBondContact O-N 2.83Å; R146-E148 PolarHBondContact O-N 2.73Å; R146-C149 PolarHBondContact O-N 2.94Å; R146-D150 WeakPolarHBondContact O-CB 3.46Å; R146-D150 PolarHBondContact O-N 2.98Å; R146-F219 HydrophobicContact CG-CE1 4.24Å; R146-F219 HydrophobicContact CG-CZ 4.03Å |
| 147 | R | 78 | Confident | 77.5 | Confident | 150 Ų | 150 | 66 Ų | 66 | 57% | 0.566 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63.8 | -41.6 | 178.8 | -174.6 | -174.2 | -166.8 | 154 | 10.7 | 111.9 | H143 W144 V145 D150 E151 | H143-R147 WeakPolarHBondContact O-CB 3.38Å; W144-R147 WeakPolarHBondContact O-CB 3.37Å; W144-R147 PolarHBondContact O-N 2.97Å; W144-R147 VanDerWaalsContact O-N 3.13Å; V145-R147 VanDerWaalsContact C-N 3.32Å; V145-R147 PolarHBondContact O-N 3.37Å; R147-D150 PolarHBondContact O-N 2.85Å; R147-E151 IonicContact NE-OE1 3.7Å; R147-E151 PolarHBondContact NE-OE1 3.1Å; R147-E151 WeakPolarHBondContact O-CB 3.38Å; R147-E151 VanDerWaalsContact O-CG 3.28Å; R147-E151 WeakPolarHBondContact O-CG 3.29Å; R147-E151 PolarHBondContact O-N 2.91Å |
| 148 | E | 76.9 | Confident | 77.4 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -70.6 | -34.7 | -178.6 | -60.1 | -86.2 | 124.8 | 0 | 0 | 111.8 | Q82 W144 V145 R146 R153 I156 | Q82-E148 PolarHBondContact NE2-OE1 3.34Å; W144-E148 HydrophobicContact CD2-CG 3.89Å; W144-E148 HydrophobicContact CE3-CG 4.35Å; W144-E148 HydrophobicContact CG-CG 4.32Å; W144-E148 HydrophobicContact CH2-CG 4.18Å; W144-E148 HydrophobicContact CZ2-CG 3.7Å; W144-E148 WeakPolarHBondContact CZ2-OE2 3.44Å; W144-E148 HydrophobicContact CZ3-CG 4.48Å; W144-E148 WeakPolarHBondContact O-CG 3.27Å; W144-E148 PolarHBondContact O-N 3.35Å; V145-E148 PolarHBondContact O-N 3.1Å; R146-E148 PolarHBondContact O-N 2.73Å; E148-R153 PolarHBondContact O-N 2.85Å; E148-R153 IonicContact OE1-CZ 3.36Å; E148-R153 IonicContact OE1-NH1 2.77Å; E148-R153 IonicContact OE1-NH2 3.05Å; E148-R153 PolarHBondContact OE1-NH2 3.36Å; E148-R153 IonicContact OE2-CZ 2.86Å; E148-R153 IonicContact OE2-NE 2.56Å; E148-R153 IonicContact OE2-NH1 3.63Å; E148-R153 PolarHBondContact OE2-NH1 2.97Å; E148-R153 IonicContact OE2-NH2 3.1Å; E148-R153 PolarHBondContact OE2-NH2 3.14Å; E148-I156 HydrophobicContact CB-CD1 3.72Å; E148-I156 HydrophobicContact CB-CG2 4.29Å; E148-I156 HydrophobicContact CG-CD1 4.26Å |
| 149 | C | 71.3 | Confident | 77.5 | Confident | 27 Ų | 27 | 68.3 Ų | 68.3 | 18% | 0.182 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.5 | -44.4 | 170.2 | -64.8 | 0 | 0 | 0 | 0 | 111.6 | V145 R146 E151 G152 F219 | V145-C149 PolarHBondContact O-N 3.43Å; V145-C149 PolarHBondContact O-SG 3.15Å; R146-C149 PolarHBondContact O-N 2.94Å; C149-E151 VanDerWaalsContact C-N 3.25Å; C149-E151 PolarHBondContact O-N 2.87Å; C149-G152 PolarHBondContact O-N 3.43Å; C149-F219 HydrophobicContact CB-CE2 4.09Å; C149-F219 HydrophobicContact CB-CZ 4.15Å |
| 150 | D | 71.8 | Confident | 77.7 | Confident | 111 Ų | 111 | 67.9 Ų | 67.9 | 59% | 0.594 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -64.1 | -29.6 | 177.3 | -67 | -19.3 | 0 | 0 | 0 | 112.3 | R146 R147 G152 | R146-D150 WeakPolarHBondContact O-CB 3.46Å; R146-D150 PolarHBondContact O-N 2.98Å; R147-D150 PolarHBondContact O-N 2.85Å; D150-G152 PolarHBondContact O-N 3.07Å |
| 151 | E | 75.4 | Confident | 77.7 | Confident | 93 Ų | 93 | 69.2 Ų | 69.2 | 44% | 0.435 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | 2.9 | 173.5 | -73.5 | 174.4 | -170.7 | 0 | 0 | 113.5 | Q82 R147 C149 R153 | Q82-E151 PolarHBondContact NE2-OE2 3.34Å; R147-E151 IonicContact NE-OE1 3.7Å; R147-E151 PolarHBondContact NE-OE1 3.1Å; R147-E151 WeakPolarHBondContact O-CB 3.38Å; R147-E151 VanDerWaalsContact O-CG 3.28Å; R147-E151 WeakPolarHBondContact O-CG 3.29Å; R147-E151 PolarHBondContact O-N 2.91Å; C149-E151 VanDerWaalsContact C-N 3.25Å; C149-E151 PolarHBondContact O-N 2.87Å; E151-R153 IonicContact OE2-CZ 2.69Å; E151-R153 IonicContact OE2-NH2 3.5Å; E151-R153 PolarHBondContact OE2-NH2 3.31Å |
| 152 | G | 62.8 | Low | 77.8 | Confident | 59 Ų | 59 | 68.6 Ų | 68.6 | 61% | 0.608 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 16.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | C149 D150 K154 | C149-G152 PolarHBondContact O-N 3.43Å; D150-G152 PolarHBondContact O-N 3.07Å; G152-K154 PolarHBondContact O-N 2.9Å |
| 153 | R | 69.9 | Low | 78.1 | Confident | 92 Ų | 92 | 60.1 Ų | 60.1 | 35% | 0.347 | 29% | 0.293 | S | S | . | . | trans | -78.7 | 112.6 | 178.1 | -87.9 | -175.2 | -93.9 | 164.2 | 4.7 | 111.8 | E148 E151 I156 | E148-R153 PolarHBondContact O-N 2.85Å; E148-R153 IonicContact OE1-CZ 3.36Å; E148-R153 IonicContact OE1-NH1 2.77Å; E148-R153 IonicContact OE1-NH2 3.05Å; E148-R153 PolarHBondContact OE1-NH2 3.36Å; E148-R153 IonicContact OE2-CZ 2.86Å; E148-R153 IonicContact OE2-NE 2.56Å; E148-R153 IonicContact OE2-NH1 3.63Å; E148-R153 PolarHBondContact OE2-NH1 2.97Å; E148-R153 IonicContact OE2-NH2 3.1Å; E148-R153 PolarHBondContact OE2-NH2 3.14Å; E151-R153 IonicContact OE2-CZ 2.69Å; E151-R153 IonicContact OE2-NH2 3.5Å; E151-R153 PolarHBondContact OE2-NH2 3.31Å; R153-I156 HydrophobicContact CB-CD1 4.2Å | ||
| 154 | K | 66.1 | Low | 78.5 | Confident | 209 Ų | 209 | 56.1 Ų | 56.1 | 91% | 0.909 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | 140.9 | 175.9 | -60.9 | -169.9 | 177 | -168.7 | 0 | 111.3 | G152 | G152-K154 PolarHBondContact O-N 2.9Š|
| 155 | G | 68.4 | Low | 78.7 | Confident | 37 Ų | 37 | 56.2 Ų | 56.2 | 38% | 0.381 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.9 | 7.6 | 175 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 156 | I | 80.1 | Confident | 79.1 | Confident | 19 Ų | 19 | 56.3 Ų | 56.3 | 10% | 0.097 | 28% | 0.278 | C | S | . | . | trans | -105.2 | 130.8 | 168.5 | -62.6 | 171.3 | 0 | 0 | 0 | 107.9 | Y89 W144 V145 E148 R153 | Y89-I156 HydrophobicContact CE2-CG2 4.42Å; W144-I156 HydrophobicContact CH2-CD1 3.99Å; W144-I156 HydrophobicContact CH2-CG1 4.49Å; W144-I156 HydrophobicContact CH2-CG2 4.23Å; W144-I156 HydrophobicContact CZ2-CD1 4.48Å; W144-I156 HydrophobicContact CZ3-CG2 3.94Å; V145-I156 HydrophobicContact CG1-CG2 4.13Å; E148-I156 HydrophobicContact CB-CD1 3.72Å; E148-I156 HydrophobicContact CB-CG2 4.29Å; E148-I156 HydrophobicContact CG-CD1 4.26Å; R153-I156 HydrophobicContact CB-CD1 4.2Å | ||
| 157 | Y | 80.6 | Confident | 79.8 | Confident | 48 Ų | 48 | 49.5 Ų | 49.5 | 19% | 0.188 | 25% | 0.253 | C | S | . | . | trans | -131.7 | 159.7 | -174.8 | -57.8 | -78.7 | 0 | 0 | 0 | 109.6 | Y89 V145 V165 | Y89-Y157 VanDerWaalsContact CE2-O 3.29Å; Y89-Y157 WeakPolarHBondContact CE2-O 3.3Å; Y89-Y157 PolarHBondContact OH-N 3.34Å; Y89-Y157 PolarHBondContact OH-O 2.79Å; V145-Y157 WeakPolarHBondContact CG1-O 3.11Å; Y157-V165 HydrophobicContact CD2-CG2 4.24Å; Y157-V165 HydrophobicContact CE2-CG2 4.11Å | ||
| 158 | E | 85.1 | Confident | 80.3 | Confident | 89 Ų | 89 | 43.8 Ų | 43.8 | 42% | 0.416 | 23% | 0.231 | S | C | . | . | trans | -55.3 | 147.4 | 163.5 | -161.1 | -174.3 | 169.1 | 0 | 0 | 109.9 | N134 N141 Y160 S161 L162 | N134-E158 PolarHBondContact ND2-OE1 3.11Å; N134-E158 PolarHBondContact OD1-OE1 3.42Å; N141-E158 HydrophobicContact CB-CG 4.08Å; N141-E158 WeakPolarHBondContact ND2-CG 3.48Å; N141-E158 PolarHBondContact ND2-OE1 2.92Å; N141-E158 WeakPolarHBondContact OD1-CG 3.32Å; E158-Y160 PolarHBondContact O-N 2.84Å; E158-Y160 VanDerWaalsContact O-N 3.16Å; E158-S161 CarbonylContact O-C 3.53Å; E158-S161 WeakPolarHBondContact O-CA 3.41Å; E158-S161 WeakPolarHBondContact O-CB 3.41Å; E158-S161 PolarHBondContact O-N 2.99Å; E158-L162 PolarHBondContact O-N 3.21Å | ||
| 159 | I | 87.1 | Confident | 80.8 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.3 | -36.2 | -174.7 | -66.2 | -61.4 | 0 | 0 | 0 | 113.1 | Y89 L92 L133 C137 L140 N141 L162 A163 | Y89-I159 HydrophobicContact CD2-CD1 3.74Å; Y89-I159 HydrophobicContact CE2-CD1 3.85Å; L92-I159 HydrophobicContact CD1-CD1 3.86Å; L133-I159 HydrophobicContact CD2-CG2 3.91Å; L133-I159 HydrophobicContact CG-CG2 3.79Å; C137-I159 HydrophobicContact CB-CB 4.32Å; C137-I159 HydrophobicContact CB-CG1 3.77Å; C137-I159 HydrophobicContact CB-CG2 4.4Å; L140-I159 HydrophobicContact CD2-CD1 4.17Å; L140-I159 HydrophobicContact CD2-CG1 4.44Å; N141-I159 WeakPolarHBondContact OD1-CG1 3.46Å; N141-I159 PolarHBondContact OD1-N 3.08Å; N141-I159 VanDerWaalsContact OD1-N 3.08Å; I159-L162 HydrophobicContact CD1-CD2 4.1Å; I159-L162 WeakPolarHBondContact O-CB 3.29Å; I159-L162 PolarHBondContact O-N 3.44Å; I159-A163 PolarHBondContact O-N 3.17Å |
| 160 | Y | 87.1 | Confident | 81.6 | Confident | 38 Ų | 38 | 46.7 Ų | 46.7 | 15% | 0.149 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.9 | -48.3 | 172.5 | -174.1 | -112.3 | 0 | 0 | 0 | 112.1 | K131 N134 E158 L162 A163 L164 E210 | K131-Y160 HydrophobicContact CD-CE2 4.39Å; K131-Y160 WeakPolarHBondContact CE-OH 3.45Å; K131-Y160 HydrophobicContact CG-CD2 3.87Å; K131-Y160 HydrophobicContact CG-CE2 3.47Å; K131-Y160 VanDerWaalsContact CG-CE2 3.47Å; N134-Y160 PolarHBondContact OD1-N 2.95Å; E158-Y160 PolarHBondContact O-N 2.84Å; E158-Y160 VanDerWaalsContact O-N 3.16Å; Y160-L162 VanDerWaalsContact C-N 3.3Å; Y160-L162 PolarHBondContact O-N 3.37Å; Y160-A163 WeakPolarHBondContact O-CB 3.48Å; Y160-A163 PolarHBondContact O-N 3.29Å; Y160-A163 VanDerWaalsContact O-N 3.1Å; Y160-L164 HydrophobicContact CD1-CD1 3.94Å; Y160-L164 HydrophobicContact CD1-CG 4.45Å; Y160-L164 HydrophobicContact CE1-CD1 3.61Å; Y160-L164 HydrophobicContact CE1-CG 4.19Å; Y160-L164 WeakPolarHBondContact O-CG 3.41Å; Y160-L164 PolarHBondContact O-N 3.44Å; Y160-E210 PolarHBondContact OH-OE2 2.94Å |
| 161 | S | 84.8 | Confident | 82.5 | Confident | 28 Ų | 28 | 41.4 Ų | 41.4 | 20% | 0.196 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.7 | -35.9 | 176 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | E158 A163 L164 V165 | E158-S161 CarbonylContact O-C 3.53Å; E158-S161 WeakPolarHBondContact O-CA 3.41Å; E158-S161 WeakPolarHBondContact O-CB 3.41Å; E158-S161 PolarHBondContact O-N 2.99Å; S161-A163 VanDerWaalsContact C-N 3.35Å; S161-L164 PolarHBondContact O-N 2.9Å; S161-V165 WeakPolarHBondContact O-CG2 3.5Å; S161-V165 PolarHBondContact O-N 3.23Å |
| 162 | L | 86.4 | Confident | 83.2 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61 | -43.1 | 171.7 | 174.4 | 65.4 | 0 | 0 | 0 | 111.3 | Y89 K93 L96 E158 I159 Y160 V165 T166 | Y89-L162 HydrophobicContact CD2-CD2 4.38Å; Y89-L162 HydrophobicContact CE1-CD2 4.34Å; Y89-L162 HydrophobicContact CE2-CD2 3.78Å; K93-L162 HydrophobicContact CB-CD1 4.33Å; K93-L162 HydrophobicContact CB-CD2 4.08Å; K93-L162 HydrophobicContact CD-CD1 4.01Å; K93-L162 HydrophobicContact CG-CD1 4Å; L96-L162 HydrophobicContact CD1-CD2 4.25Å; L96-L162 HydrophobicContact CD1-CG 4.26Å; E158-L162 PolarHBondContact O-N 3.21Å; I159-L162 HydrophobicContact CD1-CD2 4.1Å; I159-L162 WeakPolarHBondContact O-CB 3.29Å; I159-L162 PolarHBondContact O-N 3.44Å; Y160-L162 VanDerWaalsContact C-N 3.3Å; Y160-L162 PolarHBondContact O-N 3.37Å; L162-V165 PolarHBondContact O-N 2.97Å; L162-T166 WeakPolarHBondContact O-CB 3.47Å; L162-T166 PolarHBondContact O-N 2.7Å; L162-T166 PolarHBondContact O-OG1 3.4Å |
| 163 | A | 88.3 | Confident | 84.4 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.6 | -42.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L96 Y126 S130 I159 Y160 S161 T166 W167 | L96-A163 HydrophobicContact CD1-CB 4.24Å; Y126-A163 HydrophobicContact CE1-CB 3.95Å; Y126-A163 WeakPolarHBondContact CE1-O 3.42Å; Y126-A163 WeakPolarHBondContact OH-CA 3.3Å; Y126-A163 PolarHBondContact OH-O 2.67Å; S130-A163 VanDerWaalsContact OG-CB 3.31Å; S130-A163 WeakPolarHBondContact OG-CB 3.4Å; I159-A163 PolarHBondContact O-N 3.17Å; Y160-A163 WeakPolarHBondContact O-CB 3.48Å; Y160-A163 PolarHBondContact O-N 3.29Å; Y160-A163 VanDerWaalsContact O-N 3.1Å; S161-A163 VanDerWaalsContact C-N 3.35Å; A163-T166 PolarHBondContact O-N 3.01Å; A163-W167 WeakPolarHBondContact O-CB 3.42Å; A163-W167 PolarHBondContact O-N 3.1Å |
| 164 | L | 88.1 | Confident | 85.4 | Confident | 9 Ų | 9 | 38.9 Ų | 38.9 | 5% | 0.047 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.7 | -45.6 | 174.6 | -65.2 | 177.4 | 0 | 0 | 0 | 112.6 | W123 Y160 S161 T166 W167 R168 L211 L213 | W123-L164 HydrophobicContact CH2-CD2 3.46Å; W123-L164 VanDerWaalsContact CH2-CD2 3.46Å; W123-L164 HydrophobicContact CZ2-CD2 4.37Å; W123-L164 HydrophobicContact CZ3-CD2 4.1Å; Y160-L164 HydrophobicContact CD1-CD1 3.94Å; Y160-L164 HydrophobicContact CD1-CG 4.45Å; Y160-L164 HydrophobicContact CE1-CD1 3.61Å; Y160-L164 HydrophobicContact CE1-CG 4.19Å; Y160-L164 WeakPolarHBondContact O-CG 3.41Å; Y160-L164 PolarHBondContact O-N 3.44Å; S161-L164 PolarHBondContact O-N 2.9Å; L164-T166 VanDerWaalsContact C-N 3.3Å; L164-T166 PolarHBondContact O-N 2.75Å; L164-W167 PolarHBondContact O-N 2.99Å; L164-R168 WeakPolarHBondContact O-CB 3.44Å; L164-R168 PolarHBondContact O-N 3.22Å; L164-L211 HydrophobicContact CB-CD2 4.46Å; L164-L211 HydrophobicContact CD2-CD2 4.42Å; L164-L211 WeakPolarHBondContact O-CD2 3.38Å; L164-L213 HydrophobicContact CB-CD1 4.05Å; L164-L213 HydrophobicContact CD1-CD2 3.9Å |
| 165 | V | 87.2 | Confident | 86.5 | Confident | 21 Ų | 21 | 29 Ų | 29 | 13% | 0.127 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.1 | -42.4 | 173.6 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | Y157 S161 L162 R168 E169 L213 | Y157-V165 HydrophobicContact CD2-CG2 4.24Å; Y157-V165 HydrophobicContact CE2-CG2 4.11Å; S161-V165 WeakPolarHBondContact O-CG2 3.5Å; S161-V165 PolarHBondContact O-N 3.23Å; L162-V165 PolarHBondContact O-N 2.97Å; V165-R168 WeakPolarHBondContact O-CB 3.37Å; V165-R168 PolarHBondContact O-N 3.45Å; V165-E169 HydrophobicContact CG1-CG 4.44Å; V165-E169 WeakPolarHBondContact O-CG 3.5Å; V165-E169 PolarHBondContact O-N 2.94Å; V165-L213 HydrophobicContact CG2-CD1 3.41Å; V165-L213 VanDerWaalsContact CG2-CD1 3.41Å |
| 166 | T | 88.1 | Confident | 87.5 | Confident | 8 Ų | 8 | 27.9 Ų | 27.9 | 5% | 0.049 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.6 | -39.3 | -178.4 | -47.2 | 0 | 0 | 0 | 0 | 111.2 | L96 K97 L100 L162 A163 L164 E169 C170 | L96-T166 HydrophobicContact CB-CG2 4.05Å; K97-T166 HydrophobicContact CB-CG2 4.19Å; L100-T166 VanDerWaalsContact CD1-C 3.49Å; L100-T166 HydrophobicContact CD1-CG2 3.76Å; L162-T166 WeakPolarHBondContact O-CB 3.47Å; L162-T166 PolarHBondContact O-N 2.7Å; L162-T166 PolarHBondContact O-OG1 3.4Å; A163-T166 PolarHBondContact O-N 3.01Å; L164-T166 VanDerWaalsContact C-N 3.3Å; L164-T166 PolarHBondContact O-N 2.75Å; T166-E169 PolarHBondContact O-N 3.05Å; T166-C170 VanDerWaalsContact O-CB 3.29Å; T166-C170 WeakPolarHBondContact O-CB 3.43Å; T166-C170 PolarHBondContact O-N 3.44Å; T166-C170 PolarHBondContact O-SG 2.98Å |
| 167 | W | 91.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.8 | -46.5 | 170.2 | -178.8 | -81.3 | 0 | 0 | 0 | 111.6 | L100 Y119 Q122 W123 Y126 A163 L164 E169 L171 F172 L211 | L100-W167 HydrophobicContact CD1-CB 4.38Å; L100-W167 HydrophobicContact CD2-CE3 3.58Å; L100-W167 HydrophobicContact CD2-CZ3 3.94Å; Y119-W167 HydrophobicContact CD2-CZ2 4.18Å; Y119-W167 HydrophobicContact CE1-CZ2 4.46Å; Y119-W167 AromaticContact CE2-CZ2 3.72Å; Y119-W167 HydrophobicContact CE2-CZ2 3.72Å; Y119-W167 AromaticContact CE2-NE1 3.83Å; Y119-W167 AromaticContact CZ-CZ2 3.87Å; Y119-W167 AromaticContact CZ-NE1 3.62Å; Y119-W167 PolarHBondContact OH-NE1 2.95Å; Q122-W167 HydrophobicContact CB-CH2 3.92Å; W123-W167 VanDerWaalsContact CA-CH2 3.46Å; W123-W167 HydrophobicContact CB-CH2 3.99Å; W123-W167 HydrophobicContact CB-CZ2 3.78Å; W123-W167 HydrophobicContact CD2-CZ2 4.36Å; W123-W167 AromaticContact CE3-CD1 3.97Å; W123-W167 AromaticContact CE3-CD2 3.64Å; W123-W167 HydrophobicContact CE3-CD2 3.64Å; W123-W167 AromaticContact CE3-CE2 3.36Å; W123-W167 HydrophobicContact CE3-CE3 4.19Å; W123-W167 HydrophobicContact CE3-CG 4.01Å; W123-W167 HydrophobicContact CE3-CH2 4.22Å; W123-W167 AromaticContact CE3-CZ2 3.66Å; W123-W167 HydrophobicContact CE3-CZ2 3.66Å; W123-W167 HydrophobicContact CE3-CZ3 4.47Å; W123-W167 AromaticContact CE3-NE1 3.57Å; W123-W167 HydrophobicContact CG-CZ2 4.46Å; W123-W167 HydrophobicContact CZ3-CB 4.35Å; W123-W167 AromaticContact CZ3-CD1 3.63Å; W123-W167 AromaticContact CZ3-CD2 3.82Å; W123-W167 HydrophobicContact CZ3-CD2 3.82Å; W123-W167 AromaticContact CZ3-CE2 3.85Å; W123-W167 AromaticContact CZ3-CG 3.68Å; W123-W167 HydrophobicContact CZ3-CG 3.68Å; W123-W167 AromaticContact CZ3-NE1 3.72Å; Y126-W167 VanDerWaalsContact CB-CZ3 3.48Å; Y126-W167 HydrophobicContact CD1-CB 4.39Å; Y126-W167 HydrophobicContact CD1-CD2 4.16Å; Y126-W167 AromaticContact CD1-CE3 3.38Å; Y126-W167 HydrophobicContact CD1-CE3 3.38Å; Y126-W167 HydrophobicContact CD1-CZ3 4Å; Y126-W167 HydrophobicContact CD2-CE3 4.03Å; Y126-W167 HydrophobicContact CD2-CZ3 4.2Å; Y126-W167 HydrophobicContact CE1-CB 3.92Å; Y126-W167 AromaticContact CE1-CE3 3.9Å; Y126-W167 HydrophobicContact CE1-CE3 3.9Å; Y126-W167 HydrophobicContact CE2-CE3 4.48Å; Y126-W167 AromaticContact CG-CE3 3.47Å; Y126-W167 HydrophobicContact CG-CE3 3.47Å; Y126-W167 VanDerWaalsContact CG-CE3 3.47Å; Y126-W167 AromaticContact CG-CZ3 3.64Å; Y126-W167 HydrophobicContact CG-CZ3 3.64Å; A163-W167 WeakPolarHBondContact O-CB 3.42Å; A163-W167 PolarHBondContact O-N 3.1Å; L164-W167 PolarHBondContact O-N 2.99Å; W167-E169 VanDerWaalsContact C-N 3.3Å; W167-E169 PolarHBondContact O-N 3.45Å; W167-L171 HydrophobicContact CD2-CB 4.27Å; W167-L171 HydrophobicContact CD2-CD2 4.16Å; W167-L171 HydrophobicContact CE3-CD2 4.02Å; W167-L171 HydrophobicContact CH2-CD2 3.15Å; W167-L171 HydrophobicContact CZ2-CD2 3.31Å; W167-L171 HydrophobicContact CZ3-CD2 3.53Å; W167-L171 PolarHBondContact O-N 3.32Å; W167-F172 PolarHBondContact O-N 3.3Å; W167-L211 HydrophobicContact CB-CD2 4.28Å; W167-L211 HydrophobicContact CG-CD2 4.23Å |
| 168 | R | 88.8 | Confident | 88.4 | Confident | 29 Ų | 29 | 35 Ų | 35 | 11% | 0.109 | 17% | 0.166 | C | C | . | . | I | π-helix | trans | -53.9 | -48.1 | 177.9 | -166.3 | 177.9 | 70.7 | -178.5 | 3.1 | 111.4 | L164 V165 F172 R173 L211 E215 | L164-R168 WeakPolarHBondContact O-CB 3.44Å; L164-R168 PolarHBondContact O-N 3.22Å; V165-R168 WeakPolarHBondContact O-CB 3.37Å; V165-R168 PolarHBondContact O-N 3.45Å; R168-F172 HydrophobicContact CG-CD1 4.08Å; R168-R173 WeakPolarHBondContact O-CB 3.48Å; R168-R173 WeakPolarHBondContact O-CG 3.38Å; R168-R173 PolarHBondContact O-N 2.96Å; R168-L211 HydrophobicContact CB-CD2 4.19Å; R168-E215 IonicContact CZ-OE1 3.81Å; R168-E215 IonicContact NH1-OE1 2.63Å; R168-E215 PolarHBondContact NH1-OE1 3.43Å; R168-E215 IonicContact NH2-OE1 3.41Å; R168-E215 PolarHBondContact NH2-OE1 2.88Å |
| 169 | E | 87.8 | Confident | 88.7 | Confident | 71 Ų | 71 | 30.7 Ų | 30.7 | 33% | 0.332 | 15% | 0.146 | S | C | . | . | I | π-helix | trans | -77.1 | -42 | -176.4 | -65.8 | -58.3 | 141.9 | 0 | 0 | 113.7 | V165 T166 W167 R173 | V165-E169 HydrophobicContact CG1-CG 4.44Å; V165-E169 WeakPolarHBondContact O-CG 3.5Å; V165-E169 PolarHBondContact O-N 2.94Å; T166-E169 PolarHBondContact O-N 3.05Å; W167-E169 VanDerWaalsContact C-N 3.3Å; W167-E169 PolarHBondContact O-N 3.45Å; E169-R173 VanDerWaalsContact CD-NH1 3.27Å; E169-R173 IonicContact OE1-CZ 2.7Å; E169-R173 IonicContact OE1-NE 3.85Å; E169-R173 IonicContact OE1-NH1 2.79Å; E169-R173 PolarHBondContact OE1-NH1 3.48Å; E169-R173 VanDerWaalsContact OE1-NH1 3.12Å; E169-R173 IonicContact OE1-NH2 3.56Å; E169-R173 IonicContact OE2-CZ 3.05Å; E169-R173 IonicContact OE2-NE 2.72Å; E169-R173 IonicContact OE2-NH1 3.74Å; E169-R173 PolarHBondContact OE2-NH1 3.43Å |
| 170 | C | 88.9 | Confident | 89 | Confident | 18 Ų | 18 | 31.1 Ų | 31.1 | 12% | 0.122 | 15% | 0.149 | C | C | . | . | I | π-helix | trans | -96.9 | -24.5 | -167.5 | -55.1 | 0 | 0 | 0 | 0 | 114.2 | L100 T166 | L100-C170 HydrophobicContact CB-CB 3.75Å; L100-C170 HydrophobicContact CD1-CB 4.28Å; T166-C170 VanDerWaalsContact O-CB 3.29Å; T166-C170 WeakPolarHBondContact O-CB 3.43Å; T166-C170 PolarHBondContact O-N 3.44Å; T166-C170 PolarHBondContact O-SG 2.98Å |
| 171 | L | 89.4 | Confident | 89.2 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -123.1 | -48.4 | -176.8 | -153.8 | 85 | 0 | 0 | 0 | 112.6 | L103 L104 Y119 W167 P174 L175 | L103-L171 HydrophobicContact CD2-CD2 4.47Å; L103-L171 HydrophobicContact CG-CD1 4.43Å; L104-L171 HydrophobicContact CB-CD1 3.89Å; L104-L171 HydrophobicContact CD1-CD1 4.01Å; Y119-L171 HydrophobicContact CD2-CD2 4.46Å; Y119-L171 HydrophobicContact CE2-CD2 4.49Å; W167-L171 HydrophobicContact CD2-CB 4.27Å; W167-L171 HydrophobicContact CD2-CD2 4.16Å; W167-L171 HydrophobicContact CE3-CD2 4.02Å; W167-L171 HydrophobicContact CH2-CD2 3.15Å; W167-L171 HydrophobicContact CZ2-CD2 3.31Å; W167-L171 HydrophobicContact CZ3-CD2 3.53Å; W167-L171 PolarHBondContact O-N 3.32Å; L171-P174 WeakPolarHBondContact O-CD 3.36Å; L171-L175 HydrophobicContact CD1-CD1 4.39Å; L171-L175 HydrophobicContact CG-CD1 4.1Å; L171-L175 WeakPolarHBondContact O-CB 3.44Å; L171-L175 PolarHBondContact O-N 2.92Å |
| 172 | F | 90.3 | Very high | 89.6 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.009 | 16% | 0.156 | C | C | . | . | I | π-helix | trans | -65.3 | -54.5 | 179.6 | 169.1 | -92.8 | 0 | 0 | 0 | 111.9 | W167 R168 L175 N176 Y208 L211 V227 Y231 | W167-F172 PolarHBondContact O-N 3.3Å; R168-F172 HydrophobicContact CG-CD1 4.08Å; F172-L175 PolarHBondContact O-N 3.16Å; F172-N176 HydrophobicContact CD1-CB 4.46Å; F172-N176 HydrophobicContact CD2-CB 4.24Å; F172-N176 HydrophobicContact CE1-CB 4.21Å; F172-N176 HydrophobicContact CE2-CB 4Å; F172-N176 HydrophobicContact CG-CB 4.47Å; F172-N176 HydrophobicContact CZ-CB 3.96Å; F172-N176 WeakPolarHBondContact O-CA 3.48Å; F172-N176 WeakPolarHBondContact O-CB 3.14Å; F172-N176 PolarHBondContact O-N 2.77Å; F172-Y208 HydrophobicContact CD2-CD1 4.14Å; F172-Y208 AromaticContact CD2-CE1 3.78Å; F172-Y208 HydrophobicContact CD2-CE1 3.78Å; F172-Y208 AromaticContact CE2-CD1 3.65Å; F172-Y208 HydrophobicContact CE2-CD1 3.65Å; F172-Y208 HydrophobicContact CE2-CD2 4.06Å; F172-Y208 AromaticContact CE2-CE1 3.4Å; F172-Y208 HydrophobicContact CE2-CE1 3.4Å; F172-Y208 VanDerWaalsContact CE2-CE1 3.4Å; F172-Y208 AromaticContact CE2-CE2 3.83Å; F172-Y208 HydrophobicContact CE2-CE2 3.83Å; F172-Y208 AromaticContact CE2-CG 3.99Å; F172-Y208 HydrophobicContact CE2-CG 3.99Å; F172-Y208 AromaticContact CE2-CZ 3.5Å; F172-Y208 VanDerWaalsContact CE2-CZ 3.5Å; F172-Y208 HydrophobicContact CZ-CE2 4.41Å; F172-L211 HydrophobicContact CB-CD1 4.01Å; F172-L211 HydrophobicContact CD2-CD1 3.68Å; F172-L211 HydrophobicContact CE2-CD1 4.3Å; F172-L211 HydrophobicContact CG-CD1 3.85Å; F172-V227 HydrophobicContact CE1-CG1 3.84Å; F172-V227 HydrophobicContact CE2-CG1 3.98Å; F172-V227 HydrophobicContact CZ-CG1 3.39Å; F172-Y231 HydrophobicContact CE1-CD1 4.39Å; F172-Y231 HydrophobicContact CE1-CD2 4.11Å; F172-Y231 HydrophobicContact CE1-CE2 4.32Å; F172-Y231 HydrophobicContact CE1-CG 4.16Å; F172-Y231 HydrophobicContact CZ-CD1 4.26Å; F172-Y231 AromaticContact CZ-CD2 3.89Å; F172-Y231 HydrophobicContact CZ-CD2 3.89Å; F172-Y231 AromaticContact CZ-CG 3.74Å; F172-Y231 HydrophobicContact CZ-CG 3.74Å |
| 173 | R | 88.8 | Confident | 89.9 | Confident | 123 Ų | 123 | 32.2 Ų | 32.2 | 46% | 0.464 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -56.1 | -41 | -177.9 | -88 | -177.9 | 176.9 | -176.9 | -3.8 | 114.1 | R168 E169 N176 | R168-R173 WeakPolarHBondContact O-CB 3.48Å; R168-R173 WeakPolarHBondContact O-CG 3.38Å; R168-R173 PolarHBondContact O-N 2.96Å; E169-R173 VanDerWaalsContact CD-NH1 3.27Å; E169-R173 IonicContact OE1-CZ 2.7Å; E169-R173 IonicContact OE1-NE 3.85Å; E169-R173 IonicContact OE1-NH1 2.79Å; E169-R173 PolarHBondContact OE1-NH1 3.48Å; E169-R173 VanDerWaalsContact OE1-NH1 3.12Å; E169-R173 IonicContact OE1-NH2 3.56Å; E169-R173 IonicContact OE2-CZ 3.05Å; E169-R173 IonicContact OE2-NE 2.72Å; E169-R173 IonicContact OE2-NH1 3.74Å; E169-R173 PolarHBondContact OE2-NH1 3.43Å; R173-N176 PolarHBondContact O-OD1 3.43Å; R173-N176 VanDerWaalsContact O-OD1 3.08Å |
| 174 | P | 90.1 | Very high | 90.1 | Very high | 65 Ų | 65 | 32.9 Ų | 32.9 | 42% | 0.422 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -68.5 | -41.9 | 174.3 | -25.7 | 36.5 | 0 | 0 | 0 | 114.2 | L104 L171 | L104-P174 HydrophobicContact CD1-CB 3.84Å; L104-P174 HydrophobicContact CD1-CG 4.31Å; L104-P174 HydrophobicContact CD2-CB 4.06Å; L104-P174 HydrophobicContact CD2-CG 3.97Å; L171-P174 WeakPolarHBondContact O-CD 3.36Å |
| 175 | L | 89.6 | Confident | 90.3 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -95.3 | -11.8 | -171.9 | -62.2 | 179.8 | 0 | 0 | 0 | 114.5 | L104 F118 L171 F172 K177 Q178 V179 | L104-L175 HydrophobicContact CD1-CD1 3.98Å; L104-L175 HydrophobicContact CD1-CD2 3.99Å; L104-L175 HydrophobicContact CD1-CG 3.72Å; F118-L175 HydrophobicContact CE1-CD1 4.4Å; L171-L175 HydrophobicContact CD1-CD1 4.39Å; L171-L175 HydrophobicContact CG-CD1 4.1Å; L171-L175 WeakPolarHBondContact O-CB 3.44Å; L171-L175 PolarHBondContact O-N 2.92Å; F172-L175 PolarHBondContact O-N 3.16Å; L175-K177 VanDerWaalsContact C-N 3.31Å; L175-K177 PolarHBondContact O-N 3.35Å; L175-Q178 PolarHBondContact O-N 3.02Å; L175-Q178 VanDerWaalsContact O-N 3.08Å; L175-V179 HydrophobicContact CB-CG2 4.1Å; L175-V179 WeakPolarHBondContact O-CG2 3.36Å; L175-V179 PolarHBondContact O-N 3.47Å |
| 176 | N | 88.9 | Confident | 90.6 | Very high | 14 Ų | 14 | 36.5 Ų | 36.5 | 8% | 0.075 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -54 | -43.1 | -170.3 | 62 | -6.5 | 0 | 0 | 0 | 112.9 | F172 R173 Q178 V179 T180 Y208 Y231 | F172-N176 HydrophobicContact CD1-CB 4.46Å; F172-N176 HydrophobicContact CD2-CB 4.24Å; F172-N176 HydrophobicContact CE1-CB 4.21Å; F172-N176 HydrophobicContact CE2-CB 4Å; F172-N176 HydrophobicContact CG-CB 4.47Å; F172-N176 HydrophobicContact CZ-CB 3.96Å; F172-N176 WeakPolarHBondContact O-CA 3.48Å; F172-N176 WeakPolarHBondContact O-CB 3.14Å; F172-N176 PolarHBondContact O-N 2.77Å; R173-N176 PolarHBondContact O-OD1 3.43Å; R173-N176 VanDerWaalsContact O-OD1 3.08Å; N176-Q178 PolarHBondContact O-N 3.12Å; N176-V179 PolarHBondContact O-N 3.48Å; N176-T180 VanDerWaalsContact O-CB 3.24Å; N176-T180 WeakPolarHBondContact O-CB 3.45Å; N176-T180 PolarHBondContact O-N 3.39Å; N176-T180 PolarHBondContact O-OG1 2.82Å; N176-Y208 PolarHBondContact O-OH 3.08Å; N176-Y231 WeakPolarHBondContact ND2-CD1 3.36Å; N176-Y231 WeakPolarHBondContact ND2-CE1 3.26Å |
| 177 | K | 89.9 | Confident | 90.9 | Very high | 158 Ų | 158 | 36.1 Ų | 36.1 | 69% | 0.687 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -62.6 | -45.8 | 180 | -69.6 | -177.5 | -179.2 | 179.8 | 0 | 111.6 | L175 N181 | L175-K177 VanDerWaalsContact C-N 3.31Å; L175-K177 PolarHBondContact O-N 3.35Å; K177-N181 VanDerWaalsContact O-CB 3.22Å; K177-N181 WeakPolarHBondContact O-CB 3.11Å; K177-N181 PolarHBondContact O-N 3.09Å; K177-N181 PolarHBondContact O-ND2 2.97Å |
| 178 | Q | 90.6 | Very high | 90.9 | Very high | 57 Ų | 57 | 40.1 Ų | 40.1 | 27% | 0.266 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -67.1 | -43.7 | 179.5 | -63.2 | 173.8 | -12.6 | 0 | 0 | 110.8 | E108 M111 L175 N176 A182 | E108-Q178 PolarHBondContact O-NE2 3.36Å; M111-Q178 HydrophobicContact SD-CB 4.43Å; M111-Q178 HydrophobicContact SD-CG 4.09Å; L175-Q178 PolarHBondContact O-N 3.02Å; L175-Q178 VanDerWaalsContact O-N 3.08Å; N176-Q178 PolarHBondContact O-N 3.12Å; Q178-A182 WeakPolarHBondContact O-CB 3.48Å; Q178-A182 PolarHBondContact O-N 3.28Å |
| 179 | V | 91.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.6 | -51.8 | 178.5 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | V115 L116 Y119 L175 N176 N181 A182 V183 V204 Y208 | V115-V179 HydrophobicContact CG2-CG2 3.97Å; L116-V179 HydrophobicContact CD2-CG1 3.98Å; Y119-V179 HydrophobicContact CD1-CG1 4.29Å; Y119-V179 HydrophobicContact CD2-CG2 3.99Å; Y119-V179 HydrophobicContact CG-CG1 4.38Å; Y119-V179 HydrophobicContact CG-CG2 4.04Å; L175-V179 HydrophobicContact CB-CG2 4.1Å; L175-V179 WeakPolarHBondContact O-CG2 3.36Å; L175-V179 PolarHBondContact O-N 3.47Å; N176-V179 PolarHBondContact O-N 3.48Å; V179-N181 PolarHBondContact O-N 3.14Å; V179-A182 PolarHBondContact O-N 3.42Å; V179-V183 WeakPolarHBondContact O-CG2 3.45Å; V179-V183 PolarHBondContact O-N 2.87Å; V179-V204 HydrophobicContact CG1-CB 4.49Å; V179-V204 HydrophobicContact CG1-CG1 3.62Å; V179-V204 HydrophobicContact CG1-CG2 3.92Å; V179-Y208 HydrophobicContact CG1-CE1 4.35Å; V179-Y208 WeakPolarHBondContact CG1-OH 3.45Å |
| 180 | T | 92.8 | Very high | 91.3 | Very high | 8 Ų | 8 | 42.2 Ų | 42.2 | 5% | 0.049 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57 | -48.4 | 176.5 | -65 | 0 | 0 | 0 | 0 | 110.5 | N176 A182 V183 L184 Y208 Y231 F232 | N176-T180 VanDerWaalsContact O-CB 3.24Å; N176-T180 WeakPolarHBondContact O-CB 3.45Å; N176-T180 PolarHBondContact O-N 3.39Å; N176-T180 PolarHBondContact O-OG1 2.82Å; T180-A182 VanDerWaalsContact C-N 3.31Å; T180-A182 PolarHBondContact O-N 2.97Å; T180-V183 PolarHBondContact O-N 3.43Å; T180-V183 VanDerWaalsContact O-N 3.16Å; T180-L184 HydrophobicContact CG2-CD1 3.74Å; T180-L184 HydrophobicContact CG2-CG 4.21Å; T180-L184 VanDerWaalsContact O-CG 3.28Å; T180-L184 WeakPolarHBondContact O-CG 3.2Å; T180-L184 PolarHBondContact O-N 3.1Å; T180-Y208 PolarHBondContact OG1-OH 2.93Å; T180-Y208 VanDerWaalsContact OG1-OH 3.12Å; T180-Y231 WeakPolarHBondContact CG2-O 3.38Å; T180-Y231 PolarHBondContact OG1-O 3.49Å; T180-Y231 VanDerWaalsContact OG1-O 3.09Å; T180-F232 HydrophobicContact CG2-CD2 4.39Å |
| 181 | N | 91.9 | Very high | 91.5 | Very high | 89 Ų | 89 | 41.9 Ų | 41.9 | 48% | 0.476 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.2 | -38.7 | 179 | -72.5 | -15.3 | 0 | 0 | 0 | 112.5 | K177 V179 L184 K185 | K177-N181 VanDerWaalsContact O-CB 3.22Å; K177-N181 WeakPolarHBondContact O-CB 3.11Å; K177-N181 PolarHBondContact O-N 3.09Å; K177-N181 PolarHBondContact O-ND2 2.97Å; V179-N181 PolarHBondContact O-N 3.14Å; N181-L184 PolarHBondContact O-N 2.94Å; N181-K185 WeakPolarHBondContact O-CB 3.34Å; N181-K185 WeakPolarHBondContact O-CG 3.4Å; N181-K185 PolarHBondContact O-N 2.95Å |
| 182 | A | 92.2 | Very high | 91.7 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 3% | 0.025 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.4 | -40 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | D112 V115 L116 Q178 V179 T180 L186 | D112-A182 WeakPolarHBondContact O-CB 3.29Å; V115-A182 HydrophobicContact CG1-CB 3.97Å; L116-A182 HydrophobicContact CD1-CB 3.89Å; L116-A182 HydrophobicContact CD2-CB 3.86Å; L116-A182 HydrophobicContact CG-CB 3.71Å; Q178-A182 WeakPolarHBondContact O-CB 3.48Å; Q178-A182 PolarHBondContact O-N 3.28Å; V179-A182 PolarHBondContact O-N 3.42Å; T180-A182 VanDerWaalsContact C-N 3.31Å; T180-A182 PolarHBondContact O-N 2.97Å; A182-L186 PolarHBondContact O-N 3.32Å |
| 183 | V | 93.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62 | -48.3 | 173.5 | 174.3 | 0 | 0 | 0 | 0 | 110.7 | L116 V179 T180 K185 L186 I187 I201 V204 F232 | L116-V183 HydrophobicContact CD1-CG2 4.39Å; L116-V183 HydrophobicContact CD2-CG2 3.57Å; V179-V183 WeakPolarHBondContact O-CG2 3.45Å; V179-V183 PolarHBondContact O-N 2.87Å; T180-V183 PolarHBondContact O-N 3.43Å; T180-V183 VanDerWaalsContact O-N 3.16Å; V183-K185 VanDerWaalsContact C-N 3.34Å; V183-K185 PolarHBondContact O-N 2.88Å; V183-L186 WeakPolarHBondContact O-CB 3.36Å; V183-L186 PolarHBondContact O-N 3.26Å; V183-L186 VanDerWaalsContact O-N 3.11Å; V183-I187 HydrophobicContact CG1-CD1 3.91Å; V183-I187 HydrophobicContact CG1-CG1 4.43Å; V183-I187 WeakPolarHBondContact O-CG1 3.49Å; V183-I187 PolarHBondContact O-N 2.72Å; V183-I201 HydrophobicContact CG1-CB 4.45Å; V183-I201 HydrophobicContact CG1-CG1 4.19Å; V183-I201 HydrophobicContact CG1-CG2 3.78Å; V183-V204 HydrophobicContact CG2-CB 4.07Å; V183-V204 HydrophobicContact CG2-CG1 3.95Å; V183-V204 HydrophobicContact CG2-CG2 4.1Å; V183-F232 HydrophobicContact CB-CE2 4.38Å; V183-F232 HydrophobicContact CG1-CD2 4.46Å; V183-F232 HydrophobicContact CG1-CE2 3.6Å; V183-F232 HydrophobicContact CG1-CZ 4.31Å |
| 184 | L | 93.4 | Very high | 91.8 | Very high | 13 Ų | 13 | 47.8 Ų | 47.8 | 7% | 0.068 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.7 | -41.3 | -178.8 | -65.9 | 172.3 | 0 | 0 | 0 | 111.9 | T180 N181 L186 I187 E188 F232 Q235 F236 D239 | T180-L184 HydrophobicContact CG2-CD1 3.74Å; T180-L184 HydrophobicContact CG2-CG 4.21Å; T180-L184 VanDerWaalsContact O-CG 3.28Å; T180-L184 WeakPolarHBondContact O-CG 3.2Å; T180-L184 PolarHBondContact O-N 3.1Å; N181-L184 PolarHBondContact O-N 2.94Å; L184-L186 PolarHBondContact O-N 3.06Å; L184-I187 PolarHBondContact O-N 3.45Å; L184-E188 PolarHBondContact O-N 3.3Å; L184-F232 HydrophobicContact CD2-CE2 4.16Å; L184-Q235 HydrophobicContact CD1-CB 4.21Å; L184-Q235 HydrophobicContact CD1-CG 3.5Å; L184-F236 HydrophobicContact CD2-CB 3.81Å; L184-F236 HydrophobicContact CD2-CD2 3.96Å; L184-F236 HydrophobicContact CD2-CG 4.4Å; L184-D239 WeakPolarHBondContact CD1-OD2 3.39Å |
| 185 | K | 92.1 | Very high | 91.7 | Very high | 97 Ų | 97 | 51.5 Ų | 51.5 | 42% | 0.422 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.3 | -40.3 | 172.4 | -78.9 | 173.8 | 168.6 | 179.2 | 0 | 113 | D112 N181 V183 E188 R189 | D112-K185 WeakPolarHBondContact OD1-CD 3.49Å; D112-K185 IonicContact OD1-NZ 2.62Å; D112-K185 PolarHBondContact OD1-NZ 2.88Å; N181-K185 WeakPolarHBondContact O-CB 3.34Å; N181-K185 WeakPolarHBondContact O-CG 3.4Å; N181-K185 PolarHBondContact O-N 2.95Å; V183-K185 VanDerWaalsContact C-N 3.34Å; V183-K185 PolarHBondContact O-N 2.88Å; K185-E188 PolarHBondContact O-N 3.34Å; K185-R189 VanDerWaalsContact O-CG 3.3Å; K185-R189 WeakPolarHBondContact O-CG 3.48Å; K185-R189 PolarHBondContact O-N 3.05Å |
| 186 | L | 92.3 | Very high | 91.8 | Very high | 9 Ų | 9 | 52.8 Ų | 52.8 | 5% | 0.047 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64 | -42.6 | 175 | -78.7 | -175.7 | 0 | 0 | 0 | 111.3 | L116 A182 V183 L184 E188 R189 E190 I196 I201 | L116-L186 HydrophobicContact CD1-CD1 3.32Å; L116-L186 HydrophobicContact CD1-CG 4.09Å; A182-L186 PolarHBondContact O-N 3.32Å; V183-L186 WeakPolarHBondContact O-CB 3.36Å; V183-L186 PolarHBondContact O-N 3.26Å; V183-L186 VanDerWaalsContact O-N 3.11Å; L184-L186 PolarHBondContact O-N 3.06Å; L186-E188 VanDerWaalsContact C-N 3.32Å; L186-E188 PolarHBondContact O-N 3.02Å; L186-R189 PolarHBondContact O-N 3.5Å; L186-E190 PolarHBondContact O-N 2.9Å; L186-I196 HydrophobicContact CD2-CG2 4.24Å; L186-I201 HydrophobicContact CB-CD1 4.28Å |
| 187 | I | 93.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 176.4 | -62.3 | 169.4 | 0 | 0 | 0 | 110.8 | V183 L184 E190 R191 I201 F232 F236 Y278 | V183-I187 HydrophobicContact CG1-CD1 3.91Å; V183-I187 HydrophobicContact CG1-CG1 4.43Å; V183-I187 WeakPolarHBondContact O-CG1 3.49Å; V183-I187 PolarHBondContact O-N 2.72Å; L184-I187 PolarHBondContact O-N 3.45Å; I187-E190 PolarHBondContact O-N 3.31Å; I187-R191 WeakPolarHBondContact O-CG 3.24Å; I187-R191 PolarHBondContact O-N 3.47Å; I187-I201 HydrophobicContact CG1-CD1 3.77Å; I187-F232 HydrophobicContact CD1-CE2 4.45Å; I187-F232 HydrophobicContact CD1-CZ 4.13Å; I187-F236 HydrophobicContact CD1-CD2 4.05Å; I187-F236 HydrophobicContact CD1-CE2 4.02Å; I187-F236 HydrophobicContact CG2-CE2 4.16Å; I187-Y278 HydrophobicContact CD1-CE2 4.18Å; I187-Y278 HydrophobicContact CG1-CE2 4.23Å |
| 188 | E | 93.4 | Very high | 91.7 | Very high | 83 Ų | 83 | 50.2 Ų | 50.2 | 39% | 0.388 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62 | -42.8 | 175.7 | -172.7 | 175 | -170.4 | 0 | 0 | 112.1 | L184 K185 L186 E190 R191 N192 F243 | L184-E188 PolarHBondContact O-N 3.3Å; K185-E188 PolarHBondContact O-N 3.34Å; L186-E188 VanDerWaalsContact C-N 3.32Å; L186-E188 PolarHBondContact O-N 3.02Å; E188-E190 VanDerWaalsContact C-N 3.33Å; E188-E190 PolarHBondContact O-N 2.79Å; E188-R191 WeakPolarHBondContact O-CB 3.44Å; E188-R191 PolarHBondContact O-N 2.77Å; E188-N192 PolarHBondContact O-N 3.11Å; E188-N192 PolarHBondContact O-ND2 2.86Å; E188-F243 HydrophobicContact CG-CD2 4.21Å; E188-F243 HydrophobicContact CG-CE2 4.24Å |
| 189 | R | 91.9 | Very high | 91.6 | Very high | 101 Ų | 101 | 57.4 Ų | 57.4 | 38% | 0.381 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.9 | -41 | 174.4 | -71.9 | 172.8 | 67.3 | -165.5 | -2.7 | 112.1 | K185 L186 N192 G193 E194 I196 | K185-R189 VanDerWaalsContact O-CG 3.3Å; K185-R189 WeakPolarHBondContact O-CG 3.48Å; K185-R189 PolarHBondContact O-N 3.05Å; L186-R189 PolarHBondContact O-N 3.5Å; R189-N192 CarbonylContact O-C 3.52Å; R189-N192 PolarHBondContact O-N 3.17Å; R189-G193 PolarHBondContact O-N 2.78Å; R189-E194 HydrophobicContact CB-CB 4.21Å; R189-E194 HydrophobicContact CB-CG 4.45Å; R189-E194 IonicContact CZ-OE2 3.36Å; R189-E194 IonicContact NE-OE1 2.91Å; R189-E194 IonicContact NE-OE2 3.1Å; R189-E194 PolarHBondContact NE-OE2 3.5Å; R189-E194 IonicContact NH2-OE2 2.82Å; R189-E194 PolarHBondContact NH2-OE2 3.03Å; R189-E194 WeakPolarHBondContact O-CB 3.48Å; R189-E194 PolarHBondContact O-N 3.49Å; R189-I196 HydrophobicContact CB-CG2 4.39Å |
| 190 | E | 93.3 | Very high | 91.5 | Very high | 44 Ų | 44 | 58 Ų | 58 | 21% | 0.206 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.7 | -39.9 | 174.7 | -168 | -165.1 | -130.4 | 0 | 0 | 112.2 | L186 I187 E188 N192 G193 E194 I196 R274 Y278 | L186-E190 PolarHBondContact O-N 2.9Å; I187-E190 PolarHBondContact O-N 3.31Å; E188-E190 VanDerWaalsContact C-N 3.33Å; E188-E190 PolarHBondContact O-N 2.79Å; E190-N192 PolarHBondContact O-N 2.81Å; E190-G193 WeakPolarHBondContact O-CA 3.4Å; E190-G193 PolarHBondContact O-N 3.09Å; E190-E194 WeakPolarHBondContact CA-O 3.43Å; E190-I196 HydrophobicContact CB-CD1 3.72Å; E190-I196 HydrophobicContact CB-CG1 3.87Å; E190-I196 HydrophobicContact CB-CG2 4.13Å; E190-I196 HydrophobicContact CG-CD1 4.06Å; E190-I196 HydrophobicContact CG-CG1 3.94Å; E190-R274 IonicContact OE2-CZ 3.4Å; E190-R274 IonicContact OE2-NE 2.88Å; E190-R274 PolarHBondContact OE2-NE 2.68Å; E190-R274 IonicContact OE2-NH2 3.55Å; E190-Y278 PolarHBondContact OE2-OH 3.25Å; E190-Y278 VanDerWaalsContact OE2-OH 3.08Å |
| 191 | R | 92.8 | Very high | 91.5 | Very high | 10 Ų | 10 | 57.6 Ų | 57.6 | 4% | 0.038 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.9 | -31.1 | 173.6 | -73.7 | 174.4 | 173.2 | 157.2 | 3.1 | 112.5 | I187 E188 G193 T240 F243 R267 E271 | I187-R191 WeakPolarHBondContact O-CG 3.24Å; I187-R191 PolarHBondContact O-N 3.47Å; E188-R191 WeakPolarHBondContact O-CB 3.44Å; E188-R191 PolarHBondContact O-N 2.77Å; R191-G193 PolarHBondContact O-N 3.08Å; R191-T240 PolarHBondContact NH1-OG1 3.49Å; R191-T240 VanDerWaalsContact NH1-OG1 3.09Å; R191-T240 VanDerWaalsContact NH2-CG2 3.25Å; R191-T240 PolarHBondContact NH2-OG1 2.69Å; R191-F243 HydrophobicContact CB-CE1 3.94Å; R191-F243 HydrophobicContact CB-CE2 4.24Å; R191-F243 HydrophobicContact CB-CZ 3.67Å; R191-F243 HydrophobicContact CG-CE1 4.38Å; R191-R267 PolarHBondContact O-NH1 3.27Å; R191-R267 PolarHBondContact O-NH2 3.5Å; R191-E271 IonicContact CZ-OE1 3.71Å; R191-E271 IonicContact CZ-OE2 3.56Å; R191-E271 IonicContact NE-OE1 2.76Å; R191-E271 PolarHBondContact NE-OE1 3.42Å; R191-E271 IonicContact NE-OE2 2.75Å; R191-E271 VanDerWaalsContact NH2-CD 3.29Å; R191-E271 IonicContact NH2-OE1 3.41Å; R191-E271 PolarHBondContact NH2-OE1 3.5Å; R191-E271 VanDerWaalsContact NH2-OE1 3.11Å; R191-E271 IonicContact NH2-OE2 3.52Å; R191-E271 PolarHBondContact NH2-OE2 2.61Å |
| 192 | N | 92.3 | Very high | 91.4 | Very high | 100 Ų | 100 | 55.7 Ų | 55.7 | 54% | 0.535 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 2.2 | 173.8 | -64.7 | -32 | 0 | 0 | 0 | 113.6 | E188 R189 E190 | E188-N192 PolarHBondContact O-N 3.11Å; E188-N192 PolarHBondContact O-ND2 2.86Å; R189-N192 CarbonylContact O-C 3.52Å; R189-N192 PolarHBondContact O-N 3.17Å; E190-N192 PolarHBondContact O-N 2.81Å |
| 193 | G | 89.1 | Confident | 91.2 | Very high | 65 Ų | 65 | 55.9 Ų | 55.9 | 67% | 0.67 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.9 | 7.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115 | R189 E190 R191 | R189-G193 PolarHBondContact O-N 2.78Å; E190-G193 WeakPolarHBondContact O-CA 3.4Å; E190-G193 PolarHBondContact O-N 3.09Å; R191-G193 PolarHBondContact O-N 3.08Å |
| 194 | E | 92.1 | Very high | 91.1 | Very high | 85 Ų | 85 | 55.9 Ų | 55.9 | 40% | 0.397 | 29% | 0.291 | S | S | . | . | trans | -78.1 | 144.8 | 175.8 | -61.7 | -179.5 | -134 | 0 | 0 | 111.9 | R189 E190 I196 | R189-E194 HydrophobicContact CB-CB 4.21Å; R189-E194 HydrophobicContact CB-CG 4.45Å; R189-E194 IonicContact CZ-OE2 3.36Å; R189-E194 IonicContact NE-OE1 2.91Å; R189-E194 IonicContact NE-OE2 3.1Å; R189-E194 PolarHBondContact NE-OE2 3.5Å; R189-E194 IonicContact NH2-OE2 2.82Å; R189-E194 PolarHBondContact NH2-OE2 3.03Å; R189-E194 WeakPolarHBondContact O-CB 3.48Å; R189-E194 PolarHBondContact O-N 3.49Å; E190-E194 WeakPolarHBondContact CA-O 3.43Å; E194-I196 PolarHBondContact O-N 3.03Å | ||
| 195 | T | 88.4 | Confident | 91 | Very high | 143 Ų | 143 | 55.7 Ų | 55.7 | 88% | 0.877 | 29% | 0.29 | S | S | * | . | trans | -77.1 | 123.7 | 172.7 | 54.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 196 | I | 91.4 | Very high | 90.9 | Very high | 29 Ų | 29 | 55 Ų | 55 | 15% | 0.149 | 29% | 0.288 | C | S | . | . | trans | -116.5 | 160.4 | -179.8 | 61.9 | 157.9 | 0 | 0 | 0 | 112.4 | L186 R189 E190 E194 T198 I201 | L186-I196 HydrophobicContact CD2-CG2 4.24Å; R189-I196 HydrophobicContact CB-CG2 4.39Å; E190-I196 HydrophobicContact CB-CD1 3.72Å; E190-I196 HydrophobicContact CB-CG1 3.87Å; E190-I196 HydrophobicContact CB-CG2 4.13Å; E190-I196 HydrophobicContact CG-CD1 4.06Å; E190-I196 HydrophobicContact CG-CG1 3.94Å; E194-I196 PolarHBondContact O-N 3.03Å; I196-T198 HydrophobicContact CD1-CG2 4.44Å; I196-T198 HydrophobicContact CG1-CG2 4.29Å; I196-T198 PolarHBondContact O-N 3.3Å; I196-I201 HydrophobicContact CD1-CD1 3.49Å; I196-I201 VanDerWaalsContact CD1-CD1 3.49Å | ||
| 197 | N | 88.1 | Confident | 90.8 | Very high | 70 Ų | 70 | 54.5 Ų | 54.5 | 37% | 0.374 | 29% | 0.286 | S | S | . | . | trans | -85.3 | 91.4 | 172.5 | -172.1 | -9.3 | 0 | 0 | 0 | 110.7 | R199 L200 | N197-R199 PolarHBondContact O-N 3.15Å; N197-R199 VanDerWaalsContact O-N 3.14Å; N197-R199 WeakPolarHBondContact OD1-CB 3.21Å; N197-R199 PolarHBondContact OD1-N 2.91Å; N197-L200 HydrophobicContact CB-CD1 4.05Å; N197-L200 HydrophobicContact CB-CG 4.18Å; N197-L200 PolarHBondContact O-N 3.43Å; N197-L200 VanDerWaalsContact O-N 3.12Å | ||
| 198 | T | 89.4 | Confident | 90.6 | Very high | 47 Ų | 47 | 54.5 Ų | 54.5 | 29% | 0.288 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.3 | -22.4 | -178.4 | 56.9 | 0 | 0 | 0 | 0 | 113.9 | I196 L200 I201 S202 V277 Y278 | I196-T198 HydrophobicContact CD1-CG2 4.44Å; I196-T198 HydrophobicContact CG1-CG2 4.29Å; I196-T198 PolarHBondContact O-N 3.3Å; T198-L200 VanDerWaalsContact C-N 3.3Å; T198-L200 PolarHBondContact O-N 3.43Å; T198-I201 PolarHBondContact O-N 3.5Å; T198-S202 PolarHBondContact O-N 3.04Å; T198-V277 HydrophobicContact CG2-CG1 4.3Å; T198-Y278 HydrophobicContact CG2-CD1 3.97Å; T198-Y278 HydrophobicContact CG2-CE1 4.24Å |
| 199 | R | 88.9 | Confident | 90.4 | Very high | 209 Ų | 209 | 51.4 Ų | 51.4 | 79% | 0.789 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -65.4 | -33.4 | 176.8 | -61 | -176.6 | -179.1 | 173 | 1.3 | 112.4 | N197 I201 G203 | N197-R199 PolarHBondContact O-N 3.15Å; N197-R199 VanDerWaalsContact O-N 3.14Å; N197-R199 WeakPolarHBondContact OD1-CB 3.21Å; N197-R199 PolarHBondContact OD1-N 2.91Å; R199-I201 VanDerWaalsContact C-N 3.33Å; R199-G203 PolarHBondContact O-N 2.88Å |
| 200 | L | 89.3 | Confident | 90.1 | Very high | 12 Ų | 12 | 48.2 Ų | 48.2 | 6% | 0.063 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 177.3 | -63.9 | 177.6 | 0 | 0 | 0 | 110.8 | E113 L116 K117 T120 N197 T198 V204 | E113-L200 HydrophobicContact CG-CD1 3.73Å; L116-L200 HydrophobicContact CB-CB 4.39Å; L116-L200 HydrophobicContact CB-CD1 4.37Å; K117-L200 HydrophobicContact CG-CD1 4.08Å; K117-L200 HydrophobicContact CG-CD2 3.87Å; T120-L200 HydrophobicContact CG2-CD2 4.49Å; T120-L200 WeakPolarHBondContact CG2-O 3.07Å; N197-L200 HydrophobicContact CB-CD1 4.05Å; N197-L200 HydrophobicContact CB-CG 4.18Å; N197-L200 PolarHBondContact O-N 3.43Å; N197-L200 VanDerWaalsContact O-N 3.12Å; T198-L200 VanDerWaalsContact C-N 3.3Å; T198-L200 PolarHBondContact O-N 3.43Å; L200-V204 WeakPolarHBondContact O-CG2 3.47Å; L200-V204 PolarHBondContact O-N 2.94Å |
| 201 | I | 91.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.4 | -50.1 | 177.9 | -56.4 | 178.3 | 0 | 0 | 0 | 110.1 | V183 L186 I187 I196 T198 R199 G203 V204 V205 Y278 | V183-I201 HydrophobicContact CG1-CB 4.45Å; V183-I201 HydrophobicContact CG1-CG1 4.19Å; V183-I201 HydrophobicContact CG1-CG2 3.78Å; L186-I201 HydrophobicContact CB-CD1 4.28Å; I187-I201 HydrophobicContact CG1-CD1 3.77Å; I196-I201 HydrophobicContact CD1-CD1 3.49Å; I196-I201 VanDerWaalsContact CD1-CD1 3.49Å; T198-I201 PolarHBondContact O-N 3.5Å; R199-I201 VanDerWaalsContact C-N 3.33Å; I201-G203 VanDerWaalsContact C-N 3.28Å; I201-G203 PolarHBondContact O-N 3.22Å; I201-V204 PolarHBondContact O-N 3.14Å; I201-V204 VanDerWaalsContact O-N 3.15Å; I201-V205 HydrophobicContact CG2-CG2 4.14Å; I201-V205 WeakPolarHBondContact O-CG2 3.14Å; I201-V205 PolarHBondContact O-N 3.12Å; I201-Y278 HydrophobicContact CB-CD2 4.14Å; I201-Y278 HydrophobicContact CB-CG 4.29Å; I201-Y278 HydrophobicContact CD1-CD2 4.49Å; I201-Y278 HydrophobicContact CD1-CE2 4.25Å; I201-Y278 HydrophobicContact CG2-CD2 3.37Å; I201-Y278 HydrophobicContact CG2-CE2 3.86Å; I201-Y278 HydrophobicContact CG2-CG 3.98Å |
| 202 | S | 90.4 | Very high | 89.1 | Confident | 49 Ų | 49 | 45.6 Ų | 45.6 | 34% | 0.343 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -57.9 | -40.4 | 178.9 | -178.9 | 0 | 0 | 0 | 0 | 112 | T198 V205 Q206 | T198-S202 PolarHBondContact O-N 3.04Å; S202-V205 PolarHBondContact O-N 2.93Å; S202-Q206 VanDerWaalsContact O-CB 3.27Å; S202-Q206 WeakPolarHBondContact O-CB 3.37Å; S202-Q206 PolarHBondContact O-N 3.13Å |
| 203 | G | 88.9 | Confident | 88.2 | Confident | 7 Ų | 7 | 42.3 Ų | 42.3 | 7% | 0.072 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.2 | -41.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R199 I201 S207 | R199-G203 PolarHBondContact O-N 2.88Å; I201-G203 VanDerWaalsContact C-N 3.28Å; I201-G203 PolarHBondContact O-N 3.22Å; G203-S207 PolarHBondContact O-N 3.03Å |
| 204 | V | 91.1 | Very high | 87 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.9 | -46.4 | 175.2 | 176.5 | 0 | 0 | 0 | 0 | 111 | L116 Y119 T120 V179 V183 L200 I201 Q206 S207 Y208 | L116-V204 HydrophobicContact CD2-CG2 3.98Å; Y119-V204 HydrophobicContact CD1-CG2 4.04Å; T120-V204 HydrophobicContact CG2-CG2 3.78Å; V179-V204 HydrophobicContact CG1-CB 4.49Å; V179-V204 HydrophobicContact CG1-CG1 3.62Å; V179-V204 HydrophobicContact CG1-CG2 3.92Å; V183-V204 HydrophobicContact CG2-CB 4.07Å; V183-V204 HydrophobicContact CG2-CG1 3.95Å; V183-V204 HydrophobicContact CG2-CG2 4.1Å; L200-V204 WeakPolarHBondContact O-CG2 3.47Å; L200-V204 PolarHBondContact O-N 2.94Å; I201-V204 PolarHBondContact O-N 3.14Å; I201-V204 VanDerWaalsContact O-N 3.15Å; V204-Q206 VanDerWaalsContact C-N 3.33Å; V204-Q206 PolarHBondContact O-N 3.22Å; V204-S207 WeakPolarHBondContact O-CA 3.36Å; V204-S207 VanDerWaalsContact O-CB 3.3Å; V204-S207 WeakPolarHBondContact O-CB 3.4Å; V204-S207 PolarHBondContact O-N 3.43Å; V204-S207 VanDerWaalsContact O-N 3.1Å; V204-Y208 HydrophobicContact CG1-CD1 3.79Å; V204-Y208 HydrophobicContact CG1-CE1 3.35Å; V204-Y208 HydrophobicContact CG1-CE2 4.46Å; V204-Y208 WeakPolarHBondContact O-CD1 3.43Å; V204-Y208 PolarHBondContact O-N 3.09Å |
| 205 | V | 91.1 | Very high | 85.5 | Confident | 9 Ų | 9 | 43.7 Ų | 43.7 | 6% | 0.055 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.6 | -45 | 178.2 | 168.6 | 0 | 0 | 0 | 0 | 110.8 | I201 S202 S207 Y208 V209 Y228 F232 L279 | I201-V205 HydrophobicContact CG2-CG2 4.14Å; I201-V205 WeakPolarHBondContact O-CG2 3.14Å; I201-V205 PolarHBondContact O-N 3.12Å; S202-V205 PolarHBondContact O-N 2.93Å; V205-S207 VanDerWaalsContact C-N 3.3Å; V205-S207 PolarHBondContact O-N 3.31Å; V205-Y208 PolarHBondContact O-N 3.14Å; V205-Y208 VanDerWaalsContact O-N 3.14Å; V205-V209 HydrophobicContact CG1-CG2 4.43Å; V205-V209 WeakPolarHBondContact O-CG2 3.49Å; V205-V209 PolarHBondContact O-N 3.41Å; V205-Y228 HydrophobicContact CG1-CD2 4.14Å; V205-Y228 HydrophobicContact CG1-CE2 3.69Å; V205-Y228 HydrophobicContact CG2-CE2 4.29Å; V205-F232 HydrophobicContact CG2-CE1 4.45Å; V205-L279 HydrophobicContact CG2-CD2 4.37Å |
| 206 | Q | 88.9 | Confident | 83.9 | Confident | 81 Ų | 81 | 46.4 Ų | 46.4 | 38% | 0.379 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60 | -40.8 | 175.3 | -178.7 | 172.8 | 11.3 | 0 | 0 | 111.7 | S202 V204 E210 | S202-Q206 VanDerWaalsContact O-CB 3.27Å; S202-Q206 WeakPolarHBondContact O-CB 3.37Å; S202-Q206 PolarHBondContact O-N 3.13Å; V204-Q206 VanDerWaalsContact C-N 3.33Å; V204-Q206 PolarHBondContact O-N 3.22Å; Q206-E210 HydrophobicContact CG-CG 4.44Å; Q206-E210 PolarHBondContact NE2-OE1 3.25Å; Q206-E210 WeakPolarHBondContact O-CB 3.37Å; Q206-E210 WeakPolarHBondContact O-CG 3.49Å; Q206-E210 PolarHBondContact O-N 3.48Å |
| 207 | S | 90.6 | Very high | 82.3 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.9 | -47.5 | 173.6 | -177.9 | 0 | 0 | 0 | 0 | 111.3 | Y119 G203 V204 V205 V209 E210 L211 | Y119-S207 PolarHBondContact OH-OG 3.41Å; G203-S207 PolarHBondContact O-N 3.03Å; V204-S207 WeakPolarHBondContact O-CA 3.36Å; V204-S207 VanDerWaalsContact O-CB 3.3Å; V204-S207 WeakPolarHBondContact O-CB 3.4Å; V204-S207 PolarHBondContact O-N 3.43Å; V204-S207 VanDerWaalsContact O-N 3.1Å; V205-S207 VanDerWaalsContact C-N 3.3Å; V205-S207 PolarHBondContact O-N 3.31Å; S207-V209 VanDerWaalsContact C-N 3.32Å; S207-V209 PolarHBondContact O-N 3.39Å; S207-E210 PolarHBondContact O-N 3.26Å; S207-L211 WeakPolarHBondContact O-CB 3.38Å; S207-L211 WeakPolarHBondContact O-CD1 3.37Å; S207-L211 WeakPolarHBondContact O-CG 3.37Å; S207-L211 PolarHBondContact O-N 3.26Å |
| 208 | Y | 90.2 | Very high | 80.6 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.2 | -35.6 | -175.8 | -76.2 | 33.3 | 0 | 0 | 0 | 111.8 | Y119 F172 N176 V179 T180 V204 V205 V227 F232 | Y119-Y208 HydrophobicContact CE1-CE1 4.4Å; F172-Y208 HydrophobicContact CD2-CD1 4.14Å; F172-Y208 AromaticContact CD2-CE1 3.78Å; F172-Y208 HydrophobicContact CD2-CE1 3.78Å; F172-Y208 AromaticContact CE2-CD1 3.65Å; F172-Y208 HydrophobicContact CE2-CD1 3.65Å; F172-Y208 HydrophobicContact CE2-CD2 4.06Å; F172-Y208 AromaticContact CE2-CE1 3.4Å; F172-Y208 HydrophobicContact CE2-CE1 3.4Å; F172-Y208 VanDerWaalsContact CE2-CE1 3.4Å; F172-Y208 AromaticContact CE2-CE2 3.83Å; F172-Y208 HydrophobicContact CE2-CE2 3.83Å; F172-Y208 AromaticContact CE2-CG 3.99Å; F172-Y208 HydrophobicContact CE2-CG 3.99Å; F172-Y208 AromaticContact CE2-CZ 3.5Å; F172-Y208 VanDerWaalsContact CE2-CZ 3.5Å; F172-Y208 HydrophobicContact CZ-CE2 4.41Å; N176-Y208 PolarHBondContact O-OH 3.08Å; V179-Y208 HydrophobicContact CG1-CE1 4.35Å; V179-Y208 WeakPolarHBondContact CG1-OH 3.45Å; T180-Y208 PolarHBondContact OG1-OH 2.93Å; T180-Y208 VanDerWaalsContact OG1-OH 3.12Å; V204-Y208 HydrophobicContact CG1-CD1 3.79Å; V204-Y208 HydrophobicContact CG1-CE1 3.35Å; V204-Y208 HydrophobicContact CG1-CE2 4.46Å; V204-Y208 WeakPolarHBondContact O-CD1 3.43Å; V204-Y208 PolarHBondContact O-N 3.09Å; V205-Y208 PolarHBondContact O-N 3.14Å; V205-Y208 VanDerWaalsContact O-N 3.14Å; Y208-V227 WeakPolarHBondContact O-CB 3.03Å; Y208-F232 HydrophobicContact CD2-CB 3.73Å; Y208-F232 HydrophobicContact CE2-CB 3.98Å |
| 209 | V | 88.3 | Confident | 78.8 | Confident | 19 Ų | 19 | 51.9 Ų | 51.9 | 12% | 0.115 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67 | -51.6 | 172.7 | 172.6 | 0 | 0 | 0 | 0 | 110.3 | V205 S207 L211 G212 P223 L225 Y228 H280 | V205-V209 HydrophobicContact CG1-CG2 4.43Å; V205-V209 WeakPolarHBondContact O-CG2 3.49Å; V205-V209 PolarHBondContact O-N 3.41Å; S207-V209 VanDerWaalsContact C-N 3.32Å; S207-V209 PolarHBondContact O-N 3.39Å; V209-L211 VanDerWaalsContact C-N 3.26Å; V209-L211 PolarHBondContact O-N 3.01Å; V209-G212 PolarHBondContact O-N 2.87Å; V209-P223 HydrophobicContact CG1-CB 4.29Å; V209-P223 HydrophobicContact CG1-CG 3.8Å; V209-P223 WeakPolarHBondContact O-CB 3.13Å; V209-L225 HydrophobicContact CG1-CD2 4.05Å; V209-L225 HydrophobicContact CG2-CD2 4.2Å; V209-Y228 HydrophobicContact CG2-CD2 4.03Å; V209-Y228 HydrophobicContact CG2-CG 4.05Å; V209-H280 HydrophobicContact CG2-CB 4.43Å |
| 210 | E | 86.6 | Confident | 77.3 | Confident | 33 Ų | 33 | 43.8 Ų | 43.8 | 15% | 0.154 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.1 | -23.8 | -177.9 | -73.7 | -170.7 | -153.8 | 0 | 0 | 114.1 | W123 R127 Y160 Q206 S207 G212 | W123-E210 HydrophobicContact CH2-CB 4.45Å; W123-E210 HydrophobicContact CZ2-CB 3.96Å; R127-E210 IonicContact CZ-OE1 3.65Å; R127-E210 IonicContact CZ-OE2 3.21Å; R127-E210 VanDerWaalsContact NE-CD 3.31Å; R127-E210 IonicContact NE-OE1 3.88Å; R127-E210 PolarHBondContact NE-OE1 3.28Å; R127-E210 IonicContact NE-OE2 3.08Å; R127-E210 PolarHBondContact NE-OE2 3.4Å; R127-E210 IonicContact NH2-OE1 2.67Å; R127-E210 PolarHBondContact NH2-OE1 3.2Å; R127-E210 IonicContact NH2-OE2 3.31Å; Y160-E210 PolarHBondContact OH-OE2 2.94Å; Q206-E210 HydrophobicContact CG-CG 4.44Å; Q206-E210 PolarHBondContact NE2-OE1 3.25Å; Q206-E210 WeakPolarHBondContact O-CB 3.37Å; Q206-E210 WeakPolarHBondContact O-CG 3.49Å; Q206-E210 PolarHBondContact O-N 3.48Å; S207-E210 PolarHBondContact O-N 3.26Å; E210-G212 VanDerWaalsContact C-N 3.3Å |
| 211 | L | 85.9 | Confident | 75.5 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -13.1 | 177.6 | -72.9 | 170.9 | 0 | 0 | 0 | 114.2 | W123 L164 W167 R168 F172 S207 V209 L213 V227 | W123-L211 HydrophobicContact CH2-CD2 3.95Å; W123-L211 HydrophobicContact CH2-CG 4.06Å; W123-L211 HydrophobicContact CZ3-CD2 4.03Å; W123-L211 HydrophobicContact CZ3-CG 4.38Å; L164-L211 HydrophobicContact CB-CD2 4.46Å; L164-L211 HydrophobicContact CD2-CD2 4.42Å; L164-L211 WeakPolarHBondContact O-CD2 3.38Å; W167-L211 HydrophobicContact CB-CD2 4.28Å; W167-L211 HydrophobicContact CG-CD2 4.23Å; R168-L211 HydrophobicContact CB-CD2 4.19Å; F172-L211 HydrophobicContact CB-CD1 4.01Å; F172-L211 HydrophobicContact CD2-CD1 3.68Å; F172-L211 HydrophobicContact CE2-CD1 4.3Å; F172-L211 HydrophobicContact CG-CD1 3.85Å; S207-L211 WeakPolarHBondContact O-CB 3.38Å; S207-L211 WeakPolarHBondContact O-CD1 3.37Å; S207-L211 WeakPolarHBondContact O-CG 3.37Å; S207-L211 PolarHBondContact O-N 3.26Å; V209-L211 VanDerWaalsContact C-N 3.26Å; V209-L211 PolarHBondContact O-N 3.01Å; L211-L213 PolarHBondContact O-N 3.25Å; L211-V227 HydrophobicContact CB-CG1 4.24Å |
| 212 | G | 79.3 | Confident | 73.8 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | -77.8 | 106.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | V209 E210 P223 T224 | V209-G212 PolarHBondContact O-N 2.87Å; E210-G212 VanDerWaalsContact C-N 3.3Å; G212-P223 CarbonylContact O-C 3.55Å; G212-P223 WeakPolarHBondContact O-CA 3.34Å; G212-P223 WeakPolarHBondContact O-CB 3.47Å; G212-T224 VanDerWaalsContact CA-O 3.22Å; G212-T224 WeakPolarHBondContact CA-O 3.45Å; G212-T224 WeakPolarHBondContact CA-OG1 3.41Å; G212-T224 PolarHBondContact O-N 2.88Å; G212-T224 PolarHBondContact O-OG1 3.37Å | ||
| 213 | L | 72.1 | Confident | 72.6 | Confident | 30 Ų | 30 | 56.5 Ų | 56.5 | 16% | 0.157 | 30% | 0.304 | C | S | . | . | trans | -104.2 | 146.4 | 179.2 | -62.7 | 169.8 | 0 | 0 | 0 | 109.9 | L164 V165 L211 E215 T224 | L164-L213 HydrophobicContact CB-CD1 4.05Å; L164-L213 HydrophobicContact CD1-CD2 3.9Å; V165-L213 HydrophobicContact CG2-CD1 3.41Å; V165-L213 VanDerWaalsContact CG2-CD1 3.41Å; L211-L213 PolarHBondContact O-N 3.25Å; L213-E215 PolarHBondContact O-N 3.42Å; L213-T224 PolarHBondContact N-OG1 3.17Å; L213-T224 PolarHBondContact O-OG1 2.96Å; L213-T224 VanDerWaalsContact O-OG1 3.11Å | ||
| 214 | N | 64.5 | Low | 71.9 | Confident | 63 Ų | 63 | 57.5 Ų | 57.5 | 34% | 0.337 | 31% | 0.309 | S | S | . | . | trans | -76.2 | 100 | 168.2 | -83.5 | -51.5 | 0 | 0 | 0 | 108.8 | E216 A220 G222 T224 | N214-E216 VanDerWaalsContact C-N 3.26Å; N214-E216 PolarHBondContact O-N 2.96Å; N214-A220 HydrophobicContact CB-CB 4.18Å; N214-G222 PolarHBondContact ND2-O 3.5Å; N214-T224 HydrophobicContact CB-CG2 4.29Å; N214-T224 VanDerWaalsContact CG-CG2 3.41Å; N214-T224 WeakPolarHBondContact OD1-CG2 3.39Å | ||
| 215 | E | 60.2 | Low | 71.5 | Confident | 116 Ų | 116 | 59.7 Ų | 59.7 | 54% | 0.542 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -73.4 | -18.8 | 178.5 | -65.7 | -173.5 | 179.3 | 0 | 0 | 112.8 | R168 L213 | R168-E215 IonicContact CZ-OE1 3.81Å; R168-E215 IonicContact NH1-OE1 2.63Å; R168-E215 PolarHBondContact NH1-OE1 3.43Å; R168-E215 IonicContact NH2-OE1 3.41Å; R168-E215 PolarHBondContact NH2-OE1 2.88Å; L213-E215 PolarHBondContact O-N 3.42Å |
| 216 | E | 54.8 | Low | 71.2 | Confident | 200 Ų | 200 | 62.1 Ų | 62.1 | 94% | 0.935 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -90.2 | -26.2 | -178.4 | -60.7 | -167.2 | 154.6 | 0 | 0 | 113.9 | N214 | N214-E216 VanDerWaalsContact C-N 3.26Å; N214-E216 PolarHBondContact O-N 2.96Å |
| 217 | D | 57.7 | Low | 71.1 | Confident | 88 Ų | 88 | 58.6 Ų | 58.6 | 47% | 0.471 | 32% | 0.322 | S | S | . | . | trans | -137.2 | 96.4 | 179.1 | -167.7 | -7.2 | 0 | 0 | 0 | 110.3 | F219 A220 | D217-F219 PolarHBondContact O-N 2.76Å; D217-F219 PolarHBondContact OD1-N 2.92Å; D217-A220 HydrophobicContact CB-CB 3.89Å; D217-A220 PolarHBondContact O-N 3.31Å; D217-A220 VanDerWaalsContact O-N 3.11Å | ||
| 218 | A | 53 | Low | 71 | Confident | 62 Ų | 62 | 58.6 Ų | 58.6 | 51% | 0.512 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -11.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 219 | F | 51.7 | Low | 70.9 | Confident | 111 Ų | 111 | 62 Ų | 62 | 49% | 0.487 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | -3.9 | 178.8 | -62.6 | -78.3 | 0 | 0 | 0 | 113.9 | R146 C149 D217 K221 | R146-F219 HydrophobicContact CG-CE1 4.24Å; R146-F219 HydrophobicContact CG-CZ 4.03Å; C149-F219 HydrophobicContact CB-CE2 4.09Å; C149-F219 HydrophobicContact CB-CZ 4.15Å; D217-F219 PolarHBondContact O-N 2.76Å; D217-F219 PolarHBondContact OD1-N 2.92Å; F219-K221 PolarHBondContact O-N 3.06Å |
| 220 | A | 57.8 | Low | 70.9 | Confident | 40 Ų | 40 | 66.9 Ų | 66.9 | 33% | 0.331 | 36% | 0.358 | S | S | . | . | trans | -64.5 | 120.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | N214 D217 G222 | N214-A220 HydrophobicContact CB-CB 4.18Å; D217-A220 HydrophobicContact CB-CB 3.89Å; D217-A220 PolarHBondContact O-N 3.31Å; D217-A220 VanDerWaalsContact O-N 3.11Å; A220-G222 PolarHBondContact O-N 3.37Å | ||
| 221 | K | 50.7 | Low | 71 | Confident | 213 Ų | 213 | 68.4 Ų | 68.4 | 93% | 0.926 | 36% | 0.363 | S | S | * | . | trans | -79.1 | 112.7 | 179.9 | -73.7 | -177.3 | 177.5 | 178.7 | 0 | 110.4 | F219 | F219-K221 PolarHBondContact O-N 3.06Š| ||
| 222 | G | 57 | Low | 71.4 | Confident | 46 Ų | 46 | 68.5 Ų | 68.5 | 47% | 0.474 | 36% | 0.364 | S | S | . | . | S | Bend | trans | 129.4 | 148.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N214 A220 | N214-G222 PolarHBondContact ND2-O 3.5Å; A220-G222 PolarHBondContact O-N 3.37Å |
| 223 | P | 64.1 | Low | 72 | Confident | 68 Ų | 68 | 68.6 Ų | 68.6 | 44% | 0.442 | 36% | 0.364 | S | S | . | . | trans | -67.9 | 145.3 | 176.8 | 25 | -29.7 | 0 | 0 | 0 | 112 | V209 G212 | V209-P223 HydrophobicContact CG1-CB 4.29Å; V209-P223 HydrophobicContact CG1-CG 3.8Å; V209-P223 WeakPolarHBondContact O-CB 3.13Å; G212-P223 CarbonylContact O-C 3.55Å; G212-P223 WeakPolarHBondContact O-CA 3.34Å; G212-P223 WeakPolarHBondContact O-CB 3.47Å | ||
| 224 | T | 74.4 | Confident | 72.9 | Confident | 29 Ų | 29 | 70.7 Ų | 70.7 | 18% | 0.178 | 38% | 0.38 | C | S | . | . | trans | -75 | 137.2 | 162.5 | 50.1 | 0 | 0 | 0 | 0 | 108.7 | G212 L213 N214 S226 | G212-T224 VanDerWaalsContact CA-O 3.22Å; G212-T224 WeakPolarHBondContact CA-O 3.45Å; G212-T224 WeakPolarHBondContact CA-OG1 3.41Å; G212-T224 PolarHBondContact O-N 2.88Å; G212-T224 PolarHBondContact O-OG1 3.37Å; L213-T224 PolarHBondContact N-OG1 3.17Å; L213-T224 PolarHBondContact O-OG1 2.96Å; L213-T224 VanDerWaalsContact O-OG1 3.11Å; N214-T224 HydrophobicContact CB-CG2 4.29Å; N214-T224 VanDerWaalsContact CG-CG2 3.41Å; N214-T224 WeakPolarHBondContact OD1-CG2 3.39Å; T224-S226 PolarHBondContact O-N 2.99Å; T224-S226 VanDerWaalsContact O-N 3.12Å; T224-S226 PolarHBondContact OG1-OG 3.01Å | ||
| 225 | L | 83.3 | Confident | 74.3 | Confident | 46 Ų | 46 | 71.6 Ų | 71.6 | 24% | 0.241 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | 4.6 | 176.4 | -64.5 | 173.8 | 0 | 0 | 0 | 112.8 | V209 V227 Y228 K229 | V209-L225 HydrophobicContact CG1-CD2 4.05Å; V209-L225 HydrophobicContact CG2-CD2 4.2Å; L225-V227 PolarHBondContact O-N 3.49Å; L225-Y228 PolarHBondContact O-N 3.39Å; L225-K229 HydrophobicContact CB-CG 4.04Å; L225-K229 WeakPolarHBondContact O-CB 3.41Å; L225-K229 WeakPolarHBondContact O-CG 3.29Å; L225-K229 PolarHBondContact O-N 3.41Å |
| 226 | S | 84.1 | Confident | 76 | Confident | 60 Ų | 60 | 66.1 Ų | 66.1 | 42% | 0.42 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -55.8 | -47.1 | -171.2 | 54.9 | 0 | 0 | 0 | 0 | 113.2 | T224 K229 E230 | T224-S226 PolarHBondContact O-N 2.99Å; T224-S226 VanDerWaalsContact O-N 3.12Å; T224-S226 PolarHBondContact OG1-OG 3.01Å; S226-K229 PolarHBondContact O-N 3.28Å; S226-E230 WeakPolarHBondContact O-CB 3.41Å; S226-E230 PolarHBondContact O-N 2.88Å |
| 227 | V | 86.2 | Confident | 77.9 | Confident | 6 Ų | 6 | 57.4 Ų | 57.4 | 4% | 0.036 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.4 | -42.9 | -179.8 | 177.6 | 0 | 0 | 0 | 0 | 111 | F172 Y208 L211 L225 Y231 | F172-V227 HydrophobicContact CE1-CG1 3.84Å; F172-V227 HydrophobicContact CE2-CG1 3.98Å; F172-V227 HydrophobicContact CZ-CG1 3.39Å; Y208-V227 WeakPolarHBondContact O-CB 3.03Å; L211-V227 HydrophobicContact CB-CG1 4.24Å; L225-V227 PolarHBondContact O-N 3.49Å; V227-Y231 HydrophobicContact CG1-CD2 4Å; V227-Y231 WeakPolarHBondContact O-CB 3.47Å; V227-Y231 WeakPolarHBondContact O-CD2 3.48Å; V227-Y231 PolarHBondContact O-N 2.95Å; V227-Y231 VanDerWaalsContact O-N 3.08Å |
| 228 | Y | 90.2 | Very high | 79.6 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62 | -46.7 | 174.7 | 173.4 | -97.7 | 0 | 0 | 0 | 111.9 | V205 V209 L225 F232 E233 H280 T283 | V205-Y228 HydrophobicContact CG1-CD2 4.14Å; V205-Y228 HydrophobicContact CG1-CE2 3.69Å; V205-Y228 HydrophobicContact CG2-CE2 4.29Å; V209-Y228 HydrophobicContact CG2-CD2 4.03Å; V209-Y228 HydrophobicContact CG2-CG 4.05Å; L225-Y228 PolarHBondContact O-N 3.39Å; Y228-F232 HydrophobicContact CD2-CB 4.49Å; Y228-F232 AromaticContact CD2-CD1 3.99Å; Y228-F232 HydrophobicContact CD2-CD1 3.99Å; Y228-F232 AromaticContact CE2-CD1 3.36Å; Y228-F232 HydrophobicContact CE2-CD1 3.36Å; Y228-F232 AromaticContact CE2-CE1 3.85Å; Y228-F232 HydrophobicContact CE2-CE1 3.85Å; Y228-F232 HydrophobicContact CE2-CG 4.31Å; Y228-F232 AromaticContact CZ-CD1 3.81Å; Y228-F232 WeakPolarHBondContact O-CA 3.5Å; Y228-F232 WeakPolarHBondContact O-CB 3.43Å; Y228-F232 PolarHBondContact O-N 3.18Å; Y228-F232 VanDerWaalsContact O-N 3.1Å; Y228-E233 HydrophobicContact CD1-CB 4.29Å; Y228-E233 HydrophobicContact CE1-CB 3.97Å; Y228-E233 HydrophobicContact CE1-CG 4.22Å; Y228-E233 PolarHBondContact O-N 3.42Å; Y228-H280 HydrophobicContact CD1-CB 4.39Å; Y228-H280 HydrophobicContact CE1-CB 3.8Å; Y228-H280 HydrophobicContact CE2-CB 4.25Å; Y228-H280 PolarHBondContact OH-N 3.03Å; Y228-T283 VanDerWaalsContact CE1-OG1 3.26Å; Y228-T283 WeakPolarHBondContact CE1-OG1 3.34Å; Y228-T283 PolarHBondContact OH-OG1 2.81Å |
| 229 | K | 88 | Confident | 81.6 | Confident | 72 Ų | 72 | 56.7 Ų | 56.7 | 31% | 0.313 | 31% | 0.307 | S | S | . | . | I | π-helix | trans | -62.4 | -51.3 | -179.4 | -64.9 | -136.7 | 168.5 | -163.7 | 0 | 111.9 | L225 S226 E233 C234 E286 | L225-K229 HydrophobicContact CB-CG 4.04Å; L225-K229 WeakPolarHBondContact O-CB 3.41Å; L225-K229 WeakPolarHBondContact O-CG 3.29Å; L225-K229 PolarHBondContact O-N 3.41Å; S226-K229 PolarHBondContact O-N 3.28Å; K229-E233 WeakPolarHBondContact CD-OE2 3.46Å; K229-E233 VanDerWaalsContact CE-OE2 3.24Å; K229-E233 WeakPolarHBondContact CE-OE2 3.16Å; K229-E233 WeakPolarHBondContact CG-OE2 3.42Å; K229-E233 IonicContact NZ-OE2 3.87Å; K229-E233 PolarHBondContact O-N 3.23Å; K229-C234 PolarHBondContact O-N 3.39Å; K229-C234 PolarHBondContact O-SG 3.27Å; K229-E286 IonicContact NZ-OE1 2.88Å |
| 230 | E | 88.3 | Confident | 83.6 | Confident | 122 Ų | 122 | 51.5 Ų | 51.5 | 57% | 0.57 | 28% | 0.284 | S | S | * | . | I | π-helix | trans | -70.2 | -45.9 | -173.3 | -173.9 | -175.4 | 165.2 | 0 | 0 | 112.7 | S226 | S226-E230 WeakPolarHBondContact O-CB 3.41Å; S226-E230 PolarHBondContact O-N 2.88Å |
| 231 | Y | 88.4 | Confident | 85.4 | Confident | 65 Ų | 65 | 51.9 Ų | 51.9 | 26% | 0.255 | 28% | 0.279 | S | S | . | . | I | π-helix | trans | -98.1 | -13.5 | -170 | -64.9 | -85.8 | 0 | 0 | 0 | 114.4 | F172 N176 T180 V227 | F172-Y231 HydrophobicContact CE1-CD1 4.39Å; F172-Y231 HydrophobicContact CE1-CD2 4.11Å; F172-Y231 HydrophobicContact CE1-CE2 4.32Å; F172-Y231 HydrophobicContact CE1-CG 4.16Å; F172-Y231 HydrophobicContact CZ-CD1 4.26Å; F172-Y231 AromaticContact CZ-CD2 3.89Å; F172-Y231 HydrophobicContact CZ-CD2 3.89Å; F172-Y231 AromaticContact CZ-CG 3.74Å; F172-Y231 HydrophobicContact CZ-CG 3.74Å; N176-Y231 WeakPolarHBondContact ND2-CD1 3.36Å; N176-Y231 WeakPolarHBondContact ND2-CE1 3.26Å; T180-Y231 WeakPolarHBondContact CG2-O 3.38Å; T180-Y231 PolarHBondContact OG1-O 3.49Å; T180-Y231 VanDerWaalsContact OG1-O 3.09Å; V227-Y231 HydrophobicContact CG1-CD2 4Å; V227-Y231 WeakPolarHBondContact O-CB 3.47Å; V227-Y231 WeakPolarHBondContact O-CD2 3.48Å; V227-Y231 PolarHBondContact O-N 2.95Å; V227-Y231 VanDerWaalsContact O-N 3.08Å |
| 232 | F | 93.2 | Very high | 87.5 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.009 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -128.4 | -61.5 | 179.5 | 176.6 | -94.5 | 0 | 0 | 0 | 112.8 | T180 V183 L184 I187 V205 Y208 Y228 C234 Q235 F236 L279 | T180-F232 HydrophobicContact CG2-CD2 4.39Å; V183-F232 HydrophobicContact CB-CE2 4.38Å; V183-F232 HydrophobicContact CG1-CD2 4.46Å; V183-F232 HydrophobicContact CG1-CE2 3.6Å; V183-F232 HydrophobicContact CG1-CZ 4.31Å; L184-F232 HydrophobicContact CD2-CE2 4.16Å; I187-F232 HydrophobicContact CD1-CE2 4.45Å; I187-F232 HydrophobicContact CD1-CZ 4.13Å; V205-F232 HydrophobicContact CG2-CE1 4.45Å; Y208-F232 HydrophobicContact CD2-CB 3.73Å; Y208-F232 HydrophobicContact CE2-CB 3.98Å; Y228-F232 HydrophobicContact CD2-CB 4.49Å; Y228-F232 AromaticContact CD2-CD1 3.99Å; Y228-F232 HydrophobicContact CD2-CD1 3.99Å; Y228-F232 AromaticContact CE2-CD1 3.36Å; Y228-F232 HydrophobicContact CE2-CD1 3.36Å; Y228-F232 AromaticContact CE2-CE1 3.85Å; Y228-F232 HydrophobicContact CE2-CE1 3.85Å; Y228-F232 HydrophobicContact CE2-CG 4.31Å; Y228-F232 AromaticContact CZ-CD1 3.81Å; Y228-F232 WeakPolarHBondContact O-CA 3.5Å; Y228-F232 WeakPolarHBondContact O-CB 3.43Å; Y228-F232 PolarHBondContact O-N 3.18Å; Y228-F232 VanDerWaalsContact O-N 3.1Å; F232-C234 PolarHBondContact O-N 2.98Å; F232-Q235 PolarHBondContact O-N 3.14Å; F232-F236 HydrophobicContact CD1-CB 4.44Å; F232-F236 HydrophobicContact CE1-CB 4.04Å; F232-F236 HydrophobicContact CE1-CD1 4.45Å; F232-F236 HydrophobicContact CE1-CG 4.15Å; F232-F236 HydrophobicContact CE2-CB 4.39Å; F232-F236 HydrophobicContact CZ-CB 4.02Å; F232-F236 HydrophobicContact CZ-CD2 4.23Å; F232-F236 HydrophobicContact CZ-CG 4.06Å; F232-F236 VanDerWaalsContact O-CB 3.28Å; F232-F236 WeakPolarHBondContact O-CB 3.33Å; F232-F236 PolarHBondContact O-N 3.22Å; F232-L279 HydrophobicContact CE1-CD2 3.69Å; F232-L279 HydrophobicContact CZ-CD2 3.73Å |
| 233 | E | 92.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -57.2 | -48.1 | -170.1 | -168.2 | 171.8 | -133.6 | 0 | 0 | 112.3 | Y228 K229 Q235 F236 L237 T283 | Y228-E233 HydrophobicContact CD1-CB 4.29Å; Y228-E233 HydrophobicContact CE1-CB 3.97Å; Y228-E233 HydrophobicContact CE1-CG 4.22Å; Y228-E233 PolarHBondContact O-N 3.42Å; K229-E233 WeakPolarHBondContact CD-OE2 3.46Å; K229-E233 VanDerWaalsContact CE-OE2 3.24Å; K229-E233 WeakPolarHBondContact CE-OE2 3.16Å; K229-E233 WeakPolarHBondContact CG-OE2 3.42Å; K229-E233 IonicContact NZ-OE2 3.87Å; K229-E233 PolarHBondContact O-N 3.23Å; E233-Q235 PolarHBondContact O-N 3.16Å; E233-F236 PolarHBondContact O-N 2.98Å; E233-L237 HydrophobicContact CG-CD1 4.03Å; E233-L237 HydrophobicContact CG-CG 4.37Å; E233-L237 WeakPolarHBondContact O-CB 3.33Å; E233-L237 VanDerWaalsContact O-CG 3.25Å; E233-L237 WeakPolarHBondContact O-CG 3.31Å; E233-L237 PolarHBondContact O-N 3.47Å; E233-T283 HydrophobicContact CG-CG2 4.15Å; E233-T283 WeakPolarHBondContact OE1-CA 3.31Å; E233-T283 VanDerWaalsContact OE1-CB 3.26Å; E233-T283 WeakPolarHBondContact OE1-CB 3.42Å; E233-T283 PolarHBondContact OE1-N 3.43Å; E233-T283 PolarHBondContact OE1-OG1 3.5Å |
| 234 | C | 91.6 | Very high | 90.9 | Very high | 74 Ų | 74 | 45.7 Ų | 45.7 | 50% | 0.5 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.2 | -45.1 | 178.8 | -74.4 | 0 | 0 | 0 | 0 | 113 | K229 F232 T238 | K229-C234 PolarHBondContact O-N 3.39Å; K229-C234 PolarHBondContact O-SG 3.27Å; F232-C234 PolarHBondContact O-N 2.98Å; C234-T238 WeakPolarHBondContact O-CB 3.37Å; C234-T238 PolarHBondContact O-N 3.49Å; C234-T238 VanDerWaalsContact O-N 3.16Å; C234-T238 PolarHBondContact O-OG1 2.92Å |
| 235 | Q | 93 | Very high | 91.9 | Very high | 83 Ų | 83 | 46.5 Ų | 46.5 | 39% | 0.388 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -71.6 | -40.8 | 179.1 | -171 | 63.7 | 52.5 | 0 | 0 | 111 | L184 F232 E233 L237 T238 D239 | L184-Q235 HydrophobicContact CD1-CB 4.21Å; L184-Q235 HydrophobicContact CD1-CG 3.5Å; F232-Q235 PolarHBondContact O-N 3.14Å; E233-Q235 PolarHBondContact O-N 3.16Å; Q235-L237 PolarHBondContact O-N 2.93Å; Q235-T238 PolarHBondContact O-N 3.31Å; Q235-D239 PolarHBondContact NE2-OD1 3.28Å; Q235-D239 WeakPolarHBondContact O-CB 3.43Å; Q235-D239 PolarHBondContact O-N 2.73Å |
| 236 | F | 95.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 50 Ų | 50 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.1 | -47.2 | 176.1 | 168.1 | -108.8 | 0 | 0 | 0 | 112 | L184 I187 F232 E233 T238 D239 T240 L279 T283 L287 | L184-F236 HydrophobicContact CD2-CB 3.81Å; L184-F236 HydrophobicContact CD2-CD2 3.96Å; L184-F236 HydrophobicContact CD2-CG 4.4Å; I187-F236 HydrophobicContact CD1-CD2 4.05Å; I187-F236 HydrophobicContact CD1-CE2 4.02Å; I187-F236 HydrophobicContact CG2-CE2 4.16Å; F232-F236 HydrophobicContact CD1-CB 4.44Å; F232-F236 HydrophobicContact CE1-CB 4.04Å; F232-F236 HydrophobicContact CE1-CD1 4.45Å; F232-F236 HydrophobicContact CE1-CG 4.15Å; F232-F236 HydrophobicContact CE2-CB 4.39Å; F232-F236 HydrophobicContact CZ-CB 4.02Å; F232-F236 HydrophobicContact CZ-CD2 4.23Å; F232-F236 HydrophobicContact CZ-CG 4.06Å; F232-F236 VanDerWaalsContact O-CB 3.28Å; F232-F236 WeakPolarHBondContact O-CB 3.33Å; F232-F236 PolarHBondContact O-N 3.22Å; E233-F236 PolarHBondContact O-N 2.98Å; F236-T238 VanDerWaalsContact C-N 3.34Å; F236-T238 PolarHBondContact O-N 3.32Å; F236-D239 PolarHBondContact O-N 3.2Å; F236-T240 VanDerWaalsContact O-CB 3.25Å; F236-T240 WeakPolarHBondContact O-CB 3.38Å; F236-T240 PolarHBondContact O-N 3.21Å; F236-T240 PolarHBondContact O-OG1 3.49Å; F236-L279 HydrophobicContact CE1-CD1 3.78Å; F236-L279 HydrophobicContact CZ-CD1 3.72Å; F236-T283 HydrophobicContact CD1-CG2 4.16Å; F236-T283 HydrophobicContact CE1-CG2 3.96Å; F236-L287 HydrophobicContact CE1-CD1 3.72Å; F236-L287 HydrophobicContact CE1-CD2 3.93Å; F236-L287 HydrophobicContact CE1-CG 4.31Å; F236-L287 HydrophobicContact CZ-CD1 3.93Å; F236-L287 HydrophobicContact CZ-CD2 4.02Å |
| 237 | L | 95.1 | Very high | 92.9 | Very high | 16 Ų | 16 | 48.5 Ų | 48.5 | 8% | 0.084 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.1 | -40.3 | 177.4 | -68.1 | 175.1 | 0 | 0 | 0 | 111.6 | E233 Q235 T240 E241 E286 L287 | E233-L237 HydrophobicContact CG-CD1 4.03Å; E233-L237 HydrophobicContact CG-CG 4.37Å; E233-L237 WeakPolarHBondContact O-CB 3.33Å; E233-L237 VanDerWaalsContact O-CG 3.25Å; E233-L237 WeakPolarHBondContact O-CG 3.31Å; E233-L237 PolarHBondContact O-N 3.47Å; Q235-L237 PolarHBondContact O-N 2.93Å; L237-T240 PolarHBondContact O-N 3.48Å; L237-E241 PolarHBondContact O-N 2.89Å; L237-E286 HydrophobicContact CD1-CB 4.03Å; L237-L287 HydrophobicContact CD2-CB 3.92Å; L237-L287 HydrophobicContact CD2-CD1 3.96Å |
| 238 | T | 94.4 | Very high | 93.3 | Very high | 82 Ų | 82 | 48.2 Ų | 48.2 | 50% | 0.503 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.5 | -46.1 | 177.9 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | C234 Q235 F236 T240 E241 R242 | C234-T238 WeakPolarHBondContact O-CB 3.37Å; C234-T238 PolarHBondContact O-N 3.49Å; C234-T238 VanDerWaalsContact O-N 3.16Å; C234-T238 PolarHBondContact O-OG1 2.92Å; Q235-T238 PolarHBondContact O-N 3.31Å; F236-T238 VanDerWaalsContact C-N 3.34Å; F236-T238 PolarHBondContact O-N 3.32Å; T238-T240 VanDerWaalsContact C-N 3.31Å; T238-T240 PolarHBondContact O-N 3.4Å; T238-E241 PolarHBondContact O-N 2.9Å; T238-R242 WeakPolarHBondContact O-CB 3.19Å; T238-R242 PolarHBondContact O-N 2.78Å |
| 239 | D | 93.9 | Very high | 93.5 | Very high | 54 Ų | 54 | 51 Ų | 51 | 29% | 0.289 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -68.1 | -34.8 | 178.2 | -76.2 | 6.3 | 0 | 0 | 0 | 111.4 | L184 Q235 F236 R242 F243 | L184-D239 WeakPolarHBondContact CD1-OD2 3.39Å; Q235-D239 PolarHBondContact NE2-OD1 3.28Å; Q235-D239 WeakPolarHBondContact O-CB 3.43Å; Q235-D239 PolarHBondContact O-N 2.73Å; F236-D239 PolarHBondContact O-N 3.2Å; D239-R242 PolarHBondContact O-N 3.21Å; D239-F243 VanDerWaalsContact O-CB 3.29Å; D239-F243 WeakPolarHBondContact O-CB 3.45Å; D239-F243 PolarHBondContact O-N 3.41Å |
| 240 | T | 95.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.4 | -46.4 | 174 | -58.6 | 0 | 0 | 0 | 0 | 112.1 | R191 F236 L237 T238 R242 F243 Y244 L287 | R191-T240 PolarHBondContact NH1-OG1 3.49Å; R191-T240 VanDerWaalsContact NH1-OG1 3.09Å; R191-T240 VanDerWaalsContact NH2-CG2 3.25Å; R191-T240 PolarHBondContact NH2-OG1 2.69Å; F236-T240 VanDerWaalsContact O-CB 3.25Å; F236-T240 WeakPolarHBondContact O-CB 3.38Å; F236-T240 PolarHBondContact O-N 3.21Å; F236-T240 PolarHBondContact O-OG1 3.49Å; L237-T240 PolarHBondContact O-N 3.48Å; T238-T240 VanDerWaalsContact C-N 3.31Å; T238-T240 PolarHBondContact O-N 3.4Å; T240-R242 VanDerWaalsContact C-N 3.31Å; T240-R242 PolarHBondContact O-N 3.42Å; T240-F243 PolarHBondContact O-N 2.92Å; T240-Y244 HydrophobicContact CG2-CD2 3.55Å; T240-Y244 HydrophobicContact CG2-CE2 3.62Å; T240-Y244 WeakPolarHBondContact O-CD2 3.19Å; T240-Y244 PolarHBondContact O-N 2.98Å; T240-L287 HydrophobicContact CG2-CD1 3.77Å |
| 241 | E | 95.2 | Very high | 94.1 | Very high | 48 Ų | 48 | 48.4 Ų | 48.4 | 22% | 0.224 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59 | -44.4 | 174 | 165.5 | 159.3 | -156.3 | 0 | 0 | 110.9 | L237 T238 T245 K290 V294 K298 | L237-E241 PolarHBondContact O-N 2.89Å; T238-E241 PolarHBondContact O-N 2.9Å; E241-T245 VanDerWaalsContact O-CB 3.22Å; E241-T245 WeakPolarHBondContact O-CB 3.49Å; E241-T245 PolarHBondContact O-N 2.84Å; E241-T245 PolarHBondContact O-OG1 3.48Å; E241-K290 IonicContact OE2-NZ 3.73Å; E241-K290 PolarHBondContact OE2-NZ 3.13Å; E241-V294 HydrophobicContact CB-CG2 4.11Å; E241-V294 HydrophobicContact CG-CG2 3.68Å; E241-K298 IonicContact OE1-NZ 3.02Å; E241-K298 PolarHBondContact OE1-NZ 3.4Å |
| 242 | R | 95.1 | Very high | 94.3 | Very high | 170 Ų | 170 | 46.7 Ų | 46.7 | 64% | 0.642 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -65.1 | -41.1 | 178.9 | -170.1 | 179.5 | -177.8 | -172 | 0.7 | 112.6 | T238 D239 T240 R246 | T238-R242 WeakPolarHBondContact O-CB 3.19Å; T238-R242 PolarHBondContact O-N 2.78Å; D239-R242 PolarHBondContact O-N 3.21Å; T240-R242 VanDerWaalsContact C-N 3.31Å; T240-R242 PolarHBondContact O-N 3.42Å; R242-R246 PolarHBondContact O-N 2.88Å |
| 243 | F | 95.7 | Very high | 94.3 | Very high | 26 Ų | 26 | 53.8 Ų | 53.8 | 11% | 0.114 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.7 | -55.2 | 177.6 | 179.2 | -89.7 | 0 | 0 | 0 | 110.7 | E188 R191 D239 T240 T245 R246 E247 | E188-F243 HydrophobicContact CG-CD2 4.21Å; E188-F243 HydrophobicContact CG-CE2 4.24Å; R191-F243 HydrophobicContact CB-CE1 3.94Å; R191-F243 HydrophobicContact CB-CE2 4.24Å; R191-F243 HydrophobicContact CB-CZ 3.67Å; R191-F243 HydrophobicContact CG-CE1 4.38Å; D239-F243 VanDerWaalsContact O-CB 3.29Å; D239-F243 WeakPolarHBondContact O-CB 3.45Å; D239-F243 PolarHBondContact O-N 3.41Å; T240-F243 PolarHBondContact O-N 2.92Å; F243-T245 VanDerWaalsContact C-N 3.34Å; F243-T245 PolarHBondContact O-N 3.44Å; F243-R246 PolarHBondContact O-N 3.39Å; F243-E247 PolarHBondContact O-N 3.49Å |
| 244 | Y | 96.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 61.2 Ų | 61.2 | 0% | 0.004 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.8 | -27.5 | -177.3 | -75 | -54.6 | 0 | 0 | 0 | 113.4 | T240 R246 S248 R267 E271 V294 L295 | T240-Y244 HydrophobicContact CG2-CD2 3.55Å; T240-Y244 HydrophobicContact CG2-CE2 3.62Å; T240-Y244 WeakPolarHBondContact O-CD2 3.19Å; T240-Y244 PolarHBondContact O-N 2.98Å; Y244-R246 VanDerWaalsContact C-N 3.32Å; Y244-S248 WeakPolarHBondContact O-CB 3.33Å; Y244-S248 PolarHBondContact O-N 2.87Å; Y244-S248 PolarHBondContact O-OG 3.01Å; Y244-R267 HydrophobicContact CE1-CB 3.9Å; Y244-R267 HydrophobicContact CE1-CG 3.77Å; Y244-E271 HydrophobicContact CE2-CG 3.79Å; Y244-E271 WeakPolarHBondContact OH-CG 3.5Å; Y244-E271 PolarHBondContact OH-OE1 3.35Å; Y244-V294 VanDerWaalsContact C-CG1 3.49Å; Y244-L295 HydrophobicContact CD1-CD1 4.4Å; Y244-L295 HydrophobicContact CD1-CD2 3.87Å; Y244-L295 HydrophobicContact CG-CD1 4.46Å; Y244-L295 HydrophobicContact CG-CD2 4.06Å; Y244-L295 HydrophobicContact CG-CG 4.37Å |
| 245 | T | 94.8 | Very high | 94.4 | Very high | 46 Ų | 46 | 60.5 Ų | 60.5 | 28% | 0.282 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.2 | -41.7 | 173.2 | -61.4 | 0 | 0 | 0 | 0 | 110.5 | E241 F243 S248 T249 V294 | E241-T245 VanDerWaalsContact O-CB 3.22Å; E241-T245 WeakPolarHBondContact O-CB 3.49Å; E241-T245 PolarHBondContact O-N 2.84Å; E241-T245 PolarHBondContact O-OG1 3.48Å; F243-T245 VanDerWaalsContact C-N 3.34Å; F243-T245 PolarHBondContact O-N 3.44Å; T245-S248 PolarHBondContact O-OG 3.36Å; T245-T249 WeakPolarHBondContact O-CB 3.48Å; T245-T249 PolarHBondContact O-N 3.42Å; T245-T249 PolarHBondContact O-OG1 2.99Å; T245-V294 VanDerWaalsContact N-CG1 3.26Å; T245-V294 VanDerWaalsContact OG1-CG1 3.28Å; T245-V294 WeakPolarHBondContact OG1-CG1 3.48Å |
| 246 | R | 94.8 | Very high | 94.5 | Very high | 120 Ų | 120 | 60.3 Ų | 60.3 | 45% | 0.453 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -69.1 | -52.1 | 176.9 | -169 | -174.4 | -41.3 | 167.2 | 14.9 | 111.4 | R242 F243 Y244 S248 T249 E250 | R242-R246 PolarHBondContact O-N 2.88Å; F243-R246 PolarHBondContact O-N 3.39Å; Y244-R246 VanDerWaalsContact C-N 3.32Å; R246-S248 PolarHBondContact O-N 2.7Å; R246-T249 PolarHBondContact O-N 2.98Å; R246-E250 HydrophobicContact CG-CG 4.46Å; R246-E250 WeakPolarHBondContact CG-OE1 3.28Å; R246-E250 WeakPolarHBondContact O-CB 3.48Å; R246-E250 WeakPolarHBondContact O-CG 3.11Å; R246-E250 PolarHBondContact O-N 2.91Å |
| 247 | E | 94.7 | Very high | 94.4 | Very high | 28 Ų | 28 | 61.1 Ų | 61.1 | 13% | 0.131 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.4 | -45.4 | -178.3 | -176.9 | 177.9 | -134.1 | 0 | 0 | 111.6 | F243 T249 F251 K263 R267 | F243-E247 PolarHBondContact O-N 3.49Å; E247-T249 PolarHBondContact O-N 3.18Å; E247-F251 WeakPolarHBondContact O-CB 3.25Å; E247-F251 PolarHBondContact O-N 2.64Å; E247-K263 WeakPolarHBondContact OE1-CE 3.43Å; E247-K263 IonicContact OE1-NZ 3.79Å; E247-K263 PolarHBondContact OE1-NZ 3.5Å; E247-R267 IonicContact OE1-CZ 3.82Å; E247-R267 IonicContact OE1-NE 3.74Å; E247-R267 PolarHBondContact OE1-NE 2.86Å; E247-R267 IonicContact OE1-NH2 3.9Å; E247-R267 PolarHBondContact OE1-NH2 3.11Å; E247-R267 IonicContact OE2-CZ 3.25Å; E247-R267 IonicContact OE2-NE 3.59Å; E247-R267 PolarHBondContact OE2-NE 3.12Å; E247-R267 IonicContact OE2-NH2 3.56Å |
| 248 | S | 94.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.007 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.2 | -43.9 | -179.3 | 55.1 | 0 | 0 | 0 | 0 | 112.4 | Y244 T245 R246 F251 L252 Y260 H299 | Y244-S248 WeakPolarHBondContact O-CB 3.33Å; Y244-S248 PolarHBondContact O-N 2.87Å; Y244-S248 PolarHBondContact O-OG 3.01Å; T245-S248 PolarHBondContact O-OG 3.36Å; R246-S248 PolarHBondContact O-N 2.7Å; S248-F251 PolarHBondContact O-N 3.4Å; S248-L252 WeakPolarHBondContact O-CB 3.49Å; S248-L252 WeakPolarHBondContact O-CG 3.25Å; S248-L252 PolarHBondContact O-N 2.91Å; S248-Y260 WeakPolarHBondContact CB-OH 3.35Å; S248-H299 WeakPolarHBondContact CB-NE2 3.13Å; S248-H299 PolarHBondContact OG-NE2 3.33Å |
| 249 | T | 93.4 | Very high | 94.4 | Very high | 57 Ų | 57 | 61.1 Ų | 61.1 | 35% | 0.35 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -68.3 | -45.6 | -178.1 | -55.1 | 0 | 0 | 0 | 0 | 111.4 | T245 R246 E247 Q253 | T245-T249 WeakPolarHBondContact O-CB 3.48Å; T245-T249 PolarHBondContact O-N 3.42Å; T245-T249 PolarHBondContact O-OG1 2.99Å; R246-T249 PolarHBondContact O-N 2.98Å; E247-T249 PolarHBondContact O-N 3.18Å; T249-Q253 VanDerWaalsContact O-CG 3.31Å; T249-Q253 WeakPolarHBondContact O-CG 3.49Å; T249-Q253 PolarHBondContact O-N 3.49Å |
| 250 | E | 94.6 | Very high | 94.5 | Very high | 99 Ų | 99 | 58.8 Ų | 58.8 | 46% | 0.463 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 176.6 | -72.7 | 174.4 | -173.5 | 0 | 0 | 111.5 | R246 Q253 Q254 | R246-E250 HydrophobicContact CG-CG 4.46Å; R246-E250 WeakPolarHBondContact CG-OE1 3.28Å; R246-E250 WeakPolarHBondContact O-CB 3.48Å; R246-E250 WeakPolarHBondContact O-CG 3.11Å; R246-E250 PolarHBondContact O-N 2.91Å; E250-Q253 PolarHBondContact O-N 3.16Å; E250-Q254 PolarHBondContact O-N 2.87Å |
| 251 | F | 94.4 | Very high | 94.5 | Very high | 41 Ų | 41 | 58.7 Ų | 58.7 | 18% | 0.18 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.3 | -43.3 | -179 | -166.2 | -86.5 | 0 | 0 | 0 | 112.2 | E247 S248 Q253 Q254 N255 E259 Y260 K263 | E247-F251 WeakPolarHBondContact O-CB 3.25Å; E247-F251 PolarHBondContact O-N 2.64Å; S248-F251 PolarHBondContact O-N 3.4Å; F251-Q253 VanDerWaalsContact C-N 3.27Å; F251-Q253 PolarHBondContact O-N 3.24Å; F251-Q254 PolarHBondContact O-N 3.47Å; F251-N255 HydrophobicContact CD1-CB 3.92Å; F251-N255 HydrophobicContact CE1-CB 3.55Å; F251-N255 HydrophobicContact CZ-CB 3.93Å; F251-N255 WeakPolarHBondContact O-CB 3.43Å; F251-N255 PolarHBondContact O-N 3.28Å; F251-N255 PolarHBondContact O-ND2 2.83Å; F251-E259 HydrophobicContact CE1-CB 4.29Å; F251-E259 HydrophobicContact CZ-CB 4.45Å; F251-Y260 HydrophobicContact CB-CD2 4.47Å; F251-Y260 AromaticContact CD1-CD2 3.81Å; F251-Y260 HydrophobicContact CD1-CD2 3.81Å; F251-Y260 HydrophobicContact CD1-CG 4.37Å; F251-Y260 HydrophobicContact CG-CD2 4.48Å; F251-K263 HydrophobicContact CD1-CD 4.36Å; F251-K263 HydrophobicContact CD2-CD 3.6Å; F251-K263 HydrophobicContact CE1-CD 4.28Å; F251-K263 HydrophobicContact CE2-CD 3.51Å; F251-K263 HydrophobicContact CG-CD 4.02Å; F251-K263 HydrophobicContact CZ-CB 4.49Å; F251-K263 HydrophobicContact CZ-CD 3.86Å |
| 252 | L | 93.3 | Very high | 94.5 | Very high | 30 Ų | 30 | 60.3 Ų | 60.3 | 16% | 0.157 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.5 | -27 | 177.7 | -78.7 | 168.2 | 0 | 0 | 0 | 113.1 | S248 Q254 V257 Y260 H299 I302 | S248-L252 WeakPolarHBondContact O-CB 3.49Å; S248-L252 WeakPolarHBondContact O-CG 3.25Å; S248-L252 PolarHBondContact O-N 2.91Å; L252-Q254 VanDerWaalsContact C-N 3.32Å; L252-V257 HydrophobicContact CD2-CG2 4.22Å; L252-Y260 HydrophobicContact CD1-CD1 4.23Å; L252-Y260 HydrophobicContact CD1-CD2 4.42Å; L252-Y260 HydrophobicContact CD1-CE1 4.07Å; L252-Y260 HydrophobicContact CD1-CE2 4.29Å; L252-Y260 HydrophobicContact CD1-CG 4.39Å; L252-Y260 HydrophobicContact CD2-CD1 3.64Å; L252-Y260 HydrophobicContact CD2-CD2 4.09Å; L252-Y260 HydrophobicContact CD2-CE1 4.31Å; L252-Y260 HydrophobicContact CD2-CG 3.48Å; L252-Y260 VanDerWaalsContact CD2-CG 3.48Å; L252-Y260 HydrophobicContact CG-CD1 4.06Å; L252-Y260 HydrophobicContact CG-CD2 3.84Å; L252-Y260 HydrophobicContact CG-CE1 4.35Å; L252-Y260 HydrophobicContact CG-CE2 4.16Å; L252-Y260 HydrophobicContact CG-CG 3.77Å; L252-H299 HydrophobicContact CD1-CB 4.22Å; L252-I302 HydrophobicContact CD1-CD1 4.13Å |
| 253 | Q | 92.5 | Very high | 94.4 | Very high | 151 Ų | 151 | 55.1 Ų | 55.1 | 71% | 0.706 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -71.2 | -28.1 | 174.5 | -76.2 | 175.6 | 6.9 | 0 | 0 | 113.1 | T249 E250 F251 | T249-Q253 VanDerWaalsContact O-CG 3.31Å; T249-Q253 WeakPolarHBondContact O-CG 3.49Å; T249-Q253 PolarHBondContact O-N 3.49Å; E250-Q253 PolarHBondContact O-N 3.16Å; F251-Q253 VanDerWaalsContact C-N 3.27Å; F251-Q253 PolarHBondContact O-N 3.24Å |
| 254 | Q | 93.1 | Very high | 94.4 | Very high | 156 Ų | 156 | 53.9 Ų | 53.9 | 73% | 0.729 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -107 | -17.4 | -171.3 | -63.8 | 176.8 | 12.5 | 0 | 0 | 113.3 | E250 F251 L252 | E250-Q254 PolarHBondContact O-N 2.87Å; F251-Q254 PolarHBondContact O-N 3.47Å; L252-Q254 VanDerWaalsContact C-N 3.32Å |
| 255 | N | 94.1 | Very high | 94.4 | Very high | 60 Ų | 60 | 57.3 Ų | 57.3 | 32% | 0.321 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -134.3 | 155.3 | -169.9 | -58.9 | -85.4 | 0 | 0 | 0 | 112 | F251 | F251-N255 HydrophobicContact CD1-CB 3.92Å; F251-N255 HydrophobicContact CE1-CB 3.55Å; F251-N255 HydrophobicContact CZ-CB 3.93Å; F251-N255 WeakPolarHBondContact O-CB 3.43Å; F251-N255 PolarHBondContact O-N 3.28Å; F251-N255 PolarHBondContact O-ND2 2.83Å |
| 256 | P | 93.3 | Very high | 94.4 | Very high | 78 Ų | 78 | 57.2 Ų | 57.2 | 51% | 0.506 | 28% | 0.283 | S | S | . | . | trans | -60.7 | 150.3 | 171.9 | -21.7 | 33.5 | 0 | 0 | 0 | 112.7 | T258 E259 Y260 | P256-T258 PolarHBondContact O-N 3.39Å; P256-E259 PolarHBondContact O-N 3.18Å; P256-E259 VanDerWaalsContact O-N 3.16Å; P256-Y260 PolarHBondContact O-N 3.41Å; P256-Y260 VanDerWaalsContact O-N 3.14Å | ||
| 257 | V | 94.1 | Very high | 94.4 | Very high | 18 Ų | 18 | 52.8 Ų | 52.8 | 11% | 0.109 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.7 | -32.4 | 178.4 | 179.3 | 0 | 0 | 0 | 0 | 111.8 | L252 E259 Y260 M261 I302 F303 E306 | L252-V257 HydrophobicContact CD2-CG2 4.22Å; V257-E259 PolarHBondContact O-N 2.89Å; V257-Y260 WeakPolarHBondContact O-CB 3.26Å; V257-Y260 PolarHBondContact O-N 2.88Å; V257-M261 WeakPolarHBondContact O-CG 3.37Å; V257-M261 PolarHBondContact O-N 3.08Å; V257-I302 HydrophobicContact CG1-CG2 4.39Å; V257-I302 HydrophobicContact CG2-CG2 3.45Å; V257-I302 VanDerWaalsContact CG2-CG2 3.45Å; V257-F303 HydrophobicContact CG1-CD1 4.07Å; V257-F303 HydrophobicContact CG1-CE1 4.22Å; V257-E306 HydrophobicContact CB-CB 4.09Å; V257-E306 HydrophobicContact CB-CG 3.79Å; V257-E306 HydrophobicContact CG1-CB 3.95Å; V257-E306 HydrophobicContact CG1-CG 3.94Å; V257-E306 HydrophobicContact CG2-CB 4.27Å; V257-E306 HydrophobicContact CG2-CG 4.36Å |
| 258 | T | 94.1 | Very high | 94.4 | Very high | 16 Ų | 16 | 52.5 Ų | 52.5 | 10% | 0.098 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 176.6 | 47.5 | 0 | 0 | 0 | 0 | 113.5 | P256 M261 K262 L310 D318 | P256-T258 PolarHBondContact O-N 3.39Å; T258-M261 HydrophobicContact CG2-CE 4.11Å; T258-M261 PolarHBondContact O-N 3.33Å; T258-K262 PolarHBondContact O-N 3.04Å; T258-L310 HydrophobicContact CG2-CD1 4.49Å; T258-L310 HydrophobicContact CG2-CD2 3.73Å; T258-D318 HydrophobicContact CG2-CB 4.21Å |
| 259 | E | 94.4 | Very high | 94.4 | Very high | 82 Ų | 82 | 56.1 Ų | 56.1 | 38% | 0.383 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -72 | -35.3 | 173.9 | -68.4 | -55.6 | 127.8 | 0 | 0 | 111.4 | F251 P256 V257 M261 K262 K263 | F251-E259 HydrophobicContact CE1-CB 4.29Å; F251-E259 HydrophobicContact CZ-CB 4.45Å; P256-E259 PolarHBondContact O-N 3.18Å; P256-E259 VanDerWaalsContact O-N 3.16Å; V257-E259 PolarHBondContact O-N 2.89Å; E259-M261 VanDerWaalsContact C-N 3.33Å; E259-M261 PolarHBondContact O-N 3.48Å; E259-K262 PolarHBondContact O-N 3.1Å; E259-K262 IonicContact OE1-NZ 2.92Å; E259-K262 PolarHBondContact OE1-NZ 3.37Å; E259-K262 IonicContact OE2-NZ 2.86Å; E259-K263 PolarHBondContact O-N 3.08Å |
| 260 | Y | 96.3 | Very high | 94.4 | Very high | 5 Ų | 5 | 55.8 Ų | 55.8 | 2% | 0.02 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.1 | -42.9 | 173.2 | 175.2 | -104.3 | 0 | 0 | 0 | 111.9 | S248 F251 L252 P256 V257 K262 K263 A264 L295 H299 F303 | S248-Y260 WeakPolarHBondContact CB-OH 3.35Å; F251-Y260 HydrophobicContact CB-CD2 4.47Å; F251-Y260 AromaticContact CD1-CD2 3.81Å; F251-Y260 HydrophobicContact CD1-CD2 3.81Å; F251-Y260 HydrophobicContact CD1-CG 4.37Å; F251-Y260 HydrophobicContact CG-CD2 4.48Å; L252-Y260 HydrophobicContact CD1-CD1 4.23Å; L252-Y260 HydrophobicContact CD1-CD2 4.42Å; L252-Y260 HydrophobicContact CD1-CE1 4.07Å; L252-Y260 HydrophobicContact CD1-CE2 4.29Å; L252-Y260 HydrophobicContact CD1-CG 4.39Å; L252-Y260 HydrophobicContact CD2-CD1 3.64Å; L252-Y260 HydrophobicContact CD2-CD2 4.09Å; L252-Y260 HydrophobicContact CD2-CE1 4.31Å; L252-Y260 HydrophobicContact CD2-CG 3.48Å; L252-Y260 VanDerWaalsContact CD2-CG 3.48Å; L252-Y260 HydrophobicContact CG-CD1 4.06Å; L252-Y260 HydrophobicContact CG-CD2 3.84Å; L252-Y260 HydrophobicContact CG-CE1 4.35Å; L252-Y260 HydrophobicContact CG-CE2 4.16Å; L252-Y260 HydrophobicContact CG-CG 3.77Å; P256-Y260 PolarHBondContact O-N 3.41Å; P256-Y260 VanDerWaalsContact O-N 3.14Å; V257-Y260 WeakPolarHBondContact O-CB 3.26Å; V257-Y260 PolarHBondContact O-N 2.88Å; Y260-K262 VanDerWaalsContact C-N 3.34Å; Y260-K262 PolarHBondContact O-N 3.28Å; Y260-K263 CarbonylContact O-C 3.53Å; Y260-K263 PolarHBondContact O-N 3.12Å; Y260-K263 VanDerWaalsContact O-N 3.13Å; Y260-A264 HydrophobicContact CE1-CB 4.45Å; Y260-A264 WeakPolarHBondContact O-CB 3.26Å; Y260-A264 PolarHBondContact O-N 2.68Å; Y260-L295 WeakPolarHBondContact CE1-O 3.25Å; Y260-L295 WeakPolarHBondContact OH-CA 3.4Å; Y260-L295 PolarHBondContact OH-O 2.88Å; Y260-H299 PolarHBondContact OH-CD2 3.16Å; Y260-F303 AromaticContact CD1-CE1 3.76Å; Y260-F303 HydrophobicContact CD1-CE1 3.76Å; Y260-F303 AromaticContact CD1-CZ 3.98Å; Y260-F303 HydrophobicContact CD1-CZ 3.98Å; Y260-F303 AromaticContact CE1-CE1 3.68Å; Y260-F303 HydrophobicContact CE1-CE1 3.68Å; Y260-F303 AromaticContact CE1-CZ 3.73Å; Y260-F303 HydrophobicContact CE1-CZ 3.73Å |
| 261 | M | 94.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.9 | -42 | 177.5 | -72.5 | -169.9 | -69.9 | 0 | 0 | 112.5 | V257 T258 E259 K263 A264 E265 F303 L310 D318 R321 M322 L325 | V257-M261 WeakPolarHBondContact O-CG 3.37Å; V257-M261 PolarHBondContact O-N 3.08Å; T258-M261 HydrophobicContact CG2-CE 4.11Å; T258-M261 PolarHBondContact O-N 3.33Å; E259-M261 VanDerWaalsContact C-N 3.33Å; E259-M261 PolarHBondContact O-N 3.48Å; M261-K263 VanDerWaalsContact C-N 3.33Å; M261-A264 PolarHBondContact O-N 3.46Å; M261-E265 WeakPolarHBondContact O-CB 3.37Å; M261-E265 PolarHBondContact O-N 2.58Å; M261-F303 HydrophobicContact CG-CE2 4.35Å; M261-F303 HydrophobicContact CG-CZ 4.12Å; M261-L310 HydrophobicContact CE-CD1 4.09Å; M261-D318 HydrophobicContact CE-CB 4.4Å; M261-R321 HydrophobicContact CB-CG 4.36Å; M261-M322 HydrophobicContact CE-CB 4.4Å; M261-M322 HydrophobicContact CE-CE 3.88Å; M261-M322 HydrophobicContact SD-CB 3.55Å; M261-M322 VanDerWaalsContact SD-CB 3.55Å; M261-M322 HydrophobicContact SD-CE 3.62Å; M261-M322 HydrophobicContact SD-CG 3.85Å; M261-L325 HydrophobicContact CB-CD1 3.69Å; M261-L325 HydrophobicContact CG-CD1 3.83Å; M261-L325 HydrophobicContact SD-CD1 4.38Å |
| 262 | K | 95.3 | Very high | 94.3 | Very high | 82 Ų | 82 | 53.4 Ų | 53.4 | 36% | 0.357 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 174.6 | -66.4 | 173 | -173.9 | 167.6 | 0 | 111.2 | T258 E259 Y260 E265 A266 | T258-K262 PolarHBondContact O-N 3.04Å; E259-K262 PolarHBondContact O-N 3.1Å; E259-K262 IonicContact OE1-NZ 2.92Å; E259-K262 PolarHBondContact OE1-NZ 3.37Å; E259-K262 IonicContact OE2-NZ 2.86Å; Y260-K262 VanDerWaalsContact C-N 3.34Å; Y260-K262 PolarHBondContact O-N 3.28Å; K262-E265 PolarHBondContact O-N 2.7Å; K262-A266 WeakPolarHBondContact O-CB 3.26Å; K262-A266 PolarHBondContact O-N 3.43Å |
| 263 | K | 94.5 | Very high | 94.3 | Very high | 60 Ų | 60 | 58.1 Ų | 58.1 | 26% | 0.261 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 177.6 | -171 | 171.1 | 179.5 | -178.5 | 0 | 111.6 | E247 F251 E259 Y260 M261 E265 A266 R267 | E247-K263 WeakPolarHBondContact OE1-CE 3.43Å; E247-K263 IonicContact OE1-NZ 3.79Å; E247-K263 PolarHBondContact OE1-NZ 3.5Å; F251-K263 HydrophobicContact CD1-CD 4.36Å; F251-K263 HydrophobicContact CD2-CD 3.6Å; F251-K263 HydrophobicContact CE1-CD 4.28Å; F251-K263 HydrophobicContact CE2-CD 3.51Å; F251-K263 HydrophobicContact CG-CD 4.02Å; F251-K263 HydrophobicContact CZ-CB 4.49Å; F251-K263 HydrophobicContact CZ-CD 3.86Å; E259-K263 PolarHBondContact O-N 3.08Å; Y260-K263 CarbonylContact O-C 3.53Å; Y260-K263 PolarHBondContact O-N 3.12Å; Y260-K263 VanDerWaalsContact O-N 3.13Å; M261-K263 VanDerWaalsContact C-N 3.33Å; K263-E265 PolarHBondContact O-N 3.03Å; K263-A266 PolarHBondContact O-N 3.13Å; K263-R267 HydrophobicContact CG-CG 4.47Å; K263-R267 WeakPolarHBondContact O-CG 3.14Å; K263-R267 PolarHBondContact O-N 3.18Å |
| 264 | A | 95.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.008 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y260 M261 A266 R267 L268 | Y260-A264 HydrophobicContact CE1-CB 4.45Å; Y260-A264 WeakPolarHBondContact O-CB 3.26Å; Y260-A264 PolarHBondContact O-N 2.68Å; M261-A264 PolarHBondContact O-N 3.46Å; A264-A266 PolarHBondContact O-N 3.37Å; A264-R267 PolarHBondContact O-N 3.32Å; A264-L268 WeakPolarHBondContact O-CG 3.16Å; A264-L268 PolarHBondContact O-N 3.13Å |
| 265 | E | 94.6 | Very high | 94.4 | Very high | 73 Ų | 73 | 44.5 Ų | 44.5 | 34% | 0.341 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.9 | -46.9 | 174.3 | -178.6 | 174 | -141.9 | 0 | 0 | 111.9 | M261 K262 K263 R267 L268 L269 R321 L325 | M261-E265 WeakPolarHBondContact O-CB 3.37Å; M261-E265 PolarHBondContact O-N 2.58Å; K262-E265 PolarHBondContact O-N 2.7Å; K263-E265 PolarHBondContact O-N 3.03Å; E265-R267 PolarHBondContact O-N 3.23Å; E265-L268 PolarHBondContact O-N 3.24Å; E265-L269 WeakPolarHBondContact O-CG 3.34Å; E265-L269 PolarHBondContact O-N 3.39Å; E265-L269 VanDerWaalsContact O-N 3.15Å; E265-R321 IonicContact OE2-NE 3.13Å; E265-L325 HydrophobicContact CB-CD2 4.32Å |
| 266 | A | 95.2 | Very high | 94.2 | Very high | 43 Ų | 43 | 48.1 Ų | 48.1 | 36% | 0.355 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.5 | -44.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K262 K263 A264 L269 E270 | K262-A266 WeakPolarHBondContact O-CB 3.26Å; K262-A266 PolarHBondContact O-N 3.43Å; K263-A266 PolarHBondContact O-N 3.13Å; A264-A266 PolarHBondContact O-N 3.37Å; A266-L269 PolarHBondContact O-N 3.18Å; A266-E270 WeakPolarHBondContact O-CG 3.45Å; A266-E270 PolarHBondContact O-N 2.8Å |
| 267 | R | 94.7 | Very high | 94.2 | Very high | 28 Ų | 28 | 48.7 Ų | 48.7 | 11% | 0.106 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.2 | -41.8 | 178.7 | -71.3 | -55.2 | -162.5 | -169.7 | 2.6 | 112.8 | R191 Y244 E247 K263 A264 E265 L269 E270 E271 L295 | R191-R267 PolarHBondContact O-NH1 3.27Å; R191-R267 PolarHBondContact O-NH2 3.5Å; Y244-R267 HydrophobicContact CE1-CB 3.9Å; Y244-R267 HydrophobicContact CE1-CG 3.77Å; E247-R267 IonicContact OE1-CZ 3.82Å; E247-R267 IonicContact OE1-NE 3.74Å; E247-R267 PolarHBondContact OE1-NE 2.86Å; E247-R267 IonicContact OE1-NH2 3.9Å; E247-R267 PolarHBondContact OE1-NH2 3.11Å; E247-R267 IonicContact OE2-CZ 3.25Å; E247-R267 IonicContact OE2-NE 3.59Å; E247-R267 PolarHBondContact OE2-NE 3.12Å; E247-R267 IonicContact OE2-NH2 3.56Å; K263-R267 HydrophobicContact CG-CG 4.47Å; K263-R267 WeakPolarHBondContact O-CG 3.14Å; K263-R267 PolarHBondContact O-N 3.18Å; A264-R267 PolarHBondContact O-N 3.32Å; E265-R267 PolarHBondContact O-N 3.23Å; R267-L269 VanDerWaalsContact C-N 3.31Å; R267-L269 PolarHBondContact O-N 3.22Å; R267-E270 IonicContact CZ-OE2 2.78Å; R267-E270 IonicContact NH1-OE1 3.39Å; R267-E270 IonicContact NH1-OE2 2.76Å; R267-E270 PolarHBondContact NH1-OE2 3.36Å; R267-E270 PolarHBondContact O-N 2.77Å; R267-E271 PolarHBondContact O-N 3.25Å; R267-L295 HydrophobicContact CB-CD1 4.19Å |
| 268 | L | 94.9 | Very high | 93.9 | Very high | 22 Ų | 22 | 48.1 Ų | 48.1 | 12% | 0.115 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.3 | -42.6 | 175.4 | -70.8 | 171.2 | 0 | 0 | 0 | 111.5 | A264 E265 E271 Q272 C291 E292 L295 I296 L325 | A264-L268 WeakPolarHBondContact O-CG 3.16Å; A264-L268 PolarHBondContact O-N 3.13Å; E265-L268 PolarHBondContact O-N 3.24Å; L268-E271 PolarHBondContact O-N 3.27Å; L268-Q272 WeakPolarHBondContact O-CB 3.22Å; L268-Q272 PolarHBondContact O-N 3.32Å; L268-C291 HydrophobicContact CD2-CB 3.61Å; L268-E292 HydrophobicContact CD2-CG 4.22Å; L268-L295 HydrophobicContact CD2-CD1 4.16Å; L268-L295 HydrophobicContact CG-CD1 4.27Å; L268-I296 HydrophobicContact CD1-CD1 4.1Å; L268-L325 HydrophobicContact CD1-CD2 4.07Å |
| 269 | L | 94.6 | Very high | 93.8 | Very high | 77 Ų | 77 | 48.1 Ų | 48.1 | 40% | 0.403 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67.5 | -37.5 | 175.9 | -69.6 | 172.6 | 0 | 0 | 0 | 112.6 | E265 A266 R267 R273 | E265-L269 WeakPolarHBondContact O-CG 3.34Å; E265-L269 PolarHBondContact O-N 3.39Å; E265-L269 VanDerWaalsContact O-N 3.15Å; A266-L269 PolarHBondContact O-N 3.18Å; R267-L269 VanDerWaalsContact C-N 3.31Å; R267-L269 PolarHBondContact O-N 3.22Å; L269-R273 WeakPolarHBondContact O-CG 3.33Å; L269-R273 PolarHBondContact O-N 2.81Å |
| 270 | E | 93.9 | Very high | 93.7 | Very high | 50 Ų | 50 | 46.5 Ų | 46.5 | 23% | 0.234 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.7 | -48.1 | 174.1 | -73.6 | 174.2 | -164.6 | 0 | 0 | 112 | A266 R267 Q272 R273 R274 | A266-E270 WeakPolarHBondContact O-CG 3.45Å; A266-E270 PolarHBondContact O-N 2.8Å; R267-E270 IonicContact CZ-OE2 2.78Å; R267-E270 IonicContact NH1-OE1 3.39Å; R267-E270 IonicContact NH1-OE2 2.76Å; R267-E270 PolarHBondContact NH1-OE2 3.36Å; R267-E270 PolarHBondContact O-N 2.77Å; E270-Q272 VanDerWaalsContact C-N 3.32Å; E270-Q272 PolarHBondContact O-N 2.95Å; E270-R273 VanDerWaalsContact CG-NH2 3.27Å; E270-R273 WeakPolarHBondContact O-CB 3.07Å; E270-R273 PolarHBondContact O-N 2.97Å; E270-R273 VanDerWaalsContact O-N 3.13Å; E270-R274 WeakPolarHBondContact O-CG 3.48Å; E270-R274 PolarHBondContact O-N 3.44Å; E270-R274 IonicContact OE2-CZ 2.77Å; E270-R274 IonicContact OE2-NH1 3.07Å; E270-R274 IonicContact OE2-NH2 2.76Å; E270-R274 PolarHBondContact OE2-NH2 2.96Å |
| 271 | E | 94.4 | Very high | 93.5 | Very high | 5 Ų | 5 | 53.4 Ų | 53.4 | 2% | 0.023 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.2 | -39.4 | 177.5 | -69 | -59.2 | 139.4 | 0 | 0 | 111.9 | R191 Y244 R267 L268 R273 R274 V275 L287 | R191-E271 IonicContact CZ-OE1 3.71Å; R191-E271 IonicContact CZ-OE2 3.56Å; R191-E271 IonicContact NE-OE1 2.76Å; R191-E271 PolarHBondContact NE-OE1 3.42Å; R191-E271 IonicContact NE-OE2 2.75Å; R191-E271 VanDerWaalsContact NH2-CD 3.29Å; R191-E271 IonicContact NH2-OE1 3.41Å; R191-E271 PolarHBondContact NH2-OE1 3.5Å; R191-E271 VanDerWaalsContact NH2-OE1 3.11Å; R191-E271 IonicContact NH2-OE2 3.52Å; R191-E271 PolarHBondContact NH2-OE2 2.61Å; Y244-E271 HydrophobicContact CE2-CG 3.79Å; Y244-E271 WeakPolarHBondContact OH-CG 3.5Å; Y244-E271 PolarHBondContact OH-OE1 3.35Å; R267-E271 PolarHBondContact O-N 3.25Å; L268-E271 PolarHBondContact O-N 3.27Å; E271-R273 VanDerWaalsContact C-N 3.32Å; E271-R273 PolarHBondContact O-N 2.6Å; E271-R274 WeakPolarHBondContact O-CB 3.17Å; E271-R274 PolarHBondContact O-N 3Å; E271-R274 IonicContact OE1-CZ 3.39Å; E271-R274 IonicContact OE1-NE 3.22Å; E271-R274 IonicContact OE1-NH1 2.83Å; E271-R274 PolarHBondContact OE1-NH1 2.77Å; E271-V275 PolarHBondContact O-N 2.94Å; E271-V275 VanDerWaalsContact O-N 3.14Å; E271-L287 HydrophobicContact CB-CD2 4.07Å; E271-L287 HydrophobicContact CB-CG 4.46Å |
| 272 | Q | 93.3 | Very high | 93.2 | Very high | 85 Ų | 85 | 55 Ų | 55 | 40% | 0.397 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.9 | -43.2 | 173.3 | -172.2 | -178.6 | 14.1 | 0 | 0 | 111.7 | L268 E270 V275 Q276 | L268-Q272 WeakPolarHBondContact O-CB 3.22Å; L268-Q272 PolarHBondContact O-N 3.32Å; E270-Q272 VanDerWaalsContact C-N 3.32Å; E270-Q272 PolarHBondContact O-N 2.95Å; Q272-V275 PolarHBondContact O-N 3.18Å; Q272-Q276 WeakPolarHBondContact O-CG 3.48Å; Q272-Q276 PolarHBondContact O-N 3.01Å |
| 273 | R | 93.3 | Very high | 93.1 | Very high | 129 Ų | 129 | 51.1 Ų | 51.1 | 49% | 0.487 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.1 | -39.4 | 175.3 | -74.5 | -170.6 | -63 | -92.8 | 2.5 | 112.2 | L269 E270 E271 V275 Q276 V277 | L269-R273 WeakPolarHBondContact O-CG 3.33Å; L269-R273 PolarHBondContact O-N 2.81Å; E270-R273 VanDerWaalsContact CG-NH2 3.27Å; E270-R273 WeakPolarHBondContact O-CB 3.07Å; E270-R273 PolarHBondContact O-N 2.97Å; E270-R273 VanDerWaalsContact O-N 3.13Å; E271-R273 VanDerWaalsContact C-N 3.32Å; E271-R273 PolarHBondContact O-N 2.6Å; R273-V275 VanDerWaalsContact C-N 3.26Å; R273-V275 PolarHBondContact O-N 3.34Å; R273-Q276 PolarHBondContact O-N 3.13Å; R273-Q276 VanDerWaalsContact O-N 3.1Å; R273-V277 VanDerWaalsContact O-CG2 3.29Å; R273-V277 WeakPolarHBondContact O-CG2 3.25Å; R273-V277 PolarHBondContact O-N 3.34Å |
| 274 | R | 92.8 | Very high | 93 | Very high | 14 Ų | 14 | 51.7 Ų | 51.7 | 5% | 0.053 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.2 | -42.1 | 177.1 | -72.6 | 177.6 | 179.9 | 102 | 16.2 | 111.4 | E190 E270 E271 Q276 V277 Y278 | E190-R274 IonicContact OE2-CZ 3.4Å; E190-R274 IonicContact OE2-NE 2.88Å; E190-R274 PolarHBondContact OE2-NE 2.68Å; E190-R274 IonicContact OE2-NH2 3.55Å; E270-R274 WeakPolarHBondContact O-CG 3.48Å; E270-R274 PolarHBondContact O-N 3.44Å; E270-R274 IonicContact OE2-CZ 2.77Å; E270-R274 IonicContact OE2-NH1 3.07Å; E270-R274 IonicContact OE2-NH2 2.76Å; E270-R274 PolarHBondContact OE2-NH2 2.96Å; E271-R274 WeakPolarHBondContact O-CB 3.17Å; E271-R274 PolarHBondContact O-N 3Å; E271-R274 IonicContact OE1-CZ 3.39Å; E271-R274 IonicContact OE1-NE 3.22Å; E271-R274 IonicContact OE1-NH1 2.83Å; E271-R274 PolarHBondContact OE1-NH1 2.77Å; R274-Q276 PolarHBondContact O-N 2.94Å; R274-V277 PolarHBondContact O-N 2.98Å; R274-Y278 HydrophobicContact CB-CE1 4.28Å; R274-Y278 HydrophobicContact CB-CE2 4.37Å; R274-Y278 WeakPolarHBondContact CD-OH 3.37Å; R274-Y278 HydrophobicContact CG-CE1 4.24Å; R274-Y278 VanDerWaalsContact CG-OH 3.23Å; R274-Y278 WeakPolarHBondContact CG-OH 3.31Å; R274-Y278 PolarHBondContact O-N 2.65Å; R274-Y278 VanDerWaalsContact O-N 3.14Å |
| 275 | V | 93.1 | Very high | 92.8 | Very high | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.9 | -46.4 | 175.8 | 179.6 | 0 | 0 | 0 | 0 | 111.4 | E271 Q272 R273 V277 L279 Q284 L287 | E271-V275 PolarHBondContact O-N 2.94Å; E271-V275 VanDerWaalsContact O-N 3.14Å; Q272-V275 PolarHBondContact O-N 3.18Å; R273-V275 VanDerWaalsContact C-N 3.26Å; R273-V275 PolarHBondContact O-N 3.34Å; V275-V277 VanDerWaalsContact C-N 3.32Å; V275-V277 PolarHBondContact O-N 3.02Å; V275-L279 HydrophobicContact CG1-CB 4.41Å; V275-L279 HydrophobicContact CG2-CD1 3.9Å; V275-L279 PolarHBondContact O-N 3.23Å; V275-L279 VanDerWaalsContact O-O 3.11Å; V275-Q284 HydrophobicContact CG1-CB 3.97Å; V275-Q284 HydrophobicContact CG1-CG 4.49Å; V275-L287 HydrophobicContact CG2-CD2 3.54Å |
| 276 | Q | 91.4 | Very high | 92.8 | Very high | 135 Ų | 135 | 56.7 Ų | 56.7 | 63% | 0.631 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -65.8 | -30.8 | -179.5 | -67 | 173.7 | 0.5 | 0 | 0 | 113.8 | Q272 R273 R274 | Q272-Q276 WeakPolarHBondContact O-CG 3.48Å; Q272-Q276 PolarHBondContact O-N 3.01Å; R273-Q276 PolarHBondContact O-N 3.13Å; R273-Q276 VanDerWaalsContact O-N 3.1Å; R274-Q276 PolarHBondContact O-N 2.94Å |
| 277 | V | 91.8 | Very high | 92.7 | Very high | 90 Ų | 90 | 54.8 Ų | 54.8 | 55% | 0.545 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -84.2 | -43.4 | -175.2 | 177.4 | 0 | 0 | 0 | 0 | 112 | T198 R273 R274 V275 | T198-V277 HydrophobicContact CG2-CG1 4.3Å; R273-V277 VanDerWaalsContact O-CG2 3.29Å; R273-V277 WeakPolarHBondContact O-CG2 3.25Å; R273-V277 PolarHBondContact O-N 3.34Å; R274-V277 PolarHBondContact O-N 2.98Å; V275-V277 VanDerWaalsContact C-N 3.32Å; V275-V277 PolarHBondContact O-N 3.02Å |
| 278 | Y | 89.7 | Confident | 92.7 | Very high | 6 Ų | 6 | 55.2 Ų | 55.2 | 2% | 0.024 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -148.3 | -1.6 | -169.2 | 59.6 | -109.7 | 0 | 0 | 0 | 117.1 | I187 E190 T198 I201 R274 | I187-Y278 HydrophobicContact CD1-CE2 4.18Å; I187-Y278 HydrophobicContact CG1-CE2 4.23Å; E190-Y278 PolarHBondContact OE2-OH 3.25Å; E190-Y278 VanDerWaalsContact OE2-OH 3.08Å; T198-Y278 HydrophobicContact CG2-CD1 3.97Å; T198-Y278 HydrophobicContact CG2-CE1 4.24Å; I201-Y278 HydrophobicContact CB-CD2 4.14Å; I201-Y278 HydrophobicContact CB-CG 4.29Å; I201-Y278 HydrophobicContact CD1-CD2 4.49Å; I201-Y278 HydrophobicContact CD1-CE2 4.25Å; I201-Y278 HydrophobicContact CG2-CD2 3.37Å; I201-Y278 HydrophobicContact CG2-CE2 3.86Å; I201-Y278 HydrophobicContact CG2-CG 3.98Å; R274-Y278 HydrophobicContact CB-CE1 4.28Å; R274-Y278 HydrophobicContact CB-CE2 4.37Å; R274-Y278 WeakPolarHBondContact CD-OH 3.37Å; R274-Y278 HydrophobicContact CG-CE1 4.24Å; R274-Y278 VanDerWaalsContact CG-OH 3.23Å; R274-Y278 WeakPolarHBondContact CG-OH 3.31Å; R274-Y278 PolarHBondContact O-N 2.65Å; R274-Y278 VanDerWaalsContact O-N 3.14Å |
| 279 | L | 92.1 | Very high | 92.6 | Very high | 17 Ų | 17 | 61.3 Ų | 61.3 | 9% | 0.089 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -101.5 | 169.7 | 174.9 | -50.9 | 172.6 | 0 | 0 | 0 | 111.4 | V205 F232 F236 V275 | V205-L279 HydrophobicContact CG2-CD2 4.37Å; F232-L279 HydrophobicContact CE1-CD2 3.69Å; F232-L279 HydrophobicContact CZ-CD2 3.73Å; F236-L279 HydrophobicContact CE1-CD1 3.78Å; F236-L279 HydrophobicContact CZ-CD1 3.72Å; V275-L279 HydrophobicContact CG1-CB 4.41Å; V275-L279 HydrophobicContact CG2-CD1 3.9Å; V275-L279 PolarHBondContact O-N 3.23Å; V275-L279 VanDerWaalsContact O-O 3.11Å |
| 280 | H | 91.4 | Very high | 92.6 | Very high | 47 Ų | 47 | 60.9 Ų | 60.9 | 22% | 0.218 | 29% | 0.291 | C | S | . | . | trans | -77.9 | 142.9 | 173.4 | -168.7 | -94.6 | 0 | 0 | 0 | 110.9 | V209 Y228 S282 T283 | V209-H280 HydrophobicContact CG2-CB 4.43Å; Y228-H280 HydrophobicContact CD1-CB 4.39Å; Y228-H280 HydrophobicContact CE1-CB 3.8Å; Y228-H280 HydrophobicContact CE2-CB 4.25Å; Y228-H280 PolarHBondContact OH-N 3.03Å; H280-S282 WeakPolarHBondContact ND1-CB 3.22Å; H280-S282 PolarHBondContact ND1-N 3.1Å; H280-S282 PolarHBondContact ND1-OG 3.5Å; H280-S282 PolarHBondContact O-N 3.27Å; H280-S282 VanDerWaalsContact O-N 3.13Å; H280-T283 WeakPolarHBondContact O-CB 3.46Å; H280-T283 PolarHBondContact O-N 2.62Å; H280-T283 PolarHBondContact O-OG1 3.09Å | ||
| 281 | E | 91 | Very high | 92.7 | Very high | 150 Ų | 150 | 58.6 Ų | 58.6 | 70% | 0.701 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -29.6 | -177.4 | 62.1 | -178 | -176.6 | 0 | 0 | 113.6 | T283 Q284 | E281-T283 PolarHBondContact O-N 2.82Å; E281-T283 VanDerWaalsContact O-N 3.13Å; E281-Q284 VanDerWaalsContact O-CB 3.26Å; E281-Q284 WeakPolarHBondContact O-CB 3.23Å; E281-Q284 PolarHBondContact O-N 3.28Å; E281-Q284 VanDerWaalsContact O-N 3.08Å |
| 282 | S | 90 | Very high | 92.7 | Very high | 34 Ų | 34 | 59.8 Ų | 59.8 | 24% | 0.238 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -23.5 | 177.1 | 65.7 | 0 | 0 | 0 | 0 | 113.9 | H280 Q284 | H280-S282 WeakPolarHBondContact ND1-CB 3.22Å; H280-S282 PolarHBondContact ND1-N 3.1Å; H280-S282 PolarHBondContact ND1-OG 3.5Å; H280-S282 PolarHBondContact O-N 3.27Å; H280-S282 VanDerWaalsContact O-N 3.13Å; S282-Q284 VanDerWaalsContact C-N 3.3Å |
| 283 | T | 92.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -78.3 | -17.5 | -179.5 | -54.6 | 0 | 0 | 0 | 0 | 112 | Y228 E233 F236 H280 E281 D285 E286 L287 | Y228-T283 VanDerWaalsContact CE1-OG1 3.26Å; Y228-T283 WeakPolarHBondContact CE1-OG1 3.34Å; Y228-T283 PolarHBondContact OH-OG1 2.81Å; E233-T283 HydrophobicContact CG-CG2 4.15Å; E233-T283 WeakPolarHBondContact OE1-CA 3.31Å; E233-T283 VanDerWaalsContact OE1-CB 3.26Å; E233-T283 WeakPolarHBondContact OE1-CB 3.42Å; E233-T283 PolarHBondContact OE1-N 3.43Å; E233-T283 PolarHBondContact OE1-OG1 3.5Å; F236-T283 HydrophobicContact CD1-CG2 4.16Å; F236-T283 HydrophobicContact CE1-CG2 3.96Å; H280-T283 WeakPolarHBondContact O-CB 3.46Å; H280-T283 PolarHBondContact O-N 2.62Å; H280-T283 PolarHBondContact O-OG1 3.09Å; E281-T283 PolarHBondContact O-N 2.82Å; E281-T283 VanDerWaalsContact O-N 3.13Å; T283-D285 PolarHBondContact O-N 2.67Å; T283-E286 PolarHBondContact O-N 2.91Å; T283-L287 HydrophobicContact CG2-CB 4.13Å; T283-L287 WeakPolarHBondContact O-CB 3.28Å; T283-L287 PolarHBondContact O-N 3.49Å |
| 284 | Q | 92.6 | Very high | 92.7 | Very high | 72 Ų | 72 | 52.8 Ų | 52.8 | 34% | 0.336 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -55.2 | -52.7 | -173.6 | -169.6 | 171.3 | -26.8 | 0 | 0 | 112.3 | V275 E281 S282 A288 | V275-Q284 HydrophobicContact CG1-CB 3.97Å; V275-Q284 HydrophobicContact CG1-CG 4.49Å; E281-Q284 VanDerWaalsContact O-CB 3.26Å; E281-Q284 WeakPolarHBondContact O-CB 3.23Å; E281-Q284 PolarHBondContact O-N 3.28Å; E281-Q284 VanDerWaalsContact O-N 3.08Å; S282-Q284 VanDerWaalsContact C-N 3.3Å; Q284-A288 WeakPolarHBondContact O-CB 3.47Å; Q284-A288 PolarHBondContact O-N 3.09Å |
| 285 | D | 92.4 | Very high | 92.8 | Very high | 114 Ų | 114 | 52.3 Ų | 52.3 | 61% | 0.61 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -75.5 | -32.9 | -173.5 | -63.4 | -28.8 | 0 | 0 | 0 | 113 | T283 R289 | T283-D285 PolarHBondContact O-N 2.67Å; D285-R289 WeakPolarHBondContact O-CB 3.43Å; D285-R289 WeakPolarHBondContact O-CG 3.42Å; D285-R289 PolarHBondContact O-N 3.03Å; D285-R289 PolarHBondContact O-NE 3.03Å; D285-R289 VanDerWaalsContact O-NE 3.11Å |
| 286 | E | 92.9 | Very high | 92.9 | Very high | 66 Ų | 66 | 52 Ų | 52 | 31% | 0.308 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -72.6 | -42.1 | 175.8 | -78.1 | -177.6 | -161.6 | 0 | 0 | 111.5 | K229 L237 T283 R289 K290 | K229-E286 IonicContact NZ-OE1 2.88Å; L237-E286 HydrophobicContact CD1-CB 4.03Å; T283-E286 PolarHBondContact O-N 2.91Å; E286-R289 VanDerWaalsContact CG-NH2 3.25Å; E286-K290 WeakPolarHBondContact O-CB 3.49Å; E286-K290 WeakPolarHBondContact O-CG 3.4Å; E286-K290 PolarHBondContact O-N 3.36Å |
| 287 | L | 94.5 | Very high | 93 | Very high | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.4 | -45.9 | 175.6 | 178.8 | 63.6 | 0 | 0 | 0 | 111.7 | F236 L237 T240 E271 V275 T283 R289 K290 C291 | F236-L287 HydrophobicContact CE1-CD1 3.72Å; F236-L287 HydrophobicContact CE1-CD2 3.93Å; F236-L287 HydrophobicContact CE1-CG 4.31Å; F236-L287 HydrophobicContact CZ-CD1 3.93Å; F236-L287 HydrophobicContact CZ-CD2 4.02Å; L237-L287 HydrophobicContact CD2-CB 3.92Å; L237-L287 HydrophobicContact CD2-CD1 3.96Å; T240-L287 HydrophobicContact CG2-CD1 3.77Å; E271-L287 HydrophobicContact CB-CD2 4.07Å; E271-L287 HydrophobicContact CB-CG 4.46Å; V275-L287 HydrophobicContact CG2-CD2 3.54Å; T283-L287 HydrophobicContact CG2-CB 4.13Å; T283-L287 WeakPolarHBondContact O-CB 3.28Å; T283-L287 PolarHBondContact O-N 3.49Å; L287-R289 PolarHBondContact O-N 3.27Å; L287-K290 PolarHBondContact O-N 2.93Å; L287-C291 WeakPolarHBondContact O-CB 3.28Å; L287-C291 PolarHBondContact O-N 2.93Å; L287-C291 PolarHBondContact O-SG 3.06Å |
| 288 | A | 93.9 | Very high | 93 | Very high | 36 Ų | 36 | 50.5 Ų | 50.5 | 30% | 0.298 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.3 | -51.3 | 178 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q284 K290 C291 E292 | Q284-A288 WeakPolarHBondContact O-CB 3.47Å; Q284-A288 PolarHBondContact O-N 3.09Å; A288-K290 VanDerWaalsContact C-N 3.32Å; A288-K290 PolarHBondContact O-N 3.23Å; A288-C291 PolarHBondContact O-N 3.33Å; A288-C291 VanDerWaalsContact O-N 3.17Å; A288-E292 WeakPolarHBondContact O-CB 3.42Å; A288-E292 VanDerWaalsContact O-CG 3.25Å; A288-E292 WeakPolarHBondContact O-CG 3.2Å; A288-E292 PolarHBondContact O-N 3.29Å |
| 289 | R | 93.9 | Very high | 93.2 | Very high | 151 Ų | 151 | 51.2 Ų | 51.2 | 57% | 0.57 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -58 | -42 | 176.9 | -79.5 | -177.2 | -70.6 | 141.2 | -7.2 | 112.8 | D285 E286 L287 E292 Q293 | D285-R289 WeakPolarHBondContact O-CB 3.43Å; D285-R289 WeakPolarHBondContact O-CG 3.42Å; D285-R289 PolarHBondContact O-N 3.03Å; D285-R289 PolarHBondContact O-NE 3.03Å; D285-R289 VanDerWaalsContact O-NE 3.11Å; E286-R289 VanDerWaalsContact CG-NH2 3.25Å; L287-R289 PolarHBondContact O-N 3.27Å; R289-E292 PolarHBondContact O-N 3.45Å; R289-Q293 VanDerWaalsContact O-CB 3.29Å; R289-Q293 WeakPolarHBondContact O-CB 3.47Å; R289-Q293 PolarHBondContact O-N 2.94Å |
| 290 | K | 94.1 | Very high | 93.2 | Very high | 67 Ų | 67 | 51.7 Ų | 51.7 | 29% | 0.291 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.8 | -40.9 | 177.5 | -80.6 | -68 | -173.1 | 176.3 | 0 | 112.5 | E241 E286 L287 A288 V294 | E241-K290 IonicContact OE2-NZ 3.73Å; E241-K290 PolarHBondContact OE2-NZ 3.13Å; E286-K290 WeakPolarHBondContact O-CB 3.49Å; E286-K290 WeakPolarHBondContact O-CG 3.4Å; E286-K290 PolarHBondContact O-N 3.36Å; L287-K290 PolarHBondContact O-N 2.93Å; A288-K290 VanDerWaalsContact C-N 3.32Å; A288-K290 PolarHBondContact O-N 3.23Å; K290-V294 WeakPolarHBondContact O-CB 3.45Å; K290-V294 VanDerWaalsContact O-CG2 3.23Å; K290-V294 WeakPolarHBondContact O-CG2 3.33Å; K290-V294 PolarHBondContact O-N 3.44Å; K290-V294 VanDerWaalsContact O-N 3.11Å |
| 291 | C | 94.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.014 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.6 | -43.2 | 176.2 | -63.8 | 0 | 0 | 0 | 0 | 111.4 | L268 L287 A288 V294 L295 | L268-C291 HydrophobicContact CD2-CB 3.61Å; L287-C291 WeakPolarHBondContact O-CB 3.28Å; L287-C291 PolarHBondContact O-N 2.93Å; L287-C291 PolarHBondContact O-SG 3.06Å; A288-C291 PolarHBondContact O-N 3.33Å; A288-C291 VanDerWaalsContact O-N 3.17Å; C291-V294 PolarHBondContact O-N 3.11Å; C291-L295 HydrophobicContact CB-CD1 4.33Å; C291-L295 WeakPolarHBondContact O-CB 3.26Å; C291-L295 WeakPolarHBondContact O-CG 3.38Å; C291-L295 PolarHBondContact O-N 3.49Å |
| 292 | E | 94.2 | Very high | 93.3 | Very high | 31 Ų | 31 | 53.3 Ų | 53.3 | 15% | 0.145 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 176.9 | -72.8 | 169.2 | 169.2 | 0 | 0 | 111.5 | L268 A288 R289 V294 I296 E297 R328 I329 | L268-E292 HydrophobicContact CD2-CG 4.22Å; A288-E292 WeakPolarHBondContact O-CB 3.42Å; A288-E292 VanDerWaalsContact O-CG 3.25Å; A288-E292 WeakPolarHBondContact O-CG 3.2Å; A288-E292 PolarHBondContact O-N 3.29Å; R289-E292 PolarHBondContact O-N 3.45Å; E292-V294 PolarHBondContact O-N 2.83Å; E292-I296 HydrophobicContact CG-CD1 4.39Å; E292-I296 WeakPolarHBondContact O-CA 3.19Å; E292-I296 VanDerWaalsContact O-CB 3.28Å; E292-I296 WeakPolarHBondContact O-CB 3.2Å; E292-I296 PolarHBondContact O-N 3.17Å; E292-E297 PolarHBondContact O-N 3.04Å; E292-R328 HydrophobicContact CG-CB 4.33Å; E292-R328 IonicContact OE1-NH1 3.44Å; E292-I329 HydrophobicContact CB-CD1 3.82Å |
| 293 | Q | 93.4 | Very high | 93.5 | Very high | 67 Ų | 67 | 51.7 Ų | 51.7 | 31% | 0.313 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.1 | -47.1 | 174.5 | 174.1 | 168.2 | 58.5 | 0 | 0 | 112 | R289 E297 K298 | R289-Q293 VanDerWaalsContact O-CB 3.29Å; R289-Q293 WeakPolarHBondContact O-CB 3.47Å; R289-Q293 PolarHBondContact O-N 2.94Å; Q293-E297 WeakPolarHBondContact CG-OE2 3.24Å; Q293-E297 WeakPolarHBondContact O-CB 3.44Å; Q293-E297 PolarHBondContact O-N 3.3Å; Q293-K298 WeakPolarHBondContact O-CG 3.13Å; Q293-K298 PolarHBondContact O-N 2.84Å |
| 294 | V | 94.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -79.3 | -40.4 | -172.8 | 174.1 | 0 | 0 | 0 | 0 | 112.7 | E241 Y244 T245 K290 C291 E292 H299 | E241-V294 HydrophobicContact CB-CG2 4.11Å; E241-V294 HydrophobicContact CG-CG2 3.68Å; Y244-V294 VanDerWaalsContact C-CG1 3.49Å; T245-V294 VanDerWaalsContact N-CG1 3.26Å; T245-V294 VanDerWaalsContact OG1-CG1 3.28Å; T245-V294 WeakPolarHBondContact OG1-CG1 3.48Å; K290-V294 WeakPolarHBondContact O-CB 3.45Å; K290-V294 VanDerWaalsContact O-CG2 3.23Å; K290-V294 WeakPolarHBondContact O-CG2 3.33Å; K290-V294 PolarHBondContact O-N 3.44Å; K290-V294 VanDerWaalsContact O-N 3.11Å; C291-V294 PolarHBondContact O-N 3.11Å; E292-V294 PolarHBondContact O-N 2.83Å; V294-H299 PolarHBondContact O-CD2 3.34Å |
| 295 | L | 94.6 | Very high | 93.5 | Very high | 3 Ų | 3 | 54.6 Ų | 54.6 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -85.3 | -27.9 | -175.6 | -65.4 | 172.7 | 0 | 0 | 0 | 112.6 | Y244 Y260 R267 L268 C291 | Y244-L295 HydrophobicContact CD1-CD1 4.4Å; Y244-L295 HydrophobicContact CD1-CD2 3.87Å; Y244-L295 HydrophobicContact CG-CD1 4.46Å; Y244-L295 HydrophobicContact CG-CD2 4.06Å; Y244-L295 HydrophobicContact CG-CG 4.37Å; Y260-L295 WeakPolarHBondContact CE1-O 3.25Å; Y260-L295 WeakPolarHBondContact OH-CA 3.4Å; Y260-L295 PolarHBondContact OH-O 2.88Å; R267-L295 HydrophobicContact CB-CD1 4.19Å; L268-L295 HydrophobicContact CD2-CD1 4.16Å; L268-L295 HydrophobicContact CG-CD1 4.27Å; C291-L295 HydrophobicContact CB-CD1 4.33Å; C291-L295 WeakPolarHBondContact O-CB 3.26Å; C291-L295 WeakPolarHBondContact O-CG 3.38Å; C291-L295 PolarHBondContact O-N 3.49Å |
| 296 | I | 94.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118 | -61.3 | -173.7 | -53.4 | 162 | 0 | 0 | 0 | 110.3 | L268 E292 K298 H299 L300 F303 L325 V326 I329 | L268-I296 HydrophobicContact CD1-CD1 4.1Å; E292-I296 HydrophobicContact CG-CD1 4.39Å; E292-I296 WeakPolarHBondContact O-CA 3.19Å; E292-I296 VanDerWaalsContact O-CB 3.28Å; E292-I296 WeakPolarHBondContact O-CB 3.2Å; E292-I296 PolarHBondContact O-N 3.17Å; I296-K298 PolarHBondContact O-N 2.8Å; I296-H299 CarbonylContact O-C 3.59Å; I296-H299 PolarHBondContact O-N 3.32Å; I296-L300 HydrophobicContact CG2-CD2 4.19Å; I296-L300 PolarHBondContact O-N 3.25Å; I296-F303 HydrophobicContact CG2-CE2 4.1Å; I296-L325 HydrophobicContact CD1-CB 4.19Å; I296-L325 HydrophobicContact CD1-CD2 4.2Å; I296-L325 HydrophobicContact CG1-CB 4.49Å; I296-V326 HydrophobicContact CG2-CG2 4.33Å; I296-I329 HydrophobicContact CB-CD1 4.2Å; I296-I329 HydrophobicContact CB-CG1 4.15Å; I296-I329 HydrophobicContact CG2-CD1 4.33Å; I296-I329 HydrophobicContact CG2-CG1 3.73Å |
| 297 | E | 93.2 | Very high | 93.7 | Very high | 92 Ų | 92 | 47.9 Ų | 47.9 | 43% | 0.43 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -58.6 | -46 | -170.3 | -164.6 | -176.5 | 179.7 | 0 | 0 | 112.8 | E292 Q293 H299 L300 I329 | E292-E297 PolarHBondContact O-N 3.04Å; Q293-E297 WeakPolarHBondContact CG-OE2 3.24Å; Q293-E297 WeakPolarHBondContact O-CB 3.44Å; Q293-E297 PolarHBondContact O-N 3.3Å; E297-H299 PolarHBondContact O-N 3.01Å; E297-H299 VanDerWaalsContact O-N 3.14Å; E297-L300 HydrophobicContact CG-CD1 4.22Å; E297-L300 WeakPolarHBondContact O-CG 2.83Å; E297-L300 PolarHBondContact O-N 3.06Å; E297-I329 HydrophobicContact CB-CD1 4.23Å; E297-I329 HydrophobicContact CG-CG2 4.26Å |
| 298 | K | 92.9 | Very high | 93.7 | Very high | 103 Ų | 103 | 50.1 Ų | 50.1 | 45% | 0.448 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -62.7 | -19.4 | 178.1 | -72.4 | -176.2 | -171.2 | 176.6 | 0 | 114 | E241 Q293 I296 | E241-K298 IonicContact OE1-NZ 3.02Å; E241-K298 PolarHBondContact OE1-NZ 3.4Å; Q293-K298 WeakPolarHBondContact O-CG 3.13Å; Q293-K298 PolarHBondContact O-N 2.84Å; I296-K298 PolarHBondContact O-N 2.8Å |
| 299 | H | 93.2 | Very high | 93.7 | Very high | 21 Ų | 21 | 52.2 Ų | 52.2 | 10% | 0.097 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -115.4 | 13.2 | -174.9 | -58.4 | -63 | 0 | 0 | 0 | 113.1 | S248 L252 Y260 V294 I296 E297 E301 I302 F303 | S248-H299 WeakPolarHBondContact CB-NE2 3.13Å; S248-H299 PolarHBondContact OG-NE2 3.33Å; L252-H299 HydrophobicContact CD1-CB 4.22Å; Y260-H299 PolarHBondContact OH-CD2 3.16Å; V294-H299 PolarHBondContact O-CD2 3.34Å; I296-H299 CarbonylContact O-C 3.59Å; I296-H299 PolarHBondContact O-N 3.32Å; E297-H299 PolarHBondContact O-N 3.01Å; E297-H299 VanDerWaalsContact O-N 3.14Å; H299-E301 VanDerWaalsContact C-N 3.29Å; H299-E301 PolarHBondContact O-N 3.31Å; H299-I302 HydrophobicContact CB-CD1 4.5Å; H299-I302 WeakPolarHBondContact O-CB 3.43Å; H299-I302 PolarHBondContact O-N 2.92Å; H299-I302 VanDerWaalsContact O-N 3.11Å; H299-F303 HydrophobicContact CB-CE1 4.31Å; H299-F303 WeakPolarHBondContact O-CD1 3.41Å; H299-F303 PolarHBondContact O-N 3.11Å |
| 300 | L | 92.1 | Very high | 93.8 | Very high | 27 Ų | 27 | 45.1 Ų | 45.1 | 14% | 0.141 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.6 | -36.6 | -176.4 | -80 | 172.7 | 0 | 0 | 0 | 113.6 | I296 E297 I302 F303 H304 V326 I329 | I296-L300 HydrophobicContact CG2-CD2 4.19Å; I296-L300 PolarHBondContact O-N 3.25Å; E297-L300 HydrophobicContact CG-CD1 4.22Å; E297-L300 WeakPolarHBondContact O-CG 2.83Å; E297-L300 PolarHBondContact O-N 3.06Å; L300-I302 VanDerWaalsContact C-N 3.3Å; L300-I302 PolarHBondContact O-N 2.88Å; L300-F303 CarbonylContact O-C 3.55Å; L300-F303 WeakPolarHBondContact O-CB 3.28Å; L300-F303 PolarHBondContact O-N 3.46Å; L300-F303 VanDerWaalsContact O-N 3.11Å; L300-H304 PolarHBondContact O-CD2 3.5Å; L300-H304 VanDerWaalsContact O-CD2 3.24Å; L300-H304 PolarHBondContact O-N 3.34Å; L300-V326 HydrophobicContact CD2-CG1 3.97Å; L300-V326 HydrophobicContact CD2-CG2 4.01Å; L300-I329 HydrophobicContact CD1-CG2 4.46Å |
| 301 | E | 91.6 | Very high | 93.8 | Very high | 164 Ų | 164 | 42 Ų | 42 | 77% | 0.766 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -63 | -37.4 | 178.5 | -64.2 | -171.7 | 165.3 | 0 | 0 | 112.7 | H299 F303 H304 T305 | H299-E301 VanDerWaalsContact C-N 3.29Å; H299-E301 PolarHBondContact O-N 3.31Å; E301-F303 VanDerWaalsContact C-N 3.32Å; E301-H304 PolarHBondContact O-N 3.23Å; E301-T305 PolarHBondContact O-N 3.11Å; E301-T305 VanDerWaalsContact O-N 3.1Å; E301-T305 PolarHBondContact O-OG1 3.01Å |
| 302 | I | 93.4 | Very high | 93.7 | Very high | 67 Ų | 67 | 46.1 Ų | 46.1 | 34% | 0.344 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.5 | -40.6 | 175.1 | -59.2 | 172.8 | 0 | 0 | 0 | 109.2 | L252 V257 H299 L300 T305 E306 | L252-I302 HydrophobicContact CD1-CD1 4.13Å; V257-I302 HydrophobicContact CG1-CG2 4.39Å; V257-I302 HydrophobicContact CG2-CG2 3.45Å; V257-I302 VanDerWaalsContact CG2-CG2 3.45Å; H299-I302 HydrophobicContact CB-CD1 4.5Å; H299-I302 WeakPolarHBondContact O-CB 3.43Å; H299-I302 PolarHBondContact O-N 2.92Å; H299-I302 VanDerWaalsContact O-N 3.11Å; L300-I302 VanDerWaalsContact C-N 3.3Å; L300-I302 PolarHBondContact O-N 2.88Å; I302-T305 PolarHBondContact O-N 3.23Å; I302-E306 WeakPolarHBondContact O-CB 3.48Å; I302-E306 PolarHBondContact O-N 3.35Å |
| 303 | F | 93.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.2 | -41.5 | 177.6 | -75.4 | 27.7 | 0 | 0 | 0 | 110.9 | V257 Y260 M261 I296 H299 L300 E301 T305 E306 F307 M322 L325 V326 | V257-F303 HydrophobicContact CG1-CD1 4.07Å; V257-F303 HydrophobicContact CG1-CE1 4.22Å; Y260-F303 AromaticContact CD1-CE1 3.76Å; Y260-F303 HydrophobicContact CD1-CE1 3.76Å; Y260-F303 AromaticContact CD1-CZ 3.98Å; Y260-F303 HydrophobicContact CD1-CZ 3.98Å; Y260-F303 AromaticContact CE1-CE1 3.68Å; Y260-F303 HydrophobicContact CE1-CE1 3.68Å; Y260-F303 AromaticContact CE1-CZ 3.73Å; Y260-F303 HydrophobicContact CE1-CZ 3.73Å; M261-F303 HydrophobicContact CG-CE2 4.35Å; M261-F303 HydrophobicContact CG-CZ 4.12Å; I296-F303 HydrophobicContact CG2-CE2 4.1Å; H299-F303 HydrophobicContact CB-CE1 4.31Å; H299-F303 WeakPolarHBondContact O-CD1 3.41Å; H299-F303 PolarHBondContact O-N 3.11Å; L300-F303 CarbonylContact O-C 3.55Å; L300-F303 WeakPolarHBondContact O-CB 3.28Å; L300-F303 PolarHBondContact O-N 3.46Å; L300-F303 VanDerWaalsContact O-N 3.11Å; E301-F303 VanDerWaalsContact C-N 3.32Å; F303-T305 VanDerWaalsContact C-N 3.34Å; F303-T305 PolarHBondContact O-N 3.03Å; F303-E306 PolarHBondContact O-N 3.36Å; F303-F307 VanDerWaalsContact O-CB 3.27Å; F303-F307 WeakPolarHBondContact O-CB 3.47Å; F303-F307 PolarHBondContact O-N 3.4Å; F303-M322 HydrophobicContact CB-CE 4.31Å; F303-M322 HydrophobicContact CB-SD 4.15Å; F303-M322 HydrophobicContact CD2-CG 4.17Å; F303-M322 WeakPolarHBondContact O-CE 3.32Å; F303-M322 VanDerWaalsContact O-SD 3.4Å; F303-L325 HydrophobicContact CE2-CD1 4.38Å; F303-V326 HydrophobicContact CD2-CG2 3.76Å; F303-V326 HydrophobicContact CE2-CG2 4.41Å |
| 304 | H | 93.1 | Very high | 93.5 | Very high | 40 Ų | 40 | 48 Ų | 48 | 19% | 0.185 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.2 | -43.9 | 176 | -62.9 | 165.1 | 0 | 0 | 0 | 112 | L300 E301 F307 Q308 L339 | L300-H304 PolarHBondContact O-CD2 3.5Å; L300-H304 VanDerWaalsContact O-CD2 3.24Å; L300-H304 PolarHBondContact O-N 3.34Å; E301-H304 PolarHBondContact O-N 3.23Å; H304-F307 WeakPolarHBondContact O-CB 3.44Å; H304-F307 PolarHBondContact O-N 3.18Å; H304-Q308 PolarHBondContact O-N 2.97Å; H304-L339 HydrophobicContact CB-CD1 4.06Å; H304-L339 VanDerWaalsContact O-CD1 3.32Å; H304-L339 WeakPolarHBondContact O-CD1 3.32Å |
| 305 | T | 92.8 | Very high | 93.5 | Very high | 93 Ų | 93 | 52.8 Ų | 52.8 | 57% | 0.571 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -65.3 | -46.4 | 178.6 | -54.4 | 0 | 0 | 0 | 0 | 110.8 | E301 I302 F303 F307 Q308 N309 | E301-T305 PolarHBondContact O-N 3.11Å; E301-T305 VanDerWaalsContact O-N 3.1Å; E301-T305 PolarHBondContact O-OG1 3.01Å; I302-T305 PolarHBondContact O-N 3.23Å; F303-T305 VanDerWaalsContact C-N 3.34Å; F303-T305 PolarHBondContact O-N 3.03Å; T305-F307 VanDerWaalsContact C-N 3.33Å; T305-F307 PolarHBondContact O-N 3.27Å; T305-Q308 PolarHBondContact O-N 3.36Å; T305-N309 PolarHBondContact O-N 2.97Å |
| 306 | E | 94.5 | Very high | 93.4 | Very high | 38 Ų | 38 | 55.9 Ų | 55.9 | 18% | 0.178 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.1 | -33.3 | 178.8 | -172.6 | 67.9 | 177.6 | 0 | 0 | 112.3 | V257 I302 F303 Q308 N309 L310 M322 | V257-E306 HydrophobicContact CB-CB 4.09Å; V257-E306 HydrophobicContact CB-CG 3.79Å; V257-E306 HydrophobicContact CG1-CB 3.95Å; V257-E306 HydrophobicContact CG1-CG 3.94Å; V257-E306 HydrophobicContact CG2-CB 4.27Å; V257-E306 HydrophobicContact CG2-CG 4.36Å; I302-E306 WeakPolarHBondContact O-CB 3.48Å; I302-E306 PolarHBondContact O-N 3.35Å; F303-E306 PolarHBondContact O-N 3.36Å; E306-Q308 PolarHBondContact O-N 3.37Å; E306-N309 WeakPolarHBondContact O-CB 3.47Å; E306-N309 PolarHBondContact O-N 3.37Å; E306-N309 PolarHBondContact OE2-ND2 2.96Å; E306-L310 HydrophobicContact CG-CD1 4.11Å; E306-L310 HydrophobicContact CG-CG 4.06Å; E306-L310 VanDerWaalsContact O-CG 3.31Å; E306-L310 WeakPolarHBondContact O-CG 3.27Å; E306-L310 PolarHBondContact O-N 3.36Å; E306-M322 HydrophobicContact CB-CE 4.19Å; E306-M322 HydrophobicContact CG-CE 4.33Å |
| 307 | F | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -55.4 | -42.4 | 176.2 | -172.4 | -107.8 | 0 | 0 | 0 | 111.5 | F303 H304 T305 L310 L311 L319 M322 L336 L339 L340 F385 F391 | F303-F307 VanDerWaalsContact O-CB 3.27Å; F303-F307 WeakPolarHBondContact O-CB 3.47Å; F303-F307 PolarHBondContact O-N 3.4Å; H304-F307 WeakPolarHBondContact O-CB 3.44Å; H304-F307 PolarHBondContact O-N 3.18Å; T305-F307 VanDerWaalsContact C-N 3.33Å; T305-F307 PolarHBondContact O-N 3.27Å; F307-L310 PolarHBondContact O-N 3.46Å; F307-L311 HydrophobicContact CD1-CD1 3.7Å; F307-L311 HydrophobicContact CD1-CG 4.28Å; F307-L311 HydrophobicContact CE1-CD1 3.49Å; F307-L311 VanDerWaalsContact CE1-CD1 3.49Å; F307-L311 HydrophobicContact CE1-CG 4.13Å; F307-L311 HydrophobicContact CZ-CD1 4.21Å; F307-L311 HydrophobicContact CZ-CD2 4.47Å; F307-L311 HydrophobicContact CZ-CG 4.44Å; F307-L311 VanDerWaalsContact O-CG 3.3Å; F307-L311 WeakPolarHBondContact O-CG 3.49Å; F307-L311 PolarHBondContact O-N 3.1Å; F307-L319 HydrophobicContact CD2-CD2 3.43Å; F307-L319 VanDerWaalsContact CD2-CD2 3.43Å; F307-L319 HydrophobicContact CE2-CD2 3.41Å; F307-L319 VanDerWaalsContact CE2-CD2 3.41Å; F307-L319 HydrophobicContact CG-CD2 4.25Å; F307-L319 HydrophobicContact CZ-CD2 4.2Å; F307-M322 HydrophobicContact CB-CE 4.39Å; F307-M322 HydrophobicContact CB-SD 3.63Å; F307-M322 HydrophobicContact CD2-SD 3.55Å; F307-M322 VanDerWaalsContact CD2-SD 3.55Å; F307-M322 HydrophobicContact CG-SD 4.04Å; F307-L336 HydrophobicContact CB-CD2 3.86Å; F307-L336 HydrophobicContact CD1-CD2 3.88Å; F307-L336 HydrophobicContact CD2-CD2 3.91Å; F307-L336 HydrophobicContact CE1-CB 4.23Å; F307-L336 HydrophobicContact CE1-CD2 4.35Å; F307-L336 WeakPolarHBondContact CE1-O 3.04Å; F307-L336 HydrophobicContact CE2-CD1 4.47Å; F307-L336 HydrophobicContact CE2-CD2 4.38Å; F307-L336 HydrophobicContact CG-CD2 3.63Å; F307-L336 HydrophobicContact CZ-CB 4.24Å; F307-L339 HydrophobicContact CB-CD1 4.41Å; F307-L339 HydrophobicContact CD1-CB 3.84Å; F307-L339 HydrophobicContact CD1-CD1 3.96Å; F307-L339 HydrophobicContact CE1-CB 4.06Å; F307-L340 HydrophobicContact CE1-CB 4.32Å; F307-F385 HydrophobicContact CE2-CE1 4.16Å; F307-F385 AromaticContact CE2-CZ 3.98Å; F307-F385 HydrophobicContact CE2-CZ 3.98Å; F307-F385 HydrophobicContact CZ-CE1 4.43Å; F307-F385 AromaticContact CZ-CZ 3.89Å; F307-F385 HydrophobicContact CZ-CZ 3.89Å; F307-F391 HydrophobicContact CZ-CE1 4.29Å |
| 308 | Q | 94.2 | Very high | 93.4 | Very high | 50 Ų | 50 | 60.4 Ų | 60.4 | 23% | 0.234 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 175.5 | -174.2 | 58.4 | 58.3 | 0 | 0 | 111.5 | H304 T305 E306 L310 L311 D312 H343 | H304-Q308 PolarHBondContact O-N 2.97Å; T305-Q308 PolarHBondContact O-N 3.36Å; E306-Q308 PolarHBondContact O-N 3.37Å; Q308-L310 VanDerWaalsContact C-N 3.32Å; Q308-L310 PolarHBondContact O-N 3.04Å; Q308-L311 WeakPolarHBondContact O-CB 3.3Å; Q308-L311 PolarHBondContact O-N 3.46Å; Q308-D312 PolarHBondContact NE2-OD1 3.36Å; Q308-D312 VanDerWaalsContact NE2-OD1 3.12Å; Q308-D312 PolarHBondContact NE2-OD2 2.83Å; Q308-D312 VanDerWaalsContact NE2-OD2 3.15Å; Q308-D312 VanDerWaalsContact O-CG 3.29Å; Q308-D312 PolarHBondContact O-N 3.27Å; Q308-H343 PolarHBondContact NE2-ND1 3.41Å |
| 309 | N | 94.3 | Very high | 93.5 | Very high | 80 Ų | 80 | 55.5 Ų | 55.5 | 43% | 0.428 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 176.9 | -61.6 | -28.7 | 0 | 0 | 0 | 112.1 | T305 E306 D312 A313 | T305-N309 PolarHBondContact O-N 2.97Å; E306-N309 WeakPolarHBondContact O-CB 3.47Å; E306-N309 PolarHBondContact O-N 3.37Å; E306-N309 PolarHBondContact OE2-ND2 2.96Å; N309-D312 PolarHBondContact O-N 2.95Å; N309-A313 VanDerWaalsContact O-CB 3.31Å; N309-A313 WeakPolarHBondContact O-CB 3.41Å; N309-A313 PolarHBondContact O-N 3.47Å |
| 310 | L | 94.9 | Very high | 93.6 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.6 | -36.4 | 178.9 | -66 | 175.9 | 0 | 0 | 0 | 112.2 | T258 M261 E306 F307 Q308 A313 D314 K315 D318 L319 M322 | T258-L310 HydrophobicContact CG2-CD1 4.49Å; T258-L310 HydrophobicContact CG2-CD2 3.73Å; M261-L310 HydrophobicContact CE-CD1 4.09Å; E306-L310 HydrophobicContact CG-CD1 4.11Å; E306-L310 HydrophobicContact CG-CG 4.06Å; E306-L310 VanDerWaalsContact O-CG 3.31Å; E306-L310 WeakPolarHBondContact O-CG 3.27Å; E306-L310 PolarHBondContact O-N 3.36Å; F307-L310 PolarHBondContact O-N 3.46Å; Q308-L310 VanDerWaalsContact C-N 3.32Å; Q308-L310 PolarHBondContact O-N 3.04Å; L310-A313 PolarHBondContact O-N 2.7Å; L310-D314 PolarHBondContact O-N 3.48Å; L310-D314 VanDerWaalsContact O-N 3.1Å; L310-K315 HydrophobicContact CD2-CB 3.93Å; L310-K315 HydrophobicContact CD2-CD 3.76Å; L310-K315 HydrophobicContact CD2-CG 4.39Å; L310-K315 PolarHBondContact O-N 3.36Å; L310-D318 HydrophobicContact CD1-CB 3.95Å; L310-D318 HydrophobicContact CD2-CB 4.01Å; L310-L319 HydrophobicContact CB-CD2 3.63Å; L310-L319 HydrophobicContact CB-CG 3.94Å; L310-L319 HydrophobicContact CD1-CD2 4.38Å; L310-M322 HydrophobicContact CD1-CE 3.79Å |
| 311 | L | 94.2 | Very high | 93.7 | Very high | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.016 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.6 | -46 | 171.7 | -74.1 | 173.3 | 0 | 0 | 0 | 111.1 | F307 Q308 A313 D314 L319 L340 H343 L380 | F307-L311 HydrophobicContact CD1-CD1 3.7Å; F307-L311 HydrophobicContact CD1-CG 4.28Å; F307-L311 HydrophobicContact CE1-CD1 3.49Å; F307-L311 VanDerWaalsContact CE1-CD1 3.49Å; F307-L311 HydrophobicContact CE1-CG 4.13Å; F307-L311 HydrophobicContact CZ-CD1 4.21Å; F307-L311 HydrophobicContact CZ-CD2 4.47Å; F307-L311 HydrophobicContact CZ-CG 4.44Å; F307-L311 VanDerWaalsContact O-CG 3.3Å; F307-L311 WeakPolarHBondContact O-CG 3.49Å; F307-L311 PolarHBondContact O-N 3.1Å; Q308-L311 WeakPolarHBondContact O-CB 3.3Å; Q308-L311 PolarHBondContact O-N 3.46Å; L311-A313 VanDerWaalsContact C-N 3.26Å; L311-A313 PolarHBondContact O-N 3.37Å; L311-D314 PolarHBondContact O-N 2.96Å; L311-L319 HydrophobicContact CD2-CD1 3.79Å; L311-L319 HydrophobicContact CD2-CD2 4.11Å; L311-L319 HydrophobicContact CG-CD1 4.43Å; L311-L319 HydrophobicContact CG-CD2 4.08Å; L311-L340 HydrophobicContact CD1-CD1 4.29Å; L311-L340 HydrophobicContact CD2-CD1 3.63Å; L311-H343 HydrophobicContact CD1-CB 3.93Å; L311-L380 HydrophobicContact CD2-CD2 3.99Å |
| 312 | D | 92.4 | Very high | 93.9 | Very high | 88 Ų | 88 | 47.9 Ų | 47.9 | 47% | 0.471 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67.5 | -27.3 | 179.9 | -65 | -30.5 | 0 | 0 | 0 | 112.6 | Q308 N309 H343 | Q308-D312 PolarHBondContact NE2-OD1 3.36Å; Q308-D312 VanDerWaalsContact NE2-OD1 3.12Å; Q308-D312 PolarHBondContact NE2-OD2 2.83Å; Q308-D312 VanDerWaalsContact NE2-OD2 3.15Å; Q308-D312 VanDerWaalsContact O-CG 3.29Å; Q308-D312 PolarHBondContact O-N 3.27Å; N309-D312 PolarHBondContact O-N 2.95Å; D312-H343 IonicContact OD1-CE1 2.85Å; D312-H343 PolarHBondContact OD1-CE1 3.11Å; D312-H343 IonicContact OD1-ND1 3Å; D312-H343 PolarHBondContact OD1-ND1 3.39Å |
| 313 | A | 93.3 | Very high | 94 | Very high | 58 Ų | 58 | 45.8 Ų | 45.8 | 48% | 0.479 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 3.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | N309 L310 L311 K315 | N309-A313 VanDerWaalsContact O-CB 3.31Å; N309-A313 WeakPolarHBondContact O-CB 3.41Å; N309-A313 PolarHBondContact O-N 3.47Å; L310-A313 PolarHBondContact O-N 2.7Å; L311-A313 VanDerWaalsContact C-N 3.26Å; L311-A313 PolarHBondContact O-N 3.37Å; A313-K315 VanDerWaalsContact C-N 3.27Å; A313-K315 HydrophobicContact CB-CG 4.17Å; A313-K315 PolarHBondContact O-N 2.85Å |
| 314 | D | 91.3 | Very high | 94 | Very high | 80 Ų | 80 | 48.7 Ų | 48.7 | 43% | 0.428 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 34.4 | -179.2 | -71 | -41.6 | 0 | 0 | 0 | 114.6 | L310 L311 N316 K376 | L310-D314 PolarHBondContact O-N 3.48Å; L310-D314 VanDerWaalsContact O-N 3.1Å; L311-D314 PolarHBondContact O-N 2.96Å; D314-N316 PolarHBondContact O-N 3.45Å; D314-N316 VanDerWaalsContact O-N 3.09Å; D314-N316 PolarHBondContact O-OD1 3.27Å; D314-K376 WeakPolarHBondContact OD1-CE 3.46Å; D314-K376 IonicContact OD1-NZ 2.81Å; D314-K376 PolarHBondContact OD1-NZ 3Å; D314-K376 IonicContact OD2-NZ 3.11Å; D314-K376 PolarHBondContact OD2-NZ 3.38Å |
| 315 | K | 93.4 | Very high | 94.1 | Very high | 99 Ų | 99 | 47 Ų | 47 | 43% | 0.43 | 25% | 0.247 | S | C | . | . | trans | -86 | 71.9 | -179 | -69.9 | -169.7 | 179.6 | 179.8 | 0 | 112.9 | L310 A313 E317 D318 L319 | L310-K315 HydrophobicContact CD2-CB 3.93Å; L310-K315 HydrophobicContact CD2-CD 3.76Å; L310-K315 HydrophobicContact CD2-CG 4.39Å; L310-K315 PolarHBondContact O-N 3.36Å; A313-K315 VanDerWaalsContact C-N 3.27Å; A313-K315 HydrophobicContact CB-CG 4.17Å; A313-K315 PolarHBondContact O-N 2.85Å; K315-E317 PolarHBondContact O-N 2.78Å; K315-D318 HydrophobicContact CB-CB 4.35Å; K315-D318 PolarHBondContact O-N 2.84Å; K315-L319 WeakPolarHBondContact O-CG 3.46Å; K315-L319 PolarHBondContact O-N 3.24Å; K315-L319 VanDerWaalsContact O-N 3.09Å | ||
| 316 | N | 92.5 | Very high | 94.2 | Very high | 69 Ų | 69 | 42.6 Ų | 42.6 | 37% | 0.369 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.6 | -35.2 | -172.2 | -61.6 | -12.2 | 0 | 0 | 0 | 115.1 | D314 L319 G320 L380 | D314-N316 PolarHBondContact O-N 3.45Å; D314-N316 VanDerWaalsContact O-N 3.09Å; D314-N316 PolarHBondContact O-OD1 3.27Å; N316-L319 PolarHBondContact O-N 3.35Å; N316-G320 PolarHBondContact O-N 3.24Å; N316-L380 HydrophobicContact CB-CD1 4.07Å; N316-L380 WeakPolarHBondContact OD1-CD1 3.32Å |
| 317 | E | 93.1 | Very high | 94.1 | Very high | 164 Ų | 164 | 43.3 Ų | 43.3 | 77% | 0.766 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -67.3 | -42.7 | 178.5 | -66.1 | -174.8 | 177.5 | 0 | 0 | 112.1 | K315 G320 R321 | K315-E317 PolarHBondContact O-N 2.78Å; E317-G320 PolarHBondContact O-N 3.14Å; E317-R321 PolarHBondContact O-N 3.44Å |
| 318 | D | 94.1 | Very high | 93.9 | Very high | 23 Ų | 23 | 49.3 Ų | 49.3 | 12% | 0.123 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.3 | -35.8 | 178.1 | -66.4 | -37.2 | 0 | 0 | 0 | 111.2 | T258 M261 L310 K315 G320 R321 M322 | T258-D318 HydrophobicContact CG2-CB 4.21Å; M261-D318 HydrophobicContact CE-CB 4.4Å; L310-D318 HydrophobicContact CD1-CB 3.95Å; L310-D318 HydrophobicContact CD2-CB 4.01Å; K315-D318 HydrophobicContact CB-CB 4.35Å; K315-D318 PolarHBondContact O-N 2.84Å; D318-G320 VanDerWaalsContact C-N 3.33Å; D318-R321 PolarHBondContact O-N 3.11Å; D318-R321 IonicContact OD1-CZ 3.82Å; D318-R321 IonicContact OD1-NH1 2.74Å; D318-R321 PolarHBondContact OD1-NH1 3.19Å; D318-M322 PolarHBondContact O-N 3.36Å |
| 319 | L | 95.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.6 | -41.9 | 171.3 | -70.6 | 169.5 | 0 | 0 | 0 | 111.8 | F307 L310 L311 K315 N316 M322 Y323 L380 F385 | F307-L319 HydrophobicContact CD2-CD2 3.43Å; F307-L319 VanDerWaalsContact CD2-CD2 3.43Å; F307-L319 HydrophobicContact CE2-CD2 3.41Å; F307-L319 VanDerWaalsContact CE2-CD2 3.41Å; F307-L319 HydrophobicContact CG-CD2 4.25Å; F307-L319 HydrophobicContact CZ-CD2 4.2Å; L310-L319 HydrophobicContact CB-CD2 3.63Å; L310-L319 HydrophobicContact CB-CG 3.94Å; L310-L319 HydrophobicContact CD1-CD2 4.38Å; L311-L319 HydrophobicContact CD2-CD1 3.79Å; L311-L319 HydrophobicContact CD2-CD2 4.11Å; L311-L319 HydrophobicContact CG-CD1 4.43Å; L311-L319 HydrophobicContact CG-CD2 4.08Å; K315-L319 WeakPolarHBondContact O-CG 3.46Å; K315-L319 PolarHBondContact O-N 3.24Å; K315-L319 VanDerWaalsContact O-N 3.09Å; N316-L319 PolarHBondContact O-N 3.35Å; L319-M322 PolarHBondContact O-N 2.93Å; L319-Y323 WeakPolarHBondContact O-CB 3.43Å; L319-Y323 PolarHBondContact O-N 3.19Å; L319-L380 HydrophobicContact CD1-CD1 3.87Å; L319-L380 HydrophobicContact CD1-CD2 4.28Å; L319-F385 HydrophobicContact CB-CE1 4.07Å; L319-F385 HydrophobicContact CB-CZ 4.23Å |
| 320 | G | 95.3 | Very high | 93.4 | Very high | 9 Ų | 9 | 50 Ų | 50 | 9% | 0.093 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.1 | -39.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N316 E317 D318 Y323 N324 A384 | N316-G320 PolarHBondContact O-N 3.24Å; E317-G320 PolarHBondContact O-N 3.14Å; D318-G320 VanDerWaalsContact C-N 3.33Å; G320-Y323 PolarHBondContact O-N 3.5Å; G320-N324 PolarHBondContact O-N 3Å; G320-N324 PolarHBondContact O-ND2 3.44Å; G320-A384 VanDerWaalsContact CA-O 3.26Å; G320-A384 WeakPolarHBondContact CA-O 3.35Å |
| 321 | R | 95.1 | Very high | 92.8 | Very high | 43 Ų | 43 | 57.1 Ų | 57.1 | 16% | 0.162 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 173.2 | -166.8 | 179.1 | -58 | 96.6 | 5.8 | 111.6 | M261 E265 E317 D318 Y323 N324 L325 | M261-R321 HydrophobicContact CB-CG 4.36Å; E265-R321 IonicContact OE2-NE 3.13Å; E317-R321 PolarHBondContact O-N 3.44Å; D318-R321 PolarHBondContact O-N 3.11Å; D318-R321 IonicContact OD1-CZ 3.82Å; D318-R321 IonicContact OD1-NH1 2.74Å; D318-R321 PolarHBondContact OD1-NH1 3.19Å; R321-Y323 VanDerWaalsContact C-N 3.32Å; R321-Y323 PolarHBondContact O-N 3.34Å; R321-N324 PolarHBondContact O-N 2.99Å; R321-L325 HydrophobicContact CG-CD1 4.38Å; R321-L325 WeakPolarHBondContact O-CG 3.39Å; R321-L325 PolarHBondContact O-N 3.31Å |
| 322 | M | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.5 | -44 | 176.8 | -167.9 | 176.5 | -72.2 | 0 | 0 | 111.3 | M261 F303 E306 F307 L310 D318 L319 N324 L325 V326 L336 | M261-M322 HydrophobicContact CE-CB 4.4Å; M261-M322 HydrophobicContact CE-CE 3.88Å; M261-M322 HydrophobicContact SD-CB 3.55Å; M261-M322 VanDerWaalsContact SD-CB 3.55Å; M261-M322 HydrophobicContact SD-CE 3.62Å; M261-M322 HydrophobicContact SD-CG 3.85Å; F303-M322 HydrophobicContact CB-CE 4.31Å; F303-M322 HydrophobicContact CB-SD 4.15Å; F303-M322 HydrophobicContact CD2-CG 4.17Å; F303-M322 WeakPolarHBondContact O-CE 3.32Å; F303-M322 VanDerWaalsContact O-SD 3.4Å; E306-M322 HydrophobicContact CB-CE 4.19Å; E306-M322 HydrophobicContact CG-CE 4.33Å; F307-M322 HydrophobicContact CB-CE 4.39Å; F307-M322 HydrophobicContact CB-SD 3.63Å; F307-M322 HydrophobicContact CD2-SD 3.55Å; F307-M322 VanDerWaalsContact CD2-SD 3.55Å; F307-M322 HydrophobicContact CG-SD 4.04Å; L310-M322 HydrophobicContact CD1-CE 3.79Å; D318-M322 PolarHBondContact O-N 3.36Å; L319-M322 PolarHBondContact O-N 2.93Å; M322-N324 PolarHBondContact O-N 3.35Å; M322-L325 PolarHBondContact O-N 3.3Å; M322-V326 HydrophobicContact CG-CG2 4.23Å; M322-V326 WeakPolarHBondContact O-CG2 3.39Å; M322-V326 PolarHBondContact O-N 3.16Å; M322-L336 HydrophobicContact SD-CD2 4.41Å |
| 323 | Y | 95.4 | Very high | 92.5 | Very high | 22 Ų | 22 | 54.3 Ų | 54.3 | 9% | 0.086 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.3 | -49.6 | 175.1 | 168.1 | -96.5 | 0 | 0 | 0 | 111.9 | L319 G320 R321 L325 V326 S327 L333 F385 N386 D388 F391 | L319-Y323 WeakPolarHBondContact O-CB 3.43Å; L319-Y323 PolarHBondContact O-N 3.19Å; G320-Y323 PolarHBondContact O-N 3.5Å; R321-Y323 VanDerWaalsContact C-N 3.32Å; R321-Y323 PolarHBondContact O-N 3.34Å; Y323-L325 VanDerWaalsContact C-N 3.27Å; Y323-L325 PolarHBondContact O-N 2.98Å; Y323-V326 PolarHBondContact O-N 3.47Å; Y323-S327 WeakPolarHBondContact O-CB 3.49Å; Y323-S327 PolarHBondContact O-N 2.96Å; Y323-S327 PolarHBondContact O-OG 3.4Å; Y323-L333 HydrophobicContact CD2-CD1 4.45Å; Y323-L333 HydrophobicContact CD2-CD2 3.96Å; Y323-L333 HydrophobicContact CE2-CD1 3.94Å; Y323-L333 HydrophobicContact CE2-CD2 4.29Å; Y323-F385 HydrophobicContact CD2-CB 4.16Å; Y323-F385 AromaticContact CD2-CD1 3.99Å; Y323-F385 HydrophobicContact CD2-CD1 3.99Å; Y323-F385 HydrophobicContact CD2-CG 4.42Å; Y323-F385 HydrophobicContact CE2-CB 4.3Å; Y323-F385 HydrophobicContact CG-CB 4.41Å; Y323-F385 AromaticContact CG-CD1 3.84Å; Y323-F385 HydrophobicContact CG-CD1 3.84Å; Y323-N386 HydrophobicContact CE1-CB 4.17Å; Y323-D388 HydrophobicContact CE2-CB 4.1Å; Y323-F391 HydrophobicContact CD2-CD2 4.24Å; Y323-F391 AromaticContact CD2-CE2 3.61Å; Y323-F391 HydrophobicContact CD2-CE2 3.61Å; Y323-F391 HydrophobicContact CD2-CZ 4.25Å; Y323-F391 HydrophobicContact CE2-CD2 4.06Å; Y323-F391 AromaticContact CE2-CE2 3.74Å; Y323-F391 HydrophobicContact CE2-CE2 3.74Å |
| 324 | N | 94.4 | Very high | 92.4 | Very high | 62 Ų | 62 | 53.5 Ų | 53.5 | 33% | 0.332 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.4 | -28.5 | -179.5 | -70.5 | -27.8 | 0 | 0 | 0 | 113.8 | G320 R321 M322 S327 R328 | G320-N324 PolarHBondContact O-N 3Å; G320-N324 PolarHBondContact O-ND2 3.44Å; R321-N324 PolarHBondContact O-N 2.99Å; M322-N324 PolarHBondContact O-N 3.35Å; N324-S327 PolarHBondContact O-OG 3.07Å; N324-R328 PolarHBondContact O-NE 2.91Å |
| 325 | L | 94.4 | Very high | 92.5 | Very high | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -75.8 | -53.7 | 174.3 | -70.5 | 171.3 | 0 | 0 | 0 | 110.3 | M261 E265 L268 I296 F303 R321 M322 Y323 S327 R328 | M261-L325 HydrophobicContact CB-CD1 3.69Å; M261-L325 HydrophobicContact CG-CD1 3.83Å; M261-L325 HydrophobicContact SD-CD1 4.38Å; E265-L325 HydrophobicContact CB-CD2 4.32Å; L268-L325 HydrophobicContact CD1-CD2 4.07Å; I296-L325 HydrophobicContact CD1-CB 4.19Å; I296-L325 HydrophobicContact CD1-CD2 4.2Å; I296-L325 HydrophobicContact CG1-CB 4.49Å; F303-L325 HydrophobicContact CE2-CD1 4.38Å; R321-L325 HydrophobicContact CG-CD1 4.38Å; R321-L325 WeakPolarHBondContact O-CG 3.39Å; R321-L325 PolarHBondContact O-N 3.31Å; M322-L325 PolarHBondContact O-N 3.3Å; Y323-L325 VanDerWaalsContact C-N 3.27Å; Y323-L325 PolarHBondContact O-N 2.98Å; L325-S327 VanDerWaalsContact C-N 3.29Å; L325-S327 PolarHBondContact O-N 3.23Å; L325-R328 WeakPolarHBondContact O-CB 3.46Å; L325-R328 PolarHBondContact O-N 3.46Å |
| 326 | V | 94.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.9 | -26.8 | -175 | -179.3 | 0 | 0 | 0 | 0 | 112.2 | I296 L300 F303 M322 Y323 R328 I329 G332 L333 L336 | I296-V326 HydrophobicContact CG2-CG2 4.33Å; L300-V326 HydrophobicContact CD2-CG1 3.97Å; L300-V326 HydrophobicContact CD2-CG2 4.01Å; F303-V326 HydrophobicContact CD2-CG2 3.76Å; F303-V326 HydrophobicContact CE2-CG2 4.41Å; M322-V326 HydrophobicContact CG-CG2 4.23Å; M322-V326 WeakPolarHBondContact O-CG2 3.39Å; M322-V326 PolarHBondContact O-N 3.16Å; Y323-V326 PolarHBondContact O-N 3.47Å; V326-R328 PolarHBondContact O-N 3.35Å; V326-R328 VanDerWaalsContact O-N 3.11Å; V326-I329 PolarHBondContact O-N 3.43Å; V326-G332 WeakPolarHBondContact CG1-O 3.29Å; V326-L333 HydrophobicContact CB-CD2 4.01Å; V326-L333 HydrophobicContact CG1-CD2 3.86Å; V326-L333 HydrophobicContact CG1-CG 4.45Å; V326-L336 HydrophobicContact CB-CD1 4.05Å; V326-L336 HydrophobicContact CG1-CD1 4.01Å; V326-L336 HydrophobicContact CG2-CD1 4.16Å |
| 327 | S | 93.9 | Very high | 92.7 | Very high | 54 Ų | 54 | 48.2 Ų | 48.2 | 38% | 0.378 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -17.1 | 175.8 | 66.7 | 0 | 0 | 0 | 0 | 113.8 | Y323 N324 L325 I329 | Y323-S327 WeakPolarHBondContact O-CB 3.49Å; Y323-S327 PolarHBondContact O-N 2.96Å; Y323-S327 PolarHBondContact O-OG 3.4Å; N324-S327 PolarHBondContact O-OG 3.07Å; L325-S327 VanDerWaalsContact C-N 3.29Å; L325-S327 PolarHBondContact O-N 3.23Å; S327-I329 VanDerWaalsContact C-N 3.32Å |
| 328 | R | 91.6 | Very high | 92.8 | Very high | 125 Ų | 125 | 45.6 Ų | 45.6 | 47% | 0.472 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -23.3 | 175.3 | -61 | 170 | -179.6 | -88.7 | -1.3 | 112.3 | E292 N324 L325 V326 | E292-R328 HydrophobicContact CG-CB 4.33Å; E292-R328 IonicContact OE1-NH1 3.44Å; N324-R328 PolarHBondContact O-NE 2.91Å; L325-R328 WeakPolarHBondContact O-CB 3.46Å; L325-R328 PolarHBondContact O-N 3.46Å; V326-R328 PolarHBondContact O-N 3.35Å; V326-R328 VanDerWaalsContact O-N 3.11Å |
| 329 | I | 91.5 | Very high | 92.8 | Very high | 20 Ų | 20 | 46.3 Ų | 46.3 | 10% | 0.103 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -88.9 | 128.7 | -179.9 | -53.4 | -57.1 | 0 | 0 | 0 | 109.5 | E292 I296 E297 L300 V326 S327 D331 G332 | E292-I329 HydrophobicContact CB-CD1 3.82Å; I296-I329 HydrophobicContact CB-CD1 4.2Å; I296-I329 HydrophobicContact CB-CG1 4.15Å; I296-I329 HydrophobicContact CG2-CD1 4.33Å; I296-I329 HydrophobicContact CG2-CG1 3.73Å; E297-I329 HydrophobicContact CB-CD1 4.23Å; E297-I329 HydrophobicContact CG-CG2 4.26Å; L300-I329 HydrophobicContact CD1-CG2 4.46Å; V326-I329 PolarHBondContact O-N 3.43Å; S327-I329 VanDerWaalsContact C-N 3.32Å; I329-D331 PolarHBondContact O-N 2.9Å; I329-G332 PolarHBondContact O-N 3.41Å; I329-G332 VanDerWaalsContact O-N 3.16Å |
| 330 | T | 85.4 | Confident | 92.9 | Very high | 124 Ų | 124 | 46.3 Ų | 46.3 | 76% | 0.761 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 125.7 | 172.7 | -47.2 | 0 | 0 | 0 | 0 | 109.8 | G332 | T330-G332 PolarHBondContact O-N 3.19Š|
| 331 | D | 83.5 | Confident | 92.9 | Very high | 153 Ų | 153 | 46.8 Ų | 46.8 | 82% | 0.818 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 9.3 | -178.4 | -60.5 | -41 | 0 | 0 | 0 | 116.6 | I329 L333 G334 | I329-D331 PolarHBondContact O-N 2.9Å; D331-L333 VanDerWaalsContact C-N 3.3Å; D331-L333 PolarHBondContact O-N 3.29Å; D331-G334 PolarHBondContact O-N 3.36Å |
| 332 | G | 86.5 | Confident | 93 | Very high | 8 Ų | 8 | 47.7 Ų | 47.7 | 8% | 0.082 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -27 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | V326 I329 T330 G334 | V326-G332 WeakPolarHBondContact CG1-O 3.29Å; I329-G332 PolarHBondContact O-N 3.41Å; I329-G332 VanDerWaalsContact O-N 3.16Å; T330-G332 PolarHBondContact O-N 3.19Å; G332-G334 VanDerWaalsContact C-N 3.26Å; G332-G334 PolarHBondContact O-N 2.84Å |
| 333 | L | 92.1 | Very high | 93 | Very high | 23 Ų | 23 | 47.9 Ų | 47.9 | 12% | 0.12 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -76.3 | -8.4 | -177.2 | -63.2 | 176.5 | 0 | 0 | 0 | 114 | Y323 V326 D331 L336 K337 F391 | Y323-L333 HydrophobicContact CD2-CD1 4.45Å; Y323-L333 HydrophobicContact CD2-CD2 3.96Å; Y323-L333 HydrophobicContact CE2-CD1 3.94Å; Y323-L333 HydrophobicContact CE2-CD2 4.29Å; V326-L333 HydrophobicContact CB-CD2 4.01Å; V326-L333 HydrophobicContact CG1-CD2 3.86Å; V326-L333 HydrophobicContact CG1-CG 4.45Å; D331-L333 VanDerWaalsContact C-N 3.3Å; D331-L333 PolarHBondContact O-N 3.29Å; L333-L336 HydrophobicContact CD2-CD1 4.09Å; L333-L336 PolarHBondContact O-N 3.22Å; L333-K337 WeakPolarHBondContact O-CG 3.2Å; L333-K337 PolarHBondContact O-N 3.15Å; L333-K337 VanDerWaalsContact O-N 3.1Å; L333-F391 HydrophobicContact CD1-CE2 4.48Å; L333-F391 HydrophobicContact CD2-CE2 4.23Å |
| 334 | G | 92.2 | Very high | 93.1 | Very high | 42 Ų | 42 | 46.9 Ų | 46.9 | 43% | 0.433 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58.8 | -50.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | D331 G332 K337 K338 | D331-G334 PolarHBondContact O-N 3.36Å; G332-G334 VanDerWaalsContact C-N 3.26Å; G332-G334 PolarHBondContact O-N 2.84Å; G334-K337 PolarHBondContact O-N 3.05Å; G334-K338 PolarHBondContact O-N 3.15Å |
| 335 | E | 92.6 | Very high | 93.1 | Very high | 84 Ų | 84 | 45.3 Ų | 45.3 | 39% | 0.393 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -71.9 | -34.9 | 179.5 | -72.3 | -61.5 | 133.2 | 0 | 0 | 112.1 | K337 K338 L339 | E335-K337 VanDerWaalsContact C-N 3.31Å; E335-K337 PolarHBondContact O-N 2.93Å; E335-K338 WeakPolarHBondContact O-CB 3.47Å; E335-K338 PolarHBondContact O-N 3.01Å; E335-K338 VanDerWaalsContact O-N 3.14Å; E335-K338 IonicContact OE1-NZ 2.64Å; E335-K338 PolarHBondContact OE1-NZ 3Å; E335-K338 IonicContact OE2-NZ 3.85Å; E335-K338 PolarHBondContact OE2-NZ 3.11Å; E335-L339 WeakPolarHBondContact O-CG 3.32Å; E335-L339 PolarHBondContact O-N 3.12Å |
| 336 | L | 94.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.9 | -40.9 | 175.3 | -61.6 | -170.8 | 0 | 0 | 0 | 112.2 | F307 M322 V326 L333 K338 L339 L340 F391 | F307-L336 HydrophobicContact CB-CD2 3.86Å; F307-L336 HydrophobicContact CD1-CD2 3.88Å; F307-L336 HydrophobicContact CD2-CD2 3.91Å; F307-L336 HydrophobicContact CE1-CB 4.23Å; F307-L336 HydrophobicContact CE1-CD2 4.35Å; F307-L336 WeakPolarHBondContact CE1-O 3.04Å; F307-L336 HydrophobicContact CE2-CD1 4.47Å; F307-L336 HydrophobicContact CE2-CD2 4.38Å; F307-L336 HydrophobicContact CG-CD2 3.63Å; F307-L336 HydrophobicContact CZ-CB 4.24Å; M322-L336 HydrophobicContact SD-CD2 4.41Å; V326-L336 HydrophobicContact CB-CD1 4.05Å; V326-L336 HydrophobicContact CG1-CD1 4.01Å; V326-L336 HydrophobicContact CG2-CD1 4.16Å; L333-L336 HydrophobicContact CD2-CD1 4.09Å; L333-L336 PolarHBondContact O-N 3.22Å; L336-K338 VanDerWaalsContact C-N 3.33Å; L336-K338 PolarHBondContact O-N 2.92Å; L336-L339 HydrophobicContact CD2-CD1 4.49Å; L336-L339 PolarHBondContact O-N 3.3Å; L336-L340 PolarHBondContact O-N 3.41Å; L336-F391 HydrophobicContact CB-CE1 4.2Å; L336-F391 HydrophobicContact CB-CZ 3.82Å |
| 337 | K | 95.3 | Very high | 93.2 | Very high | 53 Ų | 53 | 52.8 Ų | 52.8 | 23% | 0.23 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 175.7 | -72.1 | 167.5 | -178.9 | 179.4 | 0 | 111.6 | L333 G334 E335 L340 E341 D388 F391 A394 | L333-K337 WeakPolarHBondContact O-CG 3.2Å; L333-K337 PolarHBondContact O-N 3.15Å; L333-K337 VanDerWaalsContact O-N 3.1Å; G334-K337 PolarHBondContact O-N 3.05Å; E335-K337 VanDerWaalsContact C-N 3.31Å; E335-K337 PolarHBondContact O-N 2.93Å; K337-L340 PolarHBondContact O-N 2.87Å; K337-E341 PolarHBondContact O-N 3.44Å; K337-D388 WeakPolarHBondContact CE-OD1 3.39Å; K337-D388 IonicContact NZ-OD1 3.91Å; K337-D388 PolarHBondContact NZ-OD1 3.3Å; K337-D388 VanDerWaalsContact NZ-OD1 3.1Å; K337-F391 HydrophobicContact CG-CD1 3.94Å; K337-F391 HydrophobicContact CG-CD2 3.97Å; K337-F391 HydrophobicContact CG-CE1 3.91Å; K337-F391 HydrophobicContact CG-CE2 3.9Å; K337-F391 HydrophobicContact CG-CG 4.02Å; K337-F391 HydrophobicContact CG-CZ 3.9Å; K337-A394 HydrophobicContact CB-CB 4.43Å; K337-A394 WeakPolarHBondContact O-CB 3.35Å |
| 338 | K | 95.3 | Very high | 93.1 | Very high | 108 Ų | 108 | 50.2 Ų | 50.2 | 47% | 0.47 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -70.4 | -38.2 | 178.7 | 178.1 | -178.6 | 158.6 | -150.6 | 0 | 112.6 | G334 E335 L336 E341 T342 | G334-K338 PolarHBondContact O-N 3.15Å; E335-K338 WeakPolarHBondContact O-CB 3.47Å; E335-K338 PolarHBondContact O-N 3.01Å; E335-K338 VanDerWaalsContact O-N 3.14Å; E335-K338 IonicContact OE1-NZ 2.64Å; E335-K338 PolarHBondContact OE1-NZ 3Å; E335-K338 IonicContact OE2-NZ 3.85Å; E335-K338 PolarHBondContact OE2-NZ 3.11Å; L336-K338 VanDerWaalsContact C-N 3.33Å; L336-K338 PolarHBondContact O-N 2.92Å; K338-E341 PolarHBondContact O-N 2.91Å; K338-T342 WeakPolarHBondContact O-CB 3.36Å; K338-T342 PolarHBondContact O-N 3.23Å; K338-T342 PolarHBondContact O-OG1 3.36Å |
| 339 | L | 95.2 | Very high | 93.2 | Very high | 39 Ų | 39 | 46.1 Ų | 46.1 | 20% | 0.204 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.8 | -46.5 | 172.3 | -72.1 | 173.8 | 0 | 0 | 0 | 110.6 | H304 F307 E335 L336 E341 T342 H343 | H304-L339 HydrophobicContact CB-CD1 4.06Å; H304-L339 VanDerWaalsContact O-CD1 3.32Å; H304-L339 WeakPolarHBondContact O-CD1 3.32Å; F307-L339 HydrophobicContact CB-CD1 4.41Å; F307-L339 HydrophobicContact CD1-CB 3.84Å; F307-L339 HydrophobicContact CD1-CD1 3.96Å; F307-L339 HydrophobicContact CE1-CB 4.06Å; E335-L339 WeakPolarHBondContact O-CG 3.32Å; E335-L339 PolarHBondContact O-N 3.12Å; L336-L339 HydrophobicContact CD2-CD1 4.49Å; L336-L339 PolarHBondContact O-N 3.3Å; L339-E341 PolarHBondContact O-N 3.01Å; L339-T342 PolarHBondContact O-N 3.47Å; L339-H343 WeakPolarHBondContact O-CB 3.4Å; L339-H343 PolarHBondContact O-N 3.49Å |
| 340 | L | 96.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60 | -47.4 | 175.3 | -174.5 | 72.3 | 0 | 0 | 0 | 111.5 | F307 L311 L336 K337 T342 H343 I344 L380 V381 F385 F391 | F307-L340 HydrophobicContact CE1-CB 4.32Å; L311-L340 HydrophobicContact CD1-CD1 4.29Å; L311-L340 HydrophobicContact CD2-CD1 3.63Å; L336-L340 PolarHBondContact O-N 3.41Å; K337-L340 PolarHBondContact O-N 2.87Å; L340-T342 VanDerWaalsContact C-N 3.26Å; L340-T342 PolarHBondContact O-N 2.93Å; L340-H343 PolarHBondContact O-N 3.1Å; L340-I344 HydrophobicContact CD1-CD1 3.89Å; L340-I344 HydrophobicContact CD1-CG1 4.1Å; L340-I344 HydrophobicContact CD2-CD1 3.99Å; L340-I344 HydrophobicContact CG-CD1 3.59Å; L340-I344 HydrophobicContact CG-CG1 4.16Å; L340-I344 WeakPolarHBondContact O-CB 3.32Å; L340-I344 VanDerWaalsContact O-CG1 3.24Å; L340-I344 WeakPolarHBondContact O-CG1 3.4Å; L340-I344 PolarHBondContact O-N 3.46Å; L340-L380 HydrophobicContact CD1-CD2 4.11Å; L340-V381 HydrophobicContact CD2-CG2 4.05Å; L340-F385 HydrophobicContact CD1-CE2 4.3Å; L340-F385 HydrophobicContact CD2-CD2 4.31Å; L340-F385 HydrophobicContact CD2-CE2 3.89Å; L340-F391 HydrophobicContact CB-CD1 4.35Å; L340-F391 HydrophobicContact CB-CE1 4.4Å; L340-F391 HydrophobicContact CD2-CB 4.49Å; L340-F391 HydrophobicContact CD2-CD1 3.56Å; L340-F391 HydrophobicContact CD2-CE1 4.3Å |
| 341 | E | 96.4 | Very high | 93.7 | Very high | 19 Ų | 19 | 42.8 Ų | 42.8 | 9% | 0.089 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -53.8 | -46.6 | 176.8 | -175.9 | -169.7 | 147.2 | 0 | 0 | 111 | K337 K338 L339 H345 A394 K397 A398 R401 | K337-E341 PolarHBondContact O-N 3.44Å; K338-E341 PolarHBondContact O-N 2.91Å; L339-E341 PolarHBondContact O-N 3.01Å; E341-H345 WeakPolarHBondContact O-CB 3.4Å; E341-H345 PolarHBondContact O-N 3.39Å; E341-A394 HydrophobicContact CB-CB 4.18Å; E341-K397 VanDerWaalsContact CD-NZ 3.33Å; E341-K397 WeakPolarHBondContact OE1-CD 3.33Å; E341-K397 WeakPolarHBondContact OE1-CE 3.26Å; E341-K397 IonicContact OE1-NZ 3.83Å; E341-K397 PolarHBondContact OE1-NZ 3.45Å; E341-K397 VanDerWaalsContact OE1-NZ 3.07Å; E341-K397 WeakPolarHBondContact OE2-CD 3.4Å; E341-K397 WeakPolarHBondContact OE2-CE 3.24Å; E341-K397 IonicContact OE2-NZ 3.97Å; E341-K397 PolarHBondContact OE2-NZ 3.08Å; E341-A398 HydrophobicContact CG-CB 4.09Å; E341-A398 WeakPolarHBondContact O-CB 3.46Å; E341-R401 IonicContact OE1-NH1 2.86Å; E341-R401 PolarHBondContact OE1-NH1 3.25Å |
| 342 | T | 96.4 | Very high | 94.1 | Very high | 61 Ų | 61 | 35.7 Ų | 35.7 | 37% | 0.374 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -68.5 | -44.4 | -177.5 | -55 | 0 | 0 | 0 | 0 | 111.7 | K338 L339 L340 H345 N346 | K338-T342 WeakPolarHBondContact O-CB 3.36Å; K338-T342 PolarHBondContact O-N 3.23Å; K338-T342 PolarHBondContact O-OG1 3.36Å; L339-T342 PolarHBondContact O-N 3.47Å; L340-T342 VanDerWaalsContact C-N 3.26Å; L340-T342 PolarHBondContact O-N 2.93Å; T342-H345 PolarHBondContact O-N 3.31Å; T342-N346 VanDerWaalsContact O-CG 3.25Å; T342-N346 PolarHBondContact O-N 3.11Å; T342-N346 PolarHBondContact O-ND2 2.96Å |
| 343 | H | 96.1 | Very high | 94.2 | Very high | 5 Ų | 5 | 40.8 Ų | 40.8 | 2% | 0.023 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.3 | -47.2 | 178 | 173.9 | 90.6 | 0 | 0 | 0 | 111.4 | Q308 L311 D312 L339 L340 H345 N346 Q347 Y377 | Q308-H343 PolarHBondContact NE2-ND1 3.41Å; L311-H343 HydrophobicContact CD1-CB 3.93Å; D312-H343 IonicContact OD1-CE1 2.85Å; D312-H343 PolarHBondContact OD1-CE1 3.11Å; D312-H343 IonicContact OD1-ND1 3Å; D312-H343 PolarHBondContact OD1-ND1 3.39Å; L339-H343 WeakPolarHBondContact O-CB 3.4Å; L339-H343 PolarHBondContact O-N 3.49Å; L340-H343 PolarHBondContact O-N 3.1Å; H343-H345 VanDerWaalsContact C-N 3.3Å; H343-H345 PolarHBondContact O-N 2.81Å; H343-N346 PolarHBondContact O-N 2.86Å; H343-Q347 WeakPolarHBondContact O-CB 3.24Å; H343-Q347 VanDerWaalsContact O-CG 3.24Å; H343-Q347 WeakPolarHBondContact O-CG 3.36Å; H343-Q347 PolarHBondContact O-N 3.38Å; H343-Y377 AromaticContact CD2-CE1 3.66Å; H343-Y377 AromaticContact CD2-CZ 3.79Å; H343-Y377 PolarHBondContact CD2-OH 2.92Å; H343-Y377 AromaticContact NE2-CE1 3.63Å; H343-Y377 AromaticContact NE2-CZ 3.61Å; H343-Y377 PolarHBondContact NE2-OH 3.32Å |
| 344 | I | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.5 | -42.4 | 177.2 | -64.7 | 172.5 | 0 | 0 | 0 | 110.7 | L340 Q347 G348 Y377 L395 A398 F402 | L340-I344 HydrophobicContact CD1-CD1 3.89Å; L340-I344 HydrophobicContact CD1-CG1 4.1Å; L340-I344 HydrophobicContact CD2-CD1 3.99Å; L340-I344 HydrophobicContact CG-CD1 3.59Å; L340-I344 HydrophobicContact CG-CG1 4.16Å; L340-I344 WeakPolarHBondContact O-CB 3.32Å; L340-I344 VanDerWaalsContact O-CG1 3.24Å; L340-I344 WeakPolarHBondContact O-CG1 3.4Å; L340-I344 PolarHBondContact O-N 3.46Å; I344-Q347 PolarHBondContact O-N 2.81Å; I344-G348 PolarHBondContact O-N 3.3Å; I344-Y377 HydrophobicContact CB-CD2 4.39Å; I344-Y377 HydrophobicContact CD1-CD1 4.14Å; I344-Y377 HydrophobicContact CD1-CG 3.92Å; I344-Y377 HydrophobicContact CG1-CD1 3.69Å; I344-Y377 HydrophobicContact CG1-CD2 3.88Å; I344-Y377 HydrophobicContact CG1-CE1 4.06Å; I344-Y377 HydrophobicContact CG1-CE2 4.24Å; I344-Y377 HydrophobicContact CG1-CG 3.6Å; I344-Y377 HydrophobicContact CG2-CD2 4.02Å; I344-Y377 HydrophobicContact CG2-CE2 4.5Å; I344-Y377 HydrophobicContact CG2-CG 4.44Å; I344-L395 HydrophobicContact CD1-CB 4.24Å; I344-L395 HydrophobicContact CD1-CD1 3.78Å; I344-L395 HydrophobicContact CG2-CD1 4.27Å; I344-A398 HydrophobicContact CB-CB 3.69Å; I344-A398 HydrophobicContact CG2-CB 3.58Å; I344-F402 HydrophobicContact CG2-CE1 4.48Å |
| 345 | H | 95.5 | Very high | 93.9 | Very high | 30 Ų | 30 | 48.5 Ų | 48.5 | 14% | 0.139 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.2 | -49.2 | 177.1 | 179.7 | 60.2 | 0 | 0 | 0 | 111.6 | E341 T342 H343 G348 L349 A398 | E341-H345 WeakPolarHBondContact O-CB 3.4Å; E341-H345 PolarHBondContact O-N 3.39Å; T342-H345 PolarHBondContact O-N 3.31Å; H343-H345 VanDerWaalsContact C-N 3.3Å; H343-H345 PolarHBondContact O-N 2.81Å; H345-G348 PolarHBondContact O-N 2.85Å; H345-L349 WeakPolarHBondContact O-CG 3.24Å; H345-L349 PolarHBondContact O-N 3.46Å; H345-A398 HydrophobicContact CB-CB 4.48Å |
| 346 | N | 95.1 | Very high | 93.2 | Very high | 86 Ų | 86 | 46 Ų | 46 | 46% | 0.46 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.5 | -40.6 | -179.7 | -68.2 | -18.4 | 0 | 0 | 0 | 112.3 | T342 H343 L349 A350 | T342-N346 VanDerWaalsContact O-CG 3.25Å; T342-N346 PolarHBondContact O-N 3.11Å; T342-N346 PolarHBondContact O-ND2 2.96Å; H343-N346 PolarHBondContact O-N 2.86Å; N346-L349 PolarHBondContact O-N 3.24Å; N346-A350 WeakPolarHBondContact O-CB 3.44Å; N346-A350 PolarHBondContact O-N 3.48Å |
| 347 | Q | 94.6 | Very high | 92.5 | Very high | 74 Ų | 74 | 52.6 Ų | 52.6 | 35% | 0.346 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68.6 | -38.8 | 178.4 | -71 | -75.5 | -11 | 0 | 0 | 111.9 | H343 I344 A350 A351 Y377 | H343-Q347 WeakPolarHBondContact O-CB 3.24Å; H343-Q347 VanDerWaalsContact O-CG 3.24Å; H343-Q347 WeakPolarHBondContact O-CG 3.36Å; H343-Q347 PolarHBondContact O-N 3.38Å; I344-Q347 PolarHBondContact O-N 2.81Å; Q347-A350 PolarHBondContact O-N 3.41Å; Q347-A351 VanDerWaalsContact O-CB 3.29Å; Q347-A351 WeakPolarHBondContact O-CB 3.21Å; Q347-A351 PolarHBondContact O-N 3.14Å; Q347-Y377 HydrophobicContact CB-CE2 4.15Å; Q347-Y377 WeakPolarHBondContact CB-OH 3.36Å; Q347-Y377 VanDerWaalsContact CG-OH 3.26Å; Q347-Y377 WeakPolarHBondContact CG-OH 3.48Å |
| 348 | G | 93.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I344 H345 I352 | I344-G348 PolarHBondContact O-N 3.3Å; H345-G348 PolarHBondContact O-N 2.85Å; G348-I352 WeakPolarHBondContact O-CG1 3.4Å; G348-I352 PolarHBondContact O-N 3.16Å |
| 349 | L | 93.4 | Very high | 91.4 | Very high | 39 Ų | 39 | 47.5 Ų | 47.5 | 20% | 0.204 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.3 | -49.5 | 174.3 | -71.9 | 177.8 | 0 | 0 | 0 | 112 | H345 N346 A351 I352 E353 F402 N405 N406 | H345-L349 WeakPolarHBondContact O-CG 3.24Å; H345-L349 PolarHBondContact O-N 3.46Å; N346-L349 PolarHBondContact O-N 3.24Å; L349-A351 VanDerWaalsContact C-N 3.34Å; L349-A351 PolarHBondContact O-N 3.05Å; L349-I352 PolarHBondContact O-N 3.26Å; L349-E353 VanDerWaalsContact O-CB 3.31Å; L349-E353 WeakPolarHBondContact O-CB 3.3Å; L349-E353 PolarHBondContact O-N 3.18Å; L349-F402 HydrophobicContact CD2-CB 4.27Å; L349-F402 HydrophobicContact CG-CB 4.3Å; L349-N405 WeakPolarHBondContact CD2-O 3.33Å; L349-N406 HydrophobicContact CD2-CB 3.97Å |
| 350 | A | 93.6 | Very high | 90.8 | Very high | 48 Ų | 48 | 47.3 Ų | 47.3 | 40% | 0.397 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.7 | -39.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | N346 Q347 E353 K354 | N346-A350 WeakPolarHBondContact O-CB 3.44Å; N346-A350 PolarHBondContact O-N 3.48Å; Q347-A350 PolarHBondContact O-N 3.41Å; A350-E353 PolarHBondContact O-N 3.45Å; A350-K354 WeakPolarHBondContact O-CB 3.15Å; A350-K354 PolarHBondContact O-N 3.21Å |
| 351 | A | 93 | Very high | 90.1 | Very high | 27 Ų | 27 | 53.1 Ų | 53.1 | 22% | 0.223 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.7 | -44 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | Q347 L349 C355 T369 V373 | Q347-A351 VanDerWaalsContact O-CB 3.29Å; Q347-A351 WeakPolarHBondContact O-CB 3.21Å; Q347-A351 PolarHBondContact O-N 3.14Å; L349-A351 VanDerWaalsContact C-N 3.34Å; L349-A351 PolarHBondContact O-N 3.05Å; A351-C355 PolarHBondContact O-SG 2.89Å; A351-T369 HydrophobicContact CB-CG2 3.88Å; A351-V373 HydrophobicContact CB-CG2 3.72Å |
| 352 | I | 91.4 | Very high | 89.7 | Confident | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.7 | -40.3 | 177 | -65.2 | 172.4 | 0 | 0 | 0 | 110.8 | G348 L349 K354 C355 Y366 F402 N406 A407 V408 | G348-I352 WeakPolarHBondContact O-CG1 3.4Å; G348-I352 PolarHBondContact O-N 3.16Å; L349-I352 PolarHBondContact O-N 3.26Å; I352-K354 PolarHBondContact O-N 2.96Å; I352-C355 WeakPolarHBondContact O-CB 3.3Å; I352-C355 PolarHBondContact O-N 3.14Å; I352-Y366 HydrophobicContact CD1-CE2 4.15Å; I352-Y366 HydrophobicContact CG2-CE2 4.32Å; I352-F402 HydrophobicContact CD1-CD2 3.9Å; I352-F402 HydrophobicContact CD1-CE2 4.16Å; I352-N406 HydrophobicContact CD1-CB 3.85Å; I352-N406 HydrophobicContact CG2-CB 4.15Å; I352-A407 HydrophobicContact CG2-CB 4.48Å; I352-V408 HydrophobicContact CG2-CG2 3.81Å |
| 353 | E | 89.7 | Confident | 89.5 | Confident | 114 Ų | 114 | 53.8 Ų | 53.8 | 53% | 0.533 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.9 | -39.6 | 178.5 | -174.8 | 162.7 | -143.8 | 0 | 0 | 112.3 | L349 A350 C355 G356 A407 | L349-E353 VanDerWaalsContact O-CB 3.31Å; L349-E353 WeakPolarHBondContact O-CB 3.3Å; L349-E353 PolarHBondContact O-N 3.18Å; A350-E353 PolarHBondContact O-N 3.45Å; E353-C355 PolarHBondContact O-N 3.34Å; E353-G356 PolarHBondContact O-N 2.78Å; E353-A407 HydrophobicContact CB-CB 4.25Å |
| 354 | K | 90.3 | Very high | 89.3 | Confident | 192 Ų | 192 | 59.5 Ų | 59.5 | 84% | 0.835 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -60 | -28.4 | 174.8 | -173 | 176.6 | 179.8 | 179.7 | 0 | 113 | A350 I352 G356 | A350-K354 WeakPolarHBondContact O-CB 3.15Å; A350-K354 PolarHBondContact O-N 3.21Å; I352-K354 PolarHBondContact O-N 2.96Å; K354-G356 VanDerWaalsContact C-N 3.3Å |
| 355 | C | 86.6 | Confident | 89.1 | Confident | 36 Ų | 36 | 61.8 Ų | 61.8 | 24% | 0.243 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -15.8 | 176.2 | -61.6 | 0 | 0 | 0 | 0 | 113.1 | A351 I352 E353 A358 A359 V365 T369 | A351-C355 PolarHBondContact O-SG 2.89Å; I352-C355 WeakPolarHBondContact O-CB 3.3Å; I352-C355 PolarHBondContact O-N 3.14Å; E353-C355 PolarHBondContact O-N 3.34Å; C355-A358 WeakPolarHBondContact O-CB 3.46Å; C355-A358 PolarHBondContact O-N 3.34Å; C355-A359 HydrophobicContact CB-CB 3.69Å; C355-V365 HydrophobicContact CB-CG1 4.21Å; C355-T369 PolarHBondContact SG-OG1 3.25Å |
| 356 | G | 79.4 | Confident | 89 | Confident | 31 Ų | 31 | 60.5 Ų | 60.5 | 32% | 0.32 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | 52.2 | -138.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E353 K354 A358 A359 | E353-G356 PolarHBondContact O-N 2.78Å; K354-G356 VanDerWaalsContact C-N 3.3Å; G356-A358 PolarHBondContact O-N 2.97Å; G356-A359 PolarHBondContact O-N 3.15Å |
| 357 | E | 80.1 | Confident | 88.9 | Confident | 138 Ų | 138 | 56.4 Ų | 56.4 | 65% | 0.645 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -64.7 | -21.4 | 179.5 | -70.2 | -174.1 | 176.9 | 0 | 0 | 114 | A359 L360 N361 M411 | E357-A359 VanDerWaalsContact C-N 3.31Å; E357-A359 PolarHBondContact O-N 3.46Å; E357-L360 WeakPolarHBondContact O-CB 3.36Å; E357-L360 PolarHBondContact O-N 3.49Å; E357-L360 VanDerWaalsContact O-N 3.14Å; E357-N361 PolarHBondContact O-N 3.49Å; E357-M411 HydrophobicContact CG-CE 3.9Å |
| 358 | A | 85.4 | Confident | 88.8 | Confident | 54 Ų | 54 | 55.7 Ų | 55.7 | 45% | 0.446 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | C355 G356 L360 N361 D362 | C355-A358 WeakPolarHBondContact O-CB 3.46Å; C355-A358 PolarHBondContact O-N 3.34Å; G356-A358 PolarHBondContact O-N 2.97Å; A358-L360 VanDerWaalsContact C-N 3.26Å; A358-L360 PolarHBondContact O-N 2.89Å; A358-N361 PolarHBondContact O-N 3.03Å; A358-D362 WeakPolarHBondContact O-CA 2.97Å; A358-D362 VanDerWaalsContact O-CB 3.29Å; A358-D362 WeakPolarHBondContact O-CB 3.44Å; A358-D362 PolarHBondContact O-N 3.43Å |
| 359 | A | 81.1 | Confident | 88.8 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.008 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69 | -21.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | C355 G356 E357 Y366 V408 L421 | C355-A359 HydrophobicContact CB-CB 3.69Å; G356-A359 PolarHBondContact O-N 3.15Å; E357-A359 VanDerWaalsContact C-N 3.31Å; E357-A359 PolarHBondContact O-N 3.46Å; A359-Y366 HydrophobicContact CB-CD2 4.35Å; A359-V408 HydrophobicContact CB-CG2 3.88Å; A359-L421 WeakPolarHBondContact O-CD1 3.44Å |
| 360 | L | 81.8 | Confident | 88.9 | Confident | 35 Ų | 35 | 55.1 Ų | 55.1 | 18% | 0.183 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -73.3 | -34.8 | 176.5 | -178.6 | 66.7 | 0 | 0 | 0 | 112 | E357 A358 V408 M411 A412 K417 | E357-L360 WeakPolarHBondContact O-CB 3.36Å; E357-L360 PolarHBondContact O-N 3.49Å; E357-L360 VanDerWaalsContact O-N 3.14Å; A358-L360 VanDerWaalsContact C-N 3.26Å; A358-L360 PolarHBondContact O-N 2.89Å; L360-V408 HydrophobicContact CD1-CG1 3.83Å; L360-M411 HydrophobicContact CD2-CE 4.31Å; L360-A412 HydrophobicContact CD1-CB 4.39Å; L360-K417 HydrophobicContact CD1-CG 4.34Å |
| 361 | N | 82.4 | Confident | 88.9 | Confident | 122 Ų | 122 | 53 Ų | 53 | 65% | 0.652 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -108 | -23.2 | -170.8 | -66.8 | -41.7 | 0 | 0 | 0 | 113.7 | E357 A358 P363 | E357-N361 PolarHBondContact O-N 3.49Å; A358-N361 PolarHBondContact O-N 3.03Å; N361-P363 WeakPolarHBondContact O-CD 3.41Å |
| 362 | D | 88.9 | Confident | 89 | Confident | 71 Ų | 71 | 55.6 Ų | 55.6 | 38% | 0.38 | 29% | 0.293 | S | S | . | . | trans | -108 | 102.7 | 177.2 | -168.7 | -21.1 | 0 | 0 | 0 | 111.1 | A358 K364 V365 Y366 | A358-D362 WeakPolarHBondContact O-CA 2.97Å; A358-D362 VanDerWaalsContact O-CB 3.29Å; A358-D362 WeakPolarHBondContact O-CB 3.44Å; A358-D362 PolarHBondContact O-N 3.43Å; D362-K364 PolarHBondContact O-N 3.32Å; D362-K364 VanDerWaalsContact OD1-CB 3.31Å; D362-K364 WeakPolarHBondContact OD1-CB 3.32Å; D362-K364 PolarHBondContact OD1-N 3.48Å; D362-V365 HydrophobicContact CB-CB 4.16Å; D362-V365 HydrophobicContact CB-CG2 3.96Å; D362-V365 PolarHBondContact O-N 3.19Å; D362-V365 WeakPolarHBondContact OD2-CG2 3.45Å; D362-Y366 PolarHBondContact O-N 3.29Å | ||
| 363 | P | 90.8 | Very high | 89.2 | Confident | 23 Ų | 23 | 56.1 Ų | 56.1 | 15% | 0.149 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.4 | -33.5 | 175.8 | -26.7 | 35.4 | 0 | 0 | 0 | 114.2 | N361 V367 L421 R424 | N361-P363 WeakPolarHBondContact O-CD 3.41Å; P363-V367 VanDerWaalsContact O-CG2 3.31Å; P363-V367 WeakPolarHBondContact O-CG2 3.45Å; P363-V367 PolarHBondContact O-N 3.19Å; P363-V367 VanDerWaalsContact O-N 3.07Å; P363-L421 HydrophobicContact CB-CD2 4.48Å; P363-L421 WeakPolarHBondContact CB-O 3.44Å; P363-L421 HydrophobicContact CG-CD2 4.08Å; P363-R424 HydrophobicContact CB-CB 4.11Å; P363-R424 HydrophobicContact CG-CB 3.61Å |
| 364 | K | 91.6 | Very high | 89.5 | Confident | 125 Ų | 125 | 51.8 Ų | 51.8 | 54% | 0.543 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68.9 | -45.7 | -177.6 | -179.4 | 174.5 | -178.3 | 179.6 | 0 | 110.7 | D362 Y366 V367 Q368 Y425 | D362-K364 PolarHBondContact O-N 3.32Å; D362-K364 VanDerWaalsContact OD1-CB 3.31Å; D362-K364 WeakPolarHBondContact OD1-CB 3.32Å; D362-K364 PolarHBondContact OD1-N 3.48Å; K364-Y366 VanDerWaalsContact C-N 3.34Å; K364-Y366 PolarHBondContact O-N 3.01Å; K364-V367 PolarHBondContact O-N 3.01Å; K364-Q368 WeakPolarHBondContact O-CB 3.31Å; K364-Q368 PolarHBondContact O-N 3.14Å; K364-Y425 HydrophobicContact CB-CD2 3.92Å; K364-Y425 HydrophobicContact CB-CE2 3.7Å; K364-Y425 HydrophobicContact CD-CE2 4.39Å; K364-Y425 HydrophobicContact CG-CD2 4.42Å; K364-Y425 HydrophobicContact CG-CE2 3.69Å |
| 365 | V | 92.9 | Very high | 89.7 | Confident | 48 Ų | 48 | 46.9 Ų | 46.9 | 29% | 0.291 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.5 | -45.5 | 178.1 | 174.1 | 0 | 0 | 0 | 0 | 110.6 | C355 D362 T369 | C355-V365 HydrophobicContact CB-CG1 4.21Å; D362-V365 HydrophobicContact CB-CB 4.16Å; D362-V365 HydrophobicContact CB-CG2 3.96Å; D362-V365 PolarHBondContact O-N 3.19Å; D362-V365 WeakPolarHBondContact OD2-CG2 3.45Å; V365-T369 VanDerWaalsContact O-CB 3.31Å; V365-T369 WeakPolarHBondContact O-CB 3.44Å; V365-T369 PolarHBondContact O-N 3.37Å; V365-T369 PolarHBondContact O-OG1 3.5Å |
| 366 | Y | 93 | Very high | 90.2 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61 | -51.2 | 179.1 | 179.2 | -95.5 | 0 | 0 | 0 | 112.8 | I352 A359 D362 K364 T370 I403 N406 V408 S418 L421 | I352-Y366 HydrophobicContact CD1-CE2 4.15Å; I352-Y366 HydrophobicContact CG2-CE2 4.32Å; A359-Y366 HydrophobicContact CB-CD2 4.35Å; D362-Y366 PolarHBondContact O-N 3.29Å; K364-Y366 VanDerWaalsContact C-N 3.34Å; K364-Y366 PolarHBondContact O-N 3.01Å; Y366-T370 PolarHBondContact O-N 2.88Å; Y366-T370 VanDerWaalsContact O-N 3.12Å; Y366-T370 PolarHBondContact O-OG1 3.22Å; Y366-I403 PolarHBondContact OH-O 2.95Å; Y366-N406 PolarHBondContact OH-ND2 3.24Å; Y366-N406 VanDerWaalsContact OH-ND2 3.08Å; Y366-V408 HydrophobicContact CD2-CB 4.48Å; Y366-V408 HydrophobicContact CD2-CG2 4.05Å; Y366-V408 HydrophobicContact CE2-CB 4.24Å; Y366-V408 HydrophobicContact CE2-CG2 4.19Å; Y366-S418 VanDerWaalsContact OH-CB 3.28Å; Y366-S418 WeakPolarHBondContact OH-CB 3.36Å; Y366-S418 PolarHBondContact OH-OG 3.21Å; Y366-L421 HydrophobicContact CD1-CB 4.14Å; Y366-L421 HydrophobicContact CD1-CD1 4.16Å; Y366-L421 HydrophobicContact CD2-CD1 4.15Å; Y366-L421 HydrophobicContact CG-CD1 3.89Å |
| 367 | V | 93.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.6 | -41.9 | -176.5 | 176.4 | 0 | 0 | 0 | 0 | 110.9 | P363 K364 T370 L371 L422 Y425 V452 | P363-V367 VanDerWaalsContact O-CG2 3.31Å; P363-V367 WeakPolarHBondContact O-CG2 3.45Å; P363-V367 PolarHBondContact O-N 3.19Å; P363-V367 VanDerWaalsContact O-N 3.07Å; K364-V367 PolarHBondContact O-N 3.01Å; V367-T370 PolarHBondContact O-N 3.32Å; V367-L371 HydrophobicContact CG1-CD1 3.88Å; V367-L371 HydrophobicContact CG1-CG 4.36Å; V367-L371 WeakPolarHBondContact O-CB 3.4Å; V367-L371 WeakPolarHBondContact O-CG 3.34Å; V367-L371 PolarHBondContact O-N 3.5Å; V367-L422 HydrophobicContact CG1-CD1 4.05Å; V367-L422 HydrophobicContact CG2-CD1 3.69Å; V367-Y425 HydrophobicContact CB-CD1 3.8Å; V367-Y425 HydrophobicContact CB-CE1 4.13Å; V367-Y425 HydrophobicContact CB-CG 4.19Å; V367-Y425 HydrophobicContact CG1-CD1 3.64Å; V367-Y425 HydrophobicContact CG1-CE1 3.74Å; V367-Y425 HydrophobicContact CG2-CD1 3.88Å; V367-Y425 HydrophobicContact CG2-CG 4.03Å; V367-V452 HydrophobicContact CG1-CG2 4.49Å |
| 368 | Q | 92.9 | Very high | 91.6 | Very high | 60 Ų | 60 | 44.3 Ų | 44.3 | 28% | 0.28 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.6 | -45.8 | 178.8 | -170.2 | 62.2 | 46.9 | 0 | 0 | 111.7 | K364 T370 L371 D372 | K364-Q368 WeakPolarHBondContact O-CB 3.31Å; K364-Q368 PolarHBondContact O-N 3.14Å; Q368-T370 VanDerWaalsContact C-N 3.28Å; Q368-T370 PolarHBondContact O-N 3.22Å; Q368-L371 WeakPolarHBondContact O-CB 3.4Å; Q368-L371 PolarHBondContact O-N 2.89Å; Q368-L371 VanDerWaalsContact O-N 3.11Å; Q368-D372 PolarHBondContact NE2-OD1 3.33Å; Q368-D372 PolarHBondContact O-N 3.38Å |
| 369 | T | 94.1 | Very high | 92.1 | Very high | 26 Ų | 26 | 44.5 Ų | 44.5 | 16% | 0.16 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.5 | -41.9 | 177.6 | -55.2 | 0 | 0 | 0 | 0 | 111.4 | A351 C355 V365 D372 V373 | A351-T369 HydrophobicContact CB-CG2 3.88Å; C355-T369 PolarHBondContact SG-OG1 3.25Å; V365-T369 VanDerWaalsContact O-CB 3.31Å; V365-T369 WeakPolarHBondContact O-CB 3.44Å; V365-T369 PolarHBondContact O-N 3.37Å; V365-T369 PolarHBondContact O-OG1 3.5Å; T369-D372 PolarHBondContact O-N 3.27Å; T369-V373 WeakPolarHBondContact O-CG2 3.45Å; T369-V373 PolarHBondContact O-N 3.03Å |
| 370 | T | 94.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.1 | -43 | 176.2 | -58.4 | 0 | 0 | 0 | 0 | 111.6 | Y366 V367 Q368 H374 F402 I403 V452 | Y366-T370 PolarHBondContact O-N 2.88Å; Y366-T370 VanDerWaalsContact O-N 3.12Å; Y366-T370 PolarHBondContact O-OG1 3.22Å; V367-T370 PolarHBondContact O-N 3.32Å; Q368-T370 VanDerWaalsContact C-N 3.28Å; Q368-T370 PolarHBondContact O-N 3.22Å; T370-H374 PolarHBondContact O-N 3.43Å; T370-H374 VanDerWaalsContact O-N 3.14Å; T370-F402 HydrophobicContact CG2-CE2 4.08Å; T370-F402 HydrophobicContact CG2-CZ 4.35Å; T370-I403 HydrophobicContact CG2-CD1 3.63Å; T370-I403 HydrophobicContact CG2-CG1 3.67Å; T370-V452 HydrophobicContact CG2-CG1 4.04Å; T370-V452 HydrophobicContact CG2-CG2 4.05Å |
| 371 | L | 94.4 | Very high | 93.4 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.4 | -40.2 | 178.1 | -78.3 | 170.4 | 0 | 0 | 0 | 112.6 | V367 Q368 H374 K375 Q448 V452 | V367-L371 HydrophobicContact CG1-CD1 3.88Å; V367-L371 HydrophobicContact CG1-CG 4.36Å; V367-L371 WeakPolarHBondContact O-CB 3.4Å; V367-L371 WeakPolarHBondContact O-CG 3.34Å; V367-L371 PolarHBondContact O-N 3.5Å; Q368-L371 WeakPolarHBondContact O-CB 3.4Å; Q368-L371 PolarHBondContact O-N 2.89Å; Q368-L371 VanDerWaalsContact O-N 3.11Å; L371-H374 PolarHBondContact O-N 3.45Å; L371-K375 WeakPolarHBondContact O-CB 3.31Å; L371-K375 VanDerWaalsContact O-CG 3.3Å; L371-K375 WeakPolarHBondContact O-CG 3.29Å; L371-K375 PolarHBondContact O-N 2.9Å; L371-Q448 HydrophobicContact CD1-CB 3.87Å; L371-Q448 HydrophobicContact CD2-CB 3.98Å; L371-Q448 WeakPolarHBondContact CD2-O 3.32Å; L371-V452 HydrophobicContact CD2-CG2 3.56Å; L371-V452 HydrophobicContact CG-CG2 3.73Å |
| 372 | D | 95.1 | Very high | 93.9 | Very high | 80 Ų | 80 | 41 Ų | 41 | 43% | 0.428 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.5 | -42.3 | -178.6 | -66 | -20.9 | 0 | 0 | 0 | 111 | Q368 T369 K375 K376 | Q368-D372 PolarHBondContact NE2-OD1 3.33Å; Q368-D372 PolarHBondContact O-N 3.38Å; T369-D372 PolarHBondContact O-N 3.27Å; D372-K375 PolarHBondContact O-N 3.41Å; D372-K376 WeakPolarHBondContact O-CB 3.31Å; D372-K376 PolarHBondContact O-N 2.91Å |
| 373 | V | 95.5 | Very high | 94.1 | Very high | 15 Ų | 15 | 41.3 Ų | 41.3 | 9% | 0.091 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.5 | -49.8 | 172.6 | 174 | 0 | 0 | 0 | 0 | 110.5 | A351 T369 K375 K376 Y377 F402 | A351-V373 HydrophobicContact CB-CG2 3.72Å; T369-V373 WeakPolarHBondContact O-CG2 3.45Å; T369-V373 PolarHBondContact O-N 3.03Å; V373-K375 PolarHBondContact O-N 2.88Å; V373-K376 PolarHBondContact O-N 3.46Å; V373-Y377 HydrophobicContact CG1-CD2 3.97Å; V373-Y377 HydrophobicContact CG1-CE2 4.03Å; V373-Y377 VanDerWaalsContact O-CD2 3.24Å; V373-Y377 WeakPolarHBondContact O-CD2 3.34Å; V373-Y377 PolarHBondContact O-N 3.37Å; V373-F402 HydrophobicContact CB-CZ 4.44Å; V373-F402 HydrophobicContact CG1-CE1 4.19Å; V373-F402 HydrophobicContact CG1-CZ 4Å |
| 374 | H | 95.8 | Very high | 94.3 | Very high | 24 Ų | 24 | 40.6 Ų | 40.6 | 11% | 0.111 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.8 | -46.4 | 178.2 | 174.2 | -80.6 | 0 | 0 | 0 | 111.9 | T370 L371 K376 Y377 N378 Y455 | T370-H374 PolarHBondContact O-N 3.43Å; T370-H374 VanDerWaalsContact O-N 3.14Å; L371-H374 PolarHBondContact O-N 3.45Å; H374-K376 PolarHBondContact O-N 2.88Å; H374-Y377 PolarHBondContact O-N 3.03Å; H374-N378 WeakPolarHBondContact O-CB 3.5Å; H374-N378 PolarHBondContact O-N 2.86Å; H374-Y455 AromaticContact CD2-CE2 3.69Å; H374-Y455 AromaticContact NE2-CE2 3.97Å; H374-Y455 PolarHBondContact NE2-OH 3.19Å |
| 375 | K | 95.3 | Very high | 94.4 | Very high | 89 Ų | 89 | 34.6 Ų | 34.6 | 39% | 0.387 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.2 | -44.2 | -179.8 | -76.4 | 176.4 | -175.6 | 175.5 | 0 | 111.9 | L371 D372 V373 A379 | L371-K375 WeakPolarHBondContact O-CB 3.31Å; L371-K375 VanDerWaalsContact O-CG 3.3Å; L371-K375 WeakPolarHBondContact O-CG 3.29Å; L371-K375 PolarHBondContact O-N 2.9Å; D372-K375 PolarHBondContact O-N 3.41Å; V373-K375 PolarHBondContact O-N 2.88Å; K375-A379 WeakPolarHBondContact O-CB 3.41Å; K375-A379 PolarHBondContact O-N 2.82Å |
| 376 | K | 95.2 | Very high | 94.4 | Very high | 89 Ų | 89 | 37.2 Ų | 37.2 | 39% | 0.387 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -55.7 | -54 | 177.9 | 179.9 | -177.6 | 177.1 | -178.2 | 0 | 111.2 | D314 D372 V373 H374 A379 L380 | D314-K376 WeakPolarHBondContact OD1-CE 3.46Å; D314-K376 IonicContact OD1-NZ 2.81Å; D314-K376 PolarHBondContact OD1-NZ 3Å; D314-K376 IonicContact OD2-NZ 3.11Å; D314-K376 PolarHBondContact OD2-NZ 3.38Å; D372-K376 WeakPolarHBondContact O-CB 3.31Å; D372-K376 PolarHBondContact O-N 2.91Å; V373-K376 PolarHBondContact O-N 3.46Å; H374-K376 PolarHBondContact O-N 2.88Å; K376-A379 PolarHBondContact O-N 3.24Å; K376-L380 PolarHBondContact O-N 3.24Å; K376-L380 VanDerWaalsContact O-N 3.16Å |
| 377 | Y | 95.6 | Very high | 94.4 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -79 | -28.1 | -175.4 | -67.3 | -68.7 | 0 | 0 | 0 | 113.5 | H343 I344 Q347 V373 H374 A379 L380 V381 | H343-Y377 AromaticContact CD2-CE1 3.66Å; H343-Y377 AromaticContact CD2-CZ 3.79Å; H343-Y377 PolarHBondContact CD2-OH 2.92Å; H343-Y377 AromaticContact NE2-CE1 3.63Å; H343-Y377 AromaticContact NE2-CZ 3.61Å; H343-Y377 PolarHBondContact NE2-OH 3.32Å; I344-Y377 HydrophobicContact CB-CD2 4.39Å; I344-Y377 HydrophobicContact CD1-CD1 4.14Å; I344-Y377 HydrophobicContact CD1-CG 3.92Å; I344-Y377 HydrophobicContact CG1-CD1 3.69Å; I344-Y377 HydrophobicContact CG1-CD2 3.88Å; I344-Y377 HydrophobicContact CG1-CE1 4.06Å; I344-Y377 HydrophobicContact CG1-CE2 4.24Å; I344-Y377 HydrophobicContact CG1-CG 3.6Å; I344-Y377 HydrophobicContact CG2-CD2 4.02Å; I344-Y377 HydrophobicContact CG2-CE2 4.5Å; I344-Y377 HydrophobicContact CG2-CG 4.44Å; Q347-Y377 HydrophobicContact CB-CE2 4.15Å; Q347-Y377 WeakPolarHBondContact CB-OH 3.36Å; Q347-Y377 VanDerWaalsContact CG-OH 3.26Å; Q347-Y377 WeakPolarHBondContact CG-OH 3.48Å; V373-Y377 HydrophobicContact CG1-CD2 3.97Å; V373-Y377 HydrophobicContact CG1-CE2 4.03Å; V373-Y377 VanDerWaalsContact O-CD2 3.24Å; V373-Y377 WeakPolarHBondContact O-CD2 3.34Å; V373-Y377 PolarHBondContact O-N 3.37Å; H374-Y377 PolarHBondContact O-N 3.03Å; Y377-A379 VanDerWaalsContact C-N 3.35Å; Y377-L380 HydrophobicContact CD1-CD2 4.07Å; Y377-L380 WeakPolarHBondContact O-CB 3.32Å; Y377-L380 PolarHBondContact O-N 3.48Å; Y377-V381 VanDerWaalsContact O-CG2 3.3Å; Y377-V381 WeakPolarHBondContact O-CG2 3.45Å; Y377-V381 PolarHBondContact O-N 2.83Å |
| 378 | N | 94.7 | Very high | 94.4 | Very high | 58 Ų | 58 | 43.3 Ų | 43.3 | 31% | 0.31 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.8 | -44 | 169.8 | -172.1 | 30.2 | 0 | 0 | 0 | 110.9 | H374 L380 V381 M382 L395 | H374-N378 WeakPolarHBondContact O-CB 3.5Å; H374-N378 PolarHBondContact O-N 2.86Å; N378-L380 VanDerWaalsContact C-N 3.33Å; N378-L380 PolarHBondContact O-N 3.46Å; N378-V381 PolarHBondContact O-N 3.22Å; N378-M382 VanDerWaalsContact O-CG 3.32Å; N378-M382 WeakPolarHBondContact O-CG 3.45Å; N378-M382 PolarHBondContact O-N 3.27Å; N378-L395 HydrophobicContact CB-CD2 3.96Å |
| 379 | A | 95.3 | Very high | 94.5 | Very high | 58 Ų | 58 | 44.2 Ų | 44.2 | 48% | 0.479 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.4 | -44.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | K375 K376 Y377 V381 M382 S383 | K375-A379 WeakPolarHBondContact O-CB 3.41Å; K375-A379 PolarHBondContact O-N 2.82Å; K376-A379 PolarHBondContact O-N 3.24Å; Y377-A379 VanDerWaalsContact C-N 3.35Å; A379-V381 PolarHBondContact O-N 2.87Å; A379-M382 PolarHBondContact O-N 3.02Å; A379-S383 WeakPolarHBondContact O-CB 3.48Å; A379-S383 PolarHBondContact O-N 3.31Å; A379-S383 PolarHBondContact O-OG 3.47Å; A379-S383 VanDerWaalsContact O-OG 3.04Å |
| 380 | L | 94.6 | Very high | 94.5 | Very high | 7 Ų | 7 | 44 Ų | 44 | 4% | 0.037 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.8 | -48.3 | 174.1 | 174.4 | 65.8 | 0 | 0 | 0 | 112 | L311 N316 L319 L340 K376 Y377 N378 M382 S383 A384 F385 | L311-L380 HydrophobicContact CD2-CD2 3.99Å; N316-L380 HydrophobicContact CB-CD1 4.07Å; N316-L380 WeakPolarHBondContact OD1-CD1 3.32Å; L319-L380 HydrophobicContact CD1-CD1 3.87Å; L319-L380 HydrophobicContact CD1-CD2 4.28Å; L340-L380 HydrophobicContact CD1-CD2 4.11Å; K376-L380 PolarHBondContact O-N 3.24Å; K376-L380 VanDerWaalsContact O-N 3.16Å; Y377-L380 HydrophobicContact CD1-CD2 4.07Å; Y377-L380 WeakPolarHBondContact O-CB 3.32Å; Y377-L380 PolarHBondContact O-N 3.48Å; N378-L380 VanDerWaalsContact C-N 3.33Å; N378-L380 PolarHBondContact O-N 3.46Å; L380-M382 VanDerWaalsContact C-N 3.34Å; L380-M382 PolarHBondContact O-N 2.86Å; L380-S383 PolarHBondContact O-N 3.4Å; L380-A384 HydrophobicContact CD1-CB 3.64Å; L380-A384 WeakPolarHBondContact O-CB 3.15Å; L380-A384 PolarHBondContact O-N 3.31Å; L380-F385 HydrophobicContact CD1-CE2 4.41Å; L380-F385 HydrophobicContact CD1-CZ 4.34Å; L380-F385 HydrophobicContact CD2-CE2 4.03Å; L380-F385 HydrophobicContact CD2-CZ 4.34Å; L380-F385 HydrophobicContact CG-CE2 3.86Å; L380-F385 HydrophobicContact CG-CZ 4.24Å |
| 381 | V | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.5 | -39 | 180 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | L340 Y377 N378 A379 F385 N387 F391 V392 L395 | L340-V381 HydrophobicContact CD2-CG2 4.05Å; Y377-V381 VanDerWaalsContact O-CG2 3.3Å; Y377-V381 WeakPolarHBondContact O-CG2 3.45Å; Y377-V381 PolarHBondContact O-N 2.83Å; N378-V381 PolarHBondContact O-N 3.22Å; A379-V381 PolarHBondContact O-N 2.87Å; V381-F385 HydrophobicContact CB-CD2 4.43Å; V381-F385 HydrophobicContact CG2-CD2 4.08Å; V381-F385 CarbonylContact O-C 3.58Å; V381-F385 PolarHBondContact O-N 3.12Å; V381-N387 PolarHBondContact O-N 3.34Å; V381-N387 VanDerWaalsContact O-N 3.15Å; V381-F391 HydrophobicContact CG1-CB 4.04Å; V381-F391 HydrophobicContact CG2-CB 4.4Å; V381-V392 HydrophobicContact CG1-CG2 3.66Å; V381-L395 HydrophobicContact CG2-CB 4.49Å; V381-L395 HydrophobicContact CG2-CD2 4.41Å |
| 382 | M | 94 | Very high | 94.7 | Very high | 76 Ų | 76 | 45.6 Ų | 45.6 | 37% | 0.374 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.9 | -44.2 | 176.7 | -67.9 | -54.5 | 98.4 | 0 | 0 | 112.3 | N378 A379 L380 N387 V392 | N378-M382 VanDerWaalsContact O-CG 3.32Å; N378-M382 WeakPolarHBondContact O-CG 3.45Å; N378-M382 PolarHBondContact O-N 3.27Å; A379-M382 PolarHBondContact O-N 3.02Å; L380-M382 VanDerWaalsContact C-N 3.34Å; L380-M382 PolarHBondContact O-N 2.86Å; M382-N387 HydrophobicContact CE-CB 3.88Å; M382-N387 WeakPolarHBondContact CE-OD1 3.49Å; M382-N387 HydrophobicContact SD-CB 3.95Å; M382-V392 HydrophobicContact CE-CG2 4.11Å |
| 383 | S | 92.9 | Very high | 94.7 | Very high | 79 Ų | 79 | 44.3 Ų | 44.3 | 55% | 0.552 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -88 | -45.1 | -171.8 | 68.1 | 0 | 0 | 0 | 0 | 113.9 | A379 L380 | A379-S383 WeakPolarHBondContact O-CB 3.48Å; A379-S383 PolarHBondContact O-N 3.31Å; A379-S383 PolarHBondContact O-OG 3.47Å; A379-S383 VanDerWaalsContact O-OG 3.04Å; L380-S383 PolarHBondContact O-N 3.4Å |
| 384 | A | 93.4 | Very high | 94.8 | Very high | 7 Ų | 7 | 43.8 Ų | 43.8 | 6% | 0.058 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -91.6 | -30.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G320 L380 | G320-A384 VanDerWaalsContact CA-O 3.26Å; G320-A384 WeakPolarHBondContact CA-O 3.35Å; L380-A384 HydrophobicContact CD1-CB 3.64Å; L380-A384 WeakPolarHBondContact O-CB 3.15Å; L380-A384 PolarHBondContact O-N 3.31Å |
| 385 | F | 94.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -111.3 | 18.6 | -174.6 | -49.9 | -38.5 | 0 | 0 | 0 | 113.3 | F307 L319 Y323 L340 L380 V381 N387 D388 F391 | F307-F385 HydrophobicContact CE2-CE1 4.16Å; F307-F385 AromaticContact CE2-CZ 3.98Å; F307-F385 HydrophobicContact CE2-CZ 3.98Å; F307-F385 HydrophobicContact CZ-CE1 4.43Å; F307-F385 AromaticContact CZ-CZ 3.89Å; F307-F385 HydrophobicContact CZ-CZ 3.89Å; L319-F385 HydrophobicContact CB-CE1 4.07Å; L319-F385 HydrophobicContact CB-CZ 4.23Å; Y323-F385 HydrophobicContact CD2-CB 4.16Å; Y323-F385 AromaticContact CD2-CD1 3.99Å; Y323-F385 HydrophobicContact CD2-CD1 3.99Å; Y323-F385 HydrophobicContact CD2-CG 4.42Å; Y323-F385 HydrophobicContact CE2-CB 4.3Å; Y323-F385 HydrophobicContact CG-CB 4.41Å; Y323-F385 AromaticContact CG-CD1 3.84Å; Y323-F385 HydrophobicContact CG-CD1 3.84Å; L340-F385 HydrophobicContact CD1-CE2 4.3Å; L340-F385 HydrophobicContact CD2-CD2 4.31Å; L340-F385 HydrophobicContact CD2-CE2 3.89Å; L380-F385 HydrophobicContact CD1-CE2 4.41Å; L380-F385 HydrophobicContact CD1-CZ 4.34Å; L380-F385 HydrophobicContact CD2-CE2 4.03Å; L380-F385 HydrophobicContact CD2-CZ 4.34Å; L380-F385 HydrophobicContact CG-CE2 3.86Å; L380-F385 HydrophobicContact CG-CZ 4.24Å; V381-F385 HydrophobicContact CB-CD2 4.43Å; V381-F385 HydrophobicContact CG2-CD2 4.08Å; V381-F385 CarbonylContact O-C 3.58Å; V381-F385 PolarHBondContact O-N 3.12Å; F385-N387 PolarHBondContact O-N 2.7Å; F385-D388 VanDerWaalsContact O-CB 3.32Å; F385-D388 WeakPolarHBondContact O-CB 3.15Å; F385-D388 PolarHBondContact O-N 3.34Å; F385-F391 HydrophobicContact CB-CB 4.33Å; F385-F391 HydrophobicContact CB-CD2 4.12Å; F385-F391 HydrophobicContact CB-CG 4.17Å; F385-F391 HydrophobicContact CD2-CB 4.16Å; F385-F391 AromaticContact CD2-CD1 3.75Å; F385-F391 HydrophobicContact CD2-CD1 3.75Å; F385-F391 HydrophobicContact CD2-CE1 4.19Å; F385-F391 AromaticContact CD2-CG 3.9Å; F385-F391 HydrophobicContact CD2-CG 3.9Å; F385-F391 HydrophobicContact CE2-CD1 4.03Å; F385-F391 HydrophobicContact CE2-CE1 4.21Å; F385-F391 HydrophobicContact CG-CD1 4.26Å; F385-F391 HydrophobicContact CG-CD2 4.32Å; F385-F391 HydrophobicContact CG-CE1 4.49Å; F385-F391 HydrophobicContact CG-CG 4.14Å; F385-F391 HydrophobicContact CZ-CE1 4.48Å |
| 386 | N | 92.3 | Very high | 94.8 | Very high | 103 Ų | 103 | 40.7 Ų | 40.7 | 55% | 0.551 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 33.5 | 175.5 | -65 | -23.5 | 0 | 0 | 0 | 114.8 | Y323 D388 | Y323-N386 HydrophobicContact CE1-CB 4.17Å; N386-D388 VanDerWaalsContact C-N 3.26Å; N386-D388 PolarHBondContact O-N 3.03Å |
| 387 | N | 93.4 | Very high | 94.8 | Very high | 93 Ų | 93 | 42 Ų | 42 | 50% | 0.497 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 37.7 | -175.6 | -171.5 | 30.3 | 0 | 0 | 0 | 113.3 | V381 M382 F385 A389 V392 | V381-N387 PolarHBondContact O-N 3.34Å; V381-N387 VanDerWaalsContact O-N 3.15Å; M382-N387 HydrophobicContact CE-CB 3.88Å; M382-N387 WeakPolarHBondContact CE-OD1 3.49Å; M382-N387 HydrophobicContact SD-CB 3.95Å; F385-N387 PolarHBondContact O-N 2.7Å; N387-A389 PolarHBondContact O-N 3.14Å; N387-V392 WeakPolarHBondContact OD1-CG2 3.4Å |
| 388 | D | 94.4 | Very high | 94.8 | Very high | 36 Ų | 36 | 41.8 Ų | 41.8 | 19% | 0.193 | 26% | 0.257 | C | S | . | . | trans | -59.9 | 126.6 | 174.7 | 179.7 | -94.1 | 0 | 0 | 0 | 111.5 | Y323 K337 F385 N386 G390 F391 V392 | Y323-D388 HydrophobicContact CE2-CB 4.1Å; K337-D388 WeakPolarHBondContact CE-OD1 3.39Å; K337-D388 IonicContact NZ-OD1 3.91Å; K337-D388 PolarHBondContact NZ-OD1 3.3Å; K337-D388 VanDerWaalsContact NZ-OD1 3.1Å; F385-D388 VanDerWaalsContact O-CB 3.32Å; F385-D388 WeakPolarHBondContact O-CB 3.15Å; F385-D388 PolarHBondContact O-N 3.34Å; N386-D388 VanDerWaalsContact C-N 3.26Å; N386-D388 PolarHBondContact O-N 3.03Å; D388-G390 PolarHBondContact O-N 2.87Å; D388-G390 VanDerWaalsContact O-N 3.14Å; D388-G390 VanDerWaalsContact OD1-CA 3.32Å; D388-G390 WeakPolarHBondContact OD1-CA 3.46Å; D388-G390 PolarHBondContact OD1-N 2.92Å; D388-F391 HydrophobicContact CB-CB 4.38Å; D388-F391 HydrophobicContact CB-CD2 3.86Å; D388-F391 PolarHBondContact O-N 3.39Å; D388-F391 VanDerWaalsContact O-N 3.08Å; D388-F391 WeakPolarHBondContact OD1-CD2 3.49Å; D388-F391 PolarHBondContact OD1-N 3.3Å; D388-F391 VanDerWaalsContact OD1-N 3.15Å; D388-V392 WeakPolarHBondContact O-CG2 3.19Å; D388-V392 PolarHBondContact O-N 3.43Å | ||
| 389 | A | 94.3 | Very high | 94.8 | Very high | 80 Ų | 80 | 39 Ų | 39 | 66% | 0.661 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -58.8 | -31.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | N387 A393 | N387-A389 PolarHBondContact O-N 3.14Å; A389-A393 WeakPolarHBondContact O-CB 3.45Å; A389-A393 PolarHBondContact O-N 2.93Å |
| 390 | G | 94.4 | Very high | 94.7 | Very high | 21 Ų | 21 | 37.2 Ų | 37.2 | 22% | 0.216 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -74 | -36.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | D388 A393 A394 | D388-G390 PolarHBondContact O-N 2.87Å; D388-G390 VanDerWaalsContact O-N 3.14Å; D388-G390 VanDerWaalsContact OD1-CA 3.32Å; D388-G390 WeakPolarHBondContact OD1-CA 3.46Å; D388-G390 PolarHBondContact OD1-N 2.92Å; G390-A393 PolarHBondContact O-N 3.38Å; G390-A394 PolarHBondContact O-N 3.48Å |
| 391 | F | 96 | Very high | 94.6 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -72.2 | -35.8 | 172.8 | -77.3 | -80.1 | 0 | 0 | 0 | 112.2 | F307 Y323 L333 L336 K337 L340 V381 F385 D388 A393 A394 L395 | F307-F391 HydrophobicContact CZ-CE1 4.29Å; Y323-F391 HydrophobicContact CD2-CD2 4.24Å; Y323-F391 AromaticContact CD2-CE2 3.61Å; Y323-F391 HydrophobicContact CD2-CE2 3.61Å; Y323-F391 HydrophobicContact CD2-CZ 4.25Å; Y323-F391 HydrophobicContact CE2-CD2 4.06Å; Y323-F391 AromaticContact CE2-CE2 3.74Å; Y323-F391 HydrophobicContact CE2-CE2 3.74Å; L333-F391 HydrophobicContact CD1-CE2 4.48Å; L333-F391 HydrophobicContact CD2-CE2 4.23Å; L336-F391 HydrophobicContact CB-CE1 4.2Å; L336-F391 HydrophobicContact CB-CZ 3.82Å; K337-F391 HydrophobicContact CG-CD1 3.94Å; K337-F391 HydrophobicContact CG-CD2 3.97Å; K337-F391 HydrophobicContact CG-CE1 3.91Å; K337-F391 HydrophobicContact CG-CE2 3.9Å; K337-F391 HydrophobicContact CG-CG 4.02Å; K337-F391 HydrophobicContact CG-CZ 3.9Å; L340-F391 HydrophobicContact CB-CD1 4.35Å; L340-F391 HydrophobicContact CB-CE1 4.4Å; L340-F391 HydrophobicContact CD2-CB 4.49Å; L340-F391 HydrophobicContact CD2-CD1 3.56Å; L340-F391 HydrophobicContact CD2-CE1 4.3Å; V381-F391 HydrophobicContact CG1-CB 4.04Å; V381-F391 HydrophobicContact CG2-CB 4.4Å; F385-F391 HydrophobicContact CB-CB 4.33Å; F385-F391 HydrophobicContact CB-CD2 4.12Å; F385-F391 HydrophobicContact CB-CG 4.17Å; F385-F391 HydrophobicContact CD2-CB 4.16Å; F385-F391 AromaticContact CD2-CD1 3.75Å; F385-F391 HydrophobicContact CD2-CD1 3.75Å; F385-F391 HydrophobicContact CD2-CE1 4.19Å; F385-F391 AromaticContact CD2-CG 3.9Å; F385-F391 HydrophobicContact CD2-CG 3.9Å; F385-F391 HydrophobicContact CE2-CD1 4.03Å; F385-F391 HydrophobicContact CE2-CE1 4.21Å; F385-F391 HydrophobicContact CG-CD1 4.26Å; F385-F391 HydrophobicContact CG-CD2 4.32Å; F385-F391 HydrophobicContact CG-CE1 4.49Å; F385-F391 HydrophobicContact CG-CG 4.14Å; F385-F391 HydrophobicContact CZ-CE1 4.48Å; D388-F391 HydrophobicContact CB-CB 4.38Å; D388-F391 HydrophobicContact CB-CD2 3.86Å; D388-F391 PolarHBondContact O-N 3.39Å; D388-F391 VanDerWaalsContact O-N 3.08Å; D388-F391 WeakPolarHBondContact OD1-CD2 3.49Å; D388-F391 PolarHBondContact OD1-N 3.3Å; D388-F391 VanDerWaalsContact OD1-N 3.15Å; F391-A393 VanDerWaalsContact C-N 3.34Å; F391-A394 WeakPolarHBondContact O-CB 3.45Å; F391-A394 PolarHBondContact O-N 2.94Å; F391-L395 PolarHBondContact O-N 3.44Å |
| 392 | V | 96.4 | Very high | 94.5 | Very high | 38 Ų | 38 | 43.1 Ų | 43.1 | 23% | 0.23 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 169.7 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | V381 M382 N387 D388 A394 L395 D396 | V381-V392 HydrophobicContact CG1-CG2 3.66Å; M382-V392 HydrophobicContact CE-CG2 4.11Å; N387-V392 WeakPolarHBondContact OD1-CG2 3.4Å; D388-V392 WeakPolarHBondContact O-CG2 3.19Å; D388-V392 PolarHBondContact O-N 3.43Å; V392-A394 VanDerWaalsContact C-N 3.33Å; V392-A394 PolarHBondContact O-N 3.07Å; V392-L395 PolarHBondContact O-N 2.9Å; V392-D396 WeakPolarHBondContact O-CB 3.29Å; V392-D396 PolarHBondContact O-N 3.33Å |
| 393 | A | 95.9 | Very high | 94.5 | Very high | 53 Ų | 53 | 39.6 Ų | 39.6 | 44% | 0.438 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.3 | -37.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A389 G390 F391 D396 K397 | A389-A393 WeakPolarHBondContact O-CB 3.45Å; A389-A393 PolarHBondContact O-N 2.93Å; G390-A393 PolarHBondContact O-N 3.38Å; F391-A393 VanDerWaalsContact C-N 3.34Å; A393-D396 PolarHBondContact O-N 2.95Å; A393-K397 VanDerWaalsContact O-CB 3.27Å; A393-K397 WeakPolarHBondContact O-CB 3.15Å; A393-K397 PolarHBondContact O-N 3.27Å |
| 394 | A | 96.3 | Very high | 94.3 | Very high | 5 Ų | 5 | 36.5 Ų | 36.5 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.9 | -45 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | K337 E341 G390 F391 V392 K397 A398 | K337-A394 HydrophobicContact CB-CB 4.43Å; K337-A394 WeakPolarHBondContact O-CB 3.35Å; E341-A394 HydrophobicContact CB-CB 4.18Å; G390-A394 PolarHBondContact O-N 3.48Å; F391-A394 WeakPolarHBondContact O-CB 3.45Å; F391-A394 PolarHBondContact O-N 2.94Å; V392-A394 VanDerWaalsContact C-N 3.33Å; V392-A394 PolarHBondContact O-N 3.07Å; A394-K397 PolarHBondContact O-N 3.25Å; A394-A398 WeakPolarHBondContact O-CB 3.36Å; A394-A398 PolarHBondContact O-N 3.15Å |
| 395 | L | 96.4 | Very high | 94.1 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.9 | -49.3 | 172.8 | 169.7 | 64.8 | 0 | 0 | 0 | 111.5 | I344 N378 V381 F391 V392 K397 A398 C399 | I344-L395 HydrophobicContact CD1-CB 4.24Å; I344-L395 HydrophobicContact CD1-CD1 3.78Å; I344-L395 HydrophobicContact CG2-CD1 4.27Å; N378-L395 HydrophobicContact CB-CD2 3.96Å; V381-L395 HydrophobicContact CG2-CB 4.49Å; V381-L395 HydrophobicContact CG2-CD2 4.41Å; F391-L395 PolarHBondContact O-N 3.44Å; V392-L395 PolarHBondContact O-N 2.9Å; L395-K397 VanDerWaalsContact C-N 3.32Å; L395-K397 PolarHBondContact O-N 2.91Å; L395-A398 PolarHBondContact O-N 3.45Å; L395-C399 WeakPolarHBondContact O-CB 3.35Å; L395-C399 PolarHBondContact O-N 3.41Å; L395-C399 PolarHBondContact O-SG 3.33Å |
| 396 | D | 94.9 | Very high | 93.7 | Very high | 45 Ų | 45 | 40.6 Ų | 40.6 | 24% | 0.241 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.7 | -43.4 | -179.7 | -89.5 | -13.5 | 0 | 0 | 0 | 111.4 | V392 A393 G400 K454 Y455 | V392-D396 WeakPolarHBondContact O-CB 3.29Å; V392-D396 PolarHBondContact O-N 3.33Å; A393-D396 PolarHBondContact O-N 2.95Å; D396-G400 PolarHBondContact O-N 2.97Å; D396-K454 IonicContact OD1-NZ 3.39Å; D396-K454 PolarHBondContact OD1-NZ 3.43Å; D396-K454 IonicContact OD2-NZ 2.7Å; D396-K454 PolarHBondContact OD2-NZ 2.96Å; D396-Y455 HydrophobicContact CB-CE1 4.05Å; D396-Y455 WeakPolarHBondContact OD1-CE1 3.47Å; D396-Y455 VanDerWaalsContact OD1-CZ 3.27Å; D396-Y455 PolarHBondContact OD1-OH 3.3Å |
| 397 | K | 94.7 | Very high | 93.3 | Very high | 117 Ų | 117 | 36.3 Ų | 36.3 | 51% | 0.509 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -67.9 | -41.6 | 178.5 | -173 | 172.4 | 165.3 | -141.7 | 0 | 111.8 | E341 A393 A394 L395 G400 R401 | E341-K397 VanDerWaalsContact CD-NZ 3.33Å; E341-K397 WeakPolarHBondContact OE1-CD 3.33Å; E341-K397 WeakPolarHBondContact OE1-CE 3.26Å; E341-K397 IonicContact OE1-NZ 3.83Å; E341-K397 PolarHBondContact OE1-NZ 3.45Å; E341-K397 VanDerWaalsContact OE1-NZ 3.07Å; E341-K397 WeakPolarHBondContact OE2-CD 3.4Å; E341-K397 WeakPolarHBondContact OE2-CE 3.24Å; E341-K397 IonicContact OE2-NZ 3.97Å; E341-K397 PolarHBondContact OE2-NZ 3.08Å; A393-K397 VanDerWaalsContact O-CB 3.27Å; A393-K397 WeakPolarHBondContact O-CB 3.15Å; A393-K397 PolarHBondContact O-N 3.27Å; A394-K397 PolarHBondContact O-N 3.25Å; L395-K397 VanDerWaalsContact C-N 3.32Å; L395-K397 PolarHBondContact O-N 2.91Å; K397-G400 PolarHBondContact O-N 2.98Å; K397-R401 WeakPolarHBondContact O-CG 3.4Å; K397-R401 PolarHBondContact O-N 3.21Å |
| 398 | A | 96.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.2 | -47.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E341 I344 H345 A394 L395 G400 R401 F402 | E341-A398 HydrophobicContact CG-CB 4.09Å; E341-A398 WeakPolarHBondContact O-CB 3.46Å; I344-A398 HydrophobicContact CB-CB 3.69Å; I344-A398 HydrophobicContact CG2-CB 3.58Å; H345-A398 HydrophobicContact CB-CB 4.48Å; A394-A398 WeakPolarHBondContact O-CB 3.36Å; A394-A398 PolarHBondContact O-N 3.15Å; L395-A398 PolarHBondContact O-N 3.45Å; A398-G400 PolarHBondContact O-N 3.1Å; A398-R401 PolarHBondContact O-N 3.39Å; A398-F402 WeakPolarHBondContact O-CD1 3.41Å; A398-F402 PolarHBondContact O-N 3.25Å |
| 399 | C | 95.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.7 | -47.2 | 175.5 | -67.7 | 0 | 0 | 0 | 0 | 111.8 | L395 R401 F402 I403 Y455 | L395-C399 WeakPolarHBondContact O-CB 3.35Å; L395-C399 PolarHBondContact O-N 3.41Å; L395-C399 PolarHBondContact O-SG 3.33Å; C399-R401 PolarHBondContact O-N 3.36Å; C399-F402 VanDerWaalsContact CA-CE1 3.46Å; C399-F402 HydrophobicContact CB-CE1 4.12Å; C399-F402 PolarHBondContact O-N 2.54Å; C399-I403 HydrophobicContact CB-CD1 4.2Å; C399-I403 VanDerWaalsContact O-CB 3.26Å; C399-I403 WeakPolarHBondContact O-CB 3.45Å; C399-I403 WeakPolarHBondContact O-CD1 3.32Å; C399-I403 WeakPolarHBondContact O-CG1 3.41Å; C399-I403 PolarHBondContact O-N 2.95Å; C399-Y455 HydrophobicContact CB-CD1 3.76Å; C399-Y455 HydrophobicContact CB-CD2 3.96Å; C399-Y455 HydrophobicContact CB-CE1 3.81Å; C399-Y455 HydrophobicContact CB-CE2 3.99Å; C399-Y455 HydrophobicContact CB-CG 3.86Å |
| 400 | G | 92.9 | Very high | 91.8 | Very high | 19 Ų | 19 | 33.4 Ų | 33.4 | 20% | 0.196 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -56.1 | -36.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | D396 K397 A398 N404 | D396-G400 PolarHBondContact O-N 2.97Å; K397-G400 PolarHBondContact O-N 2.98Å; A398-G400 PolarHBondContact O-N 3.1Å; G400-N404 PolarHBondContact O-ND2 3.01Å |
| 401 | R | 92.7 | Very high | 91.1 | Very high | 132 Ų | 132 | 36.9 Ų | 36.9 | 50% | 0.498 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -74.5 | -50.1 | 180 | -70.6 | 179.3 | 81.7 | -177.3 | 0.9 | 113.1 | E341 K397 A398 C399 N405 | E341-R401 IonicContact OE1-NH1 2.86Å; E341-R401 PolarHBondContact OE1-NH1 3.25Å; K397-R401 WeakPolarHBondContact O-CG 3.4Å; K397-R401 PolarHBondContact O-N 3.21Å; A398-R401 PolarHBondContact O-N 3.39Å; C399-R401 PolarHBondContact O-N 3.36Å; R401-N405 PolarHBondContact O-N 3.19Å; R401-N405 VanDerWaalsContact O-N 3.12Å |
| 402 | F | 93.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -77.2 | -28.8 | -174.6 | 82 | -104.7 | 0 | 0 | 0 | 113 | I344 L349 I352 T370 V373 A398 C399 N404 N405 N406 | I344-F402 HydrophobicContact CG2-CE1 4.48Å; L349-F402 HydrophobicContact CD2-CB 4.27Å; L349-F402 HydrophobicContact CG-CB 4.3Å; I352-F402 HydrophobicContact CD1-CD2 3.9Å; I352-F402 HydrophobicContact CD1-CE2 4.16Å; T370-F402 HydrophobicContact CG2-CE2 4.08Å; T370-F402 HydrophobicContact CG2-CZ 4.35Å; V373-F402 HydrophobicContact CB-CZ 4.44Å; V373-F402 HydrophobicContact CG1-CE1 4.19Å; V373-F402 HydrophobicContact CG1-CZ 4Å; A398-F402 WeakPolarHBondContact O-CD1 3.41Å; A398-F402 PolarHBondContact O-N 3.25Å; C399-F402 VanDerWaalsContact CA-CE1 3.46Å; C399-F402 HydrophobicContact CB-CE1 4.12Å; C399-F402 PolarHBondContact O-N 2.54Å; F402-N404 VanDerWaalsContact C-N 3.34Å; F402-N404 PolarHBondContact O-N 2.91Å; F402-N405 CarbonylContact O-C 3.43Å; F402-N405 VanDerWaalsContact O-O 3.12Å; F402-N406 WeakPolarHBondContact O-CB 2.98Å; F402-N406 PolarHBondContact O-ND2 3.36Å |
| 403 | I | 92.6 | Very high | 89.4 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.6 | -36.6 | 178.8 | -68.4 | 170.9 | 0 | 0 | 0 | 111.2 | Y366 T370 C399 N406 S418 V452 Y455 I456 | Y366-I403 PolarHBondContact OH-O 2.95Å; T370-I403 HydrophobicContact CG2-CD1 3.63Å; T370-I403 HydrophobicContact CG2-CG1 3.67Å; C399-I403 HydrophobicContact CB-CD1 4.2Å; C399-I403 VanDerWaalsContact O-CB 3.26Å; C399-I403 WeakPolarHBondContact O-CB 3.45Å; C399-I403 WeakPolarHBondContact O-CD1 3.32Å; C399-I403 WeakPolarHBondContact O-CG1 3.41Å; C399-I403 PolarHBondContact O-N 2.95Å; I403-N406 PolarHBondContact O-ND2 3.34Å; I403-S418 WeakPolarHBondContact O-CB 3.34Å; I403-S418 PolarHBondContact O-OG 3.18Å; I403-V452 HydrophobicContact CD1-CG1 4.4Å; I403-V452 HydrophobicContact CG2-CG1 4.49Å; I403-Y455 HydrophobicContact CD1-CD2 3.79Å; I403-Y455 HydrophobicContact CD1-CG 3.95Å; I403-I456 HydrophobicContact CG2-CD1 3.69Å |
| 404 | N | 90.3 | Very high | 88.6 | Confident | 14 Ų | 14 | 44.9 Ų | 44.9 | 8% | 0.075 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -90.3 | -14 | -179.4 | -62.7 | -69.3 | 0 | 0 | 0 | 113.4 | G400 F402 Y455 E457 | G400-N404 PolarHBondContact O-ND2 3.01Å; F402-N404 VanDerWaalsContact C-N 3.34Å; F402-N404 PolarHBondContact O-N 2.91Å; N404-Y455 PolarHBondContact ND2-O 3.4Å; N404-E457 PolarHBondContact OD1-N 3.23Å |
| 405 | N | 88.2 | Confident | 87.7 | Confident | 93 Ų | 93 | 46.2 Ų | 46.2 | 50% | 0.497 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -142.3 | 104.6 | 174.6 | -173.6 | 3.7 | 0 | 0 | 0 | 110.8 | L349 R401 F402 | L349-N405 WeakPolarHBondContact CD2-O 3.33Å; R401-N405 PolarHBondContact O-N 3.19Å; R401-N405 VanDerWaalsContact O-N 3.12Å; F402-N405 CarbonylContact O-C 3.43Å; F402-N405 VanDerWaalsContact O-O 3.12Å |
| 406 | N | 86.5 | Confident | 87.1 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -147.1 | -175.8 | 179.7 | 55.1 | 58 | 0 | 0 | 0 | 112.4 | L349 I352 Y366 F402 I403 V408 T409 R410 | L349-N406 HydrophobicContact CD2-CB 3.97Å; I352-N406 HydrophobicContact CD1-CB 3.85Å; I352-N406 HydrophobicContact CG2-CB 4.15Å; Y366-N406 PolarHBondContact OH-ND2 3.24Å; Y366-N406 VanDerWaalsContact OH-ND2 3.08Å; F402-N406 WeakPolarHBondContact O-CB 2.98Å; F402-N406 PolarHBondContact O-ND2 3.36Å; I403-N406 PolarHBondContact O-ND2 3.34Å; N406-V408 VanDerWaalsContact C-N 3.31Å; N406-V408 PolarHBondContact O-N 2.89Å; N406-V408 WeakPolarHBondContact OD1-CA 3.49Å; N406-V408 VanDerWaalsContact OD1-CB 3.31Å; N406-V408 WeakPolarHBondContact OD1-CB 3.29Å; N406-V408 PolarHBondContact OD1-N 3.21Å; N406-T409 PolarHBondContact N-OG1 3.17Å; N406-T409 PolarHBondContact O-N 2.9Å; N406-T409 PolarHBondContact O-OG1 2.82Å; N406-T409 PolarHBondContact OD1-N 3.1Å; N406-R410 WeakPolarHBondContact O-CB 3.32Å; N406-R410 VanDerWaalsContact O-CG 3.32Å; N406-R410 WeakPolarHBondContact O-CG 3.38Å; N406-R410 PolarHBondContact O-N 3.11Å |
| 407 | A | 83.1 | Confident | 86.9 | Confident | 13 Ų | 13 | 45.9 Ų | 45.9 | 11% | 0.107 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.4 | -43.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I352 E353 R410 M411 | I352-A407 HydrophobicContact CG2-CB 4.48Å; E353-A407 HydrophobicContact CB-CB 4.25Å; A407-R410 PolarHBondContact O-N 2.93Å; A407-M411 WeakPolarHBondContact O-CB 3.44Å; A407-M411 WeakPolarHBondContact O-CG 3.28Å; A407-M411 PolarHBondContact O-N 3.16Å |
| 408 | V | 83.6 | Confident | 86.7 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.1 | -44.3 | -179 | 174.7 | 0 | 0 | 0 | 0 | 111.7 | I352 A359 L360 Y366 N406 R410 M411 A412 K417 L421 | I352-V408 HydrophobicContact CG2-CG2 3.81Å; A359-V408 HydrophobicContact CB-CG2 3.88Å; L360-V408 HydrophobicContact CD1-CG1 3.83Å; Y366-V408 HydrophobicContact CD2-CB 4.48Å; Y366-V408 HydrophobicContact CD2-CG2 4.05Å; Y366-V408 HydrophobicContact CE2-CB 4.24Å; Y366-V408 HydrophobicContact CE2-CG2 4.19Å; N406-V408 VanDerWaalsContact C-N 3.31Å; N406-V408 PolarHBondContact O-N 2.89Å; N406-V408 WeakPolarHBondContact OD1-CA 3.49Å; N406-V408 VanDerWaalsContact OD1-CB 3.31Å; N406-V408 WeakPolarHBondContact OD1-CB 3.29Å; N406-V408 PolarHBondContact OD1-N 3.21Å; V408-R410 VanDerWaalsContact C-N 3.31Å; V408-R410 PolarHBondContact O-N 3.49Å; V408-M411 PolarHBondContact O-N 3.47Å; V408-A412 WeakPolarHBondContact O-CB 3.4Å; V408-A412 PolarHBondContact O-N 3.24Å; V408-K417 HydrophobicContact CG1-CG 3.77Å; V408-L421 HydrophobicContact CG1-CD1 3.79Å |
| 409 | T | 83.8 | Confident | 86.6 | Confident | 7 Ų | 7 | 40.3 Ų | 40.3 | 4% | 0.043 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.3 | -33.2 | 176.7 | 59 | 0 | 0 | 0 | 0 | 112.2 | N406 Q413 S414 S418 | N406-T409 PolarHBondContact N-OG1 3.17Å; N406-T409 PolarHBondContact O-N 2.9Å; N406-T409 PolarHBondContact O-OG1 2.82Å; N406-T409 PolarHBondContact OD1-N 3.1Å; T409-Q413 PolarHBondContact O-N 3.37Å; T409-Q413 VanDerWaalsContact O-N 3.09Å; T409-S414 WeakPolarHBondContact CA-O 3.32Å; T409-S414 WeakPolarHBondContact CB-O 3.2Å; T409-S414 PolarHBondContact O-N 3.26Å; T409-S418 WeakPolarHBondContact CG2-OG 3.1Å |
| 410 | R | 84 | Confident | 86.4 | Confident | 140 Ų | 140 | 40.4 Ų | 40.4 | 53% | 0.528 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -68.8 | -46.4 | 175.1 | -74.4 | -174.4 | -66.6 | 161.8 | 0.3 | 111.7 | N406 A407 V408 A412 Q413 | N406-R410 WeakPolarHBondContact O-CB 3.32Å; N406-R410 VanDerWaalsContact O-CG 3.32Å; N406-R410 WeakPolarHBondContact O-CG 3.38Å; N406-R410 PolarHBondContact O-N 3.11Å; A407-R410 PolarHBondContact O-N 2.93Å; V408-R410 VanDerWaalsContact C-N 3.31Å; V408-R410 PolarHBondContact O-N 3.49Å; R410-A412 VanDerWaalsContact C-N 3.3Å; R410-A412 PolarHBondContact O-N 2.77Å; R410-Q413 PolarHBondContact O-N 2.62Å |
| 411 | M | 80.1 | Confident | 86.4 | Confident | 94 Ų | 94 | 39.6 Ų | 39.6 | 46% | 0.463 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.4 | -39.4 | 176.5 | -70 | 171.6 | 78.3 | 0 | 0 | 111.8 | E357 L360 A407 V408 Q413 | E357-M411 HydrophobicContact CG-CE 3.9Å; L360-M411 HydrophobicContact CD2-CE 4.31Å; A407-M411 WeakPolarHBondContact O-CB 3.44Å; A407-M411 WeakPolarHBondContact O-CG 3.28Å; A407-M411 PolarHBondContact O-N 3.16Å; V408-M411 PolarHBondContact O-N 3.47Å; M411-Q413 VanDerWaalsContact C-N 3.27Å; M411-Q413 PolarHBondContact O-N 3.26Å |
| 412 | A | 78 | Confident | 86.5 | Confident | 39 Ų | 39 | 33.4 Ų | 33.4 | 32% | 0.322 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -1.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114 | L360 V408 R410 S414 K417 | L360-A412 HydrophobicContact CD1-CB 4.39Å; V408-A412 WeakPolarHBondContact O-CB 3.4Å; V408-A412 PolarHBondContact O-N 3.24Å; R410-A412 VanDerWaalsContact C-N 3.3Å; R410-A412 PolarHBondContact O-N 2.77Å; A412-S414 PolarHBondContact O-N 3.32Å; A412-K417 HydrophobicContact CB-CB 3.8Å; A412-K417 HydrophobicContact CB-CD 4.24Å; A412-K417 HydrophobicContact CB-CG 3.84Å |
| 413 | Q | 78.6 | Confident | 86.5 | Confident | 185 Ų | 185 | 33.4 Ų | 33.4 | 86% | 0.864 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 27.2 | -173.2 | -60.5 | -176.5 | -17.9 | 0 | 0 | 114.2 | T409 R410 M411 | T409-Q413 PolarHBondContact O-N 3.37Å; T409-Q413 VanDerWaalsContact O-N 3.09Å; R410-Q413 PolarHBondContact O-N 2.62Å; M411-Q413 VanDerWaalsContact C-N 3.27Å; M411-Q413 PolarHBondContact O-N 3.26Å |
| 414 | S | 78.2 | Confident | 86.6 | Confident | 34 Ų | 34 | 36.9 Ų | 36.9 | 24% | 0.238 | 19% | 0.185 | C | C | . | . | trans | -156.4 | 127.7 | -173.4 | -176.3 | 0 | 0 | 0 | 0 | 112.4 | T409 A412 S416 K417 | T409-S414 WeakPolarHBondContact CA-O 3.32Å; T409-S414 WeakPolarHBondContact CB-O 3.2Å; T409-S414 PolarHBondContact O-N 3.26Å; A412-S414 PolarHBondContact O-N 3.32Å; S414-S416 PolarHBondContact O-N 3.34Å; S414-S416 VanDerWaalsContact OG-CB 3.32Å; S414-S416 WeakPolarHBondContact OG-CB 3.32Å; S414-S416 PolarHBondContact OG-N 3.14Å; S414-S416 PolarHBondContact OG-OG 3.42Å; S414-K417 PolarHBondContact O-N 2.81Å | ||
| 415 | S | 78.1 | Confident | 86.8 | Confident | 33 Ų | 33 | 36.8 Ų | 36.8 | 23% | 0.231 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -21.4 | 169.6 | 55.2 | 0 | 0 | 0 | 0 | 112.4 | K417 P419 D458 | S415-K417 PolarHBondContact O-N 3.39Å; S415-K417 VanDerWaalsContact O-N 3.16Å; S415-P419 VanDerWaalsContact O-CD 3.26Å; S415-P419 WeakPolarHBondContact O-CD 3.22Å; S415-D458 PolarHBondContact OG-OD2 3.38Å |
| 416 | S | 84.6 | Confident | 87.1 | Confident | 11 Ų | 11 | 32.4 Ų | 32.4 | 8% | 0.077 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -5.5 | -179.5 | -51.4 | 0 | 0 | 0 | 0 | 113.4 | S414 P419 E420 | S414-S416 PolarHBondContact O-N 3.34Å; S414-S416 VanDerWaalsContact OG-CB 3.32Å; S414-S416 WeakPolarHBondContact OG-CB 3.32Å; S414-S416 PolarHBondContact OG-N 3.14Å; S414-S416 PolarHBondContact OG-OG 3.42Å; S416-P419 WeakPolarHBondContact O-CD 3.46Å; S416-E420 WeakPolarHBondContact O-CB 3.31Å; S416-E420 PolarHBondContact O-N 2.96Å |
| 417 | K | 88.9 | Confident | 87.4 | Confident | 30 Ų | 30 | 33.8 Ų | 33.8 | 13% | 0.13 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -71.7 | -39.2 | 176.5 | -168.3 | 62.4 | 178.8 | 177.5 | 0 | 113 | L360 V408 A412 S414 S415 E420 L421 | L360-K417 HydrophobicContact CD1-CG 4.34Å; V408-K417 HydrophobicContact CG1-CG 3.77Å; A412-K417 HydrophobicContact CB-CB 3.8Å; A412-K417 HydrophobicContact CB-CD 4.24Å; A412-K417 HydrophobicContact CB-CG 3.84Å; S414-K417 PolarHBondContact O-N 2.81Å; S415-K417 PolarHBondContact O-N 3.39Å; S415-K417 VanDerWaalsContact O-N 3.16Å; K417-E420 IonicContact NZ-OE1 3.41Å; K417-E420 PolarHBondContact NZ-OE1 3.08Å; K417-E420 VanDerWaalsContact NZ-OE1 3.08Å; K417-E420 WeakPolarHBondContact O-CB 3.41Å; K417-E420 PolarHBondContact O-N 3.23Å; K417-L421 HydrophobicContact CD-CG 4.45Å; K417-L421 HydrophobicContact CG-CD1 4.17Å; K417-L421 HydrophobicContact CG-CG 4.37Å; K417-L421 WeakPolarHBondContact O-CG 3.19Å; K417-L421 PolarHBondContact O-N 3.01Å |
| 418 | S | 91.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.6 | -48.9 | 178.7 | -47.1 | 0 | 0 | 0 | 0 | 112.8 | Y366 I403 T409 E420 L421 L422 | Y366-S418 VanDerWaalsContact OH-CB 3.28Å; Y366-S418 WeakPolarHBondContact OH-CB 3.36Å; Y366-S418 PolarHBondContact OH-OG 3.21Å; I403-S418 WeakPolarHBondContact O-CB 3.34Å; I403-S418 PolarHBondContact O-OG 3.18Å; T409-S418 WeakPolarHBondContact CG2-OG 3.1Å; S418-E420 VanDerWaalsContact C-N 3.32Å; S418-E420 PolarHBondContact O-N 3.38Å; S418-L421 PolarHBondContact O-N 3.26Å; S418-L422 PolarHBondContact O-N 3.49Å |
| 419 | P | 93.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.5 | -36.7 | 173.7 | -14.3 | 22.2 | 0 | 0 | 0 | 113.3 | S415 S416 L422 A423 I456 D458 V461 F462 | S415-P419 VanDerWaalsContact O-CD 3.26Å; S415-P419 WeakPolarHBondContact O-CD 3.22Å; S416-P419 WeakPolarHBondContact O-CD 3.46Å; P419-L422 PolarHBondContact O-N 3.29Å; P419-A423 WeakPolarHBondContact O-CB 3.49Å; P419-A423 PolarHBondContact O-N 3.49Å; P419-I456 HydrophobicContact CB-CG2 4.03Å; P419-I456 HydrophobicContact CG-CD1 4.34Å; P419-I456 HydrophobicContact CG-CG2 3.72Å; P419-D458 HydrophobicContact CG-CB 3.99Å; P419-D458 WeakPolarHBondContact CG-O 3.45Å; P419-V461 HydrophobicContact CB-CB 3.98Å; P419-V461 HydrophobicContact CB-CG1 3.99Å; P419-V461 HydrophobicContact CG-CB 4.25Å; P419-V461 HydrophobicContact CG-CG1 4.39Å; P419-F462 HydrophobicContact CB-CB 4Å |
| 420 | E | 91.9 | Very high | 88.7 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.009 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.4 | -47.6 | 177.2 | -173.6 | -160.4 | 121.5 | 0 | 0 | 111.4 | S416 K417 S418 L422 A423 R424 F465 Q696 H700 | S416-E420 WeakPolarHBondContact O-CB 3.31Å; S416-E420 PolarHBondContact O-N 2.96Å; K417-E420 IonicContact NZ-OE1 3.41Å; K417-E420 PolarHBondContact NZ-OE1 3.08Å; K417-E420 VanDerWaalsContact NZ-OE1 3.08Å; K417-E420 WeakPolarHBondContact O-CB 3.41Å; K417-E420 PolarHBondContact O-N 3.23Å; S418-E420 VanDerWaalsContact C-N 3.32Å; S418-E420 PolarHBondContact O-N 3.38Å; E420-L422 VanDerWaalsContact C-N 3.34Å; E420-A423 PolarHBondContact O-N 3.04Å; E420-R424 WeakPolarHBondContact O-CG 3.26Å; E420-R424 PolarHBondContact O-N 2.92Å; E420-R424 IonicContact OE1-CZ 3.66Å; E420-R424 IonicContact OE1-NE 2.72Å; E420-R424 PolarHBondContact OE1-NE 3.49Å; E420-R424 IonicContact OE1-NH2 2.6Å; E420-R424 PolarHBondContact OE1-NH2 2.76Å; E420-R424 VanDerWaalsContact OE1-NH2 3.1Å; E420-F465 HydrophobicContact CB-CD2 4.18Å; E420-F465 HydrophobicContact CB-CE2 4.19Å; E420-F465 HydrophobicContact CG-CD1 3.99Å; E420-F465 HydrophobicContact CG-CD2 3.99Å; E420-F465 HydrophobicContact CG-CE1 3.87Å; E420-F465 HydrophobicContact CG-CE2 3.89Å; E420-F465 HydrophobicContact CG-CG 4.06Å; E420-F465 HydrophobicContact CG-CZ 3.84Å; E420-Q696 PolarHBondContact OE1-NE2 3.09Å; E420-Q696 PolarHBondContact OE2-NE2 2.98Å; E420-H700 IonicContact OE2-CE1 2.74Å; E420-H700 IonicContact OE2-NE2 3.29Å; E420-H700 PolarHBondContact OE2-NE2 3.03Å |
| 421 | L | 92.7 | Very high | 89.1 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.7 | -42.3 | 177.3 | -71.7 | 174.4 | 0 | 0 | 0 | 111 | A359 P363 Y366 V408 K417 S418 A423 R424 Y425 | A359-L421 WeakPolarHBondContact O-CD1 3.44Å; P363-L421 HydrophobicContact CB-CD2 4.48Å; P363-L421 WeakPolarHBondContact CB-O 3.44Å; P363-L421 HydrophobicContact CG-CD2 4.08Å; Y366-L421 HydrophobicContact CD1-CB 4.14Å; Y366-L421 HydrophobicContact CD1-CD1 4.16Å; Y366-L421 HydrophobicContact CD2-CD1 4.15Å; Y366-L421 HydrophobicContact CG-CD1 3.89Å; V408-L421 HydrophobicContact CG1-CD1 3.79Å; K417-L421 HydrophobicContact CD-CG 4.45Å; K417-L421 HydrophobicContact CG-CD1 4.17Å; K417-L421 HydrophobicContact CG-CG 4.37Å; K417-L421 WeakPolarHBondContact O-CG 3.19Å; K417-L421 PolarHBondContact O-N 3.01Å; S418-L421 PolarHBondContact O-N 3.26Å; L421-A423 VanDerWaalsContact C-N 3.34Å; L421-A423 PolarHBondContact O-N 3.06Å; L421-R424 PolarHBondContact O-N 3.01Å; L421-Y425 PolarHBondContact O-N 3.07Å |
| 422 | L | 95.2 | Very high | 89.4 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.6 | -44.5 | 175.4 | -169.2 | 65.7 | 0 | 0 | 0 | 111.5 | V367 S418 P419 E420 R424 Y425 C426 V449 V452 F453 I456 F462 | V367-L422 HydrophobicContact CG1-CD1 4.05Å; V367-L422 HydrophobicContact CG2-CD1 3.69Å; S418-L422 PolarHBondContact O-N 3.49Å; P419-L422 PolarHBondContact O-N 3.29Å; E420-L422 VanDerWaalsContact C-N 3.34Å; L422-R424 PolarHBondContact O-N 3.42Å; L422-Y425 PolarHBondContact O-N 3.49Å; L422-C426 PolarHBondContact O-N 3.28Å; L422-C426 PolarHBondContact O-SG 3.1Å; L422-V449 HydrophobicContact CD1-CG1 3.98Å; L422-V449 HydrophobicContact CG-CG1 4.31Å; L422-V452 HydrophobicContact CD1-CB 4.21Å; L422-V452 HydrophobicContact CD1-CG1 4.16Å; L422-V452 HydrophobicContact CD2-CG1 4.31Å; L422-F453 HydrophobicContact CD2-CB 3.98Å; L422-F453 HydrophobicContact CD2-CD2 4.23Å; L422-I456 HydrophobicContact CD2-CG1 4.1Å; L422-F462 HydrophobicContact CB-CD2 4.14Å; L422-F462 HydrophobicContact CB-CE2 4.26Å; L422-F462 HydrophobicContact CD2-CD2 4.14Å; L422-F462 HydrophobicContact CD2-CE2 4.16Å; L422-F462 HydrophobicContact CG-CD2 4.16Å; L422-F462 HydrophobicContact CG-CE2 3.93Å |
| 423 | A | 94.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.3 | -40.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | P419 E420 L421 C426 D427 F462 F465 | P419-A423 WeakPolarHBondContact O-CB 3.49Å; P419-A423 PolarHBondContact O-N 3.49Å; E420-A423 PolarHBondContact O-N 3.04Å; L421-A423 VanDerWaalsContact C-N 3.34Å; L421-A423 PolarHBondContact O-N 3.06Å; A423-C426 PolarHBondContact O-N 3.15Å; A423-D427 PolarHBondContact O-N 2.87Å; A423-F462 HydrophobicContact CB-CD2 3.73Å; A423-F462 HydrophobicContact CB-CE2 3.9Å; A423-F462 HydrophobicContact CB-CG 4.39Å; A423-F465 HydrophobicContact CB-CB 3.78Å |
| 424 | R | 93 | Very high | 89.7 | Confident | 76 Ų | 76 | 35.3 Ų | 35.3 | 29% | 0.287 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.5 | -38.6 | 174.7 | -74.6 | 177 | -173.8 | -89.5 | 5.4 | 112.3 | P363 E420 L421 L422 D427 S428 M469 | P363-R424 HydrophobicContact CB-CB 4.11Å; P363-R424 HydrophobicContact CG-CB 3.61Å; E420-R424 WeakPolarHBondContact O-CG 3.26Å; E420-R424 PolarHBondContact O-N 2.92Å; E420-R424 IonicContact OE1-CZ 3.66Å; E420-R424 IonicContact OE1-NE 2.72Å; E420-R424 PolarHBondContact OE1-NE 3.49Å; E420-R424 IonicContact OE1-NH2 2.6Å; E420-R424 PolarHBondContact OE1-NH2 2.76Å; E420-R424 VanDerWaalsContact OE1-NH2 3.1Å; L421-R424 PolarHBondContact O-N 3.01Å; L422-R424 PolarHBondContact O-N 3.42Å; R424-D427 PolarHBondContact O-N 3.26Å; R424-S428 PolarHBondContact O-N 3.2Å; R424-M469 HydrophobicContact CB-CE 4.38Å; R424-M469 HydrophobicContact CG-CE 3.45Å; R424-M469 VanDerWaalsContact CG-CE 3.45Å; R424-M469 HydrophobicContact CG-SD 4.33Å |
| 425 | Y | 94.7 | Very high | 89.9 | Confident | 12 Ų | 12 | 42.4 Ų | 42.4 | 5% | 0.047 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.6 | -47 | 175.5 | -176.1 | -122 | 0 | 0 | 0 | 110.7 | K364 V367 L421 L422 D427 S428 L429 T445 V449 | K364-Y425 HydrophobicContact CB-CD2 3.92Å; K364-Y425 HydrophobicContact CB-CE2 3.7Å; K364-Y425 HydrophobicContact CD-CE2 4.39Å; K364-Y425 HydrophobicContact CG-CD2 4.42Å; K364-Y425 HydrophobicContact CG-CE2 3.69Å; V367-Y425 HydrophobicContact CB-CD1 3.8Å; V367-Y425 HydrophobicContact CB-CE1 4.13Å; V367-Y425 HydrophobicContact CB-CG 4.19Å; V367-Y425 HydrophobicContact CG1-CD1 3.64Å; V367-Y425 HydrophobicContact CG1-CE1 3.74Å; V367-Y425 HydrophobicContact CG2-CD1 3.88Å; V367-Y425 HydrophobicContact CG2-CG 4.03Å; L421-Y425 PolarHBondContact O-N 3.07Å; L422-Y425 PolarHBondContact O-N 3.49Å; Y425-D427 VanDerWaalsContact C-N 3.32Å; Y425-D427 PolarHBondContact O-N 3.23Å; Y425-S428 PolarHBondContact O-N 2.86Å; Y425-S428 VanDerWaalsContact O-N 3.09Å; Y425-S428 PolarHBondContact O-OG 3.25Å; Y425-L429 HydrophobicContact CD1-CD1 4.1Å; Y425-L429 HydrophobicContact CE1-CD1 3.74Å; Y425-L429 HydrophobicContact CE1-CG 4.46Å; Y425-L429 HydrophobicContact CE2-CD1 4.48Å; Y425-L429 HydrophobicContact CE2-CD2 4.29Å; Y425-L429 HydrophobicContact CE2-CG 4.35Å; Y425-L429 WeakPolarHBondContact O-CG 3.2Å; Y425-L429 PolarHBondContact O-N 3.13Å; Y425-L429 VanDerWaalsContact O-N 3.13Å; Y425-T445 HydrophobicContact CE1-CG2 4.46Å; Y425-V449 HydrophobicContact CD1-CG2 3.8Å; Y425-V449 HydrophobicContact CE1-CG2 3.83Å |
| 426 | C | 94.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.6 | -43.8 | 173.5 | -59.4 | 0 | 0 | 0 | 0 | 112.7 | L422 A423 S428 L429 L430 V449 Y466 | L422-C426 PolarHBondContact O-N 3.28Å; L422-C426 PolarHBondContact O-SG 3.1Å; A423-C426 PolarHBondContact O-N 3.15Å; C426-S428 VanDerWaalsContact C-N 3.31Å; C426-S428 PolarHBondContact O-N 3.36Å; C426-L429 PolarHBondContact O-N 2.67Å; C426-L430 WeakPolarHBondContact O-CB 3.27Å; C426-L430 WeakPolarHBondContact O-CG 3.42Å; C426-L430 PolarHBondContact O-N 3.02Å; C426-V449 WeakPolarHBondContact SG-CG1 3.37Å; C426-Y466 HydrophobicContact CB-CD2 4.22Å; C426-Y466 HydrophobicContact CB-CE2 4.03Å |
| 427 | D | 93.3 | Very high | 90 | Very high | 30 Ų | 30 | 45 Ų | 45 | 16% | 0.16 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.3 | -42.6 | 175.9 | 178.8 | 70.5 | 0 | 0 | 0 | 111.7 | A423 R424 Y425 L429 L430 K431 M469 R473 | A423-D427 PolarHBondContact O-N 2.87Å; R424-D427 PolarHBondContact O-N 3.26Å; Y425-D427 VanDerWaalsContact C-N 3.32Å; Y425-D427 PolarHBondContact O-N 3.23Å; D427-L429 VanDerWaalsContact C-N 3.28Å; D427-L429 PolarHBondContact O-N 3.44Å; D427-L430 PolarHBondContact O-N 3.42Å; D427-K431 VanDerWaalsContact O-CB 3.23Å; D427-K431 WeakPolarHBondContact O-CB 3.47Å; D427-K431 PolarHBondContact O-N 2.93Å; D427-M469 HydrophobicContact CB-CB 4.05Å; D427-M469 HydrophobicContact CB-CG 4.17Å; D427-M469 HydrophobicContact CB-SD 3.58Å; D427-M469 VanDerWaalsContact CB-SD 3.58Å; D427-M469 WeakPolarHBondContact OD1-CB 3.31Å; D427-R473 WeakPolarHBondContact OD1-CD 3.09Å; D427-R473 IonicContact OD1-CZ 3.17Å; D427-R473 IonicContact OD1-NE 3.43Å; D427-R473 IonicContact OD1-NH1 3.6Å; D427-R473 PolarHBondContact OD1-NH1 2.92Å |
| 428 | S | 92.4 | Very high | 90 | Very high | 63 Ų | 63 | 50.6 Ų | 50.6 | 44% | 0.441 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.7 | -32.7 | 178.7 | 76.5 | 0 | 0 | 0 | 0 | 113.4 | R424 Y425 C426 | R424-S428 PolarHBondContact O-N 3.2Å; Y425-S428 PolarHBondContact O-N 2.86Å; Y425-S428 VanDerWaalsContact O-N 3.09Å; Y425-S428 PolarHBondContact O-OG 3.25Å; C426-S428 VanDerWaalsContact C-N 3.31Å; C426-S428 PolarHBondContact O-N 3.36Å |
| 429 | L | 91.9 | Very high | 89.8 | Confident | 21 Ų | 21 | 57.5 Ų | 57.5 | 11% | 0.11 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -75.5 | -40.3 | 177.1 | -65.4 | 174.1 | 0 | 0 | 0 | 112.2 | Y425 C426 D427 L442 T445 L446 V449 | Y425-L429 HydrophobicContact CD1-CD1 4.1Å; Y425-L429 HydrophobicContact CE1-CD1 3.74Å; Y425-L429 HydrophobicContact CE1-CG 4.46Å; Y425-L429 HydrophobicContact CE2-CD1 4.48Å; Y425-L429 HydrophobicContact CE2-CD2 4.29Å; Y425-L429 HydrophobicContact CE2-CG 4.35Å; Y425-L429 WeakPolarHBondContact O-CG 3.2Å; Y425-L429 PolarHBondContact O-N 3.13Å; Y425-L429 VanDerWaalsContact O-N 3.13Å; C426-L429 PolarHBondContact O-N 2.67Å; D427-L429 VanDerWaalsContact C-N 3.28Å; D427-L429 PolarHBondContact O-N 3.44Å; L429-L442 HydrophobicContact CB-CD1 4.05Å; L429-T445 HydrophobicContact CD1-CG2 3.63Å; L429-T445 HydrophobicContact CD2-CG2 4.14Å; L429-L446 HydrophobicContact CD1-CD2 4.48Å; L429-V449 HydrophobicContact CD1-CG2 4.3Å |
| 430 | L | 93.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -88.4 | -4.1 | -175 | -67.2 | 169.2 | 0 | 0 | 0 | 113.3 | C426 D427 L446 Y466 S479 A480 A484 M488 | C426-L430 WeakPolarHBondContact O-CB 3.27Å; C426-L430 WeakPolarHBondContact O-CG 3.42Å; C426-L430 PolarHBondContact O-N 3.02Å; D427-L430 PolarHBondContact O-N 3.42Å; L430-L446 HydrophobicContact CD2-CD1 4.23Å; L430-L446 HydrophobicContact CD2-CD2 4.4Å; L430-L446 HydrophobicContact CG-CD2 4.45Å; L430-Y466 HydrophobicContact CD1-CE2 4.22Å; L430-Y466 WeakPolarHBondContact CD1-OH 3.45Å; L430-S479 CarbonylContact O-C 3.52Å; L430-S479 WeakPolarHBondContact O-CA 3.23Å; L430-A480 WeakPolarHBondContact O-CB 3.49Å; L430-A480 PolarHBondContact O-N 3.09Å; L430-A484 HydrophobicContact CD2-CB 3.9Å; L430-M488 HydrophobicContact CD1-CB 4.32Å; L430-M488 HydrophobicContact CD1-CG 4.27Å |
| 431 | K | 91.9 | Very high | 89.6 | Confident | 95 Ų | 95 | 66 Ų | 66 | 41% | 0.413 | 35% | 0.345 | S | S | . | . | B | Isolated β-bridge | trans | -81.9 | 140.2 | 175.4 | -167.9 | 173.6 | -177.5 | 176.4 | 0 | 110.4 | D427 S433 N436 N478 | D427-K431 VanDerWaalsContact O-CB 3.23Å; D427-K431 WeakPolarHBondContact O-CB 3.47Å; D427-K431 PolarHBondContact O-N 2.93Å; K431-S433 PolarHBondContact O-N 3Å; K431-N436 PolarHBondContact O-ND2 3.17Å; K431-N436 PolarHBondContact O-OD1 3.01Å; K431-N478 WeakPolarHBondContact CA-O 3.49Å; K431-N478 WeakPolarHBondContact CE-ND2 3.44Å; K431-N478 WeakPolarHBondContact CG-ND2 3.31Å |
| 432 | K | 88.3 | Confident | 89.6 | Confident | 143 Ų | 143 | 66.4 Ų | 66.4 | 62% | 0.622 | 35% | 0.347 | S | S | * | . | trans | -61.2 | 121 | 175.4 | -169.3 | 174.9 | -175.8 | 170.4 | 0 | 110.2 | N478 | K432-N478 PolarHBondContact N-O 3.37Š| ||
| 433 | S | 85.3 | Confident | 89.4 | Confident | 61 Ų | 61 | 69 Ų | 69 | 43% | 0.427 | 36% | 0.359 | S | S | . | . | trans | -148 | 152.6 | 174.4 | 158.5 | 0 | 0 | 0 | 0 | 110 | K431 K435 N436 | K431-S433 PolarHBondContact O-N 3Å; S433-K435 PolarHBondContact O-N 3.36Å; S433-K435 PolarHBondContact OG-N 2.97Å; S433-N436 WeakPolarHBondContact CA-OD1 3.29Å; S433-N436 WeakPolarHBondContact CB-OD1 3.15Å; S433-N436 PolarHBondContact N-ND2 3.34Å; S433-N436 PolarHBondContact N-OD1 2.99Å; S433-N436 VanDerWaalsContact O-CG 3.24Å; S433-N436 PolarHBondContact O-N 3.01Å; S433-N436 PolarHBondContact O-OD1 3.36Å | ||
| 434 | S | 76.5 | Confident | 89.4 | Confident | 127 Ų | 127 | 73.6 Ų | 73.6 | 89% | 0.888 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -7.6 | 176.9 | 62.1 | 0 | 0 | 0 | 0 | 113.2 | ||
| 435 | K | 82.6 | Confident | 89.3 | Confident | 184 Ų | 184 | 71.5 Ų | 71.5 | 80% | 0.8 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.1 | 15.1 | 178 | -60.1 | -174.2 | 178.1 | -176 | 0 | 112.5 | S433 | S433-K435 PolarHBondContact O-N 3.36Å; S433-K435 PolarHBondContact OG-N 2.97Å |
| 436 | N | 82.3 | Confident | 89.3 | Confident | 50 Ų | 50 | 70.9 Ų | 70.9 | 27% | 0.267 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 133 | 179.5 | -73.5 | 12.5 | 0 | 0 | 0 | 109.3 | K431 S433 A480 | K431-N436 PolarHBondContact O-ND2 3.17Å; K431-N436 PolarHBondContact O-OD1 3.01Å; S433-N436 WeakPolarHBondContact CA-OD1 3.29Å; S433-N436 WeakPolarHBondContact CB-OD1 3.15Å; S433-N436 PolarHBondContact N-ND2 3.34Å; S433-N436 PolarHBondContact N-OD1 2.99Å; S433-N436 VanDerWaalsContact O-CG 3.24Å; S433-N436 PolarHBondContact O-N 3.01Å; S433-N436 PolarHBondContact O-OD1 3.36Å; N436-A480 WeakPolarHBondContact ND2-CB 3.29Å |
| 437 | P | 81.9 | Confident | 89.3 | Confident | 49 Ų | 49 | 73.9 Ų | 73.9 | 32% | 0.318 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -66 | 167.6 | 176.8 | 28.3 | -32.7 | 0 | 0 | 0 | 110.8 | E441 L442 | P437-E441 HydrophobicContact CB-CB 4.01Å; P437-L442 HydrophobicContact CG-CB 4.12Å; P437-L442 HydrophobicContact CG-CD1 4.24Å |
| 438 | E | 88.6 | Confident | 89.3 | Confident | 147 Ų | 147 | 75.1 Ų | 75.1 | 69% | 0.687 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 155.8 | 173.6 | -65.6 | -172.8 | 174.1 | 0 | 0 | 111 | A440 E441 L442 | E438-A440 VanDerWaalsContact C-N 3.26Å; E438-A440 PolarHBondContact O-N 3.39Å; E438-E441 PolarHBondContact O-N 2.91Å; E438-E441 VanDerWaalsContact O-N 3.14Å; E438-L442 WeakPolarHBondContact O-CB 3.36Å; E438-L442 PolarHBondContact O-N 3.26Å |
| 439 | E | 87.6 | Confident | 89.4 | Confident | 145 Ų | 145 | 72.1 Ų | 72.1 | 68% | 0.678 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -57 | -38.2 | -173.6 | -69.3 | -172.4 | 157.2 | 0 | 0 | 113 | L442 E443 | E439-L442 PolarHBondContact O-N 3.42Å; E439-E443 WeakPolarHBondContact O-CB 3.29Å; E439-E443 PolarHBondContact O-N 3.38Å |
| 440 | A | 90.8 | Very high | 89.5 | Confident | 68 Ų | 68 | 72.4 Ų | 72.4 | 56% | 0.562 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -66.2 | -46.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E438 L442 E443 D444 | E438-A440 VanDerWaalsContact C-N 3.26Å; E438-A440 PolarHBondContact O-N 3.39Å; A440-L442 VanDerWaalsContact C-N 3.32Å; A440-L442 PolarHBondContact O-N 3.03Å; A440-E443 PolarHBondContact O-N 3.07Å; A440-D444 PolarHBondContact O-N 3.2Å |
| 441 | E | 91.3 | Very high | 89.6 | Confident | 113 Ų | 113 | 74.8 Ų | 74.8 | 53% | 0.528 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.4 | -36.5 | 177.5 | -67.3 | -174.2 | 164.3 | 0 | 0 | 112 | P437 E438 D444 T445 | P437-E441 HydrophobicContact CB-CB 4.01Å; E438-E441 PolarHBondContact O-N 2.91Å; E438-E441 VanDerWaalsContact O-N 3.14Å; E441-D444 PolarHBondContact O-N 3.19Å; E441-T445 WeakPolarHBondContact O-CB 3.33Å; E441-T445 PolarHBondContact O-N 2.86Å; E441-T445 PolarHBondContact O-OG1 3.44Å |
| 442 | L | 90.9 | Very high | 89.7 | Confident | 10 Ų | 10 | 70.4 Ų | 70.4 | 5% | 0.052 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.6 | -48.2 | 174.5 | -178.1 | 59.2 | 0 | 0 | 0 | 110.6 | L429 P437 E438 E439 A440 D444 T445 L446 A484 | L429-L442 HydrophobicContact CB-CD1 4.05Å; P437-L442 HydrophobicContact CG-CB 4.12Å; P437-L442 HydrophobicContact CG-CD1 4.24Å; E438-L442 WeakPolarHBondContact O-CB 3.36Å; E438-L442 PolarHBondContact O-N 3.26Å; E439-L442 PolarHBondContact O-N 3.42Å; A440-L442 VanDerWaalsContact C-N 3.32Å; A440-L442 PolarHBondContact O-N 3.03Å; L442-D444 PolarHBondContact O-N 2.77Å; L442-T445 WeakPolarHBondContact O-CB 3.49Å; L442-T445 PolarHBondContact O-N 2.77Å; L442-T445 VanDerWaalsContact O-N 3.15Å; L442-L446 HydrophobicContact CG-CD1 4.47Å; L442-L446 WeakPolarHBondContact O-CG 3.42Å; L442-L446 PolarHBondContact O-N 3.44Å; L442-A484 HydrophobicContact CD2-CB 3.93Å |
| 443 | E | 92.6 | Very high | 90 | Very high | 55 Ų | 55 | 63.7 Ų | 63.7 | 26% | 0.257 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 178.9 | -176.8 | 63.8 | -164.1 | 0 | 0 | 111.8 | E439 A440 T445 L446 N447 S487 K491 | E439-E443 WeakPolarHBondContact O-CB 3.29Å; E439-E443 PolarHBondContact O-N 3.38Å; A440-E443 PolarHBondContact O-N 3.07Å; E443-T445 VanDerWaalsContact C-N 3.31Å; E443-T445 PolarHBondContact O-N 3.32Å; E443-L446 PolarHBondContact O-N 2.99Å; E443-N447 PolarHBondContact O-N 3.48Å; E443-N447 PolarHBondContact O-ND2 3.31Å; E443-N447 VanDerWaalsContact O-ND2 3.16Å; E443-S487 PolarHBondContact OE1-OG 3.48Å; E443-S487 VanDerWaalsContact OE1-OG 3.11Å; E443-S487 PolarHBondContact OE2-OG 3.47Å; E443-K491 WeakPolarHBondContact OE1-CE 3.29Å; E443-K491 IonicContact OE1-NZ 3.84Å; E443-K491 PolarHBondContact OE1-NZ 3.22Å |
| 444 | D | 93.1 | Very high | 90.4 | Very high | 96 Ų | 96 | 66.2 Ų | 66.2 | 51% | 0.513 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.9 | -39.6 | 173.5 | -80.1 | -16.3 | 0 | 0 | 0 | 112.3 | A440 E441 L442 N447 Q448 | A440-D444 PolarHBondContact O-N 3.2Å; E441-D444 PolarHBondContact O-N 3.19Å; L442-D444 PolarHBondContact O-N 2.77Å; D444-N447 PolarHBondContact O-N 2.86Å; D444-Q448 WeakPolarHBondContact O-CG 3.47Å; D444-Q448 PolarHBondContact O-N 3.21Å |
| 445 | T | 92 | Very high | 91.2 | Very high | 32 Ų | 32 | 61.2 Ų | 61.2 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.2 | -39.6 | 175.8 | -54.2 | 0 | 0 | 0 | 0 | 111.2 | Y425 L429 E441 L442 E443 N447 Q448 V449 | Y425-T445 HydrophobicContact CE1-CG2 4.46Å; L429-T445 HydrophobicContact CD1-CG2 3.63Å; L429-T445 HydrophobicContact CD2-CG2 4.14Å; E441-T445 WeakPolarHBondContact O-CB 3.33Å; E441-T445 PolarHBondContact O-N 2.86Å; E441-T445 PolarHBondContact O-OG1 3.44Å; L442-T445 WeakPolarHBondContact O-CB 3.49Å; L442-T445 PolarHBondContact O-N 2.77Å; L442-T445 VanDerWaalsContact O-N 3.15Å; E443-T445 VanDerWaalsContact C-N 3.31Å; E443-T445 PolarHBondContact O-N 3.32Å; T445-N447 VanDerWaalsContact C-N 3.35Å; T445-Q448 WeakPolarHBondContact O-CB 3.44Å; T445-Q448 PolarHBondContact O-N 3.07Å; T445-V449 WeakPolarHBondContact O-CG2 3.3Å; T445-V449 PolarHBondContact O-N 2.94Å |
| 446 | L | 93.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.9 | -37.6 | 174.4 | -67 | 176.1 | 0 | 0 | 0 | 111.8 | L429 L430 L442 E443 Q448 V449 M450 M488 | L429-L446 HydrophobicContact CD1-CD2 4.48Å; L430-L446 HydrophobicContact CD2-CD1 4.23Å; L430-L446 HydrophobicContact CD2-CD2 4.4Å; L430-L446 HydrophobicContact CG-CD2 4.45Å; L442-L446 HydrophobicContact CG-CD1 4.47Å; L442-L446 WeakPolarHBondContact O-CG 3.42Å; L442-L446 PolarHBondContact O-N 3.44Å; E443-L446 PolarHBondContact O-N 2.99Å; L446-Q448 VanDerWaalsContact C-N 3.33Å; L446-Q448 PolarHBondContact O-N 3.37Å; L446-V449 WeakPolarHBondContact O-CB 3.49Å; L446-V449 PolarHBondContact O-N 3.3Å; L446-M450 WeakPolarHBondContact O-CG 3.4Å; L446-M450 PolarHBondContact O-N 3.37Å; L446-M450 VanDerWaalsContact O-N 3.1Å; L446-M488 HydrophobicContact CB-SD 4.49Å; L446-M488 HydrophobicContact CD2-SD 4.03Å |
| 447 | N | 94.8 | Very high | 92 | Very high | 63 Ų | 63 | 53.9 Ų | 53.9 | 34% | 0.337 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 172.9 | -71.3 | -39.7 | 0 | 0 | 0 | 111.5 | E443 D444 T445 M450 V451 K491 | E443-N447 PolarHBondContact O-N 3.48Å; E443-N447 PolarHBondContact O-ND2 3.31Å; E443-N447 VanDerWaalsContact O-ND2 3.16Å; D444-N447 PolarHBondContact O-N 2.86Å; T445-N447 VanDerWaalsContact C-N 3.35Å; N447-M450 WeakPolarHBondContact O-CB 3.28Å; N447-M450 PolarHBondContact O-N 2.97Å; N447-M450 VanDerWaalsContact O-N 3.17Å; N447-V451 PolarHBondContact O-N 3.25Å; N447-K491 WeakPolarHBondContact OD1-CE 3.41Å; N447-K491 PolarHBondContact OD1-NZ 3.44Å |
| 448 | Q | 93.8 | Very high | 92.4 | Very high | 55 Ų | 55 | 51.9 Ų | 51.9 | 26% | 0.257 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 175.6 | -68.5 | 175 | 40.9 | 0 | 0 | 112 | L371 D444 T445 L446 M450 V451 V452 | L371-Q448 HydrophobicContact CD1-CB 3.87Å; L371-Q448 HydrophobicContact CD2-CB 3.98Å; L371-Q448 WeakPolarHBondContact CD2-O 3.32Å; D444-Q448 WeakPolarHBondContact O-CG 3.47Å; D444-Q448 PolarHBondContact O-N 3.21Å; T445-Q448 WeakPolarHBondContact O-CB 3.44Å; T445-Q448 PolarHBondContact O-N 3.07Å; L446-Q448 VanDerWaalsContact C-N 3.33Å; L446-Q448 PolarHBondContact O-N 3.37Å; Q448-M450 PolarHBondContact O-N 3.03Å; Q448-V451 VanDerWaalsContact O-CB 3.29Å; Q448-V451 WeakPolarHBondContact O-CB 3.5Å; Q448-V451 PolarHBondContact O-N 3Å; Q448-V452 PolarHBondContact O-N 2.82Å |
| 449 | V | 94.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -54.1 | -41.5 | 172.3 | 163.4 | 0 | 0 | 0 | 0 | 111.3 | L422 Y425 C426 L429 T445 L446 V451 V452 F453 M488 | L422-V449 HydrophobicContact CD1-CG1 3.98Å; L422-V449 HydrophobicContact CG-CG1 4.31Å; Y425-V449 HydrophobicContact CD1-CG2 3.8Å; Y425-V449 HydrophobicContact CE1-CG2 3.83Å; C426-V449 WeakPolarHBondContact SG-CG1 3.37Å; L429-V449 HydrophobicContact CD1-CG2 4.3Å; T445-V449 WeakPolarHBondContact O-CG2 3.3Å; T445-V449 PolarHBondContact O-N 2.94Å; L446-V449 WeakPolarHBondContact O-CB 3.49Å; L446-V449 PolarHBondContact O-N 3.3Å; V449-V451 VanDerWaalsContact C-N 3.28Å; V449-V451 PolarHBondContact O-N 3.41Å; V449-V452 PolarHBondContact O-N 2.86Å; V449-F453 PolarHBondContact O-N 3.45Å; V449-M488 HydrophobicContact CG1-CE 4.16Å |
| 450 | M | 95.1 | Very high | 92.7 | Very high | 27 Ų | 27 | 40.5 Ų | 40.5 | 13% | 0.133 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.7 | -27.6 | 178.9 | -68.4 | -56.2 | -58.5 | 0 | 0 | 113.3 | L446 N447 Q448 F453 K454 M488 K491 L492 A495 | L446-M450 WeakPolarHBondContact O-CG 3.4Å; L446-M450 PolarHBondContact O-N 3.37Å; L446-M450 VanDerWaalsContact O-N 3.1Å; N447-M450 WeakPolarHBondContact O-CB 3.28Å; N447-M450 PolarHBondContact O-N 2.97Å; N447-M450 VanDerWaalsContact O-N 3.17Å; Q448-M450 PolarHBondContact O-N 3.03Å; M450-F453 HydrophobicContact CE-CB 4.36Å; M450-F453 HydrophobicContact CE-CD1 3.5Å; M450-F453 VanDerWaalsContact CE-CD1 3.5Å; M450-F453 HydrophobicContact CE-CE1 4.07Å; M450-F453 HydrophobicContact CE-CG 4.14Å; M450-F453 PolarHBondContact O-N 3.46Å; M450-F453 HydrophobicContact SD-CB 4.3Å; M450-F453 HydrophobicContact SD-CD1 4.3Å; M450-F453 HydrophobicContact SD-CG 4.38Å; M450-K454 PolarHBondContact O-N 2.97Å; M450-M488 HydrophobicContact SD-CE 3.71Å; M450-M488 HydrophobicContact SD-SD 4.28Å; M450-K491 HydrophobicContact CE-CB 4.27Å; M450-K491 HydrophobicContact CG-CB 4.01Å; M450-K491 HydrophobicContact CG-CD 3.98Å; M450-K491 HydrophobicContact SD-CB 4.15Å; M450-L492 HydrophobicContact CE-CD2 4.22Å; M450-L492 HydrophobicContact SD-CD2 4.08Å; M450-A495 HydrophobicContact CE-CB 3.85Å |
| 451 | V | 94.1 | Very high | 92.8 | Very high | 50 Ų | 50 | 37.3 Ų | 37.3 | 30% | 0.303 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62 | -47 | 171 | 177.6 | 0 | 0 | 0 | 0 | 110.4 | N447 Q448 V449 K454 Y455 | N447-V451 PolarHBondContact O-N 3.25Å; Q448-V451 VanDerWaalsContact O-CB 3.29Å; Q448-V451 WeakPolarHBondContact O-CB 3.5Å; Q448-V451 PolarHBondContact O-N 3Å; V449-V451 VanDerWaalsContact C-N 3.28Å; V449-V451 PolarHBondContact O-N 3.41Å; V451-K454 WeakPolarHBondContact O-CB 3.38Å; V451-K454 PolarHBondContact O-N 3.39Å; V451-Y455 HydrophobicContact CG1-CE2 4.2Å; V451-Y455 WeakPolarHBondContact O-CD2 3.49Å; V451-Y455 VanDerWaalsContact O-CE2 3.29Å; V451-Y455 WeakPolarHBondContact O-CE2 3.45Å |
| 452 | V | 94.8 | Very high | 93 | Very high | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.024 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.6 | -41 | 176 | -178.3 | 0 | 0 | 0 | 0 | 111 | V367 T370 L371 I403 L422 Q448 V449 K454 Y455 | V367-V452 HydrophobicContact CG1-CG2 4.49Å; T370-V452 HydrophobicContact CG2-CG1 4.04Å; T370-V452 HydrophobicContact CG2-CG2 4.05Å; L371-V452 HydrophobicContact CD2-CG2 3.56Å; L371-V452 HydrophobicContact CG-CG2 3.73Å; I403-V452 HydrophobicContact CD1-CG1 4.4Å; I403-V452 HydrophobicContact CG2-CG1 4.49Å; L422-V452 HydrophobicContact CD1-CB 4.21Å; L422-V452 HydrophobicContact CD1-CG1 4.16Å; L422-V452 HydrophobicContact CD2-CG1 4.31Å; Q448-V452 PolarHBondContact O-N 2.82Å; V449-V452 PolarHBondContact O-N 2.86Å; V452-K454 PolarHBondContact O-N 3.02Å; V452-Y455 PolarHBondContact O-N 2.99Å |
| 453 | F | 94.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 33 Ų | 33 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58 | -34.8 | 178.8 | -178.5 | -98.9 | 0 | 0 | 0 | 113 | L422 V449 M450 Y455 I456 K459 F462 L492 A495 C496 | L422-F453 HydrophobicContact CD2-CB 3.98Å; L422-F453 HydrophobicContact CD2-CD2 4.23Å; V449-F453 PolarHBondContact O-N 3.45Å; M450-F453 HydrophobicContact CE-CB 4.36Å; M450-F453 HydrophobicContact CE-CD1 3.5Å; M450-F453 VanDerWaalsContact CE-CD1 3.5Å; M450-F453 HydrophobicContact CE-CE1 4.07Å; M450-F453 HydrophobicContact CE-CG 4.14Å; M450-F453 PolarHBondContact O-N 3.46Å; M450-F453 HydrophobicContact SD-CB 4.3Å; M450-F453 HydrophobicContact SD-CD1 4.3Å; M450-F453 HydrophobicContact SD-CG 4.38Å; F453-Y455 PolarHBondContact O-N 2.87Å; F453-I456 WeakPolarHBondContact O-CB 3.22Å; F453-I456 PolarHBondContact O-N 2.88Å; F453-I456 VanDerWaalsContact O-N 3.13Å; F453-K459 HydrophobicContact CE1-CD 4.14Å; F453-K459 HydrophobicContact CE2-CB 4.4Å; F453-K459 HydrophobicContact CE2-CG 4.25Å; F453-K459 HydrophobicContact CZ-CB 4.21Å; F453-K459 HydrophobicContact CZ-CD 3.95Å; F453-K459 HydrophobicContact CZ-CG 4.03Å; F453-F462 HydrophobicContact CD2-CD1 4.07Å; F453-F462 HydrophobicContact CD2-CD2 4.28Å; F453-F462 HydrophobicContact CD2-CE1 4.32Å; F453-F462 HydrophobicContact CD2-CE2 4.49Å; F453-F462 HydrophobicContact CD2-CG 4.06Å; F453-F462 HydrophobicContact CE2-CB 4.13Å; F453-F462 AromaticContact CE2-CD1 3.53Å; F453-F462 HydrophobicContact CE2-CD1 3.53Å; F453-F462 HydrophobicContact CE2-CD2 4.44Å; F453-F462 HydrophobicContact CE2-CE1 4.03Å; F453-F462 AromaticContact CE2-CG 3.78Å; F453-F462 HydrophobicContact CE2-CG 3.78Å; F453-F462 HydrophobicContact CZ-CD1 4.47Å; F453-L492 HydrophobicContact CE1-CD2 4.09Å; F453-L492 HydrophobicContact CE2-CD2 4.1Å; F453-L492 HydrophobicContact CZ-CD2 3.86Å; F453-A495 HydrophobicContact CD1-CB 4.35Å; F453-A495 HydrophobicContact CE1-CB 4Å; F453-C496 VanDerWaalsContact CE1-SG 3.55Å; F453-C496 VanDerWaalsContact CZ-SG 3.58Å |
| 454 | K | 93.3 | Very high | 93 | Very high | 114 Ų | 114 | 32.7 Ų | 32.7 | 50% | 0.496 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -51.8 | -39.9 | 175.2 | -178.2 | -169.5 | 169.4 | -163.2 | 0 | 111.7 | D396 M450 V451 V452 | D396-K454 IonicContact OD1-NZ 3.39Å; D396-K454 PolarHBondContact OD1-NZ 3.43Å; D396-K454 IonicContact OD2-NZ 2.7Å; D396-K454 PolarHBondContact OD2-NZ 2.96Å; M450-K454 PolarHBondContact O-N 2.97Å; V451-K454 WeakPolarHBondContact O-CB 3.38Å; V451-K454 PolarHBondContact O-N 3.39Å; V452-K454 PolarHBondContact O-N 3.02Å |
| 455 | Y | 93.3 | Very high | 93 | Very high | 22 Ų | 22 | 28.2 Ų | 28.2 | 9% | 0.086 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -6.8 | -174.9 | -58.4 | -63.9 | 0 | 0 | 0 | 114.3 | H374 D396 C399 I403 N404 V451 V452 F453 E457 | H374-Y455 AromaticContact CD2-CE2 3.69Å; H374-Y455 AromaticContact NE2-CE2 3.97Å; H374-Y455 PolarHBondContact NE2-OH 3.19Å; D396-Y455 HydrophobicContact CB-CE1 4.05Å; D396-Y455 WeakPolarHBondContact OD1-CE1 3.47Å; D396-Y455 VanDerWaalsContact OD1-CZ 3.27Å; D396-Y455 PolarHBondContact OD1-OH 3.3Å; C399-Y455 HydrophobicContact CB-CD1 3.76Å; C399-Y455 HydrophobicContact CB-CD2 3.96Å; C399-Y455 HydrophobicContact CB-CE1 3.81Å; C399-Y455 HydrophobicContact CB-CE2 3.99Å; C399-Y455 HydrophobicContact CB-CG 3.86Å; I403-Y455 HydrophobicContact CD1-CD2 3.79Å; I403-Y455 HydrophobicContact CD1-CG 3.95Å; N404-Y455 PolarHBondContact ND2-O 3.4Å; V451-Y455 HydrophobicContact CG1-CE2 4.2Å; V451-Y455 WeakPolarHBondContact O-CD2 3.49Å; V451-Y455 VanDerWaalsContact O-CE2 3.29Å; V451-Y455 WeakPolarHBondContact O-CE2 3.45Å; V452-Y455 PolarHBondContact O-N 2.99Å; F453-Y455 PolarHBondContact O-N 2.87Å; Y455-E457 PolarHBondContact O-N 3.24Å |
| 456 | I | 92.1 | Very high | 93.1 | Very high | 4 Ų | 4 | 26.7 Ų | 26.7 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | trans | -72.8 | 126.7 | 179 | -65.5 | -67.7 | 0 | 0 | 0 | 110.4 | I403 P419 L422 F453 K459 | I403-I456 HydrophobicContact CG2-CD1 3.69Å; P419-I456 HydrophobicContact CB-CG2 4.03Å; P419-I456 HydrophobicContact CG-CD1 4.34Å; P419-I456 HydrophobicContact CG-CG2 3.72Å; L422-I456 HydrophobicContact CD2-CG1 4.1Å; F453-I456 WeakPolarHBondContact O-CB 3.22Å; F453-I456 PolarHBondContact O-N 2.88Å; F453-I456 VanDerWaalsContact O-N 3.13Å; I456-K459 HydrophobicContact CB-CG 4.46Å; I456-K459 HydrophobicContact CG2-CG 4.17Å; I456-K459 VanDerWaalsContact O-CE 3.29Å; I456-K459 WeakPolarHBondContact O-CE 3.31Å; I456-K459 WeakPolarHBondContact O-CG 3.47Å | ||
| 457 | E | 89.1 | Confident | 93.1 | Very high | 77 Ų | 77 | 27.4 Ų | 27.4 | 36% | 0.36 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -76.8 | -49.6 | 172.6 | -74.1 | -171.9 | 159.4 | 0 | 0 | 111.3 | N404 Y455 K459 F742 K743 | N404-E457 PolarHBondContact OD1-N 3.23Å; Y455-E457 PolarHBondContact O-N 3.24Å; E457-K459 VanDerWaalsContact C-N 3.34Å; E457-K459 PolarHBondContact O-N 3.32Å; E457-F742 WeakPolarHBondContact O-CA 3.32Å; E457-K743 IonicContact OE1-NZ 3.58Å; E457-K743 PolarHBondContact OE1-NZ 3.04Å; E457-K743 WeakPolarHBondContact OE2-CD 3.47Å; E457-K743 IonicContact OE2-NZ 2.9Å |
| 458 | D | 90.1 | Very high | 92.9 | Very high | 7 Ų | 7 | 25.4 Ų | 25.4 | 4% | 0.037 | 12% | 0.122 | C | C | . | . | trans | -85.1 | 63.4 | -176.3 | -73.7 | -36.3 | 0 | 0 | 0 | 112.4 | S415 P419 D460 V461 R707 | S415-D458 PolarHBondContact OG-OD2 3.38Å; P419-D458 HydrophobicContact CG-CB 3.99Å; P419-D458 WeakPolarHBondContact CG-O 3.45Å; D458-D460 VanDerWaalsContact C-N 3.29Å; D458-D460 PolarHBondContact O-N 3.08Å; D458-V461 HydrophobicContact CB-CB 4.4Å; D458-V461 HydrophobicContact CB-CG2 3.91Å; D458-V461 WeakPolarHBondContact O-CB 3.48Å; D458-V461 PolarHBondContact O-N 3.38Å; D458-R707 IonicContact OD1-CZ 3Å; D458-R707 IonicContact OD1-NH1 3.73Å; D458-R707 IonicContact OD1-NH2 2.91Å; D458-R707 PolarHBondContact OD1-NH2 3.31Å; D458-R707 IonicContact OD2-NH2 3.73Å | ||
| 459 | K | 92.6 | Very high | 92.8 | Very high | 38 Ų | 38 | 23.9 Ų | 23.9 | 17% | 0.165 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.7 | -26.3 | -176.5 | -64.1 | -179.5 | 177.5 | 132.6 | 0 | 113.5 | F453 I456 E457 V461 F462 Q463 Y500 R741 | F453-K459 HydrophobicContact CE1-CD 4.14Å; F453-K459 HydrophobicContact CE2-CB 4.4Å; F453-K459 HydrophobicContact CE2-CG 4.25Å; F453-K459 HydrophobicContact CZ-CB 4.21Å; F453-K459 HydrophobicContact CZ-CD 3.95Å; F453-K459 HydrophobicContact CZ-CG 4.03Å; I456-K459 HydrophobicContact CB-CG 4.46Å; I456-K459 HydrophobicContact CG2-CG 4.17Å; I456-K459 VanDerWaalsContact O-CE 3.29Å; I456-K459 WeakPolarHBondContact O-CE 3.31Å; I456-K459 WeakPolarHBondContact O-CG 3.47Å; E457-K459 VanDerWaalsContact C-N 3.34Å; E457-K459 PolarHBondContact O-N 3.32Å; K459-V461 VanDerWaalsContact C-N 3.32Å; K459-F462 PolarHBondContact O-N 2.84Å; K459-Q463 PolarHBondContact O-N 2.72Å; K459-Y500 HydrophobicContact CB-CE2 4.29Å; K459-Y500 PolarHBondContact O-OH 2.92Å; K459-R741 WeakPolarHBondContact CA-O 3.5Å; K459-R741 WeakPolarHBondContact CB-O 3.34Å; K459-R741 PolarHBondContact N-O 3.36Å |
| 460 | D | 91.1 | Very high | 92.8 | Very high | 15 Ų | 15 | 23.9 Ų | 23.9 | 8% | 0.08 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.5 | -35 | 174 | 65.1 | -27 | 0 | 0 | 0 | 112.8 | D458 Q463 K464 R707 R741 F742 | D458-D460 VanDerWaalsContact C-N 3.29Å; D458-D460 PolarHBondContact O-N 3.08Å; D460-Q463 WeakPolarHBondContact O-CB 3.44Å; D460-Q463 PolarHBondContact O-N 3.29Å; D460-K464 PolarHBondContact O-N 3.46Å; D460-R707 IonicContact OD1-CZ 2.77Å; D460-R707 IonicContact OD1-NE 3.83Å; D460-R707 IonicContact OD1-NH2 3.86Å; D460-R707 PolarHBondContact OD1-NH2 2.94Å; D460-R707 WeakPolarHBondContact OD2-CG 3.38Å; D460-R707 IonicContact OD2-CZ 2.68Å; D460-R707 IonicContact OD2-NE 3.76Å; D460-R707 PolarHBondContact OD2-NE 3.19Å; D460-R707 IonicContact OD2-NH2 2.81Å; D460-R707 PolarHBondContact OD2-NH2 3.44Å; D460-R741 PolarHBondContact N-O 3.27Å; D460-F742 WeakPolarHBondContact OD1-CB 3.44Å |
| 461 | V | 92.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.5 | -50.9 | 173.2 | 177 | 0 | 0 | 0 | 0 | 109.7 | P419 D458 K459 Q463 K464 F465 I703 | P419-V461 HydrophobicContact CB-CB 3.98Å; P419-V461 HydrophobicContact CB-CG1 3.99Å; P419-V461 HydrophobicContact CG-CB 4.25Å; P419-V461 HydrophobicContact CG-CG1 4.39Å; D458-V461 HydrophobicContact CB-CB 4.4Å; D458-V461 HydrophobicContact CB-CG2 3.91Å; D458-V461 WeakPolarHBondContact O-CB 3.48Å; D458-V461 PolarHBondContact O-N 3.38Å; K459-V461 VanDerWaalsContact C-N 3.32Å; V461-Q463 VanDerWaalsContact C-N 3.27Å; V461-Q463 PolarHBondContact O-N 3.48Å; V461-K464 PolarHBondContact O-N 2.93Å; V461-F465 HydrophobicContact CG1-CD2 3.75Å; V461-F465 HydrophobicContact CG1-CE2 3.86Å; V461-F465 WeakPolarHBondContact O-CD2 3.4Å; V461-F465 PolarHBondContact O-N 3.39Å; V461-F465 VanDerWaalsContact O-N 3.1Å; V461-I703 HydrophobicContact CB-CD1 4.43Å; V461-I703 HydrophobicContact CG1-CD1 4.28Å; V461-I703 HydrophobicContact CG2-CD1 4.34Å; V461-I703 HydrophobicContact CG2-CG2 4.13Å |
| 462 | F | 94.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -54.6 | -47.1 | 174.7 | 177 | -85.4 | 0 | 0 | 0 | 110.6 | P419 L422 A423 F453 K459 K464 F465 Y466 M488 L492 | P419-F462 HydrophobicContact CB-CB 4Å; L422-F462 HydrophobicContact CB-CD2 4.14Å; L422-F462 HydrophobicContact CB-CE2 4.26Å; L422-F462 HydrophobicContact CD2-CD2 4.14Å; L422-F462 HydrophobicContact CD2-CE2 4.16Å; L422-F462 HydrophobicContact CG-CD2 4.16Å; L422-F462 HydrophobicContact CG-CE2 3.93Å; A423-F462 HydrophobicContact CB-CD2 3.73Å; A423-F462 HydrophobicContact CB-CE2 3.9Å; A423-F462 HydrophobicContact CB-CG 4.39Å; F453-F462 HydrophobicContact CD2-CD1 4.07Å; F453-F462 HydrophobicContact CD2-CD2 4.28Å; F453-F462 HydrophobicContact CD2-CE1 4.32Å; F453-F462 HydrophobicContact CD2-CE2 4.49Å; F453-F462 HydrophobicContact CD2-CG 4.06Å; F453-F462 HydrophobicContact CE2-CB 4.13Å; F453-F462 AromaticContact CE2-CD1 3.53Å; F453-F462 HydrophobicContact CE2-CD1 3.53Å; F453-F462 HydrophobicContact CE2-CD2 4.44Å; F453-F462 HydrophobicContact CE2-CE1 4.03Å; F453-F462 AromaticContact CE2-CG 3.78Å; F453-F462 HydrophobicContact CE2-CG 3.78Å; F453-F462 HydrophobicContact CZ-CD1 4.47Å; K459-F462 PolarHBondContact O-N 2.84Å; F462-K464 PolarHBondContact O-N 3.12Å; F462-F465 PolarHBondContact O-N 3.27Å; F462-Y466 AromaticContact CE1-CD2 3.98Å; F462-Y466 HydrophobicContact CE1-CD2 3.98Å; F462-Y466 HydrophobicContact CE1-CG 4.01Å; F462-Y466 AromaticContact CZ-CD2 3.76Å; F462-Y466 HydrophobicContact CZ-CD2 3.76Å; F462-Y466 HydrophobicContact CZ-CE2 4.46Å; F462-Y466 HydrophobicContact CZ-CG 4.26Å; F462-Y466 WeakPolarHBondContact O-CB 3.37Å; F462-Y466 PolarHBondContact O-N 3.32Å; F462-M488 HydrophobicContact CZ-CE 4.11Å; F462-L492 HydrophobicContact CD1-CD2 4.39Å; F462-L492 HydrophobicContact CE1-CD1 4.06Å; F462-L492 HydrophobicContact CE1-CD2 3.7Å; F462-L492 HydrophobicContact CZ-CD2 4.42Å |
| 463 | Q | 93.1 | Very high | 92.3 | Very high | 32 Ų | 32 | 23.5 Ų | 23.5 | 15% | 0.15 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -55.4 | -48 | 179.9 | -159.8 | -168.5 | -7.8 | 0 | 0 | 112.1 | K459 D460 V461 A467 Y500 | K459-Q463 PolarHBondContact O-N 2.72Å; D460-Q463 WeakPolarHBondContact O-CB 3.44Å; D460-Q463 PolarHBondContact O-N 3.29Å; V461-Q463 VanDerWaalsContact C-N 3.27Å; V461-Q463 PolarHBondContact O-N 3.48Å; Q463-A467 WeakPolarHBondContact O-CB 3.15Å; Q463-A467 PolarHBondContact O-N 2.97Å; Q463-Y500 HydrophobicContact CB-CE1 4.19Å; Q463-Y500 HydrophobicContact CB-CE2 3.67Å; Q463-Y500 VanDerWaalsContact CB-CZ 3.47Å; Q463-Y500 VanDerWaalsContact CB-OH 3.31Å; Q463-Y500 WeakPolarHBondContact CB-OH 3.33Å; Q463-Y500 HydrophobicContact CG-CD1 4.27Å; Q463-Y500 HydrophobicContact CG-CD2 4.19Å; Q463-Y500 HydrophobicContact CG-CE1 3.84Å; Q463-Y500 HydrophobicContact CG-CE2 3.75Å; Q463-Y500 HydrophobicContact CG-CG 4.44Å; Q463-Y500 PolarHBondContact N-OH 2.95Å; Q463-Y500 PolarHBondContact NE2-O 3.47Å |
| 464 | K | 91.4 | Very high | 92.2 | Very high | 49 Ų | 49 | 23.9 Ų | 23.9 | 21% | 0.213 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -68.3 | -43.9 | -175.4 | -120.5 | -73.3 | -167.8 | 177.3 | 0 | 111.6 | D460 V461 F462 K468 T699 I703 | D460-K464 PolarHBondContact O-N 3.46Å; V461-K464 PolarHBondContact O-N 2.93Å; F462-K464 PolarHBondContact O-N 3.12Å; K464-K468 WeakPolarHBondContact O-CB 3.43Å; K464-K468 PolarHBondContact O-N 3.02Å; K464-K468 VanDerWaalsContact O-N 3.13Å; K464-T699 HydrophobicContact CB-CG2 4.45Å; K464-T699 HydrophobicContact CD-CG2 4.23Å; K464-I703 HydrophobicContact CB-CD1 3.86Å; K464-I703 HydrophobicContact CB-CG1 3.79Å; K464-I703 HydrophobicContact CG-CD1 4.37Å; K464-I703 HydrophobicContact CG-CG1 3.77Å |
| 465 | F | 92.4 | Very high | 92 | Very high | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.009 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -66.4 | -45.4 | 175.6 | -82.1 | -76.2 | 0 | 0 | 0 | 111.6 | E420 A423 V461 F462 K468 M469 Q696 T699 H700 I703 | E420-F465 HydrophobicContact CB-CD2 4.18Å; E420-F465 HydrophobicContact CB-CE2 4.19Å; E420-F465 HydrophobicContact CG-CD1 3.99Å; E420-F465 HydrophobicContact CG-CD2 3.99Å; E420-F465 HydrophobicContact CG-CE1 3.87Å; E420-F465 HydrophobicContact CG-CE2 3.89Å; E420-F465 HydrophobicContact CG-CG 4.06Å; E420-F465 HydrophobicContact CG-CZ 3.84Å; A423-F465 HydrophobicContact CB-CB 3.78Å; V461-F465 HydrophobicContact CG1-CD2 3.75Å; V461-F465 HydrophobicContact CG1-CE2 3.86Å; V461-F465 WeakPolarHBondContact O-CD2 3.4Å; V461-F465 PolarHBondContact O-N 3.39Å; V461-F465 VanDerWaalsContact O-N 3.1Å; F462-F465 PolarHBondContact O-N 3.27Å; F465-K468 PolarHBondContact O-N 3.42Å; F465-M469 WeakPolarHBondContact O-CB 3.42Å; F465-M469 WeakPolarHBondContact O-CG 3.48Å; F465-M469 PolarHBondContact O-N 3.19Å; F465-Q696 HydrophobicContact CE1-CG 4.2Å; F465-Q696 HydrophobicContact CZ-CG 4.29Å; F465-T699 HydrophobicContact CD1-CG2 4.23Å; F465-T699 HydrophobicContact CD2-CG2 4.36Å; F465-T699 HydrophobicContact CE1-CG2 3.93Å; F465-T699 HydrophobicContact CE2-CG2 4.05Å; F465-T699 HydrophobicContact CG-CG2 4.43Å; F465-T699 HydrophobicContact CZ-CG2 3.81Å; F465-H700 AromaticContact CE2-CE1 3.64Å; F465-H700 AromaticContact CE2-NE2 3.77Å; F465-H700 AromaticContact CZ-CD2 3.83Å; F465-H700 AromaticContact CZ-CE1 3.8Å; F465-H700 AromaticContact CZ-NE2 3.43Å; F465-H700 WeakPolarHBondContact CZ-NE2 3.34Å; F465-I703 HydrophobicContact CD2-CD1 4.44Å; F465-I703 HydrophobicContact CE2-CD1 4.09Å |
| 466 | Y | 94.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61 | -46.9 | 176.9 | -172.4 | -87.8 | 0 | 0 | 0 | 111.6 | C426 L430 F462 K468 M469 L470 E485 M488 L492 L504 | C426-Y466 HydrophobicContact CB-CD2 4.22Å; C426-Y466 HydrophobicContact CB-CE2 4.03Å; L430-Y466 HydrophobicContact CD1-CE2 4.22Å; L430-Y466 WeakPolarHBondContact CD1-OH 3.45Å; F462-Y466 AromaticContact CE1-CD2 3.98Å; F462-Y466 HydrophobicContact CE1-CD2 3.98Å; F462-Y466 HydrophobicContact CE1-CG 4.01Å; F462-Y466 AromaticContact CZ-CD2 3.76Å; F462-Y466 HydrophobicContact CZ-CD2 3.76Å; F462-Y466 HydrophobicContact CZ-CE2 4.46Å; F462-Y466 HydrophobicContact CZ-CG 4.26Å; F462-Y466 WeakPolarHBondContact O-CB 3.37Å; F462-Y466 PolarHBondContact O-N 3.32Å; Y466-K468 VanDerWaalsContact C-N 3.31Å; Y466-K468 PolarHBondContact O-N 3.49Å; Y466-M469 PolarHBondContact O-N 3.36Å; Y466-L470 HydrophobicContact CD1-CB 4.48Å; Y466-L470 HydrophobicContact CE1-CB 4.3Å; Y466-L470 HydrophobicContact CE1-CD2 4.17Å; Y466-L470 VanDerWaalsContact O-CB 3.27Å; Y466-L470 WeakPolarHBondContact O-CB 3.19Å; Y466-L470 PolarHBondContact O-N 2.89Å; Y466-E485 PolarHBondContact OH-OE2 2.98Å; Y466-M488 HydrophobicContact CE2-CG 4.12Å; Y466-M488 VanDerWaalsContact OH-CG 3.28Å; Y466-M488 WeakPolarHBondContact OH-CG 3.41Å; Y466-L492 HydrophobicContact CD1-CD1 4.3Å; Y466-L492 HydrophobicContact CE1-CD1 4.16Å; Y466-L504 HydrophobicContact CD1-CD1 4Å; Y466-L504 HydrophobicContact CD1-CD2 4.31Å; Y466-L504 HydrophobicContact CE1-CD1 4.15Å |
| 467 | A | 93.3 | Very high | 91.4 | Very high | 15 Ų | 15 | 27.7 Ų | 27.7 | 12% | 0.124 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59 | -41.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | Q463 A471 L504 M507 | Q463-A467 WeakPolarHBondContact O-CB 3.15Å; Q463-A467 PolarHBondContact O-N 2.97Å; A467-A471 VanDerWaalsContact O-CB 3.24Å; A467-A471 WeakPolarHBondContact O-CB 3.25Å; A467-A471 PolarHBondContact O-N 2.84Å; A467-L504 HydrophobicContact CB-CD2 3.59Å; A467-M507 HydrophobicContact CB-CE 4.17Å |
| 468 | K | 90.8 | Very high | 91.4 | Very high | 22 Ų | 22 | 26.4 Ų | 26.4 | 10% | 0.096 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.4 | -44.4 | 177.1 | -175.5 | 170.9 | 114.3 | 173.7 | 0 | 112.4 | K464 F465 Y466 A471 K472 P546 E695 T699 | K464-K468 WeakPolarHBondContact O-CB 3.43Å; K464-K468 PolarHBondContact O-N 3.02Å; K464-K468 VanDerWaalsContact O-N 3.13Å; F465-K468 PolarHBondContact O-N 3.42Å; Y466-K468 VanDerWaalsContact C-N 3.31Å; Y466-K468 PolarHBondContact O-N 3.49Å; K468-A471 PolarHBondContact O-N 2.88Å; K468-K472 WeakPolarHBondContact O-CG 3.15Å; K468-K472 PolarHBondContact O-N 2.67Å; K468-K472 VanDerWaalsContact O-N 3.1Å; K468-P546 HydrophobicContact CB-CG 4.31Å; K468-E695 HydrophobicContact CD-CG 4.41Å; K468-E695 VanDerWaalsContact CD-OE1 3.23Å; K468-E695 WeakPolarHBondContact CD-OE1 3.43Å; K468-E695 WeakPolarHBondContact CE-OE1 3.33Å; K468-E695 PolarHBondContact NZ-O 2.82Å; K468-E695 IonicContact NZ-OE1 3.62Å; K468-E695 PolarHBondContact NZ-OE1 2.75Å; K468-E695 VanDerWaalsContact NZ-OE1 3.17Å; K468-E695 IonicContact NZ-OE2 2.97Å; K468-E695 PolarHBondContact NZ-OE2 3.25Å; K468-T699 PolarHBondContact NZ-OG1 2.93Å |
| 469 | M | 92 | Very high | 91.4 | Very high | 23 Ų | 23 | 26.8 Ų | 26.8 | 11% | 0.113 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67 | -44.6 | 178.1 | -75 | 170.7 | 173.6 | 0 | 0 | 111.6 | R424 D427 F465 Y466 A471 K472 R473 | R424-M469 HydrophobicContact CB-CE 4.38Å; R424-M469 HydrophobicContact CG-CE 3.45Å; R424-M469 VanDerWaalsContact CG-CE 3.45Å; R424-M469 HydrophobicContact CG-SD 4.33Å; D427-M469 HydrophobicContact CB-CB 4.05Å; D427-M469 HydrophobicContact CB-CG 4.17Å; D427-M469 HydrophobicContact CB-SD 3.58Å; D427-M469 VanDerWaalsContact CB-SD 3.58Å; D427-M469 WeakPolarHBondContact OD1-CB 3.31Å; F465-M469 WeakPolarHBondContact O-CB 3.42Å; F465-M469 WeakPolarHBondContact O-CG 3.48Å; F465-M469 PolarHBondContact O-N 3.19Å; Y466-M469 PolarHBondContact O-N 3.36Å; M469-A471 PolarHBondContact O-N 3.04Å; M469-K472 PolarHBondContact O-N 3.13Å; M469-R473 WeakPolarHBondContact O-CG 3.38Å; M469-R473 PolarHBondContact O-N 2.76Å |
| 470 | L | 93.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.6 | -47.8 | 173.2 | 176.3 | 62.8 | 0 | 0 | 0 | 111.2 | Y466 K472 R473 L474 E485 I489 L504 M507 F508 | Y466-L470 HydrophobicContact CD1-CB 4.48Å; Y466-L470 HydrophobicContact CE1-CB 4.3Å; Y466-L470 HydrophobicContact CE1-CD2 4.17Å; Y466-L470 VanDerWaalsContact O-CB 3.27Å; Y466-L470 WeakPolarHBondContact O-CB 3.19Å; Y466-L470 PolarHBondContact O-N 2.89Å; L470-K472 VanDerWaalsContact C-N 3.27Å; L470-K472 PolarHBondContact O-N 2.88Å; L470-R473 PolarHBondContact O-N 3.22Å; L470-R473 VanDerWaalsContact O-N 3.08Å; L470-L474 HydrophobicContact CD1-CD1 3.94Å; L470-L474 HydrophobicContact CD1-CD2 4.29Å; L470-L474 HydrophobicContact CD1-CG 3.81Å; L470-L474 HydrophobicContact CD2-CD1 4.43Å; L470-L474 HydrophobicContact CG-CD1 3.87Å; L470-L474 HydrophobicContact CG-CG 4.15Å; L470-L474 WeakPolarHBondContact O-CB 3.42Å; L470-L474 WeakPolarHBondContact O-CG 3.45Å; L470-L474 PolarHBondContact O-N 2.95Å; L470-E485 WeakPolarHBondContact CD1-OE2 3.43Å; L470-I489 HydrophobicContact CD2-CD1 4.07Å; L470-L504 HydrophobicContact CD2-CB 4.15Å; L470-L504 HydrophobicContact CD2-CD2 4.1Å; L470-M507 HydrophobicContact CD2-CE 3.99Å; L470-F508 HydrophobicContact CD1-CE2 3.71Å; L470-F508 HydrophobicContact CD1-CZ 4.18Å; L470-F508 HydrophobicContact CD2-CD2 4.41Å; L470-F508 HydrophobicContact CD2-CE2 4.04Å; L470-F508 HydrophobicContact CG-CE2 4.41Å |
| 471 | A | 92.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -55.7 | -43.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A467 K468 M469 V475 M507 W545 P546 F547 | A467-A471 VanDerWaalsContact O-CB 3.24Å; A467-A471 WeakPolarHBondContact O-CB 3.25Å; A467-A471 PolarHBondContact O-N 2.84Å; K468-A471 PolarHBondContact O-N 2.88Å; M469-A471 PolarHBondContact O-N 3.04Å; A471-V475 WeakPolarHBondContact O-CB 3.49Å; A471-V475 WeakPolarHBondContact O-CG2 3.45Å; A471-V475 PolarHBondContact O-N 3.27Å; A471-M507 HydrophobicContact CB-SD 3.93Å; A471-W545 HydrophobicContact CB-CE3 3.7Å; A471-W545 HydrophobicContact CB-CZ3 3.83Å; A471-P546 HydrophobicContact CB-CG 3.68Å; A471-F547 HydrophobicContact CB-CE1 4.04Å; A471-F547 HydrophobicContact CB-CE2 4.3Å; A471-F547 HydrophobicContact CB-CZ 3.66Å |
| 472 | K | 89.3 | Confident | 91 | Very high | 66 Ų | 66 | 31.5 Ų | 31.5 | 29% | 0.287 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -64.3 | -45.6 | 174.4 | -70.1 | -174.6 | -177.4 | -167.7 | 0 | 111.9 | K468 M469 L470 L474 V475 H476 E695 | K468-K472 WeakPolarHBondContact O-CG 3.15Å; K468-K472 PolarHBondContact O-N 2.67Å; K468-K472 VanDerWaalsContact O-N 3.1Å; M469-K472 PolarHBondContact O-N 3.13Å; L470-K472 VanDerWaalsContact C-N 3.27Å; L470-K472 PolarHBondContact O-N 2.88Å; K472-L474 VanDerWaalsContact C-N 3.35Å; K472-L474 PolarHBondContact O-N 2.78Å; K472-V475 PolarHBondContact O-N 2.8Å; K472-H476 WeakPolarHBondContact O-CB 3.37Å; K472-H476 PolarHBondContact O-N 2.63Å; K472-H476 PolarHBondContact O-ND1 2.91Å; K472-E695 WeakPolarHBondContact CE-OE1 3.32Å; K472-E695 IonicContact NZ-OE1 2.84Å; K472-E695 PolarHBondContact NZ-OE1 3.29Å; K472-E695 IonicContact NZ-OE2 3.69Å; K472-E695 PolarHBondContact NZ-OE2 3.03Å |
| 473 | R | 92.1 | Very high | 90.9 | Very high | 6 Ų | 6 | 37.4 Ų | 37.4 | 2% | 0.023 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.3 | -43.1 | 179.3 | -68.5 | -167.9 | -54.1 | -91.5 | 6.1 | 112 | D427 M469 L470 Q477 N478 E485 | D427-R473 WeakPolarHBondContact OD1-CD 3.09Å; D427-R473 IonicContact OD1-CZ 3.17Å; D427-R473 IonicContact OD1-NE 3.43Å; D427-R473 IonicContact OD1-NH1 3.6Å; D427-R473 PolarHBondContact OD1-NH1 2.92Å; M469-R473 WeakPolarHBondContact O-CG 3.38Å; M469-R473 PolarHBondContact O-N 2.76Å; L470-R473 PolarHBondContact O-N 3.22Å; L470-R473 VanDerWaalsContact O-N 3.08Å; R473-Q477 WeakPolarHBondContact O-CA 3.43Å; R473-Q477 PolarHBondContact O-N 3.36Å; R473-N478 PolarHBondContact O-N 2.71Å; R473-E485 IonicContact CZ-OE1 3.73Å; R473-E485 IonicContact CZ-OE2 3.6Å; R473-E485 IonicContact NE-OE1 3.35Å; R473-E485 PolarHBondContact NE-OE1 2.74Å; R473-E485 IonicContact NE-OE2 3.62Å; R473-E485 IonicContact NH2-OE1 2.68Å; R473-E485 PolarHBondContact NH2-OE1 3.48Å; R473-E485 IonicContact NH2-OE2 3.12Å; R473-E485 PolarHBondContact NH2-OE2 3.41Å |
| 474 | L | 92 | Very high | 90.9 | Very high | 9 Ų | 9 | 36.4 Ų | 36.4 | 5% | 0.047 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.3 | -48.2 | 177.9 | -71.7 | -179.6 | 0 | 0 | 0 | 112.6 | L470 K472 H476 Q477 M507 F508 I511 W545 | L470-L474 HydrophobicContact CD1-CD1 3.94Å; L470-L474 HydrophobicContact CD1-CD2 4.29Å; L470-L474 HydrophobicContact CD1-CG 3.81Å; L470-L474 HydrophobicContact CD2-CD1 4.43Å; L470-L474 HydrophobicContact CG-CD1 3.87Å; L470-L474 HydrophobicContact CG-CG 4.15Å; L470-L474 WeakPolarHBondContact O-CB 3.42Å; L470-L474 WeakPolarHBondContact O-CG 3.45Å; L470-L474 PolarHBondContact O-N 2.95Å; K472-L474 VanDerWaalsContact C-N 3.35Å; K472-L474 PolarHBondContact O-N 2.78Å; L474-H476 PolarHBondContact O-N 3.46Å; L474-Q477 PolarHBondContact O-N 3.27Å; L474-M507 HydrophobicContact CD1-CB 3.87Å; L474-F508 HydrophobicContact CD1-CD2 4.28Å; L474-F508 HydrophobicContact CD1-CE2 4.27Å; L474-F508 HydrophobicContact CD2-CD1 4.4Å; L474-F508 HydrophobicContact CD2-CE1 3.88Å; L474-F508 HydrophobicContact CD2-CE2 4.17Å; L474-F508 HydrophobicContact CD2-CZ 3.71Å; L474-I511 HydrophobicContact CB-CD1 4.23Å; L474-I511 HydrophobicContact CB-CG1 4.03Å; L474-I511 HydrophobicContact CD1-CG1 4.32Å; L474-I511 HydrophobicContact CD2-CG1 4.44Å; L474-W545 HydrophobicContact CB-CH2 3.96Å; L474-W545 HydrophobicContact CB-CZ3 4.36Å; L474-W545 HydrophobicContact CD1-CH2 4.04Å |
| 475 | V | 89.6 | Confident | 90.9 | Very high | 17 Ų | 17 | 34 Ų | 34 | 10% | 0.103 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.7 | -44.3 | 178.6 | 168.5 | 0 | 0 | 0 | 0 | 111.2 | A471 K472 Q477 Q538 L540 W545 F547 | A471-V475 WeakPolarHBondContact O-CB 3.49Å; A471-V475 WeakPolarHBondContact O-CG2 3.45Å; A471-V475 PolarHBondContact O-N 3.27Å; K472-V475 PolarHBondContact O-N 2.8Å; V475-Q477 VanDerWaalsContact C-N 3.25Å; V475-Q477 PolarHBondContact O-N 2.97Å; V475-Q538 PolarHBondContact O-NE2 3.05Å; V475-L540 HydrophobicContact CG2-CD1 3.98Å; V475-W545 HydrophobicContact CG2-CH2 4.33Å; V475-W545 HydrophobicContact CG2-CZ3 3.76Å; V475-F547 HydrophobicContact CG2-CE2 3.67Å; V475-F547 HydrophobicContact CG2-CZ 3.76Å |
| 476 | H | 86.6 | Confident | 91 | Very high | 65 Ų | 65 | 36.4 Ų | 36.4 | 30% | 0.301 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -80.5 | -5 | -177.7 | -63.6 | 89.4 | 0 | 0 | 0 | 113.7 | K472 L474 N478 K587 | K472-H476 WeakPolarHBondContact O-CB 3.37Å; K472-H476 PolarHBondContact O-N 2.63Å; K472-H476 PolarHBondContact O-ND1 2.91Å; L474-H476 PolarHBondContact O-N 3.46Å; H476-N478 VanDerWaalsContact C-N 3.28Å; H476-N478 HydrophobicContact CB-CB 4.22Å; H476-N478 PolarHBondContact O-N 3.03Å; H476-K587 PolarHBondContact O-NZ 2.64Å |
| 477 | Q | 86.6 | Confident | 91 | Very high | 138 Ų | 138 | 37.8 Ų | 37.8 | 65% | 0.645 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 46.6 | -172.8 | -58.6 | 178.4 | 10.7 | 0 | 0 | 112 | R473 L474 V475 | R473-Q477 WeakPolarHBondContact O-CA 3.43Å; R473-Q477 PolarHBondContact O-N 3.36Å; L474-Q477 PolarHBondContact O-N 3.27Å; V475-Q477 VanDerWaalsContact C-N 3.25Å; V475-Q477 PolarHBondContact O-N 2.97Å |
| 478 | N | 88.1 | Confident | 91 | Very high | 50 Ų | 50 | 37 Ų | 37 | 27% | 0.267 | 21% | 0.206 | S | C | . | . | trans | -117.4 | 23.3 | -172.8 | -164.1 | 46.6 | 0 | 0 | 0 | 112.8 | K431 K432 R473 H476 | K431-N478 WeakPolarHBondContact CA-O 3.49Å; K431-N478 WeakPolarHBondContact CE-ND2 3.44Å; K431-N478 WeakPolarHBondContact CG-ND2 3.31Å; K432-N478 PolarHBondContact N-O 3.37Å; R473-N478 PolarHBondContact O-N 2.71Å; H476-N478 VanDerWaalsContact C-N 3.28Å; H476-N478 HydrophobicContact CB-CB 4.22Å; H476-N478 PolarHBondContact O-N 3.03Å | ||
| 479 | S | 90.3 | Very high | 91.2 | Very high | 16 Ų | 16 | 36.3 Ų | 36.3 | 11% | 0.112 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | -75.8 | 147.3 | 170.6 | -66.6 | 0 | 0 | 0 | 0 | 110.6 | L430 E485 | L430-S479 CarbonylContact O-C 3.52Å; L430-S479 WeakPolarHBondContact O-CA 3.23Å; S479-E485 WeakPolarHBondContact CB-OE1 3.37Å; S479-E485 PolarHBondContact OG-OE1 3.38Å |
| 480 | A | 89.3 | Confident | 91.4 | Very high | 35 Ų | 35 | 37.9 Ų | 37.9 | 29% | 0.289 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -66.7 | -48.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L430 N436 | L430-A480 WeakPolarHBondContact O-CB 3.49Å; L430-A480 PolarHBondContact O-N 3.09Å; N436-A480 WeakPolarHBondContact ND2-CB 3.29Å |
| 481 | S | 90.3 | Very high | 91.4 | Very high | 24 Ų | 24 | 39.4 Ų | 39.4 | 17% | 0.168 | 22% | 0.223 | C | C | . | . | trans | -153.4 | 137.7 | 178.2 | 169.2 | 0 | 0 | 0 | 0 | 108.8 | D483 A484 E485 | S481-D483 VanDerWaalsContact C-N 3.28Å; S481-D483 PolarHBondContact OG-N 3.01Å; S481-A484 PolarHBondContact OG-N 3.49Å; S481-E485 WeakPolarHBondContact O-CG 3.36Å; S481-E485 PolarHBondContact O-N 2.94Å | ||
| 482 | D | 89.5 | Confident | 91.5 | Very high | 92 Ų | 92 | 39.5 Ų | 39.5 | 49% | 0.492 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66.9 | -33.5 | 175.6 | -72.6 | -10.8 | 0 | 0 | 0 | 110.6 | E485 A486 | D482-E485 PolarHBondContact O-N 3.43Å; D482-A486 WeakPolarHBondContact O-CB 3.42Å; D482-A486 PolarHBondContact O-N 2.91Å |
| 483 | D | 91.4 | Very high | 91.7 | Very high | 124 Ų | 124 | 40.4 Ų | 40.4 | 66% | 0.663 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -69.7 | -40.4 | 178.5 | -68.2 | -27.9 | 0 | 0 | 0 | 111.8 | S481 E485 A486 S487 | S481-D483 VanDerWaalsContact C-N 3.28Å; S481-D483 PolarHBondContact OG-N 3.01Å; D483-E485 VanDerWaalsContact C-N 3.32Å; D483-E485 PolarHBondContact O-N 3.06Å; D483-A486 PolarHBondContact O-N 3.26Å; D483-S487 WeakPolarHBondContact O-CB 3.38Å; D483-S487 PolarHBondContact O-N 2.86Å |
| 484 | A | 92.3 | Very high | 91.6 | Very high | 11 Ų | 11 | 47.8 Ų | 47.8 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.7 | -38.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L430 L442 S481 S487 M488 | L430-A484 HydrophobicContact CD2-CB 3.9Å; L442-A484 HydrophobicContact CD2-CB 3.93Å; S481-A484 PolarHBondContact OG-N 3.49Å; A484-S487 PolarHBondContact O-N 3.44Å; A484-M488 PolarHBondContact O-N 3.08Å |
| 485 | E | 93.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.2 | -41.8 | 175.8 | -63.7 | -91.2 | -156.9 | 0 | 0 | 111.8 | Y466 L470 R473 S479 S481 D482 D483 M488 I489 F508 | Y466-E485 PolarHBondContact OH-OE2 2.98Å; L470-E485 WeakPolarHBondContact CD1-OE2 3.43Å; R473-E485 IonicContact CZ-OE1 3.73Å; R473-E485 IonicContact CZ-OE2 3.6Å; R473-E485 IonicContact NE-OE1 3.35Å; R473-E485 PolarHBondContact NE-OE1 2.74Å; R473-E485 IonicContact NE-OE2 3.62Å; R473-E485 IonicContact NH2-OE1 2.68Å; R473-E485 PolarHBondContact NH2-OE1 3.48Å; R473-E485 IonicContact NH2-OE2 3.12Å; R473-E485 PolarHBondContact NH2-OE2 3.41Å; S479-E485 WeakPolarHBondContact CB-OE1 3.37Å; S479-E485 PolarHBondContact OG-OE1 3.38Å; S481-E485 WeakPolarHBondContact O-CG 3.36Å; S481-E485 PolarHBondContact O-N 2.94Å; D482-E485 PolarHBondContact O-N 3.43Å; D483-E485 VanDerWaalsContact C-N 3.32Å; D483-E485 PolarHBondContact O-N 3.06Å; E485-M488 PolarHBondContact O-N 2.98Å; E485-I489 WeakPolarHBondContact O-CG1 3.39Å; E485-I489 PolarHBondContact O-N 3.31Å; E485-F508 HydrophobicContact CB-CE1 4.18Å; E485-F508 HydrophobicContact CB-CE2 3.89Å; E485-F508 HydrophobicContact CB-CZ 3.26Å; E485-F508 HydrophobicContact CG-CZ 3.99Å |
| 486 | A | 93.1 | Very high | 91.4 | Very high | 51 Ų | 51 | 50.6 Ų | 50.6 | 42% | 0.421 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D482 D483 I489 S490 | D482-A486 WeakPolarHBondContact O-CB 3.42Å; D482-A486 PolarHBondContact O-N 2.91Å; D483-A486 PolarHBondContact O-N 3.26Å; A486-I489 PolarHBondContact O-N 3.08Å; A486-S490 WeakPolarHBondContact O-CB 3.44Å; A486-S490 PolarHBondContact O-N 2.95Å |
| 487 | S | 94.4 | Very high | 91.5 | Very high | 29 Ų | 29 | 49 Ų | 49 | 20% | 0.203 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57 | -50.8 | 173.4 | 178.2 | 0 | 0 | 0 | 0 | 110.9 | E443 D483 A484 I489 S490 K491 | E443-S487 PolarHBondContact OE1-OG 3.48Å; E443-S487 VanDerWaalsContact OE1-OG 3.11Å; E443-S487 PolarHBondContact OE2-OG 3.47Å; D483-S487 WeakPolarHBondContact O-CB 3.38Å; D483-S487 PolarHBondContact O-N 2.86Å; A484-S487 PolarHBondContact O-N 3.44Å; S487-I489 PolarHBondContact O-N 3.41Å; S487-S490 WeakPolarHBondContact O-CA 3.44Å; S487-S490 VanDerWaalsContact O-CB 3.3Å; S487-S490 WeakPolarHBondContact O-CB 3.34Å; S487-S490 PolarHBondContact O-N 3.15Å; S487-K491 WeakPolarHBondContact O-CG 3.23Å; S487-K491 PolarHBondContact O-N 3.36Å; S487-K491 WeakPolarHBondContact OG-CE 3.37Å |
| 488 | M | 95.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 179.5 | -172.5 | 59.7 | -172 | 0 | 0 | 112.4 | L430 L446 V449 M450 F462 Y466 A484 E485 S490 K491 L492 | L430-M488 HydrophobicContact CD1-CB 4.32Å; L430-M488 HydrophobicContact CD1-CG 4.27Å; L446-M488 HydrophobicContact CB-SD 4.49Å; L446-M488 HydrophobicContact CD2-SD 4.03Å; V449-M488 HydrophobicContact CG1-CE 4.16Å; M450-M488 HydrophobicContact SD-CE 3.71Å; M450-M488 HydrophobicContact SD-SD 4.28Å; F462-M488 HydrophobicContact CZ-CE 4.11Å; Y466-M488 HydrophobicContact CE2-CG 4.12Å; Y466-M488 VanDerWaalsContact OH-CG 3.28Å; Y466-M488 WeakPolarHBondContact OH-CG 3.41Å; A484-M488 PolarHBondContact O-N 3.08Å; E485-M488 PolarHBondContact O-N 2.98Å; M488-S490 VanDerWaalsContact C-N 3.31Å; M488-S490 PolarHBondContact O-N 3.42Å; M488-K491 PolarHBondContact O-N 3Å; M488-L492 HydrophobicContact CE-CD1 4.37Å; M488-L492 HydrophobicContact CE-CD2 4.18Å; M488-L492 HydrophobicContact CE-CG 4.19Å; M488-L492 WeakPolarHBondContact O-CG 3.23Å; M488-L492 PolarHBondContact O-N 3.06Å |
| 489 | I | 94.2 | Very high | 91.5 | Very high | 6 Ų | 6 | 52.7 Ų | 52.7 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.4 | -38.7 | 175.2 | -67.6 | 170.5 | 0 | 0 | 0 | 111.1 | L470 E485 A486 S487 L492 K493 T501 L504 Q505 F508 | L470-I489 HydrophobicContact CD2-CD1 4.07Å; E485-I489 WeakPolarHBondContact O-CG1 3.39Å; E485-I489 PolarHBondContact O-N 3.31Å; A486-I489 PolarHBondContact O-N 3.08Å; S487-I489 PolarHBondContact O-N 3.41Å; I489-L492 PolarHBondContact O-N 3.43Å; I489-K493 WeakPolarHBondContact O-CB 3.14Å; I489-K493 PolarHBondContact O-N 2.88Å; I489-T501 HydrophobicContact CG2-CG2 4.33Å; I489-L504 HydrophobicContact CD1-CB 3.99Å; I489-L504 HydrophobicContact CG1-CB 4.2Å; I489-L504 HydrophobicContact CG1-CD1 4.41Å; I489-L504 HydrophobicContact CG2-CB 4.45Å; I489-Q505 HydrophobicContact CG2-CG 3.66Å; I489-F508 HydrophobicContact CD1-CD2 3.35Å; I489-F508 HydrophobicContact CD1-CE2 3.36Å |
| 490 | S | 94.9 | Very high | 91.4 | Very high | 57 Ų | 57 | 52 Ų | 52 | 40% | 0.399 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 175.8 | -168.6 | 0 | 0 | 0 | 0 | 111.8 | A486 S487 M488 L492 K493 Q494 | A486-S490 WeakPolarHBondContact O-CB 3.44Å; A486-S490 PolarHBondContact O-N 2.95Å; S487-S490 WeakPolarHBondContact O-CA 3.44Å; S487-S490 VanDerWaalsContact O-CB 3.3Å; S487-S490 WeakPolarHBondContact O-CB 3.34Å; S487-S490 PolarHBondContact O-N 3.15Å; M488-S490 VanDerWaalsContact C-N 3.31Å; M488-S490 PolarHBondContact O-N 3.42Å; S490-L492 PolarHBondContact O-N 2.86Å; S490-K493 WeakPolarHBondContact O-CB 3.44Å; S490-K493 PolarHBondContact O-N 2.56Å; S490-K493 VanDerWaalsContact O-N 3.15Å; S490-Q494 WeakPolarHBondContact O-CG 3.42Å; S490-Q494 PolarHBondContact O-N 3.09Å |
| 491 | K | 94.9 | Very high | 91.6 | Very high | 32 Ų | 32 | 50.3 Ų | 50.3 | 14% | 0.139 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 175.6 | -64.8 | 178.2 | -162.8 | -61.8 | 0 | 112.2 | E443 N447 M450 S487 M488 K493 Q494 A495 | E443-K491 WeakPolarHBondContact OE1-CE 3.29Å; E443-K491 IonicContact OE1-NZ 3.84Å; E443-K491 PolarHBondContact OE1-NZ 3.22Å; N447-K491 WeakPolarHBondContact OD1-CE 3.41Å; N447-K491 PolarHBondContact OD1-NZ 3.44Å; M450-K491 HydrophobicContact CE-CB 4.27Å; M450-K491 HydrophobicContact CG-CB 4.01Å; M450-K491 HydrophobicContact CG-CD 3.98Å; M450-K491 HydrophobicContact SD-CB 4.15Å; S487-K491 WeakPolarHBondContact O-CG 3.23Å; S487-K491 PolarHBondContact O-N 3.36Å; S487-K491 WeakPolarHBondContact OG-CE 3.37Å; M488-K491 PolarHBondContact O-N 3Å; K491-K493 VanDerWaalsContact C-N 3.29Å; K491-K493 PolarHBondContact O-N 3.05Å; K491-Q494 PolarHBondContact O-N 3.37Å; K491-A495 PolarHBondContact O-N 3.05Å |
| 492 | L | 94.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.8 | -36.1 | 174.6 | -68.3 | 172.6 | 0 | 0 | 0 | 112 | M450 F453 F462 Y466 M488 I489 S490 A495 C496 Y500 T501 L504 | M450-L492 HydrophobicContact CE-CD2 4.22Å; M450-L492 HydrophobicContact SD-CD2 4.08Å; F453-L492 HydrophobicContact CE1-CD2 4.09Å; F453-L492 HydrophobicContact CE2-CD2 4.1Å; F453-L492 HydrophobicContact CZ-CD2 3.86Å; F462-L492 HydrophobicContact CD1-CD2 4.39Å; F462-L492 HydrophobicContact CE1-CD1 4.06Å; F462-L492 HydrophobicContact CE1-CD2 3.7Å; F462-L492 HydrophobicContact CZ-CD2 4.42Å; Y466-L492 HydrophobicContact CD1-CD1 4.3Å; Y466-L492 HydrophobicContact CE1-CD1 4.16Å; M488-L492 HydrophobicContact CE-CD1 4.37Å; M488-L492 HydrophobicContact CE-CD2 4.18Å; M488-L492 HydrophobicContact CE-CG 4.19Å; M488-L492 WeakPolarHBondContact O-CG 3.23Å; M488-L492 PolarHBondContact O-N 3.06Å; I489-L492 PolarHBondContact O-N 3.43Å; S490-L492 PolarHBondContact O-N 2.86Å; L492-A495 PolarHBondContact O-N 3.09Å; L492-C496 PolarHBondContact O-N 3.47Å; L492-Y500 HydrophobicContact CB-CE1 4.47Å; L492-Y500 HydrophobicContact CD2-CE1 4.44Å; L492-T501 HydrophobicContact CB-CG2 3.71Å; L492-L504 HydrophobicContact CD1-CD1 4.19Å |
| 493 | K | 93.1 | Very high | 91.8 | Very high | 85 Ų | 85 | 52.2 Ų | 52.2 | 37% | 0.37 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.9 | -40.1 | 176.2 | -179 | 178.5 | 170.9 | -176.6 | 0 | 111.4 | I489 S490 K491 G497 T501 | I489-K493 WeakPolarHBondContact O-CB 3.14Å; I489-K493 PolarHBondContact O-N 2.88Å; S490-K493 WeakPolarHBondContact O-CB 3.44Å; S490-K493 PolarHBondContact O-N 2.56Å; S490-K493 VanDerWaalsContact O-N 3.15Å; K491-K493 VanDerWaalsContact C-N 3.29Å; K491-K493 PolarHBondContact O-N 3.05Å; K493-G497 CarbonylContact O-C 3.4Å; K493-G497 WeakPolarHBondContact O-CA 3.36Å; K493-G497 PolarHBondContact O-N 2.95Å; K493-T501 HydrophobicContact CB-CG2 3.89Å; K493-T501 WeakPolarHBondContact CB-OG1 3.34Å |
| 494 | Q | 91.6 | Very high | 91.9 | Very high | 161 Ų | 161 | 46.4 Ų | 46.4 | 75% | 0.752 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -64.9 | -40.6 | 175.8 | -70.4 | 175.3 | 3.7 | 0 | 0 | 111.6 | S490 K491 | S490-Q494 WeakPolarHBondContact O-CG 3.42Å; S490-Q494 PolarHBondContact O-N 3.09Å; K491-Q494 PolarHBondContact O-N 3.37Å |
| 495 | A | 88.4 | Confident | 92 | Very high | 57 Ų | 57 | 49 Ų | 49 | 47% | 0.471 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -77.4 | -37.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | M450 F453 K491 L492 | M450-A495 HydrophobicContact CE-CB 3.85Å; F453-A495 HydrophobicContact CD1-CB 4.35Å; F453-A495 HydrophobicContact CE1-CB 4Å; K491-A495 PolarHBondContact O-N 3.05Å; L492-A495 PolarHBondContact O-N 3.09Å |
| 496 | C | 87.8 | Confident | 92 | Very high | 29 Ų | 29 | 54.1 Ų | 54.1 | 20% | 0.196 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -121.9 | -3.8 | -170.9 | -64.8 | 0 | 0 | 0 | 0 | 114.9 | F453 L492 Y500 | F453-C496 VanDerWaalsContact CE1-SG 3.55Å; F453-C496 VanDerWaalsContact CZ-SG 3.58Å; L492-C496 PolarHBondContact O-N 3.47Å; C496-Y500 HydrophobicContact CB-CD1 3.62Å; C496-Y500 HydrophobicContact CB-CD2 3.83Å; C496-Y500 HydrophobicContact CB-CE1 4.15Å; C496-Y500 HydrophobicContact CB-CE2 4.33Å; C496-Y500 HydrophobicContact CB-CG 3.43Å; C496-Y500 VanDerWaalsContact CB-CG 3.43Å |
| 497 | G | 88.6 | Confident | 92.1 | Very high | 32 Ų | 32 | 51.7 Ų | 51.7 | 33% | 0.33 | 27% | 0.267 | S | S | . | . | trans | 87.9 | 177.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | K493 T501 | K493-G497 CarbonylContact O-C 3.4Å; K493-G497 WeakPolarHBondContact O-CA 3.36Å; K493-G497 PolarHBondContact O-N 2.95Å; G497-T501 PolarHBondContact O-OG1 2.95Å | ||
| 498 | F | 88.5 | Confident | 91.8 | Very high | 124 Ų | 124 | 52.6 Ų | 52.6 | 54% | 0.544 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68 | -44.7 | -173.6 | 177.6 | -104.8 | 0 | 0 | 0 | 113.4 | Y500 T501 S502 | F498-Y500 PolarHBondContact O-N 2.8Å; F498-T501 PolarHBondContact O-N 2.68Å; F498-T501 PolarHBondContact O-OG1 3.07Å; F498-S502 PolarHBondContact O-N 3.23Å |
| 499 | E | 86.9 | Confident | 91.7 | Very high | 140 Ų | 140 | 57.6 Ų | 57.6 | 65% | 0.654 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -59.3 | -35.9 | -177.8 | -65.6 | -173.1 | 165.1 | 0 | 0 | 112.7 | T501 S502 R741 | E499-T501 VanDerWaalsContact C-N 3.31Å; E499-T501 PolarHBondContact O-N 3.13Å; E499-S502 PolarHBondContact O-OG 3.35Å; E499-R741 IonicContact OE2-NH2 3.42Å; E499-R741 PolarHBondContact OE2-NH2 2.78Å |
| 500 | Y | 88.8 | Confident | 91.7 | Very high | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.8 | -34.9 | 177.9 | -173 | -89.8 | 0 | 0 | 0 | 112.3 | K459 Q463 L492 C496 F498 | K459-Y500 HydrophobicContact CB-CE2 4.29Å; K459-Y500 PolarHBondContact O-OH 2.92Å; Q463-Y500 HydrophobicContact CB-CE1 4.19Å; Q463-Y500 HydrophobicContact CB-CE2 3.67Å; Q463-Y500 VanDerWaalsContact CB-CZ 3.47Å; Q463-Y500 VanDerWaalsContact CB-OH 3.31Å; Q463-Y500 WeakPolarHBondContact CB-OH 3.33Å; Q463-Y500 HydrophobicContact CG-CD1 4.27Å; Q463-Y500 HydrophobicContact CG-CD2 4.19Å; Q463-Y500 HydrophobicContact CG-CE1 3.84Å; Q463-Y500 HydrophobicContact CG-CE2 3.75Å; Q463-Y500 HydrophobicContact CG-CG 4.44Å; Q463-Y500 PolarHBondContact N-OH 2.95Å; Q463-Y500 PolarHBondContact NE2-O 3.47Å; L492-Y500 HydrophobicContact CB-CE1 4.47Å; L492-Y500 HydrophobicContact CD2-CE1 4.44Å; C496-Y500 HydrophobicContact CB-CD1 3.62Å; C496-Y500 HydrophobicContact CB-CD2 3.83Å; C496-Y500 HydrophobicContact CB-CE1 4.15Å; C496-Y500 HydrophobicContact CB-CE2 4.33Å; C496-Y500 HydrophobicContact CB-CG 3.43Å; C496-Y500 VanDerWaalsContact CB-CG 3.43Å; F498-Y500 PolarHBondContact O-N 2.8Å |
| 501 | T | 93.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -101.3 | -10.6 | -176.6 | 51.9 | 0 | 0 | 0 | 0 | 114.2 | I489 L492 K493 G497 F498 E499 K503 L504 Q505 | I489-T501 HydrophobicContact CG2-CG2 4.33Å; L492-T501 HydrophobicContact CB-CG2 3.71Å; K493-T501 HydrophobicContact CB-CG2 3.89Å; K493-T501 WeakPolarHBondContact CB-OG1 3.34Å; G497-T501 PolarHBondContact O-OG1 2.95Å; F498-T501 PolarHBondContact O-N 2.68Å; F498-T501 PolarHBondContact O-OG1 3.07Å; E499-T501 VanDerWaalsContact C-N 3.31Å; E499-T501 PolarHBondContact O-N 3.13Å; T501-K503 PolarHBondContact O-N 3Å; T501-L504 HydrophobicContact CG2-CD1 4.46Å; T501-L504 WeakPolarHBondContact O-CA 3.35Å; T501-L504 WeakPolarHBondContact O-CB 3.35Å; T501-L504 PolarHBondContact O-N 3.42Å; T501-Q505 PolarHBondContact O-N 3.39Å |
| 502 | S | 92 | Very high | 91.3 | Very high | 43 Ų | 43 | 55.9 Ų | 55.9 | 30% | 0.301 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -46.2 | -50.5 | -178 | 62 | 0 | 0 | 0 | 0 | 114.3 | F498 E499 Q505 R506 | F498-S502 PolarHBondContact O-N 3.23Å; E499-S502 PolarHBondContact O-OG 3.35Å; S502-Q505 PolarHBondContact O-N 3.02Å; S502-R506 WeakPolarHBondContact O-CB 3.32Å; S502-R506 PolarHBondContact O-N 2.88Å |
| 503 | K | 91.6 | Very high | 91.3 | Very high | 113 Ų | 113 | 59.7 Ų | 59.7 | 49% | 0.491 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.6 | -40.4 | 178 | -66.6 | -173.8 | 179.9 | -175.8 | 0 | 112 | T501 R506 M507 | T501-K503 PolarHBondContact O-N 3Å; K503-R506 PolarHBondContact O-N 3.48Å; K503-M507 WeakPolarHBondContact O-CG 3.06Å; K503-M507 PolarHBondContact O-N 3.31Å |
| 504 | L | 93.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.2 | -45.7 | 178.4 | -50.6 | -179.5 | 0 | 0 | 0 | 111.4 | Y466 A467 L470 I489 L492 T501 R506 M507 F508 | Y466-L504 HydrophobicContact CD1-CD1 4Å; Y466-L504 HydrophobicContact CD1-CD2 4.31Å; Y466-L504 HydrophobicContact CE1-CD1 4.15Å; A467-L504 HydrophobicContact CB-CD2 3.59Å; L470-L504 HydrophobicContact CD2-CB 4.15Å; L470-L504 HydrophobicContact CD2-CD2 4.1Å; I489-L504 HydrophobicContact CD1-CB 3.99Å; I489-L504 HydrophobicContact CG1-CB 4.2Å; I489-L504 HydrophobicContact CG1-CD1 4.41Å; I489-L504 HydrophobicContact CG2-CB 4.45Å; L492-L504 HydrophobicContact CD1-CD1 4.19Å; T501-L504 HydrophobicContact CG2-CD1 4.46Å; T501-L504 WeakPolarHBondContact O-CA 3.35Å; T501-L504 WeakPolarHBondContact O-CB 3.35Å; T501-L504 PolarHBondContact O-N 3.42Å; L504-R506 VanDerWaalsContact C-N 3.3Å; L504-R506 PolarHBondContact O-N 2.89Å; L504-M507 HydrophobicContact CB-CE 4.36Å; L504-M507 HydrophobicContact CD2-CE 3.45Å; L504-M507 VanDerWaalsContact CD2-CE 3.45Å; L504-M507 HydrophobicContact CG-CE 4.45Å; L504-M507 PolarHBondContact O-N 2.79Å; L504-F508 PolarHBondContact O-N 3.1Å |
| 505 | Q | 92.8 | Very high | 91.3 | Very high | 65 Ų | 65 | 53.2 Ų | 53.2 | 30% | 0.304 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 175.9 | -67.7 | -176.6 | -33 | 0 | 0 | 111.5 | I489 T501 S502 F508 Q509 | I489-Q505 HydrophobicContact CG2-CG 3.66Å; T501-Q505 PolarHBondContact O-N 3.39Å; S502-Q505 PolarHBondContact O-N 3.02Å; Q505-F508 WeakPolarHBondContact O-CB 3.37Å; Q505-F508 PolarHBondContact O-N 3.16Å; Q505-Q509 PolarHBondContact O-N 2.81Å |
| 506 | R | 94.4 | Very high | 91.5 | Very high | 108 Ų | 108 | 54.5 Ų | 54.5 | 41% | 0.408 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.8 | -37.7 | 176.8 | -170.3 | 63.3 | -167.7 | -158.1 | -6.3 | 112.5 | S502 K503 L504 F508 Q509 D510 S544 | S502-R506 WeakPolarHBondContact O-CB 3.32Å; S502-R506 PolarHBondContact O-N 2.88Å; K503-R506 PolarHBondContact O-N 3.48Å; L504-R506 VanDerWaalsContact C-N 3.3Å; L504-R506 PolarHBondContact O-N 2.89Å; R506-F508 VanDerWaalsContact C-N 3.31Å; R506-F508 PolarHBondContact O-N 3.25Å; R506-Q509 PolarHBondContact O-N 3.4Å; R506-D510 IonicContact CZ-OD1 2.77Å; R506-D510 IonicContact NE-OD1 3.01Å; R506-D510 PolarHBondContact NE-OD1 3.08Å; R506-D510 IonicContact NH2-OD1 2.74Å; R506-D510 WeakPolarHBondContact O-CB 3.33Å; R506-D510 VanDerWaalsContact O-CG 3.25Å; R506-D510 PolarHBondContact O-N 2.85Å; R506-S544 VanDerWaalsContact CG-OG 3.32Å; R506-S544 WeakPolarHBondContact CG-OG 3.26Å |
| 507 | M | 94.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.3 | -42.5 | 173.8 | -69 | -171.5 | -74.8 | 0 | 0 | 111.6 | A467 L470 A471 L474 K503 L504 D510 I511 W545 | A467-M507 HydrophobicContact CB-CE 4.17Å; L470-M507 HydrophobicContact CD2-CE 3.99Å; A471-M507 HydrophobicContact CB-SD 3.93Å; L474-M507 HydrophobicContact CD1-CB 3.87Å; K503-M507 WeakPolarHBondContact O-CG 3.06Å; K503-M507 PolarHBondContact O-N 3.31Å; L504-M507 HydrophobicContact CB-CE 4.36Å; L504-M507 HydrophobicContact CD2-CE 3.45Å; L504-M507 VanDerWaalsContact CD2-CE 3.45Å; L504-M507 HydrophobicContact CG-CE 4.45Å; L504-M507 PolarHBondContact O-N 2.79Å; M507-D510 PolarHBondContact O-N 3.33Å; M507-I511 WeakPolarHBondContact O-CG1 3.44Å; M507-I511 PolarHBondContact O-N 3.25Å; M507-W545 HydrophobicContact CB-CD2 4.37Å; M507-W545 HydrophobicContact CB-CH2 4.1Å; M507-W545 HydrophobicContact CB-CZ2 3.66Å; M507-W545 HydrophobicContact CG-CD2 3.69Å; M507-W545 HydrophobicContact CG-CE3 4.17Å; M507-W545 HydrophobicContact CG-CG 4.02Å; M507-W545 HydrophobicContact CG-CH2 4.4Å; M507-W545 HydrophobicContact CG-CZ2 3.93Å; M507-W545 WeakPolarHBondContact O-CZ2 3.36Å; M507-W545 HydrophobicContact SD-CD2 3.95Å; M507-W545 HydrophobicContact SD-CE3 3.91Å; M507-W545 HydrophobicContact SD-CG 4.34Å; M507-W545 HydrophobicContact SD-CZ3 4.32Å |
| 508 | F | 89.6 | Confident | 92 | Very high | 49 Ų | 49 | 52.9 Ų | 52.9 | 22% | 0.215 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61 | -46.4 | 173.7 | -97.1 | -83.2 | 0 | 0 | 0 | 112.9 | L470 L474 E485 I489 L504 Q505 R506 D510 I511 G512 | L470-F508 HydrophobicContact CD1-CE2 3.71Å; L470-F508 HydrophobicContact CD1-CZ 4.18Å; L470-F508 HydrophobicContact CD2-CD2 4.41Å; L470-F508 HydrophobicContact CD2-CE2 4.04Å; L470-F508 HydrophobicContact CG-CE2 4.41Å; L474-F508 HydrophobicContact CD1-CD2 4.28Å; L474-F508 HydrophobicContact CD1-CE2 4.27Å; L474-F508 HydrophobicContact CD2-CD1 4.4Å; L474-F508 HydrophobicContact CD2-CE1 3.88Å; L474-F508 HydrophobicContact CD2-CE2 4.17Å; L474-F508 HydrophobicContact CD2-CZ 3.71Å; E485-F508 HydrophobicContact CB-CE1 4.18Å; E485-F508 HydrophobicContact CB-CE2 3.89Å; E485-F508 HydrophobicContact CB-CZ 3.26Å; E485-F508 HydrophobicContact CG-CZ 3.99Å; I489-F508 HydrophobicContact CD1-CD2 3.35Å; I489-F508 HydrophobicContact CD1-CE2 3.36Å; L504-F508 PolarHBondContact O-N 3.1Å; Q505-F508 WeakPolarHBondContact O-CB 3.37Å; Q505-F508 PolarHBondContact O-N 3.16Å; R506-F508 VanDerWaalsContact C-N 3.31Å; R506-F508 PolarHBondContact O-N 3.25Å; F508-D510 VanDerWaalsContact C-N 3.35Å; F508-D510 PolarHBondContact O-N 3.19Å; F508-I511 PolarHBondContact O-N 3.32Å; F508-G512 PolarHBondContact O-N 2.91Å |
| 509 | Q | 92.1 | Very high | 92.2 | Very high | 104 Ų | 104 | 52.2 Ų | 52.2 | 49% | 0.486 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.7 | -43 | 178.5 | -172.2 | 179.2 | 24.3 | 0 | 0 | 111.9 | Q505 R506 I511 G512 V513 | Q505-Q509 PolarHBondContact O-N 2.81Å; R506-Q509 PolarHBondContact O-N 3.4Å; Q509-I511 VanDerWaalsContact C-N 3.28Å; Q509-I511 PolarHBondContact O-N 2.81Å; Q509-G512 PolarHBondContact O-N 3.1Å; Q509-V513 HydrophobicContact CG-CG2 4.39Å; Q509-V513 WeakPolarHBondContact O-CG2 3.42Å; Q509-V513 PolarHBondContact O-N 3.35Å |
| 510 | D | 94.3 | Very high | 92.5 | Very high | 9 Ų | 9 | 49.2 Ų | 49.2 | 5% | 0.048 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.9 | -33.6 | -179.7 | -72.4 | -10.1 | 0 | 0 | 0 | 111.9 | R506 M507 F508 S514 S541 W545 | R506-D510 IonicContact CZ-OD1 2.77Å; R506-D510 IonicContact NE-OD1 3.01Å; R506-D510 PolarHBondContact NE-OD1 3.08Å; R506-D510 IonicContact NH2-OD1 2.74Å; R506-D510 WeakPolarHBondContact O-CB 3.33Å; R506-D510 VanDerWaalsContact O-CG 3.25Å; R506-D510 PolarHBondContact O-N 2.85Å; M507-D510 PolarHBondContact O-N 3.33Å; F508-D510 VanDerWaalsContact C-N 3.35Å; F508-D510 PolarHBondContact O-N 3.19Å; D510-S514 VanDerWaalsContact O-CB 3.26Å; D510-S514 WeakPolarHBondContact O-CB 3.5Å; D510-S514 PolarHBondContact O-N 2.85Å; D510-S514 PolarHBondContact O-OG 3.39Å; D510-S541 VanDerWaalsContact OD2-CB 3.23Å; D510-S541 WeakPolarHBondContact OD2-CB 3.44Å; D510-S541 PolarHBondContact OD2-N 3Å; D510-S541 PolarHBondContact OD2-OG 2.98Å; D510-W545 HydrophobicContact CB-CZ2 4.24Å; D510-W545 PolarHBondContact OD2-NE1 3.05Å |
| 511 | I | 91.9 | Very high | 92.6 | Very high | 19 Ų | 19 | 49.2 Ų | 49.2 | 10% | 0.097 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.7 | -43.4 | 173.9 | -67.4 | -64.1 | 0 | 0 | 0 | 111.4 | L474 M507 F508 Q509 S514 K515 L540 W545 | L474-I511 HydrophobicContact CB-CD1 4.23Å; L474-I511 HydrophobicContact CB-CG1 4.03Å; L474-I511 HydrophobicContact CD1-CG1 4.32Å; L474-I511 HydrophobicContact CD2-CG1 4.44Å; M507-I511 WeakPolarHBondContact O-CG1 3.44Å; M507-I511 PolarHBondContact O-N 3.25Å; F508-I511 PolarHBondContact O-N 3.32Å; Q509-I511 VanDerWaalsContact C-N 3.28Å; Q509-I511 PolarHBondContact O-N 2.81Å; I511-S514 PolarHBondContact O-N 3.41Å; I511-K515 WeakPolarHBondContact O-CG 3.12Å; I511-K515 PolarHBondContact O-N 3.24Å; I511-K515 VanDerWaalsContact O-N 3.09Å; I511-L540 HydrophobicContact CD1-CD2 4.21Å; I511-W545 HydrophobicContact CD1-CH2 3.84Å; I511-W545 HydrophobicContact CD1-CZ2 4.2Å; I511-W545 HydrophobicContact CG1-CH2 3.98Å; I511-W545 HydrophobicContact CG1-CZ2 4.13Å |
| 512 | G | 90.3 | Very high | 92.5 | Very high | 32 Ų | 32 | 54.3 Ų | 54.3 | 33% | 0.33 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60 | -51.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F508 Q509 S514 K515 D516 | F508-G512 PolarHBondContact O-N 2.91Å; Q509-G512 PolarHBondContact O-N 3.1Å; G512-S514 PolarHBondContact O-N 3.36Å; G512-K515 WeakPolarHBondContact O-CB 3.33Å; G512-K515 PolarHBondContact O-N 2.65Å; G512-D516 PolarHBondContact O-N 3.07Å |
| 513 | V | 93.3 | Very high | 92.3 | Very high | 80 Ų | 80 | 58.8 Ų | 58.8 | 49% | 0.485 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.3 | -35.5 | 177.6 | 174.4 | 0 | 0 | 0 | 0 | 111.8 | Q509 D516 L517 | Q509-V513 HydrophobicContact CG-CG2 4.39Å; Q509-V513 WeakPolarHBondContact O-CG2 3.42Å; Q509-V513 PolarHBondContact O-N 3.35Å; V513-D516 PolarHBondContact O-N 3.27Å; V513-L517 WeakPolarHBondContact O-CB 3.48Å; V513-L517 PolarHBondContact O-N 2.97Å |
| 514 | S | 93.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.014 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.6 | -37.1 | 175.3 | -68.7 | 0 | 0 | 0 | 0 | 112.5 | D510 I511 G512 L517 N518 V539 | D510-S514 VanDerWaalsContact O-CB 3.26Å; D510-S514 WeakPolarHBondContact O-CB 3.5Å; D510-S514 PolarHBondContact O-N 2.85Å; D510-S514 PolarHBondContact O-OG 3.39Å; I511-S514 PolarHBondContact O-N 3.41Å; G512-S514 PolarHBondContact O-N 3.36Å; S514-L517 PolarHBondContact O-N 3.26Å; S514-N518 PolarHBondContact O-N 3.42Å; S514-N518 PolarHBondContact O-ND2 2.86Å; S514-V539 PolarHBondContact OG-N 3.38Å; S514-V539 PolarHBondContact OG-O 3.36Å; S514-V539 VanDerWaalsContact OG-O 3.07Å |
| 515 | K | 91.6 | Very high | 91.8 | Very high | 108 Ų | 108 | 58.4 Ų | 58.4 | 47% | 0.47 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.2 | -48.8 | 174.7 | -70.1 | 176.1 | -178.5 | 177.3 | 0 | 110.4 | I511 G512 L517 N518 E519 | I511-K515 WeakPolarHBondContact O-CG 3.12Å; I511-K515 PolarHBondContact O-N 3.24Å; I511-K515 VanDerWaalsContact O-N 3.09Å; G512-K515 WeakPolarHBondContact O-CB 3.33Å; G512-K515 PolarHBondContact O-N 2.65Å; K515-L517 VanDerWaalsContact C-N 3.29Å; K515-L517 PolarHBondContact O-N 3.38Å; K515-N518 WeakPolarHBondContact O-CB 3.16Å; K515-N518 PolarHBondContact O-N 3.03Å; K515-N518 VanDerWaalsContact O-N 3.13Å; K515-E519 PolarHBondContact O-N 2.98Å; K515-E519 VanDerWaalsContact O-N 3.09Å |
| 516 | D | 93.4 | Very high | 91.3 | Very high | 85 Ų | 85 | 59.6 Ų | 59.6 | 46% | 0.455 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.5 | -40.6 | 177.4 | -62.7 | -18.7 | 0 | 0 | 0 | 112 | G512 V513 E519 Q520 | G512-D516 PolarHBondContact O-N 3.07Å; V513-D516 PolarHBondContact O-N 3.27Å; D516-E519 PolarHBondContact O-N 2.91Å; D516-Q520 VanDerWaalsContact O-CG 3.23Å; D516-Q520 WeakPolarHBondContact O-CG 3.49Å; D516-Q520 PolarHBondContact O-N 2.92Å |
| 517 | L | 94 | Very high | 90.6 | Very high | 10 Ų | 10 | 61.3 Ų | 61.3 | 5% | 0.052 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.1 | -38.8 | 177.9 | -173.8 | 65.3 | 0 | 0 | 0 | 112.2 | V513 S514 K515 Q520 F521 V539 F566 F569 Y570 | V513-L517 WeakPolarHBondContact O-CB 3.48Å; V513-L517 PolarHBondContact O-N 2.97Å; S514-L517 PolarHBondContact O-N 3.26Å; K515-L517 VanDerWaalsContact C-N 3.29Å; K515-L517 PolarHBondContact O-N 3.38Å; L517-Q520 PolarHBondContact O-N 2.73Å; L517-F521 WeakPolarHBondContact O-CB 3.12Å; L517-F521 PolarHBondContact O-N 3.08Å; L517-V539 HydrophobicContact CD2-CB 4.06Å; L517-V539 HydrophobicContact CD2-CG2 3.56Å; L517-F566 HydrophobicContact CD2-CE2 4.46Å; L517-F566 HydrophobicContact CD2-CZ 3.93Å; L517-F566 HydrophobicContact CG-CZ 4.46Å; L517-F569 HydrophobicContact CD1-CE1 3.8Å; L517-F569 HydrophobicContact CD1-CZ 4.41Å; L517-F569 HydrophobicContact CG-CE1 4.49Å; L517-Y570 HydrophobicContact CD2-CD2 3.97Å; L517-Y570 HydrophobicContact CD2-CE2 3.91Å |
| 518 | N | 93 | Very high | 89.7 | Confident | 16 Ų | 16 | 64 Ų | 64 | 9% | 0.086 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 174 | -78.7 | -68.6 | 0 | 0 | 0 | 111.7 | S514 K515 Q520 F521 K522 S536 I537 | S514-N518 PolarHBondContact O-N 3.42Å; S514-N518 PolarHBondContact O-ND2 2.86Å; K515-N518 WeakPolarHBondContact O-CB 3.16Å; K515-N518 PolarHBondContact O-N 3.03Å; K515-N518 VanDerWaalsContact O-N 3.13Å; N518-Q520 VanDerWaalsContact C-N 3.33Å; N518-Q520 PolarHBondContact O-N 3.47Å; N518-F521 PolarHBondContact O-N 2.89Å; N518-K522 WeakPolarHBondContact O-CG 3.41Å; N518-K522 PolarHBondContact O-N 3.3Å; N518-S536 WeakPolarHBondContact OD1-CA 3.29Å; N518-S536 PolarHBondContact OD1-OG 2.94Å; N518-I537 PolarHBondContact ND2-O 2.94Å; N518-I537 PolarHBondContact OD1-N 3.22Å; N518-I537 PolarHBondContact OD1-O 3.45Å |
| 519 | E | 92.6 | Very high | 89.1 | Confident | 111 Ų | 111 | 67.5 Ų | 67.5 | 52% | 0.519 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 176.8 | -68.2 | -176.3 | -176.6 | 0 | 0 | 111.8 | K515 D516 F521 K522 K523 | K515-E519 PolarHBondContact O-N 2.98Å; K515-E519 VanDerWaalsContact O-N 3.09Å; D516-E519 PolarHBondContact O-N 2.91Å; E519-F521 VanDerWaalsContact C-N 3.32Å; E519-F521 PolarHBondContact O-N 3.48Å; E519-K522 PolarHBondContact O-N 3.19Å; E519-K523 WeakPolarHBondContact O-CG 3.4Å; E519-K523 PolarHBondContact O-N 3.1Å |
| 520 | Q | 92 | Very high | 88.3 | Confident | 77 Ų | 77 | 67.3 Ų | 67.3 | 36% | 0.36 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.1 | -38.9 | 175.1 | -70.8 | 170.3 | 34.3 | 0 | 0 | 112.1 | D516 L517 N518 H524 F569 | D516-Q520 VanDerWaalsContact O-CG 3.23Å; D516-Q520 WeakPolarHBondContact O-CG 3.49Å; D516-Q520 PolarHBondContact O-N 2.92Å; L517-Q520 PolarHBondContact O-N 2.73Å; N518-Q520 VanDerWaalsContact C-N 3.33Å; N518-Q520 PolarHBondContact O-N 3.47Å; Q520-H524 PolarHBondContact O-N 3Å; Q520-F569 HydrophobicContact CB-CZ 4.14Å |
| 521 | F | 91.9 | Very high | 87.8 | Confident | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.009 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68 | -43.1 | 176.1 | -176.4 | -120.1 | 0 | 0 | 0 | 111.7 | L517 N518 E519 K523 H524 L525 L531 F535 R565 F566 F569 | L517-F521 WeakPolarHBondContact O-CB 3.12Å; L517-F521 PolarHBondContact O-N 3.08Å; N518-F521 PolarHBondContact O-N 2.89Å; E519-F521 VanDerWaalsContact C-N 3.32Å; E519-F521 PolarHBondContact O-N 3.48Å; F521-K523 VanDerWaalsContact C-N 3.32Å; F521-K523 PolarHBondContact O-N 3.02Å; F521-H524 WeakPolarHBondContact O-CB 3.46Å; F521-H524 PolarHBondContact O-N 3.47Å; F521-L525 HydrophobicContact CD1-CD1 3.83Å; F521-L525 HydrophobicContact CD1-CG 4.42Å; F521-L525 HydrophobicContact CE1-CD1 3.44Å; F521-L525 VanDerWaalsContact CE1-CD1 3.44Å; F521-L525 HydrophobicContact CE1-CG 4.08Å; F521-L525 HydrophobicContact CE2-CD1 4.43Å; F521-L525 HydrophobicContact CE2-CD2 4.32Å; F521-L525 HydrophobicContact CE2-CG 4.18Å; F521-L525 HydrophobicContact CG-CD1 4.48Å; F521-L525 HydrophobicContact CZ-CD1 3.78Å; F521-L525 HydrophobicContact CZ-CD2 4.01Å; F521-L525 HydrophobicContact CZ-CG 3.95Å; F521-L525 WeakPolarHBondContact O-CG 3.49Å; F521-L525 PolarHBondContact O-N 3.45Å; F521-L531 HydrophobicContact CE1-CD1 4.12Å; F521-L531 HydrophobicContact CZ-CD1 4.39Å; F521-F535 HydrophobicContact CD1-CD1 4.13Å; F521-F535 HydrophobicContact CD1-CE1 4.49Å; F521-F535 AromaticContact CE1-CD1 3.61Å; F521-F535 HydrophobicContact CE1-CD1 3.61Å; F521-F535 HydrophobicContact CE1-CE1 4.01Å; F521-R565 HydrophobicContact CZ-CB 4.38Å; F521-F566 AromaticContact CD1-CD2 3.97Å; F521-F566 HydrophobicContact CD1-CD2 3.97Å; F521-F566 AromaticContact CD2-CD2 3.96Å; F521-F566 HydrophobicContact CD2-CD2 3.96Å; F521-F566 HydrophobicContact CE1-CB 4.4Å; F521-F566 HydrophobicContact CE1-CD2 4.09Å; F521-F566 HydrophobicContact CE2-CB 4.29Å; F521-F566 HydrophobicContact CE2-CD2 4.09Å; F521-F566 AromaticContact CG-CD2 3.89Å; F521-F566 HydrophobicContact CG-CD2 3.89Å; F521-F566 HydrophobicContact CG-CE2 4.34Å; F521-F566 HydrophobicContact CZ-CB 3.98Å; F521-F566 HydrophobicContact CZ-CD2 4.15Å; F521-F569 HydrophobicContact CB-CD1 4.26Å; F521-F569 HydrophobicContact CB-CE1 3.83Å; F521-F569 HydrophobicContact CB-CZ 4.07Å; F521-F569 HydrophobicContact CD2-CB 3.93Å; F521-F569 AromaticContact CD2-CD1 3.54Å; F521-F569 HydrophobicContact CD2-CD1 3.54Å; F521-F569 HydrophobicContact CD2-CD2 4.01Å; F521-F569 AromaticContact CD2-CE1 3.98Å; F521-F569 HydrophobicContact CD2-CE1 3.98Å; F521-F569 HydrophobicContact CD2-CE2 4.38Å; F521-F569 AromaticContact CD2-CG 3.55Å; F521-F569 HydrophobicContact CD2-CG 3.55Å; F521-F569 HydrophobicContact CD2-CZ 4.37Å; F521-F569 HydrophobicContact CE2-CB 3.91Å; F521-F569 HydrophobicContact CE2-CD1 4.3Å; F521-F569 HydrophobicContact CE2-CG 4.07Å; F521-F569 HydrophobicContact CG-CD1 4.26Å; F521-F569 HydrophobicContact CG-CE1 4.34Å |
| 522 | K | 89.9 | Confident | 87.3 | Confident | 106 Ų | 106 | 73.5 Ų | 73.5 | 46% | 0.461 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59 | -41.2 | 174.6 | -73 | -177.3 | 178.9 | -164.5 | 0 | 112 | N518 E519 H524 L525 S526 D534 | N518-K522 WeakPolarHBondContact O-CG 3.41Å; N518-K522 PolarHBondContact O-N 3.3Å; E519-K522 PolarHBondContact O-N 3.19Å; K522-H524 VanDerWaalsContact C-N 3.35Å; K522-L525 PolarHBondContact O-N 3.45Å; K522-S526 PolarHBondContact O-N 2.79Å; K522-S526 VanDerWaalsContact O-N 3.09Å; K522-D534 IonicContact NZ-OD1 3.68Å |
| 523 | K | 89.1 | Confident | 87.2 | Confident | 138 Ų | 138 | 74.7 Ų | 74.7 | 60% | 0.6 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -66.8 | -31.9 | 173.1 | -71.5 | 173.4 | -177.9 | 171.6 | 0 | 113.4 | E519 F521 S526 | E519-K523 WeakPolarHBondContact O-CG 3.4Å; E519-K523 PolarHBondContact O-N 3.1Å; F521-K523 VanDerWaalsContact C-N 3.32Å; F521-K523 PolarHBondContact O-N 3.02Å; K523-S526 PolarHBondContact O-OG 2.81Å |
| 524 | H | 88.1 | Confident | 86.9 | Confident | 78 Ų | 78 | 77.8 Ų | 77.8 | 36% | 0.361 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -71.2 | -39.6 | 174.2 | -179.1 | -84.9 | 0 | 0 | 0 | 111.2 | Q520 F521 K522 S526 N527 F569 | Q520-H524 PolarHBondContact O-N 3Å; F521-H524 WeakPolarHBondContact O-CB 3.46Å; F521-H524 PolarHBondContact O-N 3.47Å; K522-H524 VanDerWaalsContact C-N 3.35Å; H524-S526 VanDerWaalsContact C-N 3.35Å; H524-S526 PolarHBondContact O-N 3.37Å; H524-N527 PolarHBondContact O-N 3.41Å; H524-F569 HydrophobicContact CB-CD2 3.91Å; H524-F569 HydrophobicContact CB-CE2 3.7Å; H524-F569 AromaticContact CD2-CD2 3.87Å; H524-F569 AromaticContact CG-CD2 3.66Å; H524-F569 AromaticContact CG-CE2 3.92Å |
| 525 | L | 86.5 | Confident | 86.8 | Confident | 27 Ų | 27 | 79.3 Ų | 79.3 | 14% | 0.141 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -66.2 | -31.9 | 177 | -74 | 173.5 | 0 | 0 | 0 | 113.1 | F521 K522 N527 S528 L531 | F521-L525 HydrophobicContact CD1-CD1 3.83Å; F521-L525 HydrophobicContact CD1-CG 4.42Å; F521-L525 HydrophobicContact CE1-CD1 3.44Å; F521-L525 VanDerWaalsContact CE1-CD1 3.44Å; F521-L525 HydrophobicContact CE1-CG 4.08Å; F521-L525 HydrophobicContact CE2-CD1 4.43Å; F521-L525 HydrophobicContact CE2-CD2 4.32Å; F521-L525 HydrophobicContact CE2-CG 4.18Å; F521-L525 HydrophobicContact CG-CD1 4.48Å; F521-L525 HydrophobicContact CZ-CD1 3.78Å; F521-L525 HydrophobicContact CZ-CD2 4.01Å; F521-L525 HydrophobicContact CZ-CG 3.95Å; F521-L525 WeakPolarHBondContact O-CG 3.49Å; F521-L525 PolarHBondContact O-N 3.45Å; K522-L525 PolarHBondContact O-N 3.45Å; L525-N527 PolarHBondContact O-N 2.89Å; L525-N527 VanDerWaalsContact O-N 3.17Å; L525-S528 CarbonylContact O-C 3.56Å; L525-S528 PolarHBondContact O-N 2.85Å; L525-L531 HydrophobicContact CD1-CD1 3.66Å; L525-L531 HydrophobicContact CD1-CG 4.02Å; L525-L531 HydrophobicContact CD2-CD1 4.37Å; L525-L531 HydrophobicContact CD2-CG 4.07Å |
| 526 | S | 82 | Confident | 86.8 | Confident | 91 Ų | 91 | 78 Ų | 78 | 64% | 0.636 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -20.2 | 175.2 | 62.1 | 0 | 0 | 0 | 0 | 113.6 | K522 K523 H524 | K522-S526 PolarHBondContact O-N 2.79Å; K522-S526 VanDerWaalsContact O-N 3.09Å; K523-S526 PolarHBondContact O-OG 2.81Å; H524-S526 VanDerWaalsContact C-N 3.35Å; H524-S526 PolarHBondContact O-N 3.37Å |
| 527 | N | 78.8 | Confident | 86.7 | Confident | 143 Ų | 143 | 75 Ų | 75 | 77% | 0.765 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 7.7 | 176.7 | -60.9 | -12.1 | 0 | 0 | 0 | 112.3 | H524 L525 | H524-N527 PolarHBondContact O-N 3.41Å; L525-N527 PolarHBondContact O-N 2.89Å; L525-N527 VanDerWaalsContact O-N 3.17Å |
| 528 | S | 76.8 | Confident | 86.7 | Confident | 56 Ų | 56 | 77.1 Ų | 77.1 | 39% | 0.392 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -137.9 | 179.9 | -177.1 | -67.2 | 0 | 0 | 0 | 0 | 110 | L525 | L525-S528 CarbonylContact O-C 3.56Å; L525-S528 PolarHBondContact O-N 2.85Å |
| 529 | E | 75.4 | Confident | 86.7 | Confident | 124 Ų | 124 | 77.7 Ų | 77.7 | 58% | 0.579 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 135.6 | 170.5 | -72.9 | -177.3 | 157.9 | 0 | 0 | 111 | R561 | E529-R561 IonicContact OE2-NH2 2.83Å; E529-R561 PolarHBondContact OE2-NH2 3.09Å |
| 530 | P | 77.3 | Confident | 86.7 | Confident | 100 Ų | 100 | 74.7 Ų | 74.7 | 65% | 0.649 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 151.8 | 177.7 | 27.9 | -33.6 | 0 | 0 | 0 | 111 | ||
| 531 | L | 82.7 | Confident | 86.7 | Confident | 26 Ų | 26 | 72.6 Ų | 72.6 | 14% | 0.136 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 149.9 | 169.3 | -66.8 | 173.9 | 0 | 0 | 0 | 109.8 | F521 L525 L533 F535 R561 R565 | F521-L531 HydrophobicContact CE1-CD1 4.12Å; F521-L531 HydrophobicContact CZ-CD1 4.39Å; L525-L531 HydrophobicContact CD1-CD1 3.66Å; L525-L531 HydrophobicContact CD1-CG 4.02Å; L525-L531 HydrophobicContact CD2-CD1 4.37Å; L525-L531 HydrophobicContact CD2-CG 4.07Å; L531-L533 PolarHBondContact O-N 3.27Å; L531-F535 HydrophobicContact CD1-CB 3.75Å; L531-F535 HydrophobicContact CD1-CG 4.29Å; L531-R561 HydrophobicContact CD2-CG 4.4Å; L531-R565 HydrophobicContact CD2-CB 4.49Å; L531-R565 HydrophobicContact CD2-CG 4.33Å |
| 532 | D | 81.4 | Confident | 86.5 | Confident | 132 Ų | 132 | 78 Ų | 78 | 71% | 0.706 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -73.5 | -2.2 | 177.4 | -53.1 | -56.8 | 0 | 0 | 0 | 112.7 | R561 | D532-R561 IonicContact OD1-NH1 2.7Å; D532-R561 IonicContact OD2-CZ 2.81Å; D532-R561 IonicContact OD2-NH1 3.53Å; D532-R561 PolarHBondContact OD2-NH1 3.46Å |
| 533 | L | 87.4 | Confident | 86.2 | Confident | 56 Ų | 56 | 76 Ų | 76 | 29% | 0.293 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -144.4 | 155.2 | -177.8 | 64.7 | 92.1 | 0 | 0 | 0 | 112.3 | L531 F535 E558 L559 | L531-L533 PolarHBondContact O-N 3.27Å; L533-F535 HydrophobicContact CD1-CB 3.72Å; L533-F535 HydrophobicContact CD1-CD2 4.14Å; L533-F535 HydrophobicContact CD1-CG 4.42Å; L533-F535 PolarHBondContact O-N 3.24Å; L533-E558 WeakPolarHBondContact CD2-O 3.48Å; L533-L559 HydrophobicContact CD2-CD2 3.78Å |
| 534 | D | 88.3 | Confident | 86.2 | Confident | 145 Ų | 145 | 70.6 Ų | 70.6 | 78% | 0.775 | 42% | 0.419 | S | S | * | . | trans | -75.3 | 111.2 | 170.3 | -174.6 | 20 | 0 | 0 | 0 | 109.8 | K522 | K522-D534 IonicContact NZ-OD1 3.68Š| ||
| 535 | F | 90.6 | Very high | 86.3 | Confident | 35 Ų | 35 | 67.7 Ų | 67.7 | 15% | 0.154 | 41% | 0.405 | C | S | . | . | trans | -110.8 | 130.7 | -172.5 | -177.1 | -101.1 | 0 | 0 | 0 | 111.4 | F521 L531 L533 I537 F566 W581 | F521-F535 HydrophobicContact CD1-CD1 4.13Å; F521-F535 HydrophobicContact CD1-CE1 4.49Å; F521-F535 AromaticContact CE1-CD1 3.61Å; F521-F535 HydrophobicContact CE1-CD1 3.61Å; F521-F535 HydrophobicContact CE1-CE1 4.01Å; L531-F535 HydrophobicContact CD1-CB 3.75Å; L531-F535 HydrophobicContact CD1-CG 4.29Å; L533-F535 HydrophobicContact CD1-CB 3.72Å; L533-F535 HydrophobicContact CD1-CD2 4.14Å; L533-F535 HydrophobicContact CD1-CG 4.42Å; L533-F535 PolarHBondContact O-N 3.24Å; F535-I537 HydrophobicContact CE1-CB 3.91Å; F535-I537 HydrophobicContact CE1-CG2 3.87Å; F535-I537 HydrophobicContact CZ-CB 3.94Å; F535-I537 HydrophobicContact CZ-CD1 4.01Å; F535-I537 HydrophobicContact CZ-CG2 4.36Å; F535-F566 HydrophobicContact CE1-CB 3.85Å; F535-F566 AromaticContact CE1-CD2 4Å; F535-F566 HydrophobicContact CE1-CD2 4Å; F535-F566 AromaticContact CE1-CG 3.95Å; F535-F566 HydrophobicContact CE1-CG 3.95Å; F535-F566 HydrophobicContact CZ-CB 4.17Å; F535-F566 HydrophobicContact CZ-CG 4.38Å; F535-W581 HydrophobicContact CZ-CH2 4.21Å; F535-W581 HydrophobicContact CZ-CZ3 4.35Å | ||
| 536 | S | 91.3 | Very high | 86.3 | Confident | 79 Ų | 79 | 68.1 Ų | 68.1 | 55% | 0.552 | 41% | 0.409 | S | S | * | . | trans | -139.4 | 144.3 | 169.9 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | N518 | N518-S536 WeakPolarHBondContact OD1-CA 3.29Å; N518-S536 PolarHBondContact OD1-OG 2.94Å | ||
| 537 | I | 92.4 | Very high | 86.3 | Confident | 24 Ų | 24 | 65.5 Ų | 65.5 | 12% | 0.123 | 39% | 0.387 | C | S | . | . | trans | -137.5 | 147.1 | -175.8 | -174.8 | 152.3 | 0 | 0 | 0 | 112.2 | N518 F535 V539 F566 W581 | N518-I537 PolarHBondContact ND2-O 2.94Å; N518-I537 PolarHBondContact OD1-N 3.22Å; N518-I537 PolarHBondContact OD1-O 3.45Å; F535-I537 HydrophobicContact CE1-CB 3.91Å; F535-I537 HydrophobicContact CE1-CG2 3.87Å; F535-I537 HydrophobicContact CZ-CB 3.94Å; F535-I537 HydrophobicContact CZ-CD1 4.01Å; F535-I537 HydrophobicContact CZ-CG2 4.36Å; I537-V539 HydrophobicContact CG1-CG2 4.47Å; I537-F566 HydrophobicContact CD1-CD1 3.67Å; I537-F566 HydrophobicContact CD1-CE1 3.61Å; I537-F566 HydrophobicContact CD1-CG 4.34Å; I537-F566 HydrophobicContact CD1-CZ 4.26Å; I537-F566 HydrophobicContact CG1-CE1 4.24Å; I537-F566 HydrophobicContact CG1-CZ 4.45Å; I537-F566 HydrophobicContact CG2-CD1 4.31Å; I537-F566 HydrophobicContact CG2-CD2 3.77Å; I537-F566 HydrophobicContact CG2-CE1 3.9Å; I537-F566 HydrophobicContact CG2-CE2 3.31Å; I537-F566 HydrophobicContact CG2-CG 4.24Å; I537-F566 HydrophobicContact CG2-CZ 3.37Å; I537-W581 HydrophobicContact CD1-CE3 4.08Å; I537-W581 HydrophobicContact CD1-CH2 3.25Å; I537-W581 HydrophobicContact CD1-CZ2 4.05Å; I537-W581 HydrophobicContact CD1-CZ3 3.26Å | ||
| 538 | Q | 93.3 | Very high | 86.1 | Confident | 54 Ų | 54 | 64.5 Ų | 64.5 | 25% | 0.252 | 38% | 0.377 | S | S | . | . | trans | -112.6 | 118.7 | 173.5 | -67.5 | 177.2 | -17.3 | 0 | 0 | 109.2 | V475 L540 | V475-Q538 PolarHBondContact O-NE2 3.05Å; Q538-L540 HydrophobicContact CB-CD2 4.05Å; Q538-L540 HydrophobicContact CB-CG 4.43Å | ||
| 539 | V | 93.3 | Very high | 85.8 | Confident | 28 Ų | 28 | 69.4 Ų | 69.4 | 17% | 0.17 | 39% | 0.394 | C | S | . | . | trans | -100.7 | 110.9 | 179.1 | -179.6 | 0 | 0 | 0 | 0 | 108.7 | S514 L517 I537 F566 Y570 L579 | S514-V539 PolarHBondContact OG-N 3.38Å; S514-V539 PolarHBondContact OG-O 3.36Å; S514-V539 VanDerWaalsContact OG-O 3.07Å; L517-V539 HydrophobicContact CD2-CB 4.06Å; L517-V539 HydrophobicContact CD2-CG2 3.56Å; I537-V539 HydrophobicContact CG1-CG2 4.47Å; V539-F566 HydrophobicContact CG2-CE1 4.04Å; V539-F566 HydrophobicContact CG2-CZ 3.8Å; V539-Y570 HydrophobicContact CG1-CE2 3.83Å; V539-Y570 HydrophobicContact CG2-CD2 4.49Å; V539-Y570 HydrophobicContact CG2-CE2 4.22Å; V539-L579 HydrophobicContact CG1-CD2 4.16Å | ||
| 540 | L | 93.2 | Very high | 85.2 | Confident | 47 Ų | 47 | 64.9 Ų | 64.9 | 25% | 0.246 | 38% | 0.376 | C | S | . | . | trans | -112.8 | 143.5 | -168.9 | -50.7 | -177.3 | 0 | 0 | 0 | 110.8 | V475 I511 Q538 S542 W545 F547 | V475-L540 HydrophobicContact CG2-CD1 3.98Å; I511-L540 HydrophobicContact CD1-CD2 4.21Å; Q538-L540 HydrophobicContact CB-CD2 4.05Å; Q538-L540 HydrophobicContact CB-CG 4.43Å; L540-S542 PolarHBondContact O-N 3.36Å; L540-W545 HydrophobicContact CB-CD2 4.03Å; L540-W545 HydrophobicContact CB-CG 4.01Å; L540-W545 HydrophobicContact CD1-CD2 3.8Å; L540-W545 HydrophobicContact CD1-CE3 3.77Å; L540-W545 HydrophobicContact CD1-CG 4.42Å; L540-W545 HydrophobicContact CD1-CH2 4.13Å; L540-W545 HydrophobicContact CD1-CZ2 4.18Å; L540-W545 HydrophobicContact CD1-CZ3 3.93Å; L540-W545 HydrophobicContact CD2-CD2 4.4Å; L540-W545 HydrophobicContact CD2-CH2 3.94Å; L540-W545 HydrophobicContact CD2-CZ2 3.48Å; L540-W545 VanDerWaalsContact CD2-CZ2 3.48Å; L540-W545 HydrophobicContact CG-CD2 4.29Å; L540-W545 HydrophobicContact CG-CZ2 4.24Å; L540-F547 HydrophobicContact CD1-CD2 4.2Å; L540-F547 HydrophobicContact CD1-CE2 3.87Å | ||
| 541 | S | 91.9 | Very high | 84.7 | Confident | 33 Ų | 33 | 62.6 Ų | 62.6 | 23% | 0.231 | 36% | 0.362 | C | S | . | . | trans | -76.2 | 116.6 | 178.1 | 61.7 | 0 | 0 | 0 | 0 | 112.2 | D510 G543 S544 W545 | D510-S541 VanDerWaalsContact OD2-CB 3.23Å; D510-S541 WeakPolarHBondContact OD2-CB 3.44Å; D510-S541 PolarHBondContact OD2-N 3Å; D510-S541 PolarHBondContact OD2-OG 2.98Å; S541-G543 PolarHBondContact O-N 3.3Å; S541-S544 PolarHBondContact O-N 3.24Å; S541-S544 WeakPolarHBondContact OG-CB 3.31Å; S541-S544 PolarHBondContact OG-OG 3.36Å; S541-W545 VanDerWaalsContact O-CD1 3.22Å; S541-W545 PolarHBondContact O-N 3.24Å | ||
| 542 | S | 86.4 | Confident | 84.3 | Confident | 117 Ų | 117 | 66.2 Ų | 66.2 | 82% | 0.818 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -34.5 | -175.4 | -177.2 | 0 | 0 | 0 | 0 | 114.5 | L540 | L540-S542 PolarHBondContact O-N 3.36Š|
| 543 | G | 85.1 | Confident | 84.6 | Confident | 62 Ų | 62 | 61.2 Ų | 61.2 | 64% | 0.639 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -16.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | S541 | S541-G543 PolarHBondContact O-N 3.3Š|
| 544 | S | 88 | Confident | 84.7 | Confident | 25 Ų | 25 | 60.4 Ų | 60.4 | 18% | 0.175 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -23 | -174.4 | -46.5 | 0 | 0 | 0 | 0 | 113 | R506 S541 | R506-S544 VanDerWaalsContact CG-OG 3.32Å; R506-S544 WeakPolarHBondContact CG-OG 3.26Å; S541-S544 PolarHBondContact O-N 3.24Å; S541-S544 WeakPolarHBondContact OG-CB 3.31Å; S541-S544 PolarHBondContact OG-OG 3.36Å |
| 545 | W | 91 | Very high | 84.7 | Confident | 17 Ų | 17 | 55.1 Ų | 55.1 | 6% | 0.064 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -98.8 | 142.3 | -174.6 | -69.7 | 75.1 | 0 | 0 | 0 | 111.1 | A471 L474 V475 M507 D510 I511 L540 S541 F547 | A471-W545 HydrophobicContact CB-CE3 3.7Å; A471-W545 HydrophobicContact CB-CZ3 3.83Å; L474-W545 HydrophobicContact CB-CH2 3.96Å; L474-W545 HydrophobicContact CB-CZ3 4.36Å; L474-W545 HydrophobicContact CD1-CH2 4.04Å; V475-W545 HydrophobicContact CG2-CH2 4.33Å; V475-W545 HydrophobicContact CG2-CZ3 3.76Å; M507-W545 HydrophobicContact CB-CD2 4.37Å; M507-W545 HydrophobicContact CB-CH2 4.1Å; M507-W545 HydrophobicContact CB-CZ2 3.66Å; M507-W545 HydrophobicContact CG-CD2 3.69Å; M507-W545 HydrophobicContact CG-CE3 4.17Å; M507-W545 HydrophobicContact CG-CG 4.02Å; M507-W545 HydrophobicContact CG-CH2 4.4Å; M507-W545 HydrophobicContact CG-CZ2 3.93Å; M507-W545 WeakPolarHBondContact O-CZ2 3.36Å; M507-W545 HydrophobicContact SD-CD2 3.95Å; M507-W545 HydrophobicContact SD-CE3 3.91Å; M507-W545 HydrophobicContact SD-CG 4.34Å; M507-W545 HydrophobicContact SD-CZ3 4.32Å; D510-W545 HydrophobicContact CB-CZ2 4.24Å; D510-W545 PolarHBondContact OD2-NE1 3.05Å; I511-W545 HydrophobicContact CD1-CH2 3.84Å; I511-W545 HydrophobicContact CD1-CZ2 4.2Å; I511-W545 HydrophobicContact CG1-CH2 3.98Å; I511-W545 HydrophobicContact CG1-CZ2 4.13Å; L540-W545 HydrophobicContact CB-CD2 4.03Å; L540-W545 HydrophobicContact CB-CG 4.01Å; L540-W545 HydrophobicContact CD1-CD2 3.8Å; L540-W545 HydrophobicContact CD1-CE3 3.77Å; L540-W545 HydrophobicContact CD1-CG 4.42Å; L540-W545 HydrophobicContact CD1-CH2 4.13Å; L540-W545 HydrophobicContact CD1-CZ2 4.18Å; L540-W545 HydrophobicContact CD1-CZ3 3.93Å; L540-W545 HydrophobicContact CD2-CD2 4.4Å; L540-W545 HydrophobicContact CD2-CH2 3.94Å; L540-W545 HydrophobicContact CD2-CZ2 3.48Å; L540-W545 VanDerWaalsContact CD2-CZ2 3.48Å; L540-W545 HydrophobicContact CG-CD2 4.29Å; L540-W545 HydrophobicContact CG-CZ2 4.24Å; S541-W545 VanDerWaalsContact O-CD1 3.22Å; S541-W545 PolarHBondContact O-N 3.24Å; W545-F547 HydrophobicContact CB-CD2 4.12Å; W545-F547 HydrophobicContact CD2-CE2 4.27Å; W545-F547 AromaticContact CE3-CD2 3.99Å; W545-F547 HydrophobicContact CE3-CD2 3.99Å; W545-F547 AromaticContact CE3-CE2 3.32Å; W545-F547 HydrophobicContact CE3-CE2 3.32Å; W545-F547 AromaticContact CE3-CZ 3.98Å; W545-F547 HydrophobicContact CE3-CZ 3.98Å; W545-F547 AromaticContact CZ3-CE2 3.83Å; W545-F547 HydrophobicContact CZ3-CE2 3.83Å; W545-F547 HydrophobicContact CZ3-CZ 4.25Å; W545-F547 PolarHBondContact O-N 3.46Å |
| 546 | P | 85.1 | Confident | 84.7 | Confident | 37 Ų | 37 | 53.9 Ų | 53.9 | 24% | 0.24 | 33% | 0.326 | C | S | . | . | trans | -83.6 | 13 | -175.2 | 33 | -33 | 0 | 0 | 0 | 113.8 | K468 A471 | K468-P546 HydrophobicContact CB-CG 4.31Å; A471-P546 HydrophobicContact CB-CG 3.68Å | ||
| 547 | F | 83.3 | Confident | 84.7 | Confident | 36 Ų | 36 | 54.6 Ų | 54.6 | 16% | 0.158 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -82.6 | 136 | -176.9 | -55.9 | -46.7 | 0 | 0 | 0 | 111.3 | A471 V475 L540 W545 L582 L585 | A471-F547 HydrophobicContact CB-CE1 4.04Å; A471-F547 HydrophobicContact CB-CE2 4.3Å; A471-F547 HydrophobicContact CB-CZ 3.66Å; V475-F547 HydrophobicContact CG2-CE2 3.67Å; V475-F547 HydrophobicContact CG2-CZ 3.76Å; L540-F547 HydrophobicContact CD1-CD2 4.2Å; L540-F547 HydrophobicContact CD1-CE2 3.87Å; W545-F547 HydrophobicContact CB-CD2 4.12Å; W545-F547 HydrophobicContact CD2-CE2 4.27Å; W545-F547 AromaticContact CE3-CD2 3.99Å; W545-F547 HydrophobicContact CE3-CD2 3.99Å; W545-F547 AromaticContact CE3-CE2 3.32Å; W545-F547 HydrophobicContact CE3-CE2 3.32Å; W545-F547 AromaticContact CE3-CZ 3.98Å; W545-F547 HydrophobicContact CE3-CZ 3.98Å; W545-F547 AromaticContact CZ3-CE2 3.83Å; W545-F547 HydrophobicContact CZ3-CE2 3.83Å; W545-F547 HydrophobicContact CZ3-CZ 4.25Å; W545-F547 PolarHBondContact O-N 3.46Å; F547-L582 HydrophobicContact CB-CD1 3.67Å; F547-L582 HydrophobicContact CD2-CD1 4.18Å; F547-L582 HydrophobicContact CG-CD1 4.25Å; F547-L585 HydrophobicContact CB-CD1 4.16Å; F547-L585 HydrophobicContact CD1-CD1 3.59Å; F547-L585 HydrophobicContact CD1-CD2 4.44Å; F547-L585 HydrophobicContact CD2-CD1 3.57Å; F547-L585 HydrophobicContact CE1-CD1 3.75Å; F547-L585 HydrophobicContact CE1-CD2 4.21Å; F547-L585 HydrophobicContact CE2-CD1 3.71Å; F547-L585 HydrophobicContact CG-CD1 3.5Å; F547-L585 VanDerWaalsContact CG-CD1 3.5Å; F547-L585 HydrophobicContact CZ-CD1 3.8Å |
| 548 | Q | 74.3 | Confident | 84.5 | Confident | 121 Ų | 121 | 57.5 Ų | 57.5 | 57% | 0.565 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -95.8 | 152.4 | 174.8 | -67.5 | -179.4 | -25.3 | 0 | 0 | 109.8 | S550 | Q548-S550 PolarHBondContact O-N 3.28Š|
| 549 | Q | 69.3 | Low | 84.4 | Confident | 159 Ų | 159 | 56.5 Ų | 56.5 | 74% | 0.743 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 129.9 | 175.7 | -174.9 | 173.1 | -0.4 | 0 | 0 | 109.7 | T580 | Q549-T580 HydrophobicContact CG-CG2 3.86Š|
| 550 | S | 63.9 | Low | 84.3 | Confident | 30 Ų | 30 | 58.2 Ų | 58.2 | 21% | 0.21 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -80.4 | 167.3 | -179.9 | 46.1 | 0 | 0 | 0 | 0 | 113.5 | Q548 H584 | Q548-S550 PolarHBondContact O-N 3.28Å; S550-H584 VanDerWaalsContact CB-ND1 3.3Å; S550-H584 WeakPolarHBondContact CB-ND1 3.39Å; S550-H584 PolarHBondContact OG-ND1 3.13Å |
| 551 | C | 66.1 | Low | 84.1 | Confident | 52 Ų | 52 | 59.8 Ų | 59.8 | 35% | 0.351 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 169.7 | 175.4 | 57.4 | 0 | 0 | 0 | 0 | 114.4 | ||
| 552 | T | 74.4 | Confident | 84.1 | Confident | 102 Ų | 102 | 58.4 Ų | 58.4 | 63% | 0.626 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -52.7 | 139.4 | 164.5 | 48.5 | 0 | 0 | 0 | 0 | 110 | Q630 | T552-Q630 CarbonylContact C-O 3.53Å; T552-Q630 PolarHBondContact OG1-O 2.88Å |
| 553 | F | 88.3 | Confident | 84.3 | Confident | 27 Ų | 27 | 56 Ų | 56 | 12% | 0.118 | 31% | 0.312 | C | S | . | . | trans | -157.6 | 128.6 | 179.3 | 173.8 | -110.5 | 0 | 0 | 0 | 108.4 | L555 Y583 T605 F606 A609 I631 | F553-L555 HydrophobicContact CE1-CB 4.47Å; F553-L555 HydrophobicContact CE1-CD1 3.95Å; F553-Y583 HydrophobicContact CB-CD2 4.21Å; F553-Y583 HydrophobicContact CD1-CD1 4.24Å; F553-Y583 AromaticContact CD1-CD2 3.45Å; F553-Y583 HydrophobicContact CD1-CD2 3.45Å; F553-Y583 VanDerWaalsContact CD1-CD2 3.45Å; F553-Y583 AromaticContact CD1-CE2 3.97Å; F553-Y583 HydrophobicContact CD1-CE2 3.97Å; F553-Y583 AromaticContact CD1-CG 3.59Å; F553-Y583 HydrophobicContact CD1-CG 3.59Å; F553-Y583 HydrophobicContact CE1-CD1 4.23Å; F553-Y583 HydrophobicContact CE1-CD2 4.23Å; F553-Y583 AromaticContact CE1-CG 3.93Å; F553-Y583 HydrophobicContact CE1-CG 3.93Å; F553-Y583 HydrophobicContact CG-CD2 4.21Å; F553-T605 HydrophobicContact CE1-CG2 3.81Å; F553-T605 HydrophobicContact CZ-CG2 3.77Å; F553-F606 HydrophobicContact CB-CE1 4.46Å; F553-F606 AromaticContact CD2-CD1 3.76Å; F553-F606 HydrophobicContact CD2-CD1 3.76Å; F553-F606 AromaticContact CD2-CE1 3.68Å; F553-F606 HydrophobicContact CD2-CE1 3.68Å; F553-F606 AromaticContact CE2-CD1 3.65Å; F553-F606 HydrophobicContact CE2-CD1 3.65Å; F553-F606 HydrophobicContact CE2-CE1 4.04Å; F553-F606 HydrophobicContact CG-CD1 4.46Å; F553-F606 HydrophobicContact CG-CE1 4.02Å; F553-F606 HydrophobicContact CZ-CD1 4.26Å; F553-A609 HydrophobicContact CE2-CB 3.61Å; F553-A609 HydrophobicContact CZ-CB 3.71Å; F553-I631 HydrophobicContact CD2-CD1 4.35Å; F553-I631 HydrophobicContact CD2-CG1 3.77Å; F553-I631 HydrophobicContact CE2-CD1 4.13Å; F553-I631 HydrophobicContact CE2-CG1 4.06Å | ||
| 554 | A | 89.1 | Confident | 84.6 | Confident | 39 Ų | 39 | 58.2 Ų | 58.2 | 32% | 0.322 | 31% | 0.306 | S | S | . | . | trans | -84.9 | 115.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | S628 T629 Q630 | A554-S628 WeakPolarHBondContact CB-O 3.26Å; A554-T629 PolarHBondContact N-O 2.97Å; A554-Q630 HydrophobicContact CB-CB 4.31Å; A554-Q630 HydrophobicContact CB-CG 4.19Å | ||
| 555 | L | 89.7 | Confident | 84.7 | Confident | 33 Ų | 33 | 63 Ų | 63 | 17% | 0.173 | 32% | 0.32 | C | S | . | . | trans | -70.1 | 130.4 | 178.5 | -172.4 | 66.4 | 0 | 0 | 0 | 109.4 | F553 L559 Y563 Y583 | F553-L555 HydrophobicContact CE1-CB 4.47Å; F553-L555 HydrophobicContact CE1-CD1 3.95Å; L555-L559 HydrophobicContact CD1-CB 3.82Å; L555-L559 HydrophobicContact CD1-CD1 3.94Å; L555-L559 HydrophobicContact CD2-CB 4.17Å; L555-L559 HydrophobicContact CG-CB 3.92Å; L555-Y563 HydrophobicContact CD2-CD2 4.41Å; L555-Y563 HydrophobicContact CD2-CG 4.06Å; L555-Y583 HydrophobicContact CD1-CD1 4.13Å; L555-Y583 HydrophobicContact CD1-CE1 3.7Å | ||
| 556 | P | 90.4 | Very high | 84.8 | Confident | 9 Ų | 9 | 62.1 Ų | 62.1 | 6% | 0.058 | 32% | 0.317 | C | S | . | . | trans | -57.7 | 143.8 | 174 | -26.8 | 36.8 | 0 | 0 | 0 | 111.9 | E558 L559 E560 A609 L612 | P556-E558 WeakPolarHBondContact CB-OE2 3.34Å; P556-E558 PolarHBondContact O-N 3.28Å; P556-E558 VanDerWaalsContact O-N 3.16Å; P556-L559 PolarHBondContact O-N 3.42Å; P556-E560 PolarHBondContact O-N 3.33Å; P556-A609 HydrophobicContact CG-CB 3.74Å; P556-L612 HydrophobicContact CB-CD1 3.68Å; P556-L612 HydrophobicContact CG-CD1 4.06Å | ||
| 557 | S | 89.8 | Confident | 85.1 | Confident | 94 Ų | 94 | 62.4 Ų | 62.4 | 66% | 0.657 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -59.4 | -31.2 | -173.8 | 57.4 | 0 | 0 | 0 | 0 | 112.5 | L559 E560 | S557-L559 PolarHBondContact O-N 3.45Å; S557-E560 WeakPolarHBondContact O-CB 3.34Å; S557-E560 PolarHBondContact O-N 3.44Å |
| 558 | E | 89.6 | Confident | 85.5 | Confident | 86 Ų | 86 | 63.7 Ų | 63.7 | 40% | 0.402 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64 | -26.7 | 176.9 | -58.6 | 85.9 | 168.7 | 0 | 0 | 112.8 | L533 P556 | L533-E558 WeakPolarHBondContact CD2-O 3.48Å; P556-E558 WeakPolarHBondContact CB-OE2 3.34Å; P556-E558 PolarHBondContact O-N 3.28Å; P556-E558 VanDerWaalsContact O-N 3.16Å |
| 559 | L | 90.6 | Very high | 86.3 | Confident | 33 Ų | 33 | 58.1 Ų | 58.1 | 17% | 0.173 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -94.9 | -18.9 | -179.6 | -58.2 | -175.5 | 0 | 0 | 0 | 113 | L533 L555 P556 S557 R561 S562 Y563 T605 M608 | L533-L559 HydrophobicContact CD2-CD2 3.78Å; L555-L559 HydrophobicContact CD1-CB 3.82Å; L555-L559 HydrophobicContact CD1-CD1 3.94Å; L555-L559 HydrophobicContact CD2-CB 4.17Å; L555-L559 HydrophobicContact CG-CB 3.92Å; P556-L559 PolarHBondContact O-N 3.42Å; S557-L559 PolarHBondContact O-N 3.45Å; L559-R561 PolarHBondContact O-N 3.29Å; L559-S562 PolarHBondContact O-N 3.43Å; L559-Y563 PolarHBondContact O-N 3.2Å; L559-Y563 VanDerWaalsContact O-N 3.11Å; L559-T605 HydrophobicContact CD1-CG2 4.27Å; L559-M608 HydrophobicContact CD1-CE 4.37Å; L559-M608 HydrophobicContact CD2-CE 4.35Å |
| 560 | E | 90.2 | Very high | 87.5 | Confident | 63 Ų | 63 | 51.2 Ų | 51.2 | 29% | 0.294 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.2 | -42.4 | -173.7 | -173.3 | 60.2 | -147.7 | 0 | 0 | 112.4 | P556 S557 S562 Y563 Q564 | P556-E560 PolarHBondContact O-N 3.33Å; S557-E560 WeakPolarHBondContact O-CB 3.34Å; S557-E560 PolarHBondContact O-N 3.44Å; E560-S562 VanDerWaalsContact C-N 3.32Å; E560-S562 PolarHBondContact O-N 2.95Å; E560-Y563 WeakPolarHBondContact O-CB 3.43Å; E560-Y563 PolarHBondContact O-N 3.17Å; E560-Q564 HydrophobicContact CG-CG 4.47Å; E560-Q564 WeakPolarHBondContact O-CG 3.27Å; E560-Q564 PolarHBondContact O-N 3.13Å; E560-Q564 PolarHBondContact OE1-NE2 3.09Å |
| 561 | R | 90.6 | Very high | 88.9 | Confident | 81 Ų | 81 | 52.7 Ų | 52.7 | 31% | 0.306 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 178.6 | -170.8 | 178.7 | -174 | 179.4 | 5.1 | 111.9 | E529 L531 D532 L559 R565 | E529-R561 IonicContact OE2-NH2 2.83Å; E529-R561 PolarHBondContact OE2-NH2 3.09Å; L531-R561 HydrophobicContact CD2-CG 4.4Å; D532-R561 IonicContact OD1-NH1 2.7Å; D532-R561 IonicContact OD2-CZ 2.81Å; D532-R561 IonicContact OD2-NH1 3.53Å; D532-R561 PolarHBondContact OD2-NH1 3.46Å; L559-R561 PolarHBondContact O-N 3.29Å; R561-R565 WeakPolarHBondContact O-CB 3.24Å; R561-R565 VanDerWaalsContact O-CG 3.23Å; R561-R565 WeakPolarHBondContact O-CG 3.15Å; R561-R565 PolarHBondContact O-N 3.02Å; R561-R565 VanDerWaalsContact O-N 3.09Å |
| 562 | S | 90.6 | Very high | 90 | Very high | 3 Ų | 3 | 54.7 Ų | 54.7 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.1 | -42.2 | 179.4 | -61.3 | 0 | 0 | 0 | 0 | 111.3 | L559 E560 F566 | L559-S562 PolarHBondContact O-N 3.43Å; E560-S562 VanDerWaalsContact C-N 3.32Å; E560-S562 PolarHBondContact O-N 2.95Å; S562-F566 WeakPolarHBondContact O-CB 3.31Å; S562-F566 PolarHBondContact O-N 3.26Å |
| 563 | Y | 90.7 | Very high | 90.8 | Very high | 67 Ų | 67 | 55.2 Ų | 55.2 | 26% | 0.263 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.1 | -51.3 | 174.3 | 165.6 | -92.1 | 0 | 0 | 0 | 112.2 | L555 L559 E560 T567 W581 | L555-Y563 HydrophobicContact CD2-CD2 4.41Å; L555-Y563 HydrophobicContact CD2-CG 4.06Å; L559-Y563 PolarHBondContact O-N 3.2Å; L559-Y563 VanDerWaalsContact O-N 3.11Å; E560-Y563 WeakPolarHBondContact O-CB 3.43Å; E560-Y563 PolarHBondContact O-N 3.17Å; Y563-T567 VanDerWaalsContact O-CB 3.32Å; Y563-T567 WeakPolarHBondContact O-CB 3.37Å; Y563-T567 PolarHBondContact O-N 3.33Å; Y563-T567 PolarHBondContact O-OG1 3.32Å; Y563-W581 AromaticContact CD2-CD2 3.69Å; Y563-W581 HydrophobicContact CD2-CD2 3.69Å; Y563-W581 AromaticContact CD2-CE2 3.38Å; Y563-W581 HydrophobicContact CD2-CE3 4.07Å; Y563-W581 HydrophobicContact CD2-CG 4.21Å; Y563-W581 AromaticContact CD2-CH2 3.9Å; Y563-W581 HydrophobicContact CD2-CH2 3.9Å; Y563-W581 AromaticContact CD2-CZ2 3.52Å; Y563-W581 HydrophobicContact CD2-CZ2 3.52Å; Y563-W581 HydrophobicContact CD2-CZ3 4.16Å; Y563-W581 AromaticContact CD2-NE1 3.76Å; Y563-W581 AromaticContact CE2-CD1 3.48Å; Y563-W581 VanDerWaalsContact CE2-CD1 3.48Å; Y563-W581 AromaticContact CE2-CD2 3.74Å; Y563-W581 HydrophobicContact CE2-CD2 3.74Å; Y563-W581 AromaticContact CE2-CE2 3.35Å; Y563-W581 AromaticContact CE2-CG 3.82Å; Y563-W581 HydrophobicContact CE2-CG 3.82Å; Y563-W581 AromaticContact CE2-CZ2 3.89Å; Y563-W581 HydrophobicContact CE2-CZ2 3.89Å; Y563-W581 AromaticContact CE2-NE1 3.18Å; Y563-W581 HydrophobicContact CG-CZ2 4.39Å |
| 564 | Q | 90.9 | Very high | 90.8 | Very high | 109 Ų | 109 | 56.5 Ų | 56.5 | 51% | 0.509 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.5 | -46.2 | -177.2 | -69.3 | 177.6 | 2 | 0 | 0 | 111.7 | E560 T567 A568 | E560-Q564 HydrophobicContact CG-CG 4.47Å; E560-Q564 WeakPolarHBondContact O-CG 3.27Å; E560-Q564 PolarHBondContact O-N 3.13Å; E560-Q564 PolarHBondContact OE1-NE2 3.09Å; Q564-T567 PolarHBondContact O-N 3.3Å; Q564-A568 WeakPolarHBondContact O-CB 3.38Å; Q564-A568 PolarHBondContact O-N 3.36Å |
| 565 | R | 90.6 | Very high | 90.8 | Very high | 124 Ų | 124 | 60.2 Ų | 60.2 | 47% | 0.468 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.4 | -44.2 | -179.5 | -70.2 | -67.9 | -175.1 | 171.3 | 3.3 | 112 | F521 L531 R561 F569 | F521-R565 HydrophobicContact CZ-CB 4.38Å; L531-R565 HydrophobicContact CD2-CB 4.49Å; L531-R565 HydrophobicContact CD2-CG 4.33Å; R561-R565 WeakPolarHBondContact O-CB 3.24Å; R561-R565 VanDerWaalsContact O-CG 3.23Å; R561-R565 WeakPolarHBondContact O-CG 3.15Å; R561-R565 PolarHBondContact O-N 3.02Å; R561-R565 VanDerWaalsContact O-N 3.09Å; R565-F569 WeakPolarHBondContact O-CB 3.45Å; R565-F569 PolarHBondContact O-N 2.84Å |
| 566 | F | 92.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.6 | -41.7 | 176.9 | -176.2 | -95.9 | 0 | 0 | 0 | 111.9 | L517 F521 F535 I537 V539 S562 A568 F569 Y570 L579 W581 | L517-F566 HydrophobicContact CD2-CE2 4.46Å; L517-F566 HydrophobicContact CD2-CZ 3.93Å; L517-F566 HydrophobicContact CG-CZ 4.46Å; F521-F566 AromaticContact CD1-CD2 3.97Å; F521-F566 HydrophobicContact CD1-CD2 3.97Å; F521-F566 AromaticContact CD2-CD2 3.96Å; F521-F566 HydrophobicContact CD2-CD2 3.96Å; F521-F566 HydrophobicContact CE1-CB 4.4Å; F521-F566 HydrophobicContact CE1-CD2 4.09Å; F521-F566 HydrophobicContact CE2-CB 4.29Å; F521-F566 HydrophobicContact CE2-CD2 4.09Å; F521-F566 AromaticContact CG-CD2 3.89Å; F521-F566 HydrophobicContact CG-CD2 3.89Å; F521-F566 HydrophobicContact CG-CE2 4.34Å; F521-F566 HydrophobicContact CZ-CB 3.98Å; F521-F566 HydrophobicContact CZ-CD2 4.15Å; F535-F566 HydrophobicContact CE1-CB 3.85Å; F535-F566 AromaticContact CE1-CD2 4Å; F535-F566 HydrophobicContact CE1-CD2 4Å; F535-F566 AromaticContact CE1-CG 3.95Å; F535-F566 HydrophobicContact CE1-CG 3.95Å; F535-F566 HydrophobicContact CZ-CB 4.17Å; F535-F566 HydrophobicContact CZ-CG 4.38Å; I537-F566 HydrophobicContact CD1-CD1 3.67Å; I537-F566 HydrophobicContact CD1-CE1 3.61Å; I537-F566 HydrophobicContact CD1-CG 4.34Å; I537-F566 HydrophobicContact CD1-CZ 4.26Å; I537-F566 HydrophobicContact CG1-CE1 4.24Å; I537-F566 HydrophobicContact CG1-CZ 4.45Å; I537-F566 HydrophobicContact CG2-CD1 4.31Å; I537-F566 HydrophobicContact CG2-CD2 3.77Å; I537-F566 HydrophobicContact CG2-CE1 3.9Å; I537-F566 HydrophobicContact CG2-CE2 3.31Å; I537-F566 HydrophobicContact CG2-CG 4.24Å; I537-F566 HydrophobicContact CG2-CZ 3.37Å; V539-F566 HydrophobicContact CG2-CE1 4.04Å; V539-F566 HydrophobicContact CG2-CZ 3.8Å; S562-F566 WeakPolarHBondContact O-CB 3.31Å; S562-F566 PolarHBondContact O-N 3.26Å; F566-A568 VanDerWaalsContact C-N 3.34Å; F566-A568 PolarHBondContact O-N 3.42Å; F566-F569 HydrophobicContact CD2-CD1 4.29Å; F566-F569 HydrophobicContact CE2-CD1 4.17Å; F566-F569 HydrophobicContact CE2-CE1 4.44Å; F566-F569 PolarHBondContact O-N 2.9Å; F566-Y570 HydrophobicContact CE1-CD2 4.3Å; F566-Y570 HydrophobicContact CZ-CD2 4.16Å; F566-Y570 WeakPolarHBondContact O-CB 3.48Å; F566-Y570 PolarHBondContact O-N 3.31Å; F566-L579 HydrophobicContact CD1-CD1 4.16Å; F566-L579 HydrophobicContact CE1-CD1 3.95Å; F566-W581 HydrophobicContact CB-CH2 4.46Å; F566-W581 AromaticContact CD1-CH2 3.91Å; F566-W581 HydrophobicContact CD1-CH2 3.91Å; F566-W581 AromaticContact CD1-CZ2 3.98Å; F566-W581 HydrophobicContact CD1-CZ2 3.98Å |
| 567 | T | 92.4 | Very high | 90.8 | Very high | 43 Ų | 43 | 70.1 Ų | 70.1 | 26% | 0.264 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.7 | -43.8 | 178.8 | -60.2 | 0 | 0 | 0 | 0 | 111.5 | Y563 Q564 Y570 A571 W581 | Y563-T567 VanDerWaalsContact O-CB 3.32Å; Y563-T567 WeakPolarHBondContact O-CB 3.37Å; Y563-T567 PolarHBondContact O-N 3.33Å; Y563-T567 PolarHBondContact O-OG1 3.32Å; Q564-T567 PolarHBondContact O-N 3.3Å; T567-Y570 PolarHBondContact O-N 2.85Å; T567-A571 VanDerWaalsContact O-CB 3.31Å; T567-A571 WeakPolarHBondContact O-CB 3.47Å; T567-A571 PolarHBondContact O-N 2.85Å; T567-W581 WeakPolarHBondContact OG1-CZ2 3.41Å |
| 568 | A | 91.3 | Very high | 90.7 | Very high | 63 Ų | 63 | 74.8 Ų | 74.8 | 52% | 0.521 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.4 | -46 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q564 F566 Y570 A571 S572 | Q564-A568 WeakPolarHBondContact O-CB 3.38Å; Q564-A568 PolarHBondContact O-N 3.36Å; F566-A568 VanDerWaalsContact C-N 3.34Å; F566-A568 PolarHBondContact O-N 3.42Å; A568-Y570 VanDerWaalsContact C-N 3.34Å; A568-Y570 PolarHBondContact O-N 3.14Å; A568-A571 PolarHBondContact O-N 2.97Å; A568-S572 PolarHBondContact O-N 3.34Å |
| 569 | F | 92.4 | Very high | 90.7 | Very high | 4 Ų | 4 | 72.7 Ų | 72.7 | 2% | 0.018 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.8 | -42.3 | 175.9 | 166.8 | -96.8 | 0 | 0 | 0 | 112.6 | L517 Q520 F521 H524 R565 F566 S572 R573 | L517-F569 HydrophobicContact CD1-CE1 3.8Å; L517-F569 HydrophobicContact CD1-CZ 4.41Å; L517-F569 HydrophobicContact CG-CE1 4.49Å; Q520-F569 HydrophobicContact CB-CZ 4.14Å; F521-F569 HydrophobicContact CB-CD1 4.26Å; F521-F569 HydrophobicContact CB-CE1 3.83Å; F521-F569 HydrophobicContact CB-CZ 4.07Å; F521-F569 HydrophobicContact CD2-CB 3.93Å; F521-F569 AromaticContact CD2-CD1 3.54Å; F521-F569 HydrophobicContact CD2-CD1 3.54Å; F521-F569 HydrophobicContact CD2-CD2 4.01Å; F521-F569 AromaticContact CD2-CE1 3.98Å; F521-F569 HydrophobicContact CD2-CE1 3.98Å; F521-F569 HydrophobicContact CD2-CE2 4.38Å; F521-F569 AromaticContact CD2-CG 3.55Å; F521-F569 HydrophobicContact CD2-CG 3.55Å; F521-F569 HydrophobicContact CD2-CZ 4.37Å; F521-F569 HydrophobicContact CE2-CB 3.91Å; F521-F569 HydrophobicContact CE2-CD1 4.3Å; F521-F569 HydrophobicContact CE2-CG 4.07Å; F521-F569 HydrophobicContact CG-CD1 4.26Å; F521-F569 HydrophobicContact CG-CE1 4.34Å; H524-F569 HydrophobicContact CB-CD2 3.91Å; H524-F569 HydrophobicContact CB-CE2 3.7Å; H524-F569 AromaticContact CD2-CD2 3.87Å; H524-F569 AromaticContact CG-CD2 3.66Å; H524-F569 AromaticContact CG-CE2 3.92Å; R565-F569 WeakPolarHBondContact O-CB 3.45Å; R565-F569 PolarHBondContact O-N 2.84Å; F566-F569 HydrophobicContact CD2-CD1 4.29Å; F566-F569 HydrophobicContact CE2-CD1 4.17Å; F566-F569 HydrophobicContact CE2-CE1 4.44Å; F566-F569 PolarHBondContact O-N 2.9Å; F569-S572 PolarHBondContact O-OG 3.12Å; F569-R573 VanDerWaalsContact CE2-CZ 3.4Å; F569-R573 PolarHBondContact O-N 2.88Å |
| 570 | Y | 93.8 | Very high | 90.7 | Very high | 14 Ų | 14 | 74.9 Ų | 74.9 | 6% | 0.055 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -68.2 | -44.7 | 179.1 | -169.5 | -91.8 | 0 | 0 | 0 | 111.3 | L517 V539 F566 T567 A568 S572 R573 H574 R577 L579 | L517-Y570 HydrophobicContact CD2-CD2 3.97Å; L517-Y570 HydrophobicContact CD2-CE2 3.91Å; V539-Y570 HydrophobicContact CG1-CE2 3.83Å; V539-Y570 HydrophobicContact CG2-CD2 4.49Å; V539-Y570 HydrophobicContact CG2-CE2 4.22Å; F566-Y570 HydrophobicContact CE1-CD2 4.3Å; F566-Y570 HydrophobicContact CZ-CD2 4.16Å; F566-Y570 WeakPolarHBondContact O-CB 3.48Å; F566-Y570 PolarHBondContact O-N 3.31Å; T567-Y570 PolarHBondContact O-N 2.85Å; A568-Y570 VanDerWaalsContact C-N 3.34Å; A568-Y570 PolarHBondContact O-N 3.14Å; Y570-S572 VanDerWaalsContact C-N 3.31Å; Y570-S572 PolarHBondContact O-N 3.15Å; Y570-R573 PolarHBondContact O-N 3.35Å; Y570-H574 HydrophobicContact CD1-CB 4.32Å; Y570-H574 AromaticContact CD2-CD2 3.72Å; Y570-H574 HydrophobicContact CE1-CB 3.91Å; Y570-H574 AromaticContact CE2-CD2 3.39Å; Y570-H574 WeakPolarHBondContact CE2-CD2 3.5Å; Y570-H574 AromaticContact CZ-CD2 3.6Å; Y570-H574 PolarHBondContact O-N 3.3Å; Y570-R577 HydrophobicContact CE1-CB 3.95Å; Y570-R577 WeakPolarHBondContact OH-CD 3.44Å; Y570-L579 HydrophobicContact CD1-CD1 3.86Å; Y570-L579 HydrophobicContact CD1-CD2 3.8Å; Y570-L579 HydrophobicContact CD1-CG 3.72Å; Y570-L579 HydrophobicContact CD2-CD2 4.4Å; Y570-L579 HydrophobicContact CE1-CD2 3.7Å; Y570-L579 HydrophobicContact CE1-CG 4.04Å; Y570-L579 HydrophobicContact CE2-CD2 4.32Å; Y570-L579 HydrophobicContact CG-CD1 3.86Å; Y570-L579 HydrophobicContact CG-CD2 4.15Å; Y570-L579 HydrophobicContact CG-CG 4.19Å |
| 571 | A | 92 | Very high | 90.6 | Very high | 61 Ų | 61 | 74.1 Ų | 74.1 | 50% | 0.504 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62 | -37.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T567 A568 R573 | T567-A571 VanDerWaalsContact O-CB 3.31Å; T567-A571 WeakPolarHBondContact O-CB 3.47Å; T567-A571 PolarHBondContact O-N 2.85Å; A568-A571 PolarHBondContact O-N 2.97Å; A571-R573 VanDerWaalsContact C-N 3.29Å; A571-R573 PolarHBondContact O-N 3.3Å |
| 572 | S | 90.7 | Very high | 90.6 | Very high | 94 Ų | 94 | 72.1 Ų | 72.1 | 66% | 0.657 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -69.6 | -24.8 | 178.8 | 75 | 0 | 0 | 0 | 0 | 113.4 | A568 F569 Y570 | A568-S572 PolarHBondContact O-N 3.34Å; F569-S572 PolarHBondContact O-OG 3.12Å; Y570-S572 VanDerWaalsContact C-N 3.31Å; Y570-S572 PolarHBondContact O-N 3.15Å |
| 573 | R | 89.9 | Confident | 90.5 | Very high | 112 Ų | 112 | 73.8 Ų | 73.8 | 42% | 0.423 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -97.9 | -27.3 | 179.9 | -69.4 | -171.3 | 177.6 | -150.6 | -0.5 | 113.9 | F569 Y570 A571 | F569-R573 VanDerWaalsContact CE2-CZ 3.4Å; F569-R573 PolarHBondContact O-N 2.88Å; Y570-R573 PolarHBondContact O-N 3.35Å; A571-R573 VanDerWaalsContact C-N 3.29Å; A571-R573 PolarHBondContact O-N 3.3Å |
| 574 | H | 89.6 | Confident | 90.2 | Very high | 55 Ų | 55 | 73.1 Ų | 73.1 | 26% | 0.255 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -126.7 | 80.2 | -173.4 | -62.7 | -59.8 | 0 | 0 | 0 | 111.1 | Y570 R577 | Y570-H574 HydrophobicContact CD1-CB 4.32Å; Y570-H574 AromaticContact CD2-CD2 3.72Å; Y570-H574 HydrophobicContact CE1-CB 3.91Å; Y570-H574 AromaticContact CE2-CD2 3.39Å; Y570-H574 WeakPolarHBondContact CE2-CD2 3.5Å; Y570-H574 AromaticContact CZ-CD2 3.6Å; Y570-H574 PolarHBondContact O-N 3.3Å; H574-R577 HydrophobicContact CB-CB 4.39Å; H574-R577 HydrophobicContact CB-CG 4.31Å; H574-R577 PolarHBondContact O-N 3.15Å |
| 575 | S | 89.6 | Confident | 89.9 | Confident | 116 Ų | 116 | 69.4 Ų | 69.4 | 81% | 0.811 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 134.4 | 173 | 57.7 | 0 | 0 | 0 | 0 | 111.2 | ||
| 576 | G | 87.8 | Confident | 89.9 | Confident | 90 Ų | 90 | 65.8 Ų | 65.8 | 93% | 0.928 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | 8.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 577 | R | 91.1 | Very high | 89.8 | Confident | 160 Ų | 160 | 71.5 Ų | 71.5 | 60% | 0.604 | 40% | 0.399 | S | S | * | . | trans | -109.4 | 145.2 | 173.3 | -60.9 | -168.4 | -174.6 | 173.9 | -0.5 | 111.3 | Y570 H574 | Y570-R577 HydrophobicContact CE1-CB 3.95Å; Y570-R577 WeakPolarHBondContact OH-CD 3.44Å; H574-R577 HydrophobicContact CB-CB 4.39Å; H574-R577 HydrophobicContact CB-CG 4.31Å; H574-R577 PolarHBondContact O-N 3.15Å | ||
| 578 | K | 88 | Confident | 89.8 | Confident | 193 Ų | 193 | 70.5 Ų | 70.5 | 84% | 0.839 | 40% | 0.397 | S | S | * | . | trans | -118.3 | 129.5 | 175.5 | -175.2 | 178.4 | 179.3 | -179.2 | 0 | 110 | ||||
| 579 | L | 90.4 | Very high | 90 | Very high | 41 Ų | 41 | 72 Ų | 72 | 22% | 0.215 | 39% | 0.393 | C | S | . | . | trans | -82.2 | 136.8 | 173.3 | -66.7 | 176.2 | 0 | 0 | 0 | 110.4 | V539 F566 Y570 W581 | V539-L579 HydrophobicContact CG1-CD2 4.16Å; F566-L579 HydrophobicContact CD1-CD1 4.16Å; F566-L579 HydrophobicContact CE1-CD1 3.95Å; Y570-L579 HydrophobicContact CD1-CD1 3.86Å; Y570-L579 HydrophobicContact CD1-CD2 3.8Å; Y570-L579 HydrophobicContact CD1-CG 3.72Å; Y570-L579 HydrophobicContact CD2-CD2 4.4Å; Y570-L579 HydrophobicContact CE1-CD2 3.7Å; Y570-L579 HydrophobicContact CE1-CG 4.04Å; Y570-L579 HydrophobicContact CE2-CD2 4.32Å; Y570-L579 HydrophobicContact CG-CD1 3.86Å; Y570-L579 HydrophobicContact CG-CD2 4.15Å; Y570-L579 HydrophobicContact CG-CG 4.19Å; L579-W581 HydrophobicContact CD1-CZ2 4.31Å | ||
| 580 | T | 89.6 | Confident | 90 | Very high | 80 Ų | 80 | 73 Ų | 73 | 49% | 0.491 | 40% | 0.399 | S | S | . | . | trans | -121.4 | 121.9 | 168.7 | -56.6 | 0 | 0 | 0 | 0 | 107.3 | Q549 | Q549-T580 HydrophobicContact CG-CG2 3.86Š| ||
| 581 | W | 88.8 | Confident | 90 | Very high | 46 Ų | 46 | 75.5 Ų | 75.5 | 17% | 0.174 | 42% | 0.415 | C | S | . | . | trans | -93.1 | 130 | -171 | -68.2 | 76.3 | 0 | 0 | 0 | 110.8 | F535 I537 Y563 F566 T567 L579 Y583 | F535-W581 HydrophobicContact CZ-CH2 4.21Å; F535-W581 HydrophobicContact CZ-CZ3 4.35Å; I537-W581 HydrophobicContact CD1-CE3 4.08Å; I537-W581 HydrophobicContact CD1-CH2 3.25Å; I537-W581 HydrophobicContact CD1-CZ2 4.05Å; I537-W581 HydrophobicContact CD1-CZ3 3.26Å; Y563-W581 AromaticContact CD2-CD2 3.69Å; Y563-W581 HydrophobicContact CD2-CD2 3.69Å; Y563-W581 AromaticContact CD2-CE2 3.38Å; Y563-W581 HydrophobicContact CD2-CE3 4.07Å; Y563-W581 HydrophobicContact CD2-CG 4.21Å; Y563-W581 AromaticContact CD2-CH2 3.9Å; Y563-W581 HydrophobicContact CD2-CH2 3.9Å; Y563-W581 AromaticContact CD2-CZ2 3.52Å; Y563-W581 HydrophobicContact CD2-CZ2 3.52Å; Y563-W581 HydrophobicContact CD2-CZ3 4.16Å; Y563-W581 AromaticContact CD2-NE1 3.76Å; Y563-W581 AromaticContact CE2-CD1 3.48Å; Y563-W581 VanDerWaalsContact CE2-CD1 3.48Å; Y563-W581 AromaticContact CE2-CD2 3.74Å; Y563-W581 HydrophobicContact CE2-CD2 3.74Å; Y563-W581 AromaticContact CE2-CE2 3.35Å; Y563-W581 AromaticContact CE2-CG 3.82Å; Y563-W581 HydrophobicContact CE2-CG 3.82Å; Y563-W581 AromaticContact CE2-CZ2 3.89Å; Y563-W581 HydrophobicContact CE2-CZ2 3.89Å; Y563-W581 AromaticContact CE2-NE1 3.18Å; Y563-W581 HydrophobicContact CG-CZ2 4.39Å; F566-W581 HydrophobicContact CB-CH2 4.46Å; F566-W581 AromaticContact CD1-CH2 3.91Å; F566-W581 HydrophobicContact CD1-CH2 3.91Å; F566-W581 AromaticContact CD1-CZ2 3.98Å; F566-W581 HydrophobicContact CD1-CZ2 3.98Å; T567-W581 WeakPolarHBondContact OG1-CZ2 3.41Å; L579-W581 HydrophobicContact CD1-CZ2 4.31Å; W581-Y583 HydrophobicContact CB-CE1 3.96Å; W581-Y583 HydrophobicContact CB-CE2 3.95Å; W581-Y583 HydrophobicContact CE3-CE1 4.29Å | ||
| 582 | L | 89.8 | Confident | 90.1 | Very high | 39 Ų | 39 | 73.3 Ų | 73.3 | 20% | 0.204 | 40% | 0.395 | C | S | . | . | trans | -109.7 | 78.4 | -177.2 | -58.7 | -177.9 | 0 | 0 | 0 | 110.1 | F547 H584 L585 S586 | F547-L582 HydrophobicContact CB-CD1 3.67Å; F547-L582 HydrophobicContact CD2-CD1 4.18Å; F547-L582 HydrophobicContact CG-CD1 4.25Å; L582-H584 VanDerWaalsContact C-N 3.27Å; L582-H584 PolarHBondContact O-N 3.43Å; L582-L585 HydrophobicContact CB-CD1 4.19Å; L582-L585 HydrophobicContact CD1-CD1 3.94Å; L582-L585 PolarHBondContact O-N 3.16Å; L582-S586 PolarHBondContact O-OG 3.44Å | ||
| 583 | Y | 88.3 | Confident | 90 | Very high | 38 Ų | 38 | 74.9 Ų | 74.9 | 15% | 0.149 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -63.9 | -30.2 | -174.5 | -58.6 | -64.8 | 0 | 0 | 0 | 113.6 | F553 L555 W581 L585 S586 T605 | F553-Y583 HydrophobicContact CB-CD2 4.21Å; F553-Y583 HydrophobicContact CD1-CD1 4.24Å; F553-Y583 AromaticContact CD1-CD2 3.45Å; F553-Y583 HydrophobicContact CD1-CD2 3.45Å; F553-Y583 VanDerWaalsContact CD1-CD2 3.45Å; F553-Y583 AromaticContact CD1-CE2 3.97Å; F553-Y583 HydrophobicContact CD1-CE2 3.97Å; F553-Y583 AromaticContact CD1-CG 3.59Å; F553-Y583 HydrophobicContact CD1-CG 3.59Å; F553-Y583 HydrophobicContact CE1-CD1 4.23Å; F553-Y583 HydrophobicContact CE1-CD2 4.23Å; F553-Y583 AromaticContact CE1-CG 3.93Å; F553-Y583 HydrophobicContact CE1-CG 3.93Å; F553-Y583 HydrophobicContact CG-CD2 4.21Å; L555-Y583 HydrophobicContact CD1-CD1 4.13Å; L555-Y583 HydrophobicContact CD1-CE1 3.7Å; W581-Y583 HydrophobicContact CB-CE1 3.96Å; W581-Y583 HydrophobicContact CB-CE2 3.95Å; W581-Y583 HydrophobicContact CE3-CE1 4.29Å; Y583-L585 PolarHBondContact O-N 3.35Å; Y583-S586 WeakPolarHBondContact O-CB 3.39Å; Y583-S586 PolarHBondContact O-N 3.34Å; Y583-T605 HydrophobicContact CD1-CG2 4.46Å |
| 584 | H | 83.9 | Confident | 89.8 | Confident | 54 Ų | 54 | 72.7 Ų | 72.7 | 25% | 0.25 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -63.9 | -23.2 | 177.6 | 69.3 | -74.5 | 0 | 0 | 0 | 114.1 | S550 L582 F606 | S550-H584 VanDerWaalsContact CB-ND1 3.3Å; S550-H584 WeakPolarHBondContact CB-ND1 3.39Å; S550-H584 PolarHBondContact OG-ND1 3.13Å; L582-H584 VanDerWaalsContact C-N 3.27Å; L582-H584 PolarHBondContact O-N 3.43Å; H584-F606 HydrophobicContact CB-CE2 3.69Å; H584-F606 HydrophobicContact CB-CZ 3.74Å |
| 585 | L | 86.4 | Confident | 89.7 | Confident | 31 Ų | 31 | 71 Ų | 71 | 16% | 0.162 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -94.4 | -5.5 | 175.5 | -60.3 | 173.8 | 0 | 0 | 0 | 112.7 | F547 L582 Y583 | F547-L585 HydrophobicContact CB-CD1 4.16Å; F547-L585 HydrophobicContact CD1-CD1 3.59Å; F547-L585 HydrophobicContact CD1-CD2 4.44Å; F547-L585 HydrophobicContact CD2-CD1 3.57Å; F547-L585 HydrophobicContact CE1-CD1 3.75Å; F547-L585 HydrophobicContact CE1-CD2 4.21Å; F547-L585 HydrophobicContact CE2-CD1 3.71Å; F547-L585 HydrophobicContact CG-CD1 3.5Å; F547-L585 VanDerWaalsContact CG-CD1 3.5Å; F547-L585 HydrophobicContact CZ-CD1 3.8Å; L582-L585 HydrophobicContact CB-CD1 4.19Å; L582-L585 HydrophobicContact CD1-CD1 3.94Å; L582-L585 PolarHBondContact O-N 3.16Å; Y583-L585 PolarHBondContact O-N 3.35Å |
| 586 | S | 89.6 | Confident | 89.5 | Confident | 47 Ų | 47 | 74.8 Ų | 74.8 | 33% | 0.329 | 39% | 0.391 | S | S | . | . | trans | -86.5 | 148 | -175.5 | -60.9 | 0 | 0 | 0 | 0 | 110.7 | L582 Y583 T605 | L582-S586 PolarHBondContact O-OG 3.44Å; Y583-S586 WeakPolarHBondContact O-CB 3.39Å; Y583-S586 PolarHBondContact O-N 3.34Å; S586-T605 WeakPolarHBondContact CB-OG1 3.19Å; S586-T605 PolarHBondContact O-N 3.49Å; S586-T605 VanDerWaalsContact O-N 3.14Å; S586-T605 PolarHBondContact O-OG1 3.28Å | ||
| 587 | K | 91.3 | Very high | 89.5 | Confident | 121 Ų | 121 | 74.2 Ų | 74.2 | 53% | 0.526 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 152.9 | -179.7 | 64 | -177.4 | 178 | -178.9 | 0 | 110 | H476 A603 | H476-K587 PolarHBondContact O-NZ 2.64Å; K587-A603 CarbonylContact C-O 3.5Å; K587-A603 VanDerWaalsContact CA-O 3.31Å; K587-A603 WeakPolarHBondContact CA-O 3.43Å |
| 588 | G | 92.6 | Very high | 89.5 | Confident | 22 Ų | 22 | 74.9 Ų | 74.9 | 23% | 0.227 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 177.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A603 | G588-A603 PolarHBondContact N-O 2.74Å; G588-A603 PolarHBondContact O-N 3.29Å |
| 589 | E | 94.3 | Very high | 89.8 | Confident | 94 Ų | 94 | 65.8 Ų | 65.8 | 44% | 0.439 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 128 | 176.1 | -55.5 | -158.3 | 145.2 | 0 | 0 | 110 | T600 L601 Q602 R681 | E589-T600 HydrophobicContact CB-CG2 4.09Å; E589-L601 CarbonylContact C-O 3.59Å; E589-L601 VanDerWaalsContact CA-O 3.29Å; E589-L601 WeakPolarHBondContact CA-O 3.49Å; E589-Q602 HydrophobicContact CG-CG 4.34Å; E589-Q602 WeakPolarHBondContact OE1-CG 3.49Å; E589-Q602 PolarHBondContact OE1-NE2 2.77Å; E589-R681 IonicContact OE1-CZ 3.19Å; E589-R681 VanDerWaalsContact OE1-CZ 3.31Å; E589-R681 IonicContact OE1-NE 3.67Å; E589-R681 PolarHBondContact OE1-NE 3.47Å; E589-R681 IonicContact OE1-NH2 2.77Å; E589-R681 PolarHBondContact OE1-NH2 2.94Å; E589-R681 IonicContact OE2-NH2 3.65Å; E589-R681 PolarHBondContact OE2-NH2 3.39Å |
| 590 | L | 93.6 | Very high | 90 | Very high | 25 Ų | 25 | 65.6 Ų | 65.6 | 13% | 0.131 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 138.4 | 173.6 | -66.4 | 174.7 | 0 | 0 | 0 | 109.7 | T600 L601 M608 L611 L612 | L590-T600 CarbonylContact O-C 3.57Å; L590-T600 WeakPolarHBondContact O-CA 3.26Å; L590-L601 HydrophobicContact CB-CB 4.38Å; L590-L601 PolarHBondContact N-O 3.17Å; L590-L601 PolarHBondContact O-N 3.01Å; L590-M608 HydrophobicContact CD1-CB 4.17Å; L590-M608 HydrophobicContact CD1-CG 3.84Å; L590-M608 HydrophobicContact CD2-CE 3.84Å; L590-M608 HydrophobicContact CD2-CG 4.25Å; L590-M608 HydrophobicContact CG-CE 4.34Å; L590-M608 HydrophobicContact CG-CG 3.93Å; L590-L611 HydrophobicContact CD1-CB 3.99Å; L590-L611 HydrophobicContact CD1-CD1 3.83Å; L590-L612 HydrophobicContact CD2-CD2 4.1Å; L590-L612 HydrophobicContact CD2-CG 4.4Å |
| 591 | V | 93.5 | Very high | 90.3 | Very high | 66 Ų | 66 | 61.9 Ų | 61.9 | 40% | 0.4 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 121.8 | 173.3 | 178.3 | 0 | 0 | 0 | 0 | 108.5 | R598 | V591-R598 HydrophobicContact CG1-CG 3.76Å |
| 592 | T | 92.6 | Very high | 90.5 | Very high | 15 Ų | 15 | 62.6 Ų | 62.6 | 9% | 0.092 | 31% | 0.313 | C | S | . | . | trans | -87.4 | 126.8 | -179.2 | 56.6 | 0 | 0 | 0 | 0 | 110.6 | F595 Y599 L601 | T592-F595 HydrophobicContact CG2-CD2 4.02Å; T592-F595 HydrophobicContact CG2-CE2 3.75Å; T592-Y599 PolarHBondContact N-O 3.1Å; T592-Y599 WeakPolarHBondContact OG1-CA 3.32Å; T592-Y599 VanDerWaalsContact OG1-CB 3.32Å; T592-Y599 WeakPolarHBondContact OG1-CB 3.31Å; T592-Y599 PolarHBondContact OG1-N 2.87Å; T592-Y599 PolarHBondContact OG1-O 2.61Å; T592-L601 HydrophobicContact CG2-CD1 3.57Å; T592-L601 HydrophobicContact CG2-CG 3.86Å | ||
| 593 | N | 89.9 | Confident | 90.7 | Very high | 128 Ų | 128 | 60.8 Ų | 60.8 | 68% | 0.684 | 30% | 0.304 | S | S | * | . | trans | -113.1 | -8 | 175.7 | -63.8 | -32.3 | 0 | 0 | 0 | 112.7 | ||||
| 594 | C | 85.3 | Confident | 90.9 | Very high | 65 Ų | 65 | 59.5 Ų | 59.5 | 44% | 0.439 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -84.7 | -9.6 | -177 | 53.4 | 0 | 0 | 0 | 0 | 114.3 | L671 L673 | C594-L671 HydrophobicContact CB-CD2 4.31Å; C594-L673 HydrophobicContact CB-CD2 4.45Å |
| 595 | F | 87.7 | Confident | 91.2 | Very high | 21 Ų | 21 | 57.3 Ų | 57.3 | 9% | 0.092 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -106.2 | 162.4 | -177.6 | -53.7 | -46.6 | 0 | 0 | 0 | 112.3 | T592 N597 Y599 L648 L671 F672 Y675 | T592-F595 HydrophobicContact CG2-CD2 4.02Å; T592-F595 HydrophobicContact CG2-CE2 3.75Å; F595-N597 PolarHBondContact O-N 2.93Å; F595-Y599 HydrophobicContact CB-CD2 4.42Å; F595-Y599 HydrophobicContact CB-CE2 4.47Å; F595-Y599 HydrophobicContact CD2-CD2 4.14Å; F595-L648 HydrophobicContact CE2-CD2 3.88Å; F595-L648 HydrophobicContact CZ-CD2 4.04Å; F595-L671 HydrophobicContact CZ-CD1 4.38Å; F595-F672 WeakPolarHBondContact CE1-O 3.44Å; F595-Y675 AromaticContact CD2-CD1 3.89Å; F595-Y675 HydrophobicContact CD2-CD1 3.89Å; F595-Y675 HydrophobicContact CD2-CG 4.34Å; F595-Y675 AromaticContact CE2-CD1 3.97Å; F595-Y675 HydrophobicContact CE2-CD1 3.97Å; F595-Y675 HydrophobicContact CE2-CG 4.17Å; F595-Y675 HydrophobicContact CG-CD1 4.45Å; F595-Y675 HydrophobicContact CZ-CG 4.37Å |
| 596 | K | 85.5 | Confident | 91.5 | Very high | 194 Ų | 194 | 56.1 Ų | 56.1 | 84% | 0.843 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -55.9 | -35.7 | 178.3 | -173.7 | 176.4 | -178 | 177 | 0 | 113.2 | ||
| 597 | N | 88.1 | Confident | 91.7 | Very high | 78 Ų | 78 | 54 Ų | 54 | 42% | 0.417 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -112.2 | 146.7 | 173.1 | -64.5 | -36 | 0 | 0 | 0 | 109.3 | F595 Y599 | F595-N597 PolarHBondContact O-N 2.93Å; N597-Y599 HydrophobicContact CB-CD2 4.3Å; N597-Y599 HydrophobicContact CB-CE1 4.47Å; N597-Y599 HydrophobicContact CB-CE2 3.65Å; N597-Y599 PolarHBondContact ND2-OH 3.07Å; N597-Y599 WeakPolarHBondContact O-CD2 3.32Å; N597-Y599 WeakPolarHBondContact O-CE2 3.38Å; N597-Y599 PolarHBondContact O-N 3.13Å |
| 598 | R | 91.3 | Very high | 91.8 | Very high | 174 Ų | 174 | 48.9 Ų | 48.9 | 66% | 0.657 | 25% | 0.247 | S | C | * | . | trans | -79.3 | 110.3 | 173.4 | -177.1 | 168.7 | 167.3 | 156 | -0.9 | 109.9 | V591 | V591-R598 HydrophobicContact CG1-CG 3.76Š| ||
| 599 | Y | 93.7 | Very high | 91.8 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | trans | -103.4 | 145.3 | 175.8 | -61.1 | -83.4 | 0 | 0 | 0 | 111.4 | T592 F595 N597 Y675 N677 K679 L680 V682 | T592-Y599 PolarHBondContact N-O 3.1Å; T592-Y599 WeakPolarHBondContact OG1-CA 3.32Å; T592-Y599 VanDerWaalsContact OG1-CB 3.32Å; T592-Y599 WeakPolarHBondContact OG1-CB 3.31Å; T592-Y599 PolarHBondContact OG1-N 2.87Å; T592-Y599 PolarHBondContact OG1-O 2.61Å; F595-Y599 HydrophobicContact CB-CD2 4.42Å; F595-Y599 HydrophobicContact CB-CE2 4.47Å; F595-Y599 HydrophobicContact CD2-CD2 4.14Å; N597-Y599 HydrophobicContact CB-CD2 4.3Å; N597-Y599 HydrophobicContact CB-CE1 4.47Å; N597-Y599 HydrophobicContact CB-CE2 3.65Å; N597-Y599 PolarHBondContact ND2-OH 3.07Å; N597-Y599 WeakPolarHBondContact O-CD2 3.32Å; N597-Y599 WeakPolarHBondContact O-CE2 3.38Å; N597-Y599 PolarHBondContact O-N 3.13Å; Y599-Y675 HydrophobicContact CD1-CE1 4.28Å; Y599-Y675 AromaticContact CD2-CD1 3.71Å; Y599-Y675 HydrophobicContact CD2-CD1 3.71Å; Y599-Y675 AromaticContact CD2-CE1 3.84Å; Y599-Y675 HydrophobicContact CD2-CE1 3.84Å; Y599-Y675 HydrophobicContact CE1-CE1 4.47Å; Y599-Y675 AromaticContact CE2-CD1 3.7Å; Y599-Y675 HydrophobicContact CE2-CD1 3.7Å; Y599-Y675 HydrophobicContact CE2-CE1 4.01Å; Y599-Y675 HydrophobicContact CG-CD1 4.33Å; Y599-Y675 AromaticContact CG-CE1 3.99Å; Y599-Y675 HydrophobicContact CG-CE1 3.99Å; Y599-N677 HydrophobicContact CD1-CB 4.38Å; Y599-N677 HydrophobicContact CE1-CB 3.86Å; Y599-N677 PolarHBondContact OH-N 3.3Å; Y599-N677 VanDerWaalsContact OH-N 3.15Å; Y599-N677 PolarHBondContact OH-O 3.39Å; Y599-K679 WeakPolarHBondContact CD1-O 3.35Å; Y599-K679 WeakPolarHBondContact CE1-O 3.3Å; Y599-L680 CarbonylContact C-O 3.42Å; Y599-L680 VanDerWaalsContact CA-O 3.29Å; Y599-L680 WeakPolarHBondContact CA-O 3.42Å; Y599-L680 HydrophobicContact CD1-CD2 4.37Å; Y599-L680 HydrophobicContact CE1-CD2 4.19Å; Y599-V682 HydrophobicContact CD1-CG2 4.45Å | ||
| 600 | T | 94.6 | Very high | 91.8 | Very high | 36 Ų | 36 | 43.4 Ų | 43.4 | 22% | 0.221 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 114.3 | 168.9 | -58.1 | 0 | 0 | 0 | 0 | 109.2 | E589 L590 L680 R681 V682 | E589-T600 HydrophobicContact CB-CG2 4.09Å; L590-T600 CarbonylContact O-C 3.57Å; L590-T600 WeakPolarHBondContact O-CA 3.26Å; T600-L680 PolarHBondContact N-O 3.35Å; T600-R681 HydrophobicContact CG2-CG 4.29Å; T600-R681 CarbonylContact O-C 3.35Å; T600-R681 WeakPolarHBondContact O-CA 3.46Å; T600-V682 PolarHBondContact O-N 3.1Å |
| 601 | L | 94.9 | Very high | 91.9 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.016 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 122 | -179.7 | -54.9 | 178.9 | 0 | 0 | 0 | 110.1 | E589 L590 T592 L611 L648 V682 I684 | E589-L601 CarbonylContact C-O 3.59Å; E589-L601 VanDerWaalsContact CA-O 3.29Å; E589-L601 WeakPolarHBondContact CA-O 3.49Å; L590-L601 HydrophobicContact CB-CB 4.38Å; L590-L601 PolarHBondContact N-O 3.17Å; L590-L601 PolarHBondContact O-N 3.01Å; T592-L601 HydrophobicContact CG2-CD1 3.57Å; T592-L601 HydrophobicContact CG2-CG 3.86Å; L601-L611 HydrophobicContact CD1-CD1 4.2Å; L601-L648 HydrophobicContact CD1-CD1 3.77Å; L601-L648 HydrophobicContact CD1-CD2 4.02Å; L601-L648 HydrophobicContact CD2-CD1 4.4Å; L601-L648 HydrophobicContact CD2-CD2 4.42Å; L601-V682 CarbonylContact C-O 3.58Å; L601-V682 WeakPolarHBondContact CA-O 3.47Å; L601-V682 HydrophobicContact CD2-CB 4.05Å; L601-I684 HydrophobicContact CB-CD1 4.21Å; L601-I684 HydrophobicContact CB-CG1 4.47Å; L601-I684 HydrophobicContact CD1-CD1 4.33Å |
| 602 | Q | 93.8 | Very high | 91.9 | Very high | 61 Ų | 61 | 41.2 Ų | 41.2 | 29% | 0.285 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 114.2 | 168.6 | -52.3 | -174.5 | -51.6 | 0 | 0 | 108.4 | E589 R681 V682 N683 I684 N685 | E589-Q602 HydrophobicContact CG-CG 4.34Å; E589-Q602 WeakPolarHBondContact OE1-CG 3.49Å; E589-Q602 PolarHBondContact OE1-NE2 2.77Å; Q602-R681 HydrophobicContact CG-CG 4.48Å; Q602-V682 PolarHBondContact N-O 3.45Å; Q602-N683 HydrophobicContact CB-CB 4.34Å; Q602-N683 PolarHBondContact O-OD1 2.94Å; Q602-I684 WeakPolarHBondContact O-CG1 3.44Å; Q602-I684 PolarHBondContact O-N 3.36Å; Q602-N685 PolarHBondContact O-N 3.3Å; Q602-N685 VanDerWaalsContact O-N 3.08Å |
| 603 | A | 93.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 152 | -167.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | K587 G588 Q607 M608 I684 | K587-A603 CarbonylContact C-O 3.5Å; K587-A603 VanDerWaalsContact CA-O 3.31Å; K587-A603 WeakPolarHBondContact CA-O 3.43Å; G588-A603 PolarHBondContact N-O 2.74Å; G588-A603 PolarHBondContact O-N 3.29Å; A603-Q607 HydrophobicContact CB-CB 3.93Å; A603-M608 HydrophobicContact CB-CG 3.8Å; A603-I684 HydrophobicContact CB-CD1 3.89Å; A603-I684 HydrophobicContact CB-CG1 3.94Å |
| 604 | S | 92.4 | Very high | 92.1 | Very high | 11 Ų | 11 | 37.2 Ų | 37.2 | 8% | 0.077 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 158.1 | 164.5 | 71.7 | 0 | 0 | 0 | 0 | 110.2 | F606 Q607 M608 | S604-F606 PolarHBondContact O-N 2.72Å; S604-Q607 WeakPolarHBondContact O-CB 3.37Å; S604-Q607 PolarHBondContact O-N 3.45Å; S604-Q607 WeakPolarHBondContact OG-CG 3.43Å; S604-Q607 PolarHBondContact OG-N 3.01Å; S604-M608 WeakPolarHBondContact O-CG 3.35Å; S604-M608 PolarHBondContact O-N 3.49Å |
| 605 | T | 91.5 | Very high | 92.4 | Very high | 8 Ų | 8 | 39.8 Ų | 39.8 | 5% | 0.049 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.6 | -30.9 | 178.5 | -58.8 | 0 | 0 | 0 | 0 | 112.7 | F553 L559 Y583 S586 M608 A609 | F553-T605 HydrophobicContact CE1-CG2 3.81Å; F553-T605 HydrophobicContact CZ-CG2 3.77Å; L559-T605 HydrophobicContact CD1-CG2 4.27Å; Y583-T605 HydrophobicContact CD1-CG2 4.46Å; S586-T605 WeakPolarHBondContact CB-OG1 3.19Å; S586-T605 PolarHBondContact O-N 3.49Å; S586-T605 VanDerWaalsContact O-N 3.14Å; S586-T605 PolarHBondContact O-OG1 3.28Å; T605-M608 PolarHBondContact O-N 3.37Å; T605-A609 PolarHBondContact O-N 3.45Å |
| 606 | F | 91.6 | Very high | 92.6 | Very high | 6 Ų | 6 | 44.3 Ų | 44.3 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.8 | -41.5 | 173.3 | -64.5 | -21.6 | 0 | 0 | 0 | 112.7 | F553 H584 S604 M608 A609 I610 I631 I635 V639 | F553-F606 HydrophobicContact CB-CE1 4.46Å; F553-F606 AromaticContact CD2-CD1 3.76Å; F553-F606 HydrophobicContact CD2-CD1 3.76Å; F553-F606 AromaticContact CD2-CE1 3.68Å; F553-F606 HydrophobicContact CD2-CE1 3.68Å; F553-F606 AromaticContact CE2-CD1 3.65Å; F553-F606 HydrophobicContact CE2-CD1 3.65Å; F553-F606 HydrophobicContact CE2-CE1 4.04Å; F553-F606 HydrophobicContact CG-CD1 4.46Å; F553-F606 HydrophobicContact CG-CE1 4.02Å; F553-F606 HydrophobicContact CZ-CD1 4.26Å; H584-F606 HydrophobicContact CB-CE2 3.69Å; H584-F606 HydrophobicContact CB-CZ 3.74Å; S604-F606 PolarHBondContact O-N 2.72Å; F606-M608 VanDerWaalsContact C-N 3.3Å; F606-M608 PolarHBondContact O-N 2.91Å; F606-A609 PolarHBondContact O-N 3.27Å; F606-I610 WeakPolarHBondContact O-CG1 3.49Å; F606-I610 PolarHBondContact O-N 3.19Å; F606-I631 HydrophobicContact CB-CD1 3.97Å; F606-I631 HydrophobicContact CD1-CD1 4.08Å; F606-I631 HydrophobicContact CD1-CG1 4.22Å; F606-I631 HydrophobicContact CG-CD1 4.17Å; F606-I635 HydrophobicContact CD2-CG2 3.79Å; F606-I635 HydrophobicContact CE2-CG2 3.95Å; F606-V639 HydrophobicContact CB-CG2 4.18Å |
| 607 | Q | 93.4 | Very high | 92.9 | Very high | 3 Ų | 3 | 40 Ų | 40 | 1% | 0.014 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.9 | -40.4 | 172.9 | -72.5 | 167.9 | -17.7 | 0 | 0 | 111 | A603 S604 I610 L611 V639 L643 I684 | A603-Q607 HydrophobicContact CB-CB 3.93Å; S604-Q607 WeakPolarHBondContact O-CB 3.37Å; S604-Q607 PolarHBondContact O-N 3.45Å; S604-Q607 WeakPolarHBondContact OG-CG 3.43Å; S604-Q607 PolarHBondContact OG-N 3.01Å; Q607-I610 PolarHBondContact O-N 3.23Å; Q607-L611 WeakPolarHBondContact O-CB 3.31Å; Q607-L611 VanDerWaalsContact O-CG 3.3Å; Q607-L611 WeakPolarHBondContact O-CG 3.45Å; Q607-L611 PolarHBondContact O-N 2.97Å; Q607-V639 HydrophobicContact CB-CG1 4.32Å; Q607-V639 HydrophobicContact CG-CG1 3.53Å; Q607-L643 HydrophobicContact CG-CD2 4.42Å; Q607-I684 PolarHBondContact NE2-O 2.95Å; Q607-I684 PolarHBondContact OE1-O 3.44Å |
| 608 | M | 93.6 | Very high | 93 | Very high | 13 Ų | 13 | 41 Ų | 41 | 6% | 0.064 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.3 | -45.7 | 176.7 | -64.9 | 172.9 | 65.6 | 0 | 0 | 111.9 | L559 L590 A603 S604 T605 F606 I610 L611 L612 | L559-M608 HydrophobicContact CD1-CE 4.37Å; L559-M608 HydrophobicContact CD2-CE 4.35Å; L590-M608 HydrophobicContact CD1-CB 4.17Å; L590-M608 HydrophobicContact CD1-CG 3.84Å; L590-M608 HydrophobicContact CD2-CE 3.84Å; L590-M608 HydrophobicContact CD2-CG 4.25Å; L590-M608 HydrophobicContact CG-CE 4.34Å; L590-M608 HydrophobicContact CG-CG 3.93Å; A603-M608 HydrophobicContact CB-CG 3.8Å; S604-M608 WeakPolarHBondContact O-CG 3.35Å; S604-M608 PolarHBondContact O-N 3.49Å; T605-M608 PolarHBondContact O-N 3.37Å; F606-M608 VanDerWaalsContact C-N 3.3Å; F606-M608 PolarHBondContact O-N 2.91Å; M608-I610 VanDerWaalsContact C-N 3.26Å; M608-I610 PolarHBondContact O-N 3.13Å; M608-L611 PolarHBondContact O-N 3.08Å; M608-L612 HydrophobicContact CB-CD1 4.43Å; M608-L612 WeakPolarHBondContact O-CB 3.46Å; M608-L612 WeakPolarHBondContact O-CG 3.29Å; M608-L612 PolarHBondContact O-N 2.76Å |
| 609 | A | 93.6 | Very high | 93.1 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59 | -37.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | F553 P556 T605 F606 Q613 T629 | F553-A609 HydrophobicContact CE2-CB 3.61Å; F553-A609 HydrophobicContact CZ-CB 3.71Å; P556-A609 HydrophobicContact CG-CB 3.74Å; T605-A609 PolarHBondContact O-N 3.45Å; F606-A609 PolarHBondContact O-N 3.27Å; A609-Q613 WeakPolarHBondContact O-CG 3.37Å; A609-Q613 PolarHBondContact O-NE2 3.04Å; A609-T629 HydrophobicContact CB-CG2 4.12Å |
| 610 | I | 94.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -72.1 | -49.7 | 175.6 | -62.6 | 170.1 | 0 | 0 | 0 | 110.6 | F606 Q607 M608 L612 Q613 Y614 L625 T629 I631 L636 V639 L640 L643 L649 | F606-I610 WeakPolarHBondContact O-CG1 3.49Å; F606-I610 PolarHBondContact O-N 3.19Å; Q607-I610 PolarHBondContact O-N 3.23Å; M608-I610 VanDerWaalsContact C-N 3.26Å; M608-I610 PolarHBondContact O-N 3.13Å; I610-L612 VanDerWaalsContact C-N 3.29Å; I610-L612 PolarHBondContact O-N 2.98Å; I610-Q613 WeakPolarHBondContact O-CB 3.41Å; I610-Q613 PolarHBondContact O-N 2.98Å; I610-Y614 HydrophobicContact CG2-CE2 4.19Å; I610-Y614 WeakPolarHBondContact O-CD2 2.89Å; I610-L625 HydrophobicContact CG2-CD1 4.33Å; I610-L625 HydrophobicContact CG2-CD2 4.38Å; I610-T629 HydrophobicContact CG1-CG2 4.33Å; I610-I631 HydrophobicContact CG1-CD1 4.45Å; I610-L636 HydrophobicContact CD1-CD1 3.49Å; I610-L636 VanDerWaalsContact CD1-CD1 3.49Å; I610-L636 HydrophobicContact CG1-CD1 3.96Å; I610-V639 HydrophobicContact CD1-CB 3.95Å; I610-V639 HydrophobicContact CD1-CG1 3.43Å; I610-V639 VanDerWaalsContact CD1-CG1 3.43Å; I610-L640 HydrophobicContact CD1-CD2 4.27Å; I610-L640 HydrophobicContact CG2-CD2 4.14Å; I610-L643 HydrophobicContact CB-CD1 4.3Å; I610-L643 HydrophobicContact CD1-CD1 4.42Å; I610-L643 HydrophobicContact CG2-CD1 3.96Å; I610-L649 HydrophobicContact CG2-CD1 4.35Å |
| 611 | L | 94.4 | Very high | 93.1 | Very high | 21 Ų | 21 | 35.8 Ų | 35.8 | 11% | 0.11 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.2 | -33.3 | -176.1 | -71.5 | 173.3 | 0 | 0 | 0 | 112.6 | L590 L601 Q607 M608 Q613 Y614 L643 I684 | L590-L611 HydrophobicContact CD1-CB 3.99Å; L590-L611 HydrophobicContact CD1-CD1 3.83Å; L601-L611 HydrophobicContact CD1-CD1 4.2Å; Q607-L611 WeakPolarHBondContact O-CB 3.31Å; Q607-L611 VanDerWaalsContact O-CG 3.3Å; Q607-L611 WeakPolarHBondContact O-CG 3.45Å; Q607-L611 PolarHBondContact O-N 2.97Å; M608-L611 PolarHBondContact O-N 3.08Å; L611-Q613 VanDerWaalsContact C-N 3.3Å; L611-Q613 PolarHBondContact O-N 2.89Å; L611-Y614 PolarHBondContact O-N 3.01Å; L611-L643 HydrophobicContact CD1-CD2 4.12Å; L611-L643 HydrophobicContact CD2-CD1 4.27Å; L611-L643 HydrophobicContact CD2-CD2 4.25Å; L611-L643 HydrophobicContact CG-CD1 4.3Å; L611-L643 HydrophobicContact CG-CD2 4.3Å; L611-I684 HydrophobicContact CD1-CD1 3.93Å |
| 612 | L | 93.5 | Very high | 93 | Very high | 23 Ų | 23 | 35.8 Ų | 35.8 | 12% | 0.12 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.5 | -23.9 | 178 | -70.9 | 167.6 | 0 | 0 | 0 | 113 | P556 L590 M608 I610 Y614 N615 | P556-L612 HydrophobicContact CB-CD1 3.68Å; P556-L612 HydrophobicContact CG-CD1 4.06Å; L590-L612 HydrophobicContact CD2-CD2 4.1Å; L590-L612 HydrophobicContact CD2-CG 4.4Å; M608-L612 HydrophobicContact CB-CD1 4.43Å; M608-L612 WeakPolarHBondContact O-CB 3.46Å; M608-L612 WeakPolarHBondContact O-CG 3.29Å; M608-L612 PolarHBondContact O-N 2.76Å; I610-L612 VanDerWaalsContact C-N 3.29Å; I610-L612 PolarHBondContact O-N 2.98Å; L612-Y614 PolarHBondContact O-N 3.46Å; L612-N615 WeakPolarHBondContact CD2-ND2 3.34Å; L612-N615 WeakPolarHBondContact O-CB 3.3Å; L612-N615 PolarHBondContact O-N 3.35Å; L612-N615 PolarHBondContact O-ND2 3.39Å |
| 613 | Q | 93.1 | Very high | 92.9 | Very high | 48 Ų | 48 | 36.7 Ų | 36.7 | 22% | 0.224 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.6 | -36.5 | 173.3 | -60.1 | -52.9 | -53.7 | 0 | 0 | 111.1 | A609 I610 L611 N615 T616 Y620 L625 | A609-Q613 WeakPolarHBondContact O-CG 3.37Å; A609-Q613 PolarHBondContact O-NE2 3.04Å; I610-Q613 WeakPolarHBondContact O-CB 3.41Å; I610-Q613 PolarHBondContact O-N 2.98Å; L611-Q613 VanDerWaalsContact C-N 3.3Å; L611-Q613 PolarHBondContact O-N 2.89Å; Q613-N615 PolarHBondContact O-N 3.39Å; Q613-T616 PolarHBondContact O-N 3.14Å; Q613-Y620 HydrophobicContact CB-CD2 4.26Å; Q613-Y620 HydrophobicContact CB-CE2 3.78Å; Q613-Y620 PolarHBondContact O-OH 3.21Å; Q613-L625 HydrophobicContact CB-CD2 4.3Å; Q613-L625 HydrophobicContact CG-CD2 4.12Å |
| 614 | Y | 93.8 | Very high | 92.9 | Very high | 11 Ų | 11 | 41 Ų | 41 | 4% | 0.043 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 1.4 | -178.8 | -65.4 | -89 | 0 | 0 | 0 | 114.8 | I610 L611 L612 E617 D618 Y620 L649 I669 L671 | I610-Y614 HydrophobicContact CG2-CE2 4.19Å; I610-Y614 WeakPolarHBondContact O-CD2 2.89Å; L611-Y614 PolarHBondContact O-N 3.01Å; L612-Y614 PolarHBondContact O-N 3.46Å; Y614-E617 VanDerWaalsContact CA-O 3.27Å; Y614-E617 WeakPolarHBondContact CA-O 3.23Å; Y614-E617 WeakPolarHBondContact CD1-O 3.43Å; Y614-D618 WeakPolarHBondContact CE1-O 3.33Å; Y614-Y620 HydrophobicContact CD1-CD2 4.05Å; Y614-Y620 HydrophobicContact CD1-CE2 4.23Å; Y614-Y620 AromaticContact CE1-CD2 3.82Å; Y614-Y620 HydrophobicContact CE1-CD2 3.82Å; Y614-Y620 HydrophobicContact CE1-CE2 4.46Å; Y614-Y620 HydrophobicContact CE2-CD2 4.34Å; Y614-Y620 HydrophobicContact CG-CD2 4.45Å; Y614-Y620 HydrophobicContact CG-CE2 4.41Å; Y614-Y620 AromaticContact CZ-CD2 3.97Å; Y614-L649 HydrophobicContact CD2-CD2 4.14Å; Y614-L649 HydrophobicContact CE1-CD2 4.16Å; Y614-L649 HydrophobicContact CE2-CD1 4.23Å; Y614-L649 HydrophobicContact CE2-CD2 3.64Å; Y614-I669 WeakPolarHBondContact OH-CG2 3.4Å; Y614-I669 PolarHBondContact OH-O 3.01Å; Y614-L671 HydrophobicContact CD1-CB 3.78Å; Y614-L671 HydrophobicContact CE1-CB 4.29Å; Y614-L671 HydrophobicContact CG-CB 4.37Å |
| 615 | N | 92.3 | Very high | 92.9 | Very high | 119 Ų | 119 | 40.5 Ų | 40.5 | 64% | 0.636 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -17.5 | 166.1 | -68.2 | -31.3 | 0 | 0 | 0 | 112.3 | L612 Q613 | L612-N615 WeakPolarHBondContact CD2-ND2 3.34Å; L612-N615 WeakPolarHBondContact O-CB 3.3Å; L612-N615 PolarHBondContact O-N 3.35Å; L612-N615 PolarHBondContact O-ND2 3.39Å; Q613-N615 PolarHBondContact O-N 3.39Å |
| 616 | T | 91.8 | Very high | 92.9 | Very high | 116 Ų | 116 | 41.1 Ų | 41.1 | 71% | 0.712 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | -48.3 | -178.2 | -49.2 | 0 | 0 | 0 | 0 | 112.1 | Q613 | Q613-T616 PolarHBondContact O-N 3.14Š|
| 617 | E | 92 | Very high | 92.9 | Very high | 104 Ų | 104 | 45 Ų | 45 | 49% | 0.486 | 24% | 0.238 | S | C | . | . | trans | -135.4 | 150.6 | 176.7 | -54.7 | -175.9 | -179.5 | 0 | 0 | 111.8 | Y614 S619 Y620 | Y614-E617 VanDerWaalsContact CA-O 3.27Å; Y614-E617 WeakPolarHBondContact CA-O 3.23Å; Y614-E617 WeakPolarHBondContact CD1-O 3.43Å; E617-S619 VanDerWaalsContact C-N 3.32Å; E617-S619 PolarHBondContact O-N 3.17Å; E617-Y620 HydrophobicContact CB-CE1 4.26Å; E617-Y620 HydrophobicContact CB-CE2 4.06Å; E617-Y620 WeakPolarHBondContact CB-OH 3.4Å; E617-Y620 PolarHBondContact N-OH 3.25Å; E617-Y620 VanDerWaalsContact O-CE2 3.26Å; E617-Y620 WeakPolarHBondContact O-CE2 3.34Å | ||
| 618 | D | 90.6 | Very high | 92.8 | Very high | 99 Ų | 99 | 46.9 Ų | 46.9 | 53% | 0.529 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -83 | -5.2 | -177.1 | -72.2 | -30 | 0 | 0 | 0 | 114.1 | Y614 K670 L671 | Y614-D618 WeakPolarHBondContact CE1-O 3.33Å; D618-K670 CarbonylContact O-C 3.49Å; D618-K670 WeakPolarHBondContact O-CA 3.47Å; D618-L671 PolarHBondContact O-N 3.31Å |
| 619 | S | 93.1 | Very high | 92.7 | Very high | 51 Ų | 51 | 46.4 Ų | 46.4 | 36% | 0.357 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 132.9 | -174.7 | 63.7 | 0 | 0 | 0 | 0 | 112.9 | E617 I669 | E617-S619 VanDerWaalsContact C-N 3.32Å; E617-S619 PolarHBondContact O-N 3.17Å; S619-I669 WeakPolarHBondContact CA-O 3.46Å |
| 620 | Y | 94.4 | Very high | 92.6 | Very high | 22 Ų | 22 | 50.8 Ų | 50.8 | 9% | 0.086 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 150.1 | 177 | -68.8 | -78.7 | 0 | 0 | 0 | 111.6 | Q613 Y614 E617 Q624 L625 I669 | Q613-Y620 HydrophobicContact CB-CD2 4.26Å; Q613-Y620 HydrophobicContact CB-CE2 3.78Å; Q613-Y620 PolarHBondContact O-OH 3.21Å; Y614-Y620 HydrophobicContact CD1-CD2 4.05Å; Y614-Y620 HydrophobicContact CD1-CE2 4.23Å; Y614-Y620 AromaticContact CE1-CD2 3.82Å; Y614-Y620 HydrophobicContact CE1-CD2 3.82Å; Y614-Y620 HydrophobicContact CE1-CE2 4.46Å; Y614-Y620 HydrophobicContact CE2-CD2 4.34Å; Y614-Y620 HydrophobicContact CG-CD2 4.45Å; Y614-Y620 HydrophobicContact CG-CE2 4.41Å; Y614-Y620 AromaticContact CZ-CD2 3.97Å; E617-Y620 HydrophobicContact CB-CE1 4.26Å; E617-Y620 HydrophobicContact CB-CE2 4.06Å; E617-Y620 WeakPolarHBondContact CB-OH 3.4Å; E617-Y620 PolarHBondContact N-OH 3.25Å; E617-Y620 VanDerWaalsContact O-CE2 3.26Å; E617-Y620 WeakPolarHBondContact O-CE2 3.34Å; Y620-Q624 HydrophobicContact CD1-CB 4.28Å; Y620-L625 HydrophobicContact CD2-CD2 4.19Å; Y620-L625 HydrophobicContact CG-CD2 4Å; Y620-L625 HydrophobicContact CG-CG 4.49Å; Y620-I669 PolarHBondContact N-O 3.03Å; Y620-I669 PolarHBondContact O-N 3.06Å |
| 621 | T | 93.4 | Very high | 92.4 | Very high | 31 Ų | 31 | 50.9 Ų | 50.9 | 19% | 0.19 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 156.8 | 166.7 | 68.7 | 0 | 0 | 0 | 0 | 111.2 | Q623 Q624 L625 T667 V668 | T621-Q623 PolarHBondContact O-N 2.7Å; T621-Q624 PolarHBondContact O-N 3.21Å; T621-Q624 VanDerWaalsContact O-N 3.14Å; T621-Q624 VanDerWaalsContact OG1-CG 3.27Å; T621-Q624 WeakPolarHBondContact OG1-CG 3.5Å; T621-Q624 PolarHBondContact OG1-N 3.31Å; T621-Q624 VanDerWaalsContact OG1-N 3.16Å; T621-Q624 PolarHBondContact OG1-OE1 2.94Å; T621-L625 PolarHBondContact O-N 3.4Å; T621-T667 CarbonylContact C-O 3.55Å; T621-T667 VanDerWaalsContact CA-O 3.3Å; T621-T667 WeakPolarHBondContact CA-O 3.44Å; T621-V668 HydrophobicContact CG2-CG2 4.16Å |
| 622 | V | 91.9 | Very high | 92.1 | Very high | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -56.5 | -37.6 | 173.8 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | L625 T626 L636 L640 F663 P665 T667 I669 | V622-L625 PolarHBondContact O-N 2.91Å; V622-T626 PolarHBondContact O-N 2.9Å; V622-T626 PolarHBondContact O-OG1 3.27Å; V622-L636 HydrophobicContact CG1-CD2 4.21Å; V622-L640 HydrophobicContact CG2-CD1 4.18Å; V622-F663 HydrophobicContact CG2-CB 4.41Å; V622-F663 HydrophobicContact CG2-CD1 4.08Å; V622-P665 PolarHBondContact N-O 3.09Å; V622-T667 PolarHBondContact N-O 3.39Å; V622-I669 HydrophobicContact CG2-CD1 3.88Å; V622-I669 HydrophobicContact CG2-CG1 4.37Å |
| 623 | Q | 92.2 | Very high | 91.8 | Very high | 79 Ų | 79 | 57.7 Ų | 57.7 | 37% | 0.369 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.4 | -47 | 175.5 | -173.2 | 58.3 | 42.2 | 0 | 0 | 111.9 | T621 L625 T626 D627 P665 | T621-Q623 PolarHBondContact O-N 2.7Å; Q623-L625 VanDerWaalsContact C-N 3.31Å; Q623-L625 PolarHBondContact O-N 2.95Å; Q623-T626 WeakPolarHBondContact O-CB 3.34Å; Q623-T626 PolarHBondContact O-N 2.8Å; Q623-T626 VanDerWaalsContact O-N 3.08Å; Q623-D627 VanDerWaalsContact NE2-CG 3.27Å; Q623-D627 PolarHBondContact NE2-OD1 2.9Å; Q623-D627 PolarHBondContact NE2-OD2 2.89Å; Q623-D627 PolarHBondContact O-N 2.88Å; Q623-P665 HydrophobicContact CB-CB 4.07Å; Q623-P665 WeakPolarHBondContact CB-O 3.43Å; Q623-P665 PolarHBondContact N-O 3.14Å |
| 624 | Q | 93 | Very high | 91.4 | Very high | 92 Ų | 92 | 59.8 Ų | 59.8 | 43% | 0.43 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.9 | -39.7 | 177.5 | -73.8 | 169.6 | -30.1 | 0 | 0 | 112.2 | Y620 T621 T626 D627 S628 | Y620-Q624 HydrophobicContact CD1-CB 4.28Å; T621-Q624 PolarHBondContact O-N 3.21Å; T621-Q624 VanDerWaalsContact O-N 3.14Å; T621-Q624 VanDerWaalsContact OG1-CG 3.27Å; T621-Q624 WeakPolarHBondContact OG1-CG 3.5Å; T621-Q624 PolarHBondContact OG1-N 3.31Å; T621-Q624 VanDerWaalsContact OG1-N 3.16Å; T621-Q624 PolarHBondContact OG1-OE1 2.94Å; Q624-T626 VanDerWaalsContact C-N 3.35Å; Q624-D627 PolarHBondContact O-N 3.19Å; Q624-S628 WeakPolarHBondContact O-CB 3.07Å; Q624-S628 PolarHBondContact O-N 2.88Å; Q624-S628 PolarHBondContact O-OG 2.57Å |
| 625 | L | 92.8 | Very high | 91 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.1 | -36 | 174.7 | -67.6 | 176.6 | 0 | 0 | 0 | 112 | I610 Q613 Y620 T621 V622 Q623 S628 T629 L636 L640 | I610-L625 HydrophobicContact CG2-CD1 4.33Å; I610-L625 HydrophobicContact CG2-CD2 4.38Å; Q613-L625 HydrophobicContact CB-CD2 4.3Å; Q613-L625 HydrophobicContact CG-CD2 4.12Å; Y620-L625 HydrophobicContact CD2-CD2 4.19Å; Y620-L625 HydrophobicContact CG-CD2 4Å; Y620-L625 HydrophobicContact CG-CG 4.49Å; T621-L625 PolarHBondContact O-N 3.4Å; V622-L625 PolarHBondContact O-N 2.91Å; Q623-L625 VanDerWaalsContact C-N 3.31Å; Q623-L625 PolarHBondContact O-N 2.95Å; L625-S628 WeakPolarHBondContact CA-OG 3.23Å; L625-S628 PolarHBondContact O-OG 2.99Å; L625-T629 WeakPolarHBondContact O-CB 3.33Å; L625-T629 WeakPolarHBondContact O-CG2 3.36Å; L625-T629 PolarHBondContact O-N 3.35Å; L625-T629 VanDerWaalsContact O-N 3.14Å; L625-T629 PolarHBondContact O-OG1 2.72Å; L625-L636 HydrophobicContact CB-CD1 4.49Å; L625-L636 HydrophobicContact CB-CD2 4.31Å; L625-L640 HydrophobicContact CD1-CD2 3.97Å |
| 626 | T | 92.1 | Very high | 90.9 | Very high | 21 Ų | 21 | 55.6 Ų | 55.6 | 13% | 0.129 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64 | -48.1 | 174.4 | -55.7 | 0 | 0 | 0 | 0 | 110.7 | V622 Q623 Q624 Q630 L636 | V622-T626 PolarHBondContact O-N 2.9Å; V622-T626 PolarHBondContact O-OG1 3.27Å; Q623-T626 WeakPolarHBondContact O-CB 3.34Å; Q623-T626 PolarHBondContact O-N 2.8Å; Q623-T626 VanDerWaalsContact O-N 3.08Å; Q624-T626 VanDerWaalsContact C-N 3.35Å; T626-Q630 VanDerWaalsContact O-CA 3.23Å; T626-Q630 WeakPolarHBondContact O-CA 3.43Å; T626-Q630 PolarHBondContact O-N 3.07Å; T626-L636 WeakPolarHBondContact OG1-CD2 3.43Å |
| 627 | D | 91.4 | Very high | 90.7 | Very high | 87 Ų | 87 | 51.4 Ų | 51.4 | 47% | 0.465 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -70.2 | -38.2 | -175.5 | -65.8 | -28.2 | 0 | 0 | 0 | 112.4 | Q623 Q624 Q630 | Q623-D627 VanDerWaalsContact NE2-CG 3.27Å; Q623-D627 PolarHBondContact NE2-OD1 2.9Å; Q623-D627 PolarHBondContact NE2-OD2 2.89Å; Q623-D627 PolarHBondContact O-N 2.88Å; Q624-D627 PolarHBondContact O-N 3.19Å; D627-Q630 PolarHBondContact O-NE2 2.8Å |
| 628 | S | 91.1 | Very high | 90.5 | Very high | 44 Ų | 44 | 47.9 Ų | 47.9 | 31% | 0.308 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -71.9 | -41.7 | 178.5 | 53.7 | 0 | 0 | 0 | 0 | 113 | A554 Q624 L625 | A554-S628 WeakPolarHBondContact CB-O 3.26Å; Q624-S628 WeakPolarHBondContact O-CB 3.07Å; Q624-S628 PolarHBondContact O-N 2.88Å; Q624-S628 PolarHBondContact O-OG 2.57Å; L625-S628 WeakPolarHBondContact CA-OG 3.23Å; L625-S628 PolarHBondContact O-OG 2.99Å |
| 629 | T | 91.4 | Very high | 90.5 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -91.9 | -17.9 | -175.9 | 66.9 | 0 | 0 | 0 | 0 | 113.5 | A554 A609 I610 L625 I631 | A554-T629 PolarHBondContact N-O 2.97Å; A609-T629 HydrophobicContact CB-CG2 4.12Å; I610-T629 HydrophobicContact CG1-CG2 4.33Å; L625-T629 WeakPolarHBondContact O-CB 3.33Å; L625-T629 WeakPolarHBondContact O-CG2 3.36Å; L625-T629 PolarHBondContact O-N 3.35Å; L625-T629 VanDerWaalsContact O-N 3.14Å; L625-T629 PolarHBondContact O-OG1 2.72Å; T629-I631 HydrophobicContact CG2-CD1 4.34Å; T629-I631 PolarHBondContact O-N 2.95Å; T629-I631 VanDerWaalsContact O-N 3.11Å; T629-I631 WeakPolarHBondContact OG1-CD1 3.32Å; T629-I631 WeakPolarHBondContact OG1-CG1 3.46Å; T629-I631 PolarHBondContact OG1-N 2.79Å |
| 630 | Q | 92.1 | Very high | 90.4 | Very high | 94 Ų | 94 | 40.8 Ų | 40.8 | 44% | 0.439 | 21% | 0.21 | S | C | . | . | trans | 55.4 | 21 | -173.3 | -64.1 | -69.1 | -45.7 | 0 | 0 | 113.8 | T552 A554 T626 D627 | T552-Q630 CarbonylContact C-O 3.53Å; T552-Q630 PolarHBondContact OG1-O 2.88Å; A554-Q630 HydrophobicContact CB-CB 4.31Å; A554-Q630 HydrophobicContact CB-CG 4.19Å; T626-Q630 VanDerWaalsContact O-CA 3.23Å; T626-Q630 WeakPolarHBondContact O-CA 3.43Å; T626-Q630 PolarHBondContact O-N 3.07Å; D627-Q630 PolarHBondContact O-NE2 2.8Å | ||
| 631 | I | 89.4 | Confident | 90.1 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | trans | -74.9 | 137.1 | 176.5 | -63.1 | 168.8 | 0 | 0 | 0 | 109 | F553 F606 I610 T629 T633 I635 L636 | F553-I631 HydrophobicContact CD2-CD1 4.35Å; F553-I631 HydrophobicContact CD2-CG1 3.77Å; F553-I631 HydrophobicContact CE2-CD1 4.13Å; F553-I631 HydrophobicContact CE2-CG1 4.06Å; F606-I631 HydrophobicContact CB-CD1 3.97Å; F606-I631 HydrophobicContact CD1-CD1 4.08Å; F606-I631 HydrophobicContact CD1-CG1 4.22Å; F606-I631 HydrophobicContact CG-CD1 4.17Å; I610-I631 HydrophobicContact CG1-CD1 4.45Å; T629-I631 HydrophobicContact CG2-CD1 4.34Å; T629-I631 PolarHBondContact O-N 2.95Å; T629-I631 VanDerWaalsContact O-N 3.11Å; T629-I631 WeakPolarHBondContact OG1-CD1 3.32Å; T629-I631 WeakPolarHBondContact OG1-CG1 3.46Å; T629-I631 PolarHBondContact OG1-N 2.79Å; I631-T633 PolarHBondContact O-N 3.01Å; I631-I635 HydrophobicContact CG2-CB 3.93Å; I631-I635 HydrophobicContact CG2-CG2 3.91Å; I631-L636 HydrophobicContact CB-CB 4.46Å; I631-L636 HydrophobicContact CB-CD1 4.47Å; I631-L636 HydrophobicContact CD1-CD1 4.42Å; I631-L636 HydrophobicContact CG2-CB 4.03Å | ||
| 632 | K | 88.1 | Confident | 89.9 | Confident | 117 Ų | 117 | 41.7 Ų | 41.7 | 51% | 0.509 | 21% | 0.214 | S | C | . | . | trans | -57 | 132.9 | 174.3 | -165.4 | -170.5 | -172.8 | -150.5 | 0 | 110.7 | D634 I635 L636 | K632-D634 VanDerWaalsContact C-N 3.29Å; K632-D634 VanDerWaalsContact CE-OD2 3.26Å; K632-D634 WeakPolarHBondContact CE-OD2 3.37Å; K632-D634 IonicContact NZ-OD2 2.7Å; K632-D634 PolarHBondContact NZ-OD2 2.96Å; K632-D634 PolarHBondContact O-N 3.41Å; K632-D634 VanDerWaalsContact O-N 3.14Å; K632-I635 HydrophobicContact CB-CD1 4.37Å; K632-I635 WeakPolarHBondContact O-CA 3.47Å; K632-I635 WeakPolarHBondContact O-CB 3.45Å; K632-I635 PolarHBondContact O-N 3.49Å; K632-L636 PolarHBondContact O-N 2.99Å | ||
| 633 | T | 87 | Confident | 89.9 | Confident | 71 Ų | 71 | 41.6 Ų | 41.6 | 44% | 0.436 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -49.4 | -44.6 | -175.7 | -45.1 | 0 | 0 | 0 | 0 | 113.5 | I631 I635 L636 V637 | I631-T633 PolarHBondContact O-N 3.01Å; T633-I635 PolarHBondContact O-N 3.09Å; T633-L636 PolarHBondContact O-N 3.17Å; T633-V637 HydrophobicContact CG2-CG2 4.37Å; T633-V637 WeakPolarHBondContact O-CG2 3.38Å; T633-V637 PolarHBondContact O-N 3.34Å |
| 634 | D | 84.9 | Confident | 89.8 | Confident | 91 Ų | 91 | 38.3 Ų | 38.3 | 49% | 0.487 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -57.6 | -35.3 | 178.6 | -52.8 | -27.6 | 0 | 0 | 0 | 113.5 | K632 Q638 | K632-D634 VanDerWaalsContact C-N 3.29Å; K632-D634 VanDerWaalsContact CE-OD2 3.26Å; K632-D634 WeakPolarHBondContact CE-OD2 3.37Å; K632-D634 IonicContact NZ-OD2 2.7Å; K632-D634 PolarHBondContact NZ-OD2 2.96Å; K632-D634 PolarHBondContact O-N 3.41Å; K632-D634 VanDerWaalsContact O-N 3.14Å; D634-Q638 WeakPolarHBondContact O-CG 3.23Å; D634-Q638 PolarHBondContact O-NE2 3.38Å |
| 635 | I | 86.1 | Confident | 89.6 | Confident | 42 Ų | 42 | 38.9 Ų | 38.9 | 22% | 0.215 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -81.7 | -44.5 | 178.8 | -61.5 | 174.6 | 0 | 0 | 0 | 109 | F606 I631 K632 T633 V637 Q638 V639 M688 | F606-I635 HydrophobicContact CD2-CG2 3.79Å; F606-I635 HydrophobicContact CE2-CG2 3.95Å; I631-I635 HydrophobicContact CG2-CB 3.93Å; I631-I635 HydrophobicContact CG2-CG2 3.91Å; K632-I635 HydrophobicContact CB-CD1 4.37Å; K632-I635 WeakPolarHBondContact O-CA 3.47Å; K632-I635 WeakPolarHBondContact O-CB 3.45Å; K632-I635 PolarHBondContact O-N 3.49Å; T633-I635 PolarHBondContact O-N 3.09Å; I635-V637 VanDerWaalsContact C-N 3.32Å; I635-V637 PolarHBondContact O-N 2.88Å; I635-Q638 PolarHBondContact O-N 3.39Å; I635-Q638 VanDerWaalsContact O-N 3.15Å; I635-V639 HydrophobicContact CG2-CG2 4.23Å; I635-V639 WeakPolarHBondContact O-CG2 3.42Å; I635-V639 PolarHBondContact O-N 2.88Å; I635-M688 HydrophobicContact CG2-CE 4.22Å; I635-M688 HydrophobicContact CG2-SD 4.4Å |
| 636 | L | 89.3 | Confident | 89.3 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.1 | -48.5 | 179.5 | -177 | 70.7 | 0 | 0 | 0 | 111.1 | I610 V622 L625 T626 I631 K632 T633 Q638 V639 L640 | I610-L636 HydrophobicContact CD1-CD1 3.49Å; I610-L636 VanDerWaalsContact CD1-CD1 3.49Å; I610-L636 HydrophobicContact CG1-CD1 3.96Å; V622-L636 HydrophobicContact CG1-CD2 4.21Å; L625-L636 HydrophobicContact CB-CD1 4.49Å; L625-L636 HydrophobicContact CB-CD2 4.31Å; T626-L636 WeakPolarHBondContact OG1-CD2 3.43Å; I631-L636 HydrophobicContact CB-CB 4.46Å; I631-L636 HydrophobicContact CB-CD1 4.47Å; I631-L636 HydrophobicContact CD1-CD1 4.42Å; I631-L636 HydrophobicContact CG2-CB 4.03Å; K632-L636 PolarHBondContact O-N 2.99Å; T633-L636 PolarHBondContact O-N 3.17Å; L636-Q638 VanDerWaalsContact C-N 3.31Å; L636-Q638 PolarHBondContact O-N 3.01Å; L636-V639 PolarHBondContact O-N 3.05Å; L636-V639 VanDerWaalsContact O-N 3.14Å; L636-L640 HydrophobicContact CD1-CD1 4.49Å; L636-L640 HydrophobicContact CD2-CD1 4.41Å; L636-L640 HydrophobicContact CG-CD1 3.93Å; L636-L640 HydrophobicContact CG-CG 4.35Å; L636-L640 VanDerWaalsContact O-CG 3.28Å; L636-L640 WeakPolarHBondContact O-CG 3.43Å; L636-L640 PolarHBondContact O-N 3.48Å |
| 637 | V | 89.1 | Confident | 89.2 | Confident | 29 Ų | 29 | 46.1 Ų | 46.1 | 18% | 0.176 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.1 | -44.8 | 178.2 | 167 | 0 | 0 | 0 | 0 | 111.7 | T633 I635 L640 Q641 F663 | T633-V637 HydrophobicContact CG2-CG2 4.37Å; T633-V637 WeakPolarHBondContact O-CG2 3.38Å; T633-V637 PolarHBondContact O-N 3.34Å; I635-V637 VanDerWaalsContact C-N 3.32Å; I635-V637 PolarHBondContact O-N 2.88Å; V637-L640 PolarHBondContact O-N 3.25Å; V637-Q641 VanDerWaalsContact O-CG 3.32Å; V637-Q641 WeakPolarHBondContact O-CG 3.3Å; V637-Q641 PolarHBondContact O-N 2.9Å; V637-F663 HydrophobicContact CB-CD2 4.41Å; V637-F663 HydrophobicContact CG1-CD2 3.49Å; V637-F663 VanDerWaalsContact CG1-CD2 3.49Å; V637-F663 HydrophobicContact CG1-CE2 4Å; V637-F663 HydrophobicContact CG1-CG 4.23Å; V637-F663 HydrophobicContact CG2-CB 3.88Å; V637-F663 HydrophobicContact CG2-CD2 4.33Å; V637-F663 HydrophobicContact CG2-CG 4.26Å |
| 638 | Q | 87.3 | Confident | 89 | Confident | 29 Ų | 29 | 42 Ų | 42 | 14% | 0.136 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.3 | -38.8 | 178.7 | -71.1 | 176.1 | 69.8 | 0 | 0 | 112.3 | D634 I635 L636 L640 Q641 I642 M688 | D634-Q638 WeakPolarHBondContact O-CG 3.23Å; D634-Q638 PolarHBondContact O-NE2 3.38Å; I635-Q638 PolarHBondContact O-N 3.39Å; I635-Q638 VanDerWaalsContact O-N 3.15Å; L636-Q638 VanDerWaalsContact C-N 3.31Å; L636-Q638 PolarHBondContact O-N 3.01Å; Q638-L640 VanDerWaalsContact C-N 3.35Å; Q638-Q641 PolarHBondContact O-N 3.01Å; Q638-I642 WeakPolarHBondContact O-CG1 3.36Å; Q638-I642 PolarHBondContact O-N 3.48Å; Q638-I642 VanDerWaalsContact O-N 3.07Å; Q638-M688 HydrophobicContact CB-CG 4.14Å; Q638-M688 HydrophobicContact CB-SD 3.61Å |
| 639 | V | 89.9 | Confident | 89 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.7 | -43.6 | 175 | 179.9 | 0 | 0 | 0 | 0 | 110.2 | F606 Q607 I610 I635 L636 I642 L643 M688 | F606-V639 HydrophobicContact CB-CG2 4.18Å; Q607-V639 HydrophobicContact CB-CG1 4.32Å; Q607-V639 HydrophobicContact CG-CG1 3.53Å; I610-V639 HydrophobicContact CD1-CB 3.95Å; I610-V639 HydrophobicContact CD1-CG1 3.43Å; I610-V639 VanDerWaalsContact CD1-CG1 3.43Å; I635-V639 HydrophobicContact CG2-CG2 4.23Å; I635-V639 WeakPolarHBondContact O-CG2 3.42Å; I635-V639 PolarHBondContact O-N 2.88Å; L636-V639 PolarHBondContact O-N 3.05Å; L636-V639 VanDerWaalsContact O-N 3.14Å; V639-I642 PolarHBondContact O-N 3.39Å; V639-L643 HydrophobicContact CG1-CD1 4.18Å; V639-L643 HydrophobicContact CG1-CG 4.48Å; V639-L643 WeakPolarHBondContact O-CG 3.46Å; V639-L643 PolarHBondContact O-N 2.83Å; V639-M688 HydrophobicContact CG2-SD 4.31Å |
| 640 | L | 91 | Very high | 89 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.3 | -44 | 176.1 | -69.2 | 171.4 | 0 | 0 | 0 | 111.9 | I610 V622 L625 L636 V637 Q638 I642 L643 L644 L649 F663 I669 | I610-L640 HydrophobicContact CD1-CD2 4.27Å; I610-L640 HydrophobicContact CG2-CD2 4.14Å; V622-L640 HydrophobicContact CG2-CD1 4.18Å; L625-L640 HydrophobicContact CD1-CD2 3.97Å; L636-L640 HydrophobicContact CD1-CD1 4.49Å; L636-L640 HydrophobicContact CD2-CD1 4.41Å; L636-L640 HydrophobicContact CG-CD1 3.93Å; L636-L640 HydrophobicContact CG-CG 4.35Å; L636-L640 VanDerWaalsContact O-CG 3.28Å; L636-L640 WeakPolarHBondContact O-CG 3.43Å; L636-L640 PolarHBondContact O-N 3.48Å; V637-L640 PolarHBondContact O-N 3.25Å; Q638-L640 VanDerWaalsContact C-N 3.35Å; L640-I642 VanDerWaalsContact C-N 3.3Å; L640-I642 PolarHBondContact O-N 2.98Å; L640-L643 PolarHBondContact O-N 3.11Å; L640-L643 VanDerWaalsContact O-N 3.13Å; L640-L644 WeakPolarHBondContact O-CB 3.28Å; L640-L644 VanDerWaalsContact O-CG 3.26Å; L640-L644 WeakPolarHBondContact O-CG 3.35Å; L640-L644 PolarHBondContact O-N 3.23Å; L640-L649 HydrophobicContact CD2-CD1 4.09Å; L640-F663 HydrophobicContact CB-CE1 4.37Å; L640-I669 HydrophobicContact CB-CD1 4.3Å; L640-I669 HydrophobicContact CD1-CD1 3.52Å; L640-I669 HydrophobicContact CD2-CD1 3.64Å; L640-I669 HydrophobicContact CG-CD1 4Å |
| 641 | Q | 89.3 | Confident | 88.7 | Confident | 42 Ų | 42 | 37.8 Ų | 37.8 | 20% | 0.196 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.2 | -41.8 | 174 | -75 | 173.9 | -17.8 | 0 | 0 | 112.1 | V637 Q638 K645 V658 F663 | V637-Q641 VanDerWaalsContact O-CG 3.32Å; V637-Q641 WeakPolarHBondContact O-CG 3.3Å; V637-Q641 PolarHBondContact O-N 2.9Å; Q638-Q641 PolarHBondContact O-N 3.01Å; Q641-K645 WeakPolarHBondContact O-CB 3.5Å; Q641-K645 VanDerWaalsContact O-CG 3.23Å; Q641-K645 WeakPolarHBondContact O-CG 3.35Å; Q641-K645 PolarHBondContact O-N 3Å; Q641-V658 HydrophobicContact CB-CG1 4.26Å; Q641-V658 HydrophobicContact CG-CG1 4.29Å; Q641-F663 HydrophobicContact CG-CE2 3.58Å; Q641-F663 HydrophobicContact CG-CZ 3.98Å |
| 642 | I | 89.1 | Confident | 88 | Confident | 31 Ų | 31 | 44.1 Ų | 44.1 | 16% | 0.159 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.4 | -45.7 | 175.5 | -66.9 | 164.8 | 0 | 0 | 0 | 110.5 | Q638 V639 L640 K645 S646 M688 | Q638-I642 WeakPolarHBondContact O-CG1 3.36Å; Q638-I642 PolarHBondContact O-N 3.48Å; Q638-I642 VanDerWaalsContact O-N 3.07Å; V639-I642 PolarHBondContact O-N 3.39Å; L640-I642 VanDerWaalsContact C-N 3.3Å; L640-I642 PolarHBondContact O-N 2.98Å; I642-K645 PolarHBondContact O-N 2.78Å; I642-S646 WeakPolarHBondContact O-CB 3.24Å; I642-S646 PolarHBondContact O-N 3.44Å; I642-S646 PolarHBondContact O-OG 3.23Å; I642-M688 HydrophobicContact CD1-CG 3.98Å |
| 643 | L | 91.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.4 | -39.5 | -179.2 | -66.5 | 177.3 | 0 | 0 | 0 | 112.4 | Q607 I610 L611 V639 L640 S646 K647 L648 L649 I684 | Q607-L643 HydrophobicContact CG-CD2 4.42Å; I610-L643 HydrophobicContact CB-CD1 4.3Å; I610-L643 HydrophobicContact CD1-CD1 4.42Å; I610-L643 HydrophobicContact CG2-CD1 3.96Å; L611-L643 HydrophobicContact CD1-CD2 4.12Å; L611-L643 HydrophobicContact CD2-CD1 4.27Å; L611-L643 HydrophobicContact CD2-CD2 4.25Å; L611-L643 HydrophobicContact CG-CD1 4.3Å; L611-L643 HydrophobicContact CG-CD2 4.3Å; V639-L643 HydrophobicContact CG1-CD1 4.18Å; V639-L643 HydrophobicContact CG1-CG 4.48Å; V639-L643 WeakPolarHBondContact O-CG 3.46Å; V639-L643 PolarHBondContact O-N 2.83Å; L640-L643 PolarHBondContact O-N 3.11Å; L640-L643 VanDerWaalsContact O-N 3.13Å; L643-S646 WeakPolarHBondContact CA-OG 3.36Å; L643-S646 PolarHBondContact O-N 3.19Å; L643-S646 PolarHBondContact O-OG 2.74Å; L643-K647 PolarHBondContact O-N 2.93Å; L643-L648 HydrophobicContact CD2-CD1 4.1Å; L643-L648 PolarHBondContact O-N 2.93Å; L643-L648 VanDerWaalsContact O-N 3.09Å; L643-L649 HydrophobicContact CB-CD1 3.76Å; L643-L649 HydrophobicContact CB-CG 4.05Å; L643-L649 HydrophobicContact CD1-CD1 3.75Å; L643-L649 HydrophobicContact CG-CD1 4.4Å; L643-I684 HydrophobicContact CD2-CD1 3.91Å |
| 644 | L | 90.1 | Very high | 86.3 | Confident | 11 Ų | 11 | 47 Ų | 47 | 6% | 0.058 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.5 | -46.9 | 174.5 | -72.6 | 166 | 0 | 0 | 0 | 111.8 | L640 S646 K647 L649 M651 V658 F663 | L640-L644 WeakPolarHBondContact O-CB 3.28Å; L640-L644 VanDerWaalsContact O-CG 3.26Å; L640-L644 WeakPolarHBondContact O-CG 3.35Å; L640-L644 PolarHBondContact O-N 3.23Å; L644-S646 PolarHBondContact O-N 2.8Å; L644-K647 WeakPolarHBondContact O-CA 3.49Å; L644-K647 PolarHBondContact O-N 2.95Å; L644-L649 HydrophobicContact CD2-CB 4.05Å; L644-L649 HydrophobicContact CG-CB 4.48Å; L644-M651 HydrophobicContact CD1-CE 4.16Å; L644-M651 HydrophobicContact CD1-CG 4.17Å; L644-M651 HydrophobicContact CD1-SD 3.97Å; L644-M651 HydrophobicContact CD2-CG 3.87Å; L644-V658 HydrophobicContact CB-CG1 3.71Å; L644-V658 HydrophobicContact CB-CG2 4.16Å; L644-V658 HydrophobicContact CD1-CG1 4.18Å; L644-F663 HydrophobicContact CD1-CE1 3.62Å; L644-F663 HydrophobicContact CD1-CZ 3.48Å; L644-F663 VanDerWaalsContact CD1-CZ 3.48Å |
| 645 | K | 88.3 | Confident | 85.1 | Confident | 103 Ų | 103 | 50.2 Ų | 50.2 | 45% | 0.448 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.7 | -34.7 | 174.7 | -74.4 | 178.5 | -170 | -170.1 | 0 | 112.6 | Q641 I642 K647 V658 D659 | Q641-K645 WeakPolarHBondContact O-CB 3.5Å; Q641-K645 VanDerWaalsContact O-CG 3.23Å; Q641-K645 WeakPolarHBondContact O-CG 3.35Å; Q641-K645 PolarHBondContact O-N 3Å; I642-K645 PolarHBondContact O-N 2.78Å; K645-K647 PolarHBondContact O-N 3.18Å; K645-V658 HydrophobicContact CG-CB 4.2Å; K645-V658 HydrophobicContact CG-CG1 3.89Å; K645-D659 WeakPolarHBondContact CE-OD1 3.5Å; K645-D659 VanDerWaalsContact CE-OD2 3.29Å; K645-D659 WeakPolarHBondContact CE-OD2 3.48Å; K645-D659 IonicContact NZ-OD1 2.97Å; K645-D659 PolarHBondContact NZ-OD1 2.93Å; K645-D659 IonicContact NZ-OD2 2.77Å; K645-D659 PolarHBondContact NZ-OD2 3.02Å |
| 646 | S | 87.7 | Confident | 84.2 | Confident | 32 Ų | 32 | 49.6 Ų | 49.6 | 22% | 0.224 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -8.2 | 174.4 | 77.9 | 0 | 0 | 0 | 0 | 112.9 | I642 L643 L644 L648 Y675 | I642-S646 WeakPolarHBondContact O-CB 3.24Å; I642-S646 PolarHBondContact O-N 3.44Å; I642-S646 PolarHBondContact O-OG 3.23Å; L643-S646 WeakPolarHBondContact CA-OG 3.36Å; L643-S646 PolarHBondContact O-N 3.19Å; L643-S646 PolarHBondContact O-OG 2.74Å; L644-S646 PolarHBondContact O-N 2.8Å; S646-L648 PolarHBondContact O-N 3.37Å; S646-L648 WeakPolarHBondContact OG-CD1 3.27Å; S646-L648 WeakPolarHBondContact OG-CG 3.41Å; S646-Y675 VanDerWaalsContact O-CE2 3.25Å; S646-Y675 WeakPolarHBondContact O-CE2 3.4Å |
| 647 | K | 88.4 | Confident | 83.3 | Confident | 141 Ų | 141 | 53.5 Ų | 53.5 | 61% | 0.613 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 29.8 | -173.3 | -58.6 | -167.4 | 173.9 | -164.3 | 0 | 113.8 | L643 L644 K645 F672 Y675 | L643-K647 PolarHBondContact O-N 2.93Å; L644-K647 WeakPolarHBondContact O-CA 3.49Å; L644-K647 PolarHBondContact O-N 2.95Å; K645-K647 PolarHBondContact O-N 3.18Å; K647-F672 HydrophobicContact CB-CD1 4.41Å; K647-F672 WeakPolarHBondContact O-CD1 3.42Å; K647-Y675 WeakPolarHBondContact O-CD2 3.26Å |
| 648 | L | 88.4 | Confident | 82.5 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -82.5 | -32.3 | 168.8 | -71.7 | 172.1 | 0 | 0 | 0 | 111 | F595 L601 L643 S646 F672 Y675 I684 | F595-L648 HydrophobicContact CE2-CD2 3.88Å; F595-L648 HydrophobicContact CZ-CD2 4.04Å; L601-L648 HydrophobicContact CD1-CD1 3.77Å; L601-L648 HydrophobicContact CD1-CD2 4.02Å; L601-L648 HydrophobicContact CD2-CD1 4.4Å; L601-L648 HydrophobicContact CD2-CD2 4.42Å; L643-L648 HydrophobicContact CD2-CD1 4.1Å; L643-L648 PolarHBondContact O-N 2.93Å; L643-L648 VanDerWaalsContact O-N 3.09Å; S646-L648 PolarHBondContact O-N 3.37Å; S646-L648 WeakPolarHBondContact OG-CD1 3.27Å; S646-L648 WeakPolarHBondContact OG-CG 3.41Å; L648-F672 PolarHBondContact O-N 3.18Å; L648-Y675 HydrophobicContact CD2-CD1 4.16Å; L648-Y675 HydrophobicContact CD2-CD2 3.87Å; L648-Y675 HydrophobicContact CD2-CE1 4.13Å; L648-Y675 HydrophobicContact CD2-CE2 3.82Å; L648-Y675 HydrophobicContact CD2-CG 4.02Å; L648-Y675 HydrophobicContact CG-CD2 4.44Å; L648-Y675 HydrophobicContact CG-CE2 4.19Å; L648-I684 HydrophobicContact CD1-CD1 3.8Å; L648-I684 HydrophobicContact CD1-CG2 4.08Å |
| 649 | L | 91.2 | Very high | 81.6 | Confident | 3 Ų | 3 | 56.8 Ų | 56.8 | 2% | 0.016 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 160.9 | 174 | -58.8 | 179.6 | 0 | 0 | 0 | 109.6 | I610 Y614 L640 L643 L644 I669 K670 L671 | I610-L649 HydrophobicContact CG2-CD1 4.35Å; Y614-L649 HydrophobicContact CD2-CD2 4.14Å; Y614-L649 HydrophobicContact CE1-CD2 4.16Å; Y614-L649 HydrophobicContact CE2-CD1 4.23Å; Y614-L649 HydrophobicContact CE2-CD2 3.64Å; L640-L649 HydrophobicContact CD2-CD1 4.09Å; L643-L649 HydrophobicContact CB-CD1 3.76Å; L643-L649 HydrophobicContact CB-CG 4.05Å; L643-L649 HydrophobicContact CD1-CD1 3.75Å; L643-L649 HydrophobicContact CG-CD1 4.4Å; L644-L649 HydrophobicContact CD2-CB 4.05Å; L644-L649 HydrophobicContact CG-CB 4.48Å; L649-I669 HydrophobicContact CB-CG2 3.77Å; L649-I669 HydrophobicContact CD1-CG2 3.81Å; L649-I669 HydrophobicContact CG-CG2 4.24Å; L649-K670 CarbonylContact C-O 3.52Å; L649-K670 VanDerWaalsContact CA-O 3.31Å; L649-K670 WeakPolarHBondContact CA-O 3.23Å; L649-L671 HydrophobicContact CD2-CD1 4.26Å |
| 650 | V | 89.8 | Confident | 80.4 | Confident | 30 Ų | 30 | 64.3 Ų | 64.3 | 18% | 0.182 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 150.7 | 177.3 | 66.8 | 0 | 0 | 0 | 0 | 110.3 | E654 K670 F672 | V650-E654 HydrophobicContact CG2-CG 3.97Å; V650-K670 HydrophobicContact CG1-CB 4.05Å; V650-K670 PolarHBondContact N-O 3.03Å; V650-K670 PolarHBondContact O-N 3.21Å; V650-F672 HydrophobicContact CB-CB 4.29Å; V650-F672 HydrophobicContact CB-CD2 4.37Å; V650-F672 HydrophobicContact CG1-CB 4.26Å; V650-F672 HydrophobicContact CG1-CD2 4.33Å |
| 651 | M | 85.8 | Confident | 79.5 | Confident | 17 Ų | 17 | 65.9 Ų | 65.9 | 8% | 0.084 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 165.1 | 171.5 | -67.9 | 179.8 | -61.9 | 0 | 0 | 109.7 | L644 D653 A656 V661 F663 T667 | L644-M651 HydrophobicContact CD1-CE 4.16Å; L644-M651 HydrophobicContact CD1-CG 4.17Å; L644-M651 HydrophobicContact CD1-SD 3.97Å; L644-M651 HydrophobicContact CD2-CG 3.87Å; M651-D653 PolarHBondContact O-N 2.9Å; M651-A656 HydrophobicContact CE-CB 4.17Å; M651-V661 HydrophobicContact CE-CB 4.37Å; M651-V661 HydrophobicContact CE-CG1 4.23Å; M651-V661 HydrophobicContact CE-CG2 3.74Å; M651-V661 HydrophobicContact SD-CG1 3.97Å; M651-F663 HydrophobicContact SD-CE1 3.9Å; M651-F663 HydrophobicContact SD-CZ 4.33Å; M651-T667 HydrophobicContact SD-CG2 4.37Å |
| 652 | E | 76.5 | Confident | 78.9 | Confident | 134 Ų | 134 | 70.2 Ų | 70.2 | 63% | 0.626 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -61.9 | -30.3 | 176.8 | -63 | -163.3 | 143.3 | 0 | 0 | 113.2 | V668 K670 | E652-V668 HydrophobicContact CG-CB 4.48Å; E652-K670 WeakPolarHBondContact OE1-CE 3.49Å; E652-K670 IonicContact OE1-NZ 3.4Å; E652-K670 PolarHBondContact OE1-NZ 3.19Å |
| 653 | D | 74.4 | Confident | 78.5 | Confident | 99 Ų | 99 | 69.5 Ų | 69.5 | 53% | 0.529 | 36% | 0.355 | S | S | . | . | trans | -92.3 | 96.9 | 169.5 | -171.7 | -5.8 | 0 | 0 | 0 | 110.5 | M651 N655 A656 | M651-D653 PolarHBondContact O-N 2.9Å; D653-N655 PolarHBondContact O-N 2.73Å; D653-N655 PolarHBondContact OD1-N 2.97Å; D653-N655 VanDerWaalsContact OD1-N 3.08Å; D653-A656 HydrophobicContact CB-CB 4.18Å; D653-A656 PolarHBondContact O-N 3.23Å; D653-A656 PolarHBondContact OD1-N 3.48Å | ||
| 654 | E | 63.4 | Low | 78.2 | Confident | 151 Ų | 151 | 75.4 Ų | 75.4 | 71% | 0.706 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -16 | 179.4 | -63.9 | -165.9 | 156 | 0 | 0 | 113.7 | V650 | V650-E654 HydrophobicContact CG2-CG 3.97Š|
| 655 | N | 61.3 | Low | 78 | Confident | 157 Ų | 157 | 78.4 Ų | 78.4 | 84% | 0.84 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -4.4 | -178.6 | -70.4 | -31.9 | 0 | 0 | 0 | 113.3 | D653 N657 | D653-N655 PolarHBondContact O-N 2.73Å; D653-N655 PolarHBondContact OD1-N 2.97Å; D653-N655 VanDerWaalsContact OD1-N 3.08Å; N655-N657 PolarHBondContact O-N 3Å |
| 656 | A | 65.8 | Low | 78 | Confident | 30 Ų | 30 | 79 Ų | 79 | 25% | 0.248 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -67.3 | 131.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | M651 D653 V658 V661 | M651-A656 HydrophobicContact CE-CB 4.17Å; D653-A656 HydrophobicContact CB-CB 4.18Å; D653-A656 PolarHBondContact O-N 3.23Å; D653-A656 PolarHBondContact OD1-N 3.48Å; A656-V658 PolarHBondContact O-N 2.88Å; A656-V658 VanDerWaalsContact O-N 3.08Å; A656-V661 HydrophobicContact CB-CG2 3.83Å |
| 657 | N | 71.9 | Confident | 78 | Confident | 81 Ų | 81 | 78.9 Ų | 78.9 | 43% | 0.433 | 41% | 0.407 | S | S | . | . | trans | -69.6 | 105 | 174.2 | -177.5 | 5.3 | 0 | 0 | 0 | 110 | N655 D659 E660 V661 | N655-N657 PolarHBondContact O-N 3Å; N657-D659 PolarHBondContact O-N 3.23Å; N657-D659 PolarHBondContact OD1-N 3.42Å; N657-E660 HydrophobicContact CB-CB 4.41Å; N657-E660 PolarHBondContact ND2-OE2 3.18Å; N657-E660 PolarHBondContact O-N 3.42Å; N657-V661 VanDerWaalsContact O-CG2 3.23Å; N657-V661 WeakPolarHBondContact O-CG2 3.35Å; N657-V661 PolarHBondContact O-N 3.37Å | ||
| 658 | V | 71.8 | Confident | 78.1 | Confident | 27 Ų | 27 | 74 Ų | 74 | 16% | 0.164 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -26.4 | -176.2 | -176.5 | 0 | 0 | 0 | 0 | 113.5 | Q641 L644 K645 A656 E660 | Q641-V658 HydrophobicContact CB-CG1 4.26Å; Q641-V658 HydrophobicContact CG-CG1 4.29Å; L644-V658 HydrophobicContact CB-CG1 3.71Å; L644-V658 HydrophobicContact CB-CG2 4.16Å; L644-V658 HydrophobicContact CD1-CG1 4.18Å; K645-V658 HydrophobicContact CG-CB 4.2Å; K645-V658 HydrophobicContact CG-CG1 3.89Å; A656-V658 PolarHBondContact O-N 2.88Å; A656-V658 VanDerWaalsContact O-N 3.08Å; V658-E660 VanDerWaalsContact C-N 3.35Å |
| 659 | D | 67.6 | Low | 78.3 | Confident | 101 Ų | 101 | 74 Ų | 74 | 54% | 0.54 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -18.4 | 177.4 | -86.5 | -57.9 | 0 | 0 | 0 | 114.3 | K645 N657 | K645-D659 WeakPolarHBondContact CE-OD1 3.5Å; K645-D659 VanDerWaalsContact CE-OD2 3.29Å; K645-D659 WeakPolarHBondContact CE-OD2 3.48Å; K645-D659 IonicContact NZ-OD1 2.97Å; K645-D659 PolarHBondContact NZ-OD1 2.93Å; K645-D659 IonicContact NZ-OD2 2.77Å; K645-D659 PolarHBondContact NZ-OD2 3.02Å; N657-D659 PolarHBondContact O-N 3.23Å; N657-D659 PolarHBondContact OD1-N 3.42Å |
| 660 | E | 66.1 | Low | 78.4 | Confident | 158 Ų | 158 | 77.4 Ų | 77.4 | 74% | 0.738 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.5 | -0.5 | -175 | -67.6 | 174.1 | 163.9 | 0 | 0 | 112.9 | N657 V658 D662 | N657-E660 HydrophobicContact CB-CB 4.41Å; N657-E660 PolarHBondContact ND2-OE2 3.18Å; N657-E660 PolarHBondContact O-N 3.42Å; V658-E660 VanDerWaalsContact C-N 3.35Å; E660-D662 PolarHBondContact O-N 3.08Å |
| 661 | V | 71.9 | Confident | 78.4 | Confident | 34 Ų | 34 | 77.1 Ų | 77.1 | 21% | 0.206 | 40% | 0.4 | C | S | . | . | trans | -72.1 | 121.8 | 178.5 | 179.6 | 0 | 0 | 0 | 0 | 110.8 | M651 A656 N657 F663 | M651-V661 HydrophobicContact CE-CB 4.37Å; M651-V661 HydrophobicContact CE-CG1 4.23Å; M651-V661 HydrophobicContact CE-CG2 3.74Å; M651-V661 HydrophobicContact SD-CG1 3.97Å; A656-V661 HydrophobicContact CB-CG2 3.83Å; N657-V661 VanDerWaalsContact O-CG2 3.23Å; N657-V661 WeakPolarHBondContact O-CG2 3.35Å; N657-V661 PolarHBondContact O-N 3.37Å; V661-F663 HydrophobicContact CB-CE2 4.24Å; V661-F663 HydrophobicContact CB-CZ 4.48Å; V661-F663 HydrophobicContact CG1-CD2 4.39Å; V661-F663 HydrophobicContact CG1-CE2 4.28Å; V661-F663 HydrophobicContact CG1-CZ 4.35Å; V661-F663 WeakPolarHBondContact O-CD2 3.49Å | ||
| 662 | D | 76.5 | Confident | 78.7 | Confident | 133 Ų | 133 | 79.2 Ų | 79.2 | 71% | 0.711 | 41% | 0.409 | S | S | * | . | trans | -82.5 | 110 | 166.3 | -171.4 | 23.8 | 0 | 0 | 0 | 109.5 | E660 K664 | E660-D662 PolarHBondContact O-N 3.08Å; D662-K664 PolarHBondContact O-N 3.36Å; D662-K664 VanDerWaalsContact O-N 3.11Å | ||
| 663 | F | 80.9 | Confident | 79.2 | Confident | 16 Ų | 16 | 77.6 Ų | 77.6 | 7% | 0.07 | 40% | 0.404 | C | S | . | . | trans | -78.4 | 97.4 | -176.2 | -72.5 | -92.3 | 0 | 0 | 0 | 110.3 | V622 V637 L640 Q641 L644 M651 V661 I669 | V622-F663 HydrophobicContact CG2-CB 4.41Å; V622-F663 HydrophobicContact CG2-CD1 4.08Å; V637-F663 HydrophobicContact CB-CD2 4.41Å; V637-F663 HydrophobicContact CG1-CD2 3.49Å; V637-F663 VanDerWaalsContact CG1-CD2 3.49Å; V637-F663 HydrophobicContact CG1-CE2 4Å; V637-F663 HydrophobicContact CG1-CG 4.23Å; V637-F663 HydrophobicContact CG2-CB 3.88Å; V637-F663 HydrophobicContact CG2-CD2 4.33Å; V637-F663 HydrophobicContact CG2-CG 4.26Å; L640-F663 HydrophobicContact CB-CE1 4.37Å; Q641-F663 HydrophobicContact CG-CE2 3.58Å; Q641-F663 HydrophobicContact CG-CZ 3.98Å; L644-F663 HydrophobicContact CD1-CE1 3.62Å; L644-F663 HydrophobicContact CD1-CZ 3.48Å; L644-F663 VanDerWaalsContact CD1-CZ 3.48Å; M651-F663 HydrophobicContact SD-CE1 3.9Å; M651-F663 HydrophobicContact SD-CZ 4.33Å; V661-F663 HydrophobicContact CB-CE2 4.24Å; V661-F663 HydrophobicContact CB-CZ 4.48Å; V661-F663 HydrophobicContact CG1-CD2 4.39Å; V661-F663 HydrophobicContact CG1-CE2 4.28Å; V661-F663 HydrophobicContact CG1-CZ 4.35Å; V661-F663 WeakPolarHBondContact O-CD2 3.49Å; F663-I669 HydrophobicContact CD1-CD1 4.38Å; F663-I669 HydrophobicContact CE1-CD1 4.2Å | ||
| 664 | K | 84.8 | Confident | 79.7 | Confident | 123 Ų | 123 | 74.9 Ų | 74.9 | 54% | 0.535 | 40% | 0.4 | S | S | . | . | trans | -73.6 | 152.4 | 171.2 | -60.1 | -178.4 | -177 | 175.6 | 0 | 111.1 | D662 D666 T667 | D662-K664 PolarHBondContact O-N 3.36Å; D662-K664 VanDerWaalsContact O-N 3.11Å; K664-D666 WeakPolarHBondContact CB-OD1 3.25Å; K664-D666 PolarHBondContact O-N 3.14Å; K664-D666 VanDerWaalsContact O-N 3.14Å; K664-T667 PolarHBondContact N-OG1 3.48Å; K664-T667 VanDerWaalsContact N-OG1 3.09Å; K664-T667 VanDerWaalsContact O-CB 3.24Å; K664-T667 WeakPolarHBondContact O-CB 3.46Å; K664-T667 PolarHBondContact O-N 3.46Å; K664-T667 PolarHBondContact O-OG1 2.92Å | ||
| 665 | P | 85.1 | Confident | 81 | Confident | 75 Ų | 75 | 68.2 Ų | 68.2 | 49% | 0.487 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -30.3 | -179.3 | -26.2 | 35 | 0 | 0 | 0 | 114.8 | V622 Q623 | V622-P665 PolarHBondContact N-O 3.09Å; Q623-P665 HydrophobicContact CB-CB 4.07Å; Q623-P665 WeakPolarHBondContact CB-O 3.43Å; Q623-P665 PolarHBondContact N-O 3.14Å |
| 666 | D | 87.9 | Confident | 82.2 | Confident | 114 Ų | 114 | 69.2 Ų | 69.2 | 61% | 0.61 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -5.2 | 179.3 | 60.5 | -29.6 | 0 | 0 | 0 | 114.1 | K664 V668 | K664-D666 WeakPolarHBondContact CB-OD1 3.25Å; K664-D666 PolarHBondContact O-N 3.14Å; K664-D666 VanDerWaalsContact O-N 3.14Å; D666-V668 PolarHBondContact O-N 3.17Å |
| 667 | T | 89.1 | Confident | 83.2 | Confident | 31 Ų | 31 | 70.6 Ų | 70.6 | 19% | 0.19 | 37% | 0.368 | C | S | . | . | trans | -61.6 | 122.1 | 178.8 | -50.6 | 0 | 0 | 0 | 0 | 110.2 | T621 V622 M651 K664 | T621-T667 CarbonylContact C-O 3.55Å; T621-T667 VanDerWaalsContact CA-O 3.3Å; T621-T667 WeakPolarHBondContact CA-O 3.44Å; V622-T667 PolarHBondContact N-O 3.39Å; M651-T667 HydrophobicContact SD-CG2 4.37Å; K664-T667 PolarHBondContact N-OG1 3.48Å; K664-T667 VanDerWaalsContact N-OG1 3.09Å; K664-T667 VanDerWaalsContact O-CB 3.24Å; K664-T667 WeakPolarHBondContact O-CB 3.46Å; K664-T667 PolarHBondContact O-N 3.46Å; K664-T667 PolarHBondContact O-OG1 2.92Å | ||
| 668 | V | 90.3 | Very high | 84.1 | Confident | 39 Ų | 39 | 77 Ų | 77 | 24% | 0.236 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 130.2 | 178.7 | -178.1 | 0 | 0 | 0 | 0 | 110.3 | T621 E652 D666 K670 | T621-V668 HydrophobicContact CG2-CG2 4.16Å; E652-V668 HydrophobicContact CG-CB 4.48Å; D666-V668 PolarHBondContact O-N 3.17Å; V668-K670 HydrophobicContact CG1-CG 4.11Å |
| 669 | I | 92.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 82.7 Ų | 82.7 | 0% | 0 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 129.5 | 176.8 | -54.9 | -173.4 | 0 | 0 | 0 | 108.3 | Y614 S619 Y620 V622 L640 L649 F663 | Y614-I669 WeakPolarHBondContact OH-CG2 3.4Å; Y614-I669 PolarHBondContact OH-O 3.01Å; S619-I669 WeakPolarHBondContact CA-O 3.46Å; Y620-I669 PolarHBondContact N-O 3.03Å; Y620-I669 PolarHBondContact O-N 3.06Å; V622-I669 HydrophobicContact CG2-CD1 3.88Å; V622-I669 HydrophobicContact CG2-CG1 4.37Å; L640-I669 HydrophobicContact CB-CD1 4.3Å; L640-I669 HydrophobicContact CD1-CD1 3.52Å; L640-I669 HydrophobicContact CD2-CD1 3.64Å; L640-I669 HydrophobicContact CG-CD1 4Å; L649-I669 HydrophobicContact CB-CG2 3.77Å; L649-I669 HydrophobicContact CD1-CG2 3.81Å; L649-I669 HydrophobicContact CG-CG2 4.24Å; F663-I669 HydrophobicContact CD1-CD1 4.38Å; F663-I669 HydrophobicContact CE1-CD1 4.2Å |
| 670 | K | 92.2 | Very high | 86 | Confident | 75 Ų | 75 | 83.3 Ų | 83.3 | 33% | 0.326 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 150.6 | -175.1 | -57.8 | -174.8 | -178.5 | 166.1 | 0 | 111.2 | D618 L649 V650 E652 V668 | D618-K670 CarbonylContact O-C 3.49Å; D618-K670 WeakPolarHBondContact O-CA 3.47Å; L649-K670 CarbonylContact C-O 3.52Å; L649-K670 VanDerWaalsContact CA-O 3.31Å; L649-K670 WeakPolarHBondContact CA-O 3.23Å; V650-K670 HydrophobicContact CG1-CB 4.05Å; V650-K670 PolarHBondContact N-O 3.03Å; V650-K670 PolarHBondContact O-N 3.21Å; E652-K670 WeakPolarHBondContact OE1-CE 3.49Å; E652-K670 IonicContact OE1-NZ 3.4Å; E652-K670 PolarHBondContact OE1-NZ 3.19Å; V668-K670 HydrophobicContact CG1-CG 4.11Å |
| 671 | L | 91.6 | Very high | 87.3 | Confident | 24 Ų | 24 | 82.7 Ų | 82.7 | 13% | 0.126 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 129.2 | 172.1 | -176.3 | 67 | 0 | 0 | 0 | 110.5 | C594 F595 Y614 D618 L649 L673 | C594-L671 HydrophobicContact CB-CD2 4.31Å; F595-L671 HydrophobicContact CZ-CD1 4.38Å; Y614-L671 HydrophobicContact CD1-CB 3.78Å; Y614-L671 HydrophobicContact CE1-CB 4.29Å; Y614-L671 HydrophobicContact CG-CB 4.37Å; D618-L671 PolarHBondContact O-N 3.31Å; L649-L671 HydrophobicContact CD2-CD1 4.26Å; L671-L673 HydrophobicContact CD2-CD2 3.96Å; L671-L673 HydrophobicContact CG-CD2 4.34Å; L671-L673 PolarHBondContact O-N 3.41Å |
| 672 | F | 90.9 | Very high | 88.3 | Confident | 62 Ų | 62 | 81.8 Ų | 81.8 | 27% | 0.272 | 40% | 0.403 | S | S | . | . | trans | -90.6 | 97.1 | 179.2 | -178.1 | -110.4 | 0 | 0 | 0 | 112.2 | F595 K647 L648 V650 G674 Y675 | F595-F672 WeakPolarHBondContact CE1-O 3.44Å; K647-F672 HydrophobicContact CB-CD1 4.41Å; K647-F672 WeakPolarHBondContact O-CD1 3.42Å; L648-F672 PolarHBondContact O-N 3.18Å; V650-F672 HydrophobicContact CB-CB 4.29Å; V650-F672 HydrophobicContact CB-CD2 4.37Å; V650-F672 HydrophobicContact CG1-CB 4.26Å; V650-F672 HydrophobicContact CG1-CD2 4.33Å; F672-G674 VanDerWaalsContact CE1-CA 3.48Å; F672-G674 WeakPolarHBondContact CE1-O 3.4Å; F672-G674 PolarHBondContact O-N 2.89Å; F672-Y675 PolarHBondContact O-N 3.3Å | ||
| 673 | L | 86.8 | Confident | 88.9 | Confident | 100 Ų | 100 | 79.9 Ų | 79.9 | 52% | 0.524 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -16.6 | -178.8 | -61 | 177.8 | 0 | 0 | 0 | 114.4 | C594 L671 Y675 | C594-L673 HydrophobicContact CB-CD2 4.45Å; L671-L673 HydrophobicContact CD2-CD2 3.96Å; L671-L673 HydrophobicContact CG-CD2 4.34Å; L671-L673 PolarHBondContact O-N 3.41Å; L673-Y675 PolarHBondContact O-N 3.34Å |
| 674 | G | 85.9 | Confident | 89.4 | Confident | 42 Ų | 42 | 79.3 Ų | 79.3 | 43% | 0.433 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 9.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | F672 K676 | F672-G674 VanDerWaalsContact CE1-CA 3.48Å; F672-G674 WeakPolarHBondContact CE1-O 3.4Å; F672-G674 PolarHBondContact O-N 2.89Å; G674-K676 PolarHBondContact O-N 3.29Å |
| 675 | Y | 89.3 | Confident | 89.6 | Confident | 10 Ų | 10 | 75.6 Ų | 75.6 | 4% | 0.039 | 38% | 0.376 | C | S | . | . | trans | -57.6 | 130.2 | -171.5 | -175.7 | -107 | 0 | 0 | 0 | 113.2 | F595 Y599 S646 K647 L648 F672 L673 N677 | F595-Y675 AromaticContact CD2-CD1 3.89Å; F595-Y675 HydrophobicContact CD2-CD1 3.89Å; F595-Y675 HydrophobicContact CD2-CG 4.34Å; F595-Y675 AromaticContact CE2-CD1 3.97Å; F595-Y675 HydrophobicContact CE2-CD1 3.97Å; F595-Y675 HydrophobicContact CE2-CG 4.17Å; F595-Y675 HydrophobicContact CG-CD1 4.45Å; F595-Y675 HydrophobicContact CZ-CG 4.37Å; Y599-Y675 HydrophobicContact CD1-CE1 4.28Å; Y599-Y675 AromaticContact CD2-CD1 3.71Å; Y599-Y675 HydrophobicContact CD2-CD1 3.71Å; Y599-Y675 AromaticContact CD2-CE1 3.84Å; Y599-Y675 HydrophobicContact CD2-CE1 3.84Å; Y599-Y675 HydrophobicContact CE1-CE1 4.47Å; Y599-Y675 AromaticContact CE2-CD1 3.7Å; Y599-Y675 HydrophobicContact CE2-CD1 3.7Å; Y599-Y675 HydrophobicContact CE2-CE1 4.01Å; Y599-Y675 HydrophobicContact CG-CD1 4.33Å; Y599-Y675 AromaticContact CG-CE1 3.99Å; Y599-Y675 HydrophobicContact CG-CE1 3.99Å; S646-Y675 VanDerWaalsContact O-CE2 3.25Å; S646-Y675 WeakPolarHBondContact O-CE2 3.4Å; K647-Y675 WeakPolarHBondContact O-CD2 3.26Å; L648-Y675 HydrophobicContact CD2-CD1 4.16Å; L648-Y675 HydrophobicContact CD2-CD2 3.87Å; L648-Y675 HydrophobicContact CD2-CE1 4.13Å; L648-Y675 HydrophobicContact CD2-CE2 3.82Å; L648-Y675 HydrophobicContact CD2-CG 4.02Å; L648-Y675 HydrophobicContact CG-CD2 4.44Å; L648-Y675 HydrophobicContact CG-CE2 4.19Å; F672-Y675 PolarHBondContact O-N 3.3Å; L673-Y675 PolarHBondContact O-N 3.34Å; Y675-N677 HydrophobicContact CE1-CB 4Å; Y675-N677 PolarHBondContact OH-ND2 3.37Å; Y675-N677 VanDerWaalsContact OH-ND2 3.1Å | ||
| 676 | K | 86.9 | Confident | 89.5 | Confident | 178 Ų | 178 | 75.8 Ų | 75.8 | 77% | 0.774 | 38% | 0.376 | S | S | * | . | trans | -140.3 | 127.7 | 175.4 | -68.8 | -179.7 | -175 | 172.5 | 0 | 110.5 | G674 | G674-K676 PolarHBondContact O-N 3.29Š| ||
| 677 | N | 88.2 | Confident | 88.9 | Confident | 59 Ų | 59 | 74.4 Ų | 74.4 | 32% | 0.316 | 37% | 0.373 | S | S | . | . | trans | -131.7 | 146.8 | 172.7 | -159.4 | -46.8 | 0 | 0 | 0 | 110.8 | Y599 Y675 K679 V682 | Y599-N677 HydrophobicContact CD1-CB 4.38Å; Y599-N677 HydrophobicContact CE1-CB 3.86Å; Y599-N677 PolarHBondContact OH-N 3.3Å; Y599-N677 VanDerWaalsContact OH-N 3.15Å; Y599-N677 PolarHBondContact OH-O 3.39Å; Y675-N677 HydrophobicContact CE1-CB 4Å; Y675-N677 PolarHBondContact OH-ND2 3.37Å; Y675-N677 VanDerWaalsContact OH-ND2 3.1Å; N677-K679 VanDerWaalsContact C-N 3.27Å; N677-K679 PolarHBondContact O-N 2.94Å; N677-K679 PolarHBondContact OD1-N 2.89Å; N677-V682 HydrophobicContact CB-CG2 4.04Å; N677-V682 WeakPolarHBondContact ND2-CG2 3.21Å | ||
| 678 | K | 89.3 | Confident | 88.3 | Confident | 215 Ų | 215 | 74.2 Ų | 74.2 | 94% | 0.935 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -66.3 | -29.7 | 174.1 | -65.6 | -172.5 | 179.7 | -178.4 | 0 | 112 | ||
| 679 | K | 89.9 | Confident | 87.2 | Confident | 147 Ų | 147 | 81 Ų | 81 | 64% | 0.639 | 40% | 0.397 | S | S | * | . | trans | -99 | 135.9 | 178.3 | -63.5 | -176.9 | 179.3 | -178.9 | 0 | 110 | Y599 N677 V682 | Y599-K679 WeakPolarHBondContact CD1-O 3.35Å; Y599-K679 WeakPolarHBondContact CE1-O 3.3Å; N677-K679 VanDerWaalsContact C-N 3.27Å; N677-K679 PolarHBondContact O-N 2.94Å; N677-K679 PolarHBondContact OD1-N 2.89Å; K679-V682 VanDerWaalsContact O-CG2 3.31Å; K679-V682 WeakPolarHBondContact O-CG2 3.36Å | ||
| 680 | L | 90.8 | Very high | 86.1 | Confident | 115 Ų | 115 | 85 Ų | 85 | 60% | 0.602 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -75 | -32.6 | 173.8 | -66.4 | 176.2 | 0 | 0 | 0 | 112.3 | Y599 T600 | Y599-L680 CarbonylContact C-O 3.42Å; Y599-L680 VanDerWaalsContact CA-O 3.29Å; Y599-L680 WeakPolarHBondContact CA-O 3.42Å; Y599-L680 HydrophobicContact CD1-CD2 4.37Å; Y599-L680 HydrophobicContact CE1-CD2 4.19Å; T600-L680 PolarHBondContact N-O 3.35Å |
| 681 | R | 92.9 | Very high | 85 | Confident | 144 Ų | 144 | 85 Ų | 85 | 54% | 0.543 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 117.2 | 171.4 | -166 | 175.2 | -171.9 | -179.9 | 3.7 | 109.2 | E589 T600 Q602 | E589-R681 IonicContact OE1-CZ 3.19Å; E589-R681 VanDerWaalsContact OE1-CZ 3.31Å; E589-R681 IonicContact OE1-NE 3.67Å; E589-R681 PolarHBondContact OE1-NE 3.47Å; E589-R681 IonicContact OE1-NH2 2.77Å; E589-R681 PolarHBondContact OE1-NH2 2.94Å; E589-R681 IonicContact OE2-NH2 3.65Å; E589-R681 PolarHBondContact OE2-NH2 3.39Å; T600-R681 HydrophobicContact CG2-CG 4.29Å; T600-R681 CarbonylContact O-C 3.35Å; T600-R681 WeakPolarHBondContact O-CA 3.46Å; Q602-R681 HydrophobicContact CG-CG 4.48Å |
| 682 | V | 92.3 | Very high | 84 | Confident | 16 Ų | 16 | 88.8 Ų | 88.8 | 10% | 0.097 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 126.2 | -172.7 | -174.9 | 0 | 0 | 0 | 0 | 108.8 | Y599 T600 L601 Q602 N677 K679 I684 | Y599-V682 HydrophobicContact CD1-CG2 4.45Å; T600-V682 PolarHBondContact O-N 3.1Å; L601-V682 CarbonylContact C-O 3.58Å; L601-V682 WeakPolarHBondContact CA-O 3.47Å; L601-V682 HydrophobicContact CD2-CB 4.05Å; Q602-V682 PolarHBondContact N-O 3.45Å; N677-V682 HydrophobicContact CB-CG2 4.04Å; N677-V682 WeakPolarHBondContact ND2-CG2 3.21Å; K679-V682 VanDerWaalsContact O-CG2 3.31Å; K679-V682 WeakPolarHBondContact O-CG2 3.36Å; V682-I684 HydrophobicContact CG1-CG2 4.05Å |
| 683 | N | 90.1 | Very high | 83.1 | Confident | 92 Ų | 92 | 92.5 Ų | 92.5 | 49% | 0.492 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 114.2 | 172.7 | -176 | 17.9 | 0 | 0 | 0 | 109.8 | Q602 N685 | Q602-N683 HydrophobicContact CB-CB 4.34Å; Q602-N683 PolarHBondContact O-OD1 2.94Å; N683-N685 WeakPolarHBondContact OD1-CB 3.18Å; N683-N685 PolarHBondContact OD1-N 3.42Å |
| 684 | I | 91.4 | Very high | 82.6 | Confident | 5 Ų | 5 | 93.6 Ų | 93.6 | 3% | 0.026 | 46% | 0.458 | C | S | . | . | trans | -105.4 | -6.4 | 175.7 | 61.6 | 168.4 | 0 | 0 | 0 | 112.2 | L601 Q602 A603 Q607 L611 L643 L648 V682 V686 | L601-I684 HydrophobicContact CB-CD1 4.21Å; L601-I684 HydrophobicContact CB-CG1 4.47Å; L601-I684 HydrophobicContact CD1-CD1 4.33Å; Q602-I684 WeakPolarHBondContact O-CG1 3.44Å; Q602-I684 PolarHBondContact O-N 3.36Å; A603-I684 HydrophobicContact CB-CD1 3.89Å; A603-I684 HydrophobicContact CB-CG1 3.94Å; Q607-I684 PolarHBondContact NE2-O 2.95Å; Q607-I684 PolarHBondContact OE1-O 3.44Å; L611-I684 HydrophobicContact CD1-CD1 3.93Å; L643-I684 HydrophobicContact CD2-CD1 3.91Å; L648-I684 HydrophobicContact CD1-CD1 3.8Å; L648-I684 HydrophobicContact CD1-CG2 4.08Å; V682-I684 HydrophobicContact CG1-CG2 4.05Å; I684-V686 PolarHBondContact O-N 3.3Å | ||
| 685 | N | 88.3 | Confident | 82.1 | Confident | 44 Ų | 44 | 93.9 Ų | 93.9 | 24% | 0.235 | 45% | 0.448 | C | S | . | . | trans | -75.3 | 74.8 | 173.7 | -171.3 | 5.5 | 0 | 0 | 0 | 110.6 | Q602 N683 | Q602-N685 PolarHBondContact O-N 3.3Å; Q602-N685 VanDerWaalsContact O-N 3.08Å; N683-N685 WeakPolarHBondContact OD1-CB 3.18Å; N683-N685 PolarHBondContact OD1-N 3.42Å | ||
| 686 | V | 83.1 | Confident | 81.6 | Confident | 79 Ų | 79 | 95.7 Ų | 95.7 | 48% | 0.479 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -95.7 | 132.1 | 176.8 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | I684 | I684-V686 PolarHBondContact O-N 3.3Š|
| 687 | P | 74.9 | Confident | 81.3 | Confident | 86 Ų | 86 | 91.9 Ų | 91.9 | 56% | 0.558 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 139.5 | 179.8 | 24.9 | -33.4 | 0 | 0 | 0 | 111.9 | ||
| 688 | M | 76.8 | Confident | 81.1 | Confident | 27 Ų | 27 | 91.1 Ų | 91.1 | 13% | 0.133 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 132.9 | -178.5 | -72.6 | -179.9 | -88.5 | 0 | 0 | 111.5 | I635 Q638 V639 I642 E691 Q692 | I635-M688 HydrophobicContact CG2-CE 4.22Å; I635-M688 HydrophobicContact CG2-SD 4.4Å; Q638-M688 HydrophobicContact CB-CG 4.14Å; Q638-M688 HydrophobicContact CB-SD 3.61Å; V639-M688 HydrophobicContact CG2-SD 4.31Å; I642-M688 HydrophobicContact CD1-CG 3.98Å; M688-E691 HydrophobicContact CB-CB 3.89Å; M688-Q692 PolarHBondContact O-N 3.23Å |
| 689 | K | 68.1 | Low | 80.9 | Confident | 180 Ų | 180 | 81.2 Ų | 81.2 | 78% | 0.783 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -68.2 | -44.6 | -175.8 | -72.2 | -176.2 | -179.9 | 177.9 | 0 | 112.8 | E691 Q692 | K689-E691 VanDerWaalsContact C-N 3.32Å; K689-E691 PolarHBondContact O-N 2.77Å; K689-Q692 PolarHBondContact O-N 3.01Å |
| 690 | T | 67.9 | Low | 80.6 | Confident | 86 Ų | 86 | 76.6 Ų | 76.6 | 53% | 0.528 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.1 | -38.2 | -178 | -47.3 | 0 | 0 | 0 | 0 | 111.2 | Q692 K693 Q694 | T690-Q692 VanDerWaalsContact C-N 3.35Å; T690-Q692 PolarHBondContact O-N 3.16Å; T690-K693 PolarHBondContact O-N 3.19Å; T690-Q694 PolarHBondContact O-N 3.42Å; T690-Q694 VanDerWaalsContact O-N 3.12Å |
| 691 | E | 69 | Low | 80.4 | Confident | 75 Ų | 75 | 77.3 Ų | 77.3 | 35% | 0.35 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -57.3 | -46.1 | 174.9 | -170.8 | -177.1 | -171.3 | 0 | 0 | 111.2 | M688 K689 K693 Q694 E695 | M688-E691 HydrophobicContact CB-CB 3.89Å; K689-E691 VanDerWaalsContact C-N 3.32Å; K689-E691 PolarHBondContact O-N 2.77Å; E691-K693 VanDerWaalsContact C-N 3.32Å; E691-K693 PolarHBondContact O-N 3.11Å; E691-Q694 PolarHBondContact O-N 3.05Å; E691-E695 WeakPolarHBondContact O-CB 3.4Å; E691-E695 PolarHBondContact O-N 3.38Å |
| 692 | Q | 70.8 | Confident | 80.1 | Confident | 103 Ų | 103 | 72.1 Ų | 72.1 | 48% | 0.481 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.6 | -39.5 | -179.6 | -69.8 | 178.1 | 6.2 | 0 | 0 | 113.5 | M688 K689 T690 Q696 | M688-Q692 PolarHBondContact O-N 3.23Å; K689-Q692 PolarHBondContact O-N 3.01Å; T690-Q692 VanDerWaalsContact C-N 3.35Å; T690-Q692 PolarHBondContact O-N 3.16Å; Q692-Q696 PolarHBondContact O-N 3.36Å; Q692-Q696 VanDerWaalsContact O-N 3.15Å |
| 693 | K | 72.9 | Confident | 79.9 | Confident | 139 Ų | 139 | 71.7 Ų | 71.7 | 60% | 0.604 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -70.3 | -48.2 | 179.4 | -169.6 | 179.9 | 177.4 | -176.2 | 0 | 111.2 | T690 E691 E695 Q696 E697 | T690-K693 PolarHBondContact O-N 3.19Å; E691-K693 VanDerWaalsContact C-N 3.32Å; E691-K693 PolarHBondContact O-N 3.11Å; K693-E695 VanDerWaalsContact C-N 3.27Å; K693-E695 PolarHBondContact O-N 2.94Å; K693-Q696 WeakPolarHBondContact O-CB 3.4Å; K693-Q696 PolarHBondContact O-N 3.3Å; K693-Q696 VanDerWaalsContact O-N 3.16Å; K693-E697 PolarHBondContact O-N 3.14Å; K693-E697 VanDerWaalsContact O-N 3.13Å |
| 694 | Q | 75.8 | Confident | 79.8 | Confident | 123 Ų | 123 | 73.1 Ų | 73.1 | 58% | 0.575 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.1 | -38 | 177.5 | -172.3 | 178.1 | 13.2 | 0 | 0 | 112 | T690 E691 Q696 T698 | T690-Q694 PolarHBondContact O-N 3.42Å; T690-Q694 VanDerWaalsContact O-N 3.12Å; E691-Q694 PolarHBondContact O-N 3.05Å; Q694-Q696 VanDerWaalsContact C-N 3.34Å; Q694-T698 WeakPolarHBondContact O-CB 3.38Å; Q694-T698 PolarHBondContact O-N 3.16Å; Q694-T698 PolarHBondContact O-OG1 3.03Å |
| 695 | E | 76 | Confident | 79.6 | Confident | 49 Ų | 49 | 78.2 Ų | 78.2 | 23% | 0.229 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -68.4 | -34.6 | 178.9 | -150.9 | -158.5 | 163.6 | 0 | 0 | 111.5 | K468 K472 E691 K693 T699 | K468-E695 HydrophobicContact CD-CG 4.41Å; K468-E695 VanDerWaalsContact CD-OE1 3.23Å; K468-E695 WeakPolarHBondContact CD-OE1 3.43Å; K468-E695 WeakPolarHBondContact CE-OE1 3.33Å; K468-E695 PolarHBondContact NZ-O 2.82Å; K468-E695 IonicContact NZ-OE1 3.62Å; K468-E695 PolarHBondContact NZ-OE1 2.75Å; K468-E695 VanDerWaalsContact NZ-OE1 3.17Å; K468-E695 IonicContact NZ-OE2 2.97Å; K468-E695 PolarHBondContact NZ-OE2 3.25Å; K472-E695 WeakPolarHBondContact CE-OE1 3.32Å; K472-E695 IonicContact NZ-OE1 2.84Å; K472-E695 PolarHBondContact NZ-OE1 3.29Å; K472-E695 IonicContact NZ-OE2 3.69Å; K472-E695 PolarHBondContact NZ-OE2 3.03Å; E691-E695 WeakPolarHBondContact O-CB 3.4Å; E691-E695 PolarHBondContact O-N 3.38Å; K693-E695 VanDerWaalsContact C-N 3.27Å; K693-E695 PolarHBondContact O-N 2.94Å; E695-T699 WeakPolarHBondContact O-CB 3.35Å; E695-T699 PolarHBondContact O-N 3.36Å; E695-T699 PolarHBondContact O-OG1 3.43Å |
| 696 | Q | 77.9 | Confident | 79.6 | Confident | 47 Ų | 47 | 79.8 Ų | 79.8 | 22% | 0.22 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.6 | -47.5 | 175.9 | -178.3 | 174.8 | -1.8 | 0 | 0 | 111.4 | E420 F465 Q692 K693 Q694 T698 T699 H700 | E420-Q696 PolarHBondContact OE1-NE2 3.09Å; E420-Q696 PolarHBondContact OE2-NE2 2.98Å; F465-Q696 HydrophobicContact CE1-CG 4.2Å; F465-Q696 HydrophobicContact CZ-CG 4.29Å; Q692-Q696 PolarHBondContact O-N 3.36Å; Q692-Q696 VanDerWaalsContact O-N 3.15Å; K693-Q696 WeakPolarHBondContact O-CB 3.4Å; K693-Q696 PolarHBondContact O-N 3.3Å; K693-Q696 VanDerWaalsContact O-N 3.16Å; Q694-Q696 VanDerWaalsContact C-N 3.34Å; Q696-T698 PolarHBondContact O-N 3.14Å; Q696-T699 WeakPolarHBondContact O-CB 3.39Å; Q696-T699 PolarHBondContact O-N 2.95Å; Q696-T699 VanDerWaalsContact O-N 3.13Å; Q696-H700 PolarHBondContact O-CD2 2.79Å; Q696-H700 PolarHBondContact O-N 2.81Å; Q696-H700 VanDerWaalsContact O-N 3.1Å |
| 697 | E | 80.4 | Confident | 80.1 | Confident | 99 Ų | 99 | 77.7 Ų | 77.7 | 46% | 0.463 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 176.8 | -69.3 | 175.2 | -167.8 | 0 | 0 | 111.7 | K693 T699 H700 K701 | K693-E697 PolarHBondContact O-N 3.14Å; K693-E697 VanDerWaalsContact O-N 3.13Å; E697-T699 VanDerWaalsContact C-N 3.26Å; E697-T699 PolarHBondContact O-N 2.94Å; E697-H700 PolarHBondContact O-N 3.48Å; E697-K701 WeakPolarHBondContact O-CG 3.27Å; E697-K701 PolarHBondContact O-N 3.41Å |
| 698 | T | 83.7 | Confident | 80.8 | Confident | 43 Ų | 43 | 78.2 Ų | 78.2 | 26% | 0.264 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.9 | -35.7 | 175 | -54.6 | 0 | 0 | 0 | 0 | 111.7 | Q694 Q696 K701 N702 | Q694-T698 WeakPolarHBondContact O-CB 3.38Å; Q694-T698 PolarHBondContact O-N 3.16Å; Q694-T698 PolarHBondContact O-OG1 3.03Å; Q696-T698 PolarHBondContact O-N 3.14Å; T698-K701 PolarHBondContact O-N 3.14Å; T698-N702 WeakPolarHBondContact O-CB 3.03Å; T698-N702 PolarHBondContact O-N 3.18Å; T698-N702 PolarHBondContact O-ND2 3.01Å; T698-N702 VanDerWaalsContact O-ND2 3.14Å |
| 699 | T | 85 | Confident | 81.5 | Confident | 6 Ų | 6 | 82 Ų | 82 | 4% | 0.037 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.9 | -44.9 | 176.4 | -55.9 | 0 | 0 | 0 | 0 | 110.9 | K464 F465 K468 E695 Q696 E697 N702 I703 | K464-T699 HydrophobicContact CB-CG2 4.45Å; K464-T699 HydrophobicContact CD-CG2 4.23Å; F465-T699 HydrophobicContact CD1-CG2 4.23Å; F465-T699 HydrophobicContact CD2-CG2 4.36Å; F465-T699 HydrophobicContact CE1-CG2 3.93Å; F465-T699 HydrophobicContact CE2-CG2 4.05Å; F465-T699 HydrophobicContact CG-CG2 4.43Å; F465-T699 HydrophobicContact CZ-CG2 3.81Å; K468-T699 PolarHBondContact NZ-OG1 2.93Å; E695-T699 WeakPolarHBondContact O-CB 3.35Å; E695-T699 PolarHBondContact O-N 3.36Å; E695-T699 PolarHBondContact O-OG1 3.43Å; Q696-T699 WeakPolarHBondContact O-CB 3.39Å; Q696-T699 PolarHBondContact O-N 2.95Å; Q696-T699 VanDerWaalsContact O-N 3.13Å; E697-T699 VanDerWaalsContact C-N 3.26Å; E697-T699 PolarHBondContact O-N 2.94Å; T699-N702 PolarHBondContact O-N 3.04Å; T699-I703 HydrophobicContact CG2-CD1 4.16Å; T699-I703 WeakPolarHBondContact O-CD1 3.45Å; T699-I703 VanDerWaalsContact O-CG1 3.29Å; T699-I703 WeakPolarHBondContact O-CG1 3.26Å; T699-I703 PolarHBondContact O-N 3.28Å; T699-I703 VanDerWaalsContact O-N 3.09Å |
| 700 | H | 85 | Confident | 82.6 | Confident | 50 Ų | 50 | 76.7 Ų | 76.7 | 23% | 0.231 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 176.7 | -79.3 | -66.9 | 0 | 0 | 0 | 112.3 | E420 F465 Q696 E697 N702 I703 E704 | E420-H700 IonicContact OE2-CE1 2.74Å; E420-H700 IonicContact OE2-NE2 3.29Å; E420-H700 PolarHBondContact OE2-NE2 3.03Å; F465-H700 AromaticContact CE2-CE1 3.64Å; F465-H700 AromaticContact CE2-NE2 3.77Å; F465-H700 AromaticContact CZ-CD2 3.83Å; F465-H700 AromaticContact CZ-CE1 3.8Å; F465-H700 AromaticContact CZ-NE2 3.43Å; F465-H700 WeakPolarHBondContact CZ-NE2 3.34Å; Q696-H700 PolarHBondContact O-CD2 2.79Å; Q696-H700 PolarHBondContact O-N 2.81Å; Q696-H700 VanDerWaalsContact O-N 3.1Å; E697-H700 PolarHBondContact O-N 3.48Å; H700-N702 PolarHBondContact O-N 3.2Å; H700-I703 WeakPolarHBondContact O-CB 3.06Å; H700-I703 PolarHBondContact O-N 3.02Å; H700-I703 VanDerWaalsContact O-N 3.17Å; H700-E704 PolarHBondContact O-N 2.64Å; H700-E704 VanDerWaalsContact O-N 3.14Å |
| 701 | K | 86.1 | Confident | 83.9 | Confident | 130 Ų | 130 | 72.7 Ų | 72.7 | 57% | 0.565 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -57.7 | -46.9 | 175.7 | -71.4 | 178.6 | -178.7 | 176.6 | 0 | 112.3 | E697 T698 I703 E704 E705 | E697-K701 WeakPolarHBondContact O-CG 3.27Å; E697-K701 PolarHBondContact O-N 3.41Å; T698-K701 PolarHBondContact O-N 3.14Å; K701-I703 VanDerWaalsContact C-N 3.3Å; K701-I703 PolarHBondContact O-N 3.38Å; K701-E704 PolarHBondContact O-N 2.7Å; K701-E705 PolarHBondContact O-N 3.27Å; K701-E705 VanDerWaalsContact O-N 3.08Å |
| 702 | N | 86.8 | Confident | 85.1 | Confident | 36 Ų | 36 | 70.1 Ų | 70.1 | 19% | 0.193 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.4 | -39 | 177.7 | -70.5 | -24 | 0 | 0 | 0 | 112.1 | T698 T699 H700 E705 D706 | T698-N702 WeakPolarHBondContact O-CB 3.03Å; T698-N702 PolarHBondContact O-N 3.18Å; T698-N702 PolarHBondContact O-ND2 3.01Å; T698-N702 VanDerWaalsContact O-ND2 3.14Å; T699-N702 PolarHBondContact O-N 3.04Å; H700-N702 PolarHBondContact O-N 3.2Å; N702-E705 PolarHBondContact O-N 3.46Å; N702-D706 WeakPolarHBondContact O-CB 3.41Å; N702-D706 VanDerWaalsContact O-CG 3.26Å; N702-D706 PolarHBondContact O-N 3.21Å |
| 703 | I | 88.8 | Confident | 86.1 | Confident | 7 Ų | 7 | 67.5 Ų | 67.5 | 4% | 0.036 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62 | -44.5 | 176.7 | -68.3 | 159.3 | 0 | 0 | 0 | 110.6 | V461 K464 F465 T699 H700 K701 E705 D706 R707 | V461-I703 HydrophobicContact CB-CD1 4.43Å; V461-I703 HydrophobicContact CG1-CD1 4.28Å; V461-I703 HydrophobicContact CG2-CD1 4.34Å; V461-I703 HydrophobicContact CG2-CG2 4.13Å; K464-I703 HydrophobicContact CB-CD1 3.86Å; K464-I703 HydrophobicContact CB-CG1 3.79Å; K464-I703 HydrophobicContact CG-CD1 4.37Å; K464-I703 HydrophobicContact CG-CG1 3.77Å; F465-I703 HydrophobicContact CD2-CD1 4.44Å; F465-I703 HydrophobicContact CE2-CD1 4.09Å; T699-I703 HydrophobicContact CG2-CD1 4.16Å; T699-I703 WeakPolarHBondContact O-CD1 3.45Å; T699-I703 VanDerWaalsContact O-CG1 3.29Å; T699-I703 WeakPolarHBondContact O-CG1 3.26Å; T699-I703 PolarHBondContact O-N 3.28Å; T699-I703 VanDerWaalsContact O-N 3.09Å; H700-I703 WeakPolarHBondContact O-CB 3.06Å; H700-I703 PolarHBondContact O-N 3.02Å; H700-I703 VanDerWaalsContact O-N 3.17Å; K701-I703 VanDerWaalsContact C-N 3.3Å; K701-I703 PolarHBondContact O-N 3.38Å; I703-E705 VanDerWaalsContact C-N 3.34Å; I703-E705 PolarHBondContact O-N 3.23Å; I703-D706 PolarHBondContact O-N 2.76Å; I703-R707 HydrophobicContact CG2-CG 4.42Å; I703-R707 WeakPolarHBondContact O-CB 3.36Å; I703-R707 VanDerWaalsContact O-CG 3.25Å; I703-R707 WeakPolarHBondContact O-CG 3.48Å; I703-R707 PolarHBondContact O-N 3.14Å |
| 704 | E | 86.6 | Confident | 87.1 | Confident | 122 Ų | 122 | 61 Ų | 61 | 57% | 0.57 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -64.6 | -37.8 | 179 | -67.3 | -169.6 | 165.9 | 0 | 0 | 112.9 | H700 K701 K708 | H700-E704 PolarHBondContact O-N 2.64Å; H700-E704 VanDerWaalsContact O-N 3.14Å; K701-E704 PolarHBondContact O-N 2.7Å; E704-K708 WeakPolarHBondContact O-CG 3.39Å; E704-K708 PolarHBondContact O-N 2.98Å |
| 705 | E | 88.1 | Confident | 88.1 | Confident | 112 Ų | 112 | 55.1 Ų | 55.1 | 52% | 0.523 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.8 | -46.7 | 174.4 | -69.9 | -178.8 | 176.7 | 0 | 0 | 111.8 | K701 N702 I703 R707 K708 L709 | K701-E705 PolarHBondContact O-N 3.27Å; K701-E705 VanDerWaalsContact O-N 3.08Å; N702-E705 PolarHBondContact O-N 3.46Å; I703-E705 VanDerWaalsContact C-N 3.34Å; I703-E705 PolarHBondContact O-N 3.23Å; E705-R707 VanDerWaalsContact C-N 3.28Å; E705-R707 PolarHBondContact O-N 3.44Å; E705-K708 WeakPolarHBondContact O-CB 3.34Å; E705-K708 PolarHBondContact O-N 3.43Å; E705-K708 VanDerWaalsContact O-N 3.11Å; E705-L709 PolarHBondContact O-N 3.11Å; E705-L709 VanDerWaalsContact O-N 3.1Å |
| 706 | D | 88.7 | Confident | 89 | Confident | 77 Ų | 77 | 54.2 Ų | 54.2 | 41% | 0.412 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.7 | -42 | 176 | -76.5 | -17.7 | 0 | 0 | 0 | 111 | N702 I703 K708 L709 L710 | N702-D706 WeakPolarHBondContact O-CB 3.41Å; N702-D706 VanDerWaalsContact O-CG 3.26Å; N702-D706 PolarHBondContact O-N 3.21Å; I703-D706 PolarHBondContact O-N 2.76Å; D706-K708 PolarHBondContact O-N 2.92Å; D706-L709 PolarHBondContact O-N 2.9Å; D706-L710 WeakPolarHBondContact O-CB 3.46Å; D706-L710 VanDerWaalsContact O-CG 3.31Å; D706-L710 WeakPolarHBondContact O-CG 3.44Å; D706-L710 PolarHBondContact O-N 2.91Å |
| 707 | R | 91.7 | Very high | 89.7 | Confident | 35 Ų | 35 | 59.4 Ų | 59.4 | 13% | 0.132 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 175.3 | -75.6 | 172.8 | 174.4 | -159.1 | -12.8 | 112.1 | D458 D460 I703 E705 L709 L710 I711 F742 | D458-R707 IonicContact OD1-CZ 3Å; D458-R707 IonicContact OD1-NH1 3.73Å; D458-R707 IonicContact OD1-NH2 2.91Å; D458-R707 PolarHBondContact OD1-NH2 3.31Å; D458-R707 IonicContact OD2-NH2 3.73Å; D460-R707 IonicContact OD1-CZ 2.77Å; D460-R707 IonicContact OD1-NE 3.83Å; D460-R707 IonicContact OD1-NH2 3.86Å; D460-R707 PolarHBondContact OD1-NH2 2.94Å; D460-R707 WeakPolarHBondContact OD2-CG 3.38Å; D460-R707 IonicContact OD2-CZ 2.68Å; D460-R707 IonicContact OD2-NE 3.76Å; D460-R707 PolarHBondContact OD2-NE 3.19Å; D460-R707 IonicContact OD2-NH2 2.81Å; D460-R707 PolarHBondContact OD2-NH2 3.44Å; I703-R707 HydrophobicContact CG2-CG 4.42Å; I703-R707 WeakPolarHBondContact O-CB 3.36Å; I703-R707 VanDerWaalsContact O-CG 3.25Å; I703-R707 WeakPolarHBondContact O-CG 3.48Å; I703-R707 PolarHBondContact O-N 3.14Å; E705-R707 VanDerWaalsContact C-N 3.28Å; E705-R707 PolarHBondContact O-N 3.44Å; R707-L709 VanDerWaalsContact C-N 3.34Å; R707-L709 PolarHBondContact O-N 3.27Å; R707-L710 PolarHBondContact O-N 3.36Å; R707-I711 WeakPolarHBondContact O-CB 3.38Å; R707-I711 WeakPolarHBondContact O-CD1 3.35Å; R707-I711 WeakPolarHBondContact O-CG1 3.46Å; R707-I711 PolarHBondContact O-N 3.39Å; R707-F742 HydrophobicContact CB-CE1 4.49Å; R707-F742 HydrophobicContact CB-CE2 4.12Å; R707-F742 HydrophobicContact CB-CZ 3.91Å; R707-F742 HydrophobicContact CG-CD1 4.25Å; R707-F742 HydrophobicContact CG-CD2 4.16Å; R707-F742 HydrophobicContact CG-CE1 3.95Å; R707-F742 HydrophobicContact CG-CE2 3.83Å; R707-F742 HydrophobicContact CG-CG 4.37Å; R707-F742 HydrophobicContact CG-CZ 3.72Å |
| 708 | K | 91 | Very high | 90.4 | Very high | 97 Ų | 97 | 55.1 Ų | 55.1 | 42% | 0.422 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 177.9 | -71.4 | 170.1 | -172.2 | 169 | 0 | 111.4 | E704 E705 D706 Q712 V748 | E704-K708 WeakPolarHBondContact O-CG 3.39Å; E704-K708 PolarHBondContact O-N 2.98Å; E705-K708 WeakPolarHBondContact O-CB 3.34Å; E705-K708 PolarHBondContact O-N 3.43Å; E705-K708 VanDerWaalsContact O-N 3.11Å; D706-K708 PolarHBondContact O-N 2.92Å; K708-Q712 WeakPolarHBondContact O-CG 3.4Å; K708-Q712 PolarHBondContact O-N 3.11Å; K708-V748 HydrophobicContact CG-CG1 4.36Å |
| 709 | L | 91.7 | Very high | 90.9 | Very high | 106 Ų | 106 | 53.1 Ų | 53.1 | 56% | 0.555 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -66.8 | -42.6 | 178.3 | -67.5 | 174.8 | 0 | 0 | 0 | 111.7 | E705 D706 R707 Q712 A713 | E705-L709 PolarHBondContact O-N 3.11Å; E705-L709 VanDerWaalsContact O-N 3.1Å; D706-L709 PolarHBondContact O-N 2.9Å; R707-L709 VanDerWaalsContact C-N 3.34Å; R707-L709 PolarHBondContact O-N 3.27Å; L709-Q712 PolarHBondContact O-N 3.38Å; L709-A713 WeakPolarHBondContact O-CB 3.41Å; L709-A713 PolarHBondContact O-N 3.29Å |
| 710 | L | 91.1 | Very high | 91.4 | Very high | 68 Ų | 68 | 58.8 Ų | 58.8 | 36% | 0.356 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 176.8 | -74.3 | 172.6 | 0 | 0 | 0 | 112.3 | D706 R707 A713 A714 F742 | D706-L710 WeakPolarHBondContact O-CB 3.46Å; D706-L710 VanDerWaalsContact O-CG 3.31Å; D706-L710 WeakPolarHBondContact O-CG 3.44Å; D706-L710 PolarHBondContact O-N 2.91Å; R707-L710 PolarHBondContact O-N 3.36Å; L710-A713 PolarHBondContact O-N 2.91Å; L710-A714 WeakPolarHBondContact O-CB 3.42Å; L710-A714 PolarHBondContact O-N 3.47Å; L710-F742 HydrophobicContact CD1-CE1 4.35Å |
| 711 | I | 94.3 | Very high | 91.8 | Very high | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.8 | -47 | 175.1 | -68.1 | 162.5 | 0 | 0 | 0 | 110.3 | R707 A713 A714 I715 V734 L738 F742 P744 V748 I749 C752 | R707-I711 WeakPolarHBondContact O-CB 3.38Å; R707-I711 WeakPolarHBondContact O-CD1 3.35Å; R707-I711 WeakPolarHBondContact O-CG1 3.46Å; R707-I711 PolarHBondContact O-N 3.39Å; I711-A713 PolarHBondContact O-N 3.1Å; I711-A714 PolarHBondContact O-N 3.11Å; I711-I715 HydrophobicContact CG2-CD1 3.7Å; I711-I715 HydrophobicContact CG2-CG1 4.35Å; I711-I715 VanDerWaalsContact O-CG1 3.28Å; I711-I715 WeakPolarHBondContact O-CG1 3.4Å; I711-I715 PolarHBondContact O-N 3.37Å; I711-V734 HydrophobicContact CG2-CG1 4.48Å; I711-L738 HydrophobicContact CB-CD1 4.38Å; I711-L738 HydrophobicContact CG1-CD1 3.63Å; I711-F742 HydrophobicContact CD1-CE2 4.15Å; I711-F742 HydrophobicContact CD1-CZ 4.2Å; I711-F742 HydrophobicContact CG1-CE2 4.35Å; I711-F742 HydrophobicContact CG1-CZ 3.99Å; I711-P744 HydrophobicContact CD1-CB 4.02Å; I711-P744 HydrophobicContact CG1-CB 4.34Å; I711-V748 HydrophobicContact CD1-CB 4.49Å; I711-V748 HydrophobicContact CD1-CG1 3.76Å; I711-I749 HydrophobicContact CG2-CG1 4.31Å; I711-I749 HydrophobicContact CG2-CG2 4.44Å; I711-C752 HydrophobicContact CG2-CB 3.76Å |
| 712 | Q | 93.9 | Very high | 92.1 | Very high | 22 Ų | 22 | 62.6 Ų | 62.6 | 10% | 0.103 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.7 | -48.3 | 176.4 | -75.9 | 173.6 | 51.1 | 0 | 0 | 111.5 | K708 L709 A714 I715 V716 C752 L756 | K708-Q712 WeakPolarHBondContact O-CG 3.4Å; K708-Q712 PolarHBondContact O-N 3.11Å; L709-Q712 PolarHBondContact O-N 3.38Å; Q712-A714 VanDerWaalsContact C-N 3.33Å; Q712-A714 PolarHBondContact O-N 3.31Å; Q712-I715 PolarHBondContact O-N 2.9Å; Q712-V716 WeakPolarHBondContact O-CG2 3.28Å; Q712-V716 PolarHBondContact O-N 2.9Å; Q712-C752 HydrophobicContact CG-CB 3.88Å; Q712-L756 HydrophobicContact CB-CD1 4.38Å; Q712-L756 HydrophobicContact CB-CD2 4.27Å; Q712-L756 HydrophobicContact CB-CG 4.47Å; Q712-L756 HydrophobicContact CG-CD1 4.43Å; Q712-L756 HydrophobicContact CG-CD2 4.37Å; Q712-L756 HydrophobicContact CG-CG 4.23Å |
| 713 | A | 93.4 | Very high | 92.4 | Very high | 47 Ų | 47 | 66 Ų | 66 | 39% | 0.388 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.3 | -37.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L709 L710 I711 R717 | L709-A713 WeakPolarHBondContact O-CB 3.41Å; L709-A713 PolarHBondContact O-N 3.29Å; L710-A713 PolarHBondContact O-N 2.91Å; I711-A713 PolarHBondContact O-N 3.1Å; A713-R717 WeakPolarHBondContact O-CB 3.37Å; A713-R717 PolarHBondContact O-N 3.35Å |
| 714 | A | 94 | Very high | 92.6 | Very high | 3 Ų | 3 | 69.4 Ų | 69.4 | 3% | 0.025 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.3 | -48.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L710 I711 Q712 V716 R717 I718 L738 | L710-A714 WeakPolarHBondContact O-CB 3.42Å; L710-A714 PolarHBondContact O-N 3.47Å; I711-A714 PolarHBondContact O-N 3.11Å; Q712-A714 VanDerWaalsContact C-N 3.33Å; Q712-A714 PolarHBondContact O-N 3.31Å; A714-V716 PolarHBondContact O-N 3.02Å; A714-R717 PolarHBondContact O-N 3.47Å; A714-I718 WeakPolarHBondContact O-CG1 3.33Å; A714-I718 PolarHBondContact O-N 3.09Å; A714-L738 HydrophobicContact CB-CD1 4.31Å; A714-L738 HydrophobicContact CB-CD2 4.23Å; A714-L738 HydrophobicContact CB-CG 4.32Å |
| 715 | I | 95 | Very high | 93 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57 | -50.3 | 176.6 | -67.1 | 161.7 | 0 | 0 | 0 | 110.4 | I711 Q712 R717 I718 M719 L730 V734 I749 C752 I753 L756 L762 | I711-I715 HydrophobicContact CG2-CD1 3.7Å; I711-I715 HydrophobicContact CG2-CG1 4.35Å; I711-I715 VanDerWaalsContact O-CG1 3.28Å; I711-I715 WeakPolarHBondContact O-CG1 3.4Å; I711-I715 PolarHBondContact O-N 3.37Å; Q712-I715 PolarHBondContact O-N 2.9Å; I715-R717 VanDerWaalsContact C-N 3.3Å; I715-R717 PolarHBondContact O-N 2.93Å; I715-I718 PolarHBondContact O-N 2.9Å; I715-M719 HydrophobicContact CG2-CG 4.16Å; I715-M719 WeakPolarHBondContact O-CB 3.33Å; I715-M719 WeakPolarHBondContact O-CG 3.44Å; I715-M719 PolarHBondContact O-N 3.26Å; I715-L730 HydrophobicContact CG2-CD1 4.38Å; I715-L730 HydrophobicContact CG2-CD2 4.26Å; I715-V734 HydrophobicContact CG1-CG2 3.7Å; I715-I749 HydrophobicContact CD1-CG2 4.17Å; I715-C752 HydrophobicContact CD1-CB 3.87Å; I715-I753 HydrophobicContact CD1-CG1 3.91Å; I715-L756 HydrophobicContact CB-CD1 3.68Å; I715-L756 HydrophobicContact CD1-CD1 4.07Å; I715-L756 HydrophobicContact CG2-CD1 3.5Å; I715-L762 HydrophobicContact CG2-CD1 3.73Å |
| 716 | V | 95.1 | Very high | 93.3 | Very high | 29 Ų | 29 | 64.4 Ų | 64.4 | 18% | 0.176 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.1 | -42.2 | 179.5 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | Q712 A714 K720 L756 Y761 Y774 | Q712-V716 WeakPolarHBondContact O-CG2 3.28Å; Q712-V716 PolarHBondContact O-N 2.9Å; A714-V716 PolarHBondContact O-N 3.02Å; V716-K720 WeakPolarHBondContact O-CB 3.31Å; V716-K720 PolarHBondContact O-N 3.45Å; V716-L756 HydrophobicContact CG2-CD1 3.92Å; V716-L756 HydrophobicContact CG2-CD2 3.59Å; V716-L756 HydrophobicContact CG2-CG 4.39Å; V716-Y761 HydrophobicContact CG1-CD1 4.31Å; V716-Y761 HydrophobicContact CG2-CD1 4.22Å; V716-Y761 HydrophobicContact CG2-CG 4.22Å; V716-Y774 HydrophobicContact CG1-CE2 4.19Å |
| 717 | R | 94.3 | Very high | 93.5 | Very high | 157 Ų | 157 | 61.7 Ų | 61.7 | 59% | 0.592 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -64 | -44.5 | 178.8 | -167.9 | -175.5 | -53.6 | 158 | 3.9 | 112.3 | A713 A714 I715 M721 | A713-R717 WeakPolarHBondContact O-CB 3.37Å; A713-R717 PolarHBondContact O-N 3.35Å; A714-R717 PolarHBondContact O-N 3.47Å; I715-R717 VanDerWaalsContact C-N 3.3Å; I715-R717 PolarHBondContact O-N 2.93Å; R717-M721 PolarHBondContact O-N 2.9Å |
| 718 | I | 94.5 | Very high | 93.6 | Very high | 9 Ų | 9 | 67 Ų | 67 | 5% | 0.046 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.1 | -51.1 | 177.1 | -71.7 | 161.9 | 0 | 0 | 0 | 110.1 | A714 I715 K720 M721 R722 L725 L730 E733 V734 | A714-I718 WeakPolarHBondContact O-CG1 3.33Å; A714-I718 PolarHBondContact O-N 3.09Å; I715-I718 PolarHBondContact O-N 2.9Å; I718-K720 VanDerWaalsContact C-N 3.35Å; I718-K720 PolarHBondContact O-N 3.41Å; I718-M721 WeakPolarHBondContact O-CB 3.22Å; I718-M721 PolarHBondContact O-N 3.06Å; I718-M721 VanDerWaalsContact O-N 3.08Å; I718-R722 HydrophobicContact CG2-CG 4.28Å; I718-R722 WeakPolarHBondContact O-CG 3.49Å; I718-R722 PolarHBondContact O-N 3.43Å; I718-L725 HydrophobicContact CG2-CD2 3.83Å; I718-L730 HydrophobicContact CB-CD1 4.28Å; I718-L730 HydrophobicContact CG2-CD1 3.73Å; I718-E733 HydrophobicContact CD1-CB 3.81Å; I718-E733 HydrophobicContact CG1-CB 4.39Å; I718-E733 HydrophobicContact CG2-CB 4.29Å; I718-E733 WeakPolarHBondContact CG2-OE2 3.42Å; I718-V734 HydrophobicContact CD1-CB 4.38Å; I718-V734 HydrophobicContact CD1-CG2 3.63Å |
| 719 | M | 94.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.3 | -36.9 | -177.4 | -72.9 | -60.5 | -57.4 | 0 | 0 | 112.3 | I715 M721 R722 K723 L725 L730 L762 Y772 Y774 | I715-M719 HydrophobicContact CG2-CG 4.16Å; I715-M719 WeakPolarHBondContact O-CB 3.33Å; I715-M719 WeakPolarHBondContact O-CG 3.44Å; I715-M719 PolarHBondContact O-N 3.26Å; M719-M721 VanDerWaalsContact C-N 3.25Å; M719-M721 PolarHBondContact O-N 2.97Å; M719-R722 PolarHBondContact O-N 3.27Å; M719-K723 VanDerWaalsContact O-CA 3.24Å; M719-K723 WeakPolarHBondContact O-CA 3.38Å; M719-K723 PolarHBondContact O-N 3.33Å; M719-L725 HydrophobicContact CE-CB 4.49Å; M719-L725 HydrophobicContact SD-CB 3.76Å; M719-L730 HydrophobicContact CG-CD1 4.09Å; M719-L730 HydrophobicContact CG-CD2 4.47Å; M719-L730 HydrophobicContact SD-CD1 4.09Å; M719-L730 HydrophobicContact SD-CD2 4.24Å; M719-L762 HydrophobicContact CB-CD2 3.51Å; M719-L762 HydrophobicContact CE-CD2 3.86Å; M719-L762 HydrophobicContact CG-CD1 4.49Å; M719-L762 HydrophobicContact CG-CD2 3.47Å; M719-L762 VanDerWaalsContact CG-CD2 3.47Å; M719-L762 HydrophobicContact SD-CD2 4.41Å; M719-Y772 VanDerWaalsContact CE-O 3.31Å; M719-Y772 WeakPolarHBondContact CE-O 3.28Å; M719-Y774 HydrophobicContact CB-CD2 3.94Å; M719-Y774 HydrophobicContact CB-CG 4.36Å; M719-Y774 WeakPolarHBondContact O-CB 3.41Å |
| 720 | K | 94.7 | Very high | 93.8 | Very high | 126 Ų | 126 | 62.3 Ų | 62.3 | 55% | 0.548 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.6 | -36.4 | 172.6 | -177.6 | 172 | -178.7 | 172.8 | 0 | 112.8 | V716 I718 K723 Y774 | V716-K720 WeakPolarHBondContact O-CB 3.31Å; V716-K720 PolarHBondContact O-N 3.45Å; I718-K720 VanDerWaalsContact C-N 3.35Å; I718-K720 PolarHBondContact O-N 3.41Å; K720-K723 VanDerWaalsContact O-CE 3.28Å; K720-K723 WeakPolarHBondContact O-CE 3.19Å; K720-Y774 HydrophobicContact CB-CD1 4.3Å; K720-Y774 HydrophobicContact CB-CE1 3.78Å; K720-Y774 HydrophobicContact CB-CE2 4.11Å; K720-Y774 HydrophobicContact CD-CE1 4.46Å; K720-Y774 HydrophobicContact CG-CE1 3.76Å |
| 721 | M | 93.1 | Very high | 93.9 | Very high | 129 Ų | 129 | 59.7 Ų | 59.7 | 64% | 0.635 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -79.6 | -43.8 | -179.8 | -173.4 | 179.9 | 72.4 | 0 | 0 | 112.4 | R717 I718 M719 | R717-M721 PolarHBondContact O-N 2.9Å; I718-M721 WeakPolarHBondContact O-CB 3.22Å; I718-M721 PolarHBondContact O-N 3.06Å; I718-M721 VanDerWaalsContact O-N 3.08Å; M719-M721 VanDerWaalsContact C-N 3.25Å; M719-M721 PolarHBondContact O-N 2.97Å |
| 722 | R | 93.2 | Very high | 93.9 | Very high | 130 Ų | 130 | 61.8 Ų | 61.8 | 49% | 0.491 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -85.9 | -22.1 | -175.5 | -62.8 | -62.3 | -165.5 | -177.7 | 4 | 113.8 | I718 M719 V724 L725 E733 | I718-R722 HydrophobicContact CG2-CG 4.28Å; I718-R722 WeakPolarHBondContact O-CG 3.49Å; I718-R722 PolarHBondContact O-N 3.43Å; M719-R722 PolarHBondContact O-N 3.27Å; R722-V724 PolarHBondContact O-N 3.21Å; R722-L725 HydrophobicContact CB-CB 4.48Å; R722-L725 HydrophobicContact CB-CD1 4.38Å; R722-L725 HydrophobicContact CG-CD1 4.33Å; R722-L725 HydrophobicContact CG-CD2 4.35Å; R722-E733 IonicContact CZ-OE1 2.82Å; R722-E733 VanDerWaalsContact CZ-OE1 3.29Å; R722-E733 IonicContact NE-OE1 3.85Å; R722-E733 PolarHBondContact NE-OE1 3.45Å; R722-E733 IonicContact NE-OE2 3.62Å; R722-E733 IonicContact NH2-OE1 3.29Å; R722-E733 PolarHBondContact NH2-OE1 3.43Å |
| 723 | K | 92.8 | Very high | 93.9 | Very high | 108 Ų | 108 | 63 Ų | 63 | 47% | 0.47 | 30% | 0.303 | S | S | . | . | S | Bend | trans | 63.2 | -48.4 | -174.3 | -58.4 | -60.2 | -172 | 175.5 | 0 | 114.9 | M719 K720 S773 Y774 | M719-K723 VanDerWaalsContact O-CA 3.24Å; M719-K723 WeakPolarHBondContact O-CA 3.38Å; M719-K723 PolarHBondContact O-N 3.33Å; K720-K723 VanDerWaalsContact O-CE 3.28Å; K720-K723 WeakPolarHBondContact O-CE 3.19Å; K723-S773 CarbonylContact O-C 3.56Å; K723-S773 WeakPolarHBondContact O-CA 3.27Å; K723-Y774 HydrophobicContact CD-CD1 4.24Å; K723-Y774 PolarHBondContact O-N 3.4Å |
| 724 | V | 92.9 | Very high | 93.9 | Very high | 78 Ų | 78 | 60.8 Ų | 60.8 | 47% | 0.473 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 132 | 175.9 | -178.5 | 0 | 0 | 0 | 0 | 108.9 | R722 V765 T771 Y772 | R722-V724 PolarHBondContact O-N 3.21Å; V724-V765 HydrophobicContact CG1-CG2 4.39Å; V724-T771 HydrophobicContact CG1-CG2 3.49Å; V724-T771 VanDerWaalsContact CG1-CG2 3.49Å; V724-Y772 VanDerWaalsContact CA-O 3.28Å; V724-Y772 WeakPolarHBondContact CA-O 3.28Å |
| 725 | L | 94.6 | Very high | 93.8 | Very high | 14 Ų | 14 | 63.4 Ų | 63.4 | 7% | 0.073 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 141.9 | -178.7 | -159.6 | 65.2 | 0 | 0 | 0 | 111.8 | I718 M719 R722 Q729 L730 Y772 | I718-L725 HydrophobicContact CG2-CD2 3.83Å; M719-L725 HydrophobicContact CE-CB 4.49Å; M719-L725 HydrophobicContact SD-CB 3.76Å; R722-L725 HydrophobicContact CB-CB 4.48Å; R722-L725 HydrophobicContact CB-CD1 4.38Å; R722-L725 HydrophobicContact CG-CD1 4.33Å; R722-L725 HydrophobicContact CG-CD2 4.35Å; L725-Q729 HydrophobicContact CD1-CB 3.86Å; L725-Q729 HydrophobicContact CD2-CB 4.38Å; L725-Q729 HydrophobicContact CG-CB 3.91Å; L725-L730 HydrophobicContact CD2-CB 3.79Å; L725-L730 HydrophobicContact CD2-CD1 4.03Å; L725-L730 HydrophobicContact CG-CB 4.33Å; L725-Y772 PolarHBondContact N-O 3.45Å; L725-Y772 PolarHBondContact O-N 3.32Å |
| 726 | K | 94.9 | Very high | 93.6 | Very high | 115 Ų | 115 | 69 Ų | 69 | 50% | 0.5 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 151.3 | 174.3 | -67.6 | -172.1 | 175.4 | -173.4 | 0 | 111.4 | Q728 Q729 L730 D770 | K726-Q728 PolarHBondContact O-N 2.95Å; K726-Q729 PolarHBondContact O-N 2.78Å; K726-Q729 VanDerWaalsContact O-N 3.09Å; K726-L730 PolarHBondContact O-N 3.07Å; K726-D770 CarbonylContact C-O 3.36Å; K726-D770 WeakPolarHBondContact CA-O 3.35Å |
| 727 | H | 92.9 | Very high | 93.3 | Very high | 21 Ų | 21 | 70.9 Ų | 70.9 | 10% | 0.097 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -52.5 | -50.1 | -177.1 | -175.5 | 82.3 | 0 | 0 | 0 | 113 | Q729 L730 L731 D770 Y772 | H727-Q729 VanDerWaalsContact C-N 3.32Å; H727-Q729 PolarHBondContact O-N 3.34Å; H727-L730 PolarHBondContact O-N 3.3Å; H727-L731 WeakPolarHBondContact NE2-CD1 3.46Å; H727-L731 WeakPolarHBondContact O-CG 3.43Å; H727-L731 PolarHBondContact O-N 3.09Å; H727-D770 PolarHBondContact N-O 2.85Å; H727-Y772 HydrophobicContact CB-CE2 3.83Å; H727-Y772 AromaticContact ND1-CE2 3.44Å; H727-Y772 WeakPolarHBondContact ND1-CE2 3.31Å; H727-Y772 AromaticContact ND1-CZ 3.63Å; H727-Y772 PolarHBondContact ND1-OH 3.5Å |
| 728 | Q | 93.3 | Very high | 93.1 | Very high | 145 Ų | 145 | 64.1 Ų | 64.1 | 68% | 0.678 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62.7 | -38.2 | -179.3 | -67 | -64 | -20.3 | 0 | 0 | 112.6 | K726 A732 | K726-Q728 PolarHBondContact O-N 2.95Å; Q728-A732 WeakPolarHBondContact O-CB 3.23Å; Q728-A732 PolarHBondContact O-N 2.95Å |
| 729 | Q | 93.6 | Very high | 92.7 | Very high | 106 Ų | 106 | 67.2 Ų | 67.2 | 50% | 0.495 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -70.3 | -41.4 | 177.8 | -67.9 | 174.6 | -29.4 | 0 | 0 | 111.1 | L725 K726 H727 A732 E733 | L725-Q729 HydrophobicContact CD1-CB 3.86Å; L725-Q729 HydrophobicContact CD2-CB 4.38Å; L725-Q729 HydrophobicContact CG-CB 3.91Å; K726-Q729 PolarHBondContact O-N 2.78Å; K726-Q729 VanDerWaalsContact O-N 3.09Å; H727-Q729 VanDerWaalsContact C-N 3.32Å; H727-Q729 PolarHBondContact O-N 3.34Å; Q729-A732 PolarHBondContact O-N 2.98Å; Q729-E733 PolarHBondContact O-N 3.42Å |
| 730 | L | 93.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 174.6 | -179.6 | 59.8 | 0 | 0 | 0 | 111.4 | I715 I718 M719 L725 K726 H727 A732 E733 V734 I753 Y772 | I715-L730 HydrophobicContact CG2-CD1 4.38Å; I715-L730 HydrophobicContact CG2-CD2 4.26Å; I718-L730 HydrophobicContact CB-CD1 4.28Å; I718-L730 HydrophobicContact CG2-CD1 3.73Å; M719-L730 HydrophobicContact CG-CD1 4.09Å; M719-L730 HydrophobicContact CG-CD2 4.47Å; M719-L730 HydrophobicContact SD-CD1 4.09Å; M719-L730 HydrophobicContact SD-CD2 4.24Å; L725-L730 HydrophobicContact CD2-CB 3.79Å; L725-L730 HydrophobicContact CD2-CD1 4.03Å; L725-L730 HydrophobicContact CG-CB 4.33Å; K726-L730 PolarHBondContact O-N 3.07Å; H727-L730 PolarHBondContact O-N 3.3Å; L730-A732 VanDerWaalsContact C-N 3.33Å; L730-A732 PolarHBondContact O-N 3.33Å; L730-E733 PolarHBondContact O-N 2.85Å; L730-V734 HydrophobicContact CD1-CG2 4.01Å; L730-V734 HydrophobicContact CG-CG2 4.36Å; L730-V734 WeakPolarHBondContact O-CB 3.32Å; L730-V734 VanDerWaalsContact O-CG2 3.22Å; L730-V734 WeakPolarHBondContact O-CG2 3.49Å; L730-V734 PolarHBondContact O-N 2.95Å; L730-I753 HydrophobicContact CD2-CD1 3.96Å; L730-I753 HydrophobicContact CD2-CG1 4.33Å; L730-Y772 HydrophobicContact CD2-CD2 3.82Å; L730-Y772 HydrophobicContact CD2-CE2 4.18Å |
| 731 | L | 93.4 | Very high | 91.6 | Very high | 13 Ų | 13 | 67 Ų | 67 | 7% | 0.068 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.7 | -47 | 175.7 | -70.9 | -173.2 | 0 | 0 | 0 | 111.3 | H727 V734 L735 V746 I749 | H727-L731 WeakPolarHBondContact NE2-CD1 3.46Å; H727-L731 WeakPolarHBondContact O-CG 3.43Å; H727-L731 PolarHBondContact O-N 3.09Å; L731-V734 PolarHBondContact O-N 3.29Å; L731-L735 WeakPolarHBondContact O-CB 3.5Å; L731-L735 VanDerWaalsContact O-CG 3.23Å; L731-L735 WeakPolarHBondContact O-CG 3.41Å; L731-L735 PolarHBondContact O-N 3.01Å; L731-V746 HydrophobicContact CD1-CG1 4.03Å; L731-I749 HydrophobicContact CD2-CB 3.98Å; L731-I749 HydrophobicContact CD2-CD1 4.01Å; L731-I749 HydrophobicContact CD2-CG2 3.54Å |
| 732 | A | 93.6 | Very high | 91.4 | Very high | 46 Ų | 46 | 61 Ų | 61 | 38% | 0.38 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q728 Q729 L730 L735 N736 | Q728-A732 WeakPolarHBondContact O-CB 3.23Å; Q728-A732 PolarHBondContact O-N 2.95Å; Q729-A732 PolarHBondContact O-N 2.98Å; L730-A732 VanDerWaalsContact C-N 3.33Å; L730-A732 PolarHBondContact O-N 3.33Å; A732-L735 PolarHBondContact O-N 3.41Å; A732-N736 WeakPolarHBondContact O-CB 3.35Å; A732-N736 VanDerWaalsContact O-CG 3.26Å; A732-N736 PolarHBondContact O-N 2.91Å; A732-N736 PolarHBondContact O-ND2 3.4Å |
| 733 | E | 94.1 | Very high | 91.1 | Very high | 47 Ų | 47 | 60.4 Ų | 60.4 | 22% | 0.22 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.6 | -41.6 | 177.7 | -72.1 | -162.8 | -174.3 | 0 | 0 | 112.1 | I718 R722 Q729 L730 N736 Q737 | I718-E733 HydrophobicContact CD1-CB 3.81Å; I718-E733 HydrophobicContact CG1-CB 4.39Å; I718-E733 HydrophobicContact CG2-CB 4.29Å; I718-E733 WeakPolarHBondContact CG2-OE2 3.42Å; R722-E733 IonicContact CZ-OE1 2.82Å; R722-E733 VanDerWaalsContact CZ-OE1 3.29Å; R722-E733 IonicContact NE-OE1 3.85Å; R722-E733 PolarHBondContact NE-OE1 3.45Å; R722-E733 IonicContact NE-OE2 3.62Å; R722-E733 IonicContact NH2-OE1 3.29Å; R722-E733 PolarHBondContact NH2-OE1 3.43Å; Q729-E733 PolarHBondContact O-N 3.42Å; L730-E733 PolarHBondContact O-N 2.85Å; E733-N736 PolarHBondContact O-N 3.21Å; E733-Q737 WeakPolarHBondContact O-CB 3.31Å; E733-Q737 PolarHBondContact O-N 2.97Å |
| 734 | V | 93.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 176.8 | 172 | 0 | 0 | 0 | 0 | 111.3 | I711 I715 I718 L730 L731 Q737 L738 I749 | I711-V734 HydrophobicContact CG2-CG1 4.48Å; I715-V734 HydrophobicContact CG1-CG2 3.7Å; I718-V734 HydrophobicContact CD1-CB 4.38Å; I718-V734 HydrophobicContact CD1-CG2 3.63Å; L730-V734 HydrophobicContact CD1-CG2 4.01Å; L730-V734 HydrophobicContact CG-CG2 4.36Å; L730-V734 WeakPolarHBondContact O-CB 3.32Å; L730-V734 VanDerWaalsContact O-CG2 3.22Å; L730-V734 WeakPolarHBondContact O-CG2 3.49Å; L730-V734 PolarHBondContact O-N 2.95Å; L731-V734 PolarHBondContact O-N 3.29Å; V734-Q737 PolarHBondContact O-N 3.38Å; V734-L738 HydrophobicContact CG1-CD1 3.9Å; V734-L738 WeakPolarHBondContact O-CB 3.4Å; V734-L738 WeakPolarHBondContact O-CG 3.44Å; V734-L738 PolarHBondContact O-N 2.99Å; V734-L738 VanDerWaalsContact O-N 3.1Å; V734-I749 HydrophobicContact CG1-CD1 4.06Å; V734-I749 HydrophobicContact CG1-CG1 4.36Å; V734-I749 HydrophobicContact CG1-CG2 4.39Å |
| 735 | L | 91.4 | Very high | 90.5 | Very high | 58 Ų | 58 | 59.9 Ų | 59.9 | 30% | 0.304 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 177.1 | -73 | 174.1 | 0 | 0 | 0 | 111.2 | L731 A732 L738 S739 P744 I749 | L731-L735 WeakPolarHBondContact O-CB 3.5Å; L731-L735 VanDerWaalsContact O-CG 3.23Å; L731-L735 WeakPolarHBondContact O-CG 3.41Å; L731-L735 PolarHBondContact O-N 3.01Å; A732-L735 PolarHBondContact O-N 3.41Å; L735-L738 PolarHBondContact O-N 3.45Å; L735-S739 WeakPolarHBondContact O-CB 3.23Å; L735-S739 PolarHBondContact O-N 3.37Å; L735-P744 HydrophobicContact CD2-CB 4.28Å; L735-P744 HydrophobicContact CD2-CG 4.2Å; L735-P744 WeakPolarHBondContact CD2-O 3.47Å; L735-I749 HydrophobicContact CD2-CD1 4.07Å; L735-I749 HydrophobicContact CG-CD1 4.32Å |
| 736 | N | 90.6 | Very high | 90.2 | Very high | 118 Ų | 118 | 62 Ų | 62 | 63% | 0.631 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62.8 | -45.8 | 178.5 | -76.3 | -19.9 | 0 | 0 | 0 | 111.7 | A732 E733 L738 S739 | A732-N736 WeakPolarHBondContact O-CB 3.35Å; A732-N736 VanDerWaalsContact O-CG 3.26Å; A732-N736 PolarHBondContact O-N 2.91Å; A732-N736 PolarHBondContact O-ND2 3.4Å; E733-N736 PolarHBondContact O-N 3.21Å; N736-L738 VanDerWaalsContact C-N 3.33Å; N736-L738 PolarHBondContact O-N 2.95Å; N736-S739 PolarHBondContact O-OG 3.48Å |
| 737 | Q | 89.8 | Confident | 90.1 | Very high | 69 Ų | 69 | 60.6 Ų | 60.6 | 32% | 0.322 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.3 | -36.2 | -178.8 | -171.9 | 175.4 | 20.7 | 0 | 0 | 112.9 | E733 V734 | E733-Q737 WeakPolarHBondContact O-CB 3.31Å; E733-Q737 PolarHBondContact O-N 2.97Å; V734-Q737 PolarHBondContact O-N 3.38Å |
| 738 | L | 89.4 | Confident | 89.9 | Confident | 15 Ų | 15 | 61.9 Ų | 61.9 | 8% | 0.079 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -92 | -14.2 | -176.4 | -64.8 | 177 | 0 | 0 | 0 | 114.2 | I711 A714 V734 L735 N736 S740 R741 F742 P744 | I711-L738 HydrophobicContact CB-CD1 4.38Å; I711-L738 HydrophobicContact CG1-CD1 3.63Å; A714-L738 HydrophobicContact CB-CD1 4.31Å; A714-L738 HydrophobicContact CB-CD2 4.23Å; A714-L738 HydrophobicContact CB-CG 4.32Å; V734-L738 HydrophobicContact CG1-CD1 3.9Å; V734-L738 WeakPolarHBondContact O-CB 3.4Å; V734-L738 WeakPolarHBondContact O-CG 3.44Å; V734-L738 PolarHBondContact O-N 2.99Å; V734-L738 VanDerWaalsContact O-N 3.1Å; L735-L738 PolarHBondContact O-N 3.45Å; N736-L738 VanDerWaalsContact C-N 3.33Å; N736-L738 PolarHBondContact O-N 2.95Å; L738-S740 PolarHBondContact O-N 2.89Å; L738-R741 PolarHBondContact O-N 3.08Å; L738-F742 CarbonylContact C-O 3.48Å; L738-F742 HydrophobicContact CD1-CZ 4.07Å; L738-F742 HydrophobicContact CD2-CE1 4.48Å; L738-F742 PolarHBondContact O-N 2.83Å; L738-F742 VanDerWaalsContact O-N 3.08Å; L738-P744 HydrophobicContact CB-CG 3.77Å; L738-P744 HydrophobicContact CD1-CG 3.6Å; L738-P744 HydrophobicContact CG-CG 4.33Å |
| 739 | S | 84.9 | Confident | 89.9 | Confident | 74 Ų | 74 | 55 Ų | 55 | 52% | 0.517 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -28.1 | -176.3 | 64.4 | 0 | 0 | 0 | 0 | 115.4 | L735 N736 R741 | L735-S739 WeakPolarHBondContact O-CB 3.23Å; L735-S739 PolarHBondContact O-N 3.37Å; N736-S739 PolarHBondContact O-OG 3.48Å; S739-R741 VanDerWaalsContact C-N 3.27Å; S739-R741 PolarHBondContact O-N 3.3Å |
| 740 | S | 82.7 | Confident | 89.8 | Confident | 64 Ų | 64 | 54.9 Ų | 54.9 | 45% | 0.448 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -20.9 | 177.7 | 61.6 | 0 | 0 | 0 | 0 | 113.6 | L738 | L738-S740 PolarHBondContact O-N 2.89Š|
| 741 | R | 84.6 | Confident | 89.8 | Confident | 57 Ų | 57 | 61.8 Ų | 61.8 | 22% | 0.215 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | -46.9 | -177.4 | -62.7 | -161.3 | -178.3 | -149.8 | 8.4 | 113.1 | K459 D460 E499 L738 S739 | K459-R741 WeakPolarHBondContact CA-O 3.5Å; K459-R741 WeakPolarHBondContact CB-O 3.34Å; K459-R741 PolarHBondContact N-O 3.36Å; D460-R741 PolarHBondContact N-O 3.27Å; E499-R741 IonicContact OE2-NH2 3.42Å; E499-R741 PolarHBondContact OE2-NH2 2.78Å; L738-R741 PolarHBondContact O-N 3.08Å; S739-R741 VanDerWaalsContact C-N 3.27Å; S739-R741 PolarHBondContact O-N 3.3Å |
| 742 | F | 89.2 | Confident | 89.9 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 1% | 0.013 | 32% | 0.315 | C | S | . | . | trans | -161.4 | 170.5 | 177.5 | 66.9 | -83.6 | 0 | 0 | 0 | 110.5 | E457 D460 R707 L710 I711 L738 P744 | E457-F742 WeakPolarHBondContact O-CA 3.32Å; D460-F742 WeakPolarHBondContact OD1-CB 3.44Å; R707-F742 HydrophobicContact CB-CE1 4.49Å; R707-F742 HydrophobicContact CB-CE2 4.12Å; R707-F742 HydrophobicContact CB-CZ 3.91Å; R707-F742 HydrophobicContact CG-CD1 4.25Å; R707-F742 HydrophobicContact CG-CD2 4.16Å; R707-F742 HydrophobicContact CG-CE1 3.95Å; R707-F742 HydrophobicContact CG-CE2 3.83Å; R707-F742 HydrophobicContact CG-CG 4.37Å; R707-F742 HydrophobicContact CG-CZ 3.72Å; L710-F742 HydrophobicContact CD1-CE1 4.35Å; I711-F742 HydrophobicContact CD1-CE2 4.15Å; I711-F742 HydrophobicContact CD1-CZ 4.2Å; I711-F742 HydrophobicContact CG1-CE2 4.35Å; I711-F742 HydrophobicContact CG1-CZ 3.99Å; L738-F742 CarbonylContact C-O 3.48Å; L738-F742 HydrophobicContact CD1-CZ 4.07Å; L738-F742 HydrophobicContact CD2-CE1 4.48Å; L738-F742 PolarHBondContact O-N 2.83Å; L738-F742 VanDerWaalsContact O-N 3.08Å; F742-P744 HydrophobicContact CD2-CB 4.45Å; F742-P744 HydrophobicContact CD2-CG 4.11Å; F742-P744 HydrophobicContact CE2-CB 3.87Å; F742-P744 HydrophobicContact CE2-CG 3.65Å; F742-P744 HydrophobicContact CZ-CG 4.25Å; F742-P744 VanDerWaalsContact O-CD 3.31Å; F742-P744 WeakPolarHBondContact O-CD 3.24Å | ||
| 743 | K | 86 | Confident | 89.9 | Confident | 118 Ų | 118 | 59.1 Ų | 59.1 | 51% | 0.513 | 30% | 0.297 | S | S | . | . | trans | -102.8 | 101.8 | 176 | -168.4 | 176.9 | -170.7 | 174.4 | 0 | 110.4 | E457 R745 | E457-K743 IonicContact OE1-NZ 3.58Å; E457-K743 PolarHBondContact OE1-NZ 3.04Å; E457-K743 WeakPolarHBondContact OE2-CD 3.47Å; E457-K743 IonicContact OE2-NZ 2.9Å; K743-R745 PolarHBondContact O-N 3.07Å | ||
| 744 | P | 86.9 | Confident | 89.8 | Confident | 8 Ų | 8 | 60.1 Ų | 60.1 | 5% | 0.052 | 30% | 0.304 | C | S | . | . | trans | -64.6 | 137.4 | -178.1 | -15.5 | 26 | 0 | 0 | 0 | 111.7 | I711 L735 L738 F742 I749 | I711-P744 HydrophobicContact CD1-CB 4.02Å; I711-P744 HydrophobicContact CG1-CB 4.34Å; L735-P744 HydrophobicContact CD2-CB 4.28Å; L735-P744 HydrophobicContact CD2-CG 4.2Å; L735-P744 WeakPolarHBondContact CD2-O 3.47Å; L738-P744 HydrophobicContact CB-CG 3.77Å; L738-P744 HydrophobicContact CD1-CG 3.6Å; L738-P744 HydrophobicContact CG-CG 4.33Å; F742-P744 HydrophobicContact CD2-CB 4.45Å; F742-P744 HydrophobicContact CD2-CG 4.11Å; F742-P744 HydrophobicContact CE2-CB 3.87Å; F742-P744 HydrophobicContact CE2-CG 3.65Å; F742-P744 HydrophobicContact CZ-CG 4.25Å; F742-P744 VanDerWaalsContact O-CD 3.31Å; F742-P744 WeakPolarHBondContact O-CD 3.24Å; P744-I749 HydrophobicContact CB-CD1 4.01Å; P744-I749 HydrophobicContact CB-CG1 3.99Å | ||
| 745 | R | 87 | Confident | 89.8 | Confident | 167 Ų | 167 | 62.7 Ų | 62.7 | 63% | 0.63 | 32% | 0.317 | S | S | * | . | trans | -77 | 130.9 | 172.6 | -61.4 | -177 | -176.6 | 177.6 | 2.3 | 109.5 | K743 P747 V748 I749 | K743-R745 PolarHBondContact O-N 3.07Å; R745-P747 VanDerWaalsContact C-CD 3.43Å; R745-P747 VanDerWaalsContact C-N 3.32Å; R745-V748 HydrophobicContact CB-CG2 4.12Å; R745-V748 WeakPolarHBondContact O-CA 3.25Å; R745-V748 WeakPolarHBondContact O-CB 3.44Å; R745-V748 PolarHBondContact O-N 3.3Å; R745-I749 PolarHBondContact O-N 3.06Å | ||
| 746 | V | 89.3 | Confident | 89.9 | Confident | 58 Ų | 58 | 60 Ų | 60 | 35% | 0.352 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -50.6 | -42.1 | 179.9 | 178.8 | 0 | 0 | 0 | 0 | 113.5 | L731 V748 I749 K750 | L731-V746 HydrophobicContact CD1-CG1 4.03Å; V746-V748 PolarHBondContact O-N 2.61Å; V746-I749 PolarHBondContact O-N 3.43Å; V746-K750 PolarHBondContact O-N 3.01Å |
| 747 | P | 91.3 | Very high | 90 | Very high | 86 Ų | 86 | 56.7 Ų | 56.7 | 56% | 0.558 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -59.9 | -31.8 | 175.8 | -25.6 | 35.7 | 0 | 0 | 0 | 114.3 | R745 K751 | R745-P747 VanDerWaalsContact C-CD 3.43Å; R745-P747 VanDerWaalsContact C-N 3.32Å; P747-K751 WeakPolarHBondContact O-CG 3.44Å; P747-K751 PolarHBondContact O-N 2.91Å |
| 748 | V | 90.2 | Very high | 90.2 | Very high | 47 Ų | 47 | 60.9 Ų | 60.9 | 29% | 0.285 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -73.7 | -40.7 | 177.8 | -178.2 | 0 | 0 | 0 | 0 | 110.2 | K708 I711 R745 V746 K750 K751 C752 | K708-V748 HydrophobicContact CG-CG1 4.36Å; I711-V748 HydrophobicContact CD1-CB 4.49Å; I711-V748 HydrophobicContact CD1-CG1 3.76Å; R745-V748 HydrophobicContact CB-CG2 4.12Å; R745-V748 WeakPolarHBondContact O-CA 3.25Å; R745-V748 WeakPolarHBondContact O-CB 3.44Å; R745-V748 PolarHBondContact O-N 3.3Å; V746-V748 PolarHBondContact O-N 2.61Å; V748-K750 VanDerWaalsContact C-N 3.32Å; V748-K750 PolarHBondContact O-N 2.77Å; V748-K751 PolarHBondContact O-N 3.36Å; V748-C752 PolarHBondContact O-N 2.95Å; V748-C752 PolarHBondContact O-SG 2.89Å |
| 749 | I | 92.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.3 | -45.3 | 174.9 | -54.1 | 173.7 | 0 | 0 | 0 | 110.3 | I711 I715 L731 V734 L735 P744 R745 V746 K751 C752 I753 | I711-I749 HydrophobicContact CG2-CG1 4.31Å; I711-I749 HydrophobicContact CG2-CG2 4.44Å; I715-I749 HydrophobicContact CD1-CG2 4.17Å; L731-I749 HydrophobicContact CD2-CB 3.98Å; L731-I749 HydrophobicContact CD2-CD1 4.01Å; L731-I749 HydrophobicContact CD2-CG2 3.54Å; V734-I749 HydrophobicContact CG1-CD1 4.06Å; V734-I749 HydrophobicContact CG1-CG1 4.36Å; V734-I749 HydrophobicContact CG1-CG2 4.39Å; L735-I749 HydrophobicContact CD2-CD1 4.07Å; L735-I749 HydrophobicContact CG-CD1 4.32Å; P744-I749 HydrophobicContact CB-CD1 4.01Å; P744-I749 HydrophobicContact CB-CG1 3.99Å; R745-I749 PolarHBondContact O-N 3.06Å; V746-I749 PolarHBondContact O-N 3.43Å; I749-K751 PolarHBondContact O-N 2.86Å; I749-C752 WeakPolarHBondContact O-CB 3.34Å; I749-C752 PolarHBondContact O-N 2.98Å; I749-C752 VanDerWaalsContact O-N 3.11Å; I749-I753 HydrophobicContact CG2-CD1 4.16Å; I749-I753 HydrophobicContact CG2-CG1 4.5Å; I749-I753 WeakPolarHBondContact O-CG1 3.36Å; I749-I753 PolarHBondContact O-N 2.98Å |
| 750 | K | 91.8 | Very high | 90.7 | Very high | 105 Ų | 105 | 69.1 Ų | 69.1 | 46% | 0.457 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -56.9 | -50.3 | 176.6 | -71 | -177.1 | 177.2 | -172.8 | 0 | 112 | V746 V748 C752 I753 D754 | V746-K750 PolarHBondContact O-N 3.01Å; V748-K750 VanDerWaalsContact C-N 3.32Å; V748-K750 PolarHBondContact O-N 2.77Å; K750-C752 VanDerWaalsContact C-N 3.27Å; K750-C752 PolarHBondContact O-N 3.47Å; K750-I753 WeakPolarHBondContact O-CB 3.44Å; K750-I753 PolarHBondContact O-N 3.08Å; K750-I753 VanDerWaalsContact O-N 3.07Å; K750-D754 PolarHBondContact O-N 2.85Å |
| 751 | K | 93.8 | Very high | 91.1 | Very high | 145 Ų | 145 | 70.9 Ų | 70.9 | 63% | 0.63 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -57.5 | -39.1 | 174.8 | -72.4 | -177.8 | 179.1 | -172.6 | 0 | 112.5 | P747 V748 I749 D754 I755 | P747-K751 WeakPolarHBondContact O-CG 3.44Å; P747-K751 PolarHBondContact O-N 2.91Å; V748-K751 PolarHBondContact O-N 3.36Å; I749-K751 PolarHBondContact O-N 2.86Å; K751-D754 PolarHBondContact O-N 2.87Å; K751-I755 WeakPolarHBondContact O-CD1 3.47Å; K751-I755 VanDerWaalsContact O-CG1 3.25Å; K751-I755 WeakPolarHBondContact O-CG1 3.17Å; K751-I755 PolarHBondContact O-N 2.79Å |
| 752 | C | 94.5 | Very high | 91.5 | Very high | 2 Ų | 2 | 68.2 Ų | 68.2 | 1% | 0.014 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.6 | -35.5 | 176.5 | -69.2 | 0 | 0 | 0 | 0 | 112.8 | I711 Q712 I715 V748 I749 K750 L756 | I711-C752 HydrophobicContact CG2-CB 3.76Å; Q712-C752 HydrophobicContact CG-CB 3.88Å; I715-C752 HydrophobicContact CD1-CB 3.87Å; V748-C752 PolarHBondContact O-N 2.95Å; V748-C752 PolarHBondContact O-SG 2.89Å; I749-C752 WeakPolarHBondContact O-CB 3.34Å; I749-C752 PolarHBondContact O-N 2.98Å; I749-C752 VanDerWaalsContact O-N 3.11Å; K750-C752 VanDerWaalsContact C-N 3.27Å; K750-C752 PolarHBondContact O-N 3.47Å; C752-L756 WeakPolarHBondContact O-CB 3.34Å; C752-L756 VanDerWaalsContact O-CG 3.24Å; C752-L756 WeakPolarHBondContact O-CG 3.33Å; C752-L756 PolarHBondContact O-N 3.32Å |
| 753 | I | 93.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64 | -47 | 173.4 | -66.5 | 166.8 | 0 | 0 | 0 | 109.8 | I715 L730 I749 K750 I755 L756 I757 Y772 | I715-I753 HydrophobicContact CD1-CG1 3.91Å; L730-I753 HydrophobicContact CD2-CD1 3.96Å; L730-I753 HydrophobicContact CD2-CG1 4.33Å; I749-I753 HydrophobicContact CG2-CD1 4.16Å; I749-I753 HydrophobicContact CG2-CG1 4.5Å; I749-I753 WeakPolarHBondContact O-CG1 3.36Å; I749-I753 PolarHBondContact O-N 2.98Å; K750-I753 WeakPolarHBondContact O-CB 3.44Å; K750-I753 PolarHBondContact O-N 3.08Å; K750-I753 VanDerWaalsContact O-N 3.07Å; I753-I755 VanDerWaalsContact C-N 3.33Å; I753-I755 PolarHBondContact O-N 3.34Å; I753-L756 PolarHBondContact O-N 3.42Å; I753-I757 HydrophobicContact CG2-CD1 3.91Å; I753-I757 HydrophobicContact CG2-CG1 4.43Å; I753-I757 WeakPolarHBondContact O-CG1 3.44Å; I753-I757 PolarHBondContact O-N 2.8Å; I753-Y772 HydrophobicContact CD1-CE2 4.26Å; I753-Y772 HydrophobicContact CG2-CD1 4.29Å; I753-Y772 HydrophobicContact CG2-CE1 3.76Å; I753-Y772 HydrophobicContact CG2-CE2 4.36Å |
| 754 | D | 92.9 | Very high | 91.9 | Very high | 67 Ų | 67 | 72 Ų | 72 | 36% | 0.358 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59 | -45.2 | 179.2 | -61.8 | -36.3 | 0 | 0 | 0 | 111 | K750 K751 L756 I757 E758 R764 | K750-D754 PolarHBondContact O-N 2.85Å; K751-D754 PolarHBondContact O-N 2.87Å; D754-L756 VanDerWaalsContact C-N 3.29Å; D754-L756 PolarHBondContact O-N 3.48Å; D754-I757 PolarHBondContact O-N 3.4Å; D754-E758 WeakPolarHBondContact O-CG 3.24Å; D754-E758 PolarHBondContact O-N 2.97Å; D754-R764 IonicContact OD1-NH2 3.69Å |
| 755 | I | 93.6 | Very high | 92.1 | Very high | 54 Ų | 54 | 73.8 Ų | 73.8 | 28% | 0.277 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.9 | -37.5 | 174.2 | -68.2 | 164.3 | 0 | 0 | 0 | 112.1 | K751 I753 K759 | K751-I755 WeakPolarHBondContact O-CD1 3.47Å; K751-I755 VanDerWaalsContact O-CG1 3.25Å; K751-I755 WeakPolarHBondContact O-CG1 3.17Å; K751-I755 PolarHBondContact O-N 2.79Å; I753-I755 VanDerWaalsContact C-N 3.33Å; I753-I755 PolarHBondContact O-N 3.34Å; I755-K759 HydrophobicContact CG2-CD 4.01Å; I755-K759 WeakPolarHBondContact O-CB 3.41Å; I755-K759 VanDerWaalsContact O-CG 3.25Å; I755-K759 WeakPolarHBondContact O-CG 3.36Å; I755-K759 PolarHBondContact O-N 3.18Å |
| 756 | L | 94.3 | Very high | 91.8 | Very high | 3 Ų | 3 | 73.6 Ų | 73.6 | 2% | 0.016 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -75 | -27.2 | 179.6 | -73.9 | 173.2 | 0 | 0 | 0 | 112.8 | Q712 I715 V716 C752 I753 D754 E760 Y761 L762 | Q712-L756 HydrophobicContact CB-CD1 4.38Å; Q712-L756 HydrophobicContact CB-CD2 4.27Å; Q712-L756 HydrophobicContact CB-CG 4.47Å; Q712-L756 HydrophobicContact CG-CD1 4.43Å; Q712-L756 HydrophobicContact CG-CD2 4.37Å; Q712-L756 HydrophobicContact CG-CG 4.23Å; I715-L756 HydrophobicContact CB-CD1 3.68Å; I715-L756 HydrophobicContact CD1-CD1 4.07Å; I715-L756 HydrophobicContact CG2-CD1 3.5Å; V716-L756 HydrophobicContact CG2-CD1 3.92Å; V716-L756 HydrophobicContact CG2-CD2 3.59Å; V716-L756 HydrophobicContact CG2-CG 4.39Å; C752-L756 WeakPolarHBondContact O-CB 3.34Å; C752-L756 VanDerWaalsContact O-CG 3.24Å; C752-L756 WeakPolarHBondContact O-CG 3.33Å; C752-L756 PolarHBondContact O-N 3.32Å; I753-L756 PolarHBondContact O-N 3.42Å; D754-L756 VanDerWaalsContact C-N 3.29Å; D754-L756 PolarHBondContact O-N 3.48Å; L756-E760 PolarHBondContact O-N 2.92Å; L756-Y761 HydrophobicContact CD2-CD2 3.88Å; L756-Y761 HydrophobicContact CD2-CG 4.21Å; L756-Y761 PolarHBondContact O-N 3.04Å; L756-L762 HydrophobicContact CB-CD1 3.77Å; L756-L762 HydrophobicContact CB-CG 4.18Å; L756-L762 HydrophobicContact CD1-CD1 4.08Å; L756-L762 PolarHBondContact O-N 3Å |
| 757 | I | 92.8 | Very high | 91.2 | Very high | 48 Ų | 48 | 75.1 Ų | 75.1 | 25% | 0.246 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -70.2 | -46.3 | 170.4 | -66.2 | 167.1 | 0 | 0 | 0 | 109.8 | I753 D754 K759 E760 L762 R764 Y772 | I753-I757 HydrophobicContact CG2-CD1 3.91Å; I753-I757 HydrophobicContact CG2-CG1 4.43Å; I753-I757 WeakPolarHBondContact O-CG1 3.44Å; I753-I757 PolarHBondContact O-N 2.8Å; D754-I757 PolarHBondContact O-N 3.4Å; I757-K759 PolarHBondContact O-N 3.11Å; I757-E760 PolarHBondContact O-N 3.05Å; I757-L762 WeakPolarHBondContact CA-O 3.28Å; I757-L762 HydrophobicContact CG1-CB 3.97Å; I757-R764 HydrophobicContact CD1-CG 4.15Å; I757-Y772 HydrophobicContact CD1-CD1 4.4Å; I757-Y772 HydrophobicContact CD1-CE1 4.19Å |
| 758 | E | 93.1 | Very high | 91 | Very high | 156 Ų | 156 | 75.6 Ų | 75.6 | 73% | 0.729 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -59.4 | -32.8 | 175.3 | -71.6 | 173.9 | -177.7 | 0 | 0 | 112.8 | D754 E760 | D754-E758 WeakPolarHBondContact O-CG 3.24Å; D754-E758 PolarHBondContact O-N 2.97Å; E758-E760 VanDerWaalsContact C-N 3.27Å; E758-E760 PolarHBondContact O-N 3.38Å |
| 759 | K | 93.3 | Very high | 90.5 | Very high | 110 Ų | 110 | 81.4 Ų | 81.4 | 48% | 0.478 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 8.5 | 176 | -70.9 | 177.7 | -179.9 | -179.4 | 0 | 114 | I755 I757 Y761 | I755-K759 HydrophobicContact CG2-CD 4.01Å; I755-K759 WeakPolarHBondContact O-CB 3.41Å; I755-K759 VanDerWaalsContact O-CG 3.25Å; I755-K759 WeakPolarHBondContact O-CG 3.36Å; I755-K759 PolarHBondContact O-N 3.18Å; I757-K759 PolarHBondContact O-N 3.11Å; K759-Y761 HydrophobicContact CB-CD2 3.69Å; K759-Y761 HydrophobicContact CB-CE2 4.01Å; K759-Y761 HydrophobicContact CD-CE2 4.44Å; K759-Y761 PolarHBondContact O-N 3.38Å; K759-Y761 VanDerWaalsContact O-N 3.15Å |
| 760 | E | 91.8 | Very high | 90.3 | Very high | 152 Ų | 152 | 86.7 Ų | 86.7 | 71% | 0.71 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 24.9 | 177.6 | -53.8 | -178.7 | 159.5 | 0 | 0 | 114.4 | L756 I757 E758 L775 | L756-E760 PolarHBondContact O-N 2.92Å; I757-E760 PolarHBondContact O-N 3.05Å; E758-E760 VanDerWaalsContact C-N 3.27Å; E758-E760 PolarHBondContact O-N 3.38Å; E760-L775 HydrophobicContact CB-CD1 4.47Å; E760-L775 WeakPolarHBondContact O-CB 3.46Å |
| 761 | Y | 90.7 | Very high | 90.3 | Very high | 101 Ų | 101 | 82.1 Ų | 82.1 | 40% | 0.396 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -82.4 | -26.6 | 170.1 | -76.7 | -79.3 | 0 | 0 | 0 | 112.1 | V716 L756 K759 Y774 L775 A776 | V716-Y761 HydrophobicContact CG1-CD1 4.31Å; V716-Y761 HydrophobicContact CG2-CD1 4.22Å; V716-Y761 HydrophobicContact CG2-CG 4.22Å; L756-Y761 HydrophobicContact CD2-CD2 3.88Å; L756-Y761 HydrophobicContact CD2-CG 4.21Å; L756-Y761 PolarHBondContact O-N 3.04Å; K759-Y761 HydrophobicContact CB-CD2 3.69Å; K759-Y761 HydrophobicContact CB-CE2 4.01Å; K759-Y761 HydrophobicContact CD-CE2 4.44Å; K759-Y761 PolarHBondContact O-N 3.38Å; K759-Y761 VanDerWaalsContact O-N 3.15Å; Y761-Y774 VanDerWaalsContact O-CD2 3.27Å; Y761-Y774 WeakPolarHBondContact O-CD2 2.83Å; Y761-L775 PolarHBondContact O-N 2.93Å; Y761-L775 VanDerWaalsContact O-N 3.13Å; Y761-A776 HydrophobicContact CD1-CB 4.44Å |
| 762 | L | 92.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 75.7 Ų | 75.7 | 1% | 0.005 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 152.1 | -175.6 | -57.3 | 173.5 | 0 | 0 | 0 | 110.3 | I715 M719 L756 I757 S773 Y774 | I715-L762 HydrophobicContact CG2-CD1 3.73Å; M719-L762 HydrophobicContact CB-CD2 3.51Å; M719-L762 HydrophobicContact CE-CD2 3.86Å; M719-L762 HydrophobicContact CG-CD1 4.49Å; M719-L762 HydrophobicContact CG-CD2 3.47Å; M719-L762 VanDerWaalsContact CG-CD2 3.47Å; M719-L762 HydrophobicContact SD-CD2 4.41Å; L756-L762 HydrophobicContact CB-CD1 3.77Å; L756-L762 HydrophobicContact CB-CG 4.18Å; L756-L762 HydrophobicContact CD1-CD1 4.08Å; L756-L762 PolarHBondContact O-N 3Å; I757-L762 WeakPolarHBondContact CA-O 3.28Å; I757-L762 HydrophobicContact CG1-CB 3.97Å; L762-S773 CarbonylContact C-O 3.55Å; L762-S773 VanDerWaalsContact CA-O 3.27Å; L762-S773 WeakPolarHBondContact CA-O 3.25Å; L762-Y774 HydrophobicContact CD2-CD2 4.1Å |
| 763 | E | 92.4 | Very high | 90.2 | Very high | 84 Ų | 84 | 76.6 Ų | 76.6 | 39% | 0.393 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 162 | 166.9 | 64.5 | -176.6 | 173.9 | 0 | 0 | 110.8 | Y772 S773 L775 | E763-Y772 CarbonylContact O-C 3.54Å; E763-Y772 VanDerWaalsContact O-CA 3.28Å; E763-Y772 WeakPolarHBondContact O-CA 3.44Å; E763-S773 PolarHBondContact N-O 3.27Å; E763-S773 PolarHBondContact O-N 2.97Å; E763-S773 PolarHBondContact OE1-OG 3.03Å; E763-L775 HydrophobicContact CB-CD1 3.92Å; E763-L775 HydrophobicContact CB-CD2 4.24Å; E763-L775 HydrophobicContact CB-CG 4.07Å; E763-L775 HydrophobicContact CG-CD1 4.4Å; E763-L775 HydrophobicContact CG-CD2 3.85Å; E763-L775 HydrophobicContact CG-CG 3.99Å; E763-L775 WeakPolarHBondContact OE2-CD2 3.39Å |
| 764 | R | 92.3 | Very high | 90.3 | Very high | 116 Ų | 116 | 77.9 Ų | 77.9 | 44% | 0.438 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 133.2 | 168 | -62.7 | -174.6 | -174.6 | -151.4 | 5 | 108 | D754 I757 Y772 | D754-R764 IonicContact OD1-NH2 3.69Å; I757-R764 HydrophobicContact CD1-CG 4.15Å; R764-Y772 HydrophobicContact CG-CD1 4.13Å; R764-Y772 HydrophobicContact CG-CE1 4.06Å |
| 765 | V | 89.4 | Confident | 90 | Very high | 47 Ų | 47 | 78.5 Ų | 78.5 | 29% | 0.285 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 134.4 | 178.7 | 178.8 | 0 | 0 | 0 | 0 | 109.7 | V724 G767 E768 T771 | V724-V765 HydrophobicContact CG1-CG2 4.39Å; V765-G767 PolarHBondContact O-N 3.15Å; V765-E768 CarbonylContact O-C 3.57Å; V765-E768 PolarHBondContact O-N 2.9Å; V765-T771 HydrophobicContact CB-CG2 4.22Å; V765-T771 HydrophobicContact CG2-CG2 3.72Å; V765-T771 PolarHBondContact N-O 3.31Å |
| 766 | D | 80.9 | Confident | 88.9 | Confident | 163 Ų | 163 | 80.5 Ų | 80.5 | 87% | 0.872 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 127.2 | 178.1 | -75.1 | -32.9 | 0 | 0 | 0 | 111.3 | E768 | D766-E768 VanDerWaalsContact C-N 3.31Å; D766-E768 PolarHBondContact O-N 2.86Å |
| 767 | G | 77.8 | Confident | 88.6 | Confident | 89 Ų | 89 | 84.4 Ų | 84.4 | 92% | 0.918 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.7 | -13.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | V765 | V765-G767 PolarHBondContact O-N 3.15Š|
| 768 | E | 85.9 | Confident | 88.4 | Confident | 97 Ų | 97 | 86.3 Ų | 86.3 | 45% | 0.453 | 45% | 0.451 | S | S | . | . | trans | -127.3 | 92.2 | -179.7 | -67 | -166.5 | 175 | 0 | 0 | 112.5 | V765 D766 D770 T771 | V765-E768 CarbonylContact O-C 3.57Å; V765-E768 PolarHBondContact O-N 2.9Å; D766-E768 VanDerWaalsContact C-N 3.31Å; D766-E768 PolarHBondContact O-N 2.86Å; E768-D770 PolarHBondContact O-N 3.13Å; E768-T771 PolarHBondContact O-N 3.06Å; E768-T771 VanDerWaalsContact O-N 3.11Å; E768-T771 WeakPolarHBondContact OE2-CB 3.27Å; E768-T771 PolarHBondContact OE2-OG1 3.44Å | ||
| 769 | K | 80.2 | Confident | 88.1 | Confident | 168 Ų | 168 | 82.4 Ų | 82.4 | 73% | 0.73 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -20.4 | -178 | -70.8 | -174 | 178.4 | 179.8 | 0 | 115.1 | ||
| 770 | D | 88.9 | Confident | 87.8 | Confident | 112 Ų | 112 | 80.8 Ų | 80.8 | 60% | 0.599 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | 7.9 | -177.6 | -69 | -24.6 | 0 | 0 | 0 | 113.3 | K726 H727 E768 | K726-D770 CarbonylContact C-O 3.36Å; K726-D770 WeakPolarHBondContact CA-O 3.35Å; H727-D770 PolarHBondContact N-O 2.85Å; E768-D770 PolarHBondContact O-N 3.13Å |
| 771 | T | 91.8 | Very high | 87.6 | Confident | 8 Ų | 8 | 76.3 Ų | 76.3 | 5% | 0.049 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 129.2 | -178.7 | -57.2 | 0 | 0 | 0 | 0 | 110 | V724 V765 E768 | V724-T771 HydrophobicContact CG1-CG2 3.49Å; V724-T771 VanDerWaalsContact CG1-CG2 3.49Å; V765-T771 HydrophobicContact CB-CG2 4.22Å; V765-T771 HydrophobicContact CG2-CG2 3.72Å; V765-T771 PolarHBondContact N-O 3.31Å; E768-T771 PolarHBondContact O-N 3.06Å; E768-T771 VanDerWaalsContact O-N 3.11Å; E768-T771 WeakPolarHBondContact OE2-CB 3.27Å; E768-T771 PolarHBondContact OE2-OG1 3.44Å |
| 772 | Y | 93.9 | Very high | 87.4 | Confident | 10 Ų | 10 | 74.7 Ų | 74.7 | 4% | 0.039 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 143.1 | 178 | -54.6 | -68.2 | 0 | 0 | 0 | 110.6 | M719 V724 L725 H727 L730 I753 I757 E763 R764 | M719-Y772 VanDerWaalsContact CE-O 3.31Å; M719-Y772 WeakPolarHBondContact CE-O 3.28Å; V724-Y772 VanDerWaalsContact CA-O 3.28Å; V724-Y772 WeakPolarHBondContact CA-O 3.28Å; L725-Y772 PolarHBondContact N-O 3.45Å; L725-Y772 PolarHBondContact O-N 3.32Å; H727-Y772 HydrophobicContact CB-CE2 3.83Å; H727-Y772 AromaticContact ND1-CE2 3.44Å; H727-Y772 WeakPolarHBondContact ND1-CE2 3.31Å; H727-Y772 AromaticContact ND1-CZ 3.63Å; H727-Y772 PolarHBondContact ND1-OH 3.5Å; L730-Y772 HydrophobicContact CD2-CD2 3.82Å; L730-Y772 HydrophobicContact CD2-CE2 4.18Å; I753-Y772 HydrophobicContact CD1-CE2 4.26Å; I753-Y772 HydrophobicContact CG2-CD1 4.29Å; I753-Y772 HydrophobicContact CG2-CE1 3.76Å; I753-Y772 HydrophobicContact CG2-CE2 4.36Å; I757-Y772 HydrophobicContact CD1-CD1 4.4Å; I757-Y772 HydrophobicContact CD1-CE1 4.19Å; E763-Y772 CarbonylContact O-C 3.54Å; E763-Y772 VanDerWaalsContact O-CA 3.28Å; E763-Y772 WeakPolarHBondContact O-CA 3.44Å; R764-Y772 HydrophobicContact CG-CD1 4.13Å; R764-Y772 HydrophobicContact CG-CE1 4.06Å |
| 773 | S | 92.4 | Very high | 87 | Confident | 22 Ų | 22 | 79.9 Ų | 79.9 | 15% | 0.154 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 146.7 | 172 | 174.1 | 0 | 0 | 0 | 0 | 109.7 | K723 L762 E763 | K723-S773 CarbonylContact O-C 3.56Å; K723-S773 WeakPolarHBondContact O-CA 3.27Å; L762-S773 CarbonylContact C-O 3.55Å; L762-S773 VanDerWaalsContact CA-O 3.27Å; L762-S773 WeakPolarHBondContact CA-O 3.25Å; E763-S773 PolarHBondContact N-O 3.27Å; E763-S773 PolarHBondContact O-N 2.97Å; E763-S773 PolarHBondContact OE1-OG 3.03Å |
| 774 | Y | 94.3 | Very high | 86.6 | Confident | 27 Ų | 27 | 79.6 Ų | 79.6 | 11% | 0.106 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 126.8 | 178.3 | -179.7 | -108.1 | 0 | 0 | 0 | 110.8 | V716 M719 K720 K723 Y761 L762 A776 | V716-Y774 HydrophobicContact CG1-CE2 4.19Å; M719-Y774 HydrophobicContact CB-CD2 3.94Å; M719-Y774 HydrophobicContact CB-CG 4.36Å; M719-Y774 WeakPolarHBondContact O-CB 3.41Å; K720-Y774 HydrophobicContact CB-CD1 4.3Å; K720-Y774 HydrophobicContact CB-CE1 3.78Å; K720-Y774 HydrophobicContact CB-CE2 4.11Å; K720-Y774 HydrophobicContact CD-CE1 4.46Å; K720-Y774 HydrophobicContact CG-CE1 3.76Å; K723-Y774 HydrophobicContact CD-CD1 4.24Å; K723-Y774 PolarHBondContact O-N 3.4Å; Y761-Y774 VanDerWaalsContact O-CD2 3.27Å; Y761-Y774 WeakPolarHBondContact O-CD2 2.83Å; L762-Y774 HydrophobicContact CD2-CD2 4.1Å; Y774-A776 WeakPolarHBondContact CD1-O 3.42Å; Y774-A776 HydrophobicContact CE1-CB 4.26Å; Y774-A776 WeakPolarHBondContact CE1-O 3.33Å; Y774-A776 HydrophobicContact CE2-CB 4.29Å; Y774-A776 WeakPolarHBondContact OH-CB 3.41Å |
| 775 | L | 86.6 | Confident | 86.1 | Confident | 81 Ų | 81 | 76.6 Ų | 76.6 | 42% | 0.424 | 45% | 0.451 | S | S | . | . | trans | -95.4 | -17.7 | -168.8 | -77.7 | 177.2 | 0 | 0 | 0 | 115.5 | E760 Y761 E763 | E760-L775 HydrophobicContact CB-CD1 4.47Å; E760-L775 WeakPolarHBondContact O-CB 3.46Å; Y761-L775 PolarHBondContact O-N 2.93Å; Y761-L775 VanDerWaalsContact O-N 3.13Å; E763-L775 HydrophobicContact CB-CD1 3.92Å; E763-L775 HydrophobicContact CB-CD2 4.24Å; E763-L775 HydrophobicContact CB-CG 4.07Å; E763-L775 HydrophobicContact CG-CD1 4.4Å; E763-L775 HydrophobicContact CG-CD2 3.85Å; E763-L775 HydrophobicContact CG-CG 3.99Å; E763-L775 WeakPolarHBondContact OE2-CD2 3.39Å | ||
| 776 | A | 70.9 | Confident | 85.8 | Confident | 95 Ų | 95 | 79.3 Ų | 79.3 | 79% | 0.785 | 47% | 0.466 | S | S | * | . | trans | -106.5 | 0 | -166.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | Y761 Y774 | Y761-A776 HydrophobicContact CD1-CB 4.44Å; Y774-A776 WeakPolarHBondContact CD1-O 3.42Å; Y774-A776 HydrophobicContact CE1-CB 4.26Å; Y774-A776 WeakPolarHBondContact CE1-O 3.33Å; Y774-A776 HydrophobicContact CE2-CB 4.29Å; Y774-A776 WeakPolarHBondContact OH-CB 3.41Å |
Retrieved 776 of 776 residues in 1453.3 ms
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