| 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 | 30.4 | Very low | 26.8 | Very low | 63 Ų | 63 | 71.7 Ų | 71.7 | 31% | 0.31 | 44% | 0.444 | S | S | . | . | 0 | 99.9 | 0 | -89.4 | -168.5 | -45.6 | 0 | 0 | 108.8 | E12 F836 | M1-E12 PolarHBondContact N-OE1 3.32Å; M1-F836 HydrophobicContact CG-CE2 4.49Å; M1-F836 HydrophobicContact CG-CZ 3.98Å | |||
| 2 | V | 26.6 | Very low | 27.4 | Very low | 75 Ų | 75 | 74.6 Ų | 74.6 | 46% | 0.455 | 45% | 0.448 | S | S | . | . | trans | -136.7 | -2.1 | -160 | 164.4 | 0 | 0 | 0 | 0 | 116.7 | S10 E12 | V2-S10 VanDerWaalsContact CG1-CB 3.45Å; V2-E12 HydrophobicContact CG2-CB 3.85Å; V2-E12 HydrophobicContact CG2-CG 3.98Å | ||
| 3 | A | 24.5 | Very low | 28.7 | Very low | 50 Ų | 50 | 72.4 Ų | 72.4 | 41% | 0.413 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -108.9 | -10.4 | -169.3 | 0 | 0 | 0 | 0 | 0 | 118 | P936 | A3-P936 HydrophobicContact CB-CB 4.23Š|
| 4 | A | 25.3 | Very low | 30.6 | Very low | 45 Ų | 45 | 68.4 Ų | 68.4 | 37% | 0.372 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -143.6 | 14.6 | -167 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 5 | H | 25.7 | Very low | 33.5 | Very low | 120 Ų | 120 | 70.2 Ų | 70.2 | 56% | 0.556 | 42% | 0.419 | S | S | * | . | trans | -98.3 | 124.3 | 167.4 | -72.2 | -58 | 0 | 0 | 0 | 110 | S7 | H5-S7 PolarHBondContact O-N 3.32Š| ||
| 6 | T | 24.1 | Very low | 36.3 | Very low | 109 Ų | 109 | 66.8 Ų | 66.8 | 67% | 0.669 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -70.3 | 38.6 | 178.1 | 43.9 | 0 | 0 | 0 | 0 | 113.4 | ||
| 7 | S | 22.1 | Very low | 39 | Very low | 73 Ų | 73 | 64 Ų | 64 | 51% | 0.51 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -107.2 | 128 | 158.1 | 55.3 | 0 | 0 | 0 | 0 | 107.3 | H5 H9 | H5-S7 PolarHBondContact O-N 3.32Å; S7-H9 CarbonylContact O-C 3.54Å; S7-H9 PolarHBondContact O-N 3.1Å; S7-H9 PolarHBondContact OG-O 3.5Å |
| 8 | S | 24 | Very low | 41.2 | Very low | 86 Ų | 86 | 66.2 Ų | 66.2 | 60% | 0.601 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -52.9 | 7.6 | 178.3 | 51.1 | 0 | 0 | 0 | 0 | 116.3 | ||
| 9 | H | 28.6 | Very low | 43.5 | Very low | 75 Ų | 75 | 63 Ų | 63 | 35% | 0.347 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -134.8 | 111.1 | 172.6 | -53.9 | -69.7 | 0 | 0 | 0 | 108 | S7 A14 | S7-H9 CarbonylContact O-C 3.54Å; S7-H9 PolarHBondContact O-N 3.1Å; S7-H9 PolarHBondContact OG-O 3.5Å; H9-A14 HydrophobicContact CB-CB 3.61Å |
| 10 | S | 29.1 | Very low | 45.5 | Very low | 36 Ų | 36 | 60 Ų | 60 | 25% | 0.252 | 35% | 0.351 | S | S | . | . | trans | -62.2 | 141.2 | 165.2 | 65.6 | 0 | 0 | 0 | 0 | 108.7 | V2 E12 S13 A14 | V2-S10 VanDerWaalsContact CG1-CB 3.45Å; S10-E12 PolarHBondContact O-N 3.3Å; S10-E12 VanDerWaalsContact O-N 3.13Å; S10-S13 PolarHBondContact N-OG 3.26Å; S10-S13 VanDerWaalsContact N-OG 3.17Å; S10-S13 WeakPolarHBondContact O-CA 3.42Å; S10-S13 PolarHBondContact O-N 3.34Å; S10-S13 PolarHBondContact O-OG 3.27Å; S10-S13 WeakPolarHBondContact OG-CB 3.39Å; S10-S13 PolarHBondContact OG-OG 2.66Å; S10-A14 PolarHBondContact O-N 3.12Å | ||
| 11 | S | 34.4 | Very low | 47.4 | Very low | 57 Ų | 57 | 62.4 Ų | 62.4 | 40% | 0.399 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.1 | -30.9 | -169.2 | 80.2 | 0 | 0 | 0 | 0 | 113.2 | S13 E15 | S11-S13 VanDerWaalsContact C-N 3.35Å; S11-E15 PolarHBondContact O-N 2.95Å |
| 12 | E | 33.4 | Very low | 49.9 | Very low | 106 Ų | 106 | 63 Ų | 63 | 50% | 0.495 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -73.4 | -22 | 172.7 | -71.5 | 167.5 | -154.4 | 0 | 0 | 113.4 | M1 V2 S10 | M1-E12 PolarHBondContact N-OE1 3.32Å; V2-E12 HydrophobicContact CG2-CB 3.85Å; V2-E12 HydrophobicContact CG2-CG 3.98Å; S10-E12 PolarHBondContact O-N 3.3Å; S10-E12 VanDerWaalsContact O-N 3.13Å |
| 13 | S | 44.6 | Very low | 52.6 | Low | 46 Ų | 46 | 67.2 Ų | 67.2 | 32% | 0.322 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -88 | -13.9 | 177.8 | 74.6 | 0 | 0 | 0 | 0 | 114.6 | S10 S11 W16 | S10-S13 PolarHBondContact N-OG 3.26Å; S10-S13 VanDerWaalsContact N-OG 3.17Å; S10-S13 WeakPolarHBondContact O-CA 3.42Å; S10-S13 PolarHBondContact O-N 3.34Å; S10-S13 PolarHBondContact O-OG 3.27Å; S10-S13 WeakPolarHBondContact OG-CB 3.39Å; S10-S13 PolarHBondContact OG-OG 2.66Å; S11-S13 VanDerWaalsContact C-N 3.35Å; S13-W16 PolarHBondContact O-NE1 2.99Å |
| 14 | A | 56.2 | Low | 55.6 | Low | 16 Ų | 16 | 67.1 Ų | 67.1 | 13% | 0.132 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -109.3 | -10.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | H9 S10 W16 I17 I18 | H9-A14 HydrophobicContact CB-CB 3.61Å; S10-A14 PolarHBondContact O-N 3.12Å; A14-W16 VanDerWaalsContact C-N 3.26Å; A14-W16 PolarHBondContact O-N 3.05Å; A14-I17 WeakPolarHBondContact O-CB 3.36Å; A14-I17 PolarHBondContact O-N 3.13Å; A14-I18 PolarHBondContact O-N 3.22Å; A14-I18 VanDerWaalsContact O-N 3.16Å |
| 15 | E | 72.9 | Confident | 58.4 | Low | 96 Ų | 96 | 70 Ų | 70 | 45% | 0.449 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -55.2 | -40.2 | -179 | -90.4 | 177.2 | -174.9 | 0 | 0 | 113 | S11 I17 I18 C19 I34 | S11-E15 PolarHBondContact O-N 2.95Å; E15-I17 VanDerWaalsContact C-N 3.29Å; E15-I17 PolarHBondContact O-N 2.86Å; E15-I18 PolarHBondContact O-N 3.17Å; E15-C19 PolarHBondContact O-N 2.9Å; E15-C19 PolarHBondContact O-SG 3.4Å; E15-I34 HydrophobicContact CB-CG2 4.29Å |
| 16 | W | 79.2 | Confident | 61.3 | Low | 16 Ų | 16 | 69 Ų | 69 | 6% | 0.061 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -67.4 | -27.9 | 177.7 | 71.1 | -82.4 | 0 | 0 | 0 | 113.3 | S13 A14 C19 L20 I34 R38 Y62 L85 | S13-W16 PolarHBondContact O-NE1 2.99Å; A14-W16 VanDerWaalsContact C-N 3.26Å; A14-W16 PolarHBondContact O-N 3.05Å; W16-C19 WeakPolarHBondContact O-CB 3.36Å; W16-C19 PolarHBondContact O-N 3.38Å; W16-L20 HydrophobicContact CE3-CD1 3.54Å; W16-L20 HydrophobicContact CE3-CG 4.46Å; W16-L20 HydrophobicContact CZ3-CD1 3.45Å; W16-L20 VanDerWaalsContact CZ3-CD1 3.45Å; W16-L20 PolarHBondContact O-N 3.5Å; W16-I34 HydrophobicContact CB-CG2 3.9Å; W16-R38 HydrophobicContact CB-CB 4.05Å; W16-R38 HydrophobicContact CB-CG 4.48Å; W16-R38 HydrophobicContact CD2-CB 4.08Å; W16-R38 HydrophobicContact CD2-CG 3.63Å; W16-R38 HydrophobicContact CE3-CG 4.17Å; W16-R38 HydrophobicContact CG-CB 3.83Å; W16-R38 HydrophobicContact CG-CG 3.72Å; W16-R38 HydrophobicContact CZ2-CG 4.38Å; W16-Y62 HydrophobicContact CH2-CD2 4.12Å; W16-Y62 AromaticContact CH2-CE2 3.88Å; W16-Y62 HydrophobicContact CH2-CE2 3.88Å; W16-Y62 HydrophobicContact CZ3-CD2 4.23Å; W16-Y62 HydrophobicContact CZ3-CE2 4.45Å; W16-L85 HydrophobicContact CH2-CD1 3.71Å; W16-L85 HydrophobicContact CZ3-CD1 3.87Å |
| 17 | I | 81.3 | Confident | 64.4 | Low | 19 Ų | 19 | 65 Ų | 65 | 10% | 0.097 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -70 | -46.6 | 174.7 | -58.4 | 176.2 | 0 | 0 | 0 | 108.9 | A14 E15 C19 L20 D21 Y62 | A14-I17 WeakPolarHBondContact O-CB 3.36Å; A14-I17 PolarHBondContact O-N 3.13Å; E15-I17 VanDerWaalsContact C-N 3.29Å; E15-I17 PolarHBondContact O-N 2.86Å; I17-C19 PolarHBondContact O-N 3.18Å; I17-L20 CarbonylContact O-C 3.59Å; I17-L20 WeakPolarHBondContact O-CA 3.43Å; I17-L20 PolarHBondContact O-N 3.03Å; I17-D21 PolarHBondContact O-N 2.89Å; I17-Y62 HydrophobicContact CD1-CE1 4.49Å; I17-Y62 HydrophobicContact CD1-CE2 4.44Å; I17-Y62 HydrophobicContact CG1-CE2 4.4Å; I17-Y62 HydrophobicContact CG2-CD1 3.65Å; I17-Y62 HydrophobicContact CG2-CE1 3.65Å; I17-Y62 HydrophobicContact CG2-CG 4.15Å |
| 18 | I | 80 | Confident | 67.4 | Low | 103 Ų | 103 | 64 Ų | 64 | 53% | 0.528 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57 | -38.7 | 174.6 | -59.5 | 171.1 | 0 | 0 | 0 | 110.3 | A14 E15 D21 K22 | A14-I18 PolarHBondContact O-N 3.22Å; A14-I18 VanDerWaalsContact O-N 3.16Å; E15-I18 PolarHBondContact O-N 3.17Å; I18-D21 PolarHBondContact O-N 3.15Å; I18-K22 PolarHBondContact O-N 3.28Å |
| 19 | C | 84.5 | Confident | 70.1 | Confident | 6 Ų | 6 | 62.5 Ų | 62.5 | 4% | 0.041 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.7 | -37 | 174.9 | -63.3 | 0 | 0 | 0 | 0 | 112.8 | E15 W16 I17 K22 R27 D31 I35 | E15-C19 PolarHBondContact O-N 2.9Å; E15-C19 PolarHBondContact O-SG 3.4Å; W16-C19 WeakPolarHBondContact O-CB 3.36Å; W16-C19 PolarHBondContact O-N 3.38Å; I17-C19 PolarHBondContact O-N 3.18Å; C19-K22 WeakPolarHBondContact O-CB 3.33Å; C19-R27 PolarHBondContact O-NE 2.88Å; C19-D31 HydrophobicContact CB-CB 4.02Å; C19-D31 PolarHBondContact SG-OD1 2.74Å; C19-D31 VanDerWaalsContact SG-OD1 3.4Å; C19-I35 HydrophobicContact CB-CD1 3.67Å; C19-I35 HydrophobicContact CB-CG1 3.56Å |
| 20 | L | 84 | Confident | 72.6 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.01 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -75.5 | -28.6 | 176.2 | -77.9 | 174 | 0 | 0 | 0 | 113.5 | W16 I17 K22 R27 I35 | W16-L20 HydrophobicContact CE3-CD1 3.54Å; W16-L20 HydrophobicContact CE3-CG 4.46Å; W16-L20 HydrophobicContact CZ3-CD1 3.45Å; W16-L20 VanDerWaalsContact CZ3-CD1 3.45Å; W16-L20 PolarHBondContact O-N 3.5Å; I17-L20 CarbonylContact O-C 3.59Å; I17-L20 WeakPolarHBondContact O-CA 3.43Å; I17-L20 PolarHBondContact O-N 3.03Å; L20-K22 PolarHBondContact O-N 2.9Å; L20-R27 PolarHBondContact O-NH2 3.34Å; L20-I35 HydrophobicContact CD1-CG2 4.46Å; L20-I35 HydrophobicContact CD2-CD1 3.8Å; L20-I35 HydrophobicContact CD2-CG1 4.27Å; L20-I35 HydrophobicContact CD2-CG2 3.95Å; L20-I35 HydrophobicContact CG-CD1 3.97Å; L20-I35 HydrophobicContact CG-CG1 4.04Å; L20-I35 HydrophobicContact CG-CG2 4.17Å |
| 21 | D | 83.6 | Confident | 75.1 | Confident | 111 Ų | 111 | 64.8 Ų | 64.8 | 59% | 0.594 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -67.1 | -26.6 | 174.7 | -74.8 | -18.2 | 0 | 0 | 0 | 112 | I17 I18 R23 | I17-D21 PolarHBondContact O-N 2.89Å; I18-D21 PolarHBondContact O-N 3.15Å; D21-R23 PolarHBondContact O-N 3.01Å |
| 22 | K | 83.3 | Confident | 77.5 | Confident | 76 Ų | 76 | 62.5 Ų | 62.5 | 33% | 0.33 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -61 | 136.1 | 168.8 | -64.7 | 175.3 | 179.4 | 176.4 | 0 | 109.7 | I18 C19 L20 R27 D31 | I18-K22 PolarHBondContact O-N 3.28Å; C19-K22 WeakPolarHBondContact O-CB 3.33Å; L20-K22 PolarHBondContact O-N 2.9Å; K22-R27 HydrophobicContact CB-CG 4.15Å; K22-R27 PolarHBondContact O-NE 2.87Å; K22-R27 VanDerWaalsContact O-NE 3.15Å; K22-R27 PolarHBondContact O-NH2 3.07Å; K22-R27 VanDerWaalsContact O-NH2 3.12Å; K22-D31 IonicContact NZ-OD1 3.54Å; K22-D31 PolarHBondContact NZ-OD1 3.18Å; K22-D31 IonicContact NZ-OD2 3.38Å; K22-D31 PolarHBondContact NZ-OD2 3.09Å |
| 23 | R | 84 | Confident | 79.9 | Confident | 163 Ų | 163 | 62 Ų | 62 | 62% | 0.615 | 34% | 0.341 | S | S | * | . | trans | -58.9 | 145.8 | 175.3 | -64.6 | -174.8 | -77.3 | -168.4 | -4 | 109.3 | D21 A25 E26 | D21-R23 PolarHBondContact O-N 3.01Å; R23-A25 PolarHBondContact O-N 3.11Å; R23-E26 HydrophobicContact CB-CG 4.29Å; R23-E26 WeakPolarHBondContact CB-OE2 3.33Å; R23-E26 IonicContact CZ-OE1 3.03Å; R23-E26 VanDerWaalsContact CZ-OE1 3.23Å; R23-E26 PolarHBondContact N-OE2 2.92Å; R23-E26 IonicContact NE-OE1 3.45Å; R23-E26 PolarHBondContact NE-OE1 3.29Å; R23-E26 IonicContact NE-OE2 3.91Å; R23-E26 PolarHBondContact NE-OE2 3.23Å; R23-E26 IonicContact NH2-OE1 2.66Å; R23-E26 PolarHBondContact NH2-OE1 3.37Å; R23-E26 WeakPolarHBondContact O-CA 3.49Å; R23-E26 WeakPolarHBondContact O-CB 3.5Å; R23-E26 PolarHBondContact O-N 2.76Å | ||
| 24 | P | 86.8 | Confident | 81.7 | Confident | 49 Ų | 49 | 62.8 Ų | 62.8 | 32% | 0.318 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -46.5 | -38.5 | 179 | -35.3 | 38.9 | 0 | 0 | 0 | 115 | E26 L58 F61 | P24-E26 VanDerWaalsContact C-N 3.28Å; P24-E26 PolarHBondContact O-N 2.81Å; P24-L58 WeakPolarHBondContact CB-O 3.47Å; P24-F61 HydrophobicContact CG-CE1 4.19Å; P24-F61 HydrophobicContact CG-CE2 4.22Å; P24-F61 HydrophobicContact CG-CZ 3.71Å |
| 25 | A | 84.3 | Confident | 83.1 | Confident | 104 Ų | 104 | 62 Ų | 62 | 86% | 0.86 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -72.2 | -14.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | R23 | R23-A25 PolarHBondContact O-N 3.11Š|
| 26 | E | 86.9 | Confident | 83.7 | Confident | 101 Ų | 101 | 57.9 Ų | 57.9 | 47% | 0.472 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -104.1 | -0.4 | -175.5 | -64 | 170.6 | 162.6 | 0 | 0 | 112.6 | R23 P24 | R23-E26 HydrophobicContact CB-CG 4.29Å; R23-E26 WeakPolarHBondContact CB-OE2 3.33Å; R23-E26 IonicContact CZ-OE1 3.03Å; R23-E26 VanDerWaalsContact CZ-OE1 3.23Å; R23-E26 PolarHBondContact N-OE2 2.92Å; R23-E26 IonicContact NE-OE1 3.45Å; R23-E26 PolarHBondContact NE-OE1 3.29Å; R23-E26 IonicContact NE-OE2 3.91Å; R23-E26 PolarHBondContact NE-OE2 3.23Å; R23-E26 IonicContact NH2-OE1 2.66Å; R23-E26 PolarHBondContact NH2-OE1 3.37Å; R23-E26 WeakPolarHBondContact O-CA 3.49Å; R23-E26 WeakPolarHBondContact O-CB 3.5Å; R23-E26 PolarHBondContact O-N 2.76Å; P24-E26 VanDerWaalsContact C-N 3.28Å; P24-E26 PolarHBondContact O-N 2.81Å |
| 27 | R | 88.3 | Confident | 83.8 | Confident | 25 Ų | 25 | 59.8 Ų | 59.8 | 9% | 0.094 | 34% | 0.335 | C | S | . | . | trans | -77.8 | 130.9 | -178.4 | -66.7 | -178.8 | -174.3 | 160.4 | 8.2 | 111.4 | C19 L20 K22 D31 C57 L58 G60 | C19-R27 PolarHBondContact O-NE 2.88Å; L20-R27 PolarHBondContact O-NH2 3.34Å; K22-R27 HydrophobicContact CB-CG 4.15Å; K22-R27 PolarHBondContact O-NE 2.87Å; K22-R27 VanDerWaalsContact O-NE 3.15Å; K22-R27 PolarHBondContact O-NH2 3.07Å; K22-R27 VanDerWaalsContact O-NH2 3.12Å; R27-D31 HydrophobicContact CB-CB 4.39Å; R27-C57 PolarHBondContact NH1-O 3.42Å; R27-L58 PolarHBondContact NH1-O 3.4Å; R27-G60 VanDerWaalsContact CZ-O 3.26Å; R27-G60 PolarHBondContact NH1-O 2.9Å; R27-G60 PolarHBondContact NH2-O 3.22Å | ||
| 28 | S | 86.3 | Confident | 83.8 | Confident | 51 Ų | 51 | 64.9 Ų | 64.9 | 36% | 0.357 | 35% | 0.353 | S | S | . | . | trans | -85.3 | 170 | 171.5 | 69.7 | 0 | 0 | 0 | 0 | 111.9 | E30 D31 V32 | S28-E30 VanDerWaalsContact C-N 3.29Å; S28-E30 PolarHBondContact O-N 3.34Å; S28-D31 WeakPolarHBondContact CB-OD2 3.2Å; S28-D31 PolarHBondContact N-OD2 3.27Å; S28-D31 PolarHBondContact O-N 3.4Å; S28-D31 PolarHBondContact OG-N 3.41Å; S28-D31 PolarHBondContact OG-OD2 3.2Å; S28-V32 WeakPolarHBondContact O-CG2 3.42Å; S28-V32 PolarHBondContact O-N 3.32Å | ||
| 29 | G | 81 | Confident | 83.9 | Confident | 54 Ų | 54 | 60 Ų | 60 | 56% | 0.557 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -60.2 | -38.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V32 D33 | G29-V32 PolarHBondContact O-N 3.32Å; G29-D33 PolarHBondContact O-N 3.45Å |
| 30 | E | 81.2 | Confident | 83.7 | Confident | 149 Ų | 149 | 65.9 Ų | 65.9 | 70% | 0.696 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -64.8 | -40.8 | 176.8 | -65.9 | -179.3 | 177.2 | 0 | 0 | 111.7 | S28 V32 D33 I34 | S28-E30 VanDerWaalsContact C-N 3.29Å; S28-E30 PolarHBondContact O-N 3.34Å; E30-V32 VanDerWaalsContact C-N 3.29Å; E30-V32 PolarHBondContact O-N 2.9Å; E30-D33 PolarHBondContact O-N 3.37Å; E30-I34 VanDerWaalsContact O-CG1 3.29Å; E30-I34 WeakPolarHBondContact O-CG1 3.45Å; E30-I34 PolarHBondContact O-N 2.85Å |
| 31 | D | 81.1 | Confident | 83 | Confident | 11 Ų | 11 | 72.1 Ų | 72.1 | 6% | 0.059 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58.6 | -44.3 | 175.7 | -63.6 | -44.5 | 0 | 0 | 0 | 110.9 | C19 K22 R27 S28 I34 I35 | C19-D31 HydrophobicContact CB-CB 4.02Å; C19-D31 PolarHBondContact SG-OD1 2.74Å; C19-D31 VanDerWaalsContact SG-OD1 3.4Å; K22-D31 IonicContact NZ-OD1 3.54Å; K22-D31 PolarHBondContact NZ-OD1 3.18Å; K22-D31 IonicContact NZ-OD2 3.38Å; K22-D31 PolarHBondContact NZ-OD2 3.09Å; R27-D31 HydrophobicContact CB-CB 4.39Å; S28-D31 WeakPolarHBondContact CB-OD2 3.2Å; S28-D31 PolarHBondContact N-OD2 3.27Å; S28-D31 PolarHBondContact O-N 3.4Å; S28-D31 PolarHBondContact OG-N 3.41Å; S28-D31 PolarHBondContact OG-OD2 3.2Å; D31-I34 PolarHBondContact O-N 3.01Å; D31-I35 WeakPolarHBondContact O-CD1 3.45Å; D31-I35 WeakPolarHBondContact O-CG1 3.41Å; D31-I35 PolarHBondContact O-N 2.84Å |
| 32 | V | 85.8 | Confident | 82.3 | Confident | 8 Ų | 8 | 67.8 Ų | 67.8 | 5% | 0.048 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.3 | -41 | 177.9 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | S28 G29 E30 I35 L36 Q54 C57 L58 | S28-V32 WeakPolarHBondContact O-CG2 3.42Å; S28-V32 PolarHBondContact O-N 3.32Å; G29-V32 PolarHBondContact O-N 3.32Å; E30-V32 VanDerWaalsContact C-N 3.29Å; E30-V32 PolarHBondContact O-N 2.9Å; V32-I35 PolarHBondContact O-N 3.05Å; V32-L36 WeakPolarHBondContact O-CB 3.24Å; V32-L36 PolarHBondContact O-N 3.01Å; V32-Q54 HydrophobicContact CG1-CG 4.08Å; V32-C57 HydrophobicContact CG1-CB 3.94Å; V32-L58 HydrophobicContact CG2-CD2 3.55Å; V32-L58 HydrophobicContact CG2-CG 4.23Å |
| 33 | D | 83.3 | Confident | 81.2 | Confident | 97 Ų | 97 | 69.9 Ų | 69.9 | 52% | 0.519 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.5 | -39.6 | 178.6 | -72.4 | -25.3 | 0 | 0 | 0 | 111.9 | G29 E30 L36 A37 | G29-D33 PolarHBondContact O-N 3.45Å; E30-D33 PolarHBondContact O-N 3.37Å; D33-L36 PolarHBondContact O-N 3.29Å; D33-A37 VanDerWaalsContact O-CB 3.28Å; D33-A37 WeakPolarHBondContact O-CB 3.41Å; D33-A37 PolarHBondContact O-N 3.15Å |
| 34 | I | 81.8 | Confident | 80 | Confident | 61 Ų | 61 | 62.5 Ų | 62.5 | 31% | 0.313 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.2 | -48.4 | 175.2 | -66.4 | 165.5 | 0 | 0 | 0 | 110.5 | E15 W16 E30 D31 L36 A37 R38 | E15-I34 HydrophobicContact CB-CG2 4.29Å; W16-I34 HydrophobicContact CB-CG2 3.9Å; E30-I34 VanDerWaalsContact O-CG1 3.29Å; E30-I34 WeakPolarHBondContact O-CG1 3.45Å; E30-I34 PolarHBondContact O-N 2.85Å; D31-I34 PolarHBondContact O-N 3.01Å; I34-L36 PolarHBondContact O-N 2.84Å; I34-A37 PolarHBondContact O-N 3.33Å; I34-R38 PolarHBondContact O-N 3.2Å |
| 35 | I | 85.4 | Confident | 79.2 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61 | -46.9 | 177.1 | -63.1 | 162.6 | 0 | 0 | 0 | 110 | C19 L20 D31 V32 A37 R38 L39 C57 | C19-I35 HydrophobicContact CB-CD1 3.67Å; C19-I35 HydrophobicContact CB-CG1 3.56Å; L20-I35 HydrophobicContact CD1-CG2 4.46Å; L20-I35 HydrophobicContact CD2-CD1 3.8Å; L20-I35 HydrophobicContact CD2-CG1 4.27Å; L20-I35 HydrophobicContact CD2-CG2 3.95Å; L20-I35 HydrophobicContact CG-CD1 3.97Å; L20-I35 HydrophobicContact CG-CG1 4.04Å; L20-I35 HydrophobicContact CG-CG2 4.17Å; D31-I35 WeakPolarHBondContact O-CD1 3.45Å; D31-I35 WeakPolarHBondContact O-CG1 3.41Å; D31-I35 PolarHBondContact O-N 2.84Å; V32-I35 PolarHBondContact O-N 3.05Å; I35-A37 PolarHBondContact O-N 3.46Å; I35-R38 WeakPolarHBondContact O-CB 3.41Å; I35-R38 PolarHBondContact O-N 3.02Å; I35-L39 HydrophobicContact CG2-CD1 3.67Å; I35-L39 HydrophobicContact CG2-CG 3.88Å; I35-L39 WeakPolarHBondContact O-CG 3.42Å; I35-L39 PolarHBondContact O-N 3.37Å; I35-C57 HydrophobicContact CB-CB 4.27Å; I35-C57 HydrophobicContact CG2-CB 3.91Å |
| 36 | L | 85.1 | Confident | 78.4 | Confident | 9 Ų | 9 | 62 Ų | 62 | 5% | 0.047 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.5 | -41.3 | -177.8 | -177.1 | 62.2 | 0 | 0 | 0 | 111.7 | V32 D33 I34 R38 L39 R40 L53 Q54 | V32-L36 WeakPolarHBondContact O-CB 3.24Å; V32-L36 PolarHBondContact O-N 3.01Å; D33-L36 PolarHBondContact O-N 3.29Å; I34-L36 PolarHBondContact O-N 2.84Å; L36-R38 PolarHBondContact O-N 3.03Å; L36-L39 PolarHBondContact O-N 3.03Å; L36-R40 HydrophobicContact CD1-CG 4.04Å; L36-R40 HydrophobicContact CG-CG 4.31Å; L36-R40 VanDerWaalsContact O-CB 3.32Å; L36-R40 WeakPolarHBondContact O-CB 3.45Å; L36-R40 VanDerWaalsContact O-CG 3.24Å; L36-R40 WeakPolarHBondContact O-CG 3.47Å; L36-R40 PolarHBondContact O-N 2.86Å; L36-L53 HydrophobicContact CD1-CB 4.03Å; L36-L53 HydrophobicContact CD1-CD2 3.77Å; L36-L53 HydrophobicContact CD1-CG 3.68Å; L36-Q54 HydrophobicContact CD2-CB 4.47Å |
| 37 | A | 82.1 | Confident | 77.4 | Confident | 57 Ų | 57 | 63.6 Ų | 63.6 | 47% | 0.471 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.8 | -34.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | D33 I34 I35 N41 | D33-A37 VanDerWaalsContact O-CB 3.28Å; D33-A37 WeakPolarHBondContact O-CB 3.41Å; D33-A37 PolarHBondContact O-N 3.15Å; I34-A37 PolarHBondContact O-N 3.33Å; I35-A37 PolarHBondContact O-N 3.46Å; A37-N41 PolarHBondContact O-ND2 3.31Å |
| 38 | R | 81.5 | Confident | 76.7 | Confident | 126 Ų | 126 | 62.9 Ų | 62.9 | 48% | 0.475 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -76.4 | -53.4 | 174.7 | -169.8 | 70 | 177.3 | 142.8 | 0.5 | 112.4 | W16 I34 I35 L36 R40 N41 | W16-R38 HydrophobicContact CB-CB 4.05Å; W16-R38 HydrophobicContact CB-CG 4.48Å; W16-R38 HydrophobicContact CD2-CB 4.08Å; W16-R38 HydrophobicContact CD2-CG 3.63Å; W16-R38 HydrophobicContact CE3-CG 4.17Å; W16-R38 HydrophobicContact CG-CB 3.83Å; W16-R38 HydrophobicContact CG-CG 3.72Å; W16-R38 HydrophobicContact CZ2-CG 4.38Å; I34-R38 PolarHBondContact O-N 3.2Å; I35-R38 WeakPolarHBondContact O-CB 3.41Å; I35-R38 PolarHBondContact O-N 3.02Å; L36-R38 PolarHBondContact O-N 3.03Å; R38-R40 VanDerWaalsContact C-N 3.29Å; R38-R40 PolarHBondContact O-N 3.14Å; R38-N41 PolarHBondContact O-N 3.29Å; R38-N41 VanDerWaalsContact O-N 3.08Å |
| 39 | L | 81.3 | Confident | 76.4 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.6 | -30.6 | -173.8 | -66.6 | -170.7 | 0 | 0 | 0 | 112.7 | I35 L36 N41 V42 L45 L53 I56 L85 L137 | I35-L39 HydrophobicContact CG2-CD1 3.67Å; I35-L39 HydrophobicContact CG2-CG 3.88Å; I35-L39 WeakPolarHBondContact O-CG 3.42Å; I35-L39 PolarHBondContact O-N 3.37Å; L36-L39 PolarHBondContact O-N 3.03Å; L39-N41 PolarHBondContact O-N 2.71Å; L39-V42 HydrophobicContact CD2-CG2 4.36Å; L39-V42 WeakPolarHBondContact O-CB 3.5Å; L39-V42 PolarHBondContact O-N 2.63Å; L39-L45 HydrophobicContact CB-CD1 3.79Å; L39-L45 HydrophobicContact CD1-CD1 4.14Å; L39-L45 HydrophobicContact CD2-CD1 3.74Å; L39-L45 HydrophobicContact CG-CD1 4.09Å; L39-L53 HydrophobicContact CB-CD1 4.06Å; L39-L53 HydrophobicContact CB-CD2 4.42Å; L39-L53 HydrophobicContact CB-CG 4.39Å; L39-L53 HydrophobicContact CD1-CD1 4.5Å; L39-I56 HydrophobicContact CD1-CG2 4.46Å; L39-L85 HydrophobicContact CD2-CD2 4.11Å; L39-L137 HydrophobicContact CD1-CD2 4.14Å |
| 40 | R | 81.1 | Confident | 76.5 | Confident | 129 Ų | 129 | 65.3 Ų | 65.3 | 49% | 0.487 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -29.7 | 173.8 | -82.2 | 178 | 178.9 | 172.3 | 2.7 | 113.5 | L36 R38 V42 L53 | L36-R40 HydrophobicContact CD1-CG 4.04Å; L36-R40 HydrophobicContact CG-CG 4.31Å; L36-R40 VanDerWaalsContact O-CB 3.32Å; L36-R40 WeakPolarHBondContact O-CB 3.45Å; L36-R40 VanDerWaalsContact O-CG 3.24Å; L36-R40 WeakPolarHBondContact O-CG 3.47Å; L36-R40 PolarHBondContact O-N 2.86Å; R38-R40 VanDerWaalsContact C-N 3.29Å; R38-R40 PolarHBondContact O-N 3.14Å; R40-V42 VanDerWaalsContact C-N 3.34Å; R40-L53 HydrophobicContact CB-CD2 4.26Å; R40-L53 HydrophobicContact CG-CD2 3.54Å |
| 41 | N | 68.9 | Low | 76.6 | Confident | 133 Ų | 133 | 66.6 Ų | 66.6 | 71% | 0.711 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 2.3 | -179.1 | -65.7 | -48.8 | 0 | 0 | 0 | 112.6 | A37 R38 L39 | A37-N41 PolarHBondContact O-ND2 3.31Å; R38-N41 PolarHBondContact O-N 3.29Å; R38-N41 VanDerWaalsContact O-N 3.08Å; L39-N41 PolarHBondContact O-N 2.71Å |
| 42 | V | 68.1 | Low | 76.8 | Confident | 21 Ų | 21 | 66.1 Ų | 66.1 | 13% | 0.127 | 31% | 0.31 | C | S | . | . | trans | -85.3 | 117 | 173.7 | -179 | 0 | 0 | 0 | 0 | 107.6 | L39 R40 A44 L45 E46 L85 | L39-V42 HydrophobicContact CD2-CG2 4.36Å; L39-V42 WeakPolarHBondContact O-CB 3.5Å; L39-V42 PolarHBondContact O-N 2.63Å; R40-V42 VanDerWaalsContact C-N 3.34Å; V42-A44 HydrophobicContact CG1-CB 3.83Å; V42-A44 PolarHBondContact O-N 3.48Å; V42-L45 HydrophobicContact CB-CB 4.38Å; V42-L45 HydrophobicContact CB-CD1 4.21Å; V42-L45 HydrophobicContact CB-CG 4.21Å; V42-L45 HydrophobicContact CG1-CD1 4.42Å; V42-L45 HydrophobicContact CG1-CG 4.2Å; V42-L45 CarbonylContact O-C 3.55Å; V42-L45 WeakPolarHBondContact O-CA 3.38Å; V42-L45 PolarHBondContact O-N 3.29Å; V42-E46 PolarHBondContact O-N 3.28Å; V42-L85 HydrophobicContact CG1-CD2 4.21Å; V42-L85 HydrophobicContact CG2-CD2 4.34Å | ||
| 43 | K | 60.9 | Low | 76.9 | Confident | 120 Ų | 120 | 65.9 Ų | 65.9 | 52% | 0.522 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -33.2 | -178.5 | -164.6 | 172.7 | 179.9 | 171.7 | 0 | 113.3 | L45 E431 | K43-L45 VanDerWaalsContact C-N 3.27Å; K43-L45 PolarHBondContact O-N 2.87Å; K43-E431 WeakPolarHBondContact CE-OE2 3.49Å; K43-E431 IonicContact NZ-OE1 3.97Å; K43-E431 PolarHBondContact NZ-OE1 2.74Å; K43-E431 IonicContact NZ-OE2 3.69Å; K43-E431 PolarHBondContact NZ-OE2 3.44Å |
| 44 | A | 58.7 | Low | 77.1 | Confident | 7 Ų | 7 | 65.2 Ų | 65.2 | 6% | 0.058 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -38.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V42 G111 | V42-A44 HydrophobicContact CG1-CB 3.83Å; V42-A44 PolarHBondContact O-N 3.48Å; A44-G111 WeakPolarHBondContact CA-O 3.48Å; A44-G111 WeakPolarHBondContact CB-O 3.32Å |
| 45 | L | 70 | Confident | 77.4 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | -9.6 | -166.5 | -53.3 | 179.8 | 0 | 0 | 0 | 112.2 | L39 V42 K43 R47 F48 L53 A83 L137 | L39-L45 HydrophobicContact CB-CD1 3.79Å; L39-L45 HydrophobicContact CD1-CD1 4.14Å; L39-L45 HydrophobicContact CD2-CD1 3.74Å; L39-L45 HydrophobicContact CG-CD1 4.09Å; V42-L45 HydrophobicContact CB-CB 4.38Å; V42-L45 HydrophobicContact CB-CD1 4.21Å; V42-L45 HydrophobicContact CB-CG 4.21Å; V42-L45 HydrophobicContact CG1-CD1 4.42Å; V42-L45 HydrophobicContact CG1-CG 4.2Å; V42-L45 CarbonylContact O-C 3.55Å; V42-L45 WeakPolarHBondContact O-CA 3.38Å; V42-L45 PolarHBondContact O-N 3.29Å; K43-L45 VanDerWaalsContact C-N 3.27Å; K43-L45 PolarHBondContact O-N 2.87Å; L45-R47 PolarHBondContact O-N 3.42Å; L45-F48 HydrophobicContact CB-CD2 4.03Å; L45-F48 HydrophobicContact CD2-CD2 3.62Å; L45-F48 HydrophobicContact CD2-CE2 3.41Å; L45-F48 VanDerWaalsContact CD2-CE2 3.41Å; L45-F48 HydrophobicContact CG-CD2 4.44Å; L45-F48 WeakPolarHBondContact O-CB 3.45Å; L45-F48 PolarHBondContact O-N 3.48Å; L45-L53 HydrophobicContact CB-CD1 3.83Å; L45-L53 HydrophobicContact CD1-CD1 4.03Å; L45-L53 HydrophobicContact CG-CD1 4.41Å; L45-A83 HydrophobicContact CD2-CB 4.24Å; L45-L137 HydrophobicContact CD1-CD2 4.17Å |
| 46 | E | 68.2 | Low | 77.6 | Confident | 141 Ų | 141 | 65.7 Ų | 65.7 | 66% | 0.659 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -32 | 175.7 | -174.3 | 178.7 | -172.1 | 0 | 0 | 111.9 | V42 F48 | V42-E46 PolarHBondContact O-N 3.28Å; E46-F48 VanDerWaalsContact C-N 3.26Å; E46-F48 PolarHBondContact O-N 2.96Å |
| 47 | R | 66.4 | Low | 77.8 | Confident | 135 Ų | 135 | 65.3 Ų | 65.3 | 51% | 0.509 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -13.6 | 177.1 | -62 | -176.7 | 178.6 | -164.9 | -2.6 | 113.3 | L45 E454 | L45-R47 PolarHBondContact O-N 3.42Å; R47-E454 IonicContact NH1-OE1 3.6Å; R47-E454 IonicContact NH2-OE1 3.28Å; R47-E454 IonicContact NH2-OE2 3.74Å |
| 48 | F | 73 | Confident | 78.1 | Confident | 10 Ų | 10 | 65.8 Ų | 65.8 | 4% | 0.044 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -78.6 | 136.1 | 177.5 | -74.8 | -59.6 | 0 | 0 | 0 | 111.6 | L45 E46 L52 L53 I56 W81 M155 L158 | L45-F48 HydrophobicContact CB-CD2 4.03Å; L45-F48 HydrophobicContact CD2-CD2 3.62Å; L45-F48 HydrophobicContact CD2-CE2 3.41Å; L45-F48 VanDerWaalsContact CD2-CE2 3.41Å; L45-F48 HydrophobicContact CG-CD2 4.44Å; L45-F48 WeakPolarHBondContact O-CB 3.45Å; L45-F48 PolarHBondContact O-N 3.48Å; E46-F48 VanDerWaalsContact C-N 3.26Å; E46-F48 PolarHBondContact O-N 2.96Å; F48-L52 HydrophobicContact CB-CD2 4.38Å; F48-L52 HydrophobicContact CD1-CD2 3.27Å; F48-L52 HydrophobicContact CD1-CG 4.05Å; F48-L52 HydrophobicContact CE1-CD2 3.69Å; F48-L52 HydrophobicContact CG-CD2 4.12Å; F48-L52 HydrophobicContact CG-CG 4.49Å; F48-L53 HydrophobicContact CB-CB 4.5Å; F48-I56 HydrophobicContact CD2-CD1 4.09Å; F48-I56 HydrophobicContact CE2-CD1 4.01Å; F48-I56 HydrophobicContact CG-CD1 4.4Å; F48-I56 HydrophobicContact CZ-CD1 4.18Å; F48-W81 HydrophobicContact CE2-CH2 4.07Å; F48-W81 AromaticContact CZ-CH2 3.95Å; F48-W81 HydrophobicContact CZ-CH2 3.95Å; F48-W81 HydrophobicContact CZ-CZ2 4.08Å; F48-M155 HydrophobicContact CE1-CG 4.19Å; F48-L158 HydrophobicContact CD1-CD2 4.04Å; F48-L158 HydrophobicContact CD2-CD2 4.42Å; F48-L158 HydrophobicContact CE1-CD2 3.19Å; F48-L158 HydrophobicContact CE2-CD2 3.6Å; F48-L158 HydrophobicContact CZ-CD2 2.94Å; F48-L158 HydrophobicContact CZ-CG 4.45Å |
| 49 | H | 80.6 | Confident | 78.6 | Confident | 85 Ų | 85 | 60.3 Ų | 60.3 | 39% | 0.394 | 28% | 0.277 | S | S | . | . | trans | -55.8 | 137.1 | 172.9 | -174.5 | -89.3 | 0 | 0 | 0 | 110.8 | R51 L52 L53 C154 | H49-R51 PolarHBondContact ND1-N 2.79Å; H49-R51 PolarHBondContact O-N 2.93Å; H49-L52 WeakPolarHBondContact O-CA 3.41Å; H49-L52 WeakPolarHBondContact O-CB 3.41Å; H49-L52 PolarHBondContact O-N 2.97Å; H49-L53 PolarHBondContact O-N 2.72Å; H49-C154 HydrophobicContact CB-CB 4.05Å | ||
| 50 | P | 81.4 | Confident | 79 | Confident | 71 Ų | 71 | 60.3 Ų | 60.3 | 46% | 0.461 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -54.2 | -34.4 | -172.7 | -30.1 | 35 | 0 | 0 | 0 | 114.9 | L53 Q54 | P50-L53 PolarHBondContact O-N 2.89Å; P50-Q54 PolarHBondContact O-N 3.12Å |
| 51 | R | 84 | Confident | 79.5 | Confident | 177 Ų | 177 | 56.7 Ų | 56.7 | 67% | 0.668 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -67 | -38.5 | 175.3 | -67.6 | -176.7 | 178.8 | 174.3 | -0.6 | 112.8 | H49 Q55 F151 | H49-R51 PolarHBondContact ND1-N 2.79Å; H49-R51 PolarHBondContact O-N 2.93Å; R51-Q55 WeakPolarHBondContact O-CG 3.35Å; R51-Q55 PolarHBondContact O-N 2.83Å; R51-F151 HydrophobicContact CB-CE1 4.16Å; R51-F151 HydrophobicContact CB-CZ 4.47Å |
| 52 | L | 85.3 | Confident | 80.5 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.1 | -44.1 | 176.3 | 169.4 | 56.1 | 0 | 0 | 0 | 110 | F48 H49 Q54 Q55 I56 L147 F151 C154 M155 | F48-L52 HydrophobicContact CB-CD2 4.38Å; F48-L52 HydrophobicContact CD1-CD2 3.27Å; F48-L52 HydrophobicContact CD1-CG 4.05Å; F48-L52 HydrophobicContact CE1-CD2 3.69Å; F48-L52 HydrophobicContact CG-CD2 4.12Å; F48-L52 HydrophobicContact CG-CG 4.49Å; H49-L52 WeakPolarHBondContact O-CA 3.41Å; H49-L52 WeakPolarHBondContact O-CB 3.41Å; H49-L52 PolarHBondContact O-N 2.97Å; L52-Q54 VanDerWaalsContact C-N 3.27Å; L52-Q54 PolarHBondContact O-N 3.37Å; L52-Q55 WeakPolarHBondContact O-CA 3.22Å; L52-Q55 WeakPolarHBondContact O-CB 3.48Å; L52-Q55 PolarHBondContact O-N 2.8Å; L52-I56 HydrophobicContact CD1-CD1 4.14Å; L52-I56 HydrophobicContact CD1-CG1 4.17Å; L52-I56 HydrophobicContact CG-CD1 4.06Å; L52-I56 WeakPolarHBondContact O-CG1 3.5Å; L52-I56 PolarHBondContact O-N 3.29Å; L52-L147 HydrophobicContact CD1-CB 4.24Å; L52-L147 HydrophobicContact CD1-CD1 4.44Å; L52-L147 HydrophobicContact CD1-CD2 4.14Å; L52-F151 HydrophobicContact CB-CB 4.5Å; L52-F151 HydrophobicContact CB-CD1 4.19Å; L52-F151 HydrophobicContact CB-CG 4.16Å; L52-F151 HydrophobicContact CD1-CB 4.23Å; L52-F151 HydrophobicContact CD1-CD2 3.96Å; L52-F151 HydrophobicContact CD1-CG 4.17Å; L52-F151 HydrophobicContact CD2-CB 4.14Å; L52-C154 HydrophobicContact CD2-CB 4.42Å; L52-M155 HydrophobicContact CD1-CE 3.3Å; L52-M155 HydrophobicContact CD2-CE 3.42Å; L52-M155 VanDerWaalsContact CD2-CE 3.42Å; L52-M155 HydrophobicContact CD2-CG 3.66Å; L52-M155 HydrophobicContact CD2-SD 4.39Å; L52-M155 HydrophobicContact CG-CE 3.96Å |
| 53 | L | 87.5 | Confident | 81.6 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.2 | -38.9 | 177.4 | -166.7 | 61.3 | 0 | 0 | 0 | 112.2 | L36 L39 R40 L45 F48 H49 P50 Q55 I56 C57 | L36-L53 HydrophobicContact CD1-CB 4.03Å; L36-L53 HydrophobicContact CD1-CD2 3.77Å; L36-L53 HydrophobicContact CD1-CG 3.68Å; L39-L53 HydrophobicContact CB-CD1 4.06Å; L39-L53 HydrophobicContact CB-CD2 4.42Å; L39-L53 HydrophobicContact CB-CG 4.39Å; L39-L53 HydrophobicContact CD1-CD1 4.5Å; R40-L53 HydrophobicContact CB-CD2 4.26Å; R40-L53 HydrophobicContact CG-CD2 3.54Å; L45-L53 HydrophobicContact CB-CD1 3.83Å; L45-L53 HydrophobicContact CD1-CD1 4.03Å; L45-L53 HydrophobicContact CG-CD1 4.41Å; F48-L53 HydrophobicContact CB-CB 4.5Å; H49-L53 PolarHBondContact O-N 2.72Å; P50-L53 PolarHBondContact O-N 2.89Å; L53-Q55 VanDerWaalsContact C-N 3.34Å; L53-Q55 PolarHBondContact O-N 2.77Å; L53-I56 WeakPolarHBondContact O-CB 3.33Å; L53-I56 PolarHBondContact O-N 2.96Å; L53-C57 PolarHBondContact O-N 3.31Å; L53-C57 PolarHBondContact O-SG 2.82Å |
| 54 | Q | 87.8 | Confident | 82.9 | Confident | 83 Ų | 83 | 50.7 Ų | 50.7 | 39% | 0.388 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.6 | -39.7 | 172.9 | -170 | -179.7 | 20.2 | 0 | 0 | 112.4 | V32 L36 P50 L52 C57 L58 | V32-Q54 HydrophobicContact CG1-CG 4.08Å; L36-Q54 HydrophobicContact CD2-CB 4.47Å; P50-Q54 PolarHBondContact O-N 3.12Å; L52-Q54 VanDerWaalsContact C-N 3.27Å; L52-Q54 PolarHBondContact O-N 3.37Å; Q54-C57 WeakPolarHBondContact O-CB 3.44Å; Q54-C57 PolarHBondContact O-N 3.24Å; Q54-L58 PolarHBondContact O-N 2.9Å |
| 55 | Q | 88.9 | Confident | 84.4 | Confident | 70 Ų | 70 | 51.6 Ų | 51.6 | 33% | 0.327 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.7 | -37.9 | 174.8 | -63.6 | -61.9 | -63.5 | 0 | 0 | 112.1 | R51 L52 L53 C57 L58 C59 L147 F151 | R51-Q55 WeakPolarHBondContact O-CG 3.35Å; R51-Q55 PolarHBondContact O-N 2.83Å; L52-Q55 WeakPolarHBondContact O-CA 3.22Å; L52-Q55 WeakPolarHBondContact O-CB 3.48Å; L52-Q55 PolarHBondContact O-N 2.8Å; L53-Q55 VanDerWaalsContact C-N 3.34Å; L53-Q55 PolarHBondContact O-N 2.77Å; Q55-C57 VanDerWaalsContact C-N 3.28Å; Q55-C57 PolarHBondContact O-N 3.15Å; Q55-L58 WeakPolarHBondContact O-CB 3.46Å; Q55-L58 PolarHBondContact O-N 2.88Å; Q55-C59 PolarHBondContact O-N 3.4Å; Q55-C59 PolarHBondContact O-SG 3Å; Q55-C59 VanDerWaalsContact O-SG 3.4Å; Q55-L147 HydrophobicContact CB-CD2 3.44Å; Q55-L147 VanDerWaalsContact CB-CD2 3.44Å; Q55-L147 HydrophobicContact CG-CD2 4.25Å; Q55-F151 HydrophobicContact CG-CE2 4.09Å; Q55-F151 HydrophobicContact CG-CZ 4.33Å |
| 56 | I | 89 | Confident | 85.2 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.9 | -40.1 | 173 | -68.6 | 170.7 | 0 | 0 | 0 | 110.7 | L39 F48 L52 L53 L58 C59 G60 L137 I139 L147 | L39-I56 HydrophobicContact CD1-CG2 4.46Å; F48-I56 HydrophobicContact CD2-CD1 4.09Å; F48-I56 HydrophobicContact CE2-CD1 4.01Å; F48-I56 HydrophobicContact CG-CD1 4.4Å; F48-I56 HydrophobicContact CZ-CD1 4.18Å; L52-I56 HydrophobicContact CD1-CD1 4.14Å; L52-I56 HydrophobicContact CD1-CG1 4.17Å; L52-I56 HydrophobicContact CG-CD1 4.06Å; L52-I56 WeakPolarHBondContact O-CG1 3.5Å; L52-I56 PolarHBondContact O-N 3.29Å; L53-I56 WeakPolarHBondContact O-CB 3.33Å; L53-I56 PolarHBondContact O-N 2.96Å; I56-L58 PolarHBondContact O-N 2.65Å; I56-C59 PolarHBondContact O-N 2.89Å; I56-G60 WeakPolarHBondContact O-CA 3.38Å; I56-G60 PolarHBondContact O-N 3.06Å; I56-L137 HydrophobicContact CG2-CD2 3.6Å; I56-I139 HydrophobicContact CB-CD1 4.37Å; I56-I139 HydrophobicContact CD1-CD1 4.44Å; I56-I139 HydrophobicContact CG1-CD1 3.9Å; I56-I139 HydrophobicContact CG2-CD1 3.89Å; I56-L147 HydrophobicContact CG1-CD1 4.03Å |
| 57 | C | 89.4 | Confident | 86.1 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.8 | -28.7 | 175.8 | -61.3 | 0 | 0 | 0 | 0 | 112.7 | R27 V32 I35 L53 Q54 Q55 | R27-C57 PolarHBondContact NH1-O 3.42Å; V32-C57 HydrophobicContact CG1-CB 3.94Å; I35-C57 HydrophobicContact CB-CB 4.27Å; I35-C57 HydrophobicContact CG2-CB 3.91Å; L53-C57 PolarHBondContact O-N 3.31Å; L53-C57 PolarHBondContact O-SG 2.82Å; Q54-C57 WeakPolarHBondContact O-CB 3.44Å; Q54-C57 PolarHBondContact O-N 3.24Å; Q55-C57 VanDerWaalsContact C-N 3.28Å; Q55-C57 PolarHBondContact O-N 3.15Å |
| 58 | L | 88.6 | Confident | 87.2 | Confident | 67 Ų | 67 | 54 Ų | 54 | 35% | 0.351 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -77 | -33.2 | 179.2 | -71.6 | 165.6 | 0 | 0 | 0 | 112.7 | P24 R27 V32 Q54 Q55 I56 | P24-L58 WeakPolarHBondContact CB-O 3.47Å; R27-L58 PolarHBondContact NH1-O 3.4Å; V32-L58 HydrophobicContact CG2-CD2 3.55Å; V32-L58 HydrophobicContact CG2-CG 4.23Å; Q54-L58 PolarHBondContact O-N 2.9Å; Q55-L58 WeakPolarHBondContact O-CB 3.46Å; Q55-L58 PolarHBondContact O-N 2.88Å; I56-L58 PolarHBondContact O-N 2.65Å |
| 59 | C | 90.8 | Very high | 88.3 | Confident | 12 Ų | 12 | 57.1 Ų | 57.1 | 8% | 0.081 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -116.5 | -10.8 | -171.8 | 68.4 | 0 | 0 | 0 | 0 | 115.5 | Q55 I56 F61 E143 | Q55-C59 PolarHBondContact O-N 3.4Å; Q55-C59 PolarHBondContact O-SG 3Å; Q55-C59 VanDerWaalsContact O-SG 3.4Å; I56-C59 PolarHBondContact O-N 2.89Å; C59-F61 WeakPolarHBondContact O-CE2 3.44Å; C59-E143 HydrophobicContact CB-CB 4.13Å; C59-E143 HydrophobicContact CB-CG 4.11Å |
| 60 | G | 90.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | trans | -74.1 | 148.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113 | R27 I56 | R27-G60 VanDerWaalsContact CZ-O 3.26Å; R27-G60 PolarHBondContact NH1-O 2.9Å; R27-G60 PolarHBondContact NH2-O 3.22Å; I56-G60 WeakPolarHBondContact O-CA 3.38Å; I56-G60 PolarHBondContact O-N 3.06Å | ||
| 61 | F | 91.1 | Very high | 89.5 | Confident | 52 Ų | 52 | 53.8 Ų | 53.8 | 23% | 0.228 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 145.4 | 175.1 | -66.2 | -91.9 | 0 | 0 | 0 | 110.2 | P24 C59 L137 R138 E140 | P24-F61 HydrophobicContact CG-CE1 4.19Å; P24-F61 HydrophobicContact CG-CE2 4.22Å; P24-F61 HydrophobicContact CG-CZ 3.71Å; C59-F61 WeakPolarHBondContact O-CE2 3.44Å; F61-L137 CarbonylContact O-C 3.56Å; F61-L137 WeakPolarHBondContact O-CA 3.41Å; F61-R138 HydrophobicContact CB-CB 4.35Å; F61-R138 PolarHBondContact N-O 3.24Å; F61-R138 PolarHBondContact O-N 3.45Å; F61-E140 HydrophobicContact CD2-CG 4.46Å; F61-E140 HydrophobicContact CE2-CG 4.1Å |
| 62 | Y | 90.4 | Very high | 89.9 | Confident | 34 Ų | 34 | 46.4 Ų | 46.4 | 13% | 0.133 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 136.6 | 171.5 | -178.9 | -107.4 | 0 | 0 | 0 | 110.2 | W16 I17 C64 L85 E135 | W16-Y62 HydrophobicContact CH2-CD2 4.12Å; W16-Y62 AromaticContact CH2-CE2 3.88Å; W16-Y62 HydrophobicContact CH2-CE2 3.88Å; W16-Y62 HydrophobicContact CZ3-CD2 4.23Å; W16-Y62 HydrophobicContact CZ3-CE2 4.45Å; I17-Y62 HydrophobicContact CD1-CE1 4.49Å; I17-Y62 HydrophobicContact CD1-CE2 4.44Å; I17-Y62 HydrophobicContact CG1-CE2 4.4Å; I17-Y62 HydrophobicContact CG2-CD1 3.65Å; I17-Y62 HydrophobicContact CG2-CE1 3.65Å; I17-Y62 HydrophobicContact CG2-CG 4.15Å; Y62-C64 HydrophobicContact CE1-CB 3.8Å; Y62-L85 HydrophobicContact CD2-CD1 4.2Å; Y62-L85 HydrophobicContact CE2-CD1 4.35Å; Y62-E135 HydrophobicContact CE2-CB 3.94Å; Y62-E135 HydrophobicContact CE2-CG 4.32Å; Y62-E135 VanDerWaalsContact OH-CG 3.25Å; Y62-E135 WeakPolarHBondContact OH-CG 3.41Å; Y62-E135 PolarHBondContact OH-OE2 3.23Å |
| 63 | E | 90.4 | Very high | 90.3 | Very high | 47 Ų | 47 | 52.1 Ų | 52.1 | 22% | 0.22 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 127.6 | 176.6 | -73.1 | -79.6 | -169.8 | 0 | 0 | 108.9 | E135 L136 R138 | E63-E135 CarbonylContact O-C 3.59Å; E63-E135 WeakPolarHBondContact O-CA 3.4Å; E63-L136 HydrophobicContact CB-CB 4.12Å; E63-L136 PolarHBondContact N-O 3.42Å; E63-L136 PolarHBondContact O-N 2.83Å; E63-R138 HydrophobicContact CG-CB 3.92Å; E63-R138 WeakPolarHBondContact OE1-CD 3.48Å; E63-R138 IonicContact OE1-CZ 3.23Å; E63-R138 IonicContact OE1-NE 3.28Å; E63-R138 IonicContact OE1-NH1 3.57Å; E63-R138 PolarHBondContact OE1-NH1 3.44Å |
| 64 | C | 89.5 | Confident | 90.3 | Very high | 67 Ų | 67 | 53.5 Ų | 53.5 | 45% | 0.453 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 107.8 | 179.3 | -179.4 | 0 | 0 | 0 | 0 | 108.3 | Y62 F133 | Y62-C64 HydrophobicContact CE1-CB 3.8Å; C64-F133 WeakPolarHBondContact SG-CE2 3.25Å; C64-F133 WeakPolarHBondContact SG-CZ 3.07Å |
| 65 | L | 90.3 | Very high | 90.4 | Very high | 27 Ų | 27 | 51.8 Ų | 51.8 | 14% | 0.141 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 129.7 | -168.4 | -58.3 | -179.6 | 0 | 0 | 0 | 111.3 | I69 L71 T130 F133 S134 L136 | L65-I69 HydrophobicContact CD2-CG2 4.34Å; L65-L71 HydrophobicContact CD1-CD1 3.61Å; L65-L71 HydrophobicContact CD1-CD2 4.48Å; L65-L71 HydrophobicContact CD1-CG 3.97Å; L65-T130 HydrophobicContact CB-CG2 3.83Å; L65-T130 HydrophobicContact CD1-CG2 3.97Å; L65-F133 WeakPolarHBondContact O-CA 2.85Å; L65-S134 PolarHBondContact N-O 3.39Å; L65-S134 PolarHBondContact O-N 3.23Å; L65-L136 HydrophobicContact CD1-CD1 3.71Å |
| 66 | E | 86.9 | Confident | 90.5 | Very high | 125 Ų | 125 | 51.3 Ų | 51.3 | 58% | 0.584 | 27% | 0.274 | S | S | * | . | trans | -67.8 | 165.9 | 172.9 | -72.7 | -64.9 | 168.6 | 0 | 0 | 112.4 | I69 T130 | E66-I69 HydrophobicContact CB-CG1 4.27Å; E66-I69 VanDerWaalsContact O-CG1 3.29Å; E66-I69 WeakPolarHBondContact O-CG1 3.38Å; E66-T130 PolarHBondContact O-OG1 3.2Å | ||
| 67 | K | 87.4 | Confident | 90.5 | Very high | 155 Ų | 155 | 57.4 Ų | 57.4 | 67% | 0.674 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 134.4 | 174.5 | 174.7 | 169.9 | -179.9 | 172.4 | 0 | 111.9 | R131 | K67-R131 WeakPolarHBondContact CD-O 3.03Å; K67-R131 WeakPolarHBondContact CE-O 3.45Å; K67-R131 VanDerWaalsContact CG-O 3.28Å; K67-R131 WeakPolarHBondContact CG-O 3.29Å |
| 68 | G | 89.4 | Confident | 90.5 | Very high | 47 Ų | 47 | 57.7 Ų | 57.7 | 49% | 0.485 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | 5.8 | 173 | 0 | 0 | 0 | 0 | 0 | 115 | T130 | G68-T130 WeakPolarHBondContact CA-O 3.11Å; G68-T130 PolarHBondContact N-O 3.24Å; G68-T130 PolarHBondContact N-OG1 3.15Å |
| 69 | I | 95.1 | Very high | 90.7 | Very high | 75 Ų | 75 | 59 Ų | 59 | 39% | 0.385 | 32% | 0.318 | S | S | . | . | trans | -75.6 | 127.8 | 177.2 | -61.9 | -63.5 | 0 | 0 | 0 | 109.8 | L65 E66 V129 T130 | L65-I69 HydrophobicContact CD2-CG2 4.34Å; E66-I69 HydrophobicContact CB-CG1 4.27Å; E66-I69 VanDerWaalsContact O-CG1 3.29Å; E66-I69 WeakPolarHBondContact O-CG1 3.38Å; I69-V129 CarbonylContact O-C 3.53Å; I69-V129 VanDerWaalsContact O-CA 3.32Å; I69-V129 WeakPolarHBondContact O-CA 3.37Å; I69-T130 HydrophobicContact CB-CG2 4.43Å; I69-T130 PolarHBondContact N-OG1 3.02Å; I69-T130 PolarHBondContact O-N 2.94Å; I69-T130 PolarHBondContact O-OG1 3.11Å | ||
| 70 | T | 94.2 | Very high | 90.8 | Very high | 52 Ų | 52 | 58.7 Ų | 58.7 | 32% | 0.319 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 115.9 | 174.4 | -55.5 | 0 | 0 | 0 | 0 | 109.4 | R73 T127 I128 V129 | T70-R73 HydrophobicContact CG2-CG 3.99Å; T70-T127 HydrophobicContact CG2-CG2 3.83Å; T70-I128 WeakPolarHBondContact CA-O 3.32Å; T70-V129 HydrophobicContact CG2-CG2 4.26Å |
| 71 | L | 93.3 | Very high | 91 | Very high | 35 Ų | 35 | 58.8 Ų | 58.8 | 18% | 0.183 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | -45.8 | 178.6 | -81.5 | 69.4 | 0 | 0 | 0 | 111.2 | L65 Y82 L89 F114 I128 T130 L136 | L65-L71 HydrophobicContact CD1-CD1 3.61Å; L65-L71 HydrophobicContact CD1-CD2 4.48Å; L65-L71 HydrophobicContact CD1-CG 3.97Å; L71-Y82 HydrophobicContact CD2-CD1 4.07Å; L71-Y82 HydrophobicContact CD2-CE1 4.03Å; L71-Y82 HydrophobicContact CD2-CG 4.33Å; L71-L89 HydrophobicContact CD1-CD2 3.74Å; L71-L89 HydrophobicContact CD2-CD2 4.03Å; L71-F114 HydrophobicContact CD2-CE2 4.01Å; L71-F114 HydrophobicContact CD2-CZ 3.82Å; L71-I128 HydrophobicContact CD1-CG2 4.49Å; L71-I128 HydrophobicContact CD2-CG2 4.41Å; L71-I128 PolarHBondContact N-O 3.43Å; L71-T130 HydrophobicContact CD1-CG2 3.83Å; L71-L136 HydrophobicContact CD2-CD1 3.64Å; L71-L136 HydrophobicContact CG-CD1 4.48Å |
| 72 | F | 93.1 | Very high | 91 | Very high | 22 Ų | 22 | 57.3 Ų | 57.3 | 10% | 0.096 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 159.4 | 175.8 | 50.6 | -102 | 0 | 0 | 0 | 109.6 | Y82 F114 R124 A126 T127 I128 | F72-Y82 HydrophobicContact CD1-CE2 4.32Å; F72-Y82 HydrophobicContact CE1-CD2 4.28Å; F72-Y82 AromaticContact CE1-CE2 3.97Å; F72-Y82 HydrophobicContact CE1-CE2 3.97Å; F72-F114 HydrophobicContact CE1-CD2 4.28Å; F72-F114 AromaticContact CE1-CE2 3.93Å; F72-F114 HydrophobicContact CE1-CE2 3.93Å; F72-F114 HydrophobicContact CZ-CD2 4.02Å; F72-F114 HydrophobicContact CZ-CE2 4.03Å; F72-R124 HydrophobicContact CB-CG 4.37Å; F72-R124 HydrophobicContact CD2-CB 3.82Å; F72-R124 HydrophobicContact CD2-CG 3.46Å; F72-R124 VanDerWaalsContact CD2-CG 3.46Å; F72-R124 HydrophobicContact CE2-CB 4.07Å; F72-R124 HydrophobicContact CE2-CG 3.82Å; F72-R124 HydrophobicContact CG-CG 3.97Å; F72-A126 WeakPolarHBondContact CE2-O 3.24Å; F72-T127 WeakPolarHBondContact O-CA 3.39Å; F72-I128 HydrophobicContact CD2-CG1 4.22Å; F72-I128 HydrophobicContact CE1-CG1 4.24Å; F72-I128 HydrophobicContact CE2-CB 4.11Å; F72-I128 HydrophobicContact CE2-CG1 3.37Å; F72-I128 HydrophobicContact CZ-CB 4.09Å; F72-I128 HydrophobicContact CZ-CG1 3.39Å; F72-I128 PolarHBondContact O-N 2.81Å |
| 73 | R | 92.5 | Very high | 91 | Very high | 120 Ų | 120 | 55.7 Ų | 55.7 | 45% | 0.453 | 30% | 0.303 | S | S | . | . | trans | -102 | 156.4 | 176.1 | -64.3 | -176.4 | 176.9 | 82.1 | 2.6 | 111.3 | T70 G75 D76 Y99 R124 T127 | T70-R73 HydrophobicContact CG2-CG 3.99Å; R73-G75 PolarHBondContact O-N 3.08Å; R73-D76 WeakPolarHBondContact CB-OD2 3.49Å; R73-D76 PolarHBondContact N-OD2 3.39Å; R73-D76 VanDerWaalsContact O-CB 3.3Å; R73-D76 WeakPolarHBondContact O-CB 3.28Å; R73-D76 PolarHBondContact O-N 3.49Å; R73-D76 VanDerWaalsContact O-N 3.13Å; R73-Y99 HydrophobicContact CB-CD1 4.44Å; R73-Y99 HydrophobicContact CB-CE1 4.1Å; R73-R124 WeakPolarHBondContact O-CB 3.37Å; R73-T127 WeakPolarHBondContact CA-OG1 3.44Å; R73-T127 HydrophobicContact CG-CG2 4.17Å | ||
| 74 | Q | 88.8 | Confident | 90.8 | Very high | 32 Ų | 32 | 53.5 Ų | 53.5 | 15% | 0.15 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 133.6 | 169.2 | 178.5 | 176.2 | -27.7 | 0 | 0 | 109.9 | D76 S94 Y99 R124 A126 T127 | Q74-D76 VanDerWaalsContact C-N 3.32Å; Q74-S94 PolarHBondContact NE2-O 3.41Å; Q74-S94 PolarHBondContact OE1-O 3.26Å; Q74-Y99 VanDerWaalsContact O-CE1 3.25Å; Q74-Y99 WeakPolarHBondContact O-CE1 3.45Å; Q74-Y99 PolarHBondContact O-OH 3.19Å; Q74-R124 CarbonylContact C-O 3.59Å; Q74-R124 WeakPolarHBondContact CA-O 3.24Å; Q74-A126 PolarHBondContact N-O 3.05Å; Q74-T127 PolarHBondContact N-OG1 3.49Å |
| 75 | G | 88.3 | Confident | 90.7 | Very high | 46 Ų | 46 | 51.2 Ų | 51.2 | 47% | 0.474 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | -13.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R73 R124 | R73-G75 PolarHBondContact O-N 3.08Å; G75-R124 PolarHBondContact N-O 2.8Å |
| 76 | D | 91.2 | Very high | 90.3 | Very high | 61 Ų | 61 | 52.2 Ų | 52.2 | 33% | 0.326 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 152.6 | 174.6 | -69.5 | -14.3 | 0 | 0 | 0 | 111 | R73 Q74 G78 P123 R124 | R73-D76 WeakPolarHBondContact CB-OD2 3.49Å; R73-D76 PolarHBondContact N-OD2 3.39Å; R73-D76 VanDerWaalsContact O-CB 3.3Å; R73-D76 WeakPolarHBondContact O-CB 3.28Å; R73-D76 PolarHBondContact O-N 3.49Å; R73-D76 VanDerWaalsContact O-N 3.13Å; Q74-D76 VanDerWaalsContact C-N 3.32Å; D76-G78 PolarHBondContact O-N 3.47Å; D76-P123 CarbonylContact O-C 3.54Å; D76-P123 WeakPolarHBondContact O-CA 3.31Å; D76-R124 HydrophobicContact CB-CG 4.34Å; D76-R124 WeakPolarHBondContact O-CG 3.47Å; D76-R124 PolarHBondContact O-N 3.43Å |
| 77 | I | 90.7 | Very high | 90.2 | Very high | 130 Ų | 130 | 46.6 Ų | 46.6 | 67% | 0.667 | 26% | 0.261 | S | S | * | . | P | Polyproline II helix | trans | -79.4 | 118.9 | 168.1 | -59.4 | 177.1 | 0 | 0 | 0 | 107.9 | ||
| 78 | G | 87.9 | Confident | 90.2 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 5% | 0.052 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -71.2 | 140.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D76 I118 R124 | D76-G78 PolarHBondContact O-N 3.47Å; G78-I118 WeakPolarHBondContact O-CG2 3.47Å; G78-R124 VanDerWaalsContact CA-CZ 3.42Å; G78-R124 VanDerWaalsContact CA-NE 3.34Å |
| 79 | T | 92.4 | Very high | 90.3 | Very high | 94 Ų | 94 | 37.5 Ų | 37.5 | 58% | 0.577 | 21% | 0.21 | S | C | * | . | trans | -113.2 | -18.4 | 179.6 | 53.2 | 0 | 0 | 0 | 0 | 114.1 | Q141 | T79-Q141 WeakPolarHBondContact O-CB 3.35Å; T79-Q141 PolarHBondContact O-N 2.91Å | ||
| 80 | S | 94.4 | Very high | 90 | Very high | 6 Ų | 6 | 35.3 Ų | 35.3 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 155.1 | -172.2 | -60.2 | 0 | 0 | 0 | 0 | 112.6 | Y82 I118 R124 I139 | S80-Y82 WeakPolarHBondContact O-CE2 3.36Å; S80-I118 VanDerWaalsContact C-CD1 3.4Å; S80-R124 PolarHBondContact O-NH2 2.86Å; S80-I139 CarbonylContact C-O 3.5Å; S80-I139 VanDerWaalsContact CA-O 3.25Å; S80-I139 WeakPolarHBondContact CA-O 3.41Å; S80-I139 WeakPolarHBondContact CB-O 3.47Å |
| 81 | W | 92.9 | Very high | 89.8 | Confident | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 149.9 | 167.4 | 174.9 | 89.8 | 0 | 0 | 0 | 109.1 | F48 A83 A113 F114 I118 R138 I139 F144 | F48-W81 HydrophobicContact CE2-CH2 4.07Å; F48-W81 AromaticContact CZ-CH2 3.95Å; F48-W81 HydrophobicContact CZ-CH2 3.95Å; F48-W81 HydrophobicContact CZ-CZ2 4.08Å; W81-A83 HydrophobicContact CH2-CB 3.78Å; W81-A83 HydrophobicContact CZ3-CB 3.96Å; W81-A113 HydrophobicContact CH2-CB 4.06Å; W81-A113 HydrophobicContact CZ2-CB 3.34Å; W81-F114 VanDerWaalsContact CD1-O 3.32Å; W81-I118 HydrophobicContact CB-CD1 3.78Å; W81-R138 CarbonylContact O-C 3.51Å; W81-R138 WeakPolarHBondContact O-CA 3.25Å; W81-I139 HydrophobicContact CE3-CB 4.12Å; W81-I139 HydrophobicContact CE3-CD1 3.61Å; W81-I139 HydrophobicContact CE3-CG1 3.81Å; W81-I139 HydrophobicContact CZ3-CD1 3.56Å; W81-I139 HydrophobicContact CZ3-CG1 4.06Å; W81-I139 PolarHBondContact N-O 2.96Å; W81-I139 PolarHBondContact O-N 3.27Å; W81-F144 HydrophobicContact CB-CD1 3.97Å; W81-F144 HydrophobicContact CB-CD2 3.93Å; W81-F144 HydrophobicContact CB-CE1 4.11Å; W81-F144 HydrophobicContact CB-CE2 4.09Å; W81-F144 HydrophobicContact CB-CG 3.87Å; W81-F144 HydrophobicContact CB-CZ 4.17Å; W81-F144 AromaticContact CD1-CE1 3.78Å; W81-F144 AromaticContact CD1-CE2 3.87Å; W81-F144 AromaticContact CD1-CZ 3.43Å; W81-F144 VanDerWaalsContact CD1-CZ 3.43Å; W81-F144 HydrophobicContact CD2-CD2 4.04Å; W81-F144 AromaticContact CD2-CE2 3.54Å; W81-F144 HydrophobicContact CD2-CE2 3.54Å; W81-F144 AromaticContact CD2-CZ 3.94Å; W81-F144 HydrophobicContact CD2-CZ 3.94Å; W81-F144 AromaticContact CE2-CE2 3.77Å; W81-F144 AromaticContact CE2-CZ 3.91Å; W81-F144 HydrophobicContact CE3-CD2 4.29Å; W81-F144 HydrophobicContact CE3-CE2 4.06Å; W81-F144 HydrophobicContact CG-CD1 4.28Å; W81-F144 AromaticContact CG-CD2 3.93Å; W81-F144 HydrophobicContact CG-CD2 3.93Å; W81-F144 AromaticContact CG-CE1 3.96Å; W81-F144 HydrophobicContact CG-CE1 3.96Å; W81-F144 AromaticContact CG-CE2 3.58Å; W81-F144 HydrophobicContact CG-CE2 3.58Å; W81-F144 HydrophobicContact CG-CG 4.27Å; W81-F144 AromaticContact CG-CZ 3.6Å; W81-F144 HydrophobicContact CG-CZ 3.6Å; W81-F144 HydrophobicContact CZ2-CE2 4.37Å; W81-F144 AromaticContact NE1-CE2 3.98Å; W81-F144 AromaticContact NE1-CZ 3.63Å |
| 82 | Y | 92.4 | Very high | 89.5 | Confident | 22 Ų | 22 | 34 Ų | 34 | 9% | 0.086 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 147 | -173.1 | -59.2 | -94.4 | 0 | 0 | 0 | 111.7 | L71 F72 S80 A113 F114 L136 L137 R138 | L71-Y82 HydrophobicContact CD2-CD1 4.07Å; L71-Y82 HydrophobicContact CD2-CE1 4.03Å; L71-Y82 HydrophobicContact CD2-CG 4.33Å; F72-Y82 HydrophobicContact CD1-CE2 4.32Å; F72-Y82 HydrophobicContact CE1-CD2 4.28Å; F72-Y82 AromaticContact CE1-CE2 3.97Å; F72-Y82 HydrophobicContact CE1-CE2 3.97Å; S80-Y82 WeakPolarHBondContact O-CE2 3.36Å; Y82-A113 CarbonylContact O-C 3.53Å; Y82-A113 VanDerWaalsContact O-CA 3.26Å; Y82-A113 WeakPolarHBondContact O-CA 3.44Å; Y82-F114 HydrophobicContact CD2-CD2 4.3Å; Y82-F114 AromaticContact CD2-CE2 3.78Å; Y82-F114 HydrophobicContact CD2-CE2 3.78Å; Y82-F114 HydrophobicContact CD2-CZ 4.29Å; Y82-F114 AromaticContact CG-CE2 3.95Å; Y82-F114 HydrophobicContact CG-CE2 3.95Å; Y82-F114 AromaticContact CG-CZ 3.97Å; Y82-F114 HydrophobicContact CG-CZ 3.97Å; Y82-F114 PolarHBondContact N-O 3.24Å; Y82-F114 PolarHBondContact O-N 2.84Å; Y82-L136 HydrophobicContact CD1-CD1 4.16Å; Y82-L137 CarbonylContact C-O 3.46Å; Y82-L137 VanDerWaalsContact CA-O 3.26Å; Y82-L137 WeakPolarHBondContact CA-O 3.42Å; Y82-R138 HydrophobicContact CD1-CB 4.06Å; Y82-R138 HydrophobicContact CD1-CG 3.98Å; Y82-R138 HydrophobicContact CE1-CB 4.04Å; Y82-R138 HydrophobicContact CE1-CG 3.57Å |
| 83 | A | 89.3 | Confident | 89 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 135.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | L45 W81 L85 A113 L136 L137 | L45-A83 HydrophobicContact CD2-CB 4.24Å; W81-A83 HydrophobicContact CH2-CB 3.78Å; W81-A83 HydrophobicContact CZ3-CB 3.96Å; A83-L85 PolarHBondContact O-N 2.96Å; A83-A113 HydrophobicContact CB-CB 4.21Å; A83-L136 CarbonylContact O-C 3.47Å; A83-L136 WeakPolarHBondContact O-CA 3.26Å; A83-L137 HydrophobicContact CB-CB 4.33Å; A83-L137 PolarHBondContact N-O 3.06Å; A83-L137 PolarHBondContact O-N 3.19Å |
| 84 | V | 87.9 | Confident | 88.6 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 112.5 | -177.7 | -172.3 | 0 | 0 | 0 | 0 | 110.2 | L89 G109 G111 T112 F114 L136 | V84-L89 HydrophobicContact CB-CD1 4.49Å; V84-L89 HydrophobicContact CG1-CD1 4.09Å; V84-L89 HydrophobicContact CG2-CD1 3.53Å; V84-G109 VanDerWaalsContact CB-O 3.32Å; V84-G109 WeakPolarHBondContact CB-O 3.38Å; V84-G111 PolarHBondContact O-N 3.39Å; V84-T112 WeakPolarHBondContact CG2-O 3.48Å; V84-T112 PolarHBondContact N-O 3.08Å; V84-F114 HydrophobicContact CG2-CD1 4.46Å; V84-F114 HydrophobicContact CG2-CE1 3.87Å; V84-L136 HydrophobicContact CB-CD2 4.06Å; V84-L136 HydrophobicContact CG1-CD2 4.02Å; V84-L136 HydrophobicContact CG2-CD2 3.82Å |
| 85 | L | 85.3 | Confident | 87.7 | Confident | 20 Ų | 20 | 33.9 Ų | 33.9 | 11% | 0.105 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | -36.6 | 176.8 | -54.8 | 180 | 0 | 0 | 0 | 111.6 | W16 L39 V42 Y62 A83 T110 E135 L137 | W16-L85 HydrophobicContact CH2-CD1 3.71Å; W16-L85 HydrophobicContact CZ3-CD1 3.87Å; L39-L85 HydrophobicContact CD2-CD2 4.11Å; V42-L85 HydrophobicContact CG1-CD2 4.21Å; V42-L85 HydrophobicContact CG2-CD2 4.34Å; Y62-L85 HydrophobicContact CD2-CD1 4.2Å; Y62-L85 HydrophobicContact CE2-CD1 4.35Å; A83-L85 PolarHBondContact O-N 2.96Å; L85-T110 WeakPolarHBondContact O-CG2 3.45Å; L85-E135 WeakPolarHBondContact CA-O 3.24Å; L85-E135 HydrophobicContact CB-CB 4.32Å; L85-E135 WeakPolarHBondContact CB-O 3.36Å; L85-E135 PolarHBondContact N-O 2.98Å; L85-L137 HydrophobicContact CD1-CB 4.15Å; L85-L137 HydrophobicContact CD2-CB 4.1Å; L85-L137 HydrophobicContact CG-CB 4.17Å |
| 86 | S | 83.7 | Confident | 87 | Confident | 47 Ų | 47 | 35 Ų | 35 | 33% | 0.329 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 157.3 | 176.3 | -169.4 | 0 | 0 | 0 | 0 | 110.6 | S134 E135 | S86-S134 WeakPolarHBondContact O-CA 3.26Å; S86-E135 PolarHBondContact N-O 3.37Å; S86-E135 VanDerWaalsContact N-O 3.08Å; S86-E135 PolarHBondContact O-N 2.98Å |
| 87 | G | 84 | Confident | 86.1 | Confident | 8 Ų | 8 | 38.1 Ų | 38.1 | 8% | 0.082 | 22% | 0.217 | C | C | . | . | S | Bend | trans | 82.7 | -164.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | T110 F133 | G87-T110 PolarHBondContact O-N 3.46Å; G87-F133 WeakPolarHBondContact CA-O 3.43Å |
| 88 | S | 87 | Confident | 85.5 | Confident | 10 Ų | 10 | 33.8 Ų | 33.8 | 7% | 0.07 | 20% | 0.199 | C | C | . | . | trans | -150.3 | 152.4 | -177.5 | 57.3 | 0 | 0 | 0 | 0 | 113.2 | L108 R131 E132 S134 | S88-L108 CarbonylContact C-O 3.49Å; S88-L108 WeakPolarHBondContact CA-O 3.46Å; S88-R131 WeakPolarHBondContact O-CB 3.34Å; S88-R131 PolarHBondContact O-N 3.42Å; S88-E132 WeakPolarHBondContact CB-OE1 3.3Å; S88-E132 PolarHBondContact N-OE1 3.29Å; S88-E132 VanDerWaalsContact OG-CD 3.27Å; S88-E132 PolarHBondContact OG-OE1 3.16Å; S88-S134 PolarHBondContact N-OG 3.32Å; S88-S134 PolarHBondContact O-OG 3.01Å | ||
| 89 | L | 91.5 | Very high | 85 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 137.9 | -175.8 | -55.6 | 91.4 | 0 | 0 | 0 | 111.4 | L71 V84 T107 L108 F114 I128 V129 T130 L136 | L71-L89 HydrophobicContact CD1-CD2 3.74Å; L71-L89 HydrophobicContact CD2-CD2 4.03Å; V84-L89 HydrophobicContact CB-CD1 4.49Å; V84-L89 HydrophobicContact CG1-CD1 4.09Å; V84-L89 HydrophobicContact CG2-CD1 3.53Å; L89-T107 CarbonylContact O-C 3.54Å; L89-T107 WeakPolarHBondContact O-CA 3.16Å; L89-L108 PolarHBondContact N-O 3.36Å; L89-L108 PolarHBondContact O-N 2.63Å; L89-F114 HydrophobicContact CD2-CZ 4.12Å; L89-I128 HydrophobicContact CB-CG2 3.94Å; L89-I128 HydrophobicContact CD2-CG2 3.62Å; L89-I128 HydrophobicContact CG-CG2 4.44Å; L89-V129 CarbonylContact C-O 3.6Å; L89-V129 VanDerWaalsContact CA-O 3.3Å; L89-V129 WeakPolarHBondContact CA-O 3.4Å; L89-T130 HydrophobicContact CD2-CG2 3.98Å; L89-T130 HydrophobicContact CG-CG2 4.3Å; L89-L136 HydrophobicContact CD1-CD2 3.95Å; L89-L136 HydrophobicContact CD2-CD1 4.24Å |
| 90 | D | 89.9 | Confident | 84.1 | Confident | 29 Ų | 29 | 43.5 Ų | 43.5 | 16% | 0.155 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 131.1 | 173.8 | -74.1 | -13 | 0 | 0 | 0 | 110.5 | K92 T104 I128 V129 R131 | D90-K92 HydrophobicContact CB-CG 4.38Å; D90-T104 HydrophobicContact CB-CG2 3.85Å; D90-I128 WeakPolarHBondContact O-CA 3.43Å; D90-V129 PolarHBondContact N-O 3.46Å; D90-V129 PolarHBondContact O-N 3.42Å; D90-V129 VanDerWaalsContact O-N 3.08Å; D90-R131 WeakPolarHBondContact OD1-CD 3.18Å |
| 91 | V | 88.6 | Confident | 83.4 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 115.6 | 168 | -171.4 | 0 | 0 | 0 | 0 | 109 | T104 I105 C106 L108 A126 I128 | V91-T104 CarbonylContact O-C 3.55Å; V91-T104 VanDerWaalsContact O-CA 3.31Å; V91-T104 WeakPolarHBondContact O-CA 3.35Å; V91-I105 HydrophobicContact CB-CD1 4.47Å; V91-I105 HydrophobicContact CB-CG1 3.99Å; V91-I105 HydrophobicContact CG1-CD1 3.88Å; V91-I105 HydrophobicContact CG1-CG1 3.9Å; V91-I105 VanDerWaalsContact O-CG1 3.29Å; V91-I105 WeakPolarHBondContact O-CG1 3.11Å; V91-I105 PolarHBondContact O-N 3.1Å; V91-C106 VanDerWaalsContact CG2-SG 3.57Å; V91-C106 PolarHBondContact N-O 2.89Å; V91-L108 HydrophobicContact CG2-CD1 3.75Å; V91-L108 HydrophobicContact CG2-CD2 3.75Å; V91-L108 HydrophobicContact CG2-CG 3.52Å; V91-A126 HydrophobicContact CG1-CB 3.54Å; V91-I128 HydrophobicContact CB-CD1 4.01Å; V91-I128 HydrophobicContact CG1-CD1 3.84Å; V91-I128 HydrophobicContact CG2-CD1 3.72Å |
| 92 | K | 87.3 | Confident | 82.8 | Confident | 59 Ų | 59 | 48.3 Ų | 48.3 | 26% | 0.257 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 130.3 | -178 | -59.4 | -175.4 | -179.6 | -174.8 | 0 | 111.8 | D90 A102 V103 T104 A126 T127 V129 | D90-K92 HydrophobicContact CB-CG 4.38Å; K92-A102 HydrophobicContact CB-CB 4.11Å; K92-V103 CarbonylContact C-O 3.58Å; K92-V103 VanDerWaalsContact CA-O 3.23Å; K92-V103 WeakPolarHBondContact CA-O 3.44Å; K92-T104 WeakPolarHBondContact CE-OG1 3.4Å; K92-A126 CarbonylContact O-C 3.49Å; K92-A126 WeakPolarHBondContact O-CA 3.16Å; K92-A126 WeakPolarHBondContact O-CB 3.25Å; K92-T127 PolarHBondContact N-O 2.8Å; K92-T127 PolarHBondContact O-N 2.99Å; K92-V129 HydrophobicContact CD-CG2 4.31Å |
| 93 | V | 83.6 | Confident | 82.1 | Confident | 9 Ų | 9 | 49.6 Ų | 49.6 | 6% | 0.055 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 135 | 178.1 | 178.5 | 0 | 0 | 0 | 0 | 109.8 | A102 V103 I105 A126 I420 K423 | V93-A102 WeakPolarHBondContact O-CA 3.11Å; V93-V103 PolarHBondContact N-O 3.23Å; V93-V103 PolarHBondContact O-N 2.96Å; V93-I105 HydrophobicContact CB-CG2 4.46Å; V93-I105 HydrophobicContact CG2-CD1 3.62Å; V93-I105 HydrophobicContact CG2-CG1 4.26Å; V93-A126 HydrophobicContact CG2-CB 3.68Å; V93-I420 HydrophobicContact CB-CD1 4.36Å; V93-I420 HydrophobicContact CG1-CD1 4Å; V93-I420 HydrophobicContact CG2-CD1 4.05Å; V93-K423 VanDerWaalsContact CG1-NZ 3.34Å |
| 94 | S | 82.4 | Confident | 81.7 | Confident | 4 Ų | 4 | 51.5 Ų | 51.5 | 3% | 0.028 | 28% | 0.282 | C | S | . | . | trans | -106.3 | 135.2 | 167.6 | -172.1 | 0 | 0 | 0 | 0 | 110.2 | Q74 T96 S98 | Q74-S94 PolarHBondContact NE2-O 3.41Å; Q74-S94 PolarHBondContact OE1-O 3.26Å; S94-T96 VanDerWaalsContact C-N 3.34Å; S94-T96 PolarHBondContact OG-N 3.26Å; S94-T96 VanDerWaalsContact OG-N 3.14Å; S94-T96 PolarHBondContact OG-O 3.49Å; S94-T96 VanDerWaalsContact OG-O 3.11Å; S94-T96 PolarHBondContact OG-OG1 3.46Å; S94-T96 VanDerWaalsContact OG-OG1 3.09Å; S94-S98 VanDerWaalsContact CB-O 3.31Å; S94-S98 WeakPolarHBondContact CB-O 3.26Å; S94-S98 PolarHBondContact OG-O 3.24Å | ||
| 95 | E | 70.8 | Confident | 81.5 | Confident | 159 Ų | 159 | 52.3 Ų | 52.3 | 74% | 0.743 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -82.8 | -15.7 | 168 | -65.6 | -169.6 | 166 | 0 | 0 | 111.9 | ||
| 96 | T | 74.6 | Confident | 81.3 | Confident | 68 Ų | 68 | 51.6 Ų | 51.6 | 42% | 0.417 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -97.9 | 169.5 | 175 | 73.4 | 0 | 0 | 0 | 0 | 110.7 | S94 S98 D101 | S94-T96 VanDerWaalsContact C-N 3.34Å; S94-T96 PolarHBondContact OG-N 3.26Å; S94-T96 VanDerWaalsContact OG-N 3.14Å; S94-T96 PolarHBondContact OG-O 3.49Å; S94-T96 VanDerWaalsContact OG-O 3.11Å; S94-T96 PolarHBondContact OG-OG1 3.46Å; S94-T96 VanDerWaalsContact OG-OG1 3.09Å; T96-S98 PolarHBondContact O-N 2.93Å; T96-S98 WeakPolarHBondContact OG1-CB 3.41Å; T96-S98 PolarHBondContact OG1-N 2.8Å; T96-S98 VanDerWaalsContact OG1-N 3.12Å; T96-S98 PolarHBondContact OG1-O 2.93Å; T96-D101 HydrophobicContact CG2-CB 4.49Å; T96-D101 WeakPolarHBondContact CG2-OD2 3.44Å; T96-D101 PolarHBondContact OG1-OD2 3.46Å |
| 97 | S | 71.6 | Confident | 81.4 | Confident | 127 Ų | 127 | 50 Ų | 50 | 89% | 0.888 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -73.1 | 0.7 | 169.2 | 57.1 | 0 | 0 | 0 | 0 | 113.2 | ||
| 98 | S | 78.8 | Confident | 81.4 | Confident | 40 Ų | 40 | 49.7 Ų | 49.7 | 28% | 0.28 | 27% | 0.268 | S | S | . | . | trans | -99.1 | 129.4 | 179.6 | 179.8 | 0 | 0 | 0 | 0 | 111.1 | S94 T96 Q100 | S94-S98 VanDerWaalsContact CB-O 3.31Å; S94-S98 WeakPolarHBondContact CB-O 3.26Å; S94-S98 PolarHBondContact OG-O 3.24Å; T96-S98 PolarHBondContact O-N 2.93Å; T96-S98 WeakPolarHBondContact OG1-CB 3.41Å; T96-S98 PolarHBondContact OG1-N 2.8Å; T96-S98 VanDerWaalsContact OG1-N 3.12Å; T96-S98 PolarHBondContact OG1-O 2.93Å; S98-Q100 PolarHBondContact O-N 3.48Å; S98-Q100 PolarHBondContact OG-N 2.77Å | ||
| 99 | Y | 75.6 | Confident | 81.3 | Confident | 120 Ų | 120 | 49.8 Ų | 49.8 | 47% | 0.471 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -72.5 | -17.6 | 174.8 | -56 | -62.9 | 0 | 0 | 0 | 113.5 | R73 Q74 D101 A102 | R73-Y99 HydrophobicContact CB-CD1 4.44Å; R73-Y99 HydrophobicContact CB-CE1 4.1Å; Q74-Y99 VanDerWaalsContact O-CE1 3.25Å; Q74-Y99 WeakPolarHBondContact O-CE1 3.45Å; Q74-Y99 PolarHBondContact O-OH 3.19Å; Y99-D101 PolarHBondContact O-N 3.05Å; Y99-A102 VanDerWaalsContact O-CB 3.23Å; Y99-A102 WeakPolarHBondContact O-CB 3.45Å; Y99-A102 PolarHBondContact O-N 3.23Å |
| 100 | Q | 74.6 | Confident | 80.9 | Confident | 183 Ų | 183 | 51.5 Ų | 51.5 | 86% | 0.855 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -70.5 | -24.4 | 179.2 | -66.2 | -177.2 | -16.1 | 0 | 0 | 112 | S98 A102 | S98-Q100 PolarHBondContact O-N 3.48Å; S98-Q100 PolarHBondContact OG-N 2.77Å; Q100-A102 VanDerWaalsContact C-N 3.26Å; Q100-A102 PolarHBondContact O-N 3.44Å |
| 101 | D | 79.9 | Confident | 80.2 | Confident | 86 Ų | 86 | 50.7 Ų | 50.7 | 46% | 0.46 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -88.3 | 3.7 | 178.2 | -51.1 | -27.1 | 0 | 0 | 0 | 111.9 | T96 Y99 V103 | T96-D101 HydrophobicContact CG2-CB 4.49Å; T96-D101 WeakPolarHBondContact CG2-OD2 3.44Å; T96-D101 PolarHBondContact OG1-OD2 3.46Å; Y99-D101 PolarHBondContact O-N 3.05Å; D101-V103 PolarHBondContact O-N 2.99Å |
| 102 | A | 79.6 | Confident | 79.9 | Confident | 23 Ų | 23 | 50.7 Ų | 50.7 | 19% | 0.19 | 28% | 0.279 | C | S | . | . | trans | -70.8 | 123.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | K92 V93 Y99 Q100 | K92-A102 HydrophobicContact CB-CB 4.11Å; V93-A102 WeakPolarHBondContact O-CA 3.11Å; Y99-A102 VanDerWaalsContact O-CB 3.23Å; Y99-A102 WeakPolarHBondContact O-CB 3.45Å; Y99-A102 PolarHBondContact O-N 3.23Å; Q100-A102 VanDerWaalsContact C-N 3.26Å; Q100-A102 PolarHBondContact O-N 3.44Å | ||
| 103 | V | 78.6 | Confident | 79.8 | Confident | 48 Ų | 48 | 48.7 Ų | 48.7 | 29% | 0.291 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 142.9 | -177.5 | -65.9 | 0 | 0 | 0 | 0 | 111.7 | K92 V93 D101 I105 L438 | K92-V103 CarbonylContact C-O 3.58Å; K92-V103 VanDerWaalsContact CA-O 3.23Å; K92-V103 WeakPolarHBondContact CA-O 3.44Å; V93-V103 PolarHBondContact N-O 3.23Å; V93-V103 PolarHBondContact O-N 2.96Å; D101-V103 PolarHBondContact O-N 2.99Å; V103-I105 PolarHBondContact O-N 2.85Å; V103-L438 HydrophobicContact CB-CD1 4.11Å; V103-L438 HydrophobicContact CB-CD2 3.46Å; V103-L438 VanDerWaalsContact CB-CD2 3.46Å; V103-L438 HydrophobicContact CB-CG 4.42Å; V103-L438 HydrophobicContact CG1-CD1 4.43Å; V103-L438 HydrophobicContact CG1-CD2 4.16Å; V103-L438 HydrophobicContact CG2-CD2 3.5Å; V103-L438 VanDerWaalsContact CG2-CD2 3.5Å |
| 104 | T | 81.2 | Confident | 80.1 | Confident | 40 Ų | 40 | 48.7 Ų | 48.7 | 25% | 0.245 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 118.8 | 176.5 | -55.6 | 0 | 0 | 0 | 0 | 110.3 | D90 V91 K92 | D90-T104 HydrophobicContact CB-CG2 3.85Å; V91-T104 CarbonylContact O-C 3.55Å; V91-T104 VanDerWaalsContact O-CA 3.31Å; V91-T104 WeakPolarHBondContact O-CA 3.35Å; K92-T104 WeakPolarHBondContact CE-OG1 3.4Å |
| 105 | I | 82.1 | Confident | 80.3 | Confident | 18 Ų | 18 | 48.7 Ų | 48.7 | 9% | 0.092 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -34.9 | -179.2 | 53.3 | 167 | 0 | 0 | 0 | 112.9 | V91 V93 V103 V418 I420 V426 A447 | V91-I105 HydrophobicContact CB-CD1 4.47Å; V91-I105 HydrophobicContact CB-CG1 3.99Å; V91-I105 HydrophobicContact CG1-CD1 3.88Å; V91-I105 HydrophobicContact CG1-CG1 3.9Å; V91-I105 VanDerWaalsContact O-CG1 3.29Å; V91-I105 WeakPolarHBondContact O-CG1 3.11Å; V91-I105 PolarHBondContact O-N 3.1Å; V93-I105 HydrophobicContact CB-CG2 4.46Å; V93-I105 HydrophobicContact CG2-CD1 3.62Å; V93-I105 HydrophobicContact CG2-CG1 4.26Å; V103-I105 PolarHBondContact O-N 2.85Å; I105-V418 HydrophobicContact CD1-CG1 4.11Å; I105-I420 HydrophobicContact CD1-CD1 4.27Å; I105-V426 HydrophobicContact CD1-CG1 4.49Å; I105-A447 HydrophobicContact CG2-CB 3.97Å |
| 106 | C | 82.1 | Confident | 81 | Confident | 4 Ų | 4 | 42 Ų | 42 | 3% | 0.027 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 167.3 | 179.4 | 57.7 | 0 | 0 | 0 | 0 | 111 | V91 C427 L429 F435 | V91-C106 VanDerWaalsContact CG2-SG 3.57Å; V91-C106 PolarHBondContact N-O 2.89Å; C106-C427 VanDerWaalsContact SG-SG 3.69Å; C106-L429 HydrophobicContact CB-CD1 3.67Å; C106-L429 HydrophobicContact CB-CD2 3.92Å; C106-L429 HydrophobicContact CB-CG 4.39Å; C106-F435 HydrophobicContact CB-CB 4.15Å |
| 107 | T | 85.3 | Confident | 81.6 | Confident | 15 Ų | 15 | 39.3 Ų | 39.3 | 9% | 0.092 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 133.4 | 175.4 | -42.4 | 0 | 0 | 0 | 0 | 109.7 | L89 D433 D434 | L89-T107 CarbonylContact O-C 3.54Å; L89-T107 WeakPolarHBondContact O-CA 3.16Å; T107-D433 WeakPolarHBondContact O-CB 3.44Å; T107-D434 VanDerWaalsContact CB-OD1 3.26Å; T107-D434 WeakPolarHBondContact CB-OD1 3.47Å; T107-D434 PolarHBondContact N-O 3.21Å; T107-D434 PolarHBondContact OG1-OD1 2.97Å |
| 108 | L | 85.4 | Confident | 82.4 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 122.4 | 171.2 | -48.8 | 176.8 | 0 | 0 | 0 | 109 | S88 L89 V91 T112 F114 I128 L429 | S88-L108 CarbonylContact C-O 3.49Å; S88-L108 WeakPolarHBondContact CA-O 3.46Å; L89-L108 PolarHBondContact N-O 3.36Å; L89-L108 PolarHBondContact O-N 2.63Å; V91-L108 HydrophobicContact CG2-CD1 3.75Å; V91-L108 HydrophobicContact CG2-CD2 3.75Å; V91-L108 HydrophobicContact CG2-CG 3.52Å; L108-T112 HydrophobicContact CB-CG2 4.14Å; L108-T112 HydrophobicContact CD2-CG2 3.82Å; L108-T112 HydrophobicContact CG-CG2 4.43Å; L108-F114 HydrophobicContact CD1-CB 4.2Å; L108-F114 HydrophobicContact CD1-CD1 3.62Å; L108-F114 HydrophobicContact CD1-CE1 4.08Å; L108-F114 HydrophobicContact CD1-CG 3.87Å; L108-I128 HydrophobicContact CD1-CD1 4.31Å; L108-L429 HydrophobicContact CD2-CD2 3.66Å |
| 109 | G | 83.6 | Confident | 82.9 | Confident | 11 Ų | 11 | 31.9 Ų | 31.9 | 11% | 0.113 | 17% | 0.174 | C | C | . | . | trans | -106 | -176.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | V84 G111 T112 D433 | V84-G109 VanDerWaalsContact CB-O 3.32Å; V84-G109 WeakPolarHBondContact CB-O 3.38Å; G109-G111 PolarHBondContact O-N 2.9Å; G109-T112 WeakPolarHBondContact O-CB 3.41Å; G109-T112 PolarHBondContact O-N 3.49Å; G109-T112 VanDerWaalsContact O-N 3.1Å; G109-T112 PolarHBondContact O-OG1 3.47Å; G109-D433 WeakPolarHBondContact CA-OD1 3.21Å; G109-D433 PolarHBondContact N-OD1 2.98Å | ||
| 110 | T | 82.6 | Confident | 83.3 | Confident | 36 Ų | 36 | 29.7 Ų | 29.7 | 22% | 0.221 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 126.1 | 172.2 | -47.8 | 0 | 0 | 0 | 0 | 110.6 | L85 G87 K369 | L85-T110 WeakPolarHBondContact O-CG2 3.45Å; G87-T110 PolarHBondContact O-N 3.46Å; T110-K369 VanDerWaalsContact CB-NZ 3.27Å; T110-K369 PolarHBondContact OG1-NZ 3.38Å |
| 111 | G | 76.8 | Confident | 83.9 | Confident | 13 Ų | 13 | 25.1 Ų | 25.1 | 13% | 0.134 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 115.9 | -28.7 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113 | A44 V84 G109 | A44-G111 WeakPolarHBondContact CA-O 3.48Å; A44-G111 WeakPolarHBondContact CB-O 3.32Å; V84-G111 PolarHBondContact O-N 3.39Å; G109-G111 PolarHBondContact O-N 2.9Å |
| 112 | T | 81.8 | Confident | 84.2 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -94.6 | 140.8 | -167.8 | -55.4 | 0 | 0 | 0 | 0 | 111 | V84 L108 G109 Y430 D433 | V84-T112 WeakPolarHBondContact CG2-O 3.48Å; V84-T112 PolarHBondContact N-O 3.08Å; L108-T112 HydrophobicContact CB-CG2 4.14Å; L108-T112 HydrophobicContact CD2-CG2 3.82Å; L108-T112 HydrophobicContact CG-CG2 4.43Å; G109-T112 WeakPolarHBondContact O-CB 3.41Å; G109-T112 PolarHBondContact O-N 3.49Å; G109-T112 VanDerWaalsContact O-N 3.1Å; G109-T112 PolarHBondContact O-OG1 3.47Å; T112-Y430 HydrophobicContact CG2-CD2 3.98Å; T112-Y430 HydrophobicContact CG2-CE2 4.32Å; T112-D433 PolarHBondContact OG1-OD2 2.8Å | ||
| 113 | A | 85.9 | Confident | 84.6 | Confident | 17 Ų | 17 | 25 Ų | 25 | 14% | 0.14 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 149.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | W81 Y82 A83 | W81-A113 HydrophobicContact CH2-CB 4.06Å; W81-A113 HydrophobicContact CZ2-CB 3.34Å; Y82-A113 CarbonylContact O-C 3.53Å; Y82-A113 VanDerWaalsContact O-CA 3.26Å; Y82-A113 WeakPolarHBondContact O-CA 3.44Å; A83-A113 HydrophobicContact CB-CB 4.21Å |
| 114 | F | 88.6 | Confident | 85.1 | Confident | 9 Ų | 9 | 23 Ų | 23 | 4% | 0.039 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 161.7 | -173.9 | 62.8 | -86.8 | 0 | 0 | 0 | 112.7 | L71 F72 W81 Y82 V84 L89 L108 I128 | L71-F114 HydrophobicContact CD2-CE2 4.01Å; L71-F114 HydrophobicContact CD2-CZ 3.82Å; F72-F114 HydrophobicContact CE1-CD2 4.28Å; F72-F114 AromaticContact CE1-CE2 3.93Å; F72-F114 HydrophobicContact CE1-CE2 3.93Å; F72-F114 HydrophobicContact CZ-CD2 4.02Å; F72-F114 HydrophobicContact CZ-CE2 4.03Å; W81-F114 VanDerWaalsContact CD1-O 3.32Å; Y82-F114 HydrophobicContact CD2-CD2 4.3Å; Y82-F114 AromaticContact CD2-CE2 3.78Å; Y82-F114 HydrophobicContact CD2-CE2 3.78Å; Y82-F114 HydrophobicContact CD2-CZ 4.29Å; Y82-F114 AromaticContact CG-CE2 3.95Å; Y82-F114 HydrophobicContact CG-CE2 3.95Å; Y82-F114 AromaticContact CG-CZ 3.97Å; Y82-F114 HydrophobicContact CG-CZ 3.97Å; Y82-F114 PolarHBondContact N-O 3.24Å; Y82-F114 PolarHBondContact O-N 2.84Å; V84-F114 HydrophobicContact CG2-CD1 4.46Å; V84-F114 HydrophobicContact CG2-CE1 3.87Å; L89-F114 HydrophobicContact CD2-CZ 4.12Å; L108-F114 HydrophobicContact CD1-CB 4.2Å; L108-F114 HydrophobicContact CD1-CD1 3.62Å; L108-F114 HydrophobicContact CD1-CE1 4.08Å; L108-F114 HydrophobicContact CD1-CG 3.87Å; F114-I128 HydrophobicContact CD2-CG1 4.48Å; F114-I128 HydrophobicContact CE2-CG1 4.32Å; F114-I128 HydrophobicContact CE2-CG2 4.06Å; F114-I128 HydrophobicContact CZ-CG2 4.18Å |
| 115 | G | 87 | Confident | 85.2 | Confident | 5 Ų | 5 | 23.2 Ų | 23.2 | 5% | 0.052 | 14% | 0.138 | C | C | . | . | trans | 101.8 | 16.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | S117 I118 R124 | G115-S117 PolarHBondContact O-N 2.84Å; G115-S117 VanDerWaalsContact O-N 3.15Å; G115-I118 WeakPolarHBondContact O-CG1 3.35Å; G115-I118 WeakPolarHBondContact O-CG2 3.32Å; G115-I118 PolarHBondContact O-N 2.64Å; G115-R124 VanDerWaalsContact C-NH1 3.34Å; G115-R124 PolarHBondContact O-NH1 2.89Å | ||
| 116 | E | 86.3 | Confident | 85.5 | Confident | 19 Ų | 19 | 22.7 Ų | 22.7 | 9% | 0.089 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -62.1 | -13.6 | 177.3 | 66.1 | -89.2 | -135.2 | 0 | 0 | 114.4 | I118 L119 F144 L159 A160 Y163 | E116-I118 PolarHBondContact O-N 2.89Å; E116-L119 HydrophobicContact CB-CD1 4.44Å; E116-L119 WeakPolarHBondContact O-CB 3.17Å; E116-L119 WeakPolarHBondContact O-CG 3.4Å; E116-L119 PolarHBondContact O-N 2.78Å; E116-F144 HydrophobicContact CB-CE1 4.35Å; E116-L159 HydrophobicContact CB-CD2 4.15Å; E116-A160 WeakPolarHBondContact OE1-CB 3.46Å; E116-A160 PolarHBondContact OE1-N 2.97Å; E116-A160 VanDerWaalsContact OE1-N 3.15Å; E116-Y163 HydrophobicContact CB-CD2 4.11Å; E116-Y163 HydrophobicContact CG-CD2 3.52Å; E116-Y163 HydrophobicContact CG-CE2 3.91Å; E116-Y163 HydrophobicContact CG-CG 4.41Å |
| 117 | S | 85.9 | Confident | 86 | Confident | 10 Ų | 10 | 23 Ų | 23 | 7% | 0.07 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -55.5 | -16.3 | 171 | 44.5 | 0 | 0 | 0 | 0 | 114.5 | G115 L119 D120 N121 T122 R124 | G115-S117 PolarHBondContact O-N 2.84Å; G115-S117 VanDerWaalsContact O-N 3.15Å; S117-L119 PolarHBondContact O-N 2.7Å; S117-D120 VanDerWaalsContact O-OD1 3.07Å; S117-N121 PolarHBondContact O-N 3.01Å; S117-T122 PolarHBondContact O-N 3.49Å; S117-T122 VanDerWaalsContact O-N 3.14Å; S117-R124 PolarHBondContact OG-NH1 2.84Å |
| 118 | I | 89.8 | Confident | 86.4 | Confident | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -67.3 | -15.7 | 172 | 69.2 | -170.3 | 0 | 0 | 0 | 113.5 | G78 S80 W81 G115 E116 D120 Q141 F144 R145 | G78-I118 WeakPolarHBondContact O-CG2 3.47Å; S80-I118 VanDerWaalsContact C-CD1 3.4Å; W81-I118 HydrophobicContact CB-CD1 3.78Å; G115-I118 WeakPolarHBondContact O-CG1 3.35Å; G115-I118 WeakPolarHBondContact O-CG2 3.32Å; G115-I118 PolarHBondContact O-N 2.64Å; E116-I118 PolarHBondContact O-N 2.89Å; I118-D120 VanDerWaalsContact C-N 3.32Å; I118-D120 PolarHBondContact O-N 3.21Å; I118-Q141 HydrophobicContact CB-CB 4.24Å; I118-Q141 HydrophobicContact CB-CG 3.96Å; I118-Q141 HydrophobicContact CD1-CB 4.09Å; I118-Q141 HydrophobicContact CD1-CG 4.48Å; I118-Q141 HydrophobicContact CG1-CB 4.39Å; I118-Q141 HydrophobicContact CG1-CG 4.25Å; I118-Q141 PolarHBondContact O-NE2 3.4Å; I118-F144 HydrophobicContact CD1-CB 4.27Å; I118-F144 HydrophobicContact CD1-CD1 3.92Å; I118-F144 HydrophobicContact CD1-CG 4.37Å; I118-F144 HydrophobicContact CG1-CD1 4.11Å; I118-R145 PolarHBondContact O-NE 3.22Å; I118-R145 VanDerWaalsContact O-NE 3.13Å; I118-R145 PolarHBondContact O-NH2 3.32Å |
| 119 | L | 87.4 | Confident | 86.7 | Confident | 10 Ų | 10 | 23.3 Ų | 23.3 | 5% | 0.052 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -69.8 | -28.2 | -177.8 | -71.6 | 174 | 0 | 0 | 0 | 112.8 | E116 S117 F144 R145 W148 L159 Y163 | E116-L119 HydrophobicContact CB-CD1 4.44Å; E116-L119 WeakPolarHBondContact O-CB 3.17Å; E116-L119 WeakPolarHBondContact O-CG 3.4Å; E116-L119 PolarHBondContact O-N 2.78Å; S117-L119 PolarHBondContact O-N 2.7Å; L119-F144 HydrophobicContact CD1-CD1 4.46Å; L119-F144 HydrophobicContact CD1-CE1 3.88Å; L119-F144 HydrophobicContact CD2-CD1 3.67Å; L119-F144 HydrophobicContact CD2-CE1 3.93Å; L119-F144 HydrophobicContact CG-CD1 3.99Å; L119-F144 HydrophobicContact CG-CE1 3.87Å; L119-R145 HydrophobicContact CD2-CB 4.4Å; L119-R145 HydrophobicContact CD2-CG 3.77Å; L119-R145 PolarHBondContact O-NH1 3.08Å; L119-R145 PolarHBondContact O-NH2 2.96Å; L119-W148 HydrophobicContact CD1-CB 4.4Å; L119-W148 HydrophobicContact CD1-CD2 3.77Å; L119-W148 HydrophobicContact CD1-CE3 4.26Å; L119-W148 HydrophobicContact CD1-CG 3.83Å; L119-W148 HydrophobicContact CD2-CB 3.83Å; L119-W148 HydrophobicContact CD2-CD2 4.04Å; L119-W148 HydrophobicContact CD2-CE3 3.97Å; L119-W148 HydrophobicContact CD2-CG 4.02Å; L119-W148 HydrophobicContact CG-CD2 4.47Å; L119-L159 HydrophobicContact CD1-CD1 4.12Å; L119-Y163 HydrophobicContact CB-CD1 3.6Å; L119-Y163 HydrophobicContact CB-CE1 3.64Å; L119-Y163 HydrophobicContact CB-CG 4.44Å; L119-Y163 HydrophobicContact CD1-CD1 3.66Å; L119-Y163 HydrophobicContact CD1-CE1 4.46Å; L119-Y163 HydrophobicContact CD1-CG 3.78Å; L119-Y163 HydrophobicContact CG-CD1 4.26Å |
| 120 | D | 85.4 | Confident | 87.1 | Confident | 75 Ų | 75 | 22.9 Ų | 22.9 | 40% | 0.401 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.7 | 4.2 | 175.4 | 69.6 | 0.3 | 0 | 0 | 0 | 113.7 | S117 I118 T122 Y163 | S117-D120 VanDerWaalsContact O-OD1 3.07Å; I118-D120 VanDerWaalsContact C-N 3.32Å; I118-D120 PolarHBondContact O-N 3.21Å; D120-T122 VanDerWaalsContact C-N 3.31Å; D120-T122 WeakPolarHBondContact OD1-CB 3.35Å; D120-T122 PolarHBondContact OD1-N 3.47Å; D120-T122 PolarHBondContact OD1-OG1 3.29Å; D120-T122 PolarHBondContact OD2-OG1 3.04Å; D120-Y163 HydrophobicContact CB-CE1 4.1Å; D120-Y163 PolarHBondContact OD1-OH 3.01Å; D120-Y163 PolarHBondContact OD2-OH 3.01Å |
| 121 | N | 86.3 | Confident | 87.2 | Confident | 87 Ų | 87 | 24 Ų | 24 | 47% | 0.465 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | 24 | -174.9 | -54.9 | -52 | 0 | 0 | 0 | 114.4 | S117 Q141 R145 | S117-N121 PolarHBondContact O-N 3.01Å; N121-Q141 PolarHBondContact OD1-NE2 3.47Å; N121-R145 PolarHBondContact ND2-NH2 3.06Å; N121-R145 VanDerWaalsContact ND2-NH2 3.12Å; N121-R145 PolarHBondContact OD1-NH2 3.31Å |
| 122 | T | 85.9 | Confident | 87.5 | Confident | 39 Ų | 39 | 26.6 Ų | 26.6 | 24% | 0.239 | 14% | 0.144 | C | C | . | . | P | Polyproline II helix | trans | -62.1 | 131.1 | 171.5 | -63.2 | 0 | 0 | 0 | 0 | 110.1 | S117 D120 H125 | S117-T122 PolarHBondContact O-N 3.49Å; S117-T122 VanDerWaalsContact O-N 3.14Å; D120-T122 VanDerWaalsContact C-N 3.31Å; D120-T122 WeakPolarHBondContact OD1-CB 3.35Å; D120-T122 PolarHBondContact OD1-N 3.47Å; D120-T122 PolarHBondContact OD1-OG1 3.29Å; D120-T122 PolarHBondContact OD2-OG1 3.04Å; T122-H125 VanDerWaalsContact CG2-NE2 3.34Å; T122-H125 WeakPolarHBondContact CG2-NE2 3.44Å |
| 123 | P | 88.8 | Confident | 87.6 | Confident | 67 Ų | 67 | 30.6 Ų | 30.6 | 44% | 0.435 | 16% | 0.162 | S | C | . | . | P | Polyproline II helix | trans | -55.2 | 149.2 | 173.3 | -26.1 | 34.9 | 0 | 0 | 0 | 112.1 | D76 H125 | D76-P123 CarbonylContact O-C 3.54Å; D76-P123 WeakPolarHBondContact O-CA 3.31Å; P123-H125 PolarHBondContact O-N 3.4Å |
| 124 | R | 88.8 | Confident | 87.6 | Confident | 5 Ų | 5 | 29.8 Ų | 29.8 | 2% | 0.019 | 16% | 0.155 | C | C | . | . | P | Polyproline II helix | trans | -57.8 | 126.3 | -177.7 | -65.9 | -59 | -163.3 | -163.3 | 4.5 | 111.3 | F72 R73 Q74 G75 D76 G78 S80 G115 S117 A126 | F72-R124 HydrophobicContact CB-CG 4.37Å; F72-R124 HydrophobicContact CD2-CB 3.82Å; F72-R124 HydrophobicContact CD2-CG 3.46Å; F72-R124 VanDerWaalsContact CD2-CG 3.46Å; F72-R124 HydrophobicContact CE2-CB 4.07Å; F72-R124 HydrophobicContact CE2-CG 3.82Å; F72-R124 HydrophobicContact CG-CG 3.97Å; R73-R124 WeakPolarHBondContact O-CB 3.37Å; Q74-R124 CarbonylContact C-O 3.59Å; Q74-R124 WeakPolarHBondContact CA-O 3.24Å; G75-R124 PolarHBondContact N-O 2.8Å; D76-R124 HydrophobicContact CB-CG 4.34Å; D76-R124 WeakPolarHBondContact O-CG 3.47Å; D76-R124 PolarHBondContact O-N 3.43Å; G78-R124 VanDerWaalsContact CA-CZ 3.42Å; G78-R124 VanDerWaalsContact CA-NE 3.34Å; S80-R124 PolarHBondContact O-NH2 2.86Å; G115-R124 VanDerWaalsContact C-NH1 3.34Å; G115-R124 PolarHBondContact O-NH1 2.89Å; S117-R124 PolarHBondContact OG-NH1 2.84Å; R124-A126 VanDerWaalsContact C-N 3.26Å; R124-A126 PolarHBondContact O-N 3.15Å |
| 125 | H | 83.7 | Confident | 87.7 | Confident | 46 Ų | 46 | 30.8 Ų | 30.8 | 21% | 0.213 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -72 | -20.8 | -178.5 | -60.7 | 117.1 | 0 | 0 | 0 | 114.1 | T122 P123 K423 V426 | T122-H125 VanDerWaalsContact CG2-NE2 3.34Å; T122-H125 WeakPolarHBondContact CG2-NE2 3.44Å; P123-H125 PolarHBondContact O-N 3.4Å; H125-K423 PolarHBondContact O-NZ 3.27Å; H125-V426 HydrophobicContact CB-CG1 4.03Å; H125-V426 HydrophobicContact CB-CG2 4.44Å |
| 126 | A | 88.2 | Confident | 87.9 | Confident | 6 Ų | 6 | 30.6 Ų | 30.6 | 5% | 0.05 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -147.6 | 160.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F72 Q74 V91 K92 V93 R124 V426 | F72-A126 WeakPolarHBondContact CE2-O 3.24Å; Q74-A126 PolarHBondContact N-O 3.05Å; V91-A126 HydrophobicContact CG1-CB 3.54Å; K92-A126 CarbonylContact O-C 3.49Å; K92-A126 WeakPolarHBondContact O-CA 3.16Å; K92-A126 WeakPolarHBondContact O-CB 3.25Å; V93-A126 HydrophobicContact CG2-CB 3.68Å; R124-A126 VanDerWaalsContact C-N 3.26Å; R124-A126 PolarHBondContact O-N 3.15Å; A126-V426 HydrophobicContact CB-CG1 4.25Å |
| 127 | T | 92 | Very high | 88.2 | Confident | 11 Ų | 11 | 29.7 Ų | 29.7 | 7% | 0.067 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 129.7 | 167.5 | -60.2 | 0 | 0 | 0 | 0 | 109 | T70 F72 R73 Q74 K92 V129 | T70-T127 HydrophobicContact CG2-CG2 3.83Å; F72-T127 WeakPolarHBondContact O-CA 3.39Å; R73-T127 WeakPolarHBondContact CA-OG1 3.44Å; R73-T127 HydrophobicContact CG-CG2 4.17Å; Q74-T127 PolarHBondContact N-OG1 3.49Å; K92-T127 PolarHBondContact N-O 2.8Å; K92-T127 PolarHBondContact O-N 2.99Å; T127-V129 HydrophobicContact CG2-CG2 3.99Å |
| 128 | I | 93.4 | Very high | 88.6 | Confident | 7 Ų | 7 | 31.9 Ų | 31.9 | 4% | 0.036 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 126.5 | 179.4 | -57.7 | -61.7 | 0 | 0 | 0 | 109.8 | T70 L71 F72 L89 D90 V91 L108 F114 | T70-I128 WeakPolarHBondContact CA-O 3.32Å; L71-I128 HydrophobicContact CD1-CG2 4.49Å; L71-I128 HydrophobicContact CD2-CG2 4.41Å; L71-I128 PolarHBondContact N-O 3.43Å; F72-I128 HydrophobicContact CD2-CG1 4.22Å; F72-I128 HydrophobicContact CE1-CG1 4.24Å; F72-I128 HydrophobicContact CE2-CB 4.11Å; F72-I128 HydrophobicContact CE2-CG1 3.37Å; F72-I128 HydrophobicContact CZ-CB 4.09Å; F72-I128 HydrophobicContact CZ-CG1 3.39Å; F72-I128 PolarHBondContact O-N 2.81Å; L89-I128 HydrophobicContact CB-CG2 3.94Å; L89-I128 HydrophobicContact CD2-CG2 3.62Å; L89-I128 HydrophobicContact CG-CG2 4.44Å; D90-I128 WeakPolarHBondContact O-CA 3.43Å; V91-I128 HydrophobicContact CB-CD1 4.01Å; V91-I128 HydrophobicContact CG1-CD1 3.84Å; V91-I128 HydrophobicContact CG2-CD1 3.72Å; L108-I128 HydrophobicContact CD1-CD1 4.31Å; F114-I128 HydrophobicContact CD2-CG1 4.48Å; F114-I128 HydrophobicContact CE2-CG1 4.32Å; F114-I128 HydrophobicContact CE2-CG2 4.06Å; F114-I128 HydrophobicContact CZ-CG2 4.18Å |
| 129 | V | 93.2 | Very high | 88.8 | Confident | 16 Ų | 16 | 31.9 Ų | 31.9 | 10% | 0.097 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 133.3 | -177.8 | -171.8 | 0 | 0 | 0 | 0 | 110.4 | I69 T70 L89 D90 K92 T127 R131 | I69-V129 CarbonylContact O-C 3.53Å; I69-V129 VanDerWaalsContact O-CA 3.32Å; I69-V129 WeakPolarHBondContact O-CA 3.37Å; T70-V129 HydrophobicContact CG2-CG2 4.26Å; L89-V129 CarbonylContact C-O 3.6Å; L89-V129 VanDerWaalsContact CA-O 3.3Å; L89-V129 WeakPolarHBondContact CA-O 3.4Å; D90-V129 PolarHBondContact N-O 3.46Å; D90-V129 PolarHBondContact O-N 3.42Å; D90-V129 VanDerWaalsContact O-N 3.08Å; K92-V129 HydrophobicContact CD-CG2 4.31Å; T127-V129 HydrophobicContact CG2-CG2 3.99Å; V129-R131 PolarHBondContact O-N 2.84Å |
| 130 | T | 90.9 | Very high | 89.1 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.012 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 127.7 | 174.4 | 57.1 | 0 | 0 | 0 | 0 | 110.7 | L65 E66 G68 I69 L71 L89 | L65-T130 HydrophobicContact CB-CG2 3.83Å; L65-T130 HydrophobicContact CD1-CG2 3.97Å; E66-T130 PolarHBondContact O-OG1 3.2Å; G68-T130 WeakPolarHBondContact CA-O 3.11Å; G68-T130 PolarHBondContact N-O 3.24Å; G68-T130 PolarHBondContact N-OG1 3.15Å; I69-T130 HydrophobicContact CB-CG2 4.43Å; I69-T130 PolarHBondContact N-OG1 3.02Å; I69-T130 PolarHBondContact O-N 2.94Å; I69-T130 PolarHBondContact O-OG1 3.11Å; L71-T130 HydrophobicContact CD1-CG2 3.83Å; L89-T130 HydrophobicContact CD2-CG2 3.98Å; L89-T130 HydrophobicContact CG-CG2 4.3Å |
| 131 | R | 85.4 | Confident | 89.5 | Confident | 58 Ų | 58 | 34.1 Ų | 34.1 | 22% | 0.219 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -85.6 | -28.8 | -179.9 | -173.1 | -180 | -177.8 | -94.6 | -1.5 | 111.8 | K67 S88 D90 V129 H373 | K67-R131 WeakPolarHBondContact CD-O 3.03Å; K67-R131 WeakPolarHBondContact CE-O 3.45Å; K67-R131 VanDerWaalsContact CG-O 3.28Å; K67-R131 WeakPolarHBondContact CG-O 3.29Å; S88-R131 WeakPolarHBondContact O-CB 3.34Å; S88-R131 PolarHBondContact O-N 3.42Å; D90-R131 WeakPolarHBondContact OD1-CD 3.18Å; V129-R131 PolarHBondContact O-N 2.84Å; R131-H373 PolarHBondContact NH2-CD2 3.03Å; R131-H373 PolarHBondContact NH2-CE1 2.99Å; R131-H373 PolarHBondContact NH2-ND1 2.95Å; R131-H373 PolarHBondContact NH2-NE2 3.42Å |
| 132 | E | 82.8 | Confident | 89.7 | Confident | 69 Ų | 69 | 37.7 Ų | 37.7 | 32% | 0.322 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -146.6 | 179.2 | 177.5 | 64.9 | -165.6 | 158.9 | 0 | 0 | 110.2 | S88 S134 | S88-E132 WeakPolarHBondContact CB-OE1 3.3Å; S88-E132 PolarHBondContact N-OE1 3.29Å; S88-E132 VanDerWaalsContact OG-CD 3.27Å; S88-E132 PolarHBondContact OG-OE1 3.16Å; E132-S134 PolarHBondContact O-N 3Å; E132-S134 PolarHBondContact O-OG 2.84Å |
| 133 | F | 84.1 | Confident | 90.1 | Very high | 84 Ų | 84 | 39.3 Ų | 39.3 | 37% | 0.368 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -53.9 | 122.8 | 170.3 | 176.3 | -88.6 | 0 | 0 | 0 | 109.5 | C64 L65 G87 E135 | C64-F133 WeakPolarHBondContact SG-CE2 3.25Å; C64-F133 WeakPolarHBondContact SG-CZ 3.07Å; L65-F133 WeakPolarHBondContact O-CA 2.85Å; G87-F133 WeakPolarHBondContact CA-O 3.43Å; F133-E135 HydrophobicContact CE1-CG 3.85Å; F133-E135 HydrophobicContact CZ-CG 4.43Å |
| 134 | S | 86.8 | Confident | 90.2 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 135.7 | -168.8 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | L65 S86 S88 E132 | L65-S134 PolarHBondContact N-O 3.39Å; L65-S134 PolarHBondContact O-N 3.23Å; S86-S134 WeakPolarHBondContact O-CA 3.26Å; S88-S134 PolarHBondContact N-OG 3.32Å; S88-S134 PolarHBondContact O-OG 3.01Å; E132-S134 PolarHBondContact O-N 3Å; E132-S134 PolarHBondContact O-OG 2.84Å |
| 135 | E | 89.9 | Confident | 90.3 | Very high | 30 Ų | 30 | 39.2 Ų | 39.2 | 14% | 0.14 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 124.8 | 176.8 | -58.2 | -179.4 | -150.8 | 0 | 0 | 108.9 | Y62 E63 L85 S86 F133 | Y62-E135 HydrophobicContact CE2-CB 3.94Å; Y62-E135 HydrophobicContact CE2-CG 4.32Å; Y62-E135 VanDerWaalsContact OH-CG 3.25Å; Y62-E135 WeakPolarHBondContact OH-CG 3.41Å; Y62-E135 PolarHBondContact OH-OE2 3.23Å; E63-E135 CarbonylContact O-C 3.59Å; E63-E135 WeakPolarHBondContact O-CA 3.4Å; L85-E135 WeakPolarHBondContact CA-O 3.24Å; L85-E135 HydrophobicContact CB-CB 4.32Å; L85-E135 WeakPolarHBondContact CB-O 3.36Å; L85-E135 PolarHBondContact N-O 2.98Å; S86-E135 PolarHBondContact N-O 3.37Å; S86-E135 VanDerWaalsContact N-O 3.08Å; S86-E135 PolarHBondContact O-N 2.98Å; F133-E135 HydrophobicContact CE1-CG 3.85Å; F133-E135 HydrophobicContact CZ-CG 4.43Å |
| 136 | L | 91.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 148.5 | -174.7 | -48.2 | 176.5 | 0 | 0 | 0 | 111.3 | E63 L65 L71 Y82 A83 V84 L89 | E63-L136 HydrophobicContact CB-CB 4.12Å; E63-L136 PolarHBondContact N-O 3.42Å; E63-L136 PolarHBondContact O-N 2.83Å; L65-L136 HydrophobicContact CD1-CD1 3.71Å; L71-L136 HydrophobicContact CD2-CD1 3.64Å; L71-L136 HydrophobicContact CG-CD1 4.48Å; Y82-L136 HydrophobicContact CD1-CD1 4.16Å; A83-L136 CarbonylContact O-C 3.47Å; A83-L136 WeakPolarHBondContact O-CA 3.26Å; V84-L136 HydrophobicContact CB-CD2 4.06Å; V84-L136 HydrophobicContact CG1-CD2 4.02Å; V84-L136 HydrophobicContact CG2-CD2 3.82Å; L89-L136 HydrophobicContact CD1-CD2 3.95Å; L89-L136 HydrophobicContact CD2-CD1 4.24Å |
| 137 | L | 92 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 122.3 | 162.8 | -178.7 | 67.7 | 0 | 0 | 0 | 108.4 | L39 L45 I56 F61 Y82 A83 L85 | L39-L137 HydrophobicContact CD1-CD2 4.14Å; L45-L137 HydrophobicContact CD1-CD2 4.17Å; I56-L137 HydrophobicContact CG2-CD2 3.6Å; F61-L137 CarbonylContact O-C 3.56Å; F61-L137 WeakPolarHBondContact O-CA 3.41Å; Y82-L137 CarbonylContact C-O 3.46Å; Y82-L137 VanDerWaalsContact CA-O 3.26Å; Y82-L137 WeakPolarHBondContact CA-O 3.42Å; A83-L137 HydrophobicContact CB-CB 4.33Å; A83-L137 PolarHBondContact N-O 3.06Å; A83-L137 PolarHBondContact O-N 3.19Å; L85-L137 HydrophobicContact CD1-CB 4.15Å; L85-L137 HydrophobicContact CD2-CB 4.1Å; L85-L137 HydrophobicContact CG-CB 4.17Å |
| 138 | R | 94.4 | Very high | 90.4 | Very high | 57 Ų | 57 | 41.8 Ų | 41.8 | 22% | 0.215 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 132.1 | -180 | -174.6 | -171.4 | 82.4 | -178.4 | 8.3 | 110.6 | F61 E63 W81 Y82 E140 | F61-R138 HydrophobicContact CB-CB 4.35Å; F61-R138 PolarHBondContact N-O 3.24Å; F61-R138 PolarHBondContact O-N 3.45Å; E63-R138 HydrophobicContact CG-CB 3.92Å; E63-R138 WeakPolarHBondContact OE1-CD 3.48Å; E63-R138 IonicContact OE1-CZ 3.23Å; E63-R138 IonicContact OE1-NE 3.28Å; E63-R138 IonicContact OE1-NH1 3.57Å; E63-R138 PolarHBondContact OE1-NH1 3.44Å; W81-R138 CarbonylContact O-C 3.51Å; W81-R138 WeakPolarHBondContact O-CA 3.25Å; Y82-R138 HydrophobicContact CD1-CB 4.06Å; Y82-R138 HydrophobicContact CD1-CG 3.98Å; Y82-R138 HydrophobicContact CE1-CB 4.04Å; Y82-R138 HydrophobicContact CE1-CG 3.57Å; R138-E140 IonicContact NH2-OE1 3.87Å |
| 139 | I | 93.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 126.8 | 172 | -53.4 | 179.7 | 0 | 0 | 0 | 108.6 | I56 S80 W81 E143 F144 L147 | I56-I139 HydrophobicContact CB-CD1 4.37Å; I56-I139 HydrophobicContact CD1-CD1 4.44Å; I56-I139 HydrophobicContact CG1-CD1 3.9Å; I56-I139 HydrophobicContact CG2-CD1 3.89Å; S80-I139 CarbonylContact C-O 3.5Å; S80-I139 VanDerWaalsContact CA-O 3.25Å; S80-I139 WeakPolarHBondContact CA-O 3.41Å; S80-I139 WeakPolarHBondContact CB-O 3.47Å; W81-I139 HydrophobicContact CE3-CB 4.12Å; W81-I139 HydrophobicContact CE3-CD1 3.61Å; W81-I139 HydrophobicContact CE3-CG1 3.81Å; W81-I139 HydrophobicContact CZ3-CD1 3.56Å; W81-I139 HydrophobicContact CZ3-CG1 4.06Å; W81-I139 PolarHBondContact N-O 2.96Å; W81-I139 PolarHBondContact O-N 3.27Å; I139-E143 HydrophobicContact CG2-CB 4.11Å; I139-F144 HydrophobicContact CB-CD2 4.45Å; I139-F144 HydrophobicContact CD1-CD2 4.37Å; I139-F144 HydrophobicContact CG2-CB 3.89Å; I139-F144 HydrophobicContact CG2-CD2 4.31Å; I139-L147 HydrophobicContact CD1-CD1 4.31Å; I139-L147 HydrophobicContact CG2-CD1 4.43Å |
| 140 | E | 93.9 | Very high | 89.8 | Confident | 84 Ų | 84 | 53.5 Ų | 53.5 | 39% | 0.393 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 149.5 | 179 | -63.3 | -176.1 | 170.4 | 0 | 0 | 111.7 | F61 R138 K142 E143 F144 | F61-E140 HydrophobicContact CD2-CG 4.46Å; F61-E140 HydrophobicContact CE2-CG 4.1Å; R138-E140 IonicContact NH2-OE1 3.87Å; E140-K142 VanDerWaalsContact C-N 3.31Å; E140-K142 PolarHBondContact O-N 2.97Å; E140-E143 PolarHBondContact O-N 3.39Å; E140-E143 VanDerWaalsContact O-N 3.15Å; E140-F144 PolarHBondContact O-N 3.01Å |
| 141 | Q | 92.9 | Very high | 89.4 | Confident | 48 Ų | 48 | 55.1 Ų | 55.1 | 22% | 0.224 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -51.2 | -44.3 | -174.3 | 174.8 | -177.6 | 55 | 0 | 0 | 114 | T79 I118 N121 E143 F144 R145 | T79-Q141 WeakPolarHBondContact O-CB 3.35Å; T79-Q141 PolarHBondContact O-N 2.91Å; I118-Q141 HydrophobicContact CB-CB 4.24Å; I118-Q141 HydrophobicContact CB-CG 3.96Å; I118-Q141 HydrophobicContact CD1-CB 4.09Å; I118-Q141 HydrophobicContact CD1-CG 4.48Å; I118-Q141 HydrophobicContact CG1-CB 4.39Å; I118-Q141 HydrophobicContact CG1-CG 4.25Å; I118-Q141 PolarHBondContact O-NE2 3.4Å; N121-Q141 PolarHBondContact OD1-NE2 3.47Å; Q141-E143 PolarHBondContact O-N 3.44Å; Q141-F144 PolarHBondContact O-N 3.42Å; Q141-R145 HydrophobicContact CG-CG 4.45Å; Q141-R145 WeakPolarHBondContact O-CB 3.04Å; Q141-R145 WeakPolarHBondContact O-CG 3.47Å; Q141-R145 PolarHBondContact O-N 3.37Å |
| 142 | K | 92.3 | Very high | 89.2 | Confident | 162 Ų | 162 | 57.4 Ų | 57.4 | 70% | 0.704 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -61 | -47.5 | -177.9 | -177.1 | -171.9 | 174 | -166.3 | 0 | 111.3 | E140 S146 | E140-K142 VanDerWaalsContact C-N 3.31Å; E140-K142 PolarHBondContact O-N 2.97Å; K142-S146 PolarHBondContact O-N 2.88Å |
| 143 | E | 92.9 | Very high | 89 | Confident | 74 Ų | 74 | 59.8 Ų | 59.8 | 35% | 0.346 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69.5 | -42.6 | 179.4 | -60.8 | -53.1 | 140.8 | 0 | 0 | 110.6 | C59 I139 E140 Q141 R145 S146 L147 | C59-E143 HydrophobicContact CB-CB 4.13Å; C59-E143 HydrophobicContact CB-CG 4.11Å; I139-E143 HydrophobicContact CG2-CB 4.11Å; E140-E143 PolarHBondContact O-N 3.39Å; E140-E143 VanDerWaalsContact O-N 3.15Å; Q141-E143 PolarHBondContact O-N 3.44Å; E143-R145 VanDerWaalsContact C-N 3.35Å; E143-R145 PolarHBondContact O-N 2.8Å; E143-S146 WeakPolarHBondContact O-CB 3.3Å; E143-S146 PolarHBondContact O-N 2.82Å; E143-L147 WeakPolarHBondContact O-CG 3.31Å; E143-L147 PolarHBondContact O-N 3.24Å |
| 144 | F | 91.8 | Very high | 88.7 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.009 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.7 | -40.1 | 178.4 | -167.6 | -111.8 | 0 | 0 | 0 | 112.8 | W81 E116 I118 L119 I139 E140 Q141 L147 W148 L159 | W81-F144 HydrophobicContact CB-CD1 3.97Å; W81-F144 HydrophobicContact CB-CD2 3.93Å; W81-F144 HydrophobicContact CB-CE1 4.11Å; W81-F144 HydrophobicContact CB-CE2 4.09Å; W81-F144 HydrophobicContact CB-CG 3.87Å; W81-F144 HydrophobicContact CB-CZ 4.17Å; W81-F144 AromaticContact CD1-CE1 3.78Å; W81-F144 AromaticContact CD1-CE2 3.87Å; W81-F144 AromaticContact CD1-CZ 3.43Å; W81-F144 VanDerWaalsContact CD1-CZ 3.43Å; W81-F144 HydrophobicContact CD2-CD2 4.04Å; W81-F144 AromaticContact CD2-CE2 3.54Å; W81-F144 HydrophobicContact CD2-CE2 3.54Å; W81-F144 AromaticContact CD2-CZ 3.94Å; W81-F144 HydrophobicContact CD2-CZ 3.94Å; W81-F144 AromaticContact CE2-CE2 3.77Å; W81-F144 AromaticContact CE2-CZ 3.91Å; W81-F144 HydrophobicContact CE3-CD2 4.29Å; W81-F144 HydrophobicContact CE3-CE2 4.06Å; W81-F144 HydrophobicContact CG-CD1 4.28Å; W81-F144 AromaticContact CG-CD2 3.93Å; W81-F144 HydrophobicContact CG-CD2 3.93Å; W81-F144 AromaticContact CG-CE1 3.96Å; W81-F144 HydrophobicContact CG-CE1 3.96Å; W81-F144 AromaticContact CG-CE2 3.58Å; W81-F144 HydrophobicContact CG-CE2 3.58Å; W81-F144 HydrophobicContact CG-CG 4.27Å; W81-F144 AromaticContact CG-CZ 3.6Å; W81-F144 HydrophobicContact CG-CZ 3.6Å; W81-F144 HydrophobicContact CZ2-CE2 4.37Å; W81-F144 AromaticContact NE1-CE2 3.98Å; W81-F144 AromaticContact NE1-CZ 3.63Å; E116-F144 HydrophobicContact CB-CE1 4.35Å; I118-F144 HydrophobicContact CD1-CB 4.27Å; I118-F144 HydrophobicContact CD1-CD1 3.92Å; I118-F144 HydrophobicContact CD1-CG 4.37Å; I118-F144 HydrophobicContact CG1-CD1 4.11Å; L119-F144 HydrophobicContact CD1-CD1 4.46Å; L119-F144 HydrophobicContact CD1-CE1 3.88Å; L119-F144 HydrophobicContact CD2-CD1 3.67Å; L119-F144 HydrophobicContact CD2-CE1 3.93Å; L119-F144 HydrophobicContact CG-CD1 3.99Å; L119-F144 HydrophobicContact CG-CE1 3.87Å; I139-F144 HydrophobicContact CB-CD2 4.45Å; I139-F144 HydrophobicContact CD1-CD2 4.37Å; I139-F144 HydrophobicContact CG2-CB 3.89Å; I139-F144 HydrophobicContact CG2-CD2 4.31Å; E140-F144 PolarHBondContact O-N 3.01Å; Q141-F144 PolarHBondContact O-N 3.42Å; F144-L147 PolarHBondContact O-N 3.33Å; F144-W148 WeakPolarHBondContact O-CB 3.49Å; F144-W148 PolarHBondContact O-N 3.13Å; F144-L159 HydrophobicContact CZ-CD1 4.45Å; F144-L159 HydrophobicContact CZ-CD2 4.03Å |
| 145 | R | 90.2 | Very high | 88.1 | Confident | 68 Ų | 68 | 57.3 Ų | 57.3 | 26% | 0.257 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.8 | -46.9 | 172.9 | -77.7 | 176.6 | 179.7 | -116 | 4.1 | 111.9 | I118 L119 N121 Q141 E143 L147 W148 E149 | I118-R145 PolarHBondContact O-NE 3.22Å; I118-R145 VanDerWaalsContact O-NE 3.13Å; I118-R145 PolarHBondContact O-NH2 3.32Å; L119-R145 HydrophobicContact CD2-CB 4.4Å; L119-R145 HydrophobicContact CD2-CG 3.77Å; L119-R145 PolarHBondContact O-NH1 3.08Å; L119-R145 PolarHBondContact O-NH2 2.96Å; N121-R145 PolarHBondContact ND2-NH2 3.06Å; N121-R145 VanDerWaalsContact ND2-NH2 3.12Å; N121-R145 PolarHBondContact OD1-NH2 3.31Å; Q141-R145 HydrophobicContact CG-CG 4.45Å; Q141-R145 WeakPolarHBondContact O-CB 3.04Å; Q141-R145 WeakPolarHBondContact O-CG 3.47Å; Q141-R145 PolarHBondContact O-N 3.37Å; E143-R145 VanDerWaalsContact C-N 3.35Å; E143-R145 PolarHBondContact O-N 2.8Å; R145-L147 VanDerWaalsContact C-N 3.32Å; R145-L147 PolarHBondContact O-N 2.98Å; R145-W148 PolarHBondContact O-N 3.27Å; R145-E149 WeakPolarHBondContact O-CG 3.47Å; R145-E149 PolarHBondContact O-N 3.28Å |
| 146 | S | 90.6 | Very high | 87.4 | Confident | 37 Ų | 37 | 57 Ų | 57 | 26% | 0.259 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.9 | -40.4 | 176.4 | 173.6 | 0 | 0 | 0 | 0 | 112.3 | K142 E143 K150 | K142-S146 PolarHBondContact O-N 2.88Å; E143-S146 WeakPolarHBondContact O-CB 3.3Å; E143-S146 PolarHBondContact O-N 2.82Å; S146-K150 WeakPolarHBondContact O-CG 3.44Å; S146-K150 PolarHBondContact O-N 3.36Å |
| 147 | L | 89 | Confident | 86.3 | Confident | 8 Ų | 8 | 58.6 Ų | 58.6 | 4% | 0.042 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.9 | -45.8 | 174.8 | -67 | 176.5 | 0 | 0 | 0 | 111.7 | L52 Q55 I56 I139 E143 F144 R145 K150 F151 M155 | L52-L147 HydrophobicContact CD1-CB 4.24Å; L52-L147 HydrophobicContact CD1-CD1 4.44Å; L52-L147 HydrophobicContact CD1-CD2 4.14Å; Q55-L147 HydrophobicContact CB-CD2 3.44Å; Q55-L147 VanDerWaalsContact CB-CD2 3.44Å; Q55-L147 HydrophobicContact CG-CD2 4.25Å; I56-L147 HydrophobicContact CG1-CD1 4.03Å; I139-L147 HydrophobicContact CD1-CD1 4.31Å; I139-L147 HydrophobicContact CG2-CD1 4.43Å; E143-L147 WeakPolarHBondContact O-CG 3.31Å; E143-L147 PolarHBondContact O-N 3.24Å; F144-L147 PolarHBondContact O-N 3.33Å; R145-L147 VanDerWaalsContact C-N 3.32Å; R145-L147 PolarHBondContact O-N 2.98Å; L147-K150 PolarHBondContact O-N 2.98Å; L147-F151 WeakPolarHBondContact O-CB 3.39Å; L147-F151 WeakPolarHBondContact O-CD2 3.38Å; L147-F151 PolarHBondContact O-N 3.44Å; L147-M155 HydrophobicContact CB-CE 3.82Å |
| 148 | W | 86.7 | Confident | 85.3 | Confident | 71 Ų | 71 | 59.5 Ų | 59.5 | 27% | 0.269 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 179.9 | -177.5 | 68.6 | 0 | 0 | 0 | 111.5 | L119 F144 R145 K150 F151 H152 M155 Y163 | L119-W148 HydrophobicContact CD1-CB 4.4Å; L119-W148 HydrophobicContact CD1-CD2 3.77Å; L119-W148 HydrophobicContact CD1-CE3 4.26Å; L119-W148 HydrophobicContact CD1-CG 3.83Å; L119-W148 HydrophobicContact CD2-CB 3.83Å; L119-W148 HydrophobicContact CD2-CD2 4.04Å; L119-W148 HydrophobicContact CD2-CE3 3.97Å; L119-W148 HydrophobicContact CD2-CG 4.02Å; L119-W148 HydrophobicContact CG-CD2 4.47Å; F144-W148 WeakPolarHBondContact O-CB 3.49Å; F144-W148 PolarHBondContact O-N 3.13Å; R145-W148 PolarHBondContact O-N 3.27Å; W148-K150 VanDerWaalsContact C-N 3.28Å; W148-K150 PolarHBondContact O-N 2.72Å; W148-F151 PolarHBondContact O-N 3.29Å; W148-H152 VanDerWaalsContact O-CA 3.24Å; W148-H152 WeakPolarHBondContact O-CA 3.49Å; W148-H152 WeakPolarHBondContact O-CB 3.36Å; W148-H152 PolarHBondContact O-N 2.93Å; W148-M155 HydrophobicContact CB-SD 4.16Å; W148-M155 HydrophobicContact CG-SD 4.48Å; W148-Y163 PolarHBondContact NE1-O 3.05Å; W148-Y163 VanDerWaalsContact NE1-O 3.11Å |
| 149 | E | 87.3 | Confident | 84.6 | Confident | 139 Ų | 139 | 56.9 Ų | 56.9 | 65% | 0.65 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -56.5 | -41.5 | 176.9 | -73.5 | 173 | -175.8 | 0 | 0 | 112.3 | R145 | R145-E149 WeakPolarHBondContact O-CG 3.47Å; R145-E149 PolarHBondContact O-N 3.28Å |
| 150 | K | 86.2 | Confident | 83.7 | Confident | 131 Ų | 131 | 57 Ų | 57 | 57% | 0.57 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -77.7 | -34.4 | -179.4 | -69.5 | 174.7 | -174.3 | 171.3 | 0 | 113.8 | S146 L147 W148 | S146-K150 WeakPolarHBondContact O-CG 3.44Å; S146-K150 PolarHBondContact O-N 3.36Å; L147-K150 PolarHBondContact O-N 2.98Å; W148-K150 VanDerWaalsContact C-N 3.28Å; W148-K150 PolarHBondContact O-N 2.72Å |
| 151 | F | 84 | Confident | 82.7 | Confident | 36 Ų | 36 | 54.6 Ų | 54.6 | 16% | 0.158 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -124.3 | 19.7 | -168.9 | -62.1 | -81.8 | 0 | 0 | 0 | 113.9 | R51 L52 Q55 L147 W148 H153 C154 M155 | R51-F151 HydrophobicContact CB-CE1 4.16Å; R51-F151 HydrophobicContact CB-CZ 4.47Å; L52-F151 HydrophobicContact CB-CB 4.5Å; L52-F151 HydrophobicContact CB-CD1 4.19Å; L52-F151 HydrophobicContact CB-CG 4.16Å; L52-F151 HydrophobicContact CD1-CB 4.23Å; L52-F151 HydrophobicContact CD1-CD2 3.96Å; L52-F151 HydrophobicContact CD1-CG 4.17Å; L52-F151 HydrophobicContact CD2-CB 4.14Å; Q55-F151 HydrophobicContact CG-CE2 4.09Å; Q55-F151 HydrophobicContact CG-CZ 4.33Å; L147-F151 WeakPolarHBondContact O-CB 3.39Å; L147-F151 WeakPolarHBondContact O-CD2 3.38Å; L147-F151 PolarHBondContact O-N 3.44Å; W148-F151 PolarHBondContact O-N 3.29Å; F151-H153 PolarHBondContact O-N 3.14Å; F151-H153 VanDerWaalsContact O-N 3.09Å; F151-C154 HydrophobicContact CB-CB 4.44Å; F151-C154 WeakPolarHBondContact O-CA 3.48Å; F151-C154 WeakPolarHBondContact O-CB 3.44Å; F151-C154 PolarHBondContact O-N 3.43Å; F151-M155 PolarHBondContact O-N 3.24Å; F151-M155 VanDerWaalsContact O-N 3.15Å |
| 152 | H | 80.7 | Confident | 81.8 | Confident | 105 Ų | 105 | 57.3 Ų | 57.3 | 49% | 0.486 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -51.1 | -39.7 | -175.9 | 67.1 | -80.1 | 0 | 0 | 0 | 113.1 | W148 C154 M155 A156 | W148-H152 VanDerWaalsContact O-CA 3.24Å; W148-H152 WeakPolarHBondContact O-CA 3.49Å; W148-H152 WeakPolarHBondContact O-CB 3.36Å; W148-H152 PolarHBondContact O-N 2.93Å; H152-C154 VanDerWaalsContact C-N 3.3Å; H152-C154 PolarHBondContact O-N 3.42Å; H152-M155 CarbonylContact O-C 3.58Å; H152-M155 PolarHBondContact O-N 2.61Å; H152-A156 PolarHBondContact O-N 2.92Å |
| 153 | H | 78.8 | Confident | 81 | Confident | 120 Ų | 120 | 50.8 Ų | 50.8 | 56% | 0.556 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -60.9 | -35.4 | 176.5 | 62.6 | -79.8 | 0 | 0 | 0 | 113 | F151 | F151-H153 PolarHBondContact O-N 3.14Å; F151-H153 VanDerWaalsContact O-N 3.09Å |
| 154 | C | 76.3 | Confident | 80.1 | Confident | 32 Ų | 32 | 48.1 Ų | 48.1 | 22% | 0.216 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -79.2 | -18 | 174.7 | -59.6 | 0 | 0 | 0 | 0 | 113.3 | H49 L52 F151 H152 | H49-C154 HydrophobicContact CB-CB 4.05Å; L52-C154 HydrophobicContact CD2-CB 4.42Å; F151-C154 HydrophobicContact CB-CB 4.44Å; F151-C154 WeakPolarHBondContact O-CA 3.48Å; F151-C154 WeakPolarHBondContact O-CB 3.44Å; F151-C154 PolarHBondContact O-N 3.43Å; H152-C154 VanDerWaalsContact C-N 3.3Å; H152-C154 PolarHBondContact O-N 3.42Å |
| 155 | M | 76.1 | Confident | 79.3 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -100.1 | -14.1 | -178.1 | -64.8 | -172.3 | 174.8 | 0 | 0 | 113.3 | F48 L52 L147 W148 F151 H152 G157 L158 L159 | F48-M155 HydrophobicContact CE1-CG 4.19Å; L52-M155 HydrophobicContact CD1-CE 3.3Å; L52-M155 HydrophobicContact CD2-CE 3.42Å; L52-M155 VanDerWaalsContact CD2-CE 3.42Å; L52-M155 HydrophobicContact CD2-CG 3.66Å; L52-M155 HydrophobicContact CD2-SD 4.39Å; L52-M155 HydrophobicContact CG-CE 3.96Å; L147-M155 HydrophobicContact CB-CE 3.82Å; W148-M155 HydrophobicContact CB-SD 4.16Å; W148-M155 HydrophobicContact CG-SD 4.48Å; F151-M155 PolarHBondContact O-N 3.24Å; F151-M155 VanDerWaalsContact O-N 3.15Å; H152-M155 CarbonylContact O-C 3.58Å; H152-M155 PolarHBondContact O-N 2.61Å; M155-G157 VanDerWaalsContact C-N 3.29Å; M155-G157 PolarHBondContact O-N 3.43Å; M155-L158 PolarHBondContact O-N 3.24Å; M155-L159 HydrophobicContact CB-CD1 4.02Å; M155-L159 HydrophobicContact CB-CG 4.2Å; M155-L159 PolarHBondContact O-N 3.3Å; M155-L159 HydrophobicContact SD-CD1 4.32Å |
| 156 | A | 73.8 | Confident | 78 | Confident | 24 Ų | 24 | 53.2 Ų | 53.2 | 20% | 0.198 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -39.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | H152 L158 G164 V165 | H152-A156 PolarHBondContact O-N 2.92Å; A156-L158 VanDerWaalsContact C-N 3.29Å; A156-L158 PolarHBondContact O-N 2.94Å; A156-G164 CarbonylContact O-C 3.48Å; A156-G164 VanDerWaalsContact O-CA 3.25Å; A156-G164 WeakPolarHBondContact O-CA 3.36Å; A156-V165 HydrophobicContact CB-CG1 4.48Å; A156-V165 WeakPolarHBondContact O-CG2 3.37Å; A156-V165 PolarHBondContact O-N 3.23Å |
| 157 | G | 68.6 | Low | 76.7 | Confident | 32 Ų | 32 | 55 Ų | 55 | 33% | 0.33 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -16.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | M155 R453 | M155-G157 VanDerWaalsContact C-N 3.29Å; M155-G157 PolarHBondContact O-N 3.43Å; G157-R453 VanDerWaalsContact C-NH2 3.32Å; G157-R453 PolarHBondContact O-NE 3.5Å; G157-R453 PolarHBondContact O-NH2 3.23Å |
| 158 | L | 72.2 | Confident | 75.3 | Confident | 19 Ų | 19 | 56.2 Ų | 56.2 | 10% | 0.099 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -39.2 | -177.3 | -172.2 | 73.4 | 0 | 0 | 0 | 113.3 | F48 M155 A156 Y430 | F48-L158 HydrophobicContact CD1-CD2 4.04Å; F48-L158 HydrophobicContact CD2-CD2 4.42Å; F48-L158 HydrophobicContact CE1-CD2 3.19Å; F48-L158 HydrophobicContact CE2-CD2 3.6Å; F48-L158 HydrophobicContact CZ-CD2 2.94Å; F48-L158 HydrophobicContact CZ-CG 4.45Å; M155-L158 PolarHBondContact O-N 3.24Å; A156-L158 VanDerWaalsContact C-N 3.29Å; A156-L158 PolarHBondContact O-N 2.94Å; L158-Y430 PolarHBondContact O-OH 3.5Å |
| 159 | L | 79.2 | Confident | 73.5 | Confident | 3 Ų | 3 | 57.6 Ų | 57.6 | 2% | 0.016 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -83.5 | 149.7 | -174.8 | -55.6 | -179.3 | 0 | 0 | 0 | 112.2 | E116 L119 F144 M155 R453 | E116-L159 HydrophobicContact CB-CD2 4.15Å; L119-L159 HydrophobicContact CD1-CD1 4.12Å; F144-L159 HydrophobicContact CZ-CD1 4.45Å; F144-L159 HydrophobicContact CZ-CD2 4.03Å; M155-L159 HydrophobicContact CB-CD1 4.02Å; M155-L159 HydrophobicContact CB-CG 4.2Å; M155-L159 PolarHBondContact O-N 3.3Å; M155-L159 HydrophobicContact SD-CD1 4.32Å; L159-R453 PolarHBondContact O-NH2 3.41Å |
| 160 | A | 75.3 | Confident | 71.3 | Confident | 2 Ų | 2 | 54.1 Ų | 54.1 | 2% | 0.017 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 150.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | E116 Y163 G164 V425 | E116-A160 WeakPolarHBondContact OE1-CB 3.46Å; E116-A160 PolarHBondContact OE1-N 2.97Å; E116-A160 VanDerWaalsContact OE1-N 3.15Å; A160-Y163 WeakPolarHBondContact O-CD2 3.35Å; A160-Y163 PolarHBondContact O-N 3.01Å; A160-G164 PolarHBondContact O-N 3.33Å; A160-V425 HydrophobicContact CB-CB 4.31Å; A160-V425 HydrophobicContact CB-CG1 3.79Å |
| 161 | P | 72 | Confident | 68.7 | Low | 33 Ų | 33 | 52.9 Ų | 52.9 | 21% | 0.214 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 142.8 | 168.6 | -23.9 | 34.1 | 0 | 0 | 0 | 111.7 | M166 V425 | P161-M166 HydrophobicContact CG-CB 3.97Å; P161-M166 HydrophobicContact CG-CG 4.33Å; P161-V425 HydrophobicContact CG-CG2 4.33Å |
| 162 | P | 73.3 | Confident | 66.1 | Low | 106 Ų | 106 | 58.8 Ų | 58.8 | 69% | 0.688 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -86.4 | 2.3 | 7.8 | 35.2 | -37.3 | 0 | 0 | 0 | 115.2 | ||
| 163 | Y | 77.1 | Confident | 63.6 | Low | 24 Ų | 24 | 64.9 Ų | 64.9 | 9% | 0.094 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -18.9 | -173 | -41.5 | -74.1 | 0 | 0 | 0 | 113.8 | E116 L119 D120 W148 A160 | E116-Y163 HydrophobicContact CB-CD2 4.11Å; E116-Y163 HydrophobicContact CG-CD2 3.52Å; E116-Y163 HydrophobicContact CG-CE2 3.91Å; E116-Y163 HydrophobicContact CG-CG 4.41Å; L119-Y163 HydrophobicContact CB-CD1 3.6Å; L119-Y163 HydrophobicContact CB-CE1 3.64Å; L119-Y163 HydrophobicContact CB-CG 4.44Å; L119-Y163 HydrophobicContact CD1-CD1 3.66Å; L119-Y163 HydrophobicContact CD1-CE1 4.46Å; L119-Y163 HydrophobicContact CD1-CG 3.78Å; L119-Y163 HydrophobicContact CG-CD1 4.26Å; D120-Y163 HydrophobicContact CB-CE1 4.1Å; D120-Y163 PolarHBondContact OD1-OH 3.01Å; D120-Y163 PolarHBondContact OD2-OH 3.01Å; W148-Y163 PolarHBondContact NE1-O 3.05Å; W148-Y163 VanDerWaalsContact NE1-O 3.11Å; A160-Y163 WeakPolarHBondContact O-CD2 3.35Å; A160-Y163 PolarHBondContact O-N 3.01Å |
| 164 | G | 73.1 | Confident | 60.9 | Low | 18 Ų | 18 | 67.8 Ų | 67.8 | 19% | 0.186 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -134.1 | -165.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | A156 A160 | A156-G164 CarbonylContact O-C 3.48Å; A156-G164 VanDerWaalsContact O-CA 3.25Å; A156-G164 WeakPolarHBondContact O-CA 3.36Å; A160-G164 PolarHBondContact O-N 3.33Å |
| 165 | V | 74.9 | Confident | 58.6 | Low | 61 Ų | 61 | 72.2 Ų | 72.2 | 37% | 0.37 | 42% | 0.419 | S | S | . | . | trans | -85.6 | 150.4 | 178.1 | -70.5 | 0 | 0 | 0 | 0 | 111.9 | A156 D167 R453 | A156-V165 HydrophobicContact CB-CG1 4.48Å; A156-V165 WeakPolarHBondContact O-CG2 3.37Å; A156-V165 PolarHBondContact O-N 3.23Å; V165-D167 WeakPolarHBondContact CB-O 3.36Å; V165-D167 VanDerWaalsContact CG2-O 3.24Å; V165-D167 WeakPolarHBondContact CG2-O 3.44Å; V165-R453 PolarHBondContact O-NH1 3.07Å; V165-R453 PolarHBondContact O-NH2 3.49Å | ||
| 166 | M | 62.1 | Low | 56.2 | Low | 117 Ų | 117 | 80.9 Ų | 80.9 | 58% | 0.576 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -70.5 | -42.5 | 176.9 | -167.8 | 160.3 | -179.4 | 0 | 0 | 111.1 | P161 N417 | P161-M166 HydrophobicContact CG-CB 3.97Å; P161-M166 HydrophobicContact CG-CG 4.33Å; M166-N417 PolarHBondContact O-ND2 3.43Å; M166-N417 VanDerWaalsContact O-ND2 3.16Å |
| 167 | D | 65 | Low | 54.3 | Low | 73 Ų | 73 | 89.8 Ų | 89.8 | 39% | 0.39 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -124.1 | 138 | 174.3 | -53.9 | -41.5 | 0 | 0 | 0 | 109.5 | V165 N169 A394 | V165-D167 WeakPolarHBondContact CB-O 3.36Å; V165-D167 VanDerWaalsContact CG2-O 3.24Å; V165-D167 WeakPolarHBondContact CG2-O 3.44Å; D167-N169 PolarHBondContact O-N 3.07Å; D167-A394 HydrophobicContact CB-CB 4.41Å |
| 168 | S | 58.5 | Low | 52.3 | Low | 35 Ų | 35 | 97.2 Ų | 97.2 | 25% | 0.245 | 52% | 0.52 | C | S | . | . | S | Bend | trans | -81.1 | -9.3 | -171.8 | 49.5 | 0 | 0 | 0 | 0 | 115.6 | G170 R453 | S168-G170 PolarHBondContact O-N 3.4Å; S168-R453 PolarHBondContact N-O 3.33Å |
| 169 | N | 49 | Very low | 50.2 | Low | 100 Ų | 100 | 104 Ų | 104 | 54% | 0.535 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.5 | 26.8 | -163.5 | -74.5 | 16.7 | 0 | 0 | 0 | 115.5 | D167 D455 | D167-N169 PolarHBondContact O-N 3.07Å; N169-D455 PolarHBondContact ND2-OD2 2.83Å |
| 170 | G | 40.3 | Very low | 47.8 | Very low | 65 Ų | 65 | 112.1 Ų | 112.1 | 67% | 0.67 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.1 | -5 | -167.5 | 0 | 0 | 0 | 0 | 0 | 119 | S168 | S168-G170 PolarHBondContact O-N 3.4Š|
| 171 | S | 33.3 | Very low | 45.4 | Very low | 105 Ų | 105 | 117.5 Ų | 117.5 | 73% | 0.734 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | 2.2 | -167.7 | 83.8 | 0 | 0 | 0 | 0 | 117.6 | ||
| 172 | D | 28.7 | Very low | 43.2 | Very low | 161 Ų | 161 | 120.6 Ų | 120.6 | 86% | 0.861 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | 14.6 | -174.3 | -94.1 | 0.3 | 0 | 0 | 0 | 115.7 | ||
| 173 | R | 27.4 | Very low | 40.8 | Very low | 233 Ų | 233 | 122.8 Ų | 122.8 | 88% | 0.879 | 66% | 0.664 | S | S | * | * | trans | -114.6 | 106.2 | 167.8 | -72.4 | -171.8 | 179.7 | -174.5 | 1.1 | 110.8 | ||||
| 174 | M | 23.1 | Very low | 38.3 | Very low | 181 Ų | 181 | 126.2 Ų | 126.2 | 89% | 0.892 | 69% | 0.692 | S | S | * | * | trans | -53.8 | 132 | 165.6 | -71.1 | -167.6 | 85.9 | 0 | 0 | 109.4 | E176 | M174-E176 PolarHBondContact O-N 3.32Š| ||
| 175 | P | 28.4 | Very low | 36 | Very low | 124 Ų | 124 | 135 Ų | 135 | 81% | 0.805 | 73% | 0.725 | S | S | * | * | trans | -78.7 | 110.8 | 166.5 | 29.5 | -26.6 | 0 | 0 | 0 | 108 | K177 | P175-K177 PolarHBondContact O-N 3.09Š| ||
| 176 | E | 25.6 | Very low | 33.6 | Very low | 182 Ų | 182 | 137.6 Ų | 137.6 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | trans | -60.7 | 134.5 | 161.7 | -79.2 | -173.7 | 150.7 | 0 | 0 | 109 | M174 E178 | M174-E176 PolarHBondContact O-N 3.32Å; E176-E178 PolarHBondContact O-N 3.32Å; E176-E178 VanDerWaalsContact O-N 3.1Å | ||
| 177 | K | 33.5 | Very low | 31.7 | Very low | 211 Ų | 211 | 137 Ų | 137 | 92% | 0.917 | 75% | 0.748 | S | S | * | * | trans | -60 | 110.2 | 175.1 | -80.4 | 174.7 | 171.5 | 174.5 | 0 | 109.4 | P175 | P175-K177 PolarHBondContact O-N 3.09Š| ||
| 178 | E | 27.5 | Very low | 29.8 | Very low | 188 Ų | 188 | 139.7 Ų | 139.7 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | trans | -121.6 | 138.4 | 157 | -75.6 | -161.5 | 155.1 | 0 | 0 | 112.7 | E176 | E176-E178 PolarHBondContact O-N 3.32Å; E176-E178 VanDerWaalsContact O-N 3.1Å | ||
| 179 | N | 26.9 | Very low | 28.1 | Very low | 161 Ų | 161 | 143.7 Ų | 143.7 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -57.9 | 145.5 | -163.2 | -72.2 | -53 | 0 | 0 | 0 | 116.1 | S181 | N179-S181 PolarHBondContact O-N 3.37Š| ||
| 180 | I | 29.4 | Very low | 26.9 | Very low | 174 Ų | 174 | 146.9 Ų | 146.9 | 89% | 0.892 | 80% | 0.804 | S | S | * | * | trans | -50.3 | 121.9 | 159.2 | -65.8 | 163.3 | 0 | 0 | 0 | 109.8 | ||||
| 181 | S | 25.1 | Very low | 26.2 | Very low | 115 Ų | 115 | 151.6 Ų | 151.6 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -146 | 141.6 | 144.2 | 69.5 | 0 | 0 | 0 | 0 | 111.4 | N179 | N179-S181 PolarHBondContact O-N 3.37Š| ||
| 182 | S | 25 | Very low | 26.7 | Very low | 98 Ų | 98 | 151.4 Ų | 151.4 | 69% | 0.685 | 80% | 0.804 | S | S | * | * | trans | -74.1 | 167.2 | -169.4 | 48.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 183 | N | 24.1 | Very low | 26.5 | Very low | 152 Ų | 152 | 152.1 Ų | 152.1 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | trans | 92.8 | 137.3 | 169.3 | -62.1 | -16.6 | 0 | 0 | 0 | 113.8 | ||||
| 184 | S | 24.4 | Very low | 26.3 | Very low | 97 Ų | 97 | 150.1 Ų | 150.1 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | cis | -178.8 | 142.4 | 1.8 | 42.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 185 | F | 24 | Very low | 26.5 | Very low | 201 Ų | 201 | 150.9 Ų | 150.9 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | trans | 47 | 137.6 | 136.4 | -95.9 | -80.7 | 0 | 0 | 0 | 122.5 | ||||
| 186 | V | 23.8 | Very low | 26.3 | Very low | 117 Ų | 117 | 150.2 Ų | 150.2 | 71% | 0.709 | 80% | 0.802 | S | S | * | * | trans | 103.6 | 99.6 | 142.5 | 176.8 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 187 | S | 22.3 | Very low | 26.3 | Very low | 103 Ų | 103 | 151.1 Ų | 151.1 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | 89.6 | 125.5 | 121.8 | 74.7 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 188 | V | 26.5 | Very low | 26.1 | Very low | 130 Ų | 130 | 146.9 Ų | 146.9 | 79% | 0.788 | 80% | 0.798 | S | S | * | * | trans | -53.7 | 134.2 | 150.5 | 176.4 | 0 | 0 | 0 | 0 | 112 | K190 | V188-K190 HydrophobicContact CG1-CG 4.5Š| ||
| 189 | S | 22.5 | Very low | 26 | Very low | 119 Ų | 119 | 146.7 Ų | 146.7 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | -138.8 | 129.2 | 149.7 | 63.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 190 | K | 23.2 | Very low | 25.9 | Very low | 168 Ų | 168 | 144.3 Ų | 144.3 | 73% | 0.73 | 79% | 0.793 | S | S | * | * | trans | -85 | 159.7 | -178 | -69.9 | 174.7 | 167.5 | 177.4 | 0 | 112.5 | V188 | V188-K190 HydrophobicContact CG1-CG 4.5Š| ||
| 191 | H | 26.6 | Very low | 25.9 | Very low | 163 Ų | 163 | 142.1 Ų | 142.1 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | 88.4 | 157.1 | 143 | -76.3 | -39.1 | 0 | 0 | 0 | 118.7 | ||||
| 192 | P | 42.9 | Very low | 25.9 | Very low | 101 Ų | 101 | 141 Ų | 141 | 66% | 0.656 | 79% | 0.788 | S | S | * | * | -131.1 | 178.4 | -83 | 26 | -1.6 | 0 | 0 | 0 | 110.7 | |||||
| 193 | N | 23.9 | Very low | 25.9 | Very low | 176 Ų | 176 | 145.2 Ų | 145.2 | 94% | 0.941 | 79% | 0.794 | S | S | * | * | trans | -154.2 | 138 | 151.3 | -105.6 | -23.4 | 0 | 0 | 0 | 114.6 | ||||
| 194 | K | 24.6 | Very low | 26 | Very low | 192 Ų | 192 | 145.7 Ų | 145.7 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | trans | -110.1 | 154.9 | -175.4 | -134.3 | -179.5 | -172.7 | 178.8 | 0 | 107.7 | ||||
| 195 | K | 26.8 | Very low | 26 | Very low | 197 Ų | 197 | 149.4 Ų | 149.4 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | trans | 83.2 | 139 | 170.8 | -57.3 | -179 | 176.9 | -176.9 | 0 | 114 | ||||
| 196 | S | 23.3 | Very low | 26.1 | Very low | 109 Ų | 109 | 145.1 Ų | 145.1 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | cis | -167.9 | 149.2 | 12.6 | 31.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 197 | F | 26.8 | Very low | 26.2 | Very low | 201 Ų | 201 | 149 Ų | 149 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | trans | -60 | 150.4 | 166.3 | -76.2 | -90.9 | 0 | 0 | 0 | 111.8 | ||||
| 198 | P | 27.9 | Very low | 26.5 | Very low | 123 Ų | 123 | 149.3 Ų | 149.3 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | -135.4 | 149.6 | 116.8 | 28.4 | -11.8 | 0 | 0 | 0 | 114.3 | |||||
| 199 | E | 25.1 | Very low | 26.8 | Very low | 184 Ų | 184 | 148 Ų | 148 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -67.9 | 137.5 | 176.2 | -64.6 | 165.4 | 137.8 | 0 | 0 | 113.1 | ||||
| 200 | S | 24.8 | Very low | 27.6 | Very low | 111 Ų | 111 | 148.7 Ų | 148.7 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | 173.3 | 150.2 | 133 | 47.1 | 0 | 0 | 0 | 0 | 110.5 | A202 | S200-A202 PolarHBondContact O-N 3.45Š| ||
| 201 | P | 30.9 | Very low | 29 | Very low | 128 Ų | 128 | 146.4 Ų | 146.4 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | trans | -84.7 | 103.9 | -161.4 | 32.8 | -31.1 | 0 | 0 | 0 | 111 | K203 | P201-K203 PolarHBondContact O-N 3.24Š| ||
| 202 | A | 24.7 | Very low | 30.6 | Very low | 91 Ų | 91 | 145 Ų | 145 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | -79.9 | 118.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | S200 L204 | S200-A202 PolarHBondContact O-N 3.45Å; A202-L204 PolarHBondContact O-N 3.48Å | ||
| 203 | K | 24.7 | Very low | 31.8 | Very low | 187 Ų | 187 | 141.4 Ų | 141.4 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | trans | -45.3 | 119.2 | 168.2 | -68.6 | 172.3 | 176 | 178.4 | 0 | 110.1 | P201 H205 | P201-K203 PolarHBondContact O-N 3.24Å; K203-H205 PolarHBondContact O-N 3.04Å | ||
| 204 | L | 25.9 | Very low | 34.5 | Very low | 161 Ų | 161 | 135.4 Ų | 135.4 | 84% | 0.843 | 74% | 0.738 | S | S | * | * | trans | -66 | 99.3 | 167.6 | -89.3 | 106.3 | 0 | 0 | 0 | 108.7 | A202 T206 | A202-L204 PolarHBondContact O-N 3.48Å; L204-T206 PolarHBondContact O-N 3.22Å | ||
| 205 | H | 25.4 | Very low | 37.5 | Very low | 175 Ų | 175 | 134.4 Ų | 134.4 | 81% | 0.81 | 74% | 0.737 | S | S | * | * | trans | -78.9 | 98.6 | 157.2 | -82.4 | -68.9 | 0 | 0 | 0 | 107.9 | K203 K207 | K203-H205 PolarHBondContact O-N 3.04Å; H205-K207 PolarHBondContact O-N 3.35Å | ||
| 206 | T | 25.7 | Very low | 40.4 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 68% | 0.681 | 73% | 0.727 | S | S | * | * | trans | -74.1 | 96.6 | 167.8 | 37.2 | 0 | 0 | 0 | 0 | 109.1 | L204 | L204-T206 PolarHBondContact O-N 3.22Š| ||
| 207 | K | 26.2 | Very low | 43.7 | Very low | 198 Ų | 198 | 127.8 Ų | 127.8 | 86% | 0.861 | 70% | 0.695 | S | S | * | * | trans | -86.1 | 110.7 | 155.2 | -84 | -174.6 | 174.1 | -177 | 0 | 106.9 | H205 P209 | H205-K207 PolarHBondContact O-N 3.35Å; K207-P209 WeakPolarHBondContact O-CD 3.46Å | ||
| 208 | S | 28.9 | Very low | 46.8 | Very low | 111 Ų | 111 | 120.5 Ų | 120.5 | 78% | 0.776 | 67% | 0.665 | S | S | * | * | trans | -66.5 | 124.4 | 172.9 | 45.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 209 | P | 32.1 | Very low | 49.9 | Very low | 102 Ų | 102 | 118.7 Ų | 118.7 | 66% | 0.662 | 64% | 0.642 | S | S | * | * | trans | -86.8 | 106.3 | 159.5 | 21.2 | -6.1 | 0 | 0 | 0 | 108.7 | K207 Q211 | K207-P209 WeakPolarHBondContact O-CD 3.46Å; P209-Q211 PolarHBondContact O-N 3.03Å | ||
| 210 | T | 40.1 | Very low | 53.2 | Low | 134 Ų | 134 | 110 Ų | 110 | 82% | 0.822 | 60% | 0.602 | S | S | * | * | trans | 30.7 | 82.8 | 151.5 | 37.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 211 | Q | 53 | Low | 56.5 | Low | 119 Ų | 119 | 104.9 Ų | 104.9 | 56% | 0.556 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 131.4 | 149.4 | -94.6 | 176.1 | -21.1 | 0 | 0 | 108 | P209 P213 D456 | P209-Q211 PolarHBondContact O-N 3.03Å; Q211-P213 WeakPolarHBondContact O-CD 3.26Å; Q211-D456 PolarHBondContact NE2-OD2 3.3Å |
| 212 | V | 58.3 | Low | 59.5 | Low | 134 Ų | 134 | 102.5 Ų | 102.5 | 81% | 0.812 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -70.4 | 120.9 | 170.2 | 178.1 | 0 | 0 | 0 | 0 | 106.8 | ||
| 213 | P | 69.8 | Low | 62.8 | Low | 26 Ų | 26 | 98.5 Ų | 98.5 | 17% | 0.169 | 51% | 0.509 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 143.1 | 179.5 | 19.6 | -29.5 | 0 | 0 | 0 | 110.6 | Q211 E215 L218 E282 V284 | Q211-P213 WeakPolarHBondContact O-CD 3.26Å; P213-E215 PolarHBondContact O-N 2.87Å; P213-L218 HydrophobicContact CB-CB 4.45Å; P213-L218 HydrophobicContact CG-CB 4.5Å; P213-L218 HydrophobicContact CG-CD1 4.17Å; P213-E282 WeakPolarHBondContact CB-O 3.38Å; P213-V284 HydrophobicContact CB-CG2 3.73Å; P213-V284 HydrophobicContact CG-CG2 4.43Å |
| 214 | S | 80.8 | Confident | 66.1 | Low | 50 Ų | 50 | 89.6 Ų | 89.6 | 35% | 0.35 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -50.8 | 131.7 | 172.5 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | K216 I217 L218 E282 | S214-K216 PolarHBondContact O-N 2.96Å; S214-K216 VanDerWaalsContact O-N 3.15Å; S214-I217 PolarHBondContact O-N 3.29Å; S214-L218 WeakPolarHBondContact O-CB 3.39Å; S214-L218 PolarHBondContact O-N 3.26Å; S214-E282 PolarHBondContact N-OE2 2.98Å |
| 215 | E | 86.4 | Confident | 69.4 | Low | 170 Ų | 170 | 82.3 Ų | 82.3 | 79% | 0.794 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -54.8 | -38.7 | -176.9 | -173 | 178.4 | -172.8 | 0 | 0 | 112.1 | P213 R219 | P213-E215 PolarHBondContact O-N 2.87Å; E215-R219 VanDerWaalsContact O-CB 3.31Å; E215-R219 WeakPolarHBondContact O-CB 3.46Å; E215-R219 PolarHBondContact O-N 3.07Å |
| 216 | K | 88.3 | Confident | 72.6 | Confident | 152 Ų | 152 | 74.8 Ų | 74.8 | 66% | 0.661 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -66.1 | -40.9 | 176.9 | -67.7 | -175.6 | 180 | 177.5 | 0 | 112.3 | S214 A220 F332 | S214-K216 PolarHBondContact O-N 2.96Å; S214-K216 VanDerWaalsContact O-N 3.15Å; K216-A220 WeakPolarHBondContact O-CB 3.46Å; K216-A220 PolarHBondContact O-N 2.88Å; K216-F332 HydrophobicContact CB-CE1 4.37Å; K216-F332 HydrophobicContact CB-CZ 4.2Å |
| 217 | I | 92 | Very high | 75.8 | Confident | 15 Ų | 15 | 69.5 Ų | 69.5 | 8% | 0.077 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -75.7 | -37.4 | -178.4 | -58.8 | 177.7 | 0 | 0 | 0 | 110.2 | S214 A220 G221 V278 E282 V284 F332 | S214-I217 PolarHBondContact O-N 3.29Å; I217-A220 WeakPolarHBondContact O-CB 3.38Å; I217-A220 PolarHBondContact O-N 3.21Å; I217-G221 PolarHBondContact O-N 2.84Å; I217-V278 HydrophobicContact CD1-CG1 4.06Å; I217-V278 HydrophobicContact CG1-CG1 4.47Å; I217-V278 HydrophobicContact CG2-CG1 4.24Å; I217-E282 HydrophobicContact CD1-CG 3.63Å; I217-E282 HydrophobicContact CG2-CB 4.02Å; I217-E282 HydrophobicContact CG2-CG 4.17Å; I217-V284 HydrophobicContact CG2-CG2 4.08Å; I217-F332 HydrophobicContact CG1-CE1 4.31Å; I217-F332 HydrophobicContact CG1-CZ 4.45Å |
| 218 | L | 92.3 | Very high | 79 | Confident | 48 Ų | 48 | 60.1 Ų | 60.1 | 25% | 0.251 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.4 | -47.7 | 171.1 | -176.9 | 64.3 | 0 | 0 | 0 | 111 | P213 S214 A220 G221 K222 V284 L304 | P213-L218 HydrophobicContact CB-CB 4.45Å; P213-L218 HydrophobicContact CG-CB 4.5Å; P213-L218 HydrophobicContact CG-CD1 4.17Å; S214-L218 WeakPolarHBondContact O-CB 3.39Å; S214-L218 PolarHBondContact O-N 3.26Å; L218-A220 PolarHBondContact O-N 3.28Å; L218-G221 PolarHBondContact O-N 2.69Å; L218-K222 PolarHBondContact O-N 3.37Å; L218-K222 VanDerWaalsContact O-N 3.09Å; L218-V284 HydrophobicContact CB-CG2 4.5Å; L218-V284 HydrophobicContact CD1-CG2 4.32Å; L218-L304 HydrophobicContact CD1-CD2 3.84Å |
| 219 | R | 92.9 | Very high | 82 | Confident | 85 Ų | 85 | 56.8 Ų | 56.8 | 32% | 0.321 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 175.2 | 179.2 | 56.8 | 176.6 | -153.8 | -14.9 | 111.8 | E215 G221 K222 I223 E321 E325 | E215-R219 VanDerWaalsContact O-CB 3.31Å; E215-R219 WeakPolarHBondContact O-CB 3.46Å; E215-R219 PolarHBondContact O-N 3.07Å; R219-G221 VanDerWaalsContact C-N 3.34Å; R219-G221 PolarHBondContact O-N 2.9Å; R219-K222 WeakPolarHBondContact O-CB 3.35Å; R219-K222 PolarHBondContact O-N 3.08Å; R219-I223 HydrophobicContact CG-CD1 3.87Å; R219-I223 WeakPolarHBondContact O-CG1 3.38Å; R219-I223 PolarHBondContact O-N 3.39Å; R219-E321 IonicContact CZ-OE1 3.89Å; R219-E321 IonicContact CZ-OE2 3.33Å; R219-E321 IonicContact NH1-OE1 3.35Å; R219-E321 IonicContact NH1-OE2 2.81Å; R219-E321 PolarHBondContact NH1-OE2 3Å; R219-E321 IonicContact NH2-OE1 3.08Å; R219-E321 PolarHBondContact NH2-OE1 3.15Å; R219-E321 IonicContact NH2-OE2 2.92Å; R219-E321 PolarHBondContact NH2-OE2 2.8Å; R219-E325 IonicContact CZ-OE1 2.65Å; R219-E325 IonicContact CZ-OE2 2.88Å; R219-E325 IonicContact NE-OE2 2.64Å; R219-E325 PolarHBondContact NE-OE2 2.89Å; R219-E325 IonicContact NH2-OE1 2.98Å; R219-E325 PolarHBondContact NH2-OE1 3.07Å; R219-E325 IonicContact NH2-OE2 3.99Å; R219-E325 PolarHBondContact NH2-OE2 3.21Å |
| 220 | A | 93.6 | Very high | 84.7 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 2% | 0.017 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.4 | -46.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K216 I217 L218 K222 I223 L224 T329 | K216-A220 WeakPolarHBondContact O-CB 3.46Å; K216-A220 PolarHBondContact O-N 2.88Å; I217-A220 WeakPolarHBondContact O-CB 3.38Å; I217-A220 PolarHBondContact O-N 3.21Å; L218-A220 PolarHBondContact O-N 3.28Å; A220-K222 VanDerWaalsContact C-N 3.34Å; A220-K222 PolarHBondContact O-N 2.75Å; A220-I223 PolarHBondContact O-N 3.2Å; A220-L224 WeakPolarHBondContact O-CG 2.98Å; A220-L224 PolarHBondContact O-N 3.03Å; A220-T329 HydrophobicContact CB-CG2 3.56Å |
| 221 | G | 94.4 | Very high | 87 | Confident | 3 Ų | 3 | 52.1 Ų | 52.1 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.8 | -43.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | I217 L218 R219 L224 R225 | I217-G221 PolarHBondContact O-N 2.84Å; L218-G221 PolarHBondContact O-N 2.69Å; R219-G221 VanDerWaalsContact C-N 3.34Å; R219-G221 PolarHBondContact O-N 2.9Å; G221-L224 PolarHBondContact O-N 2.91Å; G221-R225 WeakPolarHBondContact O-CB 3.42Å; G221-R225 PolarHBondContact O-N 2.66Å |
| 222 | K | 93 | Very high | 88.8 | Confident | 79 Ų | 79 | 48 Ų | 48 | 34% | 0.343 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.8 | -48.4 | 175.9 | -70.6 | -172.5 | 174.1 | -174.7 | 0 | 112.4 | L218 R219 A220 L224 R225 H226 | L218-K222 PolarHBondContact O-N 3.37Å; L218-K222 VanDerWaalsContact O-N 3.09Å; R219-K222 WeakPolarHBondContact O-CB 3.35Å; R219-K222 PolarHBondContact O-N 3.08Å; A220-K222 VanDerWaalsContact C-N 3.34Å; A220-K222 PolarHBondContact O-N 2.75Å; K222-L224 VanDerWaalsContact C-N 3.34Å; K222-L224 PolarHBondContact O-N 3.23Å; K222-R225 PolarHBondContact O-N 2.81Å; K222-H226 WeakPolarHBondContact O-CB 3.28Å; K222-H226 PolarHBondContact O-CD2 3.5Å; K222-H226 VanDerWaalsContact O-CD2 3.25Å; K222-H226 PolarHBondContact O-N 3.38Å |
| 223 | I | 94.3 | Very high | 90.3 | Very high | 6 Ų | 6 | 45.2 Ų | 45.2 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.5 | -46.1 | 179.3 | -66.1 | 160.6 | 0 | 0 | 0 | 110.6 | R219 A220 H226 A227 E325 L326 T329 | R219-I223 HydrophobicContact CG-CD1 3.87Å; R219-I223 WeakPolarHBondContact O-CG1 3.38Å; R219-I223 PolarHBondContact O-N 3.39Å; A220-I223 PolarHBondContact O-N 3.2Å; I223-H226 PolarHBondContact O-N 2.79Å; I223-A227 VanDerWaalsContact O-CB 3.29Å; I223-A227 WeakPolarHBondContact O-CB 3.46Å; I223-A227 PolarHBondContact O-N 3.18Å; I223-E325 HydrophobicContact CD1-CB 3.82Å; I223-E325 WeakPolarHBondContact CD1-OE2 3.36Å; I223-E325 HydrophobicContact CG1-CB 4.42Å; I223-E325 HydrophobicContact CG2-CB 4.48Å; I223-L326 HydrophobicContact CG2-CB 4.39Å; I223-L326 HydrophobicContact CG2-CD1 4.36Å; I223-T329 HydrophobicContact CB-CG2 4.48Å; I223-T329 HydrophobicContact CD1-CG2 4.49Å; I223-T329 WeakPolarHBondContact CD1-OG1 3.49Å; I223-T329 HydrophobicContact CG2-CG2 4.47Å |
| 224 | L | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.6 | -46.9 | 178.2 | -66.8 | -175.7 | 0 | 0 | 0 | 111.8 | A220 G221 K222 H226 A227 I228 W258 W276 L279 L326 T329 L330 L333 | A220-L224 WeakPolarHBondContact O-CG 2.98Å; A220-L224 PolarHBondContact O-N 3.03Å; G221-L224 PolarHBondContact O-N 2.91Å; K222-L224 VanDerWaalsContact C-N 3.34Å; K222-L224 PolarHBondContact O-N 3.23Å; L224-H226 PolarHBondContact O-N 3.13Å; L224-A227 PolarHBondContact O-N 3.02Å; L224-I228 VanDerWaalsContact O-CG1 3.28Å; L224-I228 WeakPolarHBondContact O-CG1 3.13Å; L224-I228 PolarHBondContact O-N 3.28Å; L224-W258 HydrophobicContact CD2-CH2 3.95Å; L224-W258 HydrophobicContact CD2-CZ3 3.98Å; L224-W276 HydrophobicContact CB-CH2 4.41Å; L224-W276 HydrophobicContact CD1-CE3 4.47Å; L224-W276 HydrophobicContact CD1-CH2 3.7Å; L224-W276 HydrophobicContact CD1-CZ3 3.62Å; L224-L279 HydrophobicContact CD1-CD1 4.48Å; L224-L279 HydrophobicContact CD1-CD2 3.95Å; L224-L326 HydrophobicContact CD2-CD1 3.7Å; L224-T329 HydrophobicContact CD2-CG2 4.43Å; L224-T329 HydrophobicContact CG-CG2 4.41Å; L224-L330 HydrophobicContact CD2-CD2 4.02Å; L224-L330 HydrophobicContact CD2-CG 4.43Å; L224-L333 HydrophobicContact CD1-CD1 3.67Å |
| 225 | R | 94.5 | Very high | 91.9 | Very high | 9 Ų | 9 | 48 Ų | 48 | 3% | 0.034 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.3 | -48.7 | 176.2 | -179.8 | -177.2 | 170.6 | -91.3 | -1.8 | 111.2 | G221 K222 A227 I228 L229 I236 F303 D306 L312 | G221-R225 WeakPolarHBondContact O-CB 3.42Å; G221-R225 PolarHBondContact O-N 2.66Å; K222-R225 PolarHBondContact O-N 2.81Å; R225-A227 VanDerWaalsContact C-N 3.34Å; R225-A227 PolarHBondContact O-N 3.37Å; R225-I228 PolarHBondContact O-N 3.19Å; R225-L229 HydrophobicContact CG-CD1 4.18Å; R225-L229 WeakPolarHBondContact O-CG 3.19Å; R225-L229 PolarHBondContact O-N 2.64Å; R225-I236 HydrophobicContact CG-CD1 4.12Å; R225-F303 HydrophobicContact CB-CD1 4.11Å; R225-F303 HydrophobicContact CB-CD2 4.22Å; R225-F303 HydrophobicContact CB-CE1 4.25Å; R225-F303 HydrophobicContact CB-CE2 4.37Å; R225-F303 HydrophobicContact CB-CG 4.1Å; R225-F303 HydrophobicContact CB-CZ 4.38Å; R225-F303 HydrophobicContact CG-CB 4.5Å; R225-F303 HydrophobicContact CG-CD2 4.2Å; R225-F303 HydrophobicContact CG-CG 4.24Å; R225-D306 IonicContact CZ-OD1 3.69Å; R225-D306 IonicContact NE-OD1 3.41Å; R225-D306 PolarHBondContact NE-OD1 3.26Å; R225-D306 IonicContact NE-OD2 3.26Å; R225-D306 PolarHBondContact NE-OD2 2.78Å; R225-D306 VanDerWaalsContact NE-OD2 3.08Å; R225-D306 IonicContact NH2-OD1 3.29Å; R225-D306 PolarHBondContact NH2-OD1 3.41Å; R225-L312 PolarHBondContact NH2-O 2.78Å |
| 226 | H | 93.9 | Very high | 92.3 | Very high | 17 Ų | 17 | 40.2 Ų | 40.2 | 8% | 0.079 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.5 | -39.7 | -179.9 | -67.9 | -173 | 0 | 0 | 0 | 111.9 | K222 I223 L224 S230 P314 E318 | K222-H226 WeakPolarHBondContact O-CB 3.28Å; K222-H226 PolarHBondContact O-CD2 3.5Å; K222-H226 VanDerWaalsContact O-CD2 3.25Å; K222-H226 PolarHBondContact O-N 3.38Å; I223-H226 PolarHBondContact O-N 2.79Å; L224-H226 PolarHBondContact O-N 3.13Å; H226-S230 VanDerWaalsContact O-CB 3.31Å; H226-S230 WeakPolarHBondContact O-CB 3.09Å; H226-S230 PolarHBondContact O-N 3.03Å; H226-S230 PolarHBondContact O-OG 3.34Å; H226-P314 HydrophobicContact CB-CB 4.36Å; H226-P314 HydrophobicContact CB-CG 4.12Å; H226-P314 VanDerWaalsContact CD2-CG 3.5Å; H226-P314 WeakPolarHBondContact CD2-CG 3.44Å; H226-E318 IonicContact CE1-OE1 3.85Å |
| 227 | A | 91.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.3 | -40.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I223 L224 R225 S230 R231 W258 L326 | I223-A227 VanDerWaalsContact O-CB 3.29Å; I223-A227 WeakPolarHBondContact O-CB 3.46Å; I223-A227 PolarHBondContact O-N 3.18Å; L224-A227 PolarHBondContact O-N 3.02Å; R225-A227 VanDerWaalsContact C-N 3.34Å; R225-A227 PolarHBondContact O-N 3.37Å; A227-S230 PolarHBondContact O-N 2.99Å; A227-R231 WeakPolarHBondContact O-CB 3.49Å; A227-R231 WeakPolarHBondContact O-CG 3.25Å; A227-R231 PolarHBondContact O-N 2.91Å; A227-W258 HydrophobicContact CB-CH2 4.18Å; A227-W258 HydrophobicContact CB-CZ2 3.93Å; A227-L326 HydrophobicContact CB-CD1 3.99Å; A227-L326 HydrophobicContact CB-CD2 4.13Å |
| 228 | I | 93.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.9 | -51.2 | 175.2 | -68.8 | 165.6 | 0 | 0 | 0 | 110.2 | L224 R225 S230 R231 V232 M235 I236 L255 W258 W276 F303 | L224-I228 VanDerWaalsContact O-CG1 3.28Å; L224-I228 WeakPolarHBondContact O-CG1 3.13Å; L224-I228 PolarHBondContact O-N 3.28Å; R225-I228 PolarHBondContact O-N 3.19Å; I228-S230 PolarHBondContact O-N 3.29Å; I228-R231 PolarHBondContact O-N 3.01Å; I228-V232 CarbonylContact O-C 3.58Å; I228-V232 WeakPolarHBondContact O-CA 3.43Å; I228-V232 PolarHBondContact O-N 3.45Å; I228-M235 HydrophobicContact CG2-CB 3.78Å; I228-M235 HydrophobicContact CG2-SD 4.21Å; I228-I236 HydrophobicContact CB-CD1 4.18Å; I228-I236 HydrophobicContact CG2-CD1 3.73Å; I228-I236 HydrophobicContact CG2-CG1 4Å; I228-L255 HydrophobicContact CD1-CD2 3.87Å; I228-W258 HydrophobicContact CD1-CE3 4.44Å; I228-W258 HydrophobicContact CD1-CZ3 4.48Å; I228-W258 HydrophobicContact CG1-CD2 3.94Å; I228-W258 HydrophobicContact CG1-CE3 4.24Å; I228-W258 HydrophobicContact CG1-CH2 3.99Å; I228-W258 HydrophobicContact CG1-CZ2 3.65Å; I228-W258 HydrophobicContact CG1-CZ3 4.27Å; I228-W276 HydrophobicContact CD1-CH2 4.4Å; I228-F303 HydrophobicContact CD1-CE2 4.06Å; I228-F303 HydrophobicContact CD1-CZ 4.03Å |
| 229 | L | 91.6 | Very high | 92.6 | Very high | 41 Ų | 41 | 39 Ų | 39 | 22% | 0.215 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.2 | -31 | 178.5 | -71 | 175.5 | 0 | 0 | 0 | 112.8 | R225 P233 I236 P314 | R225-L229 HydrophobicContact CG-CD1 4.18Å; R225-L229 WeakPolarHBondContact O-CG 3.19Å; R225-L229 PolarHBondContact O-N 2.64Å; L229-P233 WeakPolarHBondContact O-CG 3.47Å; L229-I236 HydrophobicContact CD2-CB 4.09Å; L229-I236 HydrophobicContact CD2-CD1 3.76Å; L229-I236 HydrophobicContact CD2-CG1 4.49Å; L229-I236 HydrophobicContact CD2-CG2 4.45Å; L229-I236 HydrophobicContact CG-CD1 3.82Å; L229-P314 HydrophobicContact CB-CG 4.45Å; L229-P314 HydrophobicContact CD1-CG 3.93Å |
| 230 | S | 88.9 | Confident | 92.5 | Very high | 40 Ų | 40 | 43.1 Ų | 43.1 | 28% | 0.28 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -80.9 | -40.5 | 179.7 | -59 | 0 | 0 | 0 | 0 | 113.5 | H226 A227 I228 R319 | H226-S230 VanDerWaalsContact O-CB 3.31Å; H226-S230 WeakPolarHBondContact O-CB 3.09Å; H226-S230 PolarHBondContact O-N 3.03Å; H226-S230 PolarHBondContact O-OG 3.34Å; A227-S230 PolarHBondContact O-N 2.99Å; I228-S230 PolarHBondContact O-N 3.29Å; S230-R319 WeakPolarHBondContact OG-CG 3.21Å |
| 231 | R | 87.9 | Confident | 92.4 | Very high | 98 Ų | 98 | 48.4 Ų | 48.4 | 37% | 0.37 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -96.2 | -36.6 | -172.6 | -63.6 | -177.5 | -176.6 | -179.2 | 6.9 | 112.8 | A227 I228 L326 | A227-R231 WeakPolarHBondContact O-CB 3.49Å; A227-R231 WeakPolarHBondContact O-CG 3.25Å; A227-R231 PolarHBondContact O-N 2.91Å; I228-R231 PolarHBondContact O-N 3.01Å; R231-L326 VanDerWaalsContact NH1-CD2 3.34Å |
| 232 | V | 91.1 | Very high | 92 | Very high | 32 Ų | 32 | 55.4 Ų | 55.4 | 19% | 0.194 | 26% | 0.257 | C | S | . | . | trans | -143.5 | 65.2 | -170.7 | -160.9 | 0 | 0 | 0 | 0 | 110.8 | I228 H234 M235 | I228-V232 CarbonylContact O-C 3.58Å; I228-V232 WeakPolarHBondContact O-CA 3.43Å; I228-V232 PolarHBondContact O-N 3.45Å; V232-H234 WeakPolarHBondContact CG1-CE1 3.47Å; V232-H234 PolarHBondContact O-N 2.89Å; V232-M235 HydrophobicContact CB-CG 4.25Å; V232-M235 HydrophobicContact CB-SD 3.87Å; V232-M235 HydrophobicContact CG1-CG 3.72Å; V232-M235 HydrophobicContact CG1-SD 3.72Å; V232-M235 PolarHBondContact O-N 3.13Å | ||
| 233 | P | 89.6 | Confident | 91.8 | Very high | 76 Ų | 76 | 60.4 Ų | 60.4 | 49% | 0.494 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -59 | -27.9 | -170.1 | -15.8 | 21.7 | 0 | 0 | 0 | 114.5 | L229 M235 I236 | L229-P233 WeakPolarHBondContact O-CG 3.47Å; P233-M235 PolarHBondContact O-N 3.19Å; P233-M235 VanDerWaalsContact O-N 3.17Å; P233-I236 PolarHBondContact O-N 3.37Å |
| 234 | H | 91.4 | Very high | 91.7 | Very high | 127 Ų | 127 | 66.5 Ų | 66.5 | 59% | 0.588 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -69.2 | -10.2 | -176.7 | 65.4 | -97.1 | 0 | 0 | 0 | 114.6 | V232 R237 | V232-H234 WeakPolarHBondContact CG1-CE1 3.47Å; V232-H234 PolarHBondContact O-N 2.89Å; H234-R237 WeakPolarHBondContact O-CD 3.45Å; H234-R237 WeakPolarHBondContact O-CG 3.12Å; H234-R237 PolarHBondContact O-NE 2.84Å |
| 235 | M | 93.8 | Very high | 91.5 | Very high | 7 Ų | 7 | 70 Ų | 70 | 3% | 0.034 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -71.6 | -37.5 | 176.8 | -74.1 | 179.1 | 63.6 | 0 | 0 | 112.2 | I228 V232 P233 R239 C249 E254 L255 W258 | I228-M235 HydrophobicContact CG2-CB 3.78Å; I228-M235 HydrophobicContact CG2-SD 4.21Å; V232-M235 HydrophobicContact CB-CG 4.25Å; V232-M235 HydrophobicContact CB-SD 3.87Å; V232-M235 HydrophobicContact CG1-CG 3.72Å; V232-M235 HydrophobicContact CG1-SD 3.72Å; V232-M235 PolarHBondContact O-N 3.13Å; P233-M235 PolarHBondContact O-N 3.19Å; P233-M235 VanDerWaalsContact O-N 3.17Å; M235-R239 PolarHBondContact O-NH2 2.95Å; M235-C249 VanDerWaalsContact O-O 3.14Å; M235-E254 HydrophobicContact CE-CB 4.16Å; M235-E254 VanDerWaalsContact CE-O 3.29Å; M235-E254 WeakPolarHBondContact CE-O 3.35Å; M235-L255 HydrophobicContact CE-CD2 3.98Å; M235-W258 HydrophobicContact CE-CB 3.58Å; M235-W258 HydrophobicContact CE-CG 3.99Å; M235-W258 HydrophobicContact SD-CB 3.81Å; M235-W258 HydrophobicContact SD-CG 3.87Å |
| 236 | I | 94.1 | Very high | 91.4 | Very high | 8 Ų | 8 | 71.1 Ų | 71.1 | 4% | 0.041 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -98.2 | 106.3 | 176.1 | -62.3 | 162.1 | 0 | 0 | 0 | 107.6 | R225 I228 L229 P233 Q248 C250 F303 | R225-I236 HydrophobicContact CG-CD1 4.12Å; I228-I236 HydrophobicContact CB-CD1 4.18Å; I228-I236 HydrophobicContact CG2-CD1 3.73Å; I228-I236 HydrophobicContact CG2-CG1 4Å; L229-I236 HydrophobicContact CD2-CB 4.09Å; L229-I236 HydrophobicContact CD2-CD1 3.76Å; L229-I236 HydrophobicContact CD2-CG1 4.49Å; L229-I236 HydrophobicContact CD2-CG2 4.45Å; L229-I236 HydrophobicContact CG-CD1 3.82Å; P233-I236 PolarHBondContact O-N 3.37Å; I236-Q248 HydrophobicContact CG2-CB 4.26Å; I236-C250 WeakPolarHBondContact CG1-SG 3.47Å; I236-F303 HydrophobicContact CD1-CD2 4.33Å; I236-F303 HydrophobicContact CD1-CE2 4.35Å |
| 237 | R | 93.1 | Very high | 91.3 | Very high | 113 Ų | 113 | 75.9 Ų | 75.9 | 43% | 0.426 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.2 | 170 | -179.4 | 61.5 | -179.4 | 176.1 | 96.6 | -2.9 | 112 | H234 R239 C249 | H234-R237 WeakPolarHBondContact O-CD 3.45Å; H234-R237 WeakPolarHBondContact O-CG 3.12Å; H234-R237 PolarHBondContact O-NE 2.84Å; R237-R239 HydrophobicContact CG-CG 4.38Å; R237-C249 PolarHBondContact N-O 3.03Å; R237-C249 PolarHBondContact O-N 3.45Å |
| 238 | D | 93 | Very high | 91.2 | Very high | 70 Ų | 70 | 79.4 Ų | 79.4 | 37% | 0.374 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 133.9 | 171.2 | -65.8 | -0.5 | 0 | 0 | 0 | 111 | T245 Y246 R247 Q248 | D238-T245 HydrophobicContact CB-CG2 4.21Å; D238-Y246 CarbonylContact C-O 3.57Å; D238-Y246 WeakPolarHBondContact CA-O 3.32Å; D238-R247 WeakPolarHBondContact OD1-CA 3.21Å; D238-Q248 PolarHBondContact OD1-N 2.97Å |
| 239 | R | 93.8 | Very high | 91.2 | Very high | 6 Ų | 6 | 79.4 Ų | 79.4 | 2% | 0.023 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 135.8 | 179.3 | -59.7 | -175.7 | -175.4 | -111.3 | 0 | 110.1 | M235 R237 T245 Y246 C249 V251 E254 F300 | M235-R239 PolarHBondContact O-NH2 2.95Å; R237-R239 HydrophobicContact CG-CG 4.38Å; R239-T245 CarbonylContact O-C 3.14Å; R239-T245 WeakPolarHBondContact O-CA 3.39Å; R239-Y246 PolarHBondContact N-O 2.85Å; R239-Y246 PolarHBondContact O-N 3.44Å; R239-C249 PolarHBondContact NE-O 3.28Å; R239-C249 VanDerWaalsContact NE-O 3.1Å; R239-V251 VanDerWaalsContact CZ-CG2 3.47Å; R239-E254 IonicContact CZ-OE1 2.67Å; R239-E254 IonicContact CZ-OE2 3.83Å; R239-E254 IonicContact NH1-OE1 3.78Å; R239-E254 PolarHBondContact NH1-OE1 2.9Å; R239-E254 IonicContact NH1-OE2 2.78Å; R239-E254 IonicContact NH2-OE1 2.76Å; R239-E254 PolarHBondContact NH2-OE1 2.79Å; R239-E254 IonicContact NH2-OE2 3.74Å; R239-E254 PolarHBondContact NH2-OE2 3.24Å; R239-F300 HydrophobicContact CB-CE1 4.21Å; R239-F300 HydrophobicContact CB-CZ 4.19Å |
| 240 | K | 91.3 | Very high | 91.4 | Very high | 171 Ų | 171 | 77.5 Ų | 77.5 | 74% | 0.743 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 127.8 | 177.6 | -67.7 | -175.9 | 180 | 179.3 | 0 | 110 | K244 T245 | K240-K244 WeakPolarHBondContact CA-O 3.23Å; K240-T245 HydrophobicContact CG-CG2 4.34Å |
| 241 | Y | 90.4 | Very high | 91.8 | Very high | 114 Ų | 114 | 75.6 Ų | 75.6 | 45% | 0.447 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 130.6 | 176.8 | -171.3 | -109.9 | 0 | 0 | 0 | 109.7 | L243 K244 F300 | Y241-L243 VanDerWaalsContact C-N 3.27Å; Y241-L243 PolarHBondContact O-N 2.89Å; Y241-K244 PolarHBondContact N-O 2.83Å; Y241-K244 PolarHBondContact O-N 2.91Å; Y241-F300 HydrophobicContact CD1-CE2 4.48Å; Y241-F300 HydrophobicContact CG-CE2 4.11Å; Y241-F300 HydrophobicContact CG-CZ 4.32Å |
| 242 | H | 86.4 | Confident | 92.2 | Very high | 149 Ų | 149 | 70.9 Ų | 70.9 | 69% | 0.69 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.1 | 49.2 | -173 | -68 | -60.6 | 0 | 0 | 0 | 114.3 | K244 | H242-K244 PolarHBondContact O-N 2.83Š|
| 243 | L | 89.1 | Confident | 92.5 | Very high | 184 Ų | 184 | 71.3 Ų | 71.3 | 96% | 0.963 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | -1 | -179.8 | -53.9 | 168.9 | 0 | 0 | 0 | 115.6 | Y241 | Y241-L243 VanDerWaalsContact C-N 3.27Å; Y241-L243 PolarHBondContact O-N 2.89Å |
| 244 | K | 91.7 | Very high | 92.8 | Very high | 135 Ų | 135 | 70 Ų | 70 | 59% | 0.587 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 138 | 169.2 | -67.9 | -176.3 | 178.7 | -180 | 0 | 110.1 | K240 Y241 H242 Y246 | K240-K244 WeakPolarHBondContact CA-O 3.23Å; Y241-K244 PolarHBondContact N-O 2.83Å; Y241-K244 PolarHBondContact O-N 2.91Å; H242-K244 PolarHBondContact O-N 2.83Å; K244-Y246 HydrophobicContact CB-CD2 4.49Å; K244-Y246 HydrophobicContact CB-CE2 3.9Å |
| 245 | T | 90.4 | Very high | 93 | Very high | 74 Ų | 74 | 64 Ų | 64 | 45% | 0.454 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 117.4 | 171.7 | -54.2 | 0 | 0 | 0 | 0 | 108.7 | D238 R239 K240 | D238-T245 HydrophobicContact CB-CG2 4.21Å; R239-T245 CarbonylContact O-C 3.14Å; R239-T245 WeakPolarHBondContact O-CA 3.39Å; K240-T245 HydrophobicContact CG-CG2 4.34Å |
| 246 | Y | 91.8 | Very high | 93.2 | Very high | 31 Ų | 31 | 63.6 Ų | 63.6 | 12% | 0.122 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 112.8 | 171.6 | -63.9 | -93.2 | 0 | 0 | 0 | 107.8 | D238 R239 K244 V288 F300 | D238-Y246 CarbonylContact C-O 3.57Å; D238-Y246 WeakPolarHBondContact CA-O 3.32Å; R239-Y246 PolarHBondContact N-O 2.85Å; R239-Y246 PolarHBondContact O-N 3.44Å; K244-Y246 HydrophobicContact CB-CD2 4.49Å; K244-Y246 HydrophobicContact CB-CE2 3.9Å; Y246-V288 HydrophobicContact CD1-CB 3.7Å; Y246-V288 HydrophobicContact CD1-CG1 4Å; Y246-V288 HydrophobicContact CD1-CG2 3.53Å; Y246-V288 HydrophobicContact CE1-CB 3.93Å; Y246-V288 HydrophobicContact CE1-CG2 3.44Å; Y246-V288 VanDerWaalsContact CE1-CG2 3.44Å; Y246-F300 HydrophobicContact CD1-CD2 4.21Å; Y246-F300 AromaticContact CD2-CD2 3.71Å; Y246-F300 HydrophobicContact CD2-CD2 3.71Å; Y246-F300 AromaticContact CD2-CE2 3.73Å; Y246-F300 HydrophobicContact CD2-CE2 3.73Å; Y246-F300 HydrophobicContact CE2-CD2 4.13Å; Y246-F300 HydrophobicContact CE2-CE2 4.06Å; Y246-F300 AromaticContact CG-CD2 3.75Å; Y246-F300 HydrophobicContact CG-CD2 3.75Å; Y246-F300 HydrophobicContact CG-CE2 4.23Å |
| 247 | R | 91.5 | Very high | 93.2 | Very high | 117 Ų | 117 | 67.1 Ų | 67.1 | 44% | 0.442 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 144.6 | -176 | -66.4 | 179.8 | 69.1 | 166.3 | -6.8 | 112.1 | D238 C249 R302 E309 | D238-R247 WeakPolarHBondContact OD1-CA 3.21Å; R247-C249 VanDerWaalsContact C-N 3.31Å; R247-C249 PolarHBondContact O-N 3.13Å; R247-R302 PolarHBondContact O-NE 2.75Å; R247-R302 VanDerWaalsContact O-NE 3.1Å; R247-R302 PolarHBondContact O-NH2 3.34Å; R247-E309 IonicContact CZ-OE1 2.74Å; R247-E309 IonicContact NH1-OE1 2.87Å; R247-E309 PolarHBondContact NH1-OE1 3.19Å; R247-E309 IonicContact NH2-OE1 2.76Å |
| 248 | Q | 90.3 | Very high | 93.3 | Very high | 74 Ų | 74 | 62.1 Ų | 62.1 | 35% | 0.346 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 40.6 | 53.4 | 171.4 | -60.9 | -62.1 | -28.5 | 0 | 0 | 113.4 | I236 D238 D306 | I236-Q248 HydrophobicContact CG2-CB 4.26Å; D238-Q248 PolarHBondContact OD1-N 2.97Å; Q248-D306 HydrophobicContact CB-CB 4.13Å |
| 249 | C | 93.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 152.5 | -176.2 | 66 | 0 | 0 | 0 | 0 | 113 | M235 R237 R239 R247 V288 F300 Y301 | M235-C249 VanDerWaalsContact O-O 3.14Å; R237-C249 PolarHBondContact N-O 3.03Å; R237-C249 PolarHBondContact O-N 3.45Å; R239-C249 PolarHBondContact NE-O 3.28Å; R239-C249 VanDerWaalsContact NE-O 3.1Å; R247-C249 VanDerWaalsContact C-N 3.31Å; R247-C249 PolarHBondContact O-N 3.13Å; C249-V288 HydrophobicContact CB-CG1 4.38Å; C249-F300 HydrophobicContact CB-CB 4.2Å; C249-Y301 CarbonylContact C-O 3.52Å; C249-Y301 VanDerWaalsContact CA-O 3.29Å; C249-Y301 WeakPolarHBondContact CA-O 3.36Å; C249-Y301 WeakPolarHBondContact CB-O 3.44Å |
| 250 | C | 96.2 | Very high | 93.1 | Very high | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.007 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 163.5 | 173.5 | -60.8 | 0 | 0 | 0 | 0 | 110.8 | I236 L255 F300 Y301 | I236-C250 WeakPolarHBondContact CG1-SG 3.47Å; C250-L255 HydrophobicContact CB-CD1 3.78Å; C250-L255 HydrophobicContact CB-CD2 3.87Å; C250-L255 HydrophobicContact CB-CG 3.8Å; C250-F300 CarbonylContact O-C 3.49Å; C250-F300 VanDerWaalsContact O-CA 3.26Å; C250-F300 WeakPolarHBondContact O-CA 3.46Å; C250-Y301 PolarHBondContact N-O 2.72Å; C250-Y301 PolarHBondContact O-N 3.32Å |
| 251 | V | 97.3 | Very high | 93 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 137.6 | 170.2 | 174.1 | 0 | 0 | 0 | 0 | 109.9 | R239 T253 E254 L255 Y298 L299 F300 | R239-V251 VanDerWaalsContact CZ-CG2 3.47Å; V251-T253 WeakPolarHBondContact CG1-OG1 3.41Å; V251-T253 PolarHBondContact O-N 3.24Å; V251-E254 HydrophobicContact CB-CB 4.2Å; V251-E254 HydrophobicContact CB-CG 3.93Å; V251-E254 HydrophobicContact CG1-CG 4.38Å; V251-E254 PolarHBondContact O-N 2.92Å; V251-E254 VanDerWaalsContact O-N 3.07Å; V251-L255 PolarHBondContact O-N 2.79Å; V251-Y298 HydrophobicContact CG1-CD2 3.72Å; V251-Y298 HydrophobicContact CG1-CE2 4.18Å; V251-Y298 HydrophobicContact CG1-CG 4.34Å; V251-Y298 HydrophobicContact CG2-CD2 4.34Å; V251-Y298 HydrophobicContact CG2-CE2 4.02Å; V251-L299 VanDerWaalsContact CA-O 3.32Å; V251-L299 WeakPolarHBondContact CA-O 3.43Å; V251-F300 HydrophobicContact CG2-CD1 3.82Å; V251-F300 HydrophobicContact CG2-CE1 3.86Å |
| 252 | G | 96.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -50.7 | -50 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | E254 L255 V256 L299 | G252-E254 PolarHBondContact O-N 3.16Å; G252-L255 PolarHBondContact O-N 3.13Å; G252-V256 WeakPolarHBondContact O-CG2 3.39Å; G252-V256 PolarHBondContact O-N 2.59Å; G252-V256 VanDerWaalsContact O-N 3.14Å; G252-L299 PolarHBondContact N-O 3.18Å |
| 253 | T | 96.6 | Very high | 92.4 | Very high | 40 Ų | 40 | 49.6 Ų | 49.6 | 25% | 0.245 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.8 | -39.5 | 177.2 | 53.8 | 0 | 0 | 0 | 0 | 113.3 | V251 V256 D257 D296 K297 | V251-T253 WeakPolarHBondContact CG1-OG1 3.41Å; V251-T253 PolarHBondContact O-N 3.24Å; T253-V256 PolarHBondContact O-N 3.45Å; T253-D257 PolarHBondContact O-N 2.94Å; T253-D296 WeakPolarHBondContact CA-OD1 3.38Å; T253-D296 WeakPolarHBondContact CG2-OD1 3.43Å; T253-K297 PolarHBondContact N-O 2.82Å |
| 254 | E | 96.8 | Very high | 91.7 | Very high | 49 Ų | 49 | 44.2 Ų | 44.2 | 23% | 0.229 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.2 | -37.4 | 179.5 | -66.1 | 177.2 | -161 | 0 | 0 | 111.3 | M235 R239 V251 G252 D257 W258 | M235-E254 HydrophobicContact CE-CB 4.16Å; M235-E254 VanDerWaalsContact CE-O 3.29Å; M235-E254 WeakPolarHBondContact CE-O 3.35Å; R239-E254 IonicContact CZ-OE1 2.67Å; R239-E254 IonicContact CZ-OE2 3.83Å; R239-E254 IonicContact NH1-OE1 3.78Å; R239-E254 PolarHBondContact NH1-OE1 2.9Å; R239-E254 IonicContact NH1-OE2 2.78Å; R239-E254 IonicContact NH2-OE1 2.76Å; R239-E254 PolarHBondContact NH2-OE1 2.79Å; R239-E254 IonicContact NH2-OE2 3.74Å; R239-E254 PolarHBondContact NH2-OE2 3.24Å; V251-E254 HydrophobicContact CB-CB 4.2Å; V251-E254 HydrophobicContact CB-CG 3.93Å; V251-E254 HydrophobicContact CG1-CG 4.38Å; V251-E254 PolarHBondContact O-N 2.92Å; V251-E254 VanDerWaalsContact O-N 3.07Å; G252-E254 PolarHBondContact O-N 3.16Å; E254-D257 PolarHBondContact O-N 3.18Å; E254-W258 WeakPolarHBondContact O-CB 3.4Å; E254-W258 PolarHBondContact O-N 3.28Å |
| 255 | L | 96.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.8 | -42 | 175.4 | -71.8 | 174.2 | 0 | 0 | 0 | 112 | I228 M235 C250 V251 G252 Q259 W276 L285 F294 | I228-L255 HydrophobicContact CD1-CD2 3.87Å; M235-L255 HydrophobicContact CE-CD2 3.98Å; C250-L255 HydrophobicContact CB-CD1 3.78Å; C250-L255 HydrophobicContact CB-CD2 3.87Å; C250-L255 HydrophobicContact CB-CG 3.8Å; V251-L255 PolarHBondContact O-N 2.79Å; G252-L255 PolarHBondContact O-N 3.13Å; L255-Q259 WeakPolarHBondContact O-CB 3.35Å; L255-Q259 PolarHBondContact O-N 3.39Å; L255-W276 HydrophobicContact CB-CD2 4.42Å; L255-W276 HydrophobicContact CB-CZ2 3.95Å; L255-W276 HydrophobicContact CD2-CH2 3.98Å; L255-W276 HydrophobicContact CD2-CZ2 4.01Å; L255-W276 HydrophobicContact CG-CZ2 4.49Å; L255-W276 PolarHBondContact O-NE1 3.28Å; L255-L285 HydrophobicContact CD1-CD2 4.15Å; L255-F294 HydrophobicContact CB-CZ 4.37Å; L255-F294 HydrophobicContact CD1-CE2 4.05Å; L255-F294 HydrophobicContact CD1-CZ 4.35Å |
| 256 | V | 96.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.1 | -48.1 | 175.5 | 169.7 | 0 | 0 | 0 | 0 | 110.8 | G252 T253 W258 Q259 M260 R269 A272 V273 F294 D296 | G252-V256 WeakPolarHBondContact O-CG2 3.39Å; G252-V256 PolarHBondContact O-N 2.59Å; G252-V256 VanDerWaalsContact O-N 3.14Å; T253-V256 PolarHBondContact O-N 3.45Å; V256-W258 VanDerWaalsContact C-N 3.34Å; V256-W258 PolarHBondContact O-N 3.32Å; V256-Q259 PolarHBondContact O-N 2.84Å; V256-M260 HydrophobicContact CG1-SD 4.26Å; V256-M260 WeakPolarHBondContact O-CG 3.37Å; V256-M260 PolarHBondContact O-N 2.62Å; V256-R269 HydrophobicContact CG1-CB 4Å; V256-R269 HydrophobicContact CG1-CG 4.12Å; V256-A272 HydrophobicContact CB-CB 4.43Å; V256-A272 HydrophobicContact CG1-CB 3.92Å; V256-A272 HydrophobicContact CG2-CB 4.28Å; V256-V273 HydrophobicContact CG2-CG2 4.34Å; V256-F294 HydrophobicContact CG2-CE1 3.9Å; V256-F294 HydrophobicContact CG2-CZ 4.32Å; V256-D296 HydrophobicContact CG2-CB 4.23Å |
| 257 | D | 94.4 | Very high | 90.2 | Very high | 81 Ų | 81 | 35.5 Ų | 35.5 | 43% | 0.433 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.3 | -45.5 | 178.8 | -69.5 | -20.6 | 0 | 0 | 0 | 111.7 | T253 E254 M260 L261 R269 | T253-D257 PolarHBondContact O-N 2.94Å; E254-D257 PolarHBondContact O-N 3.18Å; D257-M260 PolarHBondContact O-N 3.03Å; D257-L261 PolarHBondContact O-N 2.8Å; D257-L261 VanDerWaalsContact O-N 3.14Å; D257-R269 IonicContact OD1-CZ 2.75Å; D257-R269 IonicContact OD1-NH1 3.96Å; D257-R269 PolarHBondContact OD1-NH1 3.36Å; D257-R269 IonicContact OD1-NH2 3.47Å; D257-R269 PolarHBondContact OD1-NH2 3.1Å |
| 258 | W | 94.6 | Very high | 90.1 | Very high | 9 Ų | 9 | 32 Ų | 32 | 3% | 0.034 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.6 | -48 | 177.9 | 177.4 | 90.1 | 0 | 0 | 0 | 111.6 | L224 A227 I228 M235 E254 V256 M260 L261 Q262 W276 L326 | L224-W258 HydrophobicContact CD2-CH2 3.95Å; L224-W258 HydrophobicContact CD2-CZ3 3.98Å; A227-W258 HydrophobicContact CB-CH2 4.18Å; A227-W258 HydrophobicContact CB-CZ2 3.93Å; I228-W258 HydrophobicContact CD1-CE3 4.44Å; I228-W258 HydrophobicContact CD1-CZ3 4.48Å; I228-W258 HydrophobicContact CG1-CD2 3.94Å; I228-W258 HydrophobicContact CG1-CE3 4.24Å; I228-W258 HydrophobicContact CG1-CH2 3.99Å; I228-W258 HydrophobicContact CG1-CZ2 3.65Å; I228-W258 HydrophobicContact CG1-CZ3 4.27Å; M235-W258 HydrophobicContact CE-CB 3.58Å; M235-W258 HydrophobicContact CE-CG 3.99Å; M235-W258 HydrophobicContact SD-CB 3.81Å; M235-W258 HydrophobicContact SD-CG 3.87Å; E254-W258 WeakPolarHBondContact O-CB 3.4Å; E254-W258 PolarHBondContact O-N 3.28Å; V256-W258 VanDerWaalsContact C-N 3.34Å; V256-W258 PolarHBondContact O-N 3.32Å; W258-M260 PolarHBondContact O-N 3.19Å; W258-L261 WeakPolarHBondContact O-CB 3.44Å; W258-L261 PolarHBondContact O-N 3.04Å; W258-L261 VanDerWaalsContact O-N 3.11Å; W258-Q262 HydrophobicContact CD2-CG 3.73Å; W258-Q262 VanDerWaalsContact CE2-CG 3.43Å; W258-Q262 HydrophobicContact CE3-CG 4.13Å; W258-Q262 HydrophobicContact CG-CG 4.3Å; W258-Q262 HydrophobicContact CH2-CG 4Å; W258-Q262 HydrophobicContact CZ2-CG 3.59Å; W258-Q262 HydrophobicContact CZ3-CG 4.24Å; W258-Q262 VanDerWaalsContact O-CG 3.3Å; W258-Q262 WeakPolarHBondContact O-CG 3.46Å; W258-Q262 PolarHBondContact O-N 2.82Å; W258-W276 HydrophobicContact CE3-CZ2 4.17Å; W258-W276 HydrophobicContact CZ3-CH2 4.42Å; W258-W276 HydrophobicContact CZ3-CZ2 4.31Å; W258-L326 HydrophobicContact CH2-CD1 4.1Å |
| 259 | Q | 93.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.5 | -41.6 | -177.4 | -171.4 | 176.9 | 43.2 | 0 | 0 | 112.1 | L255 V256 L261 Q262 C263 V266 A272 W276 L330 | L255-Q259 WeakPolarHBondContact O-CB 3.35Å; L255-Q259 PolarHBondContact O-N 3.39Å; V256-Q259 PolarHBondContact O-N 2.84Å; Q259-L261 VanDerWaalsContact C-N 3.26Å; Q259-L261 PolarHBondContact O-N 2.9Å; Q259-Q262 PolarHBondContact O-N 3.47Å; Q259-C263 PolarHBondContact O-N 2.92Å; Q259-C263 VanDerWaalsContact O-N 3.09Å; Q259-V266 HydrophobicContact CG-CG2 4.39Å; Q259-A272 PolarHBondContact OE1-O 3.42Å; Q259-W276 HydrophobicContact CB-CZ2 4.31Å; Q259-W276 VanDerWaalsContact OE1-NE1 3.09Å; Q259-L330 HydrophobicContact CG-CD2 3.96Å |
| 260 | M | 90.3 | Very high | 90.1 | Very high | 67 Ų | 67 | 36.4 Ų | 36.4 | 33% | 0.33 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.1 | -31.7 | 175.2 | -71.6 | -172.5 | 69.1 | 0 | 0 | 112.6 | V256 D257 W258 V266 R269 | V256-M260 HydrophobicContact CG1-SD 4.26Å; V256-M260 WeakPolarHBondContact O-CG 3.37Å; V256-M260 PolarHBondContact O-N 2.62Å; D257-M260 PolarHBondContact O-N 3.03Å; W258-M260 PolarHBondContact O-N 3.19Å; M260-V266 HydrophobicContact CG-CG1 3.98Å; M260-R269 HydrophobicContact CE-CG 4.42Å; M260-R269 HydrophobicContact SD-CB 4.34Å; M260-R269 HydrophobicContact SD-CG 3.57Å; M260-R269 VanDerWaalsContact SD-CG 3.57Å |
| 261 | L | 89.3 | Confident | 89.8 | Confident | 142 Ų | 142 | 37.4 Ų | 37.4 | 74% | 0.743 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -76.9 | -30.4 | 175.4 | -172 | 66.5 | 0 | 0 | 0 | 112.6 | D257 W258 Q259 | D257-L261 PolarHBondContact O-N 2.8Å; D257-L261 VanDerWaalsContact O-N 3.14Å; W258-L261 WeakPolarHBondContact O-CB 3.44Å; W258-L261 PolarHBondContact O-N 3.04Å; W258-L261 VanDerWaalsContact O-N 3.11Å; Q259-L261 VanDerWaalsContact C-N 3.26Å; Q259-L261 PolarHBondContact O-N 2.9Å |
| 262 | Q | 84.7 | Confident | 89.7 | Confident | 35 Ų | 35 | 37.4 Ų | 37.4 | 16% | 0.164 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -83.1 | -32.8 | -176.6 | -63.6 | -36 | -71.4 | 0 | 0 | 113.9 | W258 Q259 L330 | W258-Q262 HydrophobicContact CD2-CG 3.73Å; W258-Q262 VanDerWaalsContact CE2-CG 3.43Å; W258-Q262 HydrophobicContact CE3-CG 4.13Å; W258-Q262 HydrophobicContact CG-CG 4.3Å; W258-Q262 HydrophobicContact CH2-CG 4Å; W258-Q262 HydrophobicContact CZ2-CG 3.59Å; W258-Q262 HydrophobicContact CZ3-CG 4.24Å; W258-Q262 VanDerWaalsContact O-CG 3.3Å; W258-Q262 WeakPolarHBondContact O-CG 3.46Å; W258-Q262 PolarHBondContact O-N 2.82Å; Q259-Q262 PolarHBondContact O-N 3.47Å; Q262-L330 HydrophobicContact CB-CD1 4.18Å |
| 263 | C | 78.3 | Confident | 89.6 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.02 | 20% | 0.2 | C | C | . | . | trans | -116.7 | 126.5 | -178.3 | -152 | 0 | 0 | 0 | 0 | 113.4 | Q259 C265 V266 Q327 L330 | Q259-C263 PolarHBondContact O-N 2.92Å; Q259-C263 VanDerWaalsContact O-N 3.09Å; C263-C265 HydrophobicContact CB-CB 4.38Å; C263-C265 WeakPolarHBondContact CB-SG 3.31Å; C263-C265 PolarHBondContact O-N 3.2Å; C263-C265 WeakPolarHBondContact SG-CB 3.46Å; C263-C265 PolarHBondContact SG-N 3.25Å; C263-C265 CovalentContact SG-SG 2.05Å; C263-C265 PolarHBondContact SG-SG 3.32Å; C263-V266 HydrophobicContact CB-CB 4.49Å; C263-V266 HydrophobicContact CB-CG2 3.92Å; C263-V266 PolarHBondContact O-N 2.82Å; C263-Q327 PolarHBondContact SG-NE2 2.75Å; C263-L330 HydrophobicContact CB-CB 4.35Å; C263-L330 HydrophobicContact CB-CD1 4Å | ||
| 264 | S | 74.7 | Confident | 89.5 | Confident | 70 Ų | 70 | 35.9 Ų | 35.9 | 49% | 0.49 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -14.3 | 165.6 | 55.4 | 0 | 0 | 0 | 0 | 113.5 | V266 | S264-V266 VanDerWaalsContact C-N 3.32Š|
| 265 | C | 74.1 | Confident | 89.4 | Confident | 15 Ų | 15 | 33.6 Ų | 33.6 | 10% | 0.101 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -12.3 | 177.7 | 69 | 0 | 0 | 0 | 0 | 114.5 | C263 H267 Q271 | C263-C265 HydrophobicContact CB-CB 4.38Å; C263-C265 WeakPolarHBondContact CB-SG 3.31Å; C263-C265 PolarHBondContact O-N 3.2Å; C263-C265 WeakPolarHBondContact SG-CB 3.46Å; C263-C265 PolarHBondContact SG-N 3.25Å; C263-C265 CovalentContact SG-SG 2.05Å; C263-C265 PolarHBondContact SG-SG 3.32Å; C265-H267 PolarHBondContact O-CE1 3.44Å; C265-H267 PolarHBondContact O-ND1 3.48Å; C265-Q271 PolarHBondContact O-NE2 3.18Å; C265-Q271 VanDerWaalsContact O-NE2 3.14Å |
| 266 | V | 84.6 | Confident | 89.4 | Confident | 11 Ų | 11 | 33.6 Ų | 33.6 | 7% | 0.067 | 18% | 0.178 | C | C | . | . | trans | -101 | 114.2 | -178.7 | -178.5 | 0 | 0 | 0 | 0 | 109.2 | Q259 M260 C263 S264 Q271 A272 M275 | Q259-V266 HydrophobicContact CG-CG2 4.39Å; M260-V266 HydrophobicContact CG-CG1 3.98Å; C263-V266 HydrophobicContact CB-CB 4.49Å; C263-V266 HydrophobicContact CB-CG2 3.92Å; C263-V266 PolarHBondContact O-N 2.82Å; S264-V266 VanDerWaalsContact C-N 3.32Å; V266-Q271 HydrophobicContact CG1-CB 4.43Å; V266-A272 HydrophobicContact CG1-CB 4.08Å; V266-M275 HydrophobicContact CG2-CE 3.9Å; V266-M275 HydrophobicContact CG2-SD 3.5Å; V266-M275 WeakPolarHBondContact CG2-SD 3.21Å | ||
| 267 | H | 84.4 | Confident | 89.4 | Confident | 31 Ų | 31 | 33.6 Ų | 33.6 | 14% | 0.144 | 18% | 0.178 | C | C | . | . | trans | -102.6 | -15.9 | -167.1 | -62.4 | 86.1 | 0 | 0 | 0 | 113.5 | C265 L922 K926 | C265-H267 PolarHBondContact O-CE1 3.44Å; C265-H267 PolarHBondContact O-ND1 3.48Å; H267-L922 HydrophobicContact CB-CD1 4.36Å; H267-K926 PolarHBondContact O-NZ 3.48Å | ||
| 268 | S | 89.3 | Confident | 89.4 | Confident | 45 Ų | 45 | 30.1 Ų | 30.1 | 32% | 0.315 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -152.6 | 157.9 | -176.4 | 66.2 | 0 | 0 | 0 | 0 | 111.7 | I270 Q271 A272 | S268-I270 VanDerWaalsContact C-N 3.29Å; S268-I270 PolarHBondContact O-N 3.21Å; S268-I270 VanDerWaalsContact OG-CG2 3.31Å; S268-I270 WeakPolarHBondContact OG-CG2 3.42Å; S268-Q271 WeakPolarHBondContact O-CB 3.47Å; S268-Q271 PolarHBondContact O-N 2.86Å; S268-Q271 WeakPolarHBondContact OG-CB 3.5Å; S268-Q271 PolarHBondContact OG-N 2.8Å; S268-A272 PolarHBondContact O-N 2.92Å |
| 269 | R | 93.4 | Very high | 89.4 | Confident | 88 Ų | 88 | 29.7 Ų | 29.7 | 33% | 0.332 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -63.2 | -35.7 | 176.1 | -60.2 | -176.1 | 73.5 | 78.6 | 4.2 | 112.2 | V256 D257 M260 Q271 A272 V273 D296 | V256-R269 HydrophobicContact CG1-CB 4Å; V256-R269 HydrophobicContact CG1-CG 4.12Å; D257-R269 IonicContact OD1-CZ 2.75Å; D257-R269 IonicContact OD1-NH1 3.96Å; D257-R269 PolarHBondContact OD1-NH1 3.36Å; D257-R269 IonicContact OD1-NH2 3.47Å; D257-R269 PolarHBondContact OD1-NH2 3.1Å; M260-R269 HydrophobicContact CE-CG 4.42Å; M260-R269 HydrophobicContact SD-CB 4.34Å; M260-R269 HydrophobicContact SD-CG 3.57Å; M260-R269 VanDerWaalsContact SD-CG 3.57Å; R269-Q271 VanDerWaalsContact C-N 3.33Å; R269-Q271 PolarHBondContact O-N 3.36Å; R269-A272 WeakPolarHBondContact O-CB 3.49Å; R269-A272 PolarHBondContact O-N 3.29Å; R269-V273 WeakPolarHBondContact O-CG2 3.1Å; R269-V273 PolarHBondContact O-N 3.16Å; R269-D296 IonicContact CZ-OD1 3.62Å; R269-D296 IonicContact CZ-OD2 2.84Å; R269-D296 VanDerWaalsContact CZ-OD2 3.27Å; R269-D296 IonicContact NE-OD1 2.74Å; R269-D296 IonicContact NE-OD2 3.57Å; R269-D296 PolarHBondContact NE-OD2 3.32Å; R269-D296 VanDerWaalsContact NH2-CG 3.33Å; R269-D296 IonicContact NH2-OD1 3.96Å; R269-D296 PolarHBondContact NH2-OD1 2.87Å; R269-D296 IonicContact NH2-OD2 2.96Å; R269-D296 PolarHBondContact NH2-OD2 3.09Å; R269-D296 VanDerWaalsContact NH2-OD2 3.14Å |
| 270 | I | 90.6 | Very high | 89.5 | Confident | 77 Ų | 77 | 30.2 Ų | 30.2 | 40% | 0.395 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -67.7 | -34 | 178.8 | -165.9 | 64.7 | 0 | 0 | 0 | 112.2 | S268 A272 V273 G274 L341 I360 | S268-I270 VanDerWaalsContact C-N 3.29Å; S268-I270 PolarHBondContact O-N 3.21Å; S268-I270 VanDerWaalsContact OG-CG2 3.31Å; S268-I270 WeakPolarHBondContact OG-CG2 3.42Å; I270-A272 VanDerWaalsContact C-N 3.34Å; I270-V273 HydrophobicContact CD1-CB 4.43Å; I270-V273 WeakPolarHBondContact O-CB 3.32Å; I270-V273 PolarHBondContact O-N 3.36Å; I270-G274 PolarHBondContact O-N 3.04Å; I270-L341 HydrophobicContact CD1-CD1 4.05Å; I270-L341 HydrophobicContact CG1-CD1 4.36Å; I270-L341 HydrophobicContact CG1-CD2 3.91Å; I270-I360 HydrophobicContact CD1-CD1 4.48Å; I270-I360 HydrophobicContact CG1-CD1 3.86Å |
| 271 | Q | 90.4 | Very high | 89.4 | Confident | 22 Ų | 22 | 29.1 Ų | 29.1 | 10% | 0.103 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.5 | -43.1 | 172 | -174.1 | -175 | 1.9 | 0 | 0 | 110.7 | C265 V266 S268 R269 V273 G274 M275 | C265-Q271 PolarHBondContact O-NE2 3.18Å; C265-Q271 VanDerWaalsContact O-NE2 3.14Å; V266-Q271 HydrophobicContact CG1-CB 4.43Å; S268-Q271 WeakPolarHBondContact O-CB 3.47Å; S268-Q271 PolarHBondContact O-N 2.86Å; S268-Q271 WeakPolarHBondContact OG-CB 3.5Å; S268-Q271 PolarHBondContact OG-N 2.8Å; R269-Q271 VanDerWaalsContact C-N 3.33Å; R269-Q271 PolarHBondContact O-N 3.36Å; Q271-V273 VanDerWaalsContact C-N 3.35Å; Q271-V273 PolarHBondContact O-N 3.2Å; Q271-G274 PolarHBondContact O-N 3.31Å; Q271-M275 HydrophobicContact CG-SD 4.37Å; Q271-M275 WeakPolarHBondContact O-CG 3.48Å; Q271-M275 PolarHBondContact O-N 3.33Å |
| 272 | A | 94.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.2 | -41.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | V256 Q259 V266 S268 R269 I270 G274 M275 W276 | V256-A272 HydrophobicContact CB-CB 4.43Å; V256-A272 HydrophobicContact CG1-CB 3.92Å; V256-A272 HydrophobicContact CG2-CB 4.28Å; Q259-A272 PolarHBondContact OE1-O 3.42Å; V266-A272 HydrophobicContact CG1-CB 4.08Å; S268-A272 PolarHBondContact O-N 2.92Å; R269-A272 WeakPolarHBondContact O-CB 3.49Å; R269-A272 PolarHBondContact O-N 3.29Å; I270-A272 VanDerWaalsContact C-N 3.34Å; A272-G274 VanDerWaalsContact C-N 3.34Å; A272-G274 PolarHBondContact O-N 3.37Å; A272-M275 PolarHBondContact O-N 2.83Å; A272-W276 PolarHBondContact O-N 3.15Å |
| 273 | V | 95.6 | Very high | 89.6 | Confident | 9 Ų | 9 | 24.3 Ų | 24.3 | 6% | 0.055 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -55.7 | -48 | 173.2 | 166.9 | 0 | 0 | 0 | 0 | 111.1 | V256 R269 I270 Q271 M275 W276 Q277 F294 D296 L341 M344 | V256-V273 HydrophobicContact CG2-CG2 4.34Å; R269-V273 WeakPolarHBondContact O-CG2 3.1Å; R269-V273 PolarHBondContact O-N 3.16Å; I270-V273 HydrophobicContact CD1-CB 4.43Å; I270-V273 WeakPolarHBondContact O-CB 3.32Å; I270-V273 PolarHBondContact O-N 3.36Å; Q271-V273 VanDerWaalsContact C-N 3.35Å; Q271-V273 PolarHBondContact O-N 3.2Å; V273-M275 VanDerWaalsContact C-N 3.33Å; V273-M275 PolarHBondContact O-N 2.96Å; V273-W276 PolarHBondContact O-N 2.93Å; V273-Q277 WeakPolarHBondContact O-CB 3.21Å; V273-Q277 PolarHBondContact O-N 3.49Å; V273-F294 HydrophobicContact CB-CD1 4.37Å; V273-F294 HydrophobicContact CG1-CD1 4.19Å; V273-F294 HydrophobicContact CG2-CD1 4.28Å; V273-F294 HydrophobicContact CG2-CE1 4.32Å; V273-D296 HydrophobicContact CG2-CB 3.74Å; V273-L341 HydrophobicContact CG1-CD1 4.19Å; V273-M344 HydrophobicContact CG1-CE 4.19Å; V273-M344 HydrophobicContact CG1-SD 4.31Å |
| 274 | G | 93.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.8 | -41 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | I270 Q271 A272 Q277 V278 G337 | I270-G274 PolarHBondContact O-N 3.04Å; Q271-G274 PolarHBondContact O-N 3.31Å; A272-G274 VanDerWaalsContact C-N 3.34Å; A272-G274 PolarHBondContact O-N 3.37Å; G274-Q277 WeakPolarHBondContact O-CB 3.44Å; G274-Q277 PolarHBondContact O-N 2.93Å; G274-V278 WeakPolarHBondContact O-CG2 3.37Å; G274-V278 PolarHBondContact O-N 3.09Å; G274-G337 CarbonylContact C-O 3.55Å; G274-G337 WeakPolarHBondContact CA-O 3.43Å; G274-G337 WeakPolarHBondContact O-CA 3.48Å |
| 275 | M | 95.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.9 | -39.4 | 177.2 | -65.8 | 168.2 | 74.8 | 0 | 0 | 112.7 | V266 Q271 A272 V273 V278 L279 L330 L333 | V266-M275 HydrophobicContact CG2-CE 3.9Å; V266-M275 HydrophobicContact CG2-SD 3.5Å; V266-M275 WeakPolarHBondContact CG2-SD 3.21Å; Q271-M275 HydrophobicContact CG-SD 4.37Å; Q271-M275 WeakPolarHBondContact O-CG 3.48Å; Q271-M275 PolarHBondContact O-N 3.33Å; A272-M275 PolarHBondContact O-N 2.83Å; V273-M275 VanDerWaalsContact C-N 3.33Å; V273-M275 PolarHBondContact O-N 2.96Å; M275-V278 WeakPolarHBondContact O-CB 3.5Å; M275-L279 VanDerWaalsContact O-CD1 3.24Å; M275-L279 WeakPolarHBondContact O-CD1 3.31Å; M275-L330 HydrophobicContact CE-CD2 4.17Å; M275-L330 VanDerWaalsContact CE-O 3.25Å; M275-L330 WeakPolarHBondContact CE-O 3.32Å; M275-L333 HydrophobicContact CB-CB 4.27Å; M275-L333 HydrophobicContact CE-CB 3.8Å; M275-L333 HydrophobicContact CG-CB 4.34Å |
| 276 | W | 96.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -73.5 | -33.1 | 175.4 | -72.6 | 118.1 | 0 | 0 | 0 | 112.8 | L224 I228 L255 W258 Q259 A272 V273 V278 L279 L280 L285 F294 F303 | L224-W276 HydrophobicContact CB-CH2 4.41Å; L224-W276 HydrophobicContact CD1-CE3 4.47Å; L224-W276 HydrophobicContact CD1-CH2 3.7Å; L224-W276 HydrophobicContact CD1-CZ3 3.62Å; I228-W276 HydrophobicContact CD1-CH2 4.4Å; L255-W276 HydrophobicContact CB-CD2 4.42Å; L255-W276 HydrophobicContact CB-CZ2 3.95Å; L255-W276 HydrophobicContact CD2-CH2 3.98Å; L255-W276 HydrophobicContact CD2-CZ2 4.01Å; L255-W276 HydrophobicContact CG-CZ2 4.49Å; L255-W276 PolarHBondContact O-NE1 3.28Å; W258-W276 HydrophobicContact CE3-CZ2 4.17Å; W258-W276 HydrophobicContact CZ3-CH2 4.42Å; W258-W276 HydrophobicContact CZ3-CZ2 4.31Å; Q259-W276 HydrophobicContact CB-CZ2 4.31Å; Q259-W276 VanDerWaalsContact OE1-NE1 3.09Å; A272-W276 PolarHBondContact O-N 3.15Å; V273-W276 PolarHBondContact O-N 2.93Å; W276-V278 PolarHBondContact O-N 2.89Å; W276-L279 HydrophobicContact CE3-CD1 4.31Å; W276-L279 HydrophobicContact CE3-CD2 4.28Å; W276-L279 HydrophobicContact CZ3-CD2 4.09Å; W276-L279 PolarHBondContact O-N 3.39Å; W276-L279 VanDerWaalsContact O-N 3.08Å; W276-L280 PolarHBondContact O-N 3.29Å; W276-L285 HydrophobicContact CE3-CD2 3.85Å; W276-L285 HydrophobicContact CZ3-CD2 4.4Å; W276-F294 HydrophobicContact CB-CD1 3.76Å; W276-F294 HydrophobicContact CB-CD2 3.81Å; W276-F294 HydrophobicContact CB-CE1 3.73Å; W276-F294 HydrophobicContact CB-CE2 3.78Å; W276-F294 HydrophobicContact CB-CG 3.8Å; W276-F294 HydrophobicContact CB-CZ 3.74Å; W276-F294 AromaticContact CD1-CE1 3.95Å; W276-F294 AromaticContact CD1-CZ 3.87Å; W276-F294 HydrophobicContact CG-CE1 4.08Å; W276-F294 HydrophobicContact CG-CE2 4.14Å; W276-F294 AromaticContact CG-CZ 3.83Å; W276-F294 HydrophobicContact CG-CZ 3.83Å; W276-F303 HydrophobicContact CH2-CZ 4.35Å; W276-F303 HydrophobicContact CZ3-CE1 4.37Å; W276-F303 HydrophobicContact CZ3-CZ 4.05Å |
| 277 | Q | 95.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57 | -36.1 | 174.8 | -179.2 | 62.6 | 15.7 | 0 | 0 | 111.4 | V273 G274 L279 L280 E281 T292 F294 A340 M344 | V273-Q277 WeakPolarHBondContact O-CB 3.21Å; V273-Q277 PolarHBondContact O-N 3.49Å; G274-Q277 WeakPolarHBondContact O-CB 3.44Å; G274-Q277 PolarHBondContact O-N 2.93Å; Q277-L279 VanDerWaalsContact C-N 3.32Å; Q277-L279 PolarHBondContact O-N 3.08Å; Q277-L280 PolarHBondContact O-N 3.14Å; Q277-L280 VanDerWaalsContact O-N 3.13Å; Q277-E281 HydrophobicContact CG-CG 4.08Å; Q277-E281 PolarHBondContact NE2-OE1 3.2Å; Q277-E281 WeakPolarHBondContact O-CG 3.48Å; Q277-E281 PolarHBondContact O-N 2.94Å; Q277-T292 PolarHBondContact NE2-O 3.28Å; Q277-T292 VanDerWaalsContact NE2-O 3.11Å; Q277-F294 HydrophobicContact CB-CB 4.38Å; Q277-A340 HydrophobicContact CB-CB 4.41Å; Q277-A340 HydrophobicContact CG-CB 4.18Å; Q277-M344 HydrophobicContact CB-SD 4.46Å; Q277-M344 HydrophobicContact CG-CB 4.16Å; Q277-M344 HydrophobicContact CG-CG 4.37Å; Q277-M344 HydrophobicContact CG-SD 4.06Å |
| 278 | V | 94.4 | Very high | 93.1 | Very high | 7 Ų | 7 | 22.1 Ų | 22.1 | 4% | 0.042 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -54.8 | -47.1 | 174.6 | 172.9 | 0 | 0 | 0 | 0 | 111.9 | I217 G274 M275 W276 L280 E282 L333 I336 A340 | I217-V278 HydrophobicContact CD1-CG1 4.06Å; I217-V278 HydrophobicContact CG1-CG1 4.47Å; I217-V278 HydrophobicContact CG2-CG1 4.24Å; G274-V278 WeakPolarHBondContact O-CG2 3.37Å; G274-V278 PolarHBondContact O-N 3.09Å; M275-V278 WeakPolarHBondContact O-CB 3.5Å; W276-V278 PolarHBondContact O-N 2.89Å; V278-L280 VanDerWaalsContact C-N 3.28Å; V278-L280 PolarHBondContact O-N 3.41Å; V278-E282 PolarHBondContact O-N 3.09Å; V278-L333 HydrophobicContact CB-CD2 4.27Å; V278-L333 HydrophobicContact CG1-CD2 3.9Å; V278-I336 HydrophobicContact CG1-CD1 3.48Å; V278-I336 VanDerWaalsContact CG1-CD1 3.48Å; V278-I336 HydrophobicContact CG1-CG1 4.08Å; V278-I336 HydrophobicContact CG2-CD1 4.25Å; V278-I336 HydrophobicContact CG2-CG1 3.91Å; V278-A340 HydrophobicContact CG2-CB 3.62Å |
| 279 | L | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -70.3 | -30.2 | -178.9 | -72 | 82.3 | 0 | 0 | 0 | 111.6 | L224 M275 W276 Q277 G283 V284 L285 F303 L333 | L224-L279 HydrophobicContact CD1-CD1 4.48Å; L224-L279 HydrophobicContact CD1-CD2 3.95Å; M275-L279 VanDerWaalsContact O-CD1 3.24Å; M275-L279 WeakPolarHBondContact O-CD1 3.31Å; W276-L279 HydrophobicContact CE3-CD1 4.31Å; W276-L279 HydrophobicContact CE3-CD2 4.28Å; W276-L279 HydrophobicContact CZ3-CD2 4.09Å; W276-L279 PolarHBondContact O-N 3.39Å; W276-L279 VanDerWaalsContact O-N 3.08Å; Q277-L279 VanDerWaalsContact C-N 3.32Å; Q277-L279 PolarHBondContact O-N 3.08Å; L279-G283 PolarHBondContact O-N 3.27Å; L279-V284 HydrophobicContact CB-CB 4.41Å; L279-V284 HydrophobicContact CD2-CG1 4.42Å; L279-V284 PolarHBondContact O-N 3.06Å; L279-L285 HydrophobicContact CB-CB 3.82Å; L279-L285 PolarHBondContact O-N 3.12Å; L279-F303 HydrophobicContact CD2-CE1 4.32Å; L279-L333 HydrophobicContact CD1-CD1 3.92Å; L279-L333 HydrophobicContact CD1-CD2 3.65Å; L279-L333 HydrophobicContact CD1-CG 4.45Å |
| 280 | L | 93.9 | Very high | 92.7 | Very high | 12 Ų | 12 | 23.8 Ų | 23.8 | 6% | 0.063 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -75.9 | -43.3 | -179.6 | -171.8 | 152.4 | 0 | 0 | 0 | 112.7 | W276 Q277 V278 E282 G283 L285 T292 F294 Y301 | W276-L280 PolarHBondContact O-N 3.29Å; Q277-L280 PolarHBondContact O-N 3.14Å; Q277-L280 VanDerWaalsContact O-N 3.13Å; V278-L280 VanDerWaalsContact C-N 3.28Å; V278-L280 PolarHBondContact O-N 3.41Å; L280-E282 PolarHBondContact O-N 3.42Å; L280-G283 PolarHBondContact O-N 3.31Å; L280-G283 VanDerWaalsContact O-N 3.1Å; L280-L285 WeakPolarHBondContact CA-O 3.47Å; L280-L285 WeakPolarHBondContact CB-O 3.46Å; L280-L285 WeakPolarHBondContact CG-O 3.25Å; L280-T292 WeakPolarHBondContact CD2-O 3.23Å; L280-F294 HydrophobicContact CD1-CB 4.04Å; L280-F294 HydrophobicContact CD1-CD2 4.37Å; L280-Y301 HydrophobicContact CD1-CD1 3.86Å; L280-Y301 HydrophobicContact CD1-CE1 3.58Å |
| 281 | E | 89.1 | Confident | 92.7 | Very high | 43 Ų | 43 | 23.7 Ų | 23.7 | 20% | 0.201 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.6 | -31.7 | 177.5 | -69 | -173.5 | 160.5 | 0 | 0 | 112.4 | Q277 R343 R347 | Q277-E281 HydrophobicContact CG-CG 4.08Å; Q277-E281 PolarHBondContact NE2-OE1 3.2Å; Q277-E281 WeakPolarHBondContact O-CG 3.48Å; Q277-E281 PolarHBondContact O-N 2.94Å; E281-R343 IonicContact OE2-CZ 3.63Å; E281-R343 IonicContact OE2-NE 3.52Å; E281-R343 PolarHBondContact OE2-NE 2.67Å; E281-R343 IonicContact OE2-NH2 2.66Å; E281-R343 PolarHBondContact OE2-NH2 2.89Å; E281-R347 IonicContact OE1-CZ 3.74Å; E281-R347 IonicContact OE1-NH1 3.92Å; E281-R347 PolarHBondContact OE1-NH1 3.48Å; E281-R347 IonicContact OE1-NH2 2.86Å |
| 282 | E | 88 | Confident | 92.4 | Very high | 55 Ų | 55 | 27.2 Ų | 27.2 | 26% | 0.257 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | 1.7 | 179 | -67.8 | -86.4 | 151.1 | 0 | 0 | 113.2 | P213 S214 I217 V278 L280 V284 | P213-E282 WeakPolarHBondContact CB-O 3.38Å; S214-E282 PolarHBondContact N-OE2 2.98Å; I217-E282 HydrophobicContact CD1-CG 3.63Å; I217-E282 HydrophobicContact CG2-CB 4.02Å; I217-E282 HydrophobicContact CG2-CG 4.17Å; V278-E282 PolarHBondContact O-N 3.09Å; L280-E282 PolarHBondContact O-N 3.42Å; E282-V284 VanDerWaalsContact C-N 3.26Å; E282-V284 HydrophobicContact CB-CG2 4.39Å; E282-V284 PolarHBondContact O-N 3.43Å |
| 283 | G | 89.3 | Confident | 92.3 | Very high | 22 Ų | 22 | 29.1 Ų | 29.1 | 23% | 0.227 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 15.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | L279 L280 N286 | L279-G283 PolarHBondContact O-N 3.27Å; L280-G283 PolarHBondContact O-N 3.31Å; L280-G283 VanDerWaalsContact O-N 3.1Å; G283-N286 VanDerWaalsContact CA-OD1 3.32Å; G283-N286 WeakPolarHBondContact CA-OD1 3.42Å; G283-N286 PolarHBondContact O-ND2 2.95Å; G283-N286 PolarHBondContact O-OD1 3.47Å |
| 284 | V | 93.6 | Very high | 92.3 | Very high | 4 Ų | 4 | 28.8 Ų | 28.8 | 2% | 0.024 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -79.8 | -27.9 | 174.7 | 179.8 | 0 | 0 | 0 | 0 | 111 | P213 I217 L218 L279 E282 L304 | P213-V284 HydrophobicContact CB-CG2 3.73Å; P213-V284 HydrophobicContact CG-CG2 4.43Å; I217-V284 HydrophobicContact CG2-CG2 4.08Å; L218-V284 HydrophobicContact CB-CG2 4.5Å; L218-V284 HydrophobicContact CD1-CG2 4.32Å; L279-V284 HydrophobicContact CB-CB 4.41Å; L279-V284 HydrophobicContact CD2-CG1 4.42Å; L279-V284 PolarHBondContact O-N 3.06Å; E282-V284 VanDerWaalsContact C-N 3.26Å; E282-V284 HydrophobicContact CB-CG2 4.39Å; E282-V284 PolarHBondContact O-N 3.43Å; V284-L304 PolarHBondContact O-N 3.27Å |
| 285 | L | 95.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 113.2 | 172 | 178.8 | 72.1 | 0 | 0 | 0 | 109.8 | L255 W276 L279 L280 F294 R302 F303 | L255-L285 HydrophobicContact CD1-CD2 4.15Å; W276-L285 HydrophobicContact CE3-CD2 3.85Å; W276-L285 HydrophobicContact CZ3-CD2 4.4Å; L279-L285 HydrophobicContact CB-CB 3.82Å; L279-L285 PolarHBondContact O-N 3.12Å; L280-L285 WeakPolarHBondContact CA-O 3.47Å; L280-L285 WeakPolarHBondContact CB-O 3.46Å; L280-L285 WeakPolarHBondContact CG-O 3.25Å; L285-F294 HydrophobicContact CD2-CD2 4.31Å; L285-F294 HydrophobicContact CD2-CE2 4.17Å; L285-R302 CarbonylContact C-O 3.51Å; L285-F303 HydrophobicContact CD1-CD1 4.17Å; L285-F303 HydrophobicContact CD1-CD2 4.22Å; L285-F303 HydrophobicContact CD1-CE1 4.24Å; L285-F303 HydrophobicContact CD1-CE2 4.27Å; L285-F303 HydrophobicContact CD1-CG 4.16Å; L285-F303 HydrophobicContact CD1-CZ 4.29Å |
| 286 | N | 94.3 | Very high | 92.3 | Very high | 41 Ų | 41 | 33.2 Ų | 33.2 | 22% | 0.219 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 136.8 | -173.5 | -62.1 | -42.3 | 0 | 0 | 0 | 111.8 | G283 Y301 R302 E307 | G283-N286 VanDerWaalsContact CA-OD1 3.32Å; G283-N286 WeakPolarHBondContact CA-OD1 3.42Å; G283-N286 PolarHBondContact O-ND2 2.95Å; G283-N286 PolarHBondContact O-OD1 3.47Å; N286-Y301 CarbonylContact O-C 3.54Å; N286-Y301 VanDerWaalsContact O-CA 3.23Å; N286-Y301 WeakPolarHBondContact O-CA 3.38Å; N286-R302 PolarHBondContact N-O 2.86Å; N286-R302 PolarHBondContact O-N 3.13Å; N286-E307 PolarHBondContact ND2-OE1 2.82Å |
| 287 | H | 94.9 | Very high | 92.3 | Very high | 8 Ų | 8 | 39 Ų | 39 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 135.8 | 164.2 | -175.1 | -95.6 | 0 | 0 | 0 | 109.3 | D289 G290 E291 F300 Y301 | H287-D289 IonicContact CE1-OD2 3.89Å; H287-D289 PolarHBondContact ND1-N 3.09Å; H287-D289 PolarHBondContact O-N 3.23Å; H287-D289 VanDerWaalsContact O-N 3.13Å; H287-G290 PolarHBondContact O-N 3.18Å; H287-E291 HydrophobicContact CB-CB 4Å; H287-F300 PolarHBondContact CD2-O 3.46Å; H287-F300 VanDerWaalsContact CD2-O 3.31Å; H287-Y301 HydrophobicContact CB-CD1 3.99Å; H287-Y301 HydrophobicContact CB-CE1 3.91Å; H287-Y301 AromaticContact CD2-CE1 3.64Å; H287-Y301 AromaticContact CD2-CZ 3.81Å |
| 288 | V | 92.1 | Very high | 92.3 | Very high | 31 Ų | 31 | 45.6 Ų | 45.6 | 19% | 0.188 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -24.7 | -173.4 | -64.6 | 0 | 0 | 0 | 0 | 114.4 | Y246 C249 F300 | Y246-V288 HydrophobicContact CD1-CB 3.7Å; Y246-V288 HydrophobicContact CD1-CG1 4Å; Y246-V288 HydrophobicContact CD1-CG2 3.53Å; Y246-V288 HydrophobicContact CE1-CB 3.93Å; Y246-V288 HydrophobicContact CE1-CG2 3.44Å; Y246-V288 VanDerWaalsContact CE1-CG2 3.44Å; C249-V288 HydrophobicContact CB-CG1 4.38Å; V288-F300 HydrophobicContact CB-CB 4.45Å; V288-F300 HydrophobicContact CG1-CB 3.83Å; V288-F300 HydrophobicContact CG2-CB 3.75Å; V288-F300 HydrophobicContact CG2-CD2 4.41Å; V288-F300 PolarHBondContact N-O 2.87Å; V288-F300 VanDerWaalsContact N-O 3.08Å |
| 289 | D | 88.5 | Confident | 92.3 | Very high | 108 Ų | 108 | 47.3 Ų | 47.3 | 58% | 0.578 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | 8.1 | 176.6 | -55.8 | -46.3 | 0 | 0 | 0 | 113 | H287 | H287-D289 IonicContact CE1-OD2 3.89Å; H287-D289 PolarHBondContact ND1-N 3.09Å; H287-D289 PolarHBondContact O-N 3.23Å; H287-D289 VanDerWaalsContact O-N 3.13Å |
| 290 | G | 86.8 | Confident | 92.4 | Very high | 60 Ų | 60 | 47.8 Ų | 47.8 | 62% | 0.619 | 26% | 0.257 | S | S | * | . | trans | 79 | 25.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | H287 | H287-G290 PolarHBondContact O-N 3.18Š| ||
| 291 | E | 89.5 | Confident | 92.5 | Very high | 75 Ų | 75 | 47.2 Ų | 47.2 | 35% | 0.35 | 25% | 0.254 | S | S | . | . | trans | -68 | 138.9 | 169.9 | -66.8 | -170.1 | -175.4 | 0 | 0 | 110.5 | H287 V293 Q295 | H287-E291 HydrophobicContact CB-CB 4Å; E291-V293 VanDerWaalsContact C-N 3.3Å; E291-Q295 PolarHBondContact OE2-NE2 3.25Å; E291-Q295 VanDerWaalsContact OE2-NE2 3.08Å | ||
| 292 | T | 85.4 | Confident | 92.9 | Very high | 96 Ų | 96 | 47.7 Ų | 47.7 | 59% | 0.589 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -90 | 6.1 | -179 | 61.6 | 0 | 0 | 0 | 0 | 113.3 | Q277 L280 | Q277-T292 PolarHBondContact NE2-O 3.28Å; Q277-T292 VanDerWaalsContact NE2-O 3.11Å; L280-T292 WeakPolarHBondContact CD2-O 3.23Å |
| 293 | V | 90.9 | Very high | 93.2 | Very high | 39 Ų | 39 | 45.3 Ų | 45.3 | 24% | 0.236 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -131.2 | 123.9 | -173.8 | 174.3 | 0 | 0 | 0 | 0 | 109.4 | E291 Q295 M344 | E291-V293 VanDerWaalsContact C-N 3.3Å; V293-Q295 HydrophobicContact CG1-CG 4.23Å; V293-M344 HydrophobicContact CB-CG 4.35Å; V293-M344 HydrophobicContact CG1-CE 4.49Å; V293-M344 HydrophobicContact CG1-CG 3.62Å; V293-M344 HydrophobicContact CG1-SD 3.62Å; V293-M344 HydrophobicContact CG2-CG 4.05Å |
| 294 | F | 95.8 | Very high | 93.3 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.009 | 25% | 0.247 | C | C | . | . | trans | -74.7 | 133.4 | 171.8 | -173.2 | -90.1 | 0 | 0 | 0 | 109.9 | L255 V256 V273 W276 Q277 L280 L285 Y301 | L255-F294 HydrophobicContact CB-CZ 4.37Å; L255-F294 HydrophobicContact CD1-CE2 4.05Å; L255-F294 HydrophobicContact CD1-CZ 4.35Å; V256-F294 HydrophobicContact CG2-CE1 3.9Å; V256-F294 HydrophobicContact CG2-CZ 4.32Å; V273-F294 HydrophobicContact CB-CD1 4.37Å; V273-F294 HydrophobicContact CG1-CD1 4.19Å; V273-F294 HydrophobicContact CG2-CD1 4.28Å; V273-F294 HydrophobicContact CG2-CE1 4.32Å; W276-F294 HydrophobicContact CB-CD1 3.76Å; W276-F294 HydrophobicContact CB-CD2 3.81Å; W276-F294 HydrophobicContact CB-CE1 3.73Å; W276-F294 HydrophobicContact CB-CE2 3.78Å; W276-F294 HydrophobicContact CB-CG 3.8Å; W276-F294 HydrophobicContact CB-CZ 3.74Å; W276-F294 AromaticContact CD1-CE1 3.95Å; W276-F294 AromaticContact CD1-CZ 3.87Å; W276-F294 HydrophobicContact CG-CE1 4.08Å; W276-F294 HydrophobicContact CG-CE2 4.14Å; W276-F294 AromaticContact CG-CZ 3.83Å; W276-F294 HydrophobicContact CG-CZ 3.83Å; Q277-F294 HydrophobicContact CB-CB 4.38Å; L280-F294 HydrophobicContact CD1-CB 4.04Å; L280-F294 HydrophobicContact CD1-CD2 4.37Å; L285-F294 HydrophobicContact CD2-CD2 4.31Å; L285-F294 HydrophobicContact CD2-CE2 4.17Å; F294-Y301 AromaticContact CD2-CD1 3.95Å; F294-Y301 HydrophobicContact CD2-CD1 3.95Å; F294-Y301 HydrophobicContact CD2-CD2 4.44Å; F294-Y301 AromaticContact CD2-CE1 3.56Å; F294-Y301 HydrophobicContact CD2-CE1 3.56Å; F294-Y301 HydrophobicContact CD2-CE2 4.11Å; F294-Y301 HydrophobicContact CD2-CG 4.37Å; F294-Y301 AromaticContact CD2-CZ 3.65Å; F294-Y301 HydrophobicContact CE2-CD1 4.21Å; F294-Y301 AromaticContact CE2-CD2 3.97Å; F294-Y301 HydrophobicContact CE2-CD2 3.97Å; F294-Y301 HydrophobicContact CE2-CE1 4.07Å; F294-Y301 AromaticContact CE2-CE2 3.83Å; F294-Y301 HydrophobicContact CE2-CE2 3.83Å; F294-Y301 HydrophobicContact CE2-CG 4.16Å; F294-Y301 AromaticContact CE2-CZ 3.88Å; F294-Y301 HydrophobicContact CG-CE1 4.39Å | ||
| 295 | Q | 93.8 | Very high | 93 | Very high | 48 Ų | 48 | 48.9 Ų | 48.9 | 22% | 0.224 | 26% | 0.257 | C | S | . | . | trans | -129.9 | 135 | 179.7 | -52.6 | -179.3 | 26.7 | 0 | 0 | 110.6 | E291 V293 K297 L299 Y301 | E291-Q295 PolarHBondContact OE2-NE2 3.25Å; E291-Q295 VanDerWaalsContact OE2-NE2 3.08Å; V293-Q295 HydrophobicContact CG1-CG 4.23Å; Q295-K297 HydrophobicContact CB-CB 4.37Å; Q295-K297 HydrophobicContact CB-CD 4.38Å; Q295-K297 HydrophobicContact CB-CG 4.23Å; Q295-K297 PolarHBondContact O-N 3.12Å; Q295-L299 HydrophobicContact CB-CD1 4.05Å; Q295-L299 HydrophobicContact CG-CD1 4.31Å; Q295-Y301 PolarHBondContact N-OH 3.25Å; Q295-Y301 PolarHBondContact O-OH 3.08Å | ||
| 296 | D | 95.9 | Very high | 92.8 | Very high | 47 Ų | 47 | 49.4 Ų | 49.4 | 25% | 0.251 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -73.2 | 66.2 | 168.8 | -175.4 | 21 | 0 | 0 | 0 | 110.7 | T253 V256 R269 V273 | T253-D296 WeakPolarHBondContact CA-OD1 3.38Å; T253-D296 WeakPolarHBondContact CG2-OD1 3.43Å; V256-D296 HydrophobicContact CG2-CB 4.23Å; R269-D296 IonicContact CZ-OD1 3.62Å; R269-D296 IonicContact CZ-OD2 2.84Å; R269-D296 VanDerWaalsContact CZ-OD2 3.27Å; R269-D296 IonicContact NE-OD1 2.74Å; R269-D296 IonicContact NE-OD2 3.57Å; R269-D296 PolarHBondContact NE-OD2 3.32Å; R269-D296 VanDerWaalsContact NH2-CG 3.33Å; R269-D296 IonicContact NH2-OD1 3.96Å; R269-D296 PolarHBondContact NH2-OD1 2.87Å; R269-D296 IonicContact NH2-OD2 2.96Å; R269-D296 PolarHBondContact NH2-OD2 3.09Å; R269-D296 VanDerWaalsContact NH2-OD2 3.14Å; V273-D296 HydrophobicContact CG2-CB 3.74Å |
| 297 | K | 95.5 | Very high | 92.3 | Very high | 121 Ų | 121 | 52.3 Ų | 52.3 | 53% | 0.526 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -138.9 | 173.6 | -179 | -68.6 | -174 | -169.6 | 158.7 | 0 | 110.4 | T253 Q295 L299 | T253-K297 PolarHBondContact N-O 2.82Å; Q295-K297 HydrophobicContact CB-CB 4.37Å; Q295-K297 HydrophobicContact CB-CD 4.38Å; Q295-K297 HydrophobicContact CB-CG 4.23Å; Q295-K297 PolarHBondContact O-N 3.12Å; K297-L299 HydrophobicContact CB-CD1 4.37Å; K297-L299 HydrophobicContact CB-CG 4.11Å; K297-L299 PolarHBondContact O-N 3.5Å |
| 298 | Y | 95.5 | Very high | 91.6 | Very high | 139 Ų | 139 | 58.8 Ų | 58.8 | 55% | 0.545 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -74 | 62.5 | 171.5 | -162.2 | -97.7 | 0 | 0 | 0 | 111.4 | V251 F300 | V251-Y298 HydrophobicContact CG1-CD2 3.72Å; V251-Y298 HydrophobicContact CG1-CE2 4.18Å; V251-Y298 HydrophobicContact CG1-CG 4.34Å; V251-Y298 HydrophobicContact CG2-CD2 4.34Å; V251-Y298 HydrophobicContact CG2-CE2 4.02Å; Y298-F300 HydrophobicContact CD1-CE1 4.4Å; Y298-F300 AromaticContact CE1-CE1 3.85Å; Y298-F300 HydrophobicContact CE1-CE1 3.85Å; Y298-F300 AromaticContact CE1-CZ 3.93Å; Y298-F300 HydrophobicContact CE1-CZ 3.93Å |
| 299 | L | 95.8 | Very high | 90.4 | Very high | 42 Ų | 42 | 64.4 Ų | 64.4 | 22% | 0.22 | 33% | 0.326 | C | S | . | . | trans | -117.7 | 151.3 | 177.1 | -66.7 | -179.8 | 0 | 0 | 0 | 109.6 | V251 G252 Q295 K297 Y301 | V251-L299 VanDerWaalsContact CA-O 3.32Å; V251-L299 WeakPolarHBondContact CA-O 3.43Å; G252-L299 PolarHBondContact N-O 3.18Å; Q295-L299 HydrophobicContact CB-CD1 4.05Å; Q295-L299 HydrophobicContact CG-CD1 4.31Å; K297-L299 HydrophobicContact CB-CD1 4.37Å; K297-L299 HydrophobicContact CB-CG 4.11Å; K297-L299 PolarHBondContact O-N 3.5Å; L299-Y301 HydrophobicContact CB-CE2 3.89Å; L299-Y301 WeakPolarHBondContact O-CD2 3.48Å; L299-Y301 WeakPolarHBondContact O-CE2 3.33Å | ||
| 300 | F | 96.9 | Very high | 89.7 | Confident | 10 Ų | 10 | 66.2 Ų | 66.2 | 4% | 0.044 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 135.5 | -173.8 | -51.6 | -43.5 | 0 | 0 | 0 | 112.6 | R239 Y241 Y246 C249 C250 V251 H287 V288 Y298 | R239-F300 HydrophobicContact CB-CE1 4.21Å; R239-F300 HydrophobicContact CB-CZ 4.19Å; Y241-F300 HydrophobicContact CD1-CE2 4.48Å; Y241-F300 HydrophobicContact CG-CE2 4.11Å; Y241-F300 HydrophobicContact CG-CZ 4.32Å; Y246-F300 HydrophobicContact CD1-CD2 4.21Å; Y246-F300 AromaticContact CD2-CD2 3.71Å; Y246-F300 HydrophobicContact CD2-CD2 3.71Å; Y246-F300 AromaticContact CD2-CE2 3.73Å; Y246-F300 HydrophobicContact CD2-CE2 3.73Å; Y246-F300 HydrophobicContact CE2-CD2 4.13Å; Y246-F300 HydrophobicContact CE2-CE2 4.06Å; Y246-F300 AromaticContact CG-CD2 3.75Å; Y246-F300 HydrophobicContact CG-CD2 3.75Å; Y246-F300 HydrophobicContact CG-CE2 4.23Å; C249-F300 HydrophobicContact CB-CB 4.2Å; C250-F300 CarbonylContact O-C 3.49Å; C250-F300 VanDerWaalsContact O-CA 3.26Å; C250-F300 WeakPolarHBondContact O-CA 3.46Å; V251-F300 HydrophobicContact CG2-CD1 3.82Å; V251-F300 HydrophobicContact CG2-CE1 3.86Å; H287-F300 PolarHBondContact CD2-O 3.46Å; H287-F300 VanDerWaalsContact CD2-O 3.31Å; V288-F300 HydrophobicContact CB-CB 4.45Å; V288-F300 HydrophobicContact CG1-CB 3.83Å; V288-F300 HydrophobicContact CG2-CB 3.75Å; V288-F300 HydrophobicContact CG2-CD2 4.41Å; V288-F300 PolarHBondContact N-O 2.87Å; V288-F300 VanDerWaalsContact N-O 3.08Å; Y298-F300 HydrophobicContact CD1-CE1 4.4Å; Y298-F300 AromaticContact CE1-CE1 3.85Å; Y298-F300 HydrophobicContact CE1-CE1 3.85Å; Y298-F300 AromaticContact CE1-CZ 3.93Å; Y298-F300 HydrophobicContact CE1-CZ 3.93Å |
| 301 | Y | 96.8 | Very high | 89 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 150.8 | 178.4 | -56.8 | -93.6 | 0 | 0 | 0 | 110.4 | C249 C250 L280 N286 H287 F294 Q295 L299 | C249-Y301 CarbonylContact C-O 3.52Å; C249-Y301 VanDerWaalsContact CA-O 3.29Å; C249-Y301 WeakPolarHBondContact CA-O 3.36Å; C249-Y301 WeakPolarHBondContact CB-O 3.44Å; C250-Y301 PolarHBondContact N-O 2.72Å; C250-Y301 PolarHBondContact O-N 3.32Å; L280-Y301 HydrophobicContact CD1-CD1 3.86Å; L280-Y301 HydrophobicContact CD1-CE1 3.58Å; N286-Y301 CarbonylContact O-C 3.54Å; N286-Y301 VanDerWaalsContact O-CA 3.23Å; N286-Y301 WeakPolarHBondContact O-CA 3.38Å; H287-Y301 HydrophobicContact CB-CD1 3.99Å; H287-Y301 HydrophobicContact CB-CE1 3.91Å; H287-Y301 AromaticContact CD2-CE1 3.64Å; H287-Y301 AromaticContact CD2-CZ 3.81Å; F294-Y301 AromaticContact CD2-CD1 3.95Å; F294-Y301 HydrophobicContact CD2-CD1 3.95Å; F294-Y301 HydrophobicContact CD2-CD2 4.44Å; F294-Y301 AromaticContact CD2-CE1 3.56Å; F294-Y301 HydrophobicContact CD2-CE1 3.56Å; F294-Y301 HydrophobicContact CD2-CE2 4.11Å; F294-Y301 HydrophobicContact CD2-CG 4.37Å; F294-Y301 AromaticContact CD2-CZ 3.65Å; F294-Y301 HydrophobicContact CE2-CD1 4.21Å; F294-Y301 AromaticContact CE2-CD2 3.97Å; F294-Y301 HydrophobicContact CE2-CD2 3.97Å; F294-Y301 HydrophobicContact CE2-CE1 4.07Å; F294-Y301 AromaticContact CE2-CE2 3.83Å; F294-Y301 HydrophobicContact CE2-CE2 3.83Å; F294-Y301 HydrophobicContact CE2-CG 4.16Å; F294-Y301 AromaticContact CE2-CZ 3.88Å; F294-Y301 HydrophobicContact CG-CE1 4.39Å; Q295-Y301 PolarHBondContact N-OH 3.25Å; Q295-Y301 PolarHBondContact O-OH 3.08Å; L299-Y301 HydrophobicContact CB-CE2 3.89Å; L299-Y301 WeakPolarHBondContact O-CD2 3.48Å; L299-Y301 WeakPolarHBondContact O-CE2 3.33Å |
| 302 | R | 95.8 | Very high | 88.4 | Confident | 54 Ų | 54 | 68.2 Ų | 68.2 | 20% | 0.204 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 133.1 | -178.3 | -171.8 | -176.6 | -62.9 | 124.1 | 3.1 | 110.4 | R247 L285 N286 D306 | R247-R302 PolarHBondContact O-NE 2.75Å; R247-R302 VanDerWaalsContact O-NE 3.1Å; R247-R302 PolarHBondContact O-NH2 3.34Å; L285-R302 CarbonylContact C-O 3.51Å; N286-R302 PolarHBondContact N-O 2.86Å; N286-R302 PolarHBondContact O-N 3.13Å; R302-D306 WeakPolarHBondContact CD-O 3.25Å; R302-D306 HydrophobicContact CG-CB 3.93Å |
| 303 | F | 95 | Very high | 88.2 | Confident | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.018 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 149.3 | 172.6 | -75 | -83.6 | 0 | 0 | 0 | 110.4 | R225 I228 I236 W276 L279 L285 D305 D306 E307 | R225-F303 HydrophobicContact CB-CD1 4.11Å; R225-F303 HydrophobicContact CB-CD2 4.22Å; R225-F303 HydrophobicContact CB-CE1 4.25Å; R225-F303 HydrophobicContact CB-CE2 4.37Å; R225-F303 HydrophobicContact CB-CG 4.1Å; R225-F303 HydrophobicContact CB-CZ 4.38Å; R225-F303 HydrophobicContact CG-CB 4.5Å; R225-F303 HydrophobicContact CG-CD2 4.2Å; R225-F303 HydrophobicContact CG-CG 4.24Å; I228-F303 HydrophobicContact CD1-CE2 4.06Å; I228-F303 HydrophobicContact CD1-CZ 4.03Å; I236-F303 HydrophobicContact CD1-CD2 4.33Å; I236-F303 HydrophobicContact CD1-CE2 4.35Å; W276-F303 HydrophobicContact CH2-CZ 4.35Å; W276-F303 HydrophobicContact CZ3-CE1 4.37Å; W276-F303 HydrophobicContact CZ3-CZ 4.05Å; L279-F303 HydrophobicContact CD2-CE1 4.32Å; L285-F303 HydrophobicContact CD1-CD1 4.17Å; L285-F303 HydrophobicContact CD1-CD2 4.22Å; L285-F303 HydrophobicContact CD1-CE1 4.24Å; L285-F303 HydrophobicContact CD1-CE2 4.27Å; L285-F303 HydrophobicContact CD1-CG 4.16Å; L285-F303 HydrophobicContact CD1-CZ 4.29Å; F303-D305 VanDerWaalsContact C-N 3.27Å; F303-D305 PolarHBondContact O-N 3.42Å; F303-D306 PolarHBondContact O-N 2.86Å; F303-E307 PolarHBondContact O-N 3.36Å |
| 304 | L | 91 | Very high | 87.9 | Confident | 58 Ų | 58 | 68.4 Ų | 68.4 | 30% | 0.304 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -54.1 | -41.4 | 179.8 | -175.7 | 63.2 | 0 | 0 | 0 | 113 | L218 V284 D306 E307 | L218-L304 HydrophobicContact CD1-CD2 3.84Å; V284-L304 PolarHBondContact O-N 3.27Å; L304-D306 PolarHBondContact O-N 3.35Å; L304-E307 WeakPolarHBondContact O-CB 3.18Å; L304-E307 PolarHBondContact O-N 2.94Å |
| 305 | D | 88.6 | Confident | 87.6 | Confident | 44 Ų | 44 | 70.9 Ų | 70.9 | 24% | 0.235 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -64.1 | -26.6 | 177.8 | -67.8 | -18.8 | 0 | 0 | 0 | 113 | F303 E307 A311 | F303-D305 VanDerWaalsContact C-N 3.27Å; F303-D305 PolarHBondContact O-N 3.42Å; D305-E307 VanDerWaalsContact C-N 3.34Å; D305-A311 WeakPolarHBondContact O-CB 3.37Å |
| 306 | D | 89.6 | Confident | 87.2 | Confident | 10 Ų | 10 | 75.1 Ų | 75.1 | 5% | 0.053 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -88.1 | 0.2 | -179.6 | -62.4 | -44.1 | 0 | 0 | 0 | 112.7 | R225 Q248 R302 F303 L304 Q308 | R225-D306 IonicContact CZ-OD1 3.69Å; R225-D306 IonicContact NE-OD1 3.41Å; R225-D306 PolarHBondContact NE-OD1 3.26Å; R225-D306 IonicContact NE-OD2 3.26Å; R225-D306 PolarHBondContact NE-OD2 2.78Å; R225-D306 VanDerWaalsContact NE-OD2 3.08Å; R225-D306 IonicContact NH2-OD1 3.29Å; R225-D306 PolarHBondContact NH2-OD1 3.41Å; Q248-D306 HydrophobicContact CB-CB 4.13Å; R302-D306 WeakPolarHBondContact CD-O 3.25Å; R302-D306 HydrophobicContact CG-CB 3.93Å; F303-D306 PolarHBondContact O-N 2.86Å; L304-D306 PolarHBondContact O-N 3.35Å; D306-Q308 VanDerWaalsContact C-N 3.29Å |
| 307 | E | 84.3 | Confident | 86.8 | Confident | 103 Ų | 103 | 79 Ų | 79 | 48% | 0.481 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -71.8 | -25.4 | 170.2 | -70.1 | -164.8 | 170 | 0 | 0 | 112.6 | N286 F303 L304 D305 | N286-E307 PolarHBondContact ND2-OE1 2.82Å; F303-E307 PolarHBondContact O-N 3.36Å; L304-E307 WeakPolarHBondContact O-CB 3.18Å; L304-E307 PolarHBondContact O-N 2.94Å; D305-E307 VanDerWaalsContact C-N 3.34Å |
| 308 | Q | 80.9 | Confident | 86.4 | Confident | 144 Ų | 144 | 76.8 Ų | 76.8 | 67% | 0.673 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -79.8 | 139 | 176.1 | -61.9 | -175.7 | 4.8 | 0 | 0 | 110.6 | D306 D310 A311 | D306-Q308 VanDerWaalsContact C-N 3.29Å; Q308-D310 PolarHBondContact O-N 2.92Å; Q308-A311 PolarHBondContact O-N 3.11Å |
| 309 | E | 67.3 | Low | 86 | Confident | 149 Ų | 149 | 73.8 Ų | 73.8 | 70% | 0.696 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -27.9 | -174.4 | -131.7 | 177.5 | 172.1 | 0 | 0 | 113.2 | R247 | R247-E309 IonicContact CZ-OE1 2.74Å; R247-E309 IonicContact NH1-OE1 2.87Å; R247-E309 PolarHBondContact NH1-OE1 3.19Å; R247-E309 IonicContact NH2-OE1 2.76Å |
| 310 | D | 72.5 | Confident | 85.4 | Confident | 145 Ų | 145 | 78.2 Ų | 78.2 | 78% | 0.775 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | 47 | 177 | -65.6 | -38.1 | 0 | 0 | 0 | 111.9 | Q308 L312 | Q308-D310 PolarHBondContact O-N 2.92Å; D310-L312 PolarHBondContact O-N 3.41Å; D310-L312 VanDerWaalsContact O-N 3.08Å |
| 311 | A | 73.2 | Confident | 85 | Confident | 32 Ų | 32 | 81 Ų | 81 | 26% | 0.264 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 116.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | D305 Q308 | D305-A311 WeakPolarHBondContact O-CB 3.37Å; Q308-A311 PolarHBondContact O-N 3.11Å |
| 312 | L | 76.3 | Confident | 84.6 | Confident | 146 Ų | 146 | 81 Ų | 81 | 76% | 0.764 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 139.4 | -175.8 | -65.3 | 172.9 | 0 | 0 | 0 | 111.1 | R225 D310 | R225-L312 PolarHBondContact NH2-O 2.78Å; D310-L312 PolarHBondContact O-N 3.41Å; D310-L312 VanDerWaalsContact O-N 3.08Å |
| 313 | I | 80.1 | Confident | 84.1 | Confident | 134 Ų | 134 | 83.5 Ų | 83.5 | 69% | 0.687 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -73.6 | 136.6 | 169.4 | -60.4 | 172.6 | 0 | 0 | 0 | 107.5 | S315 R319 | I313-S315 PolarHBondContact O-N 2.94Å; I313-R319 VanDerWaalsContact CG2-NH2 3.31Å |
| 314 | P | 85.9 | Confident | 83.5 | Confident | 4 Ų | 4 | 89.8 Ų | 89.8 | 3% | 0.026 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 133.3 | -179.6 | -20.6 | 30.6 | 0 | 0 | 0 | 111.3 | H226 L229 E318 R319 | H226-P314 HydrophobicContact CB-CB 4.36Å; H226-P314 HydrophobicContact CB-CG 4.12Å; H226-P314 VanDerWaalsContact CD2-CG 3.5Å; H226-P314 WeakPolarHBondContact CD2-CG 3.44Å; L229-P314 HydrophobicContact CB-CG 4.45Å; L229-P314 HydrophobicContact CD1-CG 3.93Å; P314-E318 HydrophobicContact CB-CB 4.34Å; P314-R319 HydrophobicContact CB-CG 4Å; P314-R319 PolarHBondContact O-NE 3.02Å; P314-R319 PolarHBondContact O-NH2 2.8Å |
| 315 | S | 88.1 | Confident | 83.4 | Confident | 54 Ų | 54 | 89.8 Ų | 89.8 | 38% | 0.378 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -64 | 160.9 | 171.4 | 66.2 | 0 | 0 | 0 | 0 | 111.6 | I313 E317 E318 R319 | I313-S315 PolarHBondContact O-N 2.94Å; S315-E317 PolarHBondContact O-N 2.8Å; S315-E318 WeakPolarHBondContact CB-OE2 3.25Å; S315-E318 PolarHBondContact N-OE2 2.88Å; S315-E318 PolarHBondContact O-N 2.82Å; S315-E318 VanDerWaalsContact OG-CG 3.26Å; S315-E318 WeakPolarHBondContact OG-CG 3.32Å; S315-E318 PolarHBondContact OG-N 2.96Å; S315-E318 PolarHBondContact OG-OE2 2.79Å; S315-R319 VanDerWaalsContact O-CG 3.31Å; S315-R319 WeakPolarHBondContact O-CG 3.49Å; S315-R319 PolarHBondContact O-N 2.85Å |
| 316 | E | 85.6 | Confident | 83.5 | Confident | 137 Ų | 137 | 88 Ų | 88 | 64% | 0.64 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -59 | -32.1 | 177.7 | -73.8 | -62.2 | 126.6 | 0 | 0 | 112.9 | R319 R320 | E316-R319 IonicContact OE1-CZ 2.76Å; E316-R319 IonicContact OE1-NE 2.87Å; E316-R319 IonicContact OE1-NH1 3.73Å; E316-R319 PolarHBondContact OE1-NH1 2.86Å; E316-R320 PolarHBondContact O-N 3.08Å |
| 317 | E | 87.8 | Confident | 83.3 | Confident | 129 Ų | 129 | 89 Ų | 89 | 60% | 0.603 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -68.8 | -47.3 | 175.8 | -179.3 | 149.4 | -131.9 | 0 | 0 | 111.8 | S315 R319 R320 E321 | S315-E317 PolarHBondContact O-N 2.8Å; E317-R319 VanDerWaalsContact C-N 3.28Å; E317-R319 PolarHBondContact O-N 2.87Å; E317-R320 WeakPolarHBondContact O-CB 3.46Å; E317-R320 PolarHBondContact O-N 2.9Å; E317-R320 VanDerWaalsContact O-N 3.15Å; E317-R320 IonicContact OE1-NH2 2.73Å; E317-R320 PolarHBondContact OE1-NH2 2.86Å; E317-R320 VanDerWaalsContact OE1-NH2 3.08Å; E317-E321 WeakPolarHBondContact O-CB 3.37Å; E317-E321 PolarHBondContact O-N 2.8Å |
| 318 | E | 88 | Confident | 83.4 | Confident | 74 Ų | 74 | 89.1 Ų | 89.1 | 35% | 0.346 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.8 | -31.8 | 176.1 | -69.8 | 166.5 | 130.2 | 0 | 0 | 112.3 | H226 P314 S315 S322 | H226-E318 IonicContact CE1-OE1 3.85Å; P314-E318 HydrophobicContact CB-CB 4.34Å; S315-E318 WeakPolarHBondContact CB-OE2 3.25Å; S315-E318 PolarHBondContact N-OE2 2.88Å; S315-E318 PolarHBondContact O-N 2.82Å; S315-E318 VanDerWaalsContact OG-CG 3.26Å; S315-E318 WeakPolarHBondContact OG-CG 3.32Å; S315-E318 PolarHBondContact OG-N 2.96Å; S315-E318 PolarHBondContact OG-OE2 2.79Å; E318-S322 VanDerWaalsContact O-CB 3.25Å; E318-S322 WeakPolarHBondContact O-CB 3.26Å; E318-S322 PolarHBondContact O-N 2.86Å; E318-S322 PolarHBondContact O-OG 2.79Å |
| 319 | R | 86.6 | Confident | 83.9 | Confident | 76 Ų | 76 | 82.8 Ų | 82.8 | 29% | 0.287 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.1 | -45.7 | 172.4 | -70.4 | 178.9 | -166.3 | 171.6 | -2.9 | 111 | S230 I313 P314 S315 E316 E317 S322 Q323 | S230-R319 WeakPolarHBondContact OG-CG 3.21Å; I313-R319 VanDerWaalsContact CG2-NH2 3.31Å; P314-R319 HydrophobicContact CB-CG 4Å; P314-R319 PolarHBondContact O-NE 3.02Å; P314-R319 PolarHBondContact O-NH2 2.8Å; S315-R319 VanDerWaalsContact O-CG 3.31Å; S315-R319 WeakPolarHBondContact O-CG 3.49Å; S315-R319 PolarHBondContact O-N 2.85Å; E316-R319 IonicContact OE1-CZ 2.76Å; E316-R319 IonicContact OE1-NE 2.87Å; E316-R319 IonicContact OE1-NH1 3.73Å; E316-R319 PolarHBondContact OE1-NH1 2.86Å; E317-R319 VanDerWaalsContact C-N 3.28Å; E317-R319 PolarHBondContact O-N 2.87Å; R319-S322 PolarHBondContact O-N 3.5Å; R319-S322 PolarHBondContact O-OG 2.84Å; R319-Q323 VanDerWaalsContact O-CG 3.31Å; R319-Q323 WeakPolarHBondContact O-CG 3.44Å; R319-Q323 PolarHBondContact O-N 2.88Å; R319-Q323 VanDerWaalsContact O-N 3.09Å |
| 320 | R | 84 | Confident | 85 | Confident | 135 Ų | 135 | 75.7 Ų | 75.7 | 51% | 0.509 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.8 | -49 | 176.9 | -175.3 | -175.1 | 65.1 | -156.6 | -7.4 | 110.9 | E316 E317 S322 Q323 E324 | E316-R320 PolarHBondContact O-N 3.08Å; E317-R320 WeakPolarHBondContact O-CB 3.46Å; E317-R320 PolarHBondContact O-N 2.9Å; E317-R320 VanDerWaalsContact O-N 3.15Å; E317-R320 IonicContact OE1-NH2 2.73Å; E317-R320 PolarHBondContact OE1-NH2 2.86Å; E317-R320 VanDerWaalsContact OE1-NH2 3.08Å; R320-S322 PolarHBondContact O-N 3.06Å; R320-Q323 WeakPolarHBondContact O-CB 3.4Å; R320-Q323 PolarHBondContact O-N 2.89Å; R320-Q323 VanDerWaalsContact O-N 3.12Å; R320-E324 PolarHBondContact O-N 3.46Å; R320-E324 VanDerWaalsContact O-N 3.13Å |
| 321 | E | 87.8 | Confident | 85.7 | Confident | 68 Ų | 68 | 70.2 Ų | 70.2 | 32% | 0.318 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.8 | -46.8 | 178.2 | -169.8 | -177.9 | -149.3 | 0 | 0 | 111.5 | R219 E317 Q323 E324 E325 | R219-E321 IonicContact CZ-OE1 3.89Å; R219-E321 IonicContact CZ-OE2 3.33Å; R219-E321 IonicContact NH1-OE1 3.35Å; R219-E321 IonicContact NH1-OE2 2.81Å; R219-E321 PolarHBondContact NH1-OE2 3Å; R219-E321 IonicContact NH2-OE1 3.08Å; R219-E321 PolarHBondContact NH2-OE1 3.15Å; R219-E321 IonicContact NH2-OE2 2.92Å; R219-E321 PolarHBondContact NH2-OE2 2.8Å; E317-E321 WeakPolarHBondContact O-CB 3.37Å; E317-E321 PolarHBondContact O-N 2.8Å; E321-Q323 VanDerWaalsContact C-N 3.26Å; E321-Q323 PolarHBondContact O-N 3.48Å; E321-E324 PolarHBondContact O-N 2.89Å; E321-E324 VanDerWaalsContact O-N 3.12Å; E321-E325 PolarHBondContact O-N 3.1Å |
| 322 | S | 88.3 | Confident | 86.5 | Confident | 2 Ų | 2 | 71.4 Ų | 71.4 | 1% | 0.014 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.3 | -33.5 | 176.4 | 72.5 | 0 | 0 | 0 | 0 | 113 | E318 R319 R320 L326 | E318-S322 VanDerWaalsContact O-CB 3.25Å; E318-S322 WeakPolarHBondContact O-CB 3.26Å; E318-S322 PolarHBondContact O-N 2.86Å; E318-S322 PolarHBondContact O-OG 2.79Å; R319-S322 PolarHBondContact O-N 3.5Å; R319-S322 PolarHBondContact O-OG 2.84Å; R320-S322 PolarHBondContact O-N 3.06Å; S322-L326 WeakPolarHBondContact O-CB 3.43Å; S322-L326 PolarHBondContact O-N 2.75Å |
| 323 | Q | 84.4 | Confident | 87.3 | Confident | 106 Ų | 106 | 64.4 Ų | 64.4 | 50% | 0.495 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -71.8 | -32 | 177.3 | -74 | 177.3 | 20.1 | 0 | 0 | 112.6 | R319 R320 E321 | R319-Q323 VanDerWaalsContact O-CG 3.31Å; R319-Q323 WeakPolarHBondContact O-CG 3.44Å; R319-Q323 PolarHBondContact O-N 2.88Å; R319-Q323 VanDerWaalsContact O-N 3.09Å; R320-Q323 WeakPolarHBondContact O-CB 3.4Å; R320-Q323 PolarHBondContact O-N 2.89Å; R320-Q323 VanDerWaalsContact O-N 3.12Å; E321-Q323 VanDerWaalsContact C-N 3.26Å; E321-Q323 PolarHBondContact O-N 3.48Å |
| 324 | E | 84.3 | Confident | 87.8 | Confident | 135 Ų | 135 | 58.9 Ų | 58.9 | 63% | 0.631 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -74.9 | -44.4 | 177.2 | -69.7 | 175.2 | 179.8 | 0 | 0 | 111 | R320 E321 | R320-E324 PolarHBondContact O-N 3.46Å; R320-E324 VanDerWaalsContact O-N 3.13Å; E321-E324 PolarHBondContact O-N 2.89Å; E321-E324 VanDerWaalsContact O-N 3.12Å |
| 325 | E | 88.9 | Confident | 87.9 | Confident | 59 Ų | 59 | 61.5 Ų | 61.5 | 28% | 0.276 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -86.2 | -10.4 | -176 | -64.8 | -178.2 | -168.2 | 0 | 0 | 114.7 | R219 I223 E321 Q327 D328 T329 | R219-E325 IonicContact CZ-OE1 2.65Å; R219-E325 IonicContact CZ-OE2 2.88Å; R219-E325 IonicContact NE-OE2 2.64Å; R219-E325 PolarHBondContact NE-OE2 2.89Å; R219-E325 IonicContact NH2-OE1 2.98Å; R219-E325 PolarHBondContact NH2-OE1 3.07Å; R219-E325 IonicContact NH2-OE2 3.99Å; R219-E325 PolarHBondContact NH2-OE2 3.21Å; I223-E325 HydrophobicContact CD1-CB 3.82Å; I223-E325 WeakPolarHBondContact CD1-OE2 3.36Å; I223-E325 HydrophobicContact CG1-CB 4.42Å; I223-E325 HydrophobicContact CG2-CB 4.48Å; E321-E325 PolarHBondContact O-N 3.1Å; E325-Q327 VanDerWaalsContact C-N 3.31Å; E325-Q327 PolarHBondContact O-N 2.72Å; E325-D328 PolarHBondContact O-N 2.97Å; E325-T329 WeakPolarHBondContact O-CB 3.42Å; E325-T329 PolarHBondContact O-N 2.77Å; E325-T329 PolarHBondContact O-OG1 2.96Å |
| 326 | L | 88.9 | Confident | 87.9 | Confident | 6 Ų | 6 | 61.4 Ų | 61.4 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.4 | -43 | -174.1 | 178.5 | 62.5 | 0 | 0 | 0 | 112.9 | I223 L224 A227 R231 W258 S322 T329 L330 | I223-L326 HydrophobicContact CG2-CB 4.39Å; I223-L326 HydrophobicContact CG2-CD1 4.36Å; L224-L326 HydrophobicContact CD2-CD1 3.7Å; A227-L326 HydrophobicContact CB-CD1 3.99Å; A227-L326 HydrophobicContact CB-CD2 4.13Å; R231-L326 VanDerWaalsContact NH1-CD2 3.34Å; W258-L326 HydrophobicContact CH2-CD1 4.1Å; S322-L326 WeakPolarHBondContact O-CB 3.43Å; S322-L326 PolarHBondContact O-N 2.75Å; L326-T329 PolarHBondContact O-N 3.17Å; L326-L330 HydrophobicContact CD1-CD1 3.89Å; L326-L330 HydrophobicContact CD1-CG 4.18Å; L326-L330 HydrophobicContact CG-CD1 3.85Å; L326-L330 WeakPolarHBondContact O-CB 3.45Å; L326-L330 VanDerWaalsContact O-CG 3.28Å; L326-L330 WeakPolarHBondContact O-CG 3.13Å; L326-L330 PolarHBondContact O-N 2.82Å |
| 327 | Q | 86.3 | Confident | 88.2 | Confident | 31 Ų | 31 | 54.9 Ų | 54.9 | 15% | 0.145 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70.5 | -40.2 | -174.7 | -172.2 | 57.9 | 39.8 | 0 | 0 | 111.6 | C263 E325 T329 L330 L331 N909 | C263-Q327 PolarHBondContact SG-NE2 2.75Å; E325-Q327 VanDerWaalsContact C-N 3.31Å; E325-Q327 PolarHBondContact O-N 2.72Å; Q327-T329 VanDerWaalsContact C-N 3.34Å; Q327-L330 PolarHBondContact O-N 3.12Å; Q327-L331 PolarHBondContact O-N 3.32Å; Q327-N909 WeakPolarHBondContact CG-ND2 3.18Å; Q327-N909 PolarHBondContact NE2-ND2 2.97Å |
| 328 | D | 86.4 | Confident | 88.3 | Confident | 105 Ų | 105 | 49.3 Ų | 49.3 | 56% | 0.561 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -68.3 | -37.4 | 176.6 | -62 | -19 | 0 | 0 | 0 | 110.8 | E325 L331 F332 | E325-D328 PolarHBondContact O-N 2.97Å; D328-L331 PolarHBondContact O-N 2.88Å; D328-F332 WeakPolarHBondContact O-CB 3.18Å; D328-F332 PolarHBondContact O-N 3.27Å |
| 329 | T | 91.2 | Very high | 88.2 | Confident | 12 Ų | 12 | 48.2 Ų | 48.2 | 7% | 0.074 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.2 | -45.1 | 173.8 | -59.3 | 0 | 0 | 0 | 0 | 111.7 | A220 I223 L224 E325 L326 Q327 F332 L333 | A220-T329 HydrophobicContact CB-CG2 3.56Å; I223-T329 HydrophobicContact CB-CG2 4.48Å; I223-T329 HydrophobicContact CD1-CG2 4.49Å; I223-T329 WeakPolarHBondContact CD1-OG1 3.49Å; I223-T329 HydrophobicContact CG2-CG2 4.47Å; L224-T329 HydrophobicContact CD2-CG2 4.43Å; L224-T329 HydrophobicContact CG-CG2 4.41Å; E325-T329 WeakPolarHBondContact O-CB 3.42Å; E325-T329 PolarHBondContact O-N 2.77Å; E325-T329 PolarHBondContact O-OG1 2.96Å; L326-T329 PolarHBondContact O-N 3.17Å; Q327-T329 VanDerWaalsContact C-N 3.34Å; T329-F332 PolarHBondContact O-N 2.86Å; T329-L333 HydrophobicContact CG2-CD1 4.25Å; T329-L333 WeakPolarHBondContact O-CG 3.36Å; T329-L333 PolarHBondContact O-N 3.36Å |
| 330 | L | 90.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.8 | -37.2 | 177 | -71.7 | 166 | 0 | 0 | 0 | 111.7 | L224 Q259 Q262 C263 M275 L326 Q327 S334 | L224-L330 HydrophobicContact CD2-CD2 4.02Å; L224-L330 HydrophobicContact CD2-CG 4.43Å; Q259-L330 HydrophobicContact CG-CD2 3.96Å; Q262-L330 HydrophobicContact CB-CD1 4.18Å; C263-L330 HydrophobicContact CB-CB 4.35Å; C263-L330 HydrophobicContact CB-CD1 4Å; M275-L330 HydrophobicContact CE-CD2 4.17Å; M275-L330 VanDerWaalsContact CE-O 3.25Å; M275-L330 WeakPolarHBondContact CE-O 3.32Å; L326-L330 HydrophobicContact CD1-CD1 3.89Å; L326-L330 HydrophobicContact CD1-CG 4.18Å; L326-L330 HydrophobicContact CG-CD1 3.85Å; L326-L330 WeakPolarHBondContact O-CB 3.45Å; L326-L330 VanDerWaalsContact O-CG 3.28Å; L326-L330 WeakPolarHBondContact O-CG 3.13Å; L326-L330 PolarHBondContact O-N 2.82Å; Q327-L330 PolarHBondContact O-N 3.12Å; L330-S334 WeakPolarHBondContact O-CB 3.34Å; L330-S334 PolarHBondContact O-N 2.87Å |
| 331 | L | 87.5 | Confident | 88.6 | Confident | 30 Ų | 30 | 38.5 Ų | 38.5 | 16% | 0.157 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.1 | -50.7 | 172.7 | -178.9 | 70 | 0 | 0 | 0 | 110.8 | Q327 D328 L333 S334 Q335 N909 | Q327-L331 PolarHBondContact O-N 3.32Å; D328-L331 PolarHBondContact O-N 2.88Å; L331-L333 PolarHBondContact O-N 2.91Å; L331-S334 WeakPolarHBondContact O-CA 3.25Å; L331-S334 WeakPolarHBondContact O-CB 3.48Å; L331-S334 PolarHBondContact O-N 2.98Å; L331-S334 PolarHBondContact O-OG 2.93Å; L331-Q335 WeakPolarHBondContact O-CG 3.3Å; L331-Q335 PolarHBondContact O-N 3.45Å; L331-Q335 VanDerWaalsContact O-N 3.15Å; L331-N909 HydrophobicContact CD1-CB 4.21Å; L331-N909 WeakPolarHBondContact CD2-OD1 3.47Å |
| 332 | F | 90.2 | Very high | 88.8 | Confident | 56 Ų | 56 | 35.5 Ų | 35.5 | 25% | 0.246 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -54 | -50.7 | 177.5 | 168.8 | -113.9 | 0 | 0 | 0 | 111.6 | K216 I217 D328 T329 S334 Q335 I336 | K216-F332 HydrophobicContact CB-CE1 4.37Å; K216-F332 HydrophobicContact CB-CZ 4.2Å; I217-F332 HydrophobicContact CG1-CE1 4.31Å; I217-F332 HydrophobicContact CG1-CZ 4.45Å; D328-F332 WeakPolarHBondContact O-CB 3.18Å; D328-F332 PolarHBondContact O-N 3.27Å; T329-F332 PolarHBondContact O-N 2.86Å; F332-S334 VanDerWaalsContact C-N 3.26Å; F332-S334 PolarHBondContact O-N 3.29Å; F332-Q335 WeakPolarHBondContact O-CB 3.35Å; F332-Q335 PolarHBondContact O-N 3.43Å; F332-Q335 VanDerWaalsContact O-N 3.1Å; F332-I336 HydrophobicContact CD1-CD1 4.36Å; F332-I336 HydrophobicContact CE1-CD1 3.73Å; F332-I336 HydrophobicContact CE2-CD1 4.06Å; F332-I336 HydrophobicContact CE2-CG2 4.37Å; F332-I336 HydrophobicContact CZ-CD1 3.56Å; F332-I336 PolarHBondContact O-N 3.42Å |
| 333 | L | 92.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.9 | -34 | 176.9 | -69.7 | 173.1 | 0 | 0 | 0 | 112.5 | L224 M275 V278 L279 T329 L331 Q335 I336 G337 | L224-L333 HydrophobicContact CD1-CD1 3.67Å; M275-L333 HydrophobicContact CB-CB 4.27Å; M275-L333 HydrophobicContact CE-CB 3.8Å; M275-L333 HydrophobicContact CG-CB 4.34Å; V278-L333 HydrophobicContact CB-CD2 4.27Å; V278-L333 HydrophobicContact CG1-CD2 3.9Å; L279-L333 HydrophobicContact CD1-CD1 3.92Å; L279-L333 HydrophobicContact CD1-CD2 3.65Å; L279-L333 HydrophobicContact CD1-CG 4.45Å; T329-L333 HydrophobicContact CG2-CD1 4.25Å; T329-L333 WeakPolarHBondContact O-CG 3.36Å; T329-L333 PolarHBondContact O-N 3.36Å; L331-L333 PolarHBondContact O-N 2.91Å; L333-Q335 VanDerWaalsContact C-N 3.25Å; L333-Q335 PolarHBondContact O-N 2.95Å; L333-I336 HydrophobicContact CD2-CD1 4.34Å; L333-G337 WeakPolarHBondContact O-CA 3.49Å; L333-G337 PolarHBondContact O-N 3.43Å |
| 334 | S | 89.9 | Confident | 89.1 | Confident | 18 Ų | 18 | 33.1 Ų | 33.1 | 13% | 0.126 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.3 | -24.5 | 177.6 | 81.1 | 0 | 0 | 0 | 0 | 113.3 | L330 L331 F332 P338 | L330-S334 WeakPolarHBondContact O-CB 3.34Å; L330-S334 PolarHBondContact O-N 2.87Å; L331-S334 WeakPolarHBondContact O-CA 3.25Å; L331-S334 WeakPolarHBondContact O-CB 3.48Å; L331-S334 PolarHBondContact O-N 2.98Å; L331-S334 PolarHBondContact O-OG 2.93Å; F332-S334 VanDerWaalsContact C-N 3.26Å; F332-S334 PolarHBondContact O-N 3.29Å; S334-P338 WeakPolarHBondContact O-CD 3.5Å |
| 335 | Q | 88.3 | Confident | 89.5 | Confident | 59 Ų | 59 | 26.7 Ų | 26.7 | 28% | 0.276 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -79 | -39.5 | 178.1 | -68.5 | 170.4 | -12.7 | 0 | 0 | 112.2 | L331 F332 L333 D912 R915 | L331-Q335 WeakPolarHBondContact O-CG 3.3Å; L331-Q335 PolarHBondContact O-N 3.45Å; L331-Q335 VanDerWaalsContact O-N 3.15Å; F332-Q335 WeakPolarHBondContact O-CB 3.35Å; F332-Q335 PolarHBondContact O-N 3.43Å; F332-Q335 VanDerWaalsContact O-N 3.1Å; L333-Q335 VanDerWaalsContact C-N 3.25Å; L333-Q335 PolarHBondContact O-N 2.95Å; Q335-D912 PolarHBondContact NE2-OD2 3.3Å; Q335-R915 PolarHBondContact O-NE 2.91Å; Q335-R915 PolarHBondContact O-NH2 2.7Å |
| 336 | I | 89.1 | Confident | 89.6 | Confident | 51 Ų | 51 | 24.1 Ų | 24.1 | 26% | 0.262 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -93.4 | -19.6 | -178.6 | 61.4 | 177.1 | 0 | 0 | 0 | 113.8 | V278 F332 L333 D339 A340 | V278-I336 HydrophobicContact CG1-CD1 3.48Å; V278-I336 VanDerWaalsContact CG1-CD1 3.48Å; V278-I336 HydrophobicContact CG1-CG1 4.08Å; V278-I336 HydrophobicContact CG2-CD1 4.25Å; V278-I336 HydrophobicContact CG2-CG1 3.91Å; F332-I336 HydrophobicContact CD1-CD1 4.36Å; F332-I336 HydrophobicContact CE1-CD1 3.73Å; F332-I336 HydrophobicContact CE2-CD1 4.06Å; F332-I336 HydrophobicContact CE2-CG2 4.37Å; F332-I336 HydrophobicContact CZ-CD1 3.56Å; F332-I336 PolarHBondContact O-N 3.42Å; L333-I336 HydrophobicContact CD2-CD1 4.34Å; I336-D339 PolarHBondContact O-N 2.73Å; I336-A340 PolarHBondContact O-N 2.97Å |
| 337 | G | 90.8 | Very high | 89.6 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57 | -41.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | G274 L333 D339 A340 L341 | G274-G337 CarbonylContact C-O 3.55Å; G274-G337 WeakPolarHBondContact CA-O 3.43Å; G274-G337 WeakPolarHBondContact O-CA 3.48Å; L333-G337 WeakPolarHBondContact O-CA 3.49Å; L333-G337 PolarHBondContact O-N 3.43Å; G337-D339 VanDerWaalsContact C-N 3.33Å; G337-D339 PolarHBondContact O-N 3.31Å; G337-A340 PolarHBondContact O-N 2.69Å; G337-L341 WeakPolarHBondContact O-CB 3.35Å; G337-L341 PolarHBondContact O-N 2.9Å |
| 338 | P | 90.1 | Very high | 89.7 | Confident | 11 Ų | 11 | 31 Ų | 31 | 7% | 0.071 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -71.5 | -26.7 | -177.3 | -15.5 | 27.9 | 0 | 0 | 0 | 113.8 | S334 L341 M342 E364 R915 | S334-P338 WeakPolarHBondContact O-CD 3.5Å; P338-L341 WeakPolarHBondContact O-CB 3.19Å; P338-L341 PolarHBondContact O-N 2.85Å; P338-M342 PolarHBondContact O-N 2.67Å; P338-E364 VanDerWaalsContact CB-OE1 3.29Å; P338-E364 WeakPolarHBondContact CB-OE1 3.34Å; P338-R915 VanDerWaalsContact CG-CZ 3.46Å |
| 339 | D | 85.1 | Confident | 89.8 | Confident | 51 Ų | 51 | 28.7 Ų | 28.7 | 27% | 0.273 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -71.5 | -43.1 | 174.1 | 167.3 | 54.4 | 0 | 0 | 0 | 110.9 | I336 G337 L341 M342 R343 | I336-D339 PolarHBondContact O-N 2.73Å; G337-D339 VanDerWaalsContact C-N 3.33Å; G337-D339 PolarHBondContact O-N 3.31Å; D339-L341 VanDerWaalsContact C-N 3.3Å; D339-L341 PolarHBondContact O-N 3.27Å; D339-M342 PolarHBondContact O-N 3.42Å; D339-R343 PolarHBondContact O-N 2.85Å; D339-R343 IonicContact OD1-NH1 3.98Å; D339-R343 PolarHBondContact OD1-NH1 2.92Å; D339-R343 IonicContact OD2-CZ 2.69Å; D339-R343 IonicContact OD2-NH1 3.07Å; D339-R343 PolarHBondContact OD2-NH1 3.24Å |
| 340 | A | 89.1 | Confident | 89.8 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58 | -42 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q277 V278 I336 G337 R343 M344 | Q277-A340 HydrophobicContact CB-CB 4.41Å; Q277-A340 HydrophobicContact CG-CB 4.18Å; V278-A340 HydrophobicContact CG2-CB 3.62Å; I336-A340 PolarHBondContact O-N 2.97Å; G337-A340 PolarHBondContact O-N 2.69Å; A340-R343 PolarHBondContact O-N 2.98Å; A340-M344 WeakPolarHBondContact O-CB 3.49Å; A340-M344 PolarHBondContact O-N 2.8Å |
| 341 | L | 90.9 | Very high | 89.7 | Confident | 8 Ų | 8 | 36.2 Ų | 36.2 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.2 | -43.9 | 175.9 | -175.4 | 65.6 | 0 | 0 | 0 | 112 | I270 V273 G337 P338 D339 M344 I345 I360 | I270-L341 HydrophobicContact CD1-CD1 4.05Å; I270-L341 HydrophobicContact CG1-CD1 4.36Å; I270-L341 HydrophobicContact CG1-CD2 3.91Å; V273-L341 HydrophobicContact CG1-CD1 4.19Å; G337-L341 WeakPolarHBondContact O-CB 3.35Å; G337-L341 PolarHBondContact O-N 2.9Å; P338-L341 WeakPolarHBondContact O-CB 3.19Å; P338-L341 PolarHBondContact O-N 2.85Å; D339-L341 VanDerWaalsContact C-N 3.3Å; D339-L341 PolarHBondContact O-N 3.27Å; L341-M344 HydrophobicContact CD1-CE 3.53Å; L341-M344 HydrophobicContact CD1-SD 4.37Å; L341-M344 WeakPolarHBondContact O-CB 3.48Å; L341-M344 PolarHBondContact O-N 2.88Å; L341-I345 HydrophobicContact CD1-CD1 4.26Å; L341-I345 HydrophobicContact CG-CD1 3.98Å; L341-I345 VanDerWaalsContact O-CG1 3.25Å; L341-I345 WeakPolarHBondContact O-CG1 3.48Å; L341-I345 PolarHBondContact O-N 3.23Å; L341-I360 HydrophobicContact CD2-CD1 4.16Å; L341-I360 HydrophobicContact CD2-CG2 3.77Å; L341-I360 HydrophobicContact CG-CG2 4.02Å |
| 342 | M | 91.2 | Very high | 89.9 | Confident | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.02 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.8 | -46.5 | 175.4 | 171.4 | -176 | 66.1 | 0 | 0 | 111.3 | P338 D339 M344 I345 L346 I361 E364 L412 | P338-M342 PolarHBondContact O-N 2.67Å; D339-M342 PolarHBondContact O-N 3.42Å; M342-M344 VanDerWaalsContact C-N 3.33Å; M342-M344 PolarHBondContact O-N 3.43Å; M342-I345 PolarHBondContact O-N 3.35Å; M342-L346 HydrophobicContact CG-CD1 3.54Å; M342-L346 HydrophobicContact CG-CG 4.04Å; M342-L346 WeakPolarHBondContact O-CB 3.45Å; M342-L346 VanDerWaalsContact O-CG 3.28Å; M342-L346 WeakPolarHBondContact O-CG 3.33Å; M342-L346 PolarHBondContact O-N 2.97Å; M342-L346 HydrophobicContact SD-CD1 4.12Å; M342-I361 HydrophobicContact CG-CG1 4.44Å; M342-E364 HydrophobicContact CB-CB 4.27Å; M342-E364 HydrophobicContact CB-CG 3.73Å; M342-E364 HydrophobicContact CE-CB 4.14Å; M342-E364 HydrophobicContact CG-CB 4.28Å; M342-E364 HydrophobicContact CG-CG 4.27Å; M342-E364 HydrophobicContact SD-CB 3.34Å; M342-E364 WeakPolarHBondContact SD-CB 3.27Å; M342-E364 HydrophobicContact SD-CG 3.92Å; M342-L412 HydrophobicContact CE-CD1 4.45Å |
| 343 | R | 89.8 | Confident | 90.1 | Very high | 37 Ų | 37 | 39.2 Ų | 39.2 | 14% | 0.14 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.2 | -44.6 | 176 | -72.3 | -165.8 | -62.6 | -88.3 | 1.1 | 112.1 | E281 D339 A340 I345 L346 R347 F388 | E281-R343 IonicContact OE2-CZ 3.63Å; E281-R343 IonicContact OE2-NE 3.52Å; E281-R343 PolarHBondContact OE2-NE 2.67Å; E281-R343 IonicContact OE2-NH2 2.66Å; E281-R343 PolarHBondContact OE2-NH2 2.89Å; D339-R343 PolarHBondContact O-N 2.85Å; D339-R343 IonicContact OD1-NH1 3.98Å; D339-R343 PolarHBondContact OD1-NH1 2.92Å; D339-R343 IonicContact OD2-CZ 2.69Å; D339-R343 IonicContact OD2-NH1 3.07Å; D339-R343 PolarHBondContact OD2-NH1 3.24Å; A340-R343 PolarHBondContact O-N 2.98Å; R343-I345 VanDerWaalsContact C-N 3.28Å; R343-I345 PolarHBondContact O-N 3.15Å; R343-L346 PolarHBondContact O-N 3.28Å; R343-R347 WeakPolarHBondContact O-CG 3.49Å; R343-R347 PolarHBondContact O-N 3.31Å; R343-F388 HydrophobicContact CB-CE2 4.35Å; R343-F388 VanDerWaalsContact CD-CE2 3.5Å; R343-F388 HydrophobicContact CG-CD2 4.05Å; R343-F388 HydrophobicContact CG-CE2 3.62Å; R343-F388 HydrophobicContact CG-CZ 4.17Å |
| 344 | M | 90.2 | Very high | 90 | Very high | 21 Ų | 21 | 42.2 Ų | 42.2 | 10% | 0.103 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.4 | -43.7 | 176.3 | -173.8 | -166.9 | 86.8 | 0 | 0 | 111.7 | V273 Q277 V293 A340 L341 M342 | V273-M344 HydrophobicContact CG1-CE 4.19Å; V273-M344 HydrophobicContact CG1-SD 4.31Å; Q277-M344 HydrophobicContact CB-SD 4.46Å; Q277-M344 HydrophobicContact CG-CB 4.16Å; Q277-M344 HydrophobicContact CG-CG 4.37Å; Q277-M344 HydrophobicContact CG-SD 4.06Å; V293-M344 HydrophobicContact CB-CG 4.35Å; V293-M344 HydrophobicContact CG1-CE 4.49Å; V293-M344 HydrophobicContact CG1-CG 3.62Å; V293-M344 HydrophobicContact CG1-SD 3.62Å; V293-M344 HydrophobicContact CG2-CG 4.05Å; A340-M344 WeakPolarHBondContact O-CB 3.49Å; A340-M344 PolarHBondContact O-N 2.8Å; L341-M344 HydrophobicContact CD1-CE 3.53Å; L341-M344 HydrophobicContact CD1-SD 4.37Å; L341-M344 WeakPolarHBondContact O-CB 3.48Å; L341-M344 PolarHBondContact O-N 2.88Å; M342-M344 VanDerWaalsContact C-N 3.33Å; M342-M344 PolarHBondContact O-N 3.43Å |
| 345 | I | 91.2 | Very high | 90 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72.5 | -42.3 | 178.8 | -65.5 | 167.3 | 0 | 0 | 0 | 111.6 | L341 M342 R343 R347 K348 D357 I360 I361 | L341-I345 HydrophobicContact CD1-CD1 4.26Å; L341-I345 HydrophobicContact CG-CD1 3.98Å; L341-I345 VanDerWaalsContact O-CG1 3.25Å; L341-I345 WeakPolarHBondContact O-CG1 3.48Å; L341-I345 PolarHBondContact O-N 3.23Å; M342-I345 PolarHBondContact O-N 3.35Å; R343-I345 VanDerWaalsContact C-N 3.28Å; R343-I345 PolarHBondContact O-N 3.15Å; I345-R347 PolarHBondContact O-N 3.05Å; I345-K348 WeakPolarHBondContact O-CB 3.5Å; I345-K348 WeakPolarHBondContact O-CG 3.32Å; I345-K348 PolarHBondContact O-N 3.27Å; I345-D357 HydrophobicContact CG2-CB 3.46Å; I345-D357 VanDerWaalsContact CG2-CB 3.46Å; I345-I360 HydrophobicContact CD1-CB 3.87Å; I345-I360 HydrophobicContact CD1-CD1 3.72Å; I345-I360 HydrophobicContact CD1-CG1 4.42Å; I345-I360 HydrophobicContact CD1-CG2 3.64Å; I345-I361 HydrophobicContact CG2-CD1 3.71Å; I345-I361 HydrophobicContact CG2-CG1 4.03Å |
| 346 | L | 91.9 | Very high | 89.9 | Confident | 5 Ų | 5 | 49.6 Ų | 49.6 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.8 | -18.6 | -177.8 | -73.8 | 171.3 | 0 | 0 | 0 | 113.6 | M342 R343 K348 R353 I361 L386 F388 L460 | M342-L346 HydrophobicContact CG-CD1 3.54Å; M342-L346 HydrophobicContact CG-CG 4.04Å; M342-L346 WeakPolarHBondContact O-CB 3.45Å; M342-L346 VanDerWaalsContact O-CG 3.28Å; M342-L346 WeakPolarHBondContact O-CG 3.33Å; M342-L346 PolarHBondContact O-N 2.97Å; M342-L346 HydrophobicContact SD-CD1 4.12Å; R343-L346 PolarHBondContact O-N 3.28Å; L346-K348 PolarHBondContact O-N 3.09Å; L346-R353 PolarHBondContact O-NH2 3.2Å; L346-I361 HydrophobicContact CD2-CD1 3.67Å; L346-I361 HydrophobicContact CD2-CG1 4.06Å; L346-I361 HydrophobicContact CD2-CG2 4.18Å; L346-I361 HydrophobicContact CG-CD1 4.22Å; L346-I361 HydrophobicContact CG-CG1 4.24Å; L346-L386 HydrophobicContact CD2-CB 4.02Å; L346-L386 WeakPolarHBondContact CD2-O 3.44Å; L346-F388 HydrophobicContact CB-CB 3.58Å; L346-F388 HydrophobicContact CD1-CB 4.34Å; L346-L460 HydrophobicContact CD1-CD2 3.4Å; L346-L460 VanDerWaalsContact CD1-CD2 3.4Å |
| 347 | R | 88.9 | Confident | 90 | Very high | 110 Ų | 110 | 47.7 Ų | 47.7 | 42% | 0.415 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -18.6 | 168.3 | -71.8 | 177.5 | -174.1 | 118.2 | -1.4 | 112.9 | E281 R343 I345 F388 | E281-R347 IonicContact OE1-CZ 3.74Å; E281-R347 IonicContact OE1-NH1 3.92Å; E281-R347 PolarHBondContact OE1-NH1 3.48Å; E281-R347 IonicContact OE1-NH2 2.86Å; R343-R347 WeakPolarHBondContact O-CG 3.49Å; R343-R347 PolarHBondContact O-N 3.31Å; I345-R347 PolarHBondContact O-N 3.05Å; R347-F388 HydrophobicContact CG-CD1 4.24Å |
| 348 | K | 89.3 | Confident | 90 | Very high | 70 Ų | 70 | 50.5 Ų | 50.5 | 30% | 0.304 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -72.1 | 139.9 | 170.4 | -59.4 | 172.5 | 179.7 | 172.8 | 0 | 109.9 | I345 L346 R353 D357 | I345-K348 WeakPolarHBondContact O-CB 3.5Å; I345-K348 WeakPolarHBondContact O-CG 3.32Å; I345-K348 PolarHBondContact O-N 3.27Å; L346-K348 PolarHBondContact O-N 3.09Å; K348-R353 HydrophobicContact CB-CG 4.36Å; K348-R353 PolarHBondContact O-NE 2.63Å; K348-R353 PolarHBondContact O-NH2 3.08Å; K348-R353 VanDerWaalsContact O-NH2 3.13Å; K348-D357 IonicContact NZ-OD1 3.61Å; K348-D357 PolarHBondContact NZ-OD1 3.15Å; K348-D357 IonicContact NZ-OD2 3.67Å; K348-D357 PolarHBondContact NZ-OD2 3.03Å |
| 349 | P | 88.8 | Confident | 89.9 | Confident | 58 Ų | 58 | 54.2 Ų | 54.2 | 38% | 0.377 | 29% | 0.29 | S | S | . | . | trans | -53.5 | 144.4 | 168.3 | -23.5 | 32.8 | 0 | 0 | 0 | 111.5 | S351 E352 | P349-S351 PolarHBondContact O-N 3.4Å; P349-E352 HydrophobicContact CB-CG 4.33Å; P349-E352 WeakPolarHBondContact CD-OE2 3.34Å; P349-E352 HydrophobicContact CG-CG 4.34Å; P349-E352 PolarHBondContact O-N 2.85Å | ||
| 350 | P | 90.1 | Very high | 90 | Very high | 56 Ų | 56 | 53 Ų | 53 | 36% | 0.364 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -43 | -42.3 | 175.1 | -37.4 | 40.9 | 0 | 0 | 0 | 114.9 | E352 R353 G384 | P350-E352 VanDerWaalsContact C-N 3.29Å; P350-E352 PolarHBondContact O-N 2.69Å; P350-R353 PolarHBondContact O-N 2.88Å; P350-G384 VanDerWaalsContact CB-O 3.29Å; P350-G384 WeakPolarHBondContact CB-O 3.38Å |
| 351 | S | 89.3 | Confident | 90.1 | Very high | 114 Ų | 114 | 53 Ų | 53 | 80% | 0.797 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -70.6 | -17.8 | -178.3 | 54.4 | 0 | 0 | 0 | 0 | 115.2 | P349 | P349-S351 PolarHBondContact O-N 3.4Š|
| 352 | E | 91.6 | Very high | 90.1 | Very high | 127 Ų | 127 | 53.8 Ų | 53.8 | 59% | 0.593 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -100.5 | -0.1 | -176.5 | -64.1 | -176.2 | -178.9 | 0 | 0 | 112.9 | P349 P350 T354 | P349-E352 HydrophobicContact CB-CG 4.33Å; P349-E352 WeakPolarHBondContact CD-OE2 3.34Å; P349-E352 HydrophobicContact CG-CG 4.34Å; P349-E352 PolarHBondContact O-N 2.85Å; P350-E352 VanDerWaalsContact C-N 3.29Å; P350-E352 PolarHBondContact O-N 2.69Å; E352-T354 PolarHBondContact O-N 2.99Å |
| 353 | R | 93.2 | Very high | 89.9 | Confident | 21 Ų | 21 | 56.4 Ų | 56.4 | 8% | 0.079 | 30% | 0.298 | C | S | . | . | trans | -75.2 | 126.6 | 179.4 | -65.1 | 176.5 | -172.6 | 169.3 | 5.6 | 110.3 | L346 K348 P350 D357 L358 A383 L386 | L346-R353 PolarHBondContact O-NH2 3.2Å; K348-R353 HydrophobicContact CB-CG 4.36Å; K348-R353 PolarHBondContact O-NE 2.63Å; K348-R353 PolarHBondContact O-NH2 3.08Å; K348-R353 VanDerWaalsContact O-NH2 3.13Å; P350-R353 PolarHBondContact O-N 2.88Å; R353-D357 HydrophobicContact CB-CB 4.15Å; R353-L358 HydrophobicContact CB-CD2 3.85Å; R353-L358 HydrophobicContact CB-CG 4.29Å; R353-A383 PolarHBondContact NH1-O 3.12Å; R353-L386 PolarHBondContact NH1-O 3.38Å; R353-L386 PolarHBondContact NH2-O 3.46Å | ||
| 354 | T | 92.1 | Very high | 89.8 | Confident | 63 Ų | 63 | 55.1 Ų | 55.1 | 39% | 0.387 | 29% | 0.293 | S | S | . | . | trans | -76.6 | 163.5 | 173.8 | 65 | 0 | 0 | 0 | 0 | 111.1 | E352 D356 D357 L358 | E352-T354 PolarHBondContact O-N 2.99Å; T354-D356 PolarHBondContact O-N 3.41Å; T354-D357 WeakPolarHBondContact CB-OD2 3.42Å; T354-D357 PolarHBondContact N-OD2 3.13Å; T354-D357 VanDerWaalsContact O-CB 3.31Å; T354-D357 WeakPolarHBondContact O-CB 3.37Å; T354-D357 PolarHBondContact O-N 3.41Å; T354-D357 VanDerWaalsContact O-N 3.08Å; T354-D357 PolarHBondContact OG1-N 3.3Å; T354-D357 PolarHBondContact OG1-OD2 3.06Å; T354-L358 WeakPolarHBondContact O-CG 3.04Å; T354-L358 PolarHBondContact O-N 2.92Å | ||
| 355 | P | 88.9 | Confident | 89.7 | Confident | 107 Ų | 107 | 54.1 Ų | 54.1 | 70% | 0.695 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -56.1 | -36.2 | 174.4 | -26.5 | 35.9 | 0 | 0 | 0 | 113.5 | L358 E359 | P355-L358 PolarHBondContact O-N 3.1Å; P355-E359 PolarHBondContact O-N 3.3Å; P355-E359 VanDerWaalsContact O-N 3.1Å |
| 356 | D | 86.8 | Confident | 89.3 | Confident | 125 Ų | 125 | 58 Ų | 58 | 67% | 0.668 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -68.4 | -38.4 | 176.5 | -64.6 | -18.1 | 0 | 0 | 0 | 111.4 | T354 L358 E359 I360 | T354-D356 PolarHBondContact O-N 3.41Å; D356-L358 VanDerWaalsContact C-N 3.32Å; D356-L358 PolarHBondContact O-N 3.36Å; D356-E359 PolarHBondContact O-N 3.29Å; D356-I360 WeakPolarHBondContact O-CD1 3.44Å; D356-I360 VanDerWaalsContact O-CG1 3.27Å; D356-I360 WeakPolarHBondContact O-CG1 3.38Å; D356-I360 PolarHBondContact O-N 3.47Å; D356-I360 VanDerWaalsContact O-N 3.08Å |
| 357 | D | 90.1 | Very high | 88.9 | Confident | 12 Ų | 12 | 61.4 Ų | 61.4 | 6% | 0.064 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.5 | -44.2 | 173.9 | -70.9 | -47 | 0 | 0 | 0 | 111.2 | I345 K348 R353 T354 I360 I361 | I345-D357 HydrophobicContact CG2-CB 3.46Å; I345-D357 VanDerWaalsContact CG2-CB 3.46Å; K348-D357 IonicContact NZ-OD1 3.61Å; K348-D357 PolarHBondContact NZ-OD1 3.15Å; K348-D357 IonicContact NZ-OD2 3.67Å; K348-D357 PolarHBondContact NZ-OD2 3.03Å; R353-D357 HydrophobicContact CB-CB 4.15Å; T354-D357 WeakPolarHBondContact CB-OD2 3.42Å; T354-D357 PolarHBondContact N-OD2 3.13Å; T354-D357 VanDerWaalsContact O-CB 3.31Å; T354-D357 WeakPolarHBondContact O-CB 3.37Å; T354-D357 PolarHBondContact O-N 3.41Å; T354-D357 VanDerWaalsContact O-N 3.08Å; T354-D357 PolarHBondContact OG1-N 3.3Å; T354-D357 PolarHBondContact OG1-OD2 3.06Å; D357-I360 PolarHBondContact O-N 3.35Å; D357-I361 WeakPolarHBondContact O-CG1 3.25Å; D357-I361 PolarHBondContact O-N 2.93Å |
| 358 | L | 91 | Very high | 88.6 | Confident | 59 Ų | 59 | 57.3 Ų | 57.3 | 31% | 0.309 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.4 | -40 | 179.9 | -63.1 | 178.8 | 0 | 0 | 0 | 112.2 | R353 T354 P355 D356 I361 Y362 A383 | R353-L358 HydrophobicContact CB-CD2 3.85Å; R353-L358 HydrophobicContact CB-CG 4.29Å; T354-L358 WeakPolarHBondContact O-CG 3.04Å; T354-L358 PolarHBondContact O-N 2.92Å; P355-L358 PolarHBondContact O-N 3.1Å; D356-L358 VanDerWaalsContact C-N 3.32Å; D356-L358 PolarHBondContact O-N 3.36Å; L358-I361 PolarHBondContact O-N 2.82Å; L358-Y362 VanDerWaalsContact O-CB 3.27Å; L358-Y362 WeakPolarHBondContact O-CB 3.45Å; L358-Y362 PolarHBondContact O-N 3.38Å; L358-A383 WeakPolarHBondContact CD2-O 3.45Å |
| 359 | E | 88.3 | Confident | 88 | Confident | 90 Ų | 90 | 60.1 Ų | 60.1 | 42% | 0.421 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 177 | -170.3 | 66.5 | -173.9 | 0 | 0 | 111.1 | P355 D356 Y362 E363 | P355-E359 PolarHBondContact O-N 3.3Å; P355-E359 VanDerWaalsContact O-N 3.1Å; D356-E359 PolarHBondContact O-N 3.29Å; E359-Y362 PolarHBondContact O-N 2.96Å; E359-E363 WeakPolarHBondContact O-CG 3.46Å; E359-E363 PolarHBondContact O-N 2.92Å |
| 360 | I | 88.1 | Confident | 87.4 | Confident | 25 Ų | 25 | 57.9 Ų | 57.9 | 13% | 0.128 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.2 | -46.8 | 176.9 | -66.8 | 159.6 | 0 | 0 | 0 | 111 | I270 L341 I345 D356 D357 Y362 E363 E364 | I270-I360 HydrophobicContact CD1-CD1 4.48Å; I270-I360 HydrophobicContact CG1-CD1 3.86Å; L341-I360 HydrophobicContact CD2-CD1 4.16Å; L341-I360 HydrophobicContact CD2-CG2 3.77Å; L341-I360 HydrophobicContact CG-CG2 4.02Å; I345-I360 HydrophobicContact CD1-CB 3.87Å; I345-I360 HydrophobicContact CD1-CD1 3.72Å; I345-I360 HydrophobicContact CD1-CG1 4.42Å; I345-I360 HydrophobicContact CD1-CG2 3.64Å; D356-I360 WeakPolarHBondContact O-CD1 3.44Å; D356-I360 VanDerWaalsContact O-CG1 3.27Å; D356-I360 WeakPolarHBondContact O-CG1 3.38Å; D356-I360 PolarHBondContact O-N 3.47Å; D356-I360 VanDerWaalsContact O-N 3.08Å; D357-I360 PolarHBondContact O-N 3.35Å; I360-Y362 VanDerWaalsContact C-N 3.35Å; I360-Y362 PolarHBondContact O-N 3.45Å; I360-E363 PolarHBondContact O-N 3.32Å; I360-E364 PolarHBondContact O-N 2.95Å |
| 361 | I | 90.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.1 | -50.8 | 175.9 | -65.7 | 162.3 | 0 | 0 | 0 | 109.2 | M342 I345 L346 D357 L358 E363 E364 L365 A383 | M342-I361 HydrophobicContact CG-CG1 4.44Å; I345-I361 HydrophobicContact CG2-CD1 3.71Å; I345-I361 HydrophobicContact CG2-CG1 4.03Å; L346-I361 HydrophobicContact CD2-CD1 3.67Å; L346-I361 HydrophobicContact CD2-CG1 4.06Å; L346-I361 HydrophobicContact CD2-CG2 4.18Å; L346-I361 HydrophobicContact CG-CD1 4.22Å; L346-I361 HydrophobicContact CG-CG1 4.24Å; D357-I361 WeakPolarHBondContact O-CG1 3.25Å; D357-I361 PolarHBondContact O-N 2.93Å; L358-I361 PolarHBondContact O-N 2.82Å; I361-E363 VanDerWaalsContact C-N 3.32Å; I361-E363 PolarHBondContact O-N 2.97Å; I361-E364 WeakPolarHBondContact O-CB 3.23Å; I361-E364 PolarHBondContact O-N 2.92Å; I361-L365 HydrophobicContact CG2-CD1 4.21Å; I361-L365 HydrophobicContact CG2-CD2 4.15Å; I361-L365 HydrophobicContact CG2-CG 4.05Å; I361-L365 VanDerWaalsContact O-CG 3.32Å; I361-L365 WeakPolarHBondContact O-CG 3.38Å; I361-L365 PolarHBondContact O-N 2.93Å; I361-A383 HydrophobicContact CB-CB 3.98Å; I361-A383 HydrophobicContact CG2-CB 3.71Å |
| 362 | Y | 90.4 | Very high | 86.5 | Confident | 25 Ų | 25 | 52.8 Ų | 52.8 | 10% | 0.098 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55.7 | -43.2 | -179.7 | 167.8 | -101.5 | 0 | 0 | 0 | 112.7 | L358 E359 I360 E364 L365 L366 T376 K379 R380 | L358-Y362 VanDerWaalsContact O-CB 3.27Å; L358-Y362 WeakPolarHBondContact O-CB 3.45Å; L358-Y362 PolarHBondContact O-N 3.38Å; E359-Y362 PolarHBondContact O-N 2.96Å; I360-Y362 VanDerWaalsContact C-N 3.35Å; I360-Y362 PolarHBondContact O-N 3.45Å; Y362-E364 VanDerWaalsContact C-N 3.29Å; Y362-E364 PolarHBondContact O-N 3.32Å; Y362-L365 PolarHBondContact O-N 3.39Å; Y362-L366 HydrophobicContact CE1-CD1 4.14Å; Y362-L366 HydrophobicContact CE2-CD2 4.2Å; Y362-L366 PolarHBondContact O-N 3.49Å; Y362-T376 HydrophobicContact CE2-CG2 4.17Å; Y362-T376 WeakPolarHBondContact OH-CG2 3.44Å; Y362-K379 HydrophobicContact CD2-CB 4Å; Y362-K379 HydrophobicContact CE2-CB 3.9Å; Y362-R380 HydrophobicContact CD2-CB 4.46Å; Y362-R380 HydrophobicContact CD2-CG 3.55Å; Y362-R380 HydrophobicContact CE2-CG 3.7Å; Y362-R380 HydrophobicContact CG-CG 4.1Å |
| 363 | E | 86.4 | Confident | 85.6 | Confident | 59 Ų | 59 | 50.4 Ų | 50.4 | 28% | 0.276 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -56.9 | -41.7 | 175 | -76.3 | -169 | 173.1 | 0 | 0 | 111.9 | E359 I360 I361 L366 H367 R918 | E359-E363 WeakPolarHBondContact O-CG 3.46Å; E359-E363 PolarHBondContact O-N 2.92Å; I360-E363 PolarHBondContact O-N 3.32Å; I361-E363 VanDerWaalsContact C-N 3.32Å; I361-E363 PolarHBondContact O-N 2.97Å; E363-L366 WeakPolarHBondContact O-CB 3.16Å; E363-L366 PolarHBondContact O-N 3.17Å; E363-H367 PolarHBondContact O-CD2 2.98Å; E363-H367 VanDerWaalsContact O-CD2 3.31Å; E363-R918 IonicContact OE2-CZ 3.75Å; E363-R918 VanDerWaalsContact OE2-CZ 3.28Å; E363-R918 IonicContact OE2-NH1 3.67Å; E363-R918 PolarHBondContact OE2-NH1 3.12Å; E363-R918 IonicContact OE2-NH2 3.97Å; E363-R918 PolarHBondContact OE2-NH2 3.32Å |
| 364 | E | 88.3 | Confident | 84.9 | Confident | 9 Ų | 9 | 51 Ų | 51 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -71.4 | -35.9 | 176.8 | -64.1 | -50.5 | 109 | 0 | 0 | 113 | P338 M342 I360 I361 Y362 L366 H367 R915 | P338-E364 VanDerWaalsContact CB-OE1 3.29Å; P338-E364 WeakPolarHBondContact CB-OE1 3.34Å; M342-E364 HydrophobicContact CB-CB 4.27Å; M342-E364 HydrophobicContact CB-CG 3.73Å; M342-E364 HydrophobicContact CE-CB 4.14Å; M342-E364 HydrophobicContact CG-CB 4.28Å; M342-E364 HydrophobicContact CG-CG 4.27Å; M342-E364 HydrophobicContact SD-CB 3.34Å; M342-E364 WeakPolarHBondContact SD-CB 3.27Å; M342-E364 HydrophobicContact SD-CG 3.92Å; I360-E364 PolarHBondContact O-N 2.95Å; I361-E364 WeakPolarHBondContact O-CB 3.23Å; I361-E364 PolarHBondContact O-N 2.92Å; Y362-E364 VanDerWaalsContact C-N 3.29Å; Y362-E364 PolarHBondContact O-N 3.32Å; E364-L366 PolarHBondContact O-N 3.35Å; E364-L366 VanDerWaalsContact O-N 3.16Å; E364-H367 WeakPolarHBondContact O-CB 3.43Å; E364-H367 PolarHBondContact O-N 3.43Å; E364-R915 IonicContact OE1-CZ 3.08Å; E364-R915 IonicContact OE1-NH1 2.86Å; E364-R915 PolarHBondContact OE1-NH1 3.03Å; E364-R915 IonicContact OE1-NH2 2.72Å; E364-R915 IonicContact OE2-CZ 3.31Å; E364-R915 IonicContact OE2-NH1 2.81Å; E364-R915 PolarHBondContact OE2-NH1 3.29Å; E364-R915 IonicContact OE2-NH2 3.2Å; E364-R915 PolarHBondContact OE2-NH2 3.39Å |
| 365 | L | 88.6 | Confident | 84.2 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.2 | -25.9 | 177.5 | -59.3 | -172.4 | 0 | 0 | 0 | 112.5 | I361 Y362 H367 I368 L371 K379 L382 A383 L386 L460 | I361-L365 HydrophobicContact CG2-CD1 4.21Å; I361-L365 HydrophobicContact CG2-CD2 4.15Å; I361-L365 HydrophobicContact CG2-CG 4.05Å; I361-L365 VanDerWaalsContact O-CG 3.32Å; I361-L365 WeakPolarHBondContact O-CG 3.38Å; I361-L365 PolarHBondContact O-N 2.93Å; Y362-L365 PolarHBondContact O-N 3.39Å; L365-H367 PolarHBondContact O-N 3.39Å; L365-I368 HydrophobicContact CD2-CD1 3.81Å; L365-I368 PolarHBondContact O-N 3.35Å; L365-L371 HydrophobicContact CB-CD1 3.89Å; L365-L371 HydrophobicContact CD1-CD1 4.3Å; L365-L371 HydrophobicContact CD2-CD1 3.67Å; L365-L371 HydrophobicContact CG-CD1 4.12Å; L365-K379 VanDerWaalsContact CD1-O 3.29Å; L365-K379 WeakPolarHBondContact CD1-O 3.33Å; L365-L382 HydrophobicContact CD1-CB 4.07Å; L365-A383 HydrophobicContact CD1-CB 4.22Å; L365-L386 HydrophobicContact CD1-CD1 3.59Å; L365-L386 HydrophobicContact CD2-CD1 3.49Å; L365-L386 VanDerWaalsContact CD2-CD1 3.49Å; L365-L386 HydrophobicContact CG-CD1 4.17Å; L365-L460 HydrophobicContact CD2-CD1 4.33Å |
| 366 | L | 82.6 | Confident | 83.7 | Confident | 82 Ų | 82 | 47 Ų | 47 | 43% | 0.429 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -19.9 | 173.8 | -62.9 | 175.5 | 0 | 0 | 0 | 112.9 | Y362 E363 E364 K379 | Y362-L366 HydrophobicContact CE1-CD1 4.14Å; Y362-L366 HydrophobicContact CE2-CD2 4.2Å; Y362-L366 PolarHBondContact O-N 3.49Å; E363-L366 WeakPolarHBondContact O-CB 3.16Å; E363-L366 PolarHBondContact O-N 3.17Å; E364-L366 PolarHBondContact O-N 3.35Å; E364-L366 VanDerWaalsContact O-N 3.16Å; L366-K379 HydrophobicContact CD2-CD 4.05Å |
| 367 | H | 83.5 | Confident | 83.4 | Confident | 78 Ų | 78 | 41.9 Ų | 41.9 | 36% | 0.361 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -8.4 | -179.3 | -57.9 | -51.9 | 0 | 0 | 0 | 113.3 | E363 E364 L365 K369 | E363-H367 PolarHBondContact O-CD2 2.98Å; E363-H367 VanDerWaalsContact O-CD2 3.31Å; E364-H367 WeakPolarHBondContact O-CB 3.43Å; E364-H367 PolarHBondContact O-N 3.43Å; L365-H367 PolarHBondContact O-N 3.39Å; H367-K369 PolarHBondContact O-N 3.34Å |
| 368 | I | 83.6 | Confident | 83.1 | Confident | 23 Ų | 23 | 42.4 Ų | 42.4 | 12% | 0.118 | 22% | 0.22 | C | C | . | . | trans | -84.8 | 112.7 | 177.9 | -58.3 | -178.7 | 0 | 0 | 0 | 109.7 | L365 A370 L371 S372 I410 L412 L460 | L365-I368 HydrophobicContact CD2-CD1 3.81Å; L365-I368 PolarHBondContact O-N 3.35Å; I368-A370 VanDerWaalsContact C-N 3.33Å; I368-A370 HydrophobicContact CG2-CB 4.24Å; I368-A370 PolarHBondContact O-N 3.01Å; I368-L371 HydrophobicContact CB-CB 4.48Å; I368-L371 HydrophobicContact CB-CD1 4.1Å; I368-L371 HydrophobicContact CB-CG 4.2Å; I368-L371 HydrophobicContact CD1-CD1 4.25Å; I368-L371 HydrophobicContact CG2-CD1 4.21Å; I368-L371 HydrophobicContact CG2-CG 3.98Å; I368-L371 PolarHBondContact O-N 2.84Å; I368-S372 PolarHBondContact O-N 3.48Å; I368-I410 HydrophobicContact CG2-CG2 4.12Å; I368-L412 HydrophobicContact CD1-CD2 4.16Å; I368-L460 HydrophobicContact CD1-CD1 3.5Å | ||
| 369 | K | 75.4 | Confident | 82.9 | Confident | 130 Ų | 130 | 40.6 Ų | 40.6 | 57% | 0.565 | 21% | 0.209 | S | C | * | . | G | 310 helix | trans | -56.8 | -41.3 | -176.8 | -72.4 | -175.6 | 175.3 | -179.5 | 0 | 113.4 | T110 H367 L371 S372 | T110-K369 VanDerWaalsContact CB-NZ 3.27Å; T110-K369 PolarHBondContact OG1-NZ 3.38Å; H367-K369 PolarHBondContact O-N 3.34Å; K369-L371 PolarHBondContact O-N 3.02Å; K369-L371 VanDerWaalsContact O-N 3.07Å; K369-S372 VanDerWaalsContact O-CB 3.31Å; K369-S372 WeakPolarHBondContact O-CB 3.25Å; K369-S372 PolarHBondContact O-N 2.86Å; K369-S372 PolarHBondContact O-OG 3.38Å |
| 370 | A | 76.9 | Confident | 82.9 | Confident | 10 Ų | 10 | 42.2 Ų | 42.2 | 8% | 0.083 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -55.6 | -27.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I368 H373 I410 D434 | I368-A370 VanDerWaalsContact C-N 3.33Å; I368-A370 HydrophobicContact CG2-CB 4.24Å; I368-A370 PolarHBondContact O-N 3.01Å; A370-H373 PolarHBondContact O-CE1 3.43Å; A370-H373 PolarHBondContact O-ND1 2.91Å; A370-H373 VanDerWaalsContact O-ND1 3.1Å; A370-I410 HydrophobicContact CB-CD1 4.24Å; A370-I410 HydrophobicContact CB-CG1 4.29Å; A370-I410 HydrophobicContact CB-CG2 3.88Å; A370-D434 HydrophobicContact CB-CB 4.14Å |
| 371 | L | 83.3 | Confident | 82.9 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -96.6 | -5.9 | -178.4 | -56.2 | -178.9 | 0 | 0 | 0 | 113.3 | L365 I368 K369 H373 L374 K379 L382 W408 I410 | L365-L371 HydrophobicContact CB-CD1 3.89Å; L365-L371 HydrophobicContact CD1-CD1 4.3Å; L365-L371 HydrophobicContact CD2-CD1 3.67Å; L365-L371 HydrophobicContact CG-CD1 4.12Å; I368-L371 HydrophobicContact CB-CB 4.48Å; I368-L371 HydrophobicContact CB-CD1 4.1Å; I368-L371 HydrophobicContact CB-CG 4.2Å; I368-L371 HydrophobicContact CD1-CD1 4.25Å; I368-L371 HydrophobicContact CG2-CD1 4.21Å; I368-L371 HydrophobicContact CG2-CG 3.98Å; I368-L371 PolarHBondContact O-N 2.84Å; K369-L371 PolarHBondContact O-N 3.02Å; K369-L371 VanDerWaalsContact O-N 3.07Å; L371-H373 VanDerWaalsContact C-N 3.27Å; L371-H373 PolarHBondContact O-N 3.35Å; L371-H373 VanDerWaalsContact O-N 3.16Å; L371-L374 HydrophobicContact CB-CD1 4.33Å; L371-L374 HydrophobicContact CD2-CD1 3.65Å; L371-L374 WeakPolarHBondContact O-CB 3.36Å; L371-L374 PolarHBondContact O-N 3.26Å; L371-K379 WeakPolarHBondContact O-CE 3.45Å; L371-K379 PolarHBondContact O-NZ 3.44Å; L371-L382 HydrophobicContact CD2-CD1 4.04Å; L371-W408 HydrophobicContact CD2-CH2 3.56Å; L371-W408 HydrophobicContact CD2-CZ2 4.43Å; L371-W408 HydrophobicContact CD2-CZ3 4.22Å; L371-I410 HydrophobicContact CD1-CD1 4.38Å; L371-I410 HydrophobicContact CD2-CD1 3.42Å; L371-I410 VanDerWaalsContact CD2-CD1 3.42Å; L371-I410 HydrophobicContact CG-CD1 3.92Å |
| 372 | S | 76 | Confident | 82.9 | Confident | 63 Ų | 63 | 43.8 Ų | 43.8 | 44% | 0.441 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -43.9 | -170.4 | 64.9 | 0 | 0 | 0 | 0 | 113 | I368 K369 L374 K379 | I368-S372 PolarHBondContact O-N 3.48Å; K369-S372 VanDerWaalsContact O-CB 3.31Å; K369-S372 WeakPolarHBondContact O-CB 3.25Å; K369-S372 PolarHBondContact O-N 2.86Å; K369-S372 PolarHBondContact O-OG 3.38Å; S372-L374 VanDerWaalsContact C-N 3.27Å; S372-L374 PolarHBondContact O-N 2.93Å; S372-K379 PolarHBondContact O-NZ 3.46Å |
| 373 | H | 72.6 | Confident | 83 | Confident | 77 Ų | 77 | 42.6 Ų | 42.6 | 36% | 0.356 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -9.6 | -178.5 | 70.7 | -80 | 0 | 0 | 0 | 115.3 | R131 A370 L371 | R131-H373 PolarHBondContact NH2-CD2 3.03Å; R131-H373 PolarHBondContact NH2-CE1 2.99Å; R131-H373 PolarHBondContact NH2-ND1 2.95Å; R131-H373 PolarHBondContact NH2-NE2 3.42Å; A370-H373 PolarHBondContact O-CE1 3.43Å; A370-H373 PolarHBondContact O-ND1 2.91Å; A370-H373 VanDerWaalsContact O-ND1 3.1Å; L371-H373 VanDerWaalsContact C-N 3.27Å; L371-H373 PolarHBondContact O-N 3.35Å; L371-H373 VanDerWaalsContact O-N 3.16Å |
| 374 | L | 79.6 | Confident | 83.2 | Confident | 33 Ų | 33 | 40.9 Ų | 40.9 | 17% | 0.173 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -82.2 | 146 | 179.1 | -56.6 | -179.7 | 0 | 0 | 0 | 111 | L371 S372 V378 K379 L382 W408 | L371-L374 HydrophobicContact CB-CD1 4.33Å; L371-L374 HydrophobicContact CD2-CD1 3.65Å; L371-L374 WeakPolarHBondContact O-CB 3.36Å; L371-L374 PolarHBondContact O-N 3.26Å; S372-L374 VanDerWaalsContact C-N 3.27Å; S372-L374 PolarHBondContact O-N 2.93Å; L374-V378 HydrophobicContact CB-CB 4.29Å; L374-V378 HydrophobicContact CB-CG1 4.07Å; L374-V378 HydrophobicContact CD1-CG1 3.9Å; L374-V378 HydrophobicContact CD2-CG1 4.38Å; L374-V378 HydrophobicContact CG-CG1 4.35Å; L374-K379 HydrophobicContact CB-CG 4.19Å; L374-K379 WeakPolarHBondContact O-CE 3.31Å; L374-K379 PolarHBondContact O-NZ 3.44Å; L374-L382 HydrophobicContact CD1-CD1 3.54Å; L374-W408 HydrophobicContact CD1-CH2 4.33Å |
| 375 | S | 77.1 | Confident | 83.4 | Confident | 40 Ų | 40 | 40.6 Ų | 40.6 | 28% | 0.28 | 21% | 0.211 | S | C | . | . | trans | -63.9 | 159.6 | 176.3 | 73.8 | 0 | 0 | 0 | 0 | 111.5 | T377 V378 K379 | S375-T377 PolarHBondContact O-N 3.25Å; S375-V378 PolarHBondContact O-N 3.3Å; S375-V378 WeakPolarHBondContact OG-CG2 3.32Å; S375-V378 PolarHBondContact OG-N 3.47Å; S375-K379 WeakPolarHBondContact O-CG 3.45Å; S375-K379 PolarHBondContact O-N 3.2Å | ||
| 376 | T | 78.9 | Confident | 83.7 | Confident | 47 Ų | 47 | 40.6 Ų | 40.6 | 29% | 0.288 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -57.7 | -39.8 | 176.8 | -60.6 | 0 | 0 | 0 | 0 | 111.7 | Y362 K379 R380 | Y362-T376 HydrophobicContact CE2-CG2 4.17Å; Y362-T376 WeakPolarHBondContact OH-CG2 3.44Å; T376-K379 PolarHBondContact O-N 2.91Å; T376-R380 PolarHBondContact O-N 2.91Å |
| 377 | T | 79.7 | Confident | 84.2 | Confident | 18 Ų | 18 | 38.8 Ų | 38.8 | 11% | 0.11 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.9 | -49.6 | 177 | -51.5 | 0 | 0 | 0 | 0 | 111.3 | S375 K379 R380 E381 E492 L495 | S375-T377 PolarHBondContact O-N 3.25Å; T377-K379 VanDerWaalsContact C-N 3.33Å; T377-K379 PolarHBondContact O-N 3.29Å; T377-R380 PolarHBondContact O-N 3.1Å; T377-R380 VanDerWaalsContact O-N 3.17Å; T377-E381 WeakPolarHBondContact O-CG 3.34Å; T377-E381 PolarHBondContact O-N 2.98Å; T377-E492 WeakPolarHBondContact CB-OE1 3.28Å; T377-E492 WeakPolarHBondContact CG2-OE1 3.5Å; T377-E492 PolarHBondContact OG1-OE1 2.93Å; T377-E492 PolarHBondContact OG1-OE2 2.94Å; T377-L495 HydrophobicContact CG2-CD1 3.9Å |
| 378 | V | 85.1 | Confident | 84.6 | Confident | 23 Ų | 23 | 36 Ų | 36 | 14% | 0.139 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.8 | -43 | 178.6 | 173.2 | 0 | 0 | 0 | 0 | 111 | L374 S375 R380 E381 L382 I470 V474 | L374-V378 HydrophobicContact CB-CB 4.29Å; L374-V378 HydrophobicContact CB-CG1 4.07Å; L374-V378 HydrophobicContact CD1-CG1 3.9Å; L374-V378 HydrophobicContact CD2-CG1 4.38Å; L374-V378 HydrophobicContact CG-CG1 4.35Å; S375-V378 PolarHBondContact O-N 3.3Å; S375-V378 WeakPolarHBondContact OG-CG2 3.32Å; S375-V378 PolarHBondContact OG-N 3.47Å; V378-R380 VanDerWaalsContact C-N 3.32Å; V378-R380 PolarHBondContact O-N 3.22Å; V378-E381 PolarHBondContact O-N 2.81Å; V378-L382 HydrophobicContact CG1-CD1 3.98Å; V378-L382 HydrophobicContact CG1-CG 4.21Å; V378-L382 WeakPolarHBondContact O-CB 3.28Å; V378-L382 VanDerWaalsContact O-CG 3.24Å; V378-L382 WeakPolarHBondContact O-CG 3.29Å; V378-L382 PolarHBondContact O-N 3.36Å; V378-I470 HydrophobicContact CG1-CG2 4.26Å; V378-I470 HydrophobicContact CG2-CG2 4.43Å; V378-V474 HydrophobicContact CG2-CG2 3.82Å |
| 379 | K | 86.7 | Confident | 85.1 | Confident | 20 Ų | 20 | 36.5 Ų | 36.5 | 9% | 0.087 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.2 | -38.8 | 177.3 | -71.5 | 172.2 | -179.1 | 151.9 | 0 | 112.5 | Y362 L365 L366 L371 S372 L374 S375 T376 T377 L382 A383 | Y362-K379 HydrophobicContact CD2-CB 4Å; Y362-K379 HydrophobicContact CE2-CB 3.9Å; L365-K379 VanDerWaalsContact CD1-O 3.29Å; L365-K379 WeakPolarHBondContact CD1-O 3.33Å; L366-K379 HydrophobicContact CD2-CD 4.05Å; L371-K379 WeakPolarHBondContact O-CE 3.45Å; L371-K379 PolarHBondContact O-NZ 3.44Å; S372-K379 PolarHBondContact O-NZ 3.46Å; L374-K379 HydrophobicContact CB-CG 4.19Å; L374-K379 WeakPolarHBondContact O-CE 3.31Å; L374-K379 PolarHBondContact O-NZ 3.44Å; S375-K379 WeakPolarHBondContact O-CG 3.45Å; S375-K379 PolarHBondContact O-N 3.2Å; T376-K379 PolarHBondContact O-N 2.91Å; T377-K379 VanDerWaalsContact C-N 3.33Å; T377-K379 PolarHBondContact O-N 3.29Å; K379-L382 PolarHBondContact O-N 3.23Å; K379-A383 PolarHBondContact O-N 2.92Å |
| 380 | R | 87.7 | Confident | 85.8 | Confident | 125 Ų | 125 | 33.4 Ų | 33.4 | 47% | 0.472 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -67.8 | -43.2 | 176.1 | -75.2 | -172.8 | 176.6 | 131.8 | -1.1 | 112.6 | Y362 T376 T377 V378 L382 A383 | Y362-R380 HydrophobicContact CD2-CB 4.46Å; Y362-R380 HydrophobicContact CD2-CG 3.55Å; Y362-R380 HydrophobicContact CE2-CG 3.7Å; Y362-R380 HydrophobicContact CG-CG 4.1Å; T376-R380 PolarHBondContact O-N 2.91Å; T377-R380 PolarHBondContact O-N 3.1Å; T377-R380 VanDerWaalsContact O-N 3.17Å; V378-R380 VanDerWaalsContact C-N 3.32Å; V378-R380 PolarHBondContact O-N 3.22Å; R380-L382 VanDerWaalsContact C-N 3.3Å; R380-L382 PolarHBondContact O-N 2.96Å; R380-A383 WeakPolarHBondContact O-CB 3.48Å; R380-A383 PolarHBondContact O-N 2.9Å |
| 381 | E | 88.8 | Confident | 86.5 | Confident | 53 Ų | 53 | 35.1 Ų | 35.1 | 25% | 0.248 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.7 | -41.6 | 174 | -70.1 | -61.8 | 143.5 | 0 | 0 | 111.2 | T377 V378 A383 G384 V385 I470 | T377-E381 WeakPolarHBondContact O-CG 3.34Å; T377-E381 PolarHBondContact O-N 2.98Å; V378-E381 PolarHBondContact O-N 2.81Å; E381-A383 VanDerWaalsContact C-N 3.33Å; E381-A383 PolarHBondContact O-N 3.43Å; E381-G384 WeakPolarHBondContact O-CA 3.28Å; E381-G384 PolarHBondContact O-N 2.92Å; E381-V385 PolarHBondContact O-N 2.8Å; E381-I470 HydrophobicContact CB-CD1 3.96Å; E381-I470 HydrophobicContact CB-CG1 3.92Å; E381-I470 HydrophobicContact CB-CG2 4.04Å |
| 382 | L | 90.6 | Very high | 86.6 | Confident | 5 Ų | 5 | 41.2 Ų | 41.2 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.7 | -41.6 | 174.9 | -76.5 | 176.4 | 0 | 0 | 0 | 112.3 | L365 L371 L374 V378 K379 R380 G384 V385 L386 V462 I470 | L365-L382 HydrophobicContact CD1-CB 4.07Å; L371-L382 HydrophobicContact CD2-CD1 4.04Å; L374-L382 HydrophobicContact CD1-CD1 3.54Å; V378-L382 HydrophobicContact CG1-CD1 3.98Å; V378-L382 HydrophobicContact CG1-CG 4.21Å; V378-L382 WeakPolarHBondContact O-CB 3.28Å; V378-L382 VanDerWaalsContact O-CG 3.24Å; V378-L382 WeakPolarHBondContact O-CG 3.29Å; V378-L382 PolarHBondContact O-N 3.36Å; K379-L382 PolarHBondContact O-N 3.23Å; R380-L382 VanDerWaalsContact C-N 3.3Å; R380-L382 PolarHBondContact O-N 2.96Å; L382-G384 PolarHBondContact O-N 3.26Å; L382-G384 VanDerWaalsContact O-N 3.14Å; L382-V385 HydrophobicContact CD2-CG2 4.27Å; L382-V385 PolarHBondContact O-N 3.32Å; L382-L386 HydrophobicContact CB-CD1 3.97Å; L382-L386 HydrophobicContact CB-CG 4.18Å; L382-L386 WeakPolarHBondContact O-CB 3.31Å; L382-L386 WeakPolarHBondContact O-CD1 3.19Å; L382-L386 WeakPolarHBondContact O-CG 3.37Å; L382-L386 PolarHBondContact O-N 3.32Å; L382-V462 HydrophobicContact CD2-CG1 4.24Å; L382-V462 HydrophobicContact CD2-CG2 3.68Å; L382-I470 HydrophobicContact CD2-CD1 3.92Å; L382-I470 HydrophobicContact CG-CD1 4.36Å |
| 383 | A | 91.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56 | -32.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R353 L358 I361 L365 K379 R380 E381 | R353-A383 PolarHBondContact NH1-O 3.12Å; L358-A383 WeakPolarHBondContact CD2-O 3.45Å; I361-A383 HydrophobicContact CB-CB 3.98Å; I361-A383 HydrophobicContact CG2-CB 3.71Å; L365-A383 HydrophobicContact CD1-CB 4.22Å; K379-A383 PolarHBondContact O-N 2.92Å; R380-A383 WeakPolarHBondContact O-CB 3.48Å; R380-A383 PolarHBondContact O-N 2.9Å; E381-A383 VanDerWaalsContact C-N 3.33Å; E381-A383 PolarHBondContact O-N 3.43Å |
| 384 | G | 91.4 | Very high | 88 | Confident | 22 Ų | 22 | 44.4 Ų | 44.4 | 23% | 0.227 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71.9 | -28.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | P350 E381 L382 | P350-G384 VanDerWaalsContact CB-O 3.29Å; P350-G384 WeakPolarHBondContact CB-O 3.38Å; E381-G384 WeakPolarHBondContact O-CA 3.28Å; E381-G384 PolarHBondContact O-N 2.92Å; L382-G384 PolarHBondContact O-N 3.26Å; L382-G384 VanDerWaalsContact O-N 3.14Å |
| 385 | V | 92.7 | Very high | 88.4 | Confident | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.024 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -117.4 | -19.4 | -169.5 | -56.6 | 0 | 0 | 0 | 0 | 115 | E381 L382 I387 V462 D466 I470 | E381-V385 PolarHBondContact O-N 2.8Å; L382-V385 HydrophobicContact CD2-CG2 4.27Å; L382-V385 PolarHBondContact O-N 3.32Å; V385-I387 PolarHBondContact O-N 2.85Å; V385-V462 HydrophobicContact CG2-CG1 4.29Å; V385-D466 HydrophobicContact CB-CB 3.95Å; V385-D466 HydrophobicContact CG1-CB 4.03Å; V385-D466 HydrophobicContact CG2-CB 4.16Å; V385-I470 HydrophobicContact CG1-CD1 4.47Å; V385-I470 HydrophobicContact CG2-CD1 3.61Å |
| 386 | L | 93.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -57.4 | 132.9 | -175.5 | -81.7 | 163.6 | 0 | 0 | 0 | 111 | L346 R353 L365 L382 L460 V462 | L346-L386 HydrophobicContact CD2-CB 4.02Å; L346-L386 WeakPolarHBondContact CD2-O 3.44Å; R353-L386 PolarHBondContact NH1-O 3.38Å; R353-L386 PolarHBondContact NH2-O 3.46Å; L365-L386 HydrophobicContact CD1-CD1 3.59Å; L365-L386 HydrophobicContact CD2-CD1 3.49Å; L365-L386 VanDerWaalsContact CD2-CD1 3.49Å; L365-L386 HydrophobicContact CG-CD1 4.17Å; L382-L386 HydrophobicContact CB-CD1 3.97Å; L382-L386 HydrophobicContact CB-CG 4.18Å; L382-L386 WeakPolarHBondContact O-CB 3.31Å; L382-L386 WeakPolarHBondContact O-CD1 3.19Å; L382-L386 WeakPolarHBondContact O-CG 3.37Å; L382-L386 PolarHBondContact O-N 3.32Å; L386-L460 HydrophobicContact CD1-CD1 4.49Å; L386-L460 HydrophobicContact CD2-CB 3.98Å; L386-L460 HydrophobicContact CD2-CD1 4.4Å; L386-V462 HydrophobicContact CD2-CG2 3.45Å; L386-V462 VanDerWaalsContact CD2-CG2 3.45Å; L386-V462 HydrophobicContact CG-CG2 4.3Å | ||
| 387 | I | 93.3 | Very high | 89.8 | Confident | 43 Ų | 43 | 45.3 Ų | 45.3 | 22% | 0.221 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 133.2 | 177.5 | -60.4 | 170.6 | 0 | 0 | 0 | 108 | V385 L460 R461 D463 | V385-I387 PolarHBondContact O-N 2.85Å; I387-L460 CarbonylContact O-C 3.5Å; I387-L460 WeakPolarHBondContact O-CA 3.46Å; I387-R461 HydrophobicContact CB-CB 4.35Å; I387-R461 PolarHBondContact N-O 3.08Å; I387-R461 PolarHBondContact O-N 3.28Å; I387-D463 WeakPolarHBondContact CD1-OD2 3.35Å |
| 388 | F | 93.1 | Very high | 90.3 | Very high | 21 Ų | 21 | 45.6 Ų | 45.6 | 9% | 0.092 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 126.2 | 169.6 | 176.9 | -95 | 0 | 0 | 0 | 109.7 | R343 L346 R347 L412 H458 | R343-F388 HydrophobicContact CB-CE2 4.35Å; R343-F388 VanDerWaalsContact CD-CE2 3.5Å; R343-F388 HydrophobicContact CG-CD2 4.05Å; R343-F388 HydrophobicContact CG-CE2 3.62Å; R343-F388 HydrophobicContact CG-CZ 4.17Å; L346-F388 HydrophobicContact CB-CB 3.58Å; L346-F388 HydrophobicContact CD1-CB 4.34Å; R347-F388 HydrophobicContact CG-CD1 4.24Å; F388-L412 HydrophobicContact CD2-CD1 4.06Å; F388-L412 HydrophobicContact CE2-CD1 4.09Å; F388-H458 HydrophobicContact CE2-CB 3.84Å; F388-H458 HydrophobicContact CZ-CB 3.99Å; F388-H458 AromaticContact CZ-CG 3.8Å |
| 389 | E | 92.8 | Very high | 90.5 | Very high | 32 Ų | 32 | 45.2 Ų | 45.2 | 15% | 0.15 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 131.2 | 179.7 | -170.9 | 173.9 | 133.4 | 0 | 0 | 109.7 | H391 H458 F459 R461 | E389-H391 IonicContact OE1-CD2 2.84Å; E389-H391 IonicContact OE1-CE1 2.87Å; E389-H391 IonicContact OE1-NE2 3.6Å; E389-H391 PolarHBondContact OE1-NE2 2.66Å; E389-H458 CarbonylContact O-C 3.48Å; E389-F459 PolarHBondContact N-O 2.88Å; E389-F459 PolarHBondContact O-N 3.45Å; E389-R461 VanDerWaalsContact OE2-CD 3.28Å; E389-R461 WeakPolarHBondContact OE2-CD 3.49Å; E389-R461 IonicContact OE2-CZ 2.63Å; E389-R461 IonicContact OE2-NE 2.66Å; E389-R461 IonicContact OE2-NH1 2.84Å; E389-R461 PolarHBondContact OE2-NH1 3.09Å |
| 390 | S | 91.1 | Very high | 90.3 | Very high | 66 Ų | 66 | 48.2 Ų | 48.2 | 46% | 0.462 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 142.5 | -179.4 | 59.5 | 0 | 0 | 0 | 0 | 111.2 | C457 | S390-C457 VanDerWaalsContact CA-O 3.32Å; S390-C457 WeakPolarHBondContact CA-O 3.18Å |
| 391 | H | 91.6 | Very high | 89.8 | Confident | 45 Ų | 45 | 43.7 Ų | 43.7 | 21% | 0.208 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 127.4 | -177.1 | -71.8 | -84.2 | 0 | 0 | 0 | 110.1 | E389 L398 L452 D456 C457 F459 | E389-H391 IonicContact OE1-CD2 2.84Å; E389-H391 IonicContact OE1-CE1 2.87Å; E389-H391 IonicContact OE1-NE2 3.6Å; E389-H391 PolarHBondContact OE1-NE2 2.66Å; H391-L398 WeakPolarHBondContact NE2-CD2 3.23Å; H391-L452 HydrophobicContact CB-CD2 3.42Å; H391-L452 VanDerWaalsContact CB-CD2 3.42Å; H391-D456 CarbonylContact O-C 3.53Å; H391-D456 VanDerWaalsContact O-CA 3.27Å; H391-D456 WeakPolarHBondContact O-CA 3.48Å; H391-D456 PolarHBondContact O-N 3.42Å; H391-C457 PolarHBondContact N-O 2.68Å; H391-C457 PolarHBondContact O-N 3.5Å; H391-F459 AromaticContact CD2-CE2 3.86Å |
| 392 | E | 86 | Confident | 89.1 | Confident | 128 Ų | 128 | 43.7 Ų | 43.7 | 60% | 0.598 | 25% | 0.245 | S | C | * | . | trans | -78.5 | -29.7 | -169.1 | -64.3 | 179.6 | 179.7 | 0 | 0 | 114 | D455 D456 | E392-D455 VanDerWaalsContact O-CA 3.32Å; E392-D455 WeakPolarHBondContact O-CA 3.47Å; E392-D455 VanDerWaalsContact O-CB 3.23Å; E392-D455 WeakPolarHBondContact O-CB 3.22Å; E392-D456 PolarHBondContact O-N 3.33Å | ||
| 393 | R | 88.6 | Confident | 88.5 | Confident | 184 Ų | 184 | 47.5 Ų | 47.5 | 69% | 0.694 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -118.4 | 132.9 | -165.5 | -65.5 | -175.6 | 175.5 | -173.1 | -2.8 | 113.7 | T396 D455 | R393-T396 WeakPolarHBondContact O-CB 3.46Å; R393-T396 PolarHBondContact O-N 3.41Å; R393-T396 PolarHBondContact O-OG1 3.27Å; R393-D455 WeakPolarHBondContact CA-OD1 3.46Å |
| 394 | A | 88.7 | Confident | 87.9 | Confident | 24 Ų | 24 | 53.5 Ų | 53.5 | 20% | 0.198 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 151.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | D167 T396 D455 | D167-A394 HydrophobicContact CB-CB 4.41Å; A394-T396 PolarHBondContact O-N 3.14Å; A394-D455 WeakPolarHBondContact CB-OD1 3.46Å; A394-D455 PolarHBondContact N-OD1 3.11Å |
| 395 | G | 87.1 | Confident | 87.2 | Confident | 34 Ų | 34 | 52.5 Ų | 52.5 | 35% | 0.351 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | -6.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115 | V397 V451 L452 | G395-V397 PolarHBondContact O-N 2.76Å; G395-V451 WeakPolarHBondContact O-CG1 3.36Å; G395-L452 PolarHBondContact N-O 3.35Å |
| 396 | T | 92.9 | Very high | 87 | Confident | 46 Ų | 46 | 56 Ų | 56 | 28% | 0.282 | 30% | 0.302 | S | S | . | . | trans | -62.8 | 129.4 | 173.6 | -57.7 | 0 | 0 | 0 | 0 | 110 | R393 A394 V451 L452 | R393-T396 WeakPolarHBondContact O-CB 3.46Å; R393-T396 PolarHBondContact O-N 3.41Å; R393-T396 PolarHBondContact O-OG1 3.27Å; A394-T396 PolarHBondContact O-N 3.14Å; T396-V451 WeakPolarHBondContact O-CA 3.4Å; T396-L452 WeakPolarHBondContact O-CD1 3.39Å; T396-L452 PolarHBondContact O-N 2.96Å | ||
| 397 | V | 92.3 | Very high | 86.8 | Confident | 59 Ų | 59 | 56.1 Ų | 56.1 | 36% | 0.358 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 122.5 | 177.7 | -173 | 0 | 0 | 0 | 0 | 109.2 | G395 F399 I450 V451 | G395-V397 PolarHBondContact O-N 2.76Å; V397-F399 WeakPolarHBondContact CG1-O 3.44Å; V397-I450 WeakPolarHBondContact CA-O 3.46Å; V397-V451 HydrophobicContact CG1-CG2 4.46Å; V397-V451 HydrophobicContact CG2-CG1 4.44Å; V397-V451 HydrophobicContact CG2-CG2 4.13Å |
| 398 | L | 90.5 | Very high | 86.7 | Confident | 24 Ų | 24 | 54.5 Ų | 54.5 | 13% | 0.126 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | -42.7 | 177.1 | -83.9 | 169.1 | 0 | 0 | 0 | 112 | H391 Y409 V416 F435 I450 L452 F459 | H391-L398 WeakPolarHBondContact NE2-CD2 3.23Å; L398-Y409 HydrophobicContact CD2-CE1 4.38Å; L398-V416 HydrophobicContact CD1-CG1 4.44Å; L398-F435 HydrophobicContact CD1-CE2 4.14Å; L398-F435 HydrophobicContact CD1-CZ 3.75Å; L398-I450 HydrophobicContact CB-CB 4.2Å; L398-I450 HydrophobicContact CB-CG2 4.26Å; L398-I450 HydrophobicContact CD1-CG2 3.77Å; L398-I450 PolarHBondContact N-O 3.19Å; L398-L452 HydrophobicContact CD1-CD1 3.84Å; L398-L452 HydrophobicContact CG-CD1 3.74Å; L398-F459 HydrophobicContact CD1-CE1 4.03Å; L398-F459 HydrophobicContact CD1-CE2 4.08Å; L398-F459 HydrophobicContact CD1-CZ 3.77Å |
| 399 | F | 89.3 | Confident | 86.6 | Confident | 15 Ų | 15 | 54 Ų | 54 | 7% | 0.066 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.2 | 159.5 | 171.7 | 53.6 | -102.8 | 0 | 0 | 0 | 110.3 | V397 E403 Y409 F435 R446 A448 S449 I450 | V397-F399 WeakPolarHBondContact CG1-O 3.44Å; F399-E403 WeakPolarHBondContact CA-OE2 3.31Å; F399-E403 WeakPolarHBondContact CB-OE2 3.45Å; F399-Y409 HydrophobicContact CD1-CE2 4.11Å; F399-Y409 HydrophobicContact CE1-CD2 4.07Å; F399-Y409 AromaticContact CE1-CE2 3.88Å; F399-Y409 HydrophobicContact CE1-CE2 3.88Å; F399-F435 AromaticContact CE1-CD2 3.97Å; F399-F435 HydrophobicContact CE1-CD2 3.97Å; F399-F435 AromaticContact CE1-CE2 3.81Å; F399-F435 HydrophobicContact CE1-CE2 3.81Å; F399-F435 AromaticContact CZ-CD2 3.92Å; F399-F435 HydrophobicContact CZ-CD2 3.92Å; F399-F435 HydrophobicContact CZ-CE2 4.18Å; F399-R446 HydrophobicContact CD2-CB 4.21Å; F399-R446 HydrophobicContact CD2-CG 3.69Å; F399-R446 HydrophobicContact CE2-CB 4.36Å; F399-R446 HydrophobicContact CE2-CG 4Å; F399-R446 HydrophobicContact CG-CG 4.39Å; F399-A448 WeakPolarHBondContact CE2-O 3.23Å; F399-S449 VanDerWaalsContact O-CA 3.29Å; F399-S449 WeakPolarHBondContact O-CA 3.4Å; F399-I450 HydrophobicContact CD2-CG1 4.31Å; F399-I450 HydrophobicContact CE1-CB 4.32Å; F399-I450 HydrophobicContact CE1-CG1 3.86Å; F399-I450 HydrophobicContact CE2-CB 4.31Å; F399-I450 HydrophobicContact CE2-CG1 3.5Å; F399-I450 HydrophobicContact CZ-CB 4.13Å; F399-I450 HydrophobicContact CZ-CD1 4.37Å; F399-I450 HydrophobicContact CZ-CG1 3.25Å; F399-I450 PolarHBondContact O-N 3.44Å |
| 400 | H | 83.3 | Confident | 86.5 | Confident | 82 Ų | 82 | 52.6 Ų | 52.6 | 38% | 0.38 | 29% | 0.285 | S | S | . | . | trans | -100 | 150.1 | 179.7 | -65.2 | -83.2 | 0 | 0 | 0 | 112.7 | G402 E403 R446 | H400-G402 PolarHBondContact O-N 2.95Å; H400-E403 HydrophobicContact CB-CG 3.95Å; H400-E403 IonicContact CD2-OE1 3.74Å; H400-E403 PolarHBondContact CD2-OE1 3.08Å; H400-E403 IonicContact CG-OE1 3.11Å; H400-E403 VanDerWaalsContact N-CD 3.35Å; H400-E403 PolarHBondContact N-OE2 2.94Å; H400-E403 WeakPolarHBondContact O-CB 3.23Å; H400-E403 WeakPolarHBondContact O-CG 3.32Å; H400-E403 PolarHBondContact O-N 3.16Å; H400-R446 WeakPolarHBondContact O-CB 3.37Å | ||
| 401 | Q | 77.3 | Confident | 86.4 | Confident | 31 Ų | 31 | 49.5 Ų | 49.5 | 15% | 0.145 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 134.1 | 167.9 | -179.4 | 179 | 0.4 | 0 | 0 | 109.7 | Y421 R446 A447 S449 | Q401-Y421 HydrophobicContact CB-CD2 4.04Å; Q401-Y421 HydrophobicContact CB-CE2 3.71Å; Q401-Y421 HydrophobicContact CG-CD2 4.12Å; Q401-Y421 HydrophobicContact CG-CE2 4.2Å; Q401-Y421 VanDerWaalsContact OE1-CD2 3.32Å; Q401-R446 CarbonylContact C-O 3.58Å; Q401-R446 WeakPolarHBondContact CA-O 3.36Å; Q401-R446 WeakPolarHBondContact CG-O 3.36Å; Q401-A447 PolarHBondContact NE2-O 2.92Å; Q401-S449 PolarHBondContact N-OG 2.96Å |
| 402 | G | 72.9 | Confident | 86.2 | Confident | 53 Ų | 53 | 48.6 Ų | 48.6 | 55% | 0.546 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.5 | -9.5 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | H400 R446 | H400-G402 PolarHBondContact O-N 2.95Å; G402-R446 PolarHBondContact N-O 3.36Å |
| 403 | E | 78.3 | Confident | 86.2 | Confident | 84 Ų | 84 | 46 Ų | 46 | 39% | 0.393 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -72.9 | 163.1 | 174.9 | -68.5 | -178.5 | 163.7 | 0 | 0 | 112.2 | F399 H400 P445 R446 | F399-E403 WeakPolarHBondContact CA-OE2 3.31Å; F399-E403 WeakPolarHBondContact CB-OE2 3.45Å; H400-E403 HydrophobicContact CB-CG 3.95Å; H400-E403 IonicContact CD2-OE1 3.74Å; H400-E403 PolarHBondContact CD2-OE1 3.08Å; H400-E403 IonicContact CG-OE1 3.11Å; H400-E403 VanDerWaalsContact N-CD 3.35Å; H400-E403 PolarHBondContact N-OE2 2.94Å; H400-E403 WeakPolarHBondContact O-CB 3.23Å; H400-E403 WeakPolarHBondContact O-CG 3.32Å; H400-E403 PolarHBondContact O-N 3.16Å; E403-P445 CarbonylContact O-C 3.58Å; E403-P445 VanDerWaalsContact O-CA 3.29Å; E403-P445 WeakPolarHBondContact O-CA 3.22Å; E403-R446 HydrophobicContact CB-CG 4.27Å; E403-R446 WeakPolarHBondContact O-CG 3.32Å; E403-R446 PolarHBondContact O-N 2.88Å |
| 404 | E | 78.8 | Confident | 86.1 | Confident | 127 Ų | 127 | 37.8 Ų | 37.8 | 59% | 0.593 | 22% | 0.219 | S | C | * | . | trans | -68.1 | 139.9 | 173.1 | -166.1 | -176.6 | 159.9 | 0 | 0 | 110.9 | T406 K464 | E404-T406 PolarHBondContact O-N 3.38Å; E404-T406 VanDerWaalsContact O-N 3.13Å; E404-K464 IonicContact OE1-NZ 3.98Å; E404-K464 PolarHBondContact OE1-NZ 3.33Å | ||
| 405 | G | 77.6 | Confident | 85.9 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | trans | -71.6 | 101 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A439 L440 K464 | G405-A439 VanDerWaalsContact CA-CB 3.5Å; G405-L440 WeakPolarHBondContact O-CD2 3.29Å; G405-K464 WeakPolarHBondContact O-CD 3.29Å | ||
| 406 | T | 87.8 | Confident | 85.9 | Confident | 76 Ų | 76 | 35 Ų | 35 | 47% | 0.466 | 19% | 0.193 | S | C | . | . | trans | -97.1 | -30.2 | -179.3 | 51.8 | 0 | 0 | 0 | 0 | 114.6 | E404 K464 | E404-T406 PolarHBondContact O-N 3.38Å; E404-T406 VanDerWaalsContact O-N 3.13Å; T406-K464 WeakPolarHBondContact O-CB 3.44Å; T406-K464 PolarHBondContact O-N 2.88Å | ||
| 407 | S | 90.3 | Very high | 85.4 | Confident | 4 Ų | 4 | 32.9 Ų | 32.9 | 3% | 0.028 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 158.2 | -173.7 | -47.2 | 0 | 0 | 0 | 0 | 114.3 | R446 R461 V462 D463 | S407-R446 PolarHBondContact O-NH1 2.72Å; S407-R446 PolarHBondContact O-NH2 2.77Å; S407-R461 VanDerWaalsContact CB-CG 3.47Å; S407-V462 CarbonylContact C-O 3.46Å; S407-V462 VanDerWaalsContact CA-O 3.27Å; S407-V462 WeakPolarHBondContact CA-O 3.44Å; S407-D463 PolarHBondContact OG-OD1 2.93Å |
| 408 | W | 90.9 | Very high | 84.9 | Confident | 9 Ų | 9 | 30.1 Ų | 30.1 | 3% | 0.034 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 139 | 169.2 | 170.5 | 50.8 | 0 | 0 | 0 | 109.1 | L371 L374 I410 D434 F435 K437 L440 R461 V462 F467 | L371-W408 HydrophobicContact CD2-CH2 3.56Å; L371-W408 HydrophobicContact CD2-CZ2 4.43Å; L371-W408 HydrophobicContact CD2-CZ3 4.22Å; L374-W408 HydrophobicContact CD1-CH2 4.33Å; W408-I410 HydrophobicContact CH2-CD1 3.9Å; W408-I410 HydrophobicContact CH2-CG1 4.47Å; W408-I410 HydrophobicContact CZ2-CD1 3.93Å; W408-I410 HydrophobicContact CZ2-CG1 4.04Å; W408-I410 HydrophobicContact CZ3-CD1 4.41Å; W408-D434 HydrophobicContact CZ2-CB 4.37Å; W408-D434 PolarHBondContact NE1-OD2 2.66Å; W408-F435 VanDerWaalsContact CD1-O 3.23Å; W408-K437 HydrophobicContact CG-CB 4.31Å; W408-L440 HydrophobicContact CB-CD1 3.59Å; W408-R461 CarbonylContact O-C 3.47Å; W408-R461 WeakPolarHBondContact O-CA 3.33Å; W408-V462 HydrophobicContact CE3-CB 4.15Å; W408-V462 HydrophobicContact CE3-CG2 3.88Å; W408-V462 HydrophobicContact CZ3-CG2 4.27Å; W408-V462 PolarHBondContact N-O 3.05Å; W408-V462 PolarHBondContact O-N 2.99Å; W408-F467 HydrophobicContact CE3-CD2 4.42Å; W408-F467 HydrophobicContact CE3-CE2 4.47Å |
| 409 | Y | 90.8 | Very high | 84.2 | Confident | 11 Ų | 11 | 30.5 Ų | 30.5 | 4% | 0.043 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 145.1 | -172.5 | -63.9 | -97.3 | 0 | 0 | 0 | 111.9 | L398 F399 D434 F435 F459 L460 R461 | L398-Y409 HydrophobicContact CD2-CE1 4.38Å; F399-Y409 HydrophobicContact CD1-CE2 4.11Å; F399-Y409 HydrophobicContact CE1-CD2 4.07Å; F399-Y409 AromaticContact CE1-CE2 3.88Å; F399-Y409 HydrophobicContact CE1-CE2 3.88Å; Y409-D434 VanDerWaalsContact O-CA 3.3Å; Y409-D434 WeakPolarHBondContact O-CA 3.26Å; Y409-D434 WeakPolarHBondContact O-CB 3.4Å; Y409-F435 VanDerWaalsContact CB-CE2 3.49Å; Y409-F435 VanDerWaalsContact CB-CZ 3.4Å; Y409-F435 HydrophobicContact CD1-CZ 4.49Å; Y409-F435 HydrophobicContact CD2-CD2 4.23Å; Y409-F435 AromaticContact CD2-CE2 3.71Å; Y409-F435 HydrophobicContact CD2-CE2 3.71Å; Y409-F435 HydrophobicContact CD2-CZ 4.37Å; Y409-F435 HydrophobicContact CG-CD2 4.43Å; Y409-F435 AromaticContact CG-CE2 3.69Å; Y409-F435 HydrophobicContact CG-CE2 3.69Å; Y409-F435 AromaticContact CG-CZ 3.88Å; Y409-F435 HydrophobicContact CG-CZ 3.88Å; Y409-F435 PolarHBondContact N-O 3.46Å; Y409-F435 PolarHBondContact O-N 3.25Å; Y409-F459 HydrophobicContact CD1-CB 4.17Å; Y409-L460 CarbonylContact C-O 3.5Å; Y409-L460 VanDerWaalsContact CA-O 3.28Å; Y409-L460 WeakPolarHBondContact CA-O 3.25Å; Y409-R461 HydrophobicContact CD1-CB 4.13Å; Y409-R461 HydrophobicContact CD1-CG 3.96Å; Y409-R461 HydrophobicContact CE1-CB 4.08Å; Y409-R461 HydrophobicContact CE1-CG 3.6Å; Y409-R461 HydrophobicContact CE2-CG 4.47Å |
| 410 | I | 91.2 | Very high | 83.4 | Confident | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 133.5 | 170.8 | -55.5 | 167.7 | 0 | 0 | 0 | 107.9 | I368 A370 L371 W408 D434 F459 L460 | I368-I410 HydrophobicContact CG2-CG2 4.12Å; A370-I410 HydrophobicContact CB-CD1 4.24Å; A370-I410 HydrophobicContact CB-CG1 4.29Å; A370-I410 HydrophobicContact CB-CG2 3.88Å; L371-I410 HydrophobicContact CD1-CD1 4.38Å; L371-I410 HydrophobicContact CD2-CD1 3.42Å; L371-I410 VanDerWaalsContact CD2-CD1 3.42Å; L371-I410 HydrophobicContact CG-CD1 3.92Å; W408-I410 HydrophobicContact CH2-CD1 3.9Å; W408-I410 HydrophobicContact CH2-CG1 4.47Å; W408-I410 HydrophobicContact CZ2-CD1 3.93Å; W408-I410 HydrophobicContact CZ2-CG1 4.04Å; W408-I410 HydrophobicContact CZ3-CD1 4.41Å; I410-D434 HydrophobicContact CG1-CB 4Å; I410-F459 CarbonylContact O-C 3.58Å; I410-F459 VanDerWaalsContact O-CA 3.24Å; I410-F459 WeakPolarHBondContact O-CA 3.29Å; I410-L460 HydrophobicContact CB-CB 4.23Å; I410-L460 PolarHBondContact N-O 2.84Å; I410-L460 PolarHBondContact O-N 2.6Å |
| 411 | I | 88.2 | Confident | 82.8 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 117.9 | -177 | -50.6 | 179.2 | 0 | 0 | 0 | 109.7 | G414 V416 L429 G432 D433 F435 F459 | I411-G414 WeakPolarHBondContact CG2-O 3.36Å; I411-V416 HydrophobicContact CD1-CG2 3.75Å; I411-L429 HydrophobicContact CD1-CB 3.65Å; I411-G432 PolarHBondContact O-N 3.22Å; I411-D433 HydrophobicContact CD1-CB 4.47Å; I411-D433 PolarHBondContact N-O 2.86Å; I411-F435 HydrophobicContact CD1-CD1 4.28Å; I411-F435 HydrophobicContact CD1-CE1 3.92Å; I411-F435 HydrophobicContact CG1-CD1 4.25Å; I411-F435 HydrophobicContact CG1-CE1 3.7Å; I411-F459 HydrophobicContact CB-CD1 4.48Å; I411-F459 HydrophobicContact CG1-CD1 4.06Å; I411-F459 HydrophobicContact CG1-CE1 3.94Å; I411-F459 HydrophobicContact CG2-CE1 4.34Å |
| 412 | L | 86.9 | Confident | 82.3 | Confident | 25 Ų | 25 | 35.9 Ų | 35.9 | 13% | 0.131 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | -32.5 | 173.1 | -68.6 | -176.2 | 0 | 0 | 0 | 113 | M342 I368 F388 E431 H458 L460 | M342-L412 HydrophobicContact CE-CD1 4.45Å; I368-L412 HydrophobicContact CD1-CD2 4.16Å; F388-L412 HydrophobicContact CD2-CD1 4.06Å; F388-L412 HydrophobicContact CE2-CD1 4.09Å; L412-E431 VanDerWaalsContact O-CD 3.24Å; L412-E431 VanDerWaalsContact O-CG 3.23Å; L412-E431 WeakPolarHBondContact O-CG 3.34Å; L412-H458 HydrophobicContact CB-CB 4.05Å; L412-H458 PolarHBondContact N-O 2.83Å; L412-L460 HydrophobicContact CD1-CD1 4.44Å; L412-L460 HydrophobicContact CD1-CD2 3.71Å; L412-L460 HydrophobicContact CD1-CG 3.69Å; L412-L460 HydrophobicContact CD2-CD1 3.96Å; L412-L460 HydrophobicContact CD2-CG 3.93Å; L412-L460 HydrophobicContact CG-CD1 4.39Å; L412-L460 HydrophobicContact CG-CD2 4.38Å; L412-L460 HydrophobicContact CG-CG 3.8Å |
| 413 | K | 86.7 | Confident | 81.9 | Confident | 74 Ų | 74 | 36.3 Ų | 36.3 | 32% | 0.322 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 142.1 | 178.9 | -171.8 | -174.5 | 177.5 | -176 | 0 | 108.8 | D456 C457 H458 | K413-D456 IonicContact NZ-OD2 2.65Å; K413-D456 PolarHBondContact NZ-OD2 3.02Å; K413-C457 CarbonylContact O-C 3.59Å; K413-C457 VanDerWaalsContact O-CA 3.3Å; K413-C457 WeakPolarHBondContact O-CA 3.44Å; K413-H458 HydrophobicContact CB-CB 3.75Å; K413-H458 VanDerWaalsContact CD-CD2 3.5Å; K413-H458 WeakPolarHBondContact CD-CD2 3.31Å; K413-H458 WeakPolarHBondContact CD-NE2 3.3Å; K413-H458 PolarHBondContact N-O 3.44Å; K413-H458 PolarHBondContact O-N 2.84Å |
| 414 | G | 86.4 | Confident | 81.7 | Confident | 11 Ų | 11 | 34 Ų | 34 | 11% | 0.113 | 20% | 0.197 | C | C | . | . | S | Bend | trans | 91 | -162.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | I411 E431 E454 | I411-G414 WeakPolarHBondContact CG2-O 3.36Å; G414-E431 PolarHBondContact O-N 2.86Å; G414-E454 WeakPolarHBondContact CA-OE1 3.45Å |
| 415 | S | 85.4 | Confident | 81.4 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 154.2 | -176.9 | 53.5 | 0 | 0 | 0 | 0 | 111.7 | L429 R453 E454 | S415-L429 CarbonylContact C-O 3.44Å; S415-L429 WeakPolarHBondContact CA-O 3.46Å; S415-L429 WeakPolarHBondContact CB-O 3.39Å; S415-R453 WeakPolarHBondContact O-CB 3.39Å; S415-R453 PolarHBondContact O-N 3.1Å; S415-E454 VanDerWaalsContact CB-OE1 3.25Å; S415-E454 WeakPolarHBondContact CB-OE1 3.45Å; S415-E454 PolarHBondContact N-OE1 2.8Å; S415-E454 PolarHBondContact OG-OE1 2.96Å |
| 416 | V | 86.4 | Confident | 81.2 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 148 | -178.6 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | L398 I411 T428 L429 F435 I450 V451 L452 F459 | L398-V416 HydrophobicContact CD1-CG1 4.44Å; I411-V416 HydrophobicContact CD1-CG2 3.75Å; V416-T428 CarbonylContact O-C 3.54Å; V416-T428 WeakPolarHBondContact O-CA 3.46Å; V416-T428 WeakPolarHBondContact O-CG2 3.4Å; V416-L429 HydrophobicContact CG2-CB 3.86Å; V416-L429 HydrophobicContact CG2-CD1 4.18Å; V416-L429 HydrophobicContact CG2-CG 4.39Å; V416-L429 PolarHBondContact N-O 2.82Å; V416-L429 PolarHBondContact O-N 2.86Å; V416-F435 HydrophobicContact CG2-CD1 4.39Å; V416-F435 HydrophobicContact CG2-CE1 4Å; V416-F435 HydrophobicContact CG2-CZ 4.48Å; V416-I450 HydrophobicContact CB-CG2 3.72Å; V416-I450 HydrophobicContact CG1-CG2 4.11Å; V416-I450 HydrophobicContact CG2-CG2 3.74Å; V416-V451 CarbonylContact C-O 3.48Å; V416-V451 VanDerWaalsContact CA-O 3.32Å; V416-V451 WeakPolarHBondContact CA-O 3.48Å; V416-L452 HydrophobicContact CG1-CD1 4.24Å; V416-L452 HydrophobicContact CG1-CG 4.38Å; V416-F459 HydrophobicContact CG1-CE1 3.72Å; V416-F459 HydrophobicContact CG1-CZ 3.65Å |
| 417 | N | 82.8 | Confident | 80.6 | Confident | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.011 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 133.8 | 172.6 | -66 | -38.4 | 0 | 0 | 0 | 110 | M166 V419 V425 T428 V451 R453 | M166-N417 PolarHBondContact O-ND2 3.43Å; M166-N417 VanDerWaalsContact O-ND2 3.16Å; N417-V419 HydrophobicContact CB-CG2 4.33Å; N417-V425 HydrophobicContact CB-CG1 4.07Å; N417-V425 HydrophobicContact CB-CG2 4.39Å; N417-T428 PolarHBondContact OD1-OG1 2.86Å; N417-V451 PolarHBondContact N-O 2.9Å; N417-V451 PolarHBondContact O-N 2.81Å; N417-R453 PolarHBondContact OD1-NH1 3.49Å |
| 418 | V | 80.9 | Confident | 80 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 114.3 | 172.5 | -173.2 | 0 | 0 | 0 | 0 | 108.9 | I105 V425 V426 C427 L429 A448 I450 | I105-V418 HydrophobicContact CD1-CG1 4.11Å; V418-V425 WeakPolarHBondContact O-CA 3.38Å; V418-V426 PolarHBondContact O-N 2.85Å; V418-C427 PolarHBondContact N-O 2.86Å; V418-L429 HydrophobicContact CG2-CD1 3.69Å; V418-L429 HydrophobicContact CG2-CG 3.8Å; V418-A448 HydrophobicContact CG1-CB 3.66Å; V418-I450 HydrophobicContact CB-CD1 4.25Å; V418-I450 HydrophobicContact CG1-CD1 4.14Å; V418-I450 HydrophobicContact CG2-CD1 3.81Å |
| 419 | V | 76.3 | Confident | 79.5 | Confident | 31 Ų | 31 | 26.3 Ų | 26.3 | 19% | 0.188 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 125.5 | -171.1 | -172.7 | 0 | 0 | 0 | 0 | 110.7 | N417 G424 V425 S449 V451 | N417-V419 HydrophobicContact CB-CG2 4.33Å; V419-G424 WeakPolarHBondContact CA-O 3.49Å; V419-V425 HydrophobicContact CG2-CG2 4.22Å; V419-S449 PolarHBondContact N-O 3.36Å; V419-S449 PolarHBondContact O-N 2.86Å; V419-V451 HydrophobicContact CG2-CG2 4.1Å |
| 420 | I | 71.8 | Confident | 79.2 | Confident | 11 Ų | 11 | 26.8 Ų | 26.8 | 6% | 0.056 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 132.1 | 174.9 | -59.1 | -174.5 | 0 | 0 | 0 | 109.5 | V93 I105 G422 K423 G424 V426 A448 | V93-I420 HydrophobicContact CB-CD1 4.36Å; V93-I420 HydrophobicContact CG1-CD1 4Å; V93-I420 HydrophobicContact CG2-CD1 4.05Å; I105-I420 HydrophobicContact CD1-CD1 4.27Å; I420-G422 PolarHBondContact O-N 2.77Å; I420-K423 HydrophobicContact CB-CB 4.21Å; I420-K423 HydrophobicContact CB-CD 4.47Å; I420-K423 HydrophobicContact CG2-CB 4.46Å; I420-K423 HydrophobicContact CG2-CD 4.19Å; I420-K423 HydrophobicContact CG2-CG 4.42Å; I420-K423 PolarHBondContact O-N 3.35Å; I420-G424 PolarHBondContact N-O 3.39Å; I420-G424 PolarHBondContact O-N 2.96Å; I420-V426 HydrophobicContact CB-CG2 3.98Å; I420-V426 HydrophobicContact CD1-CG2 3.77Å; I420-V426 HydrophobicContact CG1-CG2 3.72Å; I420-A448 HydrophobicContact CD1-CB 4.37Å; I420-A448 HydrophobicContact CG1-CB 3.76Å |
| 421 | Y | 71.9 | Confident | 78.9 | Confident | 140 Ų | 140 | 30.9 Ų | 30.9 | 55% | 0.549 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | 130.5 | 177.5 | -62.2 | -35.2 | 0 | 0 | 0 | 111 | Q401 K423 | Q401-Y421 HydrophobicContact CB-CD2 4.04Å; Q401-Y421 HydrophobicContact CB-CE2 3.71Å; Q401-Y421 HydrophobicContact CG-CD2 4.12Å; Q401-Y421 HydrophobicContact CG-CE2 4.2Å; Q401-Y421 VanDerWaalsContact OE1-CD2 3.32Å; Y421-K423 PolarHBondContact O-N 2.81Å |
| 422 | G | 65.9 | Low | 78.4 | Confident | 91 Ų | 91 | 32.1 Ų | 32.1 | 94% | 0.938 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | -13.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | I420 | I420-G422 PolarHBondContact O-N 2.77Š|
| 423 | K | 64.9 | Low | 78.2 | Confident | 62 Ų | 62 | 31.1 Ų | 31.1 | 27% | 0.27 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -18.6 | 176.1 | -62.2 | -177.2 | 177.2 | -178.5 | 0 | 113.9 | V93 H125 I420 Y421 V426 | V93-K423 VanDerWaalsContact CG1-NZ 3.34Å; H125-K423 PolarHBondContact O-NZ 3.27Å; I420-K423 HydrophobicContact CB-CB 4.21Å; I420-K423 HydrophobicContact CB-CD 4.47Å; I420-K423 HydrophobicContact CG2-CB 4.46Å; I420-K423 HydrophobicContact CG2-CD 4.19Å; I420-K423 HydrophobicContact CG2-CG 4.42Å; I420-K423 PolarHBondContact O-N 3.35Å; Y421-K423 PolarHBondContact O-N 2.81Å; K423-V426 HydrophobicContact CB-CG2 4.29Å |
| 424 | G | 73.2 | Confident | 78.1 | Confident | 36 Ų | 36 | 28.3 Ų | 28.3 | 37% | 0.371 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 74.7 | -146.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112 | V419 I420 V426 | V419-G424 WeakPolarHBondContact CA-O 3.49Å; I420-G424 PolarHBondContact N-O 3.39Å; I420-G424 PolarHBondContact O-N 2.96Å; G424-V426 PolarHBondContact O-N 3.19Å |
| 425 | V | 73.4 | Confident | 78 | Confident | 20 Ų | 20 | 27.9 Ų | 27.9 | 12% | 0.121 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 116 | 177.3 | -176.5 | 0 | 0 | 0 | 0 | 109 | A160 P161 N417 V418 V419 | A160-V425 HydrophobicContact CB-CB 4.31Å; A160-V425 HydrophobicContact CB-CG1 3.79Å; P161-V425 HydrophobicContact CG-CG2 4.33Å; N417-V425 HydrophobicContact CB-CG1 4.07Å; N417-V425 HydrophobicContact CB-CG2 4.39Å; V418-V425 WeakPolarHBondContact O-CA 3.38Å; V419-V425 HydrophobicContact CG2-CG2 4.22Å |
| 426 | V | 73.1 | Confident | 77.7 | Confident | 18 Ų | 18 | 28.3 Ų | 28.3 | 11% | 0.109 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -41.5 | -178.6 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | I105 H125 A126 V418 I420 K423 G424 | I105-V426 HydrophobicContact CD1-CG1 4.49Å; H125-V426 HydrophobicContact CB-CG1 4.03Å; H125-V426 HydrophobicContact CB-CG2 4.44Å; A126-V426 HydrophobicContact CB-CG1 4.25Å; V418-V426 PolarHBondContact O-N 2.85Å; I420-V426 HydrophobicContact CB-CG2 3.98Å; I420-V426 HydrophobicContact CD1-CG2 3.77Å; I420-V426 HydrophobicContact CG1-CG2 3.72Å; K423-V426 HydrophobicContact CB-CG2 4.29Å; G424-V426 PolarHBondContact O-N 3.19Å |
| 427 | C | 75.6 | Confident | 77.1 | Confident | 10 Ų | 10 | 32.1 Ų | 32.1 | 7% | 0.068 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 167.7 | 175.2 | 59.8 | 0 | 0 | 0 | 0 | 110.6 | C106 V418 | C106-C427 VanDerWaalsContact SG-SG 3.69Å; V418-C427 PolarHBondContact N-O 2.86Å |
| 428 | T | 77.6 | Confident | 76.3 | Confident | 7 Ų | 7 | 34.1 Ų | 34.1 | 4% | 0.043 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 135.9 | 172.4 | -60.1 | 0 | 0 | 0 | 0 | 109.1 | V416 N417 Y430 R453 | V416-T428 CarbonylContact O-C 3.54Å; V416-T428 WeakPolarHBondContact O-CA 3.46Å; V416-T428 WeakPolarHBondContact O-CG2 3.4Å; N417-T428 PolarHBondContact OD1-OG1 2.86Å; T428-Y430 HydrophobicContact CG2-CE1 4.23Å; T428-Y430 HydrophobicContact CG2-CE2 3.83Å; T428-R453 VanDerWaalsContact CG2-CD 3.43Å |
| 429 | L | 80.6 | Confident | 75.5 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 146.5 | 178.5 | -56.3 | 175.9 | 0 | 0 | 0 | 110 | C106 L108 I411 S415 V416 V418 D433 F435 | C106-L429 HydrophobicContact CB-CD1 3.67Å; C106-L429 HydrophobicContact CB-CD2 3.92Å; C106-L429 HydrophobicContact CB-CG 4.39Å; L108-L429 HydrophobicContact CD2-CD2 3.66Å; I411-L429 HydrophobicContact CD1-CB 3.65Å; S415-L429 CarbonylContact C-O 3.44Å; S415-L429 WeakPolarHBondContact CA-O 3.46Å; S415-L429 WeakPolarHBondContact CB-O 3.39Å; V416-L429 HydrophobicContact CG2-CB 3.86Å; V416-L429 HydrophobicContact CG2-CD1 4.18Å; V416-L429 HydrophobicContact CG2-CG 4.39Å; V416-L429 PolarHBondContact N-O 2.82Å; V416-L429 PolarHBondContact O-N 2.86Å; V418-L429 HydrophobicContact CG2-CD1 3.69Å; V418-L429 HydrophobicContact CG2-CG 3.8Å; L429-D433 WeakPolarHBondContact CA-OD2 3.37Å; L429-D433 HydrophobicContact CB-CB 4.02Å; L429-D433 HydrophobicContact CD2-CB 4.27Å; L429-F435 HydrophobicContact CD1-CB 3.81Å; L429-F435 HydrophobicContact CD1-CD1 3.74Å; L429-F435 HydrophobicContact CD1-CG 4.08Å |
| 430 | Y | 84.5 | Confident | 75.3 | Confident | 21 Ų | 21 | 33 Ų | 33 | 8% | 0.082 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 177.4 | -175.9 | -64.1 | -86.9 | 0 | 0 | 0 | 111.8 | T112 L158 T428 G432 D433 | T112-Y430 HydrophobicContact CG2-CD2 3.98Å; T112-Y430 HydrophobicContact CG2-CE2 4.32Å; L158-Y430 PolarHBondContact O-OH 3.5Å; T428-Y430 HydrophobicContact CG2-CE1 4.23Å; T428-Y430 HydrophobicContact CG2-CE2 3.83Å; Y430-G432 PolarHBondContact O-N 3.47Å; Y430-D433 PolarHBondContact N-OD2 2.81Å; Y430-D433 WeakPolarHBondContact O-CB 3.41Å; Y430-D433 PolarHBondContact O-N 3.24Å |
| 431 | E | 84.4 | Confident | 75.2 | Confident | 88 Ų | 88 | 36.6 Ų | 36.6 | 41% | 0.411 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | 128 | 174.6 | -177.4 | -175.4 | 144 | 0 | 0 | 112.8 | K43 L412 G414 | K43-E431 WeakPolarHBondContact CE-OE2 3.49Å; K43-E431 IonicContact NZ-OE1 3.97Å; K43-E431 PolarHBondContact NZ-OE1 2.74Å; K43-E431 IonicContact NZ-OE2 3.69Å; K43-E431 PolarHBondContact NZ-OE2 3.44Å; L412-E431 VanDerWaalsContact O-CD 3.24Å; L412-E431 VanDerWaalsContact O-CG 3.23Å; L412-E431 WeakPolarHBondContact O-CG 3.34Å; G414-E431 PolarHBondContact O-N 2.86Å |
| 432 | G | 78.1 | Confident | 74.9 | Confident | 27 Ų | 27 | 34.5 Ų | 34.5 | 28% | 0.278 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 95 | -15.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | I411 Y430 | I411-G432 PolarHBondContact O-N 3.22Å; Y430-G432 PolarHBondContact O-N 3.47Å |
| 433 | D | 81.4 | Confident | 75.2 | Confident | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | trans | -77.9 | 157.7 | 174.3 | -64 | -21.4 | 0 | 0 | 0 | 111.5 | T107 G109 T112 I411 L429 Y430 | T107-D433 WeakPolarHBondContact O-CB 3.44Å; G109-D433 WeakPolarHBondContact CA-OD1 3.21Å; G109-D433 PolarHBondContact N-OD1 2.98Å; T112-D433 PolarHBondContact OG1-OD2 2.8Å; I411-D433 HydrophobicContact CD1-CB 4.47Å; I411-D433 PolarHBondContact N-O 2.86Å; L429-D433 WeakPolarHBondContact CA-OD2 3.37Å; L429-D433 HydrophobicContact CB-CB 4.02Å; L429-D433 HydrophobicContact CD2-CB 4.27Å; Y430-D433 PolarHBondContact N-OD2 2.81Å; Y430-D433 WeakPolarHBondContact O-CB 3.41Å; Y430-D433 PolarHBondContact O-N 3.24Å | ||
| 434 | D | 84.9 | Confident | 75.2 | Confident | 15 Ų | 15 | 34.5 Ų | 34.5 | 8% | 0.08 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 149.9 | 179.1 | 83.1 | -78.2 | 0 | 0 | 0 | 112.7 | T107 A370 W408 Y409 I410 | T107-D434 VanDerWaalsContact CB-OD1 3.26Å; T107-D434 WeakPolarHBondContact CB-OD1 3.47Å; T107-D434 PolarHBondContact N-O 3.21Å; T107-D434 PolarHBondContact OG1-OD1 2.97Å; A370-D434 HydrophobicContact CB-CB 4.14Å; W408-D434 HydrophobicContact CZ2-CB 4.37Å; W408-D434 PolarHBondContact NE1-OD2 2.66Å; Y409-D434 VanDerWaalsContact O-CA 3.3Å; Y409-D434 WeakPolarHBondContact O-CA 3.26Å; Y409-D434 WeakPolarHBondContact O-CB 3.4Å; I410-D434 HydrophobicContact CG1-CB 4Å |
| 435 | F | 85.1 | Confident | 75.2 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.009 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 160.2 | -177.2 | 61.2 | -92.2 | 0 | 0 | 0 | 113.6 | C106 L398 F399 W408 Y409 I411 V416 L429 I450 F459 | C106-F435 HydrophobicContact CB-CB 4.15Å; L398-F435 HydrophobicContact CD1-CE2 4.14Å; L398-F435 HydrophobicContact CD1-CZ 3.75Å; F399-F435 AromaticContact CE1-CD2 3.97Å; F399-F435 HydrophobicContact CE1-CD2 3.97Å; F399-F435 AromaticContact CE1-CE2 3.81Å; F399-F435 HydrophobicContact CE1-CE2 3.81Å; F399-F435 AromaticContact CZ-CD2 3.92Å; F399-F435 HydrophobicContact CZ-CD2 3.92Å; F399-F435 HydrophobicContact CZ-CE2 4.18Å; W408-F435 VanDerWaalsContact CD1-O 3.23Å; Y409-F435 VanDerWaalsContact CB-CE2 3.49Å; Y409-F435 VanDerWaalsContact CB-CZ 3.4Å; Y409-F435 HydrophobicContact CD1-CZ 4.49Å; Y409-F435 HydrophobicContact CD2-CD2 4.23Å; Y409-F435 AromaticContact CD2-CE2 3.71Å; Y409-F435 HydrophobicContact CD2-CE2 3.71Å; Y409-F435 HydrophobicContact CD2-CZ 4.37Å; Y409-F435 HydrophobicContact CG-CD2 4.43Å; Y409-F435 AromaticContact CG-CE2 3.69Å; Y409-F435 HydrophobicContact CG-CE2 3.69Å; Y409-F435 AromaticContact CG-CZ 3.88Å; Y409-F435 HydrophobicContact CG-CZ 3.88Å; Y409-F435 PolarHBondContact N-O 3.46Å; Y409-F435 PolarHBondContact O-N 3.25Å; I411-F435 HydrophobicContact CD1-CD1 4.28Å; I411-F435 HydrophobicContact CD1-CE1 3.92Å; I411-F435 HydrophobicContact CG1-CD1 4.25Å; I411-F435 HydrophobicContact CG1-CE1 3.7Å; V416-F435 HydrophobicContact CG2-CD1 4.39Å; V416-F435 HydrophobicContact CG2-CE1 4Å; V416-F435 HydrophobicContact CG2-CZ 4.48Å; L429-F435 HydrophobicContact CD1-CB 3.81Å; L429-F435 HydrophobicContact CD1-CD1 3.74Å; L429-F435 HydrophobicContact CD1-CG 4.08Å; F435-I450 HydrophobicContact CD2-CD1 4.08Å; F435-I450 HydrophobicContact CD2-CG1 3.77Å; F435-I450 HydrophobicContact CD2-CG2 4.4Å; F435-I450 HydrophobicContact CE2-CB 4.24Å; F435-I450 HydrophobicContact CE2-CG1 3.89Å; F435-I450 HydrophobicContact CE2-CG2 3.83Å; F435-I450 HydrophobicContact CG-CD1 4.38Å; F435-I450 HydrophobicContact CZ-CG2 3.94Å; F435-F459 HydrophobicContact CE1-CD1 4.29Å; F435-F459 HydrophobicContact CE1-CE1 4.18Å; F435-F459 HydrophobicContact CZ-CD1 4.18Å; F435-F459 HydrophobicContact CZ-CE1 4.09Å |
| 436 | G | 78.6 | Confident | 75.3 | Confident | 9 Ų | 9 | 36.2 Ų | 36.2 | 9% | 0.093 | 21% | 0.208 | C | C | . | . | trans | 84.1 | 5.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | R446 | G436-R446 VanDerWaalsContact CA-NH1 3.27Å; G436-R446 PolarHBondContact O-NH1 2.71Å | ||
| 437 | K | 73 | Confident | 75 | Confident | 80 Ų | 80 | 36.6 Ų | 36.6 | 35% | 0.348 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.7 | -39.8 | 178.8 | -177.9 | 177.2 | 176.7 | 176.9 | 0 | 113.8 | W408 A439 L440 V441 F467 | W408-K437 HydrophobicContact CG-CB 4.31Å; K437-A439 PolarHBondContact O-N 2.83Å; K437-L440 WeakPolarHBondContact O-CB 3.45Å; K437-L440 PolarHBondContact O-N 3.07Å; K437-V441 HydrophobicContact CG-CG2 4.41Å; K437-V441 PolarHBondContact O-N 2.99Å; K437-F467 HydrophobicContact CG-CZ 4.4Å |
| 438 | L | 66.3 | Low | 74.9 | Confident | 45 Ų | 45 | 36.5 Ų | 36.5 | 24% | 0.236 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.4 | -45.3 | -170.6 | -178.7 | 75.4 | 0 | 0 | 0 | 113.6 | V103 L440 V441 N442 | V103-L438 HydrophobicContact CB-CD1 4.11Å; V103-L438 HydrophobicContact CB-CD2 3.46Å; V103-L438 VanDerWaalsContact CB-CD2 3.46Å; V103-L438 HydrophobicContact CB-CG 4.42Å; V103-L438 HydrophobicContact CG1-CD1 4.43Å; V103-L438 HydrophobicContact CG1-CD2 4.16Å; V103-L438 HydrophobicContact CG2-CD2 3.5Å; V103-L438 VanDerWaalsContact CG2-CD2 3.5Å; L438-L440 PolarHBondContact O-N 2.88Å; L438-V441 PolarHBondContact O-N 3.32Å; L438-V441 VanDerWaalsContact O-N 3.1Å; L438-N442 WeakPolarHBondContact CD1-ND2 3.47Å; L438-N442 PolarHBondContact O-N 2.99Å; L438-N442 VanDerWaalsContact O-N 3.1Å |
| 439 | A | 64.8 | Low | 75 | Confident | 5 Ų | 5 | 36.4 Ų | 36.4 | 4% | 0.041 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.1 | -23.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | G405 K437 D443 A444 | G405-A439 VanDerWaalsContact CA-CB 3.5Å; K437-A439 PolarHBondContact O-N 2.83Å; A439-D443 PolarHBondContact O-N 3.44Å; A439-A444 VanDerWaalsContact CB-O 3.29Å; A439-A444 WeakPolarHBondContact CB-O 3.41Å |
| 440 | L | 73 | Confident | 75.4 | Confident | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -75.5 | -35.7 | 174.6 | -52.3 | -173.9 | 0 | 0 | 0 | 112.6 | G405 W408 K437 L438 K464 F467 | G405-L440 WeakPolarHBondContact O-CD2 3.29Å; W408-L440 HydrophobicContact CB-CD1 3.59Å; K437-L440 WeakPolarHBondContact O-CB 3.45Å; K437-L440 PolarHBondContact O-N 3.07Å; L438-L440 PolarHBondContact O-N 2.88Å; L440-K464 HydrophobicContact CD2-CB 3.76Å; L440-K464 HydrophobicContact CD2-CG 3.91Å; L440-F467 HydrophobicContact CB-CD1 3.92Å; L440-F467 HydrophobicContact CB-CE1 4.07Å; L440-F467 HydrophobicContact CB-CG 4.48Å; L440-F467 HydrophobicContact CD1-CB 4.03Å; L440-F467 HydrophobicContact CD1-CD1 4.06Å; L440-F467 HydrophobicContact CD1-CD2 4.03Å; L440-F467 HydrophobicContact CD1-CG 3.77Å |
| 441 | V | 68.4 | Low | 75.6 | Confident | 85 Ų | 85 | 36.7 Ų | 36.7 | 52% | 0.515 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -80.2 | -42.6 | -174.3 | 179.7 | 0 | 0 | 0 | 0 | 111.4 | K437 L438 F467 | K437-V441 HydrophobicContact CG-CG2 4.41Å; K437-V441 PolarHBondContact O-N 2.99Å; L438-V441 PolarHBondContact O-N 3.32Å; L438-V441 VanDerWaalsContact O-N 3.1Å; V441-F467 HydrophobicContact CG2-CE1 3.96Å; V441-F467 HydrophobicContact CG2-CZ 4.07Å |
| 442 | N | 66.6 | Low | 75.8 | Confident | 96 Ų | 96 | 32.5 Ų | 32.5 | 51% | 0.513 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -98.2 | 0.3 | -171.7 | -66.4 | -6.4 | 0 | 0 | 0 | 113.6 | L438 A444 | L438-N442 WeakPolarHBondContact CD1-ND2 3.47Å; L438-N442 PolarHBondContact O-N 2.99Å; L438-N442 VanDerWaalsContact O-N 3.1Å; N442-A444 HydrophobicContact CB-CB 4.09Å; N442-A444 PolarHBondContact O-N 2.87Å |
| 443 | D | 70.8 | Confident | 76.1 | Confident | 119 Ų | 119 | 31.3 Ų | 31.3 | 64% | 0.636 | 18% | 0.183 | S | C | * | . | trans | 49.1 | 39.1 | -171.6 | -154.6 | 25.7 | 0 | 0 | 0 | 112.7 | A439 K464 | A439-D443 PolarHBondContact O-N 3.44Å; D443-K464 WeakPolarHBondContact OD1-CE 3.36Å; D443-K464 IonicContact OD1-NZ 2.83Å; D443-K464 PolarHBondContact OD1-NZ 3.36Å | ||
| 444 | A | 65.9 | Low | 76.3 | Confident | 34 Ų | 34 | 32.8 Ų | 32.8 | 28% | 0.281 | 19% | 0.19 | S | C | . | . | trans | -108.1 | 153.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | A439 N442 | A439-A444 VanDerWaalsContact CB-O 3.29Å; A439-A444 WeakPolarHBondContact CB-O 3.41Å; N442-A444 HydrophobicContact CB-CB 4.09Å; N442-A444 PolarHBondContact O-N 2.87Å | ||
| 445 | P | 72.1 | Confident | 76.4 | Confident | 86 Ų | 86 | 35.7 Ų | 35.7 | 56% | 0.558 | 21% | 0.206 | S | C | * | . | trans | -58.5 | 157.5 | 172.9 | -23.3 | 33.7 | 0 | 0 | 0 | 113.2 | E403 A447 | E403-P445 CarbonylContact O-C 3.58Å; E403-P445 VanDerWaalsContact O-CA 3.29Å; E403-P445 WeakPolarHBondContact O-CA 3.22Å; P445-A447 PolarHBondContact O-N 3.05Å | ||
| 446 | R | 77 | Confident | 76.4 | Confident | 7 Ų | 7 | 36.9 Ų | 36.9 | 3% | 0.026 | 21% | 0.212 | C | C | . | . | trans | -59.4 | 123 | 174.6 | -66.7 | -60.5 | -168.9 | -172.2 | 2.8 | 110.6 | F399 H400 Q401 G402 E403 S407 G436 A448 | F399-R446 HydrophobicContact CD2-CB 4.21Å; F399-R446 HydrophobicContact CD2-CG 3.69Å; F399-R446 HydrophobicContact CE2-CB 4.36Å; F399-R446 HydrophobicContact CE2-CG 4Å; F399-R446 HydrophobicContact CG-CG 4.39Å; H400-R446 WeakPolarHBondContact O-CB 3.37Å; Q401-R446 CarbonylContact C-O 3.58Å; Q401-R446 WeakPolarHBondContact CA-O 3.36Å; Q401-R446 WeakPolarHBondContact CG-O 3.36Å; G402-R446 PolarHBondContact N-O 3.36Å; E403-R446 HydrophobicContact CB-CG 4.27Å; E403-R446 WeakPolarHBondContact O-CG 3.32Å; E403-R446 PolarHBondContact O-N 2.88Å; S407-R446 PolarHBondContact O-NH1 2.72Å; S407-R446 PolarHBondContact O-NH2 2.77Å; G436-R446 VanDerWaalsContact CA-NH1 3.27Å; G436-R446 PolarHBondContact O-NH1 2.71Å; R446-A448 VanDerWaalsContact C-N 3.3Å; R446-A448 PolarHBondContact O-N 3.48Å | ||
| 447 | A | 66.6 | Low | 76.9 | Confident | 25 Ų | 25 | 36.4 Ų | 36.4 | 21% | 0.207 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -77.2 | -13.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | I105 Q401 P445 | I105-A447 HydrophobicContact CG2-CB 3.97Å; Q401-A447 PolarHBondContact NE2-O 2.92Å; P445-A447 PolarHBondContact O-N 3.05Å |
| 448 | A | 72.4 | Confident | 77.8 | Confident | 8 Ų | 8 | 33.5 Ų | 33.5 | 7% | 0.066 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -150.1 | 158.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | F399 V418 I420 R446 | F399-A448 WeakPolarHBondContact CE2-O 3.23Å; V418-A448 HydrophobicContact CG1-CB 3.66Å; I420-A448 HydrophobicContact CD1-CB 4.37Å; I420-A448 HydrophobicContact CG1-CB 3.76Å; R446-A448 VanDerWaalsContact C-N 3.3Å; R446-A448 PolarHBondContact O-N 3.48Å |
| 449 | S | 79.7 | Confident | 79.1 | Confident | 6 Ų | 6 | 31.3 Ų | 31.3 | 4% | 0.042 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 148.4 | 167.7 | -45.6 | 0 | 0 | 0 | 0 | 109.8 | F399 Q401 V419 | F399-S449 VanDerWaalsContact O-CA 3.29Å; F399-S449 WeakPolarHBondContact O-CA 3.4Å; Q401-S449 PolarHBondContact N-OG 2.96Å; V419-S449 PolarHBondContact N-O 3.36Å; V419-S449 PolarHBondContact O-N 2.86Å |
| 450 | I | 89.2 | Confident | 80.5 | Confident | 5 Ų | 5 | 31.1 Ų | 31.1 | 3% | 0.026 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 125.9 | 176.1 | -58.1 | -65.3 | 0 | 0 | 0 | 109.5 | V397 L398 F399 V416 V418 F435 | V397-I450 WeakPolarHBondContact CA-O 3.46Å; L398-I450 HydrophobicContact CB-CB 4.2Å; L398-I450 HydrophobicContact CB-CG2 4.26Å; L398-I450 HydrophobicContact CD1-CG2 3.77Å; L398-I450 PolarHBondContact N-O 3.19Å; F399-I450 HydrophobicContact CD2-CG1 4.31Å; F399-I450 HydrophobicContact CE1-CB 4.32Å; F399-I450 HydrophobicContact CE1-CG1 3.86Å; F399-I450 HydrophobicContact CE2-CB 4.31Å; F399-I450 HydrophobicContact CE2-CG1 3.5Å; F399-I450 HydrophobicContact CZ-CB 4.13Å; F399-I450 HydrophobicContact CZ-CD1 4.37Å; F399-I450 HydrophobicContact CZ-CG1 3.25Å; F399-I450 PolarHBondContact O-N 3.44Å; V416-I450 HydrophobicContact CB-CG2 3.72Å; V416-I450 HydrophobicContact CG1-CG2 4.11Å; V416-I450 HydrophobicContact CG2-CG2 3.74Å; V418-I450 HydrophobicContact CB-CD1 4.25Å; V418-I450 HydrophobicContact CG1-CD1 4.14Å; V418-I450 HydrophobicContact CG2-CD1 3.81Å; F435-I450 HydrophobicContact CD2-CD1 4.08Å; F435-I450 HydrophobicContact CD2-CG1 3.77Å; F435-I450 HydrophobicContact CD2-CG2 4.4Å; F435-I450 HydrophobicContact CE2-CB 4.24Å; F435-I450 HydrophobicContact CE2-CG1 3.89Å; F435-I450 HydrophobicContact CE2-CG2 3.83Å; F435-I450 HydrophobicContact CG-CD1 4.38Å; F435-I450 HydrophobicContact CZ-CG2 3.94Å |
| 451 | V | 88.3 | Confident | 81.6 | Confident | 22 Ų | 22 | 33.6 Ų | 33.6 | 13% | 0.133 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 131.9 | -177 | -171.2 | 0 | 0 | 0 | 0 | 109.5 | G395 T396 V397 V416 N417 V419 R453 | G395-V451 WeakPolarHBondContact O-CG1 3.36Å; T396-V451 WeakPolarHBondContact O-CA 3.4Å; V397-V451 HydrophobicContact CG1-CG2 4.46Å; V397-V451 HydrophobicContact CG2-CG1 4.44Å; V397-V451 HydrophobicContact CG2-CG2 4.13Å; V416-V451 CarbonylContact C-O 3.48Å; V416-V451 VanDerWaalsContact CA-O 3.32Å; V416-V451 WeakPolarHBondContact CA-O 3.48Å; N417-V451 PolarHBondContact N-O 2.9Å; N417-V451 PolarHBondContact O-N 2.81Å; V419-V451 HydrophobicContact CG2-CG2 4.1Å; V451-R453 PolarHBondContact O-N 3.24Å |
| 452 | L | 89.9 | Confident | 82.7 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 134.6 | 176.4 | -89 | 66.4 | 0 | 0 | 0 | 111.2 | H391 G395 T396 L398 V416 C457 F459 | H391-L452 HydrophobicContact CB-CD2 3.42Å; H391-L452 VanDerWaalsContact CB-CD2 3.42Å; G395-L452 PolarHBondContact N-O 3.35Å; T396-L452 WeakPolarHBondContact O-CD1 3.39Å; T396-L452 PolarHBondContact O-N 2.96Å; L398-L452 HydrophobicContact CD1-CD1 3.84Å; L398-L452 HydrophobicContact CG-CD1 3.74Å; V416-L452 HydrophobicContact CG1-CD1 4.24Å; V416-L452 HydrophobicContact CG1-CG 4.38Å; L452-C457 HydrophobicContact CD2-CB 3.67Å; L452-C457 HydrophobicContact CG-CB 4.01Å; L452-F459 HydrophobicContact CD1-CE2 4.23Å; L452-F459 HydrophobicContact CD1-CZ 4.04Å; L452-F459 HydrophobicContact CG-CZ 4.34Å |
| 453 | R | 84.6 | Confident | 84 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 0% | 0.004 | 15% | 0.152 | C | C | . | . | trans | -95 | -29.7 | 179.1 | -178.5 | 177.9 | 179.4 | 80 | 0.1 | 112.6 | G157 L159 V165 S168 S415 N417 T428 V451 | G157-R453 VanDerWaalsContact C-NH2 3.32Å; G157-R453 PolarHBondContact O-NE 3.5Å; G157-R453 PolarHBondContact O-NH2 3.23Å; L159-R453 PolarHBondContact O-NH2 3.41Å; V165-R453 PolarHBondContact O-NH1 3.07Å; V165-R453 PolarHBondContact O-NH2 3.49Å; S168-R453 PolarHBondContact N-O 3.33Å; S415-R453 WeakPolarHBondContact O-CB 3.39Å; S415-R453 PolarHBondContact O-N 3.1Å; N417-R453 PolarHBondContact OD1-NH1 3.49Å; T428-R453 VanDerWaalsContact CG2-CD 3.43Å; V451-R453 PolarHBondContact O-N 3.24Å | ||
| 454 | E | 85.2 | Confident | 84.8 | Confident | 34 Ų | 34 | 22.9 Ų | 22.9 | 16% | 0.159 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -130.7 | 162.4 | 179.8 | 63.8 | -165.4 | 133.5 | 0 | 0 | 111.8 | R47 G414 S415 C457 | R47-E454 IonicContact NH1-OE1 3.6Å; R47-E454 IonicContact NH2-OE1 3.28Å; R47-E454 IonicContact NH2-OE2 3.74Å; G414-E454 WeakPolarHBondContact CA-OE1 3.45Å; S415-E454 VanDerWaalsContact CB-OE1 3.25Å; S415-E454 WeakPolarHBondContact CB-OE1 3.45Å; S415-E454 PolarHBondContact N-OE1 2.8Å; S415-E454 PolarHBondContact OG-OE1 2.96Å; E454-C457 PolarHBondContact O-SG 3.05Å |
| 455 | D | 86.7 | Confident | 85.9 | Confident | 77 Ų | 77 | 29 Ų | 29 | 41% | 0.412 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -68.8 | 159 | 174.8 | -73.4 | -9.4 | 0 | 0 | 0 | 110.4 | N169 E392 R393 A394 C457 | N169-D455 PolarHBondContact ND2-OD2 2.83Å; E392-D455 VanDerWaalsContact O-CA 3.32Å; E392-D455 WeakPolarHBondContact O-CA 3.47Å; E392-D455 VanDerWaalsContact O-CB 3.23Å; E392-D455 WeakPolarHBondContact O-CB 3.22Å; R393-D455 WeakPolarHBondContact CA-OD1 3.46Å; A394-D455 WeakPolarHBondContact CB-OD1 3.46Å; A394-D455 PolarHBondContact N-OD1 3.11Å; D455-C457 PolarHBondContact O-N 3.43Å |
| 456 | D | 84.9 | Confident | 86.7 | Confident | 26 Ų | 26 | 26.3 Ų | 26.3 | 14% | 0.139 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 54.2 | 50.4 | 173.4 | -163.4 | 38.4 | 0 | 0 | 0 | 115 | Q211 H391 E392 K413 H458 | Q211-D456 PolarHBondContact NE2-OD2 3.3Å; H391-D456 CarbonylContact O-C 3.53Å; H391-D456 VanDerWaalsContact O-CA 3.27Å; H391-D456 WeakPolarHBondContact O-CA 3.48Å; H391-D456 PolarHBondContact O-N 3.42Å; E392-D456 PolarHBondContact O-N 3.33Å; K413-D456 IonicContact NZ-OD2 2.65Å; K413-D456 PolarHBondContact NZ-OD2 3.02Å; D456-H458 IonicContact OD1-CE1 3.24Å; D456-H458 PolarHBondContact OD1-CE1 2.59Å; D456-H458 IonicContact OD1-ND1 3.4Å; D456-H458 IonicContact OD2-CE1 3.76Å |
| 457 | C | 89.1 | Confident | 87 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 145.5 | 174.7 | -66.5 | 0 | 0 | 0 | 0 | 111.2 | S390 H391 K413 L452 E454 D455 F459 | S390-C457 VanDerWaalsContact CA-O 3.32Å; S390-C457 WeakPolarHBondContact CA-O 3.18Å; H391-C457 PolarHBondContact N-O 2.68Å; H391-C457 PolarHBondContact O-N 3.5Å; K413-C457 CarbonylContact O-C 3.59Å; K413-C457 VanDerWaalsContact O-CA 3.3Å; K413-C457 WeakPolarHBondContact O-CA 3.44Å; L452-C457 HydrophobicContact CD2-CB 3.67Å; L452-C457 HydrophobicContact CG-CB 4.01Å; E454-C457 PolarHBondContact O-SG 3.05Å; D455-C457 PolarHBondContact O-N 3.43Å; C457-F459 HydrophobicContact CB-CE2 3.56Å; C457-F459 HydrophobicContact CB-CZ 3.56Å |
| 458 | H | 92.5 | Very high | 87.8 | Confident | 18 Ų | 18 | 28 Ų | 28 | 8% | 0.083 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 137.3 | 179 | -57.5 | -14.4 | 0 | 0 | 0 | 110.6 | F388 E389 L412 K413 D456 | F388-H458 HydrophobicContact CE2-CB 3.84Å; F388-H458 HydrophobicContact CZ-CB 3.99Å; F388-H458 AromaticContact CZ-CG 3.8Å; E389-H458 CarbonylContact O-C 3.48Å; L412-H458 HydrophobicContact CB-CB 4.05Å; L412-H458 PolarHBondContact N-O 2.83Å; K413-H458 HydrophobicContact CB-CB 3.75Å; K413-H458 VanDerWaalsContact CD-CD2 3.5Å; K413-H458 WeakPolarHBondContact CD-CD2 3.31Å; K413-H458 WeakPolarHBondContact CD-NE2 3.3Å; K413-H458 PolarHBondContact N-O 3.44Å; K413-H458 PolarHBondContact O-N 2.84Å; D456-H458 IonicContact OD1-CE1 3.24Å; D456-H458 PolarHBondContact OD1-CE1 2.59Å; D456-H458 IonicContact OD1-ND1 3.4Å; D456-H458 IonicContact OD2-CE1 3.76Å |
| 459 | F | 93.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 145.7 | -176.1 | -51.8 | -84.7 | 0 | 0 | 0 | 111.3 | E389 H391 L398 Y409 I410 I411 V416 F435 L452 C457 | E389-F459 PolarHBondContact N-O 2.88Å; E389-F459 PolarHBondContact O-N 3.45Å; H391-F459 AromaticContact CD2-CE2 3.86Å; L398-F459 HydrophobicContact CD1-CE1 4.03Å; L398-F459 HydrophobicContact CD1-CE2 4.08Å; L398-F459 HydrophobicContact CD1-CZ 3.77Å; Y409-F459 HydrophobicContact CD1-CB 4.17Å; I410-F459 CarbonylContact O-C 3.58Å; I410-F459 VanDerWaalsContact O-CA 3.24Å; I410-F459 WeakPolarHBondContact O-CA 3.29Å; I411-F459 HydrophobicContact CB-CD1 4.48Å; I411-F459 HydrophobicContact CG1-CD1 4.06Å; I411-F459 HydrophobicContact CG1-CE1 3.94Å; I411-F459 HydrophobicContact CG2-CE1 4.34Å; V416-F459 HydrophobicContact CG1-CE1 3.72Å; V416-F459 HydrophobicContact CG1-CZ 3.65Å; F435-F459 HydrophobicContact CE1-CD1 4.29Å; F435-F459 HydrophobicContact CE1-CE1 4.18Å; F435-F459 HydrophobicContact CZ-CD1 4.18Å; F435-F459 HydrophobicContact CZ-CE1 4.09Å; L452-F459 HydrophobicContact CD1-CE2 4.23Å; L452-F459 HydrophobicContact CD1-CZ 4.04Å; L452-F459 HydrophobicContact CG-CZ 4.34Å; C457-F459 HydrophobicContact CB-CE2 3.56Å; C457-F459 HydrophobicContact CB-CZ 3.56Å |
| 460 | L | 94.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 131.7 | 156 | -65.6 | 179.8 | 0 | 0 | 0 | 108.8 | L346 L365 I368 L386 I387 Y409 I410 L412 | L346-L460 HydrophobicContact CD1-CD2 3.4Å; L346-L460 VanDerWaalsContact CD1-CD2 3.4Å; L365-L460 HydrophobicContact CD2-CD1 4.33Å; I368-L460 HydrophobicContact CD1-CD1 3.5Å; L386-L460 HydrophobicContact CD1-CD1 4.49Å; L386-L460 HydrophobicContact CD2-CB 3.98Å; L386-L460 HydrophobicContact CD2-CD1 4.4Å; I387-L460 CarbonylContact O-C 3.5Å; I387-L460 WeakPolarHBondContact O-CA 3.46Å; Y409-L460 CarbonylContact C-O 3.5Å; Y409-L460 VanDerWaalsContact CA-O 3.28Å; Y409-L460 WeakPolarHBondContact CA-O 3.25Å; I410-L460 HydrophobicContact CB-CB 4.23Å; I410-L460 PolarHBondContact N-O 2.84Å; I410-L460 PolarHBondContact O-N 2.6Å; L412-L460 HydrophobicContact CD1-CD1 4.44Å; L412-L460 HydrophobicContact CD1-CD2 3.71Å; L412-L460 HydrophobicContact CD1-CG 3.69Å; L412-L460 HydrophobicContact CD2-CD1 3.96Å; L412-L460 HydrophobicContact CD2-CG 3.93Å; L412-L460 HydrophobicContact CG-CD1 4.39Å; L412-L460 HydrophobicContact CG-CD2 4.38Å; L412-L460 HydrophobicContact CG-CG 3.8Å |
| 461 | R | 94.6 | Very high | 88 | Confident | 57 Ų | 57 | 36.2 Ų | 36.2 | 22% | 0.215 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 137.4 | -179.5 | -168.7 | -175.7 | 84.8 | -168 | 11 | 111.2 | I387 E389 S407 W408 Y409 D463 | I387-R461 HydrophobicContact CB-CB 4.35Å; I387-R461 PolarHBondContact N-O 3.08Å; I387-R461 PolarHBondContact O-N 3.28Å; E389-R461 VanDerWaalsContact OE2-CD 3.28Å; E389-R461 WeakPolarHBondContact OE2-CD 3.49Å; E389-R461 IonicContact OE2-CZ 2.63Å; E389-R461 IonicContact OE2-NE 2.66Å; E389-R461 IonicContact OE2-NH1 2.84Å; E389-R461 PolarHBondContact OE2-NH1 3.09Å; S407-R461 VanDerWaalsContact CB-CG 3.47Å; W408-R461 CarbonylContact O-C 3.47Å; W408-R461 WeakPolarHBondContact O-CA 3.33Å; Y409-R461 HydrophobicContact CD1-CB 4.13Å; Y409-R461 HydrophobicContact CD1-CG 3.96Å; Y409-R461 HydrophobicContact CE1-CB 4.08Å; Y409-R461 HydrophobicContact CE1-CG 3.6Å; Y409-R461 HydrophobicContact CE2-CG 4.47Å; R461-D463 IonicContact CZ-OD1 3.06Å; R461-D463 IonicContact CZ-OD2 3.81Å; R461-D463 IonicContact NE-OD1 2.7Å; R461-D463 PolarHBondContact NE-OD1 3.25Å; R461-D463 IonicContact NE-OD2 3.58Å; R461-D463 IonicContact NH2-OD1 2.83Å; R461-D463 PolarHBondContact NH2-OD1 2.83Å; R461-D463 IonicContact NH2-OD2 2.72Å; R461-D463 PolarHBondContact NH2-OD2 3.39Å |
| 462 | V | 92.8 | Very high | 87.4 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 123.7 | 168.8 | -174.1 | 0 | 0 | 0 | 0 | 108.2 | L382 V385 L386 S407 W408 D466 F467 | L382-V462 HydrophobicContact CD2-CG1 4.24Å; L382-V462 HydrophobicContact CD2-CG2 3.68Å; V385-V462 HydrophobicContact CG2-CG1 4.29Å; L386-V462 HydrophobicContact CD2-CG2 3.45Å; L386-V462 VanDerWaalsContact CD2-CG2 3.45Å; L386-V462 HydrophobicContact CG-CG2 4.3Å; S407-V462 CarbonylContact C-O 3.46Å; S407-V462 VanDerWaalsContact CA-O 3.27Å; S407-V462 WeakPolarHBondContact CA-O 3.44Å; W408-V462 HydrophobicContact CE3-CB 4.15Å; W408-V462 HydrophobicContact CE3-CG2 3.88Å; W408-V462 HydrophobicContact CZ3-CG2 4.27Å; W408-V462 PolarHBondContact N-O 3.05Å; W408-V462 PolarHBondContact O-N 2.99Å; V462-D466 HydrophobicContact CG1-CB 4.39Å; V462-F467 HydrophobicContact CG1-CB 4.06Å |
| 463 | D | 93.1 | Very high | 86.8 | Confident | 38 Ų | 38 | 45 Ų | 45 | 20% | 0.203 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 153.9 | -178.9 | -67.5 | -19.8 | 0 | 0 | 0 | 111.6 | I387 S407 R461 E465 D466 F467 | I387-D463 WeakPolarHBondContact CD1-OD2 3.35Å; S407-D463 PolarHBondContact OG-OD1 2.93Å; R461-D463 IonicContact CZ-OD1 3.06Å; R461-D463 IonicContact CZ-OD2 3.81Å; R461-D463 IonicContact NE-OD1 2.7Å; R461-D463 PolarHBondContact NE-OD1 3.25Å; R461-D463 IonicContact NE-OD2 3.58Å; R461-D463 IonicContact NH2-OD1 2.83Å; R461-D463 PolarHBondContact NH2-OD1 2.83Å; R461-D463 IonicContact NH2-OD2 2.72Å; R461-D463 PolarHBondContact NH2-OD2 3.39Å; D463-E465 VanDerWaalsContact C-N 3.28Å; D463-E465 PolarHBondContact O-N 3.38Å; D463-D466 PolarHBondContact O-N 3.28Å; D463-F467 WeakPolarHBondContact O-CB 3.48Å; D463-F467 PolarHBondContact O-N 3.15Å |
| 464 | K | 87.8 | Confident | 86.2 | Confident | 36 Ų | 36 | 46.4 Ų | 46.4 | 16% | 0.157 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -53.7 | -42.1 | -173.9 | -171.8 | -176.3 | -169.5 | 169.1 | 0 | 112.9 | E404 G405 T406 L440 D443 N468 | E404-K464 IonicContact OE1-NZ 3.98Å; E404-K464 PolarHBondContact OE1-NZ 3.33Å; G405-K464 WeakPolarHBondContact O-CD 3.29Å; T406-K464 WeakPolarHBondContact O-CB 3.44Å; T406-K464 PolarHBondContact O-N 2.88Å; L440-K464 HydrophobicContact CD2-CB 3.76Å; L440-K464 HydrophobicContact CD2-CG 3.91Å; D443-K464 WeakPolarHBondContact OD1-CE 3.36Å; D443-K464 IonicContact OD1-NZ 2.83Å; D443-K464 PolarHBondContact OD1-NZ 3.36Å; K464-N468 WeakPolarHBondContact O-CB 3.38Å; K464-N468 PolarHBondContact O-N 2.81Å; K464-N468 PolarHBondContact O-ND2 3.4Å |
| 465 | E | 88.6 | Confident | 85.5 | Confident | 163 Ų | 163 | 49.7 Ų | 49.7 | 76% | 0.762 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -64.3 | -47.2 | -179.3 | -66.7 | -173.6 | -179.1 | 0 | 0 | 111.6 | D463 R469 | D463-E465 VanDerWaalsContact C-N 3.28Å; D463-E465 PolarHBondContact O-N 3.38Å; E465-R469 VanDerWaalsContact O-CB 3.25Å; E465-R469 WeakPolarHBondContact O-CB 3.47Å; E465-R469 PolarHBondContact O-N 3.11Å |
| 466 | D | 89.9 | Confident | 84.7 | Confident | 29 Ų | 29 | 49.8 Ų | 49.8 | 16% | 0.155 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.2 | -43.4 | 176.8 | -71.5 | -47.6 | 0 | 0 | 0 | 111.2 | V385 V462 D463 N468 R469 I470 | V385-D466 HydrophobicContact CB-CB 3.95Å; V385-D466 HydrophobicContact CG1-CB 4.03Å; V385-D466 HydrophobicContact CG2-CB 4.16Å; V462-D466 HydrophobicContact CG1-CB 4.39Å; D463-D466 PolarHBondContact O-N 3.28Å; D466-N468 PolarHBondContact O-N 3.02Å; D466-R469 PolarHBondContact O-N 3.19Å; D466-R469 IonicContact OD1-CZ 3.76Å; D466-R469 IonicContact OD1-NH1 3.13Å; D466-R469 PolarHBondContact OD1-NH1 3.07Å; D466-R469 IonicContact OD1-NH2 3.66Å; D466-R469 PolarHBondContact OD1-NH2 3.48Å; D466-I470 VanDerWaalsContact O-CG1 3.25Å; D466-I470 WeakPolarHBondContact O-CG1 3.47Å; D466-I470 PolarHBondContact O-N 3.1Å |
| 467 | F | 83.9 | Confident | 84.2 | Confident | 23 Ų | 23 | 50.1 Ų | 50.1 | 10% | 0.101 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -55.7 | -50.5 | 176.2 | -178.8 | -92.4 | 0 | 0 | 0 | 111.4 | W408 K437 L440 V441 V462 D463 I470 L471 | W408-F467 HydrophobicContact CE3-CD2 4.42Å; W408-F467 HydrophobicContact CE3-CE2 4.47Å; K437-F467 HydrophobicContact CG-CZ 4.4Å; L440-F467 HydrophobicContact CB-CD1 3.92Å; L440-F467 HydrophobicContact CB-CE1 4.07Å; L440-F467 HydrophobicContact CB-CG 4.48Å; L440-F467 HydrophobicContact CD1-CB 4.03Å; L440-F467 HydrophobicContact CD1-CD1 4.06Å; L440-F467 HydrophobicContact CD1-CD2 4.03Å; L440-F467 HydrophobicContact CD1-CG 3.77Å; V441-F467 HydrophobicContact CG2-CE1 3.96Å; V441-F467 HydrophobicContact CG2-CZ 4.07Å; V462-F467 HydrophobicContact CG1-CB 4.06Å; D463-F467 WeakPolarHBondContact O-CB 3.48Å; D463-F467 PolarHBondContact O-N 3.15Å; F467-I470 PolarHBondContact O-N 3.31Å; F467-L471 HydrophobicContact CD1-CD1 4Å; F467-L471 HydrophobicContact CE1-CD1 3.47Å; F467-L471 VanDerWaalsContact CE1-CD1 3.47Å; F467-L471 HydrophobicContact CE1-CG 4.42Å; F467-L471 HydrophobicContact CZ-CD1 3.98Å; F467-L471 WeakPolarHBondContact O-CG 3.41Å; F467-L471 PolarHBondContact O-N 2.99Å; F467-L471 VanDerWaalsContact O-N 3.16Å |
| 468 | N | 81.7 | Confident | 83.7 | Confident | 44 Ų | 44 | 51.3 Ų | 51.3 | 24% | 0.235 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.3 | -33.7 | 178.5 | -72.4 | -29.4 | 0 | 0 | 0 | 112.2 | K464 D466 L471 R472 | K464-N468 WeakPolarHBondContact O-CB 3.38Å; K464-N468 PolarHBondContact O-N 2.81Å; K464-N468 PolarHBondContact O-ND2 3.4Å; D466-N468 PolarHBondContact O-N 3.02Å; N468-L471 PolarHBondContact O-N 2.65Å; N468-R472 WeakPolarHBondContact O-CB 3.5Å; N468-R472 WeakPolarHBondContact O-CG 3.46Å; N468-R472 PolarHBondContact O-N 3.36Å |
| 469 | R | 87.1 | Confident | 83 | Confident | 91 Ų | 91 | 52.8 Ų | 52.8 | 34% | 0.343 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.7 | -49 | 173.5 | -176.6 | 179.7 | 75.3 | -127.3 | -6.5 | 110.7 | E465 D466 L471 R472 D473 | E465-R469 VanDerWaalsContact O-CB 3.25Å; E465-R469 WeakPolarHBondContact O-CB 3.47Å; E465-R469 PolarHBondContact O-N 3.11Å; D466-R469 PolarHBondContact O-N 3.19Å; D466-R469 IonicContact OD1-CZ 3.76Å; D466-R469 IonicContact OD1-NH1 3.13Å; D466-R469 PolarHBondContact OD1-NH1 3.07Å; D466-R469 IonicContact OD1-NH2 3.66Å; D466-R469 PolarHBondContact OD1-NH2 3.48Å; R469-L471 VanDerWaalsContact C-N 3.31Å; R469-L471 PolarHBondContact O-N 3.11Å; R469-R472 PolarHBondContact O-N 3.41Å; R469-R472 VanDerWaalsContact O-N 3.14Å; R469-D473 VanDerWaalsContact CG-OD2 3.29Å; R469-D473 WeakPolarHBondContact CG-OD2 3.42Å; R469-D473 WeakPolarHBondContact O-CB 3.37Å; R469-D473 PolarHBondContact O-N 3.36Å |
| 470 | I | 84.1 | Confident | 82.4 | Confident | 6 Ų | 6 | 58.2 Ų | 58.2 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.8 | -44.5 | 179.1 | -66.8 | 173.4 | 0 | 0 | 0 | 110.6 | V378 E381 L382 V385 D466 F467 R472 D473 V474 | V378-I470 HydrophobicContact CG1-CG2 4.26Å; V378-I470 HydrophobicContact CG2-CG2 4.43Å; E381-I470 HydrophobicContact CB-CD1 3.96Å; E381-I470 HydrophobicContact CB-CG1 3.92Å; E381-I470 HydrophobicContact CB-CG2 4.04Å; L382-I470 HydrophobicContact CD2-CD1 3.92Å; L382-I470 HydrophobicContact CG-CD1 4.36Å; V385-I470 HydrophobicContact CG1-CD1 4.47Å; V385-I470 HydrophobicContact CG2-CD1 3.61Å; D466-I470 VanDerWaalsContact O-CG1 3.25Å; D466-I470 WeakPolarHBondContact O-CG1 3.47Å; D466-I470 PolarHBondContact O-N 3.1Å; F467-I470 PolarHBondContact O-N 3.31Å; I470-R472 PolarHBondContact O-N 3.22Å; I470-D473 PolarHBondContact O-N 3.33Å; I470-V474 HydrophobicContact CG2-CG2 4.35Å; I470-V474 WeakPolarHBondContact O-CB 3.49Å; I470-V474 WeakPolarHBondContact O-CG2 3.36Å; I470-V474 PolarHBondContact O-N 2.85Å |
| 471 | L | 74.5 | Confident | 81.4 | Confident | 94 Ų | 94 | 62.1 Ų | 62.1 | 49% | 0.492 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 176.6 | -69.8 | 178.3 | 0 | 0 | 0 | 112.6 | F467 N468 R469 E475 | F467-L471 HydrophobicContact CD1-CD1 4Å; F467-L471 HydrophobicContact CE1-CD1 3.47Å; F467-L471 VanDerWaalsContact CE1-CD1 3.47Å; F467-L471 HydrophobicContact CE1-CG 4.42Å; F467-L471 HydrophobicContact CZ-CD1 3.98Å; F467-L471 WeakPolarHBondContact O-CG 3.41Å; F467-L471 PolarHBondContact O-N 2.99Å; F467-L471 VanDerWaalsContact O-N 3.16Å; N468-L471 PolarHBondContact O-N 2.65Å; R469-L471 VanDerWaalsContact C-N 3.31Å; R469-L471 PolarHBondContact O-N 3.11Å; L471-E475 PolarHBondContact O-N 3.31Å; L471-E475 VanDerWaalsContact O-N 3.14Å |
| 472 | R | 77.1 | Confident | 80.5 | Confident | 149 Ų | 149 | 65.8 Ų | 65.8 | 56% | 0.562 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -66 | -42 | 176.4 | -73.4 | -171.4 | -53.8 | -93.7 | -1.1 | 112.2 | N468 R469 I470 E475 A476 | N468-R472 WeakPolarHBondContact O-CB 3.5Å; N468-R472 WeakPolarHBondContact O-CG 3.46Å; N468-R472 PolarHBondContact O-N 3.36Å; R469-R472 PolarHBondContact O-N 3.41Å; R469-R472 VanDerWaalsContact O-N 3.14Å; I470-R472 PolarHBondContact O-N 3.22Å; R472-E475 PolarHBondContact O-N 3.2Å; R472-A476 WeakPolarHBondContact O-CB 3.32Å; R472-A476 PolarHBondContact O-N 3.28Å |
| 473 | D | 77 | Confident | 79.5 | Confident | 58 Ų | 58 | 69.8 Ų | 69.8 | 31% | 0.31 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69.1 | -37.9 | -177.8 | -70 | -7.4 | 0 | 0 | 0 | 110.6 | R469 I470 A476 N477 | R469-D473 VanDerWaalsContact CG-OD2 3.29Å; R469-D473 WeakPolarHBondContact CG-OD2 3.42Å; R469-D473 WeakPolarHBondContact O-CB 3.37Å; R469-D473 PolarHBondContact O-N 3.36Å; I470-D473 PolarHBondContact O-N 3.33Å; D473-A476 PolarHBondContact O-N 3.34Å; D473-N477 WeakPolarHBondContact O-CB 3.39Å; D473-N477 PolarHBondContact O-N 3.36Å; D473-N477 PolarHBondContact O-ND2 2.89Å |
| 474 | V | 72.4 | Confident | 78.8 | Confident | 30 Ų | 30 | 77.4 Ų | 77.4 | 18% | 0.182 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.9 | -46.8 | 172.1 | 171 | 0 | 0 | 0 | 0 | 110.9 | V378 I470 N477 T478 | V378-V474 HydrophobicContact CG2-CG2 3.82Å; I470-V474 HydrophobicContact CG2-CG2 4.35Å; I470-V474 WeakPolarHBondContact O-CB 3.49Å; I470-V474 WeakPolarHBondContact O-CG2 3.36Å; I470-V474 PolarHBondContact O-N 2.85Å; V474-N477 PolarHBondContact O-N 3.46Å; V474-T478 WeakPolarHBondContact O-CB 3.44Å; V474-T478 PolarHBondContact O-N 3.13Å; V474-T478 VanDerWaalsContact O-N 3.13Å; V474-T478 PolarHBondContact O-OG1 3.34Å |
| 475 | E | 70.8 | Confident | 78.1 | Confident | 103 Ų | 103 | 78.8 Ų | 78.8 | 48% | 0.481 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.7 | -39.8 | 178 | -168 | 63.5 | -159.5 | 0 | 0 | 111.8 | L471 R472 N477 T478 R480 | L471-E475 PolarHBondContact O-N 3.31Å; L471-E475 VanDerWaalsContact O-N 3.14Å; R472-E475 PolarHBondContact O-N 3.2Å; E475-N477 PolarHBondContact O-N 3.38Å; E475-T478 PolarHBondContact O-N 3.08Å; E475-R480 IonicContact OE1-NE 3.91Å; E475-R480 IonicContact OE2-NH2 2.72Å |
| 476 | A | 69.7 | Low | 77.2 | Confident | 79 Ų | 79 | 78 Ų | 78 | 65% | 0.653 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -65.2 | -28.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R472 D473 T478 | R472-A476 WeakPolarHBondContact O-CB 3.32Å; R472-A476 PolarHBondContact O-N 3.28Å; D473-A476 PolarHBondContact O-N 3.34Å; A476-T478 VanDerWaalsContact C-N 3.33Å |
| 477 | N | 74 | Confident | 76.6 | Confident | 33 Ų | 33 | 78.6 Ų | 78.6 | 18% | 0.176 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -3.1 | 174.6 | -70.8 | -41.3 | 0 | 0 | 0 | 112.9 | D473 V474 E475 E492 K493 | D473-N477 WeakPolarHBondContact O-CB 3.39Å; D473-N477 PolarHBondContact O-N 3.36Å; D473-N477 PolarHBondContact O-ND2 2.89Å; V474-N477 PolarHBondContact O-N 3.46Å; E475-N477 PolarHBondContact O-N 3.38Å; N477-E492 CarbonylContact O-C 3.57Å; N477-E492 WeakPolarHBondContact O-CA 3.18Å; N477-K493 HydrophobicContact CB-CB 4.03Å; N477-K493 PolarHBondContact O-N 2.05Å |
| 478 | T | 78.1 | Confident | 76.5 | Confident | 26 Ų | 26 | 78.2 Ų | 78.2 | 16% | 0.16 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 130.5 | 178.9 | -59.3 | 0 | 0 | 0 | 0 | 110.5 | V474 E475 A476 R480 V490 L491 | V474-T478 WeakPolarHBondContact O-CB 3.44Å; V474-T478 PolarHBondContact O-N 3.13Å; V474-T478 VanDerWaalsContact O-N 3.13Å; V474-T478 PolarHBondContact O-OG1 3.34Å; E475-T478 PolarHBondContact O-N 3.08Å; A476-T478 VanDerWaalsContact C-N 3.33Å; T478-R480 HydrophobicContact CG2-CG 4.17Å; T478-V490 HydrophobicContact CG2-CG1 3.65Å; T478-L491 CarbonylContact C-O 3.56Å; T478-L491 VanDerWaalsContact CA-O 3.3Å; T478-L491 WeakPolarHBondContact CA-O 3.24Å |
| 479 | V | 78.9 | Confident | 76.5 | Confident | 48 Ų | 48 | 76.2 Ų | 76.2 | 29% | 0.291 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 123 | 173.8 | 176.2 | 0 | 0 | 0 | 0 | 108.5 | V490 L491 Y512 | V479-V490 WeakPolarHBondContact O-CA 3.02Å; V479-L491 HydrophobicContact CB-CB 4.25Å; V479-L491 PolarHBondContact N-O 3.26Å; V479-L491 PolarHBondContact O-N 2.99Å; V479-Y512 HydrophobicContact CB-CE1 4.47Å; V479-Y512 HydrophobicContact CG2-CD1 4.2Å; V479-Y512 HydrophobicContact CG2-CE1 3.53Å |
| 480 | R | 80.5 | Confident | 76.3 | Confident | 114 Ų | 114 | 72.5 Ų | 72.5 | 43% | 0.43 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 112.3 | 178.2 | -60.2 | 174.3 | -178.4 | -100.6 | -1.8 | 109.5 | E475 T478 D487 L489 V490 | E475-R480 IonicContact OE1-NE 3.91Å; E475-R480 IonicContact OE2-NH2 2.72Å; T478-R480 HydrophobicContact CG2-CG 4.17Å; R480-D487 IonicContact CZ-OD2 2.7Å; R480-D487 IonicContact NH1-OD2 3.7Å; R480-D487 PolarHBondContact NH1-OD2 2.62Å; R480-L489 WeakPolarHBondContact CA-O 3.46Å; R480-V490 HydrophobicContact CG-CG1 4.3Å; R480-V490 HydrophobicContact CG-CG2 4.33Å |
| 481 | L | 73.3 | Confident | 76.2 | Confident | 82 Ų | 82 | 72.8 Ų | 72.8 | 43% | 0.429 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 131.9 | 170 | -60.7 | 179.3 | 0 | 0 | 0 | 108.7 | V488 L489 | L481-V488 HydrophobicContact CB-CG2 4.28Å; L481-V488 WeakPolarHBondContact O-CG2 3.25Å; L481-V488 PolarHBondContact O-N 3.19Å; L481-L489 HydrophobicContact CB-CB 4.16Å; L481-L489 HydrophobicContact CD1-CB 4.14Å; L481-L489 HydrophobicContact CD1-CD2 3.9Å; L481-L489 HydrophobicContact CG-CB 4.45Å; L481-L489 PolarHBondContact N-O 2.87Å; L481-L489 PolarHBondContact O-N 3.33Å |
| 482 | K | 74.6 | Confident | 76.5 | Confident | 134 Ų | 134 | 69 Ų | 69 | 58% | 0.583 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 134.4 | -179.1 | -70.1 | -179.2 | 173.9 | 178.7 | 0 | 111.5 | Q486 D487 | K482-Q486 CarbonylContact C-O 3.54Å; K482-Q486 WeakPolarHBondContact CA-O 3.45Å; K482-Q486 WeakPolarHBondContact CB-O 3.31Å; K482-D487 WeakPolarHBondContact CE-OD1 3.08Å; K482-D487 VanDerWaalsContact CG-OD1 3.26Å; K482-D487 WeakPolarHBondContact CG-OD1 3.36Å; K482-D487 IonicContact NZ-OD1 3.52Å |
| 483 | E | 73.1 | Confident | 76.6 | Confident | 85 Ų | 85 | 64.7 Ų | 64.7 | 40% | 0.397 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 134.3 | 166.9 | -68 | -178.6 | 153.3 | 0 | 0 | 108.5 | G485 Q486 V488 K521 | E483-G485 PolarHBondContact O-N 2.98Å; E483-Q486 PolarHBondContact N-O 3.26Å; E483-Q486 PolarHBondContact O-N 2.92Å; E483-V488 HydrophobicContact CB-CG1 3.86Å; E483-V488 HydrophobicContact CB-CG2 4.29Å; E483-V488 HydrophobicContact CG-CG1 4.28Å; E483-V488 HydrophobicContact CG-CG2 3.86Å; E483-K521 WeakPolarHBondContact OE1-CE 3.49Å; E483-K521 IonicContact OE1-NZ 2.93Å; E483-K521 PolarHBondContact OE1-NZ 3.05Å; E483-K521 WeakPolarHBondContact OE2-CE 3.13Å; E483-K521 IonicContact OE2-NZ 2.59Å |
| 484 | H | 78.6 | Confident | 76.1 | Confident | 198 Ų | 198 | 63.6 Ų | 63.6 | 92% | 0.917 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 31.1 | -176.4 | -52.6 | -66.9 | 0 | 0 | 0 | 114.3 | Q486 | H484-Q486 VanDerWaalsContact C-N 3.3Å; H484-Q486 PolarHBondContact O-N 3.42Å |
| 485 | G | 71.6 | Confident | 75.4 | Confident | 65 Ų | 65 | 66.8 Ų | 66.8 | 67% | 0.67 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | -0.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | E483 | E483-G485 PolarHBondContact O-N 2.98Š|
| 486 | Q | 71.2 | Confident | 74.2 | Confident | 146 Ų | 146 | 65.7 Ų | 65.7 | 68% | 0.682 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 143.6 | 176.6 | -63.8 | -174.8 | -10.8 | 0 | 0 | 110.9 | K482 E483 H484 V488 | K482-Q486 CarbonylContact C-O 3.54Å; K482-Q486 WeakPolarHBondContact CA-O 3.45Å; K482-Q486 WeakPolarHBondContact CB-O 3.31Å; E483-Q486 PolarHBondContact N-O 3.26Å; E483-Q486 PolarHBondContact O-N 2.92Å; H484-Q486 VanDerWaalsContact C-N 3.3Å; H484-Q486 PolarHBondContact O-N 3.42Å; Q486-V488 PolarHBondContact O-N 2.99Å |
| 487 | D | 76.9 | Confident | 72.6 | Confident | 42 Ų | 42 | 67.6 Ų | 67.6 | 23% | 0.225 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 128.4 | 172.4 | -72.8 | -5 | 0 | 0 | 0 | 108.9 | R480 K482 L956 | R480-D487 IonicContact CZ-OD2 2.7Å; R480-D487 IonicContact NH1-OD2 3.7Å; R480-D487 PolarHBondContact NH1-OD2 2.62Å; K482-D487 WeakPolarHBondContact CE-OD1 3.08Å; K482-D487 VanDerWaalsContact CG-OD1 3.26Å; K482-D487 WeakPolarHBondContact CG-OD1 3.36Å; K482-D487 IonicContact NZ-OD1 3.52Å; D487-L956 HydrophobicContact CB-CD1 4.15Å; D487-L956 WeakPolarHBondContact O-CD2 3.33Å |
| 488 | V | 82.3 | Confident | 70.7 | Confident | 15 Ų | 15 | 70.7 Ų | 70.7 | 9% | 0.091 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | -22.2 | 177.3 | -65.6 | 0 | 0 | 0 | 0 | 113.2 | L481 E483 Q486 G517 T518 K521 | L481-V488 HydrophobicContact CB-CG2 4.28Å; L481-V488 WeakPolarHBondContact O-CG2 3.25Å; L481-V488 PolarHBondContact O-N 3.19Å; E483-V488 HydrophobicContact CB-CG1 3.86Å; E483-V488 HydrophobicContact CB-CG2 4.29Å; E483-V488 HydrophobicContact CG-CG1 4.28Å; E483-V488 HydrophobicContact CG-CG2 3.86Å; Q486-V488 PolarHBondContact O-N 2.99Å; V488-G517 CarbonylContact O-C 3.54Å; V488-G517 WeakPolarHBondContact O-CA 3.44Å; V488-T518 HydrophobicContact CB-CG2 4.41Å; V488-T518 HydrophobicContact CG1-CG2 4.48Å; V488-T518 PolarHBondContact O-N 3.03Å; V488-K521 HydrophobicContact CB-CG 3.99Å; V488-K521 HydrophobicContact CG2-CG 3.98Å |
| 489 | L | 81.3 | Confident | 68.9 | Low | 3 Ų | 3 | 80.7 Ų | 80.7 | 2% | 0.016 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 131.5 | 173.3 | -167.7 | 68.6 | 0 | 0 | 0 | 109.7 | R480 L481 L491 I514 S516 K521 I522 H525 | R480-L489 WeakPolarHBondContact CA-O 3.46Å; L481-L489 HydrophobicContact CB-CB 4.16Å; L481-L489 HydrophobicContact CD1-CB 4.14Å; L481-L489 HydrophobicContact CD1-CD2 3.9Å; L481-L489 HydrophobicContact CG-CB 4.45Å; L481-L489 PolarHBondContact N-O 2.87Å; L481-L489 PolarHBondContact O-N 3.33Å; L489-L491 HydrophobicContact CD1-CD2 4.5Å; L489-L491 HydrophobicContact CD2-CD1 4.4Å; L489-L491 HydrophobicContact CD2-CD2 3.87Å; L489-L491 HydrophobicContact CD2-CG 4.23Å; L489-L491 HydrophobicContact CG-CD2 3.92Å; L489-L491 HydrophobicContact CG-CG 4.25Å; L489-I514 HydrophobicContact CD1-CG2 3.89Å; L489-S516 CarbonylContact C-O 3.57Å; L489-S516 WeakPolarHBondContact CA-O 3.36Å; L489-K521 HydrophobicContact CB-CB 4.4Å; L489-I522 HydrophobicContact CD1-CG1 3.9Å; L489-H525 HydrophobicContact CD2-CB 3.61Å |
| 490 | V | 82.9 | Confident | 66.6 | Low | 13 Ų | 13 | 86.5 Ų | 86.5 | 8% | 0.079 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 123.8 | 177.2 | -174.6 | 0 | 0 | 0 | 0 | 107.9 | T478 V479 R480 M515 S516 L956 | T478-V490 HydrophobicContact CG2-CG1 3.65Å; V479-V490 WeakPolarHBondContact O-CA 3.02Å; R480-V490 HydrophobicContact CG-CG1 4.3Å; R480-V490 HydrophobicContact CG-CG2 4.33Å; V490-M515 HydrophobicContact CB-CB 4.5Å; V490-M515 HydrophobicContact CG1-CB 4.35Å; V490-M515 PolarHBondContact O-N 3.42Å; V490-S516 WeakPolarHBondContact CG2-OG 3.42Å; V490-S516 PolarHBondContact N-O 3.34Å; V490-S516 PolarHBondContact O-N 3.34Å; V490-L956 HydrophobicContact CG2-CD1 4.31Å |
| 491 | L | 82.2 | Confident | 64.2 | Low | 11 Ų | 11 | 85.5 Ų | 85.5 | 6% | 0.058 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 145.3 | -177.9 | -56.6 | 177.7 | 0 | 0 | 0 | 109.4 | T478 V479 L489 Y512 N513 I514 | T478-L491 CarbonylContact C-O 3.56Å; T478-L491 VanDerWaalsContact CA-O 3.3Å; T478-L491 WeakPolarHBondContact CA-O 3.24Å; V479-L491 HydrophobicContact CB-CB 4.25Å; V479-L491 PolarHBondContact N-O 3.26Å; V479-L491 PolarHBondContact O-N 2.99Å; L489-L491 HydrophobicContact CD1-CD2 4.5Å; L489-L491 HydrophobicContact CD2-CD1 4.4Å; L489-L491 HydrophobicContact CD2-CD2 3.87Å; L489-L491 HydrophobicContact CD2-CG 4.23Å; L489-L491 HydrophobicContact CG-CD2 3.92Å; L489-L491 HydrophobicContact CG-CG 4.25Å; L491-Y512 HydrophobicContact CB-CD1 4.21Å; L491-Y512 HydrophobicContact CB-CG 4.48Å; L491-N513 CarbonylContact C-O 3.54Å; L491-N513 VanDerWaalsContact CA-O 3.27Å; L491-N513 WeakPolarHBondContact CA-O 3.45Å; L491-I514 HydrophobicContact CD2-CB 4.24Å; L491-I514 HydrophobicContact CD2-CG1 3.87Å |
| 492 | E | 80.9 | Confident | 62.6 | Low | 16 Ų | 16 | 88.6 Ų | 88.6 | 8% | 0.075 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 134.1 | 174.4 | -173.3 | -175.6 | -158.7 | 0 | 0 | 109.8 | T377 N477 S494 Y512 N513 M515 | T377-E492 WeakPolarHBondContact CB-OE1 3.28Å; T377-E492 WeakPolarHBondContact CG2-OE1 3.5Å; T377-E492 PolarHBondContact OG1-OE1 2.93Å; T377-E492 PolarHBondContact OG1-OE2 2.94Å; N477-E492 CarbonylContact O-C 3.57Å; N477-E492 WeakPolarHBondContact O-CA 3.18Å; E492-S494 PolarHBondContact O-N 3.13Å; E492-Y512 CarbonylContact O-C 3.55Å; E492-Y512 WeakPolarHBondContact O-CA 3.21Å; E492-N513 PolarHBondContact N-O 3.23Å; E492-N513 PolarHBondContact O-N 3.3Å; E492-M515 HydrophobicContact CB-CG 3.58Å; E492-M515 HydrophobicContact CB-SD 3.86Å; E492-M515 WeakPolarHBondContact OE2-CE 3.29Å |
| 493 | K | 77.5 | Confident | 60.6 | Low | 58 Ų | 58 | 91 Ų | 91 | 25% | 0.252 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 122.6 | 179.3 | -167.7 | 179.3 | -179.2 | -178.5 | 0 | 110.3 | N477 L495 H510 Y512 | N477-K493 HydrophobicContact CB-CB 4.03Å; N477-K493 PolarHBondContact O-N 2.05Å; K493-L495 PolarHBondContact O-N 2.97Å; K493-H510 WeakPolarHBondContact CE-CD2 3.23Å; K493-H510 HydrophobicContact CG-CB 4.27Å; K493-H510 PolarHBondContact NZ-CD2 2.77Å; K493-H510 VanDerWaalsContact NZ-CD2 3.33Å; K493-H510 PolarHBondContact NZ-NE2 3.17Å; K493-Y512 HydrophobicContact CB-CD1 4.08Å; K493-Y512 HydrophobicContact CB-CE1 3.82Å; K493-Y512 HydrophobicContact CG-CE1 4.26Å |
| 494 | S | 66.4 | Low | 58.4 | Low | 34 Ų | 34 | 90.2 Ų | 90.2 | 24% | 0.238 | 51% | 0.514 | C | S | . | . | trans | -67.3 | 116.5 | 176.7 | -175.6 | 0 | 0 | 0 | 0 | 110.6 | E492 S496 K511 | E492-S494 PolarHBondContact O-N 3.13Å; S494-S496 PolarHBondContact O-N 3.08Å; S494-K511 WeakPolarHBondContact CA-O 3.3Å; S494-K511 WeakPolarHBondContact CB-O 3.33Å; S494-K511 PolarHBondContact N-O 3.18Å | ||
| 495 | L | 58.6 | Low | 56.3 | Low | 97 Ų | 97 | 87 Ų | 87 | 51% | 0.508 | 51% | 0.514 | S | S | . | . | trans | -76.2 | 54.9 | 166.9 | -60.8 | 171 | 0 | 0 | 0 | 110 | T377 K493 S497 | T377-L495 HydrophobicContact CG2-CD1 3.9Å; K493-L495 PolarHBondContact O-N 2.97Å; L495-S497 PolarHBondContact O-N 2.82Å | ||
| 496 | S | 45.5 | Very low | 54.3 | Low | 80 Ų | 80 | 89.4 Ų | 89.4 | 56% | 0.559 | 52% | 0.521 | S | S | * | . | trans | -75.5 | 113.7 | 170 | 53.5 | 0 | 0 | 0 | 0 | 108 | S494 S498 | S494-S496 PolarHBondContact O-N 3.08Å; S496-S498 VanDerWaalsContact C-N 3.31Å; S496-S498 PolarHBondContact O-N 2.78Å | ||
| 497 | S | 37.1 | Very low | 52.2 | Low | 120 Ų | 120 | 86.2 Ų | 86.2 | 84% | 0.839 | 52% | 0.519 | S | S | * | . | trans | -51.6 | 87.6 | 171 | 47.7 | 0 | 0 | 0 | 0 | 111.5 | L495 R499 | L495-S497 PolarHBondContact O-N 2.82Å; S497-R499 PolarHBondContact O-N 3.3Å | ||
| 498 | S | 33.5 | Very low | 50 | Low | 98 Ų | 98 | 88 Ų | 88 | 69% | 0.685 | 54% | 0.54 | S | S | * | . | trans | -81.4 | 92.8 | 169.5 | -160.4 | 0 | 0 | 0 | 0 | 108.3 | S496 | S496-S498 VanDerWaalsContact C-N 3.31Å; S496-S498 PolarHBondContact O-N 2.78Å | ||
| 499 | R | 39.2 | Very low | 47.9 | Very low | 235 Ų | 235 | 95 Ų | 95 | 89% | 0.887 | 57% | 0.571 | S | S | * | * | trans | -133.2 | 4.6 | 165.6 | -85.9 | -164.2 | 165.1 | -177.6 | -3.3 | 116.1 | S497 | S497-R499 PolarHBondContact O-N 3.3Š| ||
| 500 | N | 32 | Very low | 46 | Very low | 170 Ų | 170 | 100.1 Ų | 100.1 | 91% | 0.909 | 60% | 0.595 | S | S | * | * | trans | -120.2 | 73.8 | 172 | -76.2 | -5.5 | 0 | 0 | 0 | 111.9 | ||||
| 501 | S | 30.8 | Very low | 45.1 | Very low | 93 Ų | 93 | 104.8 Ų | 104.8 | 65% | 0.65 | 61% | 0.614 | S | S | * | * | trans | -152.3 | 92.5 | 152.2 | 63.4 | 0 | 0 | 0 | 0 | 109.7 | Q503 | S501-Q503 VanDerWaalsContact C-N 3.3Å; S501-Q503 PolarHBondContact O-N 3.1Å; S501-Q503 VanDerWaalsContact O-N 3.16Å | ||
| 502 | V | 38.3 | Very low | 44.9 | Very low | 147 Ų | 147 | 108.5 Ų | 108.5 | 89% | 0.891 | 63% | 0.628 | S | S | * | * | trans | -77.6 | 87.7 | 161.5 | 179 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 503 | Q | 32.8 | Very low | 45 | Very low | 185 Ų | 185 | 109.7 Ų | 109.7 | 86% | 0.864 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -173.7 | 141.2 | 151.7 | -103.8 | 155.4 | 4.9 | 0 | 0 | 109.9 | S501 | S501-Q503 VanDerWaalsContact C-N 3.3Å; S501-Q503 PolarHBondContact O-N 3.1Å; S501-Q503 VanDerWaalsContact O-N 3.16Å |
| 504 | G | 27.8 | Very low | 45.5 | Very low | 68 Ų | 68 | 107.2 Ų | 107.2 | 70% | 0.701 | 62% | 0.624 | S | S | * | * | trans | -69.4 | 156.9 | -156.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 505 | S | 34.5 | Very low | 46.5 | Very low | 130 Ų | 130 | 106.8 Ų | 106.8 | 91% | 0.909 | 62% | 0.619 | S | S | * | * | trans | 59.3 | 70.5 | 141.8 | -40.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 506 | S | 27.8 | Very low | 48 | Very low | 117 Ų | 117 | 102.9 Ų | 102.9 | 82% | 0.818 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -150.4 | 138.2 | 137.8 | -166.4 | 0 | 0 | 0 | 0 | 108.6 | A508 | S506-A508 PolarHBondContact O-N 2.94Š|
| 507 | A | 28.8 | Very low | 50.1 | Low | 78 Ų | 78 | 99.1 Ų | 99.1 | 65% | 0.645 | 57% | 0.573 | S | S | * | * | trans | -50.2 | 125.8 | -170 | 0 | 0 | 0 | 0 | 0 | 111.9 | H509 | A507-H509 VanDerWaalsContact C-N 3.32Å; A507-H509 PolarHBondContact O-CD2 3.4Å; A507-H509 PolarHBondContact O-N 3.18Å | ||
| 508 | A | 29.9 | Very low | 52.6 | Low | 81 Ų | 81 | 95.1 Ų | 95.1 | 67% | 0.669 | 54% | 0.544 | S | S | * | . | trans | -62.9 | 92 | 173 | 0 | 0 | 0 | 0 | 0 | 109.4 | S506 H510 | S506-A508 PolarHBondContact O-N 2.94Å; A508-H510 PolarHBondContact O-N 2.85Å; A508-H510 PolarHBondContact O-ND1 3.4Å | ||
| 509 | H | 37.3 | Very low | 55.5 | Low | 160 Ų | 160 | 91.3 Ų | 91.3 | 74% | 0.741 | 52% | 0.517 | S | S | * | . | trans | -65.6 | 100.6 | 170.5 | -78.5 | -82 | 0 | 0 | 0 | 108.4 | A507 K511 | A507-H509 VanDerWaalsContact C-N 3.32Å; A507-H509 PolarHBondContact O-CD2 3.4Å; A507-H509 PolarHBondContact O-N 3.18Å; H509-K511 PolarHBondContact O-N 3.18Å; H509-K511 VanDerWaalsContact O-N 3.07Å | ||
| 510 | H | 42.3 | Very low | 57.8 | Low | 111 Ų | 111 | 83 Ų | 83 | 51% | 0.514 | 49% | 0.488 | S | S | . | . | trans | -54.8 | 112 | 172 | -59.1 | 98.8 | 0 | 0 | 0 | 109.5 | K493 A508 Y512 | K493-H510 WeakPolarHBondContact CE-CD2 3.23Å; K493-H510 HydrophobicContact CG-CB 4.27Å; K493-H510 PolarHBondContact NZ-CD2 2.77Å; K493-H510 VanDerWaalsContact NZ-CD2 3.33Å; K493-H510 PolarHBondContact NZ-NE2 3.17Å; A508-H510 PolarHBondContact O-N 2.85Å; A508-H510 PolarHBondContact O-ND1 3.4Å; H510-Y512 PolarHBondContact O-N 2.85Å | ||
| 511 | K | 64.8 | Low | 60.3 | Low | 111 Ų | 111 | 76.4 Ų | 76.4 | 48% | 0.483 | 45% | 0.451 | S | S | . | . | trans | -76.6 | 109.2 | -179.2 | -168.4 | 170 | -174.9 | 167.9 | 0 | 108.4 | S494 H509 | S494-K511 WeakPolarHBondContact CA-O 3.3Å; S494-K511 WeakPolarHBondContact CB-O 3.33Å; S494-K511 PolarHBondContact N-O 3.18Å; H509-K511 PolarHBondContact O-N 3.18Å; H509-K511 VanDerWaalsContact O-N 3.07Å | ||
| 512 | Y | 76.5 | Confident | 63 | Low | 89 Ų | 89 | 72 Ų | 72 | 35% | 0.349 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 142.2 | 169.9 | -71.7 | -88.9 | 0 | 0 | 0 | 109.8 | V479 L491 E492 K493 H510 | V479-Y512 HydrophobicContact CB-CE1 4.47Å; V479-Y512 HydrophobicContact CG2-CD1 4.2Å; V479-Y512 HydrophobicContact CG2-CE1 3.53Å; L491-Y512 HydrophobicContact CB-CD1 4.21Å; L491-Y512 HydrophobicContact CB-CG 4.48Å; E492-Y512 CarbonylContact O-C 3.55Å; E492-Y512 WeakPolarHBondContact O-CA 3.21Å; K493-Y512 HydrophobicContact CB-CD1 4.08Å; K493-Y512 HydrophobicContact CB-CE1 3.82Å; K493-Y512 HydrophobicContact CG-CE1 4.26Å; H510-Y512 PolarHBondContact O-N 2.85Å |
| 513 | N | 83.9 | Confident | 65.3 | Low | 42 Ų | 42 | 65 Ų | 65 | 23% | 0.225 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 136.2 | 174.7 | -71.1 | -35.8 | 0 | 0 | 0 | 109.2 | L491 E492 M515 | L491-N513 CarbonylContact C-O 3.54Å; L491-N513 VanDerWaalsContact CA-O 3.27Å; L491-N513 WeakPolarHBondContact CA-O 3.45Å; E492-N513 PolarHBondContact N-O 3.23Å; E492-N513 PolarHBondContact O-N 3.3Å; N513-M515 PolarHBondContact O-N 2.96Å |
| 514 | I | 87.4 | Confident | 67.7 | Low | 5 Ų | 5 | 58.9 Ų | 58.9 | 3% | 0.026 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 124.8 | 173.3 | -51.9 | 170.8 | 0 | 0 | 0 | 108.9 | L489 L491 I522 L526 F959 R963 | L489-I514 HydrophobicContact CD1-CG2 3.89Å; L491-I514 HydrophobicContact CD2-CB 4.24Å; L491-I514 HydrophobicContact CD2-CG1 3.87Å; I514-I522 HydrophobicContact CD1-CG2 4.19Å; I514-I522 HydrophobicContact CG2-CG1 4.17Å; I514-L526 HydrophobicContact CD1-CD1 4.47Å; I514-L526 HydrophobicContact CD1-CD2 3.79Å; I514-L526 HydrophobicContact CD1-CG 3.89Å; I514-F959 HydrophobicContact CB-CB 4.44Å; I514-F959 HydrophobicContact CB-CD1 3.74Å; I514-F959 HydrophobicContact CB-CE1 4.37Å; I514-F959 HydrophobicContact CB-CG 4.31Å; I514-F959 HydrophobicContact CD1-CD1 4.43Å; I514-F959 HydrophobicContact CD1-CE1 4.3Å; I514-F959 HydrophobicContact CG2-CB 3.82Å; I514-F959 HydrophobicContact CG2-CD1 3.94Å; I514-F959 HydrophobicContact CG2-CG 3.98Å; I514-R963 PolarHBondContact O-NH2 3.04Å |
| 515 | M | 87.4 | Confident | 70.3 | Confident | 26 Ų | 26 | 56.8 Ų | 56.8 | 13% | 0.128 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | -51.1 | 176.4 | -59.5 | -52.1 | -74 | 0 | 0 | 110.6 | V490 E492 N513 F959 E960 | V490-M515 HydrophobicContact CB-CB 4.5Å; V490-M515 HydrophobicContact CG1-CB 4.35Å; V490-M515 PolarHBondContact O-N 3.42Å; E492-M515 HydrophobicContact CB-CG 3.58Å; E492-M515 HydrophobicContact CB-SD 3.86Å; E492-M515 WeakPolarHBondContact OE2-CE 3.29Å; N513-M515 PolarHBondContact O-N 2.96Å; M515-F959 PolarHBondContact O-N 3Å; M515-E960 HydrophobicContact CE-CB 4.14Å; M515-E960 HydrophobicContact CE-CG 4.17Å; M515-E960 WeakPolarHBondContact CE-OE2 3.17Å; M515-E960 PolarHBondContact O-N 3.14Å; M515-E960 VanDerWaalsContact O-N 3.12Å |
| 516 | S | 90.3 | Very high | 72.6 | Confident | 15 Ų | 15 | 51.1 Ų | 51.1 | 11% | 0.105 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 157 | 174.8 | 58.7 | 0 | 0 | 0 | 0 | 112.1 | L489 V490 V957 | L489-S516 CarbonylContact C-O 3.57Å; L489-S516 WeakPolarHBondContact CA-O 3.36Å; V490-S516 WeakPolarHBondContact CG2-OG 3.42Å; V490-S516 PolarHBondContact N-O 3.34Å; V490-S516 PolarHBondContact O-N 3.34Å; S516-V957 CarbonylContact C-O 3.52Å; S516-V957 WeakPolarHBondContact CA-O 3.35Å; S516-V957 VanDerWaalsContact CB-O 3.26Å; S516-V957 WeakPolarHBondContact CB-O 3.07Å |
| 517 | G | 89 | Confident | 75 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.3 | 173.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V488 I522 V957 | V488-G517 CarbonylContact O-C 3.54Å; V488-G517 WeakPolarHBondContact O-CA 3.44Å; G517-I522 WeakPolarHBondContact O-CD1 3.15Å; G517-V957 PolarHBondContact N-O 3.49Å; G517-V957 VanDerWaalsContact N-O 3.11Å; G517-V957 WeakPolarHBondContact O-CB 3.46Å; G517-V957 PolarHBondContact O-N 3.48Å |
| 518 | T | 91.2 | Very high | 77.4 | Confident | 36 Ų | 36 | 46.6 Ų | 46.6 | 22% | 0.221 | 23% | 0.233 | C | C | . | . | trans | -69.6 | 150 | 168.6 | 63.2 | 0 | 0 | 0 | 0 | 109.5 | V488 E520 K521 I522 L956 | V488-T518 HydrophobicContact CB-CG2 4.41Å; V488-T518 HydrophobicContact CG1-CG2 4.48Å; V488-T518 PolarHBondContact O-N 3.03Å; T518-E520 PolarHBondContact O-N 3.21Å; T518-K521 PolarHBondContact O-N 2.89Å; T518-K521 WeakPolarHBondContact OG1-CB 3.32Å; T518-K521 WeakPolarHBondContact OG1-CG 3.43Å; T518-K521 PolarHBondContact OG1-N 3.39Å; T518-I522 VanDerWaalsContact O-CG1 3.3Å; T518-I522 WeakPolarHBondContact O-CG1 3.27Å; T518-I522 PolarHBondContact O-N 3.23Å; T518-L956 HydrophobicContact CG2-CD2 3.71Å | ||
| 519 | P | 92.8 | Very high | 79.5 | Confident | 18 Ų | 18 | 47.9 Ų | 47.9 | 12% | 0.117 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -52.4 | -42 | 179.7 | -27.5 | 34.8 | 0 | 0 | 0 | 113.8 | L523 F553 I554 V957 | P519-L523 WeakPolarHBondContact O-CB 3.38Å; P519-L523 PolarHBondContact O-N 2.91Å; P519-L523 VanDerWaalsContact O-N 3.11Å; P519-F553 HydrophobicContact CB-CD2 3.98Å; P519-F553 HydrophobicContact CB-CE2 4.43Å; P519-F553 HydrophobicContact CG-CD2 4.12Å; P519-I554 HydrophobicContact CB-CB 3.93Å; P519-I554 HydrophobicContact CB-CD1 4.06Å; P519-I554 HydrophobicContact CB-CG1 4.42Å; P519-I554 HydrophobicContact CB-CG2 4.38Å; P519-V957 HydrophobicContact CG-CG2 3.93Å |
| 520 | E | 87.6 | Confident | 81.3 | Confident | 60 Ų | 60 | 40.4 Ų | 40.4 | 28% | 0.28 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66.8 | -44.9 | 179.9 | -62.2 | 79.7 | -177.4 | 0 | 0 | 111.2 | T518 L523 E524 R558 | T518-E520 PolarHBondContact O-N 3.21Å; E520-L523 WeakPolarHBondContact O-CB 3.48Å; E520-L523 PolarHBondContact O-N 3.5Å; E520-E524 WeakPolarHBondContact O-CB 3.42Å; E520-E524 PolarHBondContact O-N 3.26Å; E520-R558 IonicContact OE1-CZ 3.74Å; E520-R558 IonicContact OE1-NH1 3.86Å; E520-R558 IonicContact OE1-NH2 3.64Å; E520-R558 PolarHBondContact OE1-NH2 3.22Å |
| 521 | K | 85.9 | Confident | 82.4 | Confident | 32 Ų | 32 | 42.8 Ų | 42.8 | 14% | 0.139 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -71.4 | -31.7 | 178 | -74.1 | -51 | -167 | -175 | 0 | 114.3 | E483 V488 L489 T518 L523 E524 H525 | E483-K521 WeakPolarHBondContact OE1-CE 3.49Å; E483-K521 IonicContact OE1-NZ 2.93Å; E483-K521 PolarHBondContact OE1-NZ 3.05Å; E483-K521 WeakPolarHBondContact OE2-CE 3.13Å; E483-K521 IonicContact OE2-NZ 2.59Å; V488-K521 HydrophobicContact CB-CG 3.99Å; V488-K521 HydrophobicContact CG2-CG 3.98Å; L489-K521 HydrophobicContact CB-CB 4.4Å; T518-K521 PolarHBondContact O-N 2.89Å; T518-K521 WeakPolarHBondContact OG1-CB 3.32Å; T518-K521 WeakPolarHBondContact OG1-CG 3.43Å; T518-K521 PolarHBondContact OG1-N 3.39Å; K521-L523 VanDerWaalsContact C-N 3.34Å; K521-E524 VanDerWaalsContact CD-OE2 3.26Å; K521-E524 WeakPolarHBondContact CD-OE2 3.44Å; K521-E524 IonicContact NZ-OE1 3.54Å; K521-E524 PolarHBondContact NZ-OE1 3.31Å; K521-E524 IonicContact NZ-OE2 3.58Å; K521-E524 PolarHBondContact NZ-OE2 3.35Å; K521-H525 VanDerWaalsContact O-CB 3.25Å; K521-H525 WeakPolarHBondContact O-CB 3.48Å; K521-H525 PolarHBondContact O-N 3.35Å |
| 522 | I | 87.1 | Confident | 81.9 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.2 | -46.9 | 171.2 | -68.5 | 170.4 | 0 | 0 | 0 | 109.5 | L489 I514 G517 T518 L526 F546 V957 F959 | L489-I522 HydrophobicContact CD1-CG1 3.9Å; I514-I522 HydrophobicContact CD1-CG2 4.19Å; I514-I522 HydrophobicContact CG2-CG1 4.17Å; G517-I522 WeakPolarHBondContact O-CD1 3.15Å; T518-I522 VanDerWaalsContact O-CG1 3.3Å; T518-I522 WeakPolarHBondContact O-CG1 3.27Å; T518-I522 PolarHBondContact O-N 3.23Å; I522-L526 HydrophobicContact CG2-CD1 3.91Å; I522-L526 WeakPolarHBondContact O-CB 3.28Å; I522-L526 WeakPolarHBondContact O-CG 3.38Å; I522-L526 PolarHBondContact O-N 2.82Å; I522-F546 HydrophobicContact CG2-CD2 3.78Å; I522-F546 HydrophobicContact CG2-CE2 4.08Å; I522-V957 HydrophobicContact CD1-CB 3.88Å; I522-V957 HydrophobicContact CD1-CG1 4.3Å; I522-V957 HydrophobicContact CD1-CG2 4.48Å; I522-F959 HydrophobicContact CD1-CB 4.35Å; I522-F959 HydrophobicContact CD1-CD2 4.06Å; I522-F959 HydrophobicContact CD1-CG 4.48Å; I522-F959 HydrophobicContact CG2-CD2 4.03Å; I522-F959 HydrophobicContact CG2-CE2 3.91Å; I522-F959 HydrophobicContact CG2-CZ 4.43Å |
| 523 | L | 86.9 | Confident | 80.6 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.2 | -49.7 | 178.1 | 172.7 | 62.2 | 0 | 0 | 0 | 112.1 | P519 E520 K521 H525 L526 L527 F546 L559 V562 L563 L593 | P519-L523 WeakPolarHBondContact O-CB 3.38Å; P519-L523 PolarHBondContact O-N 2.91Å; P519-L523 VanDerWaalsContact O-N 3.11Å; E520-L523 WeakPolarHBondContact O-CB 3.48Å; E520-L523 PolarHBondContact O-N 3.5Å; K521-L523 VanDerWaalsContact C-N 3.34Å; L523-H525 PolarHBondContact O-N 2.94Å; L523-L526 PolarHBondContact O-N 3.42Å; L523-L527 HydrophobicContact CD1-CD1 4.03Å; L523-L527 HydrophobicContact CD1-CG 4.16Å; L523-L527 HydrophobicContact CG-CD1 4.12Å; L523-L527 WeakPolarHBondContact O-CG 3.3Å; L523-L527 PolarHBondContact O-N 3.28Å; L523-F546 HydrophobicContact CB-CE2 4.29Å; L523-F546 HydrophobicContact CB-CZ 4.11Å; L523-F546 HydrophobicContact CD1-CE1 4.13Å; L523-F546 HydrophobicContact CD1-CZ 4.01Å; L523-L559 HydrophobicContact CD2-CD1 3.93Å; L523-V562 HydrophobicContact CD2-CG1 3.56Å; L523-L563 HydrophobicContact CD1-CD2 4.06Å; L523-L563 HydrophobicContact CD2-CD2 4.13Å; L523-L593 HydrophobicContact CD1-CD2 3.3Å |
| 524 | E | 81.7 | Confident | 78.7 | Confident | 58 Ų | 58 | 43.4 Ų | 43.4 | 27% | 0.271 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -54.4 | -52.1 | 177.5 | -177.3 | -178.4 | 138.5 | 0 | 0 | 110.8 | E520 K521 L526 L527 E528 | E520-E524 WeakPolarHBondContact O-CB 3.42Å; E520-E524 PolarHBondContact O-N 3.26Å; K521-E524 VanDerWaalsContact CD-OE2 3.26Å; K521-E524 WeakPolarHBondContact CD-OE2 3.44Å; K521-E524 IonicContact NZ-OE1 3.54Å; K521-E524 PolarHBondContact NZ-OE1 3.31Å; K521-E524 IonicContact NZ-OE2 3.58Å; K521-E524 PolarHBondContact NZ-OE2 3.35Å; E524-L526 VanDerWaalsContact C-N 3.33Å; E524-L526 PolarHBondContact O-N 2.99Å; E524-L527 PolarHBondContact O-N 3.3Å; E524-L527 VanDerWaalsContact O-N 3.16Å; E524-E528 WeakPolarHBondContact O-CG 3.27Å; E524-E528 PolarHBondContact O-N 2.98Å |
| 525 | H | 82.6 | Confident | 76.7 | Confident | 23 Ų | 23 | 51.1 Ų | 51.1 | 11% | 0.106 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61 | -40.6 | 179.1 | -177.1 | 70.2 | 0 | 0 | 0 | 112.7 | L489 K521 L523 E528 M529 | L489-H525 HydrophobicContact CD2-CB 3.61Å; K521-H525 VanDerWaalsContact O-CB 3.25Å; K521-H525 WeakPolarHBondContact O-CB 3.48Å; K521-H525 PolarHBondContact O-N 3.35Å; L523-H525 PolarHBondContact O-N 2.94Å; H525-E528 PolarHBondContact O-N 2.67Å; H525-M529 WeakPolarHBondContact O-CB 3.15Å; H525-M529 WeakPolarHBondContact O-CG 3.22Å; H525-M529 PolarHBondContact O-N 2.88Å |
| 526 | L | 83.3 | Confident | 74.8 | Confident | 12 Ų | 12 | 56.9 Ų | 56.9 | 6% | 0.063 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.4 | -40.6 | 176.7 | -73.6 | 170 | 0 | 0 | 0 | 111.9 | I514 I522 L523 E524 M530 A542 F546 | I514-L526 HydrophobicContact CD1-CD1 4.47Å; I514-L526 HydrophobicContact CD1-CD2 3.79Å; I514-L526 HydrophobicContact CD1-CG 3.89Å; I522-L526 HydrophobicContact CG2-CD1 3.91Å; I522-L526 WeakPolarHBondContact O-CB 3.28Å; I522-L526 WeakPolarHBondContact O-CG 3.38Å; I522-L526 PolarHBondContact O-N 2.82Å; L523-L526 PolarHBondContact O-N 3.42Å; E524-L526 VanDerWaalsContact C-N 3.33Å; E524-L526 PolarHBondContact O-N 2.99Å; L526-M530 VanDerWaalsContact O-CG 3.29Å; L526-M530 WeakPolarHBondContact O-CG 3.46Å; L526-M530 PolarHBondContact O-N 3.28Å; L526-A542 HydrophobicContact CD2-CB 3.68Å; L526-F546 HydrophobicContact CD1-CB 3.44Å; L526-F546 VanDerWaalsContact CD1-CB 3.44Å; L526-F546 HydrophobicContact CD1-CD1 4.39Å; L526-F546 HydrophobicContact CD1-CD2 3.6Å; L526-F546 HydrophobicContact CD1-CE2 4.45Å; L526-F546 HydrophobicContact CD1-CG 3.56Å |
| 527 | L | 78.8 | Confident | 72.5 | Confident | 4 Ų | 4 | 62.1 Ų | 62.1 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 175.7 | -72.1 | 170.7 | 0 | 0 | 0 | 111.3 | L523 E524 M529 M530 H566 R589 V590 L593 | L523-L527 HydrophobicContact CD1-CD1 4.03Å; L523-L527 HydrophobicContact CD1-CG 4.16Å; L523-L527 HydrophobicContact CG-CD1 4.12Å; L523-L527 WeakPolarHBondContact O-CG 3.3Å; L523-L527 PolarHBondContact O-N 3.28Å; E524-L527 PolarHBondContact O-N 3.3Å; E524-L527 VanDerWaalsContact O-N 3.16Å; L527-M529 PolarHBondContact O-N 2.99Å; L527-M530 HydrophobicContact CD2-CE 4.42Å; L527-M530 PolarHBondContact O-N 3.06Å; L527-H566 HydrophobicContact CD1-CB 4.26Å; L527-R589 HydrophobicContact CD2-CB 4.22Å; L527-R589 WeakPolarHBondContact O-CD 3.41Å; L527-R589 PolarHBondContact O-NE 3.33Å; L527-V590 HydrophobicContact CD1-CG2 4.15Å; L527-V590 HydrophobicContact CD2-CG2 4.14Å; L527-L593 HydrophobicContact CD2-CB 4.16Å; L527-L593 HydrophobicContact CD2-CD2 3.87Å; L527-L593 HydrophobicContact CG-CD2 4.38Å |
| 528 | E | 77.9 | Confident | 70.3 | Confident | 95 Ų | 95 | 68.6 Ų | 68.6 | 44% | 0.444 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 179.3 | -72.7 | 177.2 | 168.8 | 0 | 0 | 113.2 | E524 H525 M530 R589 | E524-E528 WeakPolarHBondContact O-CG 3.27Å; E524-E528 PolarHBondContact O-N 2.98Å; H525-E528 PolarHBondContact O-N 2.67Å; E528-M530 VanDerWaalsContact C-N 3.27Å; E528-M530 PolarHBondContact O-N 2.77Å; E528-R589 PolarHBondContact O-NH2 2.67Å |
| 529 | M | 75.6 | Confident | 68.4 | Low | 108 Ų | 108 | 71.5 Ų | 71.5 | 53% | 0.532 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -76.8 | -12.1 | -177.8 | -69.8 | -61.2 | -62.6 | 0 | 0 | 113.5 | H525 L527 R531 | H525-M529 WeakPolarHBondContact O-CB 3.15Å; H525-M529 WeakPolarHBondContact O-CG 3.22Å; H525-M529 PolarHBondContact O-N 2.88Å; L527-M529 PolarHBondContact O-N 2.99Å; M529-R531 PolarHBondContact O-N 3.22Å |
| 530 | M | 73.9 | Confident | 67.1 | Low | 3 Ų | 3 | 72.6 Ų | 72.6 | 2% | 0.015 | 37% | 0.368 | C | S | . | . | trans | -68.5 | 125 | 177.8 | -83.5 | 174.8 | 17.1 | 0 | 0 | 111.8 | L526 L527 E528 L543 R589 R592 | L526-M530 VanDerWaalsContact O-CG 3.29Å; L526-M530 WeakPolarHBondContact O-CG 3.46Å; L526-M530 PolarHBondContact O-N 3.28Å; L527-M530 HydrophobicContact CD2-CE 4.42Å; L527-M530 PolarHBondContact O-N 3.06Å; E528-M530 VanDerWaalsContact C-N 3.27Å; E528-M530 PolarHBondContact O-N 2.77Å; M530-L543 HydrophobicContact SD-CD1 3.79Å; M530-L543 HydrophobicContact SD-CD2 3.78Å; M530-L543 HydrophobicContact SD-CG 4.4Å; M530-R589 HydrophobicContact CB-CG 4.11Å; M530-R589 HydrophobicContact CE-CB 3.56Å; M530-R589 HydrophobicContact CE-CG 3.81Å; M530-R589 WeakPolarHBondContact CE-O 3.48Å; M530-R589 PolarHBondContact O-NE 3.17Å; M530-R589 VanDerWaalsContact O-NE 3.12Å; M530-R589 PolarHBondContact O-NH2 3.05Å; M530-R592 HydrophobicContact CE-CB 4.03Å; M530-R592 HydrophobicContact CE-CG 4.29Å | ||
| 531 | R | 66.6 | Low | 66.6 | Low | 162 Ų | 162 | 72.1 Ų | 72.1 | 61% | 0.611 | 37% | 0.372 | S | S | * | . | trans | -74.6 | 137 | 177.5 | -63.3 | -178 | 177.8 | 177.7 | -2 | 111.3 | M529 R592 | M529-R531 PolarHBondContact O-N 3.22Å; R531-R592 PolarHBondContact O-NH1 2.93Å; R531-R592 VanDerWaalsContact O-NH1 3.09Å | ||
| 532 | S | 53.7 | Low | 66.4 | Low | 57 Ų | 57 | 71.9 Ų | 71.9 | 40% | 0.399 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -79.4 | -23.9 | 179.2 | -56.7 | 0 | 0 | 0 | 0 | 114 | N585 | S532-N585 PolarHBondContact OG-OD1 3.32Š|
| 533 | D | 48.5 | Very low | 66.4 | Low | 154 Ų | 154 | 72 Ų | 72 | 82% | 0.824 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -109.6 | 1.1 | -162.8 | -65.5 | -26.6 | 0 | 0 | 0 | 116.6 | Q535 | D533-Q535 PolarHBondContact O-N 2.75Š|
| 534 | S | 45.4 | Very low | 66.5 | Low | 43 Ų | 43 | 72.7 Ų | 72.7 | 30% | 0.301 | 38% | 0.38 | S | S | . | . | trans | -84.7 | 113.7 | -178.5 | 60.9 | 0 | 0 | 0 | 0 | 111 | F536 | S534-F536 PolarHBondContact O-N 2.83Š| ||
| 535 | Q | 43.7 | Very low | 67.1 | Low | 167 Ų | 167 | 70 Ų | 70 | 78% | 0.78 | 37% | 0.367 | S | S | * | . | trans | -44.5 | 96.2 | 160.6 | -69.6 | 175.9 | -14.4 | 0 | 0 | 110 | D533 T537 | D533-Q535 PolarHBondContact O-N 2.75Å; Q535-T537 WeakPolarHBondContact O-CB 3.33Å; Q535-T537 PolarHBondContact O-N 3.24Å; Q535-T537 PolarHBondContact O-OG1 2.74Å | ||
| 536 | F | 47.8 | Very low | 67.6 | Low | 147 Ų | 147 | 69 Ų | 69 | 65% | 0.645 | 36% | 0.362 | S | S | * | . | S | Bend | trans | 29.3 | 5.3 | 161 | -74.2 | -86.3 | 0 | 0 | 0 | 122.9 | S534 E636 | S534-F536 PolarHBondContact O-N 2.83Å; F536-E636 WeakPolarHBondContact CE1-OE2 3.29Å; F536-E636 VanDerWaalsContact CZ-OE1 3.3Å; F536-E636 WeakPolarHBondContact CZ-OE1 3.34Å; F536-E636 WeakPolarHBondContact CZ-OE2 3.43Å |
| 537 | T | 41.8 | Very low | 68.1 | Low | 125 Ų | 125 | 68.4 Ų | 68.4 | 77% | 0.767 | 36% | 0.36 | S | S | * | . | trans | -120 | -21.6 | -157 | 52.7 | 0 | 0 | 0 | 0 | 114.9 | Q535 S539 | Q535-T537 WeakPolarHBondContact O-CB 3.33Å; Q535-T537 PolarHBondContact O-N 3.24Å; Q535-T537 PolarHBondContact O-OG1 2.74Å; T537-S539 PolarHBondContact O-N 3.33Å | ||
| 538 | E | 43.3 | Very low | 68.8 | Low | 136 Ų | 136 | 68.2 Ų | 68.2 | 64% | 0.636 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -90.8 | 104.9 | 168.2 | -75.6 | -170.4 | 162.4 | 0 | 0 | 110.1 | D540 | E538-D540 PolarHBondContact O-N 3.01Å; E538-D540 VanDerWaalsContact O-N 3.11Å |
| 539 | S | 52 | Low | 69.6 | Low | 98 Ų | 98 | 63.7 Ų | 63.7 | 69% | 0.685 | 34% | 0.338 | S | S | * | . | trans | -60.9 | 111.2 | 173 | 56.6 | 0 | 0 | 0 | 0 | 109.8 | T537 S541 | T537-S539 PolarHBondContact O-N 3.33Å; S539-S541 VanDerWaalsContact C-N 3.35Å; S539-S541 PolarHBondContact O-N 2.86Å | ||
| 540 | D | 65.4 | Low | 70.5 | Confident | 41 Ų | 41 | 58.6 Ų | 58.6 | 22% | 0.219 | 31% | 0.312 | C | S | . | . | trans | -61.2 | 99.6 | 167.1 | -100 | -40.4 | 0 | 0 | 0 | 108.7 | E538 A542 L543 D544 K596 | E538-D540 PolarHBondContact O-N 3.01Å; E538-D540 VanDerWaalsContact O-N 3.11Å; D540-A542 PolarHBondContact O-N 2.99Å; D540-L543 HydrophobicContact CB-CB 3.75Å; D540-L543 HydrophobicContact CB-CD2 4.49Å; D540-L543 WeakPolarHBondContact O-CB 3.4Å; D540-L543 PolarHBondContact O-N 3.07Å; D540-L543 VanDerWaalsContact O-N 3.16Å; D540-D544 PolarHBondContact O-N 3.3Å; D540-K596 PolarHBondContact O-NZ 2.98Å | ||
| 541 | S | 77.3 | Confident | 71.4 | Confident | 50 Ų | 50 | 59.7 Ų | 59.7 | 35% | 0.35 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57.9 | -39.5 | -176 | 179.1 | 0 | 0 | 0 | 0 | 111.4 | S539 D544 D545 K970 | S539-S541 VanDerWaalsContact C-N 3.35Å; S539-S541 PolarHBondContact O-N 2.86Å; S541-D544 WeakPolarHBondContact O-CB 3.29Å; S541-D544 PolarHBondContact O-N 2.95Å; S541-D545 PolarHBondContact O-N 3.03Å; S541-D545 VanDerWaalsContact O-OD2 3.06Å; S541-K970 PolarHBondContact OG-NZ 3.15Å |
| 542 | A | 82 | Confident | 72.6 | Confident | 26 Ų | 26 | 53.5 Ų | 53.5 | 22% | 0.215 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.5 | -36.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L526 D540 D544 D545 F546 | L526-A542 HydrophobicContact CD2-CB 3.68Å; D540-A542 PolarHBondContact O-N 2.99Å; A542-D544 VanDerWaalsContact C-N 3.32Å; A542-D545 PolarHBondContact O-N 3.29Å; A542-F546 PolarHBondContact O-N 3.13Å |
| 543 | L | 86.9 | Confident | 74.5 | Confident | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66 | -38.3 | 173.2 | -171.1 | 72.3 | 0 | 0 | 0 | 111 | M530 D540 F546 V547 L593 K596 | M530-L543 HydrophobicContact SD-CD1 3.79Å; M530-L543 HydrophobicContact SD-CD2 3.78Å; M530-L543 HydrophobicContact SD-CG 4.4Å; D540-L543 HydrophobicContact CB-CB 3.75Å; D540-L543 HydrophobicContact CB-CD2 4.49Å; D540-L543 WeakPolarHBondContact O-CB 3.4Å; D540-L543 PolarHBondContact O-N 3.07Å; D540-L543 VanDerWaalsContact O-N 3.16Å; L543-F546 PolarHBondContact O-N 2.63Å; L543-V547 WeakPolarHBondContact O-CB 3.3Å; L543-V547 VanDerWaalsContact O-CG2 3.29Å; L543-V547 WeakPolarHBondContact O-CG2 3.31Å; L543-V547 PolarHBondContact O-N 2.85Å; L543-L593 HydrophobicContact CD1-CB 4.48Å; L543-L593 HydrophobicContact CD1-CD1 3.53Å; L543-L593 HydrophobicContact CD1-CG 4.44Å; L543-L593 HydrophobicContact CG-CD1 4.31Å; L543-K596 HydrophobicContact CD2-CD 3.59Å; L543-K596 HydrophobicContact CG-CD 3.92Å |
| 544 | D | 89.3 | Confident | 76.7 | Confident | 13 Ų | 13 | 44.2 Ų | 44.2 | 7% | 0.07 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.4 | -42.6 | 174.9 | -155.9 | 38.3 | 0 | 0 | 0 | 111.7 | D540 S541 A542 F546 V547 L548 K596 K970 R973 | D540-D544 PolarHBondContact O-N 3.3Å; S541-D544 WeakPolarHBondContact O-CB 3.29Å; S541-D544 PolarHBondContact O-N 2.95Å; A542-D544 VanDerWaalsContact C-N 3.32Å; D544-F546 VanDerWaalsContact C-N 3.34Å; D544-F546 PolarHBondContact O-N 2.87Å; D544-V547 PolarHBondContact O-N 3.47Å; D544-L548 WeakPolarHBondContact O-CB 3.32Å; D544-L548 VanDerWaalsContact O-CG 3.32Å; D544-L548 WeakPolarHBondContact O-CG 3.31Å; D544-L548 PolarHBondContact O-N 3.31Å; D544-K596 VanDerWaalsContact CA-NZ 3.29Å; D544-K596 VanDerWaalsContact CB-NZ 3.31Å; D544-K596 WeakPolarHBondContact OD1-CE 3.31Å; D544-K596 IonicContact OD1-NZ 2.7Å; D544-K970 WeakPolarHBondContact OD2-CD 3.1Å; D544-R973 IonicContact OD1-NH1 2.83Å; D544-R973 IonicContact OD1-NH2 2.74Å; D544-R973 IonicContact OD2-CZ 3.56Å; D544-R973 IonicContact OD2-NH1 3.69Å; D544-R973 PolarHBondContact OD2-NH1 3.47Å; D544-R973 IonicContact OD2-NH2 3.62Å |
| 545 | D | 93.1 | Very high | 78.8 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.7 | -45.3 | 175.8 | -60.1 | -30.8 | 0 | 0 | 0 | 110.7 | S541 A542 T549 F959 R963 A966 K970 | S541-D545 PolarHBondContact O-N 3.03Å; S541-D545 VanDerWaalsContact O-OD2 3.06Å; A542-D545 PolarHBondContact O-N 3.29Å; D545-T549 WeakPolarHBondContact O-CB 3.49Å; D545-T549 WeakPolarHBondContact O-CG2 3.28Å; D545-T549 PolarHBondContact O-N 2.8Å; D545-T549 PolarHBondContact O-OG1 3.46Å; D545-F959 HydrophobicContact CB-CE1 4.32Å; D545-F959 HydrophobicContact CB-CZ 4.11Å; D545-R963 WeakPolarHBondContact OD2-CG 3.48Å; D545-R963 IonicContact OD2-NE 2.77Å; D545-A966 HydrophobicContact CB-CB 4.11Å; D545-A966 WeakPolarHBondContact OD1-CB 3.33Å; D545-K970 WeakPolarHBondContact OD1-CE 3.48Å; D545-K970 IonicContact OD1-NZ 4Å; D545-K970 PolarHBondContact OD1-NZ 3.41Å; D545-K970 IonicContact OD2-NZ 3.64Å |
| 546 | F | 93.9 | Very high | 81.1 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.009 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.8 | -53.8 | 176.1 | 179.9 | -91.2 | 0 | 0 | 0 | 111.8 | I522 L523 L526 A542 L543 D544 L548 T549 H550 F553 I554 L559 L593 F959 | I522-F546 HydrophobicContact CG2-CD2 3.78Å; I522-F546 HydrophobicContact CG2-CE2 4.08Å; L523-F546 HydrophobicContact CB-CE2 4.29Å; L523-F546 HydrophobicContact CB-CZ 4.11Å; L523-F546 HydrophobicContact CD1-CE1 4.13Å; L523-F546 HydrophobicContact CD1-CZ 4.01Å; L526-F546 HydrophobicContact CD1-CB 3.44Å; L526-F546 VanDerWaalsContact CD1-CB 3.44Å; L526-F546 HydrophobicContact CD1-CD1 4.39Å; L526-F546 HydrophobicContact CD1-CD2 3.6Å; L526-F546 HydrophobicContact CD1-CE2 4.45Å; L526-F546 HydrophobicContact CD1-CG 3.56Å; A542-F546 PolarHBondContact O-N 3.13Å; L543-F546 PolarHBondContact O-N 2.63Å; D544-F546 VanDerWaalsContact C-N 3.34Å; D544-F546 PolarHBondContact O-N 2.87Å; F546-L548 VanDerWaalsContact C-N 3.28Å; F546-L548 PolarHBondContact O-N 3.13Å; F546-T549 PolarHBondContact O-N 3.23Å; F546-H550 HydrophobicContact CD1-CB 4.41Å; F546-H550 HydrophobicContact CE1-CB 4.11Å; F546-H550 HydrophobicContact CZ-CB 4.18Å; F546-H550 WeakPolarHBondContact O-CB 3.24Å; F546-H550 PolarHBondContact O-N 3.43Å; F546-F553 HydrophobicContact CD2-CE2 4.17Å; F546-F553 AromaticContact CD2-CZ 3.79Å; F546-F553 HydrophobicContact CD2-CZ 3.79Å; F546-F553 AromaticContact CE2-CE2 3.75Å; F546-F553 HydrophobicContact CE2-CE2 3.75Å; F546-F553 AromaticContact CE2-CZ 3.85Å; F546-F553 HydrophobicContact CE2-CZ 3.85Å; F546-I554 HydrophobicContact CZ-CG2 4.34Å; F546-L559 HydrophobicContact CE1-CD1 4.3Å; F546-L559 HydrophobicContact CZ-CD1 4.11Å; F546-L593 HydrophobicContact CD1-CD1 4.42Å; F546-F959 HydrophobicContact CB-CE2 4.27Å; F546-F959 HydrophobicContact CB-CZ 4.06Å; F546-F959 HydrophobicContact CD2-CE2 4.26Å |
| 547 | V | 93.6 | Very high | 83.1 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.8 | -39.7 | -177.2 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | L543 D544 T549 H550 L593 K596 W597 V600 | L543-V547 WeakPolarHBondContact O-CB 3.3Å; L543-V547 VanDerWaalsContact O-CG2 3.29Å; L543-V547 WeakPolarHBondContact O-CG2 3.31Å; L543-V547 PolarHBondContact O-N 2.85Å; D544-V547 PolarHBondContact O-N 3.47Å; V547-T549 VanDerWaalsContact C-N 3.33Å; V547-T549 PolarHBondContact O-N 2.93Å; V547-H550 PolarHBondContact O-CE1 3.45Å; V547-H550 PolarHBondContact O-ND1 3.21Å; V547-L593 HydrophobicContact CG2-CD1 3.72Å; V547-K596 HydrophobicContact CG2-CD 4.48Å; V547-K596 HydrophobicContact CG2-CG 4.38Å; V547-W597 HydrophobicContact CG1-CB 4.34Å; V547-W597 HydrophobicContact CG2-CB 4.49Å; V547-V600 HydrophobicContact CG1-CB 3.59Å; V547-V600 HydrophobicContact CG1-CG1 3.9Å; V547-V600 HydrophobicContact CG1-CG2 3.62Å |
| 548 | L | 93.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.8 | -29.2 | 177.5 | -75.9 | 171.7 | 0 | 0 | 0 | 114.1 | D544 F546 V600 E804 A966 V969 K970 | D544-L548 WeakPolarHBondContact O-CB 3.32Å; D544-L548 VanDerWaalsContact O-CG 3.32Å; D544-L548 WeakPolarHBondContact O-CG 3.31Å; D544-L548 PolarHBondContact O-N 3.31Å; F546-L548 VanDerWaalsContact C-N 3.28Å; F546-L548 PolarHBondContact O-N 3.13Å; L548-V600 HydrophobicContact CD2-CG1 3.91Å; L548-E804 HydrophobicContact CD2-CB 4.32Å; L548-A966 HydrophobicContact CD1-CB 4.26Å; L548-V969 HydrophobicContact CD1-CG1 4.29Å; L548-V969 HydrophobicContact CD2-CG1 4.09Å; L548-K970 HydrophobicContact CD1-CD 4.46Å; L548-K970 HydrophobicContact CD1-CG 3.92Å |
| 549 | T | 94.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -119.1 | -6.7 | -167.2 | 63.4 | 0 | 0 | 0 | 0 | 115 | D545 F546 V547 C551 V552 F553 I808 M962 A966 | D545-T549 WeakPolarHBondContact O-CB 3.49Å; D545-T549 WeakPolarHBondContact O-CG2 3.28Å; D545-T549 PolarHBondContact O-N 2.8Å; D545-T549 PolarHBondContact O-OG1 3.46Å; F546-T549 PolarHBondContact O-N 3.23Å; V547-T549 VanDerWaalsContact C-N 3.33Å; V547-T549 PolarHBondContact O-N 2.93Å; T549-C551 PolarHBondContact O-N 2.74Å; T549-C551 VanDerWaalsContact O-N 3.08Å; T549-V552 VanDerWaalsContact O-CB 3.3Å; T549-V552 WeakPolarHBondContact O-CB 3.45Å; T549-V552 WeakPolarHBondContact O-CG2 3.32Å; T549-V552 PolarHBondContact O-N 2.93Å; T549-F553 WeakPolarHBondContact O-CE1 3.43Å; T549-I808 HydrophobicContact CG2-CD1 4.38Å; T549-M962 HydrophobicContact CG2-CB 4.28Å; T549-A966 HydrophobicContact CG2-CB 4.1Å |
| 550 | H | 94.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -52.3 | -36.4 | -178 | 74.4 | -66.2 | 0 | 0 | 0 | 112.3 | F546 V547 V552 F553 I554 N556 L559 W597 H601 | F546-H550 HydrophobicContact CD1-CB 4.41Å; F546-H550 HydrophobicContact CE1-CB 4.11Å; F546-H550 HydrophobicContact CZ-CB 4.18Å; F546-H550 WeakPolarHBondContact O-CB 3.24Å; F546-H550 PolarHBondContact O-N 3.43Å; V547-H550 PolarHBondContact O-CE1 3.45Å; V547-H550 PolarHBondContact O-ND1 3.21Å; H550-V552 PolarHBondContact O-N 3.31Å; H550-F553 HydrophobicContact CB-CZ 4.24Å; H550-F553 PolarHBondContact O-N 3.26Å; H550-I554 CarbonylContact C-O 3.06Å; H550-I554 HydrophobicContact CB-CG2 3.86Å; H550-I554 PolarHBondContact CD2-O 3.44Å; H550-I554 CarbonylContact O-C 3.51Å; H550-I554 PolarHBondContact O-N 2.98Å; H550-N556 PolarHBondContact NE2-OD1 3.27Å; H550-L559 HydrophobicContact CB-CD2 4.44Å; H550-L559 WeakPolarHBondContact CD2-CD2 3.37Å; H550-W597 AromaticContact NE2-NE1 3.86Å; H550-H601 AromaticContact CE1-CE1 3.61Å; H550-H601 AromaticContact CE1-NE2 3.1Å; H550-H601 PolarHBondContact CE1-NE2 2.91Å; H550-H601 AromaticContact NE2-CE1 3.91Å; H550-H601 AromaticContact NE2-NE2 3.73Å |
| 551 | C | 92.1 | Very high | 91.2 | Very high | 25 Ų | 25 | 25.9 Ų | 25.9 | 17% | 0.169 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -58.1 | -17.6 | 179.4 | 64 | 0 | 0 | 0 | 0 | 114.5 | T549 | T549-C551 PolarHBondContact O-N 2.74Å; T549-C551 VanDerWaalsContact O-N 3.08Å |
| 552 | V | 93.1 | Very high | 91.9 | Very high | 32 Ų | 32 | 24.7 Ų | 24.7 | 19% | 0.194 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -76.8 | -31.2 | 175.7 | 176.5 | 0 | 0 | 0 | 0 | 112.3 | T549 H550 I808 F812 T951 M962 | T549-V552 VanDerWaalsContact O-CB 3.3Å; T549-V552 WeakPolarHBondContact O-CB 3.45Å; T549-V552 WeakPolarHBondContact O-CG2 3.32Å; T549-V552 PolarHBondContact O-N 2.93Å; H550-V552 PolarHBondContact O-N 3.31Å; V552-I808 HydrophobicContact CG2-CG2 3.88Å; V552-F812 HydrophobicContact CB-CD1 4.45Å; V552-F812 HydrophobicContact CB-CE1 4.36Å; V552-F812 HydrophobicContact CG1-CD1 3.57Å; V552-F812 HydrophobicContact CG1-CE1 3.34Å; V552-F812 HydrophobicContact CG1-CG 4.35Å; V552-F812 HydrophobicContact CG1-CZ 3.95Å; V552-F812 HydrophobicContact CG2-CD1 4Å; V552-F812 HydrophobicContact CG2-CD2 3.9Å; V552-F812 HydrophobicContact CG2-CE1 4.04Å; V552-F812 HydrophobicContact CG2-CE2 3.94Å; V552-F812 HydrophobicContact CG2-CG 3.94Å; V552-F812 HydrophobicContact CG2-CZ 4Å; V552-T951 HydrophobicContact CG1-CG2 3.79Å; V552-M962 HydrophobicContact CB-SD 4.23Å; V552-M962 HydrophobicContact CG1-CE 4.2Å; V552-M962 HydrophobicContact CG1-SD 4.07Å |
| 553 | F | 93.6 | Very high | 92.4 | Very high | 16 Ų | 16 | 23.5 Ų | 23.5 | 7% | 0.07 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.1 | -18.3 | -169.5 | 59.4 | -97.2 | 0 | 0 | 0 | 115 | P519 F546 T549 H550 F952 V957 F959 M962 | P519-F553 HydrophobicContact CB-CD2 3.98Å; P519-F553 HydrophobicContact CB-CE2 4.43Å; P519-F553 HydrophobicContact CG-CD2 4.12Å; F546-F553 HydrophobicContact CD2-CE2 4.17Å; F546-F553 AromaticContact CD2-CZ 3.79Å; F546-F553 HydrophobicContact CD2-CZ 3.79Å; F546-F553 AromaticContact CE2-CE2 3.75Å; F546-F553 HydrophobicContact CE2-CE2 3.75Å; F546-F553 AromaticContact CE2-CZ 3.85Å; F546-F553 HydrophobicContact CE2-CZ 3.85Å; T549-F553 WeakPolarHBondContact O-CE1 3.43Å; H550-F553 HydrophobicContact CB-CZ 4.24Å; H550-F553 PolarHBondContact O-N 3.26Å; F553-F952 HydrophobicContact CB-CZ 4.39Å; F553-V957 HydrophobicContact CB-CB 4.47Å; F553-V957 HydrophobicContact CB-CG1 3.94Å; F553-V957 HydrophobicContact CB-CG2 3.62Å; F553-V957 HydrophobicContact CD1-CG1 3.72Å; F553-V957 HydrophobicContact CD2-CG1 4.22Å; F553-V957 HydrophobicContact CD2-CG2 3.94Å; F553-V957 HydrophobicContact CE1-CG1 4.25Å; F553-V957 HydrophobicContact CG-CB 4.44Å; F553-V957 HydrophobicContact CG-CG1 3.7Å; F553-V957 HydrophobicContact CG-CG2 3.86Å; F553-F959 HydrophobicContact CZ-CE2 4.27Å; F553-M962 HydrophobicContact CD1-CG 4.16Å; F553-M962 HydrophobicContact CD1-SD 4.13Å; F553-M962 HydrophobicContact CE1-CG 3.96Å; F553-M962 HydrophobicContact CE1-SD 4.33Å |
| 554 | I | 93.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -144 | 100.2 | 171.8 | -169.9 | 172.4 | 0 | 0 | 0 | 110.1 | P519 F546 H550 R558 L559 | P519-I554 HydrophobicContact CB-CB 3.93Å; P519-I554 HydrophobicContact CB-CD1 4.06Å; P519-I554 HydrophobicContact CB-CG1 4.42Å; P519-I554 HydrophobicContact CB-CG2 4.38Å; F546-I554 HydrophobicContact CZ-CG2 4.34Å; H550-I554 CarbonylContact C-O 3.06Å; H550-I554 HydrophobicContact CB-CG2 3.86Å; H550-I554 PolarHBondContact CD2-O 3.44Å; H550-I554 CarbonylContact O-C 3.51Å; H550-I554 PolarHBondContact O-N 2.98Å; I554-R558 HydrophobicContact CG1-CB 3.96Å; I554-L559 HydrophobicContact CD1-CB 4.2Å; I554-L559 HydrophobicContact CD1-CD1 4.2Å; I554-L559 HydrophobicContact CG1-CB 4.09Å |
| 555 | P | 91.3 | Very high | 92.8 | Very high | 59 Ų | 59 | 29.6 Ų | 29.6 | 38% | 0.383 | 17% | 0.168 | S | C | . | . | trans | -68.3 | 159.3 | 178.9 | 29.2 | -35 | 0 | 0 | 0 | 111.3 | S557 R558 L559 | P555-S557 PolarHBondContact O-N 2.82Å; P555-S557 VanDerWaalsContact O-N 3.1Å; P555-R558 HydrophobicContact CG-CG 4.44Å; P555-R558 PolarHBondContact O-N 2.75Å; P555-L559 PolarHBondContact O-N 3.25Å | ||
| 556 | N | 90.8 | Very high | 92.5 | Very high | 23 Ų | 23 | 31.5 Ų | 31.5 | 12% | 0.123 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -52.5 | -35.9 | 179.3 | -71.7 | -10.5 | 0 | 0 | 0 | 113.4 | H550 R558 L559 C560 W597 D609 | H550-N556 PolarHBondContact NE2-OD1 3.27Å; N556-R558 PolarHBondContact O-N 3.01Å; N556-R558 VanDerWaalsContact O-N 3.08Å; N556-L559 PolarHBondContact O-N 3.26Å; N556-C560 WeakPolarHBondContact O-CB 3.46Å; N556-C560 PolarHBondContact O-N 2.97Å; N556-C560 PolarHBondContact O-SG 3.41Å; N556-C560 VanDerWaalsContact O-SG 3.42Å; N556-W597 PolarHBondContact OD1-NE1 3.38Å; N556-D609 VanDerWaalsContact CB-OD1 3.24Å; N556-D609 WeakPolarHBondContact CB-OD1 3.45Å; N556-D609 VanDerWaalsContact ND2-CG 3.25Å; N556-D609 PolarHBondContact ND2-OD1 2.96Å; N556-D609 PolarHBondContact ND2-OD2 3.13Å |
| 557 | S | 90.4 | Very high | 92.4 | Very high | 84 Ų | 84 | 31.4 Ų | 31.4 | 59% | 0.587 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -59.8 | -20.9 | 176.7 | 65.2 | 0 | 0 | 0 | 0 | 114.2 | P555 | P555-S557 PolarHBondContact O-N 2.82Å; P555-S557 VanDerWaalsContact O-N 3.1Å |
| 558 | R | 92.6 | Very high | 92.2 | Very high | 127 Ų | 127 | 36.5 Ų | 36.5 | 48% | 0.479 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -105.2 | -38.7 | 171.8 | -68.2 | -164.7 | 67.6 | -150 | -10.5 | 112.3 | E520 I554 P555 N556 P561 V562 | E520-R558 IonicContact OE1-CZ 3.74Å; E520-R558 IonicContact OE1-NH1 3.86Å; E520-R558 IonicContact OE1-NH2 3.64Å; E520-R558 PolarHBondContact OE1-NH2 3.22Å; I554-R558 HydrophobicContact CG1-CB 3.96Å; P555-R558 HydrophobicContact CG-CG 4.44Å; P555-R558 PolarHBondContact O-N 2.75Å; N556-R558 PolarHBondContact O-N 3.01Å; N556-R558 VanDerWaalsContact O-N 3.08Å; R558-P561 WeakPolarHBondContact O-CD 3.38Å; R558-V562 VanDerWaalsContact O-CG2 3.23Å; R558-V562 WeakPolarHBondContact O-CG2 3.28Å; R558-V562 PolarHBondContact O-N 3.1Å |
| 559 | L | 93.4 | Very high | 91.7 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.016 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.1 | -46.7 | -178.3 | 178.1 | 62.1 | 0 | 0 | 0 | 112.2 | L523 F546 H550 I554 P555 N556 V562 L563 | L523-L559 HydrophobicContact CD2-CD1 3.93Å; F546-L559 HydrophobicContact CE1-CD1 4.3Å; F546-L559 HydrophobicContact CZ-CD1 4.11Å; H550-L559 HydrophobicContact CB-CD2 4.44Å; H550-L559 WeakPolarHBondContact CD2-CD2 3.37Å; I554-L559 HydrophobicContact CD1-CB 4.2Å; I554-L559 HydrophobicContact CD1-CD1 4.2Å; I554-L559 HydrophobicContact CG1-CB 4.09Å; P555-L559 PolarHBondContact O-N 3.25Å; N556-L559 PolarHBondContact O-N 3.26Å; L559-V562 PolarHBondContact O-N 3.35Å; L559-L563 HydrophobicContact CD1-CD1 4.07Å; L559-L563 HydrophobicContact CD1-CD2 4.36Å; L559-L563 HydrophobicContact CD1-CG 3.97Å; L559-L563 HydrophobicContact CD2-CD1 4.39Å; L559-L563 HydrophobicContact CG-CD1 3.83Å; L559-L563 HydrophobicContact CG-CG 4.18Å; L559-L563 WeakPolarHBondContact O-CG 3.44Å; L559-L563 PolarHBondContact O-N 3.26Å |
| 560 | C | 93.9 | Very high | 90.8 | Very high | 10 Ų | 10 | 46.4 Ų | 46.4 | 7% | 0.068 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60 | -48.5 | -176.4 | -67.7 | 0 | 0 | 0 | 0 | 112.6 | N556 V562 L563 S564 F612 | N556-C560 WeakPolarHBondContact O-CB 3.46Å; N556-C560 PolarHBondContact O-N 2.97Å; N556-C560 PolarHBondContact O-SG 3.41Å; N556-C560 VanDerWaalsContact O-SG 3.42Å; C560-V562 PolarHBondContact O-N 2.87Å; C560-L563 PolarHBondContact O-N 3.27Å; C560-S564 PolarHBondContact O-N 3.4Å; C560-S564 PolarHBondContact O-OG 3.25Å; C560-F612 HydrophobicContact CB-CB 4.18Å; C560-F612 HydrophobicContact CB-CD1 3.99Å; C560-F612 HydrophobicContact CB-CD2 3.64Å; C560-F612 HydrophobicContact CB-CE1 4.29Å; C560-F612 HydrophobicContact CB-CE2 3.95Å; C560-F612 HydrophobicContact CB-CG 3.65Å; C560-F612 HydrophobicContact CB-CZ 4.27Å; C560-F612 VanDerWaalsContact O-CE2 3.27Å; C560-F612 WeakPolarHBondContact O-CE2 3.43Å; C560-F612 VanDerWaalsContact SG-CD1 3.56Å |
| 561 | P | 93.1 | Very high | 89.6 | Confident | 67 Ų | 67 | 47.3 Ų | 47.3 | 44% | 0.435 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -57.2 | -44.4 | 171.7 | -26.9 | 34.5 | 0 | 0 | 0 | 113.7 | R558 L563 S564 D565 | R558-P561 WeakPolarHBondContact O-CD 3.38Å; P561-L563 VanDerWaalsContact C-N 3.31Å; P561-L563 PolarHBondContact O-N 2.72Å; P561-S564 WeakPolarHBondContact O-CB 3.41Å; P561-S564 PolarHBondContact O-N 2.77Å; P561-S564 VanDerWaalsContact O-N 3.12Å; P561-D565 PolarHBondContact O-N 3.43Å |
| 562 | V | 91.1 | Very high | 88.1 | Confident | 25 Ų | 25 | 51.7 Ų | 51.7 | 15% | 0.152 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.8 | -37.9 | 179.4 | 172.2 | 0 | 0 | 0 | 0 | 111.6 | L523 R558 L559 C560 D565 H566 | L523-V562 HydrophobicContact CD2-CG1 3.56Å; R558-V562 VanDerWaalsContact O-CG2 3.23Å; R558-V562 WeakPolarHBondContact O-CG2 3.28Å; R558-V562 PolarHBondContact O-N 3.1Å; L559-V562 PolarHBondContact O-N 3.35Å; C560-V562 PolarHBondContact O-N 2.87Å; V562-D565 PolarHBondContact O-N 3.4Å; V562-H566 PolarHBondContact O-CD2 2.97Å; V562-H566 VanDerWaalsContact O-CD2 3.26Å; V562-H566 PolarHBondContact O-N 2.64Å |
| 563 | L | 93.3 | Very high | 86.2 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 173.9 | -69.7 | 172.5 | 0 | 0 | 0 | 112 | L523 L559 C560 P561 H566 Y567 L593 V594 F612 | L523-L563 HydrophobicContact CD1-CD2 4.06Å; L523-L563 HydrophobicContact CD2-CD2 4.13Å; L559-L563 HydrophobicContact CD1-CD1 4.07Å; L559-L563 HydrophobicContact CD1-CD2 4.36Å; L559-L563 HydrophobicContact CD1-CG 3.97Å; L559-L563 HydrophobicContact CD2-CD1 4.39Å; L559-L563 HydrophobicContact CG-CD1 3.83Å; L559-L563 HydrophobicContact CG-CG 4.18Å; L559-L563 WeakPolarHBondContact O-CG 3.44Å; L559-L563 PolarHBondContact O-N 3.26Å; C560-L563 PolarHBondContact O-N 3.27Å; P561-L563 VanDerWaalsContact C-N 3.31Å; P561-L563 PolarHBondContact O-N 2.72Å; L563-H566 PolarHBondContact O-N 3.32Å; L563-Y567 WeakPolarHBondContact O-CB 3.5Å; L563-Y567 PolarHBondContact O-N 3.49Å; L563-L593 HydrophobicContact CD2-CD2 3.52Å; L563-L593 HydrophobicContact CD2-CG 4.31Å; L563-V594 HydrophobicContact CD1-CG2 4.13Å; L563-F612 HydrophobicContact CB-CZ 4.11Å; L563-F612 HydrophobicContact CD1-CZ 4.27Å |
| 564 | S | 92.8 | Very high | 84.5 | Confident | 31 Ų | 31 | 62 Ų | 62 | 22% | 0.217 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 172.7 | -70.5 | 0 | 0 | 0 | 0 | 111.5 | C560 P561 Y567 H568 F612 | C560-S564 PolarHBondContact O-N 3.4Å; C560-S564 PolarHBondContact O-OG 3.25Å; P561-S564 WeakPolarHBondContact O-CB 3.41Å; P561-S564 PolarHBondContact O-N 2.77Å; P561-S564 VanDerWaalsContact O-N 3.12Å; S564-Y567 WeakPolarHBondContact O-CB 3.48Å; S564-Y567 PolarHBondContact O-N 3.41Å; S564-H568 PolarHBondContact O-N 3.19Å; S564-H568 VanDerWaalsContact O-N 3.14Å; S564-H568 PolarHBondContact O-ND1 3.43Å; S564-F612 WeakPolarHBondContact OG-CE2 3.33Å |
| 565 | D | 90.8 | Very high | 83.5 | Confident | 114 Ų | 114 | 64.8 Ų | 64.8 | 61% | 0.61 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.1 | -45 | 178.2 | -68.1 | -21.3 | 0 | 0 | 0 | 111.1 | P561 V562 Y567 H568 A569 | P561-D565 PolarHBondContact O-N 3.43Å; V562-D565 PolarHBondContact O-N 3.4Å; D565-Y567 VanDerWaalsContact C-N 3.3Å; D565-Y567 PolarHBondContact O-N 3.22Å; D565-H568 PolarHBondContact O-N 3.03Å; D565-A569 PolarHBondContact O-N 3.46Å |
| 566 | H | 87.3 | Confident | 82.9 | Confident | 40 Ų | 40 | 70.4 Ų | 70.4 | 19% | 0.185 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.5 | -36.7 | 174.2 | -86.7 | -74.8 | 0 | 0 | 0 | 112.5 | L527 V562 L563 H568 A569 N586 V590 | L527-H566 HydrophobicContact CD1-CB 4.26Å; V562-H566 PolarHBondContact O-CD2 2.97Å; V562-H566 VanDerWaalsContact O-CD2 3.26Å; V562-H566 PolarHBondContact O-N 2.64Å; L563-H566 PolarHBondContact O-N 3.32Å; H566-H568 VanDerWaalsContact C-N 3.33Å; H566-H568 PolarHBondContact O-N 3.07Å; H566-A569 WeakPolarHBondContact O-CB 3.47Å; H566-A569 PolarHBondContact O-N 3.35Å; H566-N586 PolarHBondContact O-ND2 3Å; H566-V590 HydrophobicContact CB-CG2 4.01Å |
| 567 | Y | 91.2 | Very high | 82.2 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64.3 | -37.7 | 177.3 | -173.8 | -102.2 | 0 | 0 | 0 | 112.8 | L563 S564 D565 K587 V590 I591 F616 A619 V620 D623 | L563-Y567 WeakPolarHBondContact O-CB 3.5Å; L563-Y567 PolarHBondContact O-N 3.49Å; S564-Y567 WeakPolarHBondContact O-CB 3.48Å; S564-Y567 PolarHBondContact O-N 3.41Å; D565-Y567 VanDerWaalsContact C-N 3.3Å; D565-Y567 PolarHBondContact O-N 3.22Å; Y567-K587 HydrophobicContact CD2-CB 4.17Å; Y567-K587 HydrophobicContact CD2-CG 3.94Å; Y567-K587 HydrophobicContact CE1-CD 4.28Å; Y567-K587 HydrophobicContact CE2-CB 3.68Å; Y567-K587 HydrophobicContact CE2-CD 4Å; Y567-K587 HydrophobicContact CE2-CG 3.64Å; Y567-K587 WeakPolarHBondContact O-CE 3.46Å; Y567-V590 HydrophobicContact CD2-CB 4.22Å; Y567-V590 HydrophobicContact CD2-CG1 4.24Å; Y567-I591 HydrophobicContact CE2-CD1 4.01Å; Y567-I591 HydrophobicContact CE2-CG1 3.9Å; Y567-F616 HydrophobicContact CD1-CE2 4.35Å; Y567-F616 AromaticContact CD2-CE2 3.73Å; Y567-F616 HydrophobicContact CD2-CE2 3.73Å; Y567-F616 AromaticContact CD2-CZ 3.82Å; Y567-F616 HydrophobicContact CD2-CZ 3.82Å; Y567-F616 HydrophobicContact CE2-CE2 4.33Å; Y567-F616 HydrophobicContact CE2-CZ 4.15Å; Y567-F616 AromaticContact CG-CE2 3.75Å; Y567-F616 HydrophobicContact CG-CE2 3.75Å; Y567-F616 HydrophobicContact CG-CZ 4.32Å; Y567-A619 HydrophobicContact CE1-CB 4.16Å; Y567-V620 HydrophobicContact CE2-CG2 3.97Å; Y567-V620 WeakPolarHBondContact OH-CA 3.11Å; Y567-D623 WeakPolarHBondContact CE1-OD2 3.4Å; Y567-D623 PolarHBondContact OH-OD2 2.98Å |
| 568 | H | 89.6 | Confident | 81.5 | Confident | 109 Ų | 109 | 78.2 Ų | 78.2 | 51% | 0.505 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -90.4 | -3.3 | -179 | -62 | 95.1 | 0 | 0 | 0 | 113.7 | S564 D565 H566 Q570 | S564-H568 PolarHBondContact O-N 3.19Å; S564-H568 VanDerWaalsContact O-N 3.14Å; S564-H568 PolarHBondContact O-ND1 3.43Å; D565-H568 PolarHBondContact O-N 3.03Å; H566-H568 VanDerWaalsContact C-N 3.33Å; H566-H568 PolarHBondContact O-N 3.07Å; H568-Q570 PolarHBondContact O-N 3.27Å |
| 569 | A | 84 | Confident | 80.8 | Confident | 37 Ų | 37 | 75.7 Ų | 75.7 | 31% | 0.306 | 40% | 0.402 | S | S | . | . | trans | -60.9 | 133.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D565 H566 | D565-A569 PolarHBondContact O-N 3.46Å; H566-A569 WeakPolarHBondContact O-CB 3.47Å; H566-A569 PolarHBondContact O-N 3.35Å | ||
| 570 | Q | 75.5 | Confident | 80.2 | Confident | 171 Ų | 171 | 80.4 Ų | 80.4 | 80% | 0.799 | 43% | 0.427 | S | S | * | . | trans | -109.1 | 144.5 | 178 | -64.2 | -173.3 | -6.2 | 0 | 0 | 111 | H568 S572 | H568-Q570 PolarHBondContact O-N 3.27Å; Q570-S572 PolarHBondContact O-N 3.42Å | ||
| 571 | A | 68.6 | Low | 79.5 | Confident | 20 Ų | 20 | 84.3 Ų | 84.3 | 17% | 0.165 | 45% | 0.448 | C | S | . | . | trans | -67.4 | 129.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | K579 Y582 | A571-K579 HydrophobicContact CB-CB 4.43Å; A571-K579 HydrophobicContact CB-CG 4Å; A571-K579 WeakPolarHBondContact O-CE 3.47Å; A571-Y582 HydrophobicContact CB-CD1 3.72Å; A571-Y582 HydrophobicContact CB-CE1 4.26Å; A571-Y582 HydrophobicContact CB-CG 4.23Å | ||
| 572 | S | 59.9 | Low | 78.8 | Confident | 117 Ų | 117 | 86.1 Ų | 86.1 | 82% | 0.818 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -86 | -21.4 | -171.5 | 46.9 | 0 | 0 | 0 | 0 | 114.3 | Q570 | Q570-S572 PolarHBondContact O-N 3.42Š|
| 573 | Q | 54.7 | Low | 78.4 | Confident | 153 Ų | 153 | 86.3 Ų | 86.3 | 72% | 0.715 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -137.8 | 154.9 | 174.5 | -61.5 | -160.3 | -11 | 0 | 0 | 109 | ||
| 574 | D | 56.3 | Low | 78 | Confident | 110 Ų | 110 | 87.5 Ų | 87.5 | 59% | 0.588 | 45% | 0.454 | S | S | * | . | S | Bend | trans | 118.1 | 166.2 | 177.5 | -56.6 | -24.3 | 0 | 0 | 0 | 115.6 | E578 K579 | D574-E578 HydrophobicContact CB-CB 3.91Å; D574-K579 HydrophobicContact CB-CG 4.39Å; D574-K579 WeakPolarHBondContact O-CD 3.16Å; D574-K579 WeakPolarHBondContact O-CE 3.33Å; D574-K579 PolarHBondContact O-NZ 2.76Å |
| 575 | S | 73.8 | Confident | 77.5 | Confident | 59 Ų | 59 | 87.5 Ų | 87.5 | 41% | 0.413 | 45% | 0.451 | S | S | . | . | trans | -64.8 | 156 | 178.5 | 69.9 | 0 | 0 | 0 | 0 | 111.9 | M577 E578 K579 | S575-M577 PolarHBondContact O-N 3.01Å; S575-M577 VanDerWaalsContact O-N 3.11Å; S575-E578 WeakPolarHBondContact CB-OE2 3.07Å; S575-E578 PolarHBondContact N-OE2 3.47Å; S575-E578 VanDerWaalsContact N-OE2 3.17Å; S575-E578 PolarHBondContact O-N 3.35Å; S575-E578 VanDerWaalsContact O-N 3.16Å; S575-E578 VanDerWaalsContact OG-CD 3.24Å; S575-E578 WeakPolarHBondContact OG-CG 3.34Å; S575-E578 PolarHBondContact OG-OE2 3.22Å; S575-K579 WeakPolarHBondContact O-CG 3.47Å; S575-K579 PolarHBondContact O-N 3.03Å | ||
| 576 | E | 77 | Confident | 77.1 | Confident | 178 Ų | 178 | 82.5 Ų | 82.5 | 83% | 0.832 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -57.5 | -31 | -177 | -69.3 | -154.8 | 151.7 | 0 | 0 | 113.4 | L580 | E576-L580 WeakPolarHBondContact O-CB 3.35Å; E576-L580 PolarHBondContact O-N 3.42Å; E576-L580 VanDerWaalsContact O-N 3.13Å |
| 577 | M | 77.3 | Confident | 77.2 | Confident | 162 Ų | 162 | 81.4 Ų | 81.4 | 80% | 0.798 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -73.9 | -41.7 | 178.8 | -169.1 | 170.6 | 179.1 | 0 | 0 | 112.5 | S575 L580 D581 | S575-M577 PolarHBondContact O-N 3.01Å; S575-M577 VanDerWaalsContact O-N 3.11Å; M577-L580 PolarHBondContact O-N 3.48Å; M577-D581 PolarHBondContact O-N 3.16Å; M577-D581 VanDerWaalsContact O-N 3.09Å |
| 578 | E | 75.6 | Confident | 77.1 | Confident | 108 Ų | 108 | 85.1 Ų | 85.1 | 51% | 0.505 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -68.4 | -39.1 | 176.1 | -72.2 | 161.5 | 153.4 | 0 | 0 | 111.5 | D574 S575 L580 D581 Y582 | D574-E578 HydrophobicContact CB-CB 3.91Å; S575-E578 WeakPolarHBondContact CB-OE2 3.07Å; S575-E578 PolarHBondContact N-OE2 3.47Å; S575-E578 VanDerWaalsContact N-OE2 3.17Å; S575-E578 PolarHBondContact O-N 3.35Å; S575-E578 VanDerWaalsContact O-N 3.16Å; S575-E578 VanDerWaalsContact OG-CD 3.24Å; S575-E578 WeakPolarHBondContact OG-CG 3.34Å; S575-E578 PolarHBondContact OG-OE2 3.22Å; E578-L580 VanDerWaalsContact C-N 3.31Å; E578-L580 PolarHBondContact O-N 2.91Å; E578-D581 PolarHBondContact O-N 3.22Å; E578-Y582 WeakPolarHBondContact O-CB 3.43Å; E578-Y582 PolarHBondContact O-N 2.96Å |
| 579 | K | 77.3 | Confident | 76.9 | Confident | 74 Ų | 74 | 82.5 Ų | 82.5 | 32% | 0.322 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.2 | -42.1 | 173.6 | -73.2 | 179.6 | 168 | 167.4 | 0 | 112 | A571 D574 S575 T583 | A571-K579 HydrophobicContact CB-CB 4.43Å; A571-K579 HydrophobicContact CB-CG 4Å; A571-K579 WeakPolarHBondContact O-CE 3.47Å; D574-K579 HydrophobicContact CB-CG 4.39Å; D574-K579 WeakPolarHBondContact O-CD 3.16Å; D574-K579 WeakPolarHBondContact O-CE 3.33Å; D574-K579 PolarHBondContact O-NZ 2.76Å; S575-K579 WeakPolarHBondContact O-CG 3.47Å; S575-K579 PolarHBondContact O-N 3.03Å; K579-T583 VanDerWaalsContact O-CB 3.25Å; K579-T583 WeakPolarHBondContact O-CB 3.35Å; K579-T583 PolarHBondContact O-N 3.38Å; K579-T583 PolarHBondContact O-OG1 3.41Å |
| 580 | L | 80.4 | Confident | 77.2 | Confident | 102 Ų | 102 | 80.7 Ų | 80.7 | 53% | 0.534 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.1 | -44.1 | 177.9 | -173.8 | 65.8 | 0 | 0 | 0 | 111.4 | E576 M577 E578 T583 L584 L627 | E576-L580 WeakPolarHBondContact O-CB 3.35Å; E576-L580 PolarHBondContact O-N 3.42Å; E576-L580 VanDerWaalsContact O-N 3.13Å; M577-L580 PolarHBondContact O-N 3.48Å; E578-L580 VanDerWaalsContact C-N 3.31Å; E578-L580 PolarHBondContact O-N 2.91Å; L580-T583 PolarHBondContact O-N 2.88Å; L580-L584 WeakPolarHBondContact O-CB 3.33Å; L580-L584 PolarHBondContact O-N 3.14Å; L580-L627 HydrophobicContact CD1-CD2 4.1Å |
| 581 | D | 79.9 | Confident | 78 | Confident | 93 Ų | 93 | 72.6 Ų | 72.6 | 50% | 0.497 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.8 | -45.2 | 178.7 | -172.9 | 58 | 0 | 0 | 0 | 112.4 | M577 E578 T583 L584 N585 | M577-D581 PolarHBondContact O-N 3.16Å; M577-D581 VanDerWaalsContact O-N 3.09Å; E578-D581 PolarHBondContact O-N 3.22Å; D581-T583 PolarHBondContact O-N 2.91Å; D581-L584 PolarHBondContact O-N 3.36Å; D581-N585 WeakPolarHBondContact O-CB 3.39Å; D581-N585 PolarHBondContact O-N 2.86Å; D581-N585 PolarHBondContact O-ND2 3.17Å; D581-N585 VanDerWaalsContact O-ND2 3.08Å; D581-N585 PolarHBondContact OD1-ND2 3.4Å; D581-N585 PolarHBondContact OD2-ND2 3.33Å |
| 582 | Y | 78.6 | Confident | 79 | Confident | 105 Ų | 105 | 74.1 Ų | 74.1 | 41% | 0.412 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -57.2 | -49 | 173.6 | 177 | -90.2 | 0 | 0 | 0 | 111.4 | A571 E578 L584 N585 N586 | A571-Y582 HydrophobicContact CB-CD1 3.72Å; A571-Y582 HydrophobicContact CB-CE1 4.26Å; A571-Y582 HydrophobicContact CB-CG 4.23Å; E578-Y582 WeakPolarHBondContact O-CB 3.43Å; E578-Y582 PolarHBondContact O-N 2.96Å; Y582-L584 VanDerWaalsContact C-N 3.34Å; Y582-L584 PolarHBondContact O-N 3.18Å; Y582-N585 PolarHBondContact O-N 3.19Å; Y582-N586 HydrophobicContact CE1-CB 4.42Å; Y582-N586 VanDerWaalsContact O-CB 3.29Å; Y582-N586 WeakPolarHBondContact O-CB 3.4Å; Y582-N586 PolarHBondContact O-N 3.15Å |
| 583 | T | 82 | Confident | 80.4 | Confident | 28 Ų | 28 | 68.7 Ų | 68.7 | 17% | 0.172 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.4 | -44.4 | -179.3 | -58.2 | 0 | 0 | 0 | 0 | 110.8 | K579 L580 D581 N586 K587 | K579-T583 VanDerWaalsContact O-CB 3.25Å; K579-T583 WeakPolarHBondContact O-CB 3.35Å; K579-T583 PolarHBondContact O-N 3.38Å; K579-T583 PolarHBondContact O-OG1 3.41Å; L580-T583 PolarHBondContact O-N 2.88Å; D581-T583 PolarHBondContact O-N 2.91Å; T583-N586 PolarHBondContact O-N 3.48Å; T583-K587 HydrophobicContact CG2-CD 4.42Å; T583-K587 WeakPolarHBondContact O-CB 3.5Å; T583-K587 WeakPolarHBondContact O-CG 3.36Å; T583-K587 PolarHBondContact O-N 3.45Å |
| 584 | L | 84.8 | Confident | 82.2 | Confident | 27 Ų | 27 | 61.4 Ų | 61.4 | 14% | 0.141 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.1 | -48.2 | 176.9 | 177.8 | 63 | 0 | 0 | 0 | 111.6 | L580 D581 Y582 K587 R588 L627 A629 L630 | L580-L584 WeakPolarHBondContact O-CB 3.33Å; L580-L584 PolarHBondContact O-N 3.14Å; D581-L584 PolarHBondContact O-N 3.36Å; Y582-L584 VanDerWaalsContact C-N 3.34Å; Y582-L584 PolarHBondContact O-N 3.18Å; L584-K587 PolarHBondContact O-N 2.99Å; L584-R588 VanDerWaalsContact O-CG 3.31Å; L584-R588 WeakPolarHBondContact O-CG 3.38Å; L584-R588 PolarHBondContact O-N 3.39Å; L584-L627 HydrophobicContact CD1-CB 4.4Å; L584-L627 HydrophobicContact CD1-CD1 4.28Å; L584-A629 HydrophobicContact CD1-CB 3.93Å; L584-A629 HydrophobicContact CD2-CB 3.85Å; L584-A629 HydrophobicContact CG-CB 4.48Å; L584-L630 HydrophobicContact CD1-CD2 3.83Å; L584-L630 HydrophobicContact CD1-CG 4Å |
| 585 | N | 82.3 | Confident | 83.9 | Confident | 30 Ų | 30 | 56.8 Ų | 56.8 | 16% | 0.16 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 180 | -75.5 | -43.9 | 0 | 0 | 0 | 112.1 | S532 D581 Y582 R588 R589 | S532-N585 PolarHBondContact OG-OD1 3.32Å; D581-N585 WeakPolarHBondContact O-CB 3.39Å; D581-N585 PolarHBondContact O-N 2.86Å; D581-N585 PolarHBondContact O-ND2 3.17Å; D581-N585 VanDerWaalsContact O-ND2 3.08Å; D581-N585 PolarHBondContact OD1-ND2 3.4Å; D581-N585 PolarHBondContact OD2-ND2 3.33Å; Y582-N585 PolarHBondContact O-N 3.19Å; N585-R588 PolarHBondContact O-N 2.92Å; N585-R589 WeakPolarHBondContact O-CB 3.43Å; N585-R589 WeakPolarHBondContact O-CD 3.48Å; N585-R589 VanDerWaalsContact O-CG 3.24Å; N585-R589 WeakPolarHBondContact O-CG 3.33Å; N585-R589 PolarHBondContact O-N 3.33Å |
| 586 | N | 83 | Confident | 84.6 | Confident | 9 Ų | 9 | 56.2 Ų | 56.2 | 5% | 0.048 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61 | -48.1 | 174.1 | 179.9 | 50.7 | 0 | 0 | 0 | 111.6 | H566 Y582 T583 R588 R589 V590 | H566-N586 PolarHBondContact O-ND2 3Å; Y582-N586 HydrophobicContact CE1-CB 4.42Å; Y582-N586 VanDerWaalsContact O-CB 3.29Å; Y582-N586 WeakPolarHBondContact O-CB 3.4Å; Y582-N586 PolarHBondContact O-N 3.15Å; T583-N586 PolarHBondContact O-N 3.48Å; N586-R588 VanDerWaalsContact C-N 3.34Å; N586-R588 PolarHBondContact O-N 3.11Å; N586-R589 WeakPolarHBondContact O-CB 3.48Å; N586-R589 PolarHBondContact O-N 3.18Å; N586-R589 VanDerWaalsContact O-N 3.15Å; N586-V590 WeakPolarHBondContact O-CG2 3.35Å; N586-V590 PolarHBondContact O-N 3.14Å |
| 587 | K | 90 | Very high | 85.3 | Confident | 17 Ų | 17 | 47.9 Ų | 47.9 | 7% | 0.074 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.3 | -45.6 | 175.1 | -73.8 | -172 | -180 | -149.4 | 0 | 111.9 | Y567 T583 L584 R589 V590 I591 D623 | Y567-K587 HydrophobicContact CD2-CB 4.17Å; Y567-K587 HydrophobicContact CD2-CG 3.94Å; Y567-K587 HydrophobicContact CE1-CD 4.28Å; Y567-K587 HydrophobicContact CE2-CB 3.68Å; Y567-K587 HydrophobicContact CE2-CD 4Å; Y567-K587 HydrophobicContact CE2-CG 3.64Å; Y567-K587 WeakPolarHBondContact O-CE 3.46Å; T583-K587 HydrophobicContact CG2-CD 4.42Å; T583-K587 WeakPolarHBondContact O-CB 3.5Å; T583-K587 WeakPolarHBondContact O-CG 3.36Å; T583-K587 PolarHBondContact O-N 3.45Å; L584-K587 PolarHBondContact O-N 2.99Å; K587-R589 VanDerWaalsContact C-N 3.31Å; K587-R589 PolarHBondContact O-N 3.41Å; K587-V590 PolarHBondContact O-N 3.43Å; K587-I591 WeakPolarHBondContact O-CD1 3.47Å; K587-I591 WeakPolarHBondContact O-CG1 3.17Å; K587-I591 PolarHBondContact O-N 3.25Å; K587-D623 IonicContact NZ-OD1 2.83Å; K587-D623 PolarHBondContact NZ-OD1 3.49Å; K587-D623 IonicContact NZ-OD2 3.58Å; K587-D623 PolarHBondContact NZ-OD2 3.11Å |
| 588 | R | 87.9 | Confident | 85.9 | Confident | 78 Ų | 78 | 40.1 Ų | 40.1 | 29% | 0.294 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -58.4 | -41.3 | 176.5 | -73.5 | 175.9 | 157.6 | -171.3 | -10.9 | 112.8 | L584 N585 N586 R592 A629 L630 Q633 | L584-R588 VanDerWaalsContact O-CG 3.31Å; L584-R588 WeakPolarHBondContact O-CG 3.38Å; L584-R588 PolarHBondContact O-N 3.39Å; N585-R588 PolarHBondContact O-N 2.92Å; N586-R588 VanDerWaalsContact C-N 3.34Å; N586-R588 PolarHBondContact O-N 3.11Å; R588-R592 WeakPolarHBondContact O-CB 3.34Å; R588-R592 PolarHBondContact O-N 3.35Å; R588-R592 VanDerWaalsContact O-N 3.07Å; R588-A629 PolarHBondContact NE-O 3.28Å; R588-A629 PolarHBondContact NH2-O 2.94Å; R588-L630 HydrophobicContact CG-CD2 3.61Å; R588-Q633 VanDerWaalsContact CG-OE1 3.31Å; R588-Q633 PolarHBondContact O-NE2 2.85Å |
| 589 | R | 86.4 | Confident | 86.5 | Confident | 54 Ų | 54 | 38.3 Ų | 38.3 | 20% | 0.204 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.7 | -50.2 | 177.4 | -75.9 | 160.7 | 168.9 | -175.5 | -0.6 | 111.2 | L527 E528 M530 N585 N586 K587 I591 R592 L593 | L527-R589 HydrophobicContact CD2-CB 4.22Å; L527-R589 WeakPolarHBondContact O-CD 3.41Å; L527-R589 PolarHBondContact O-NE 3.33Å; E528-R589 PolarHBondContact O-NH2 2.67Å; M530-R589 HydrophobicContact CB-CG 4.11Å; M530-R589 HydrophobicContact CE-CB 3.56Å; M530-R589 HydrophobicContact CE-CG 3.81Å; M530-R589 WeakPolarHBondContact CE-O 3.48Å; M530-R589 PolarHBondContact O-NE 3.17Å; M530-R589 VanDerWaalsContact O-NE 3.12Å; M530-R589 PolarHBondContact O-NH2 3.05Å; N585-R589 WeakPolarHBondContact O-CB 3.43Å; N585-R589 WeakPolarHBondContact O-CD 3.48Å; N585-R589 VanDerWaalsContact O-CG 3.24Å; N585-R589 WeakPolarHBondContact O-CG 3.33Å; N585-R589 PolarHBondContact O-N 3.33Å; N586-R589 WeakPolarHBondContact O-CB 3.48Å; N586-R589 PolarHBondContact O-N 3.18Å; N586-R589 VanDerWaalsContact O-N 3.15Å; K587-R589 VanDerWaalsContact C-N 3.31Å; K587-R589 PolarHBondContact O-N 3.41Å; R589-I591 PolarHBondContact O-N 3.06Å; R589-R592 WeakPolarHBondContact O-CB 3.5Å; R589-R592 PolarHBondContact O-N 3.5Å; R589-L593 PolarHBondContact O-N 3.07Å |
| 590 | V | 90.8 | Very high | 87 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.9 | -44.6 | 178.6 | 179 | 0 | 0 | 0 | 0 | 111.2 | L527 H566 Y567 N586 K587 R592 L593 V594 F616 | L527-V590 HydrophobicContact CD1-CG2 4.15Å; L527-V590 HydrophobicContact CD2-CG2 4.14Å; H566-V590 HydrophobicContact CB-CG2 4.01Å; Y567-V590 HydrophobicContact CD2-CB 4.22Å; Y567-V590 HydrophobicContact CD2-CG1 4.24Å; N586-V590 WeakPolarHBondContact O-CG2 3.35Å; N586-V590 PolarHBondContact O-N 3.14Å; K587-V590 PolarHBondContact O-N 3.43Å; V590-R592 VanDerWaalsContact C-N 3.31Å; V590-R592 PolarHBondContact O-N 3.4Å; V590-L593 PolarHBondContact O-N 2.98Å; V590-V594 HydrophobicContact CG1-CG2 4.31Å; V590-V594 WeakPolarHBondContact O-CG2 3.5Å; V590-V594 PolarHBondContact O-N 3.25Å; V590-F616 HydrophobicContact CG1-CE2 4.1Å; V590-F616 HydrophobicContact CG1-CZ 4.01Å |
| 591 | I | 91.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.8 | -44.5 | 176.4 | -64.6 | 161.1 | 0 | 0 | 0 | 110.9 | Y567 K587 R589 L593 V594 M595 F616 V620 L630 Q633 | Y567-I591 HydrophobicContact CE2-CD1 4.01Å; Y567-I591 HydrophobicContact CE2-CG1 3.9Å; K587-I591 WeakPolarHBondContact O-CD1 3.47Å; K587-I591 WeakPolarHBondContact O-CG1 3.17Å; K587-I591 PolarHBondContact O-N 3.25Å; R589-I591 PolarHBondContact O-N 3.06Å; I591-L593 PolarHBondContact O-N 3.33Å; I591-V594 PolarHBondContact O-N 2.61Å; I591-M595 HydrophobicContact CG2-CE 4.15Å; I591-M595 HydrophobicContact CG2-CG 4.32Å; I591-M595 HydrophobicContact CG2-SD 4.31Å; I591-M595 WeakPolarHBondContact O-CG 3.5Å; I591-M595 PolarHBondContact O-N 3.31Å; I591-F616 HydrophobicContact CG1-CE1 4.08Å; I591-F616 HydrophobicContact CG1-CZ 3.98Å; I591-V620 HydrophobicContact CD1-CG1 3.79Å; I591-V620 HydrophobicContact CD1-CG2 4.01Å; I591-V620 HydrophobicContact CG1-CG1 4.4Å; I591-V620 HydrophobicContact CG1-CG2 3.86Å; I591-L630 HydrophobicContact CD1-CD2 3.98Å; I591-Q633 HydrophobicContact CG2-CB 3.89Å |
| 592 | R | 88.4 | Confident | 87.3 | Confident | 52 Ų | 52 | 27.6 Ų | 27.6 | 20% | 0.196 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.3 | -42.3 | 178.1 | -177.6 | 178.2 | -178.5 | -176.5 | -1.5 | 112.6 | M530 R531 R588 R589 V590 K596 | M530-R592 HydrophobicContact CE-CB 4.03Å; M530-R592 HydrophobicContact CE-CG 4.29Å; R531-R592 PolarHBondContact O-NH1 2.93Å; R531-R592 VanDerWaalsContact O-NH1 3.09Å; R588-R592 WeakPolarHBondContact O-CB 3.34Å; R588-R592 PolarHBondContact O-N 3.35Å; R588-R592 VanDerWaalsContact O-N 3.07Å; R589-R592 WeakPolarHBondContact O-CB 3.5Å; R589-R592 PolarHBondContact O-N 3.5Å; V590-R592 VanDerWaalsContact C-N 3.31Å; V590-R592 PolarHBondContact O-N 3.4Å; R592-K596 PolarHBondContact O-N 3.29Å; R592-K596 VanDerWaalsContact O-N 3.11Å |
| 593 | L | 90.1 | Very high | 87 | Confident | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.016 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.8 | -45.7 | 175.9 | 169.5 | 61.4 | 0 | 0 | 0 | 111.2 | L523 L527 L543 F546 V547 L563 R589 V590 I591 M595 K596 W597 | L523-L593 HydrophobicContact CD1-CD2 3.3Å; L527-L593 HydrophobicContact CD2-CB 4.16Å; L527-L593 HydrophobicContact CD2-CD2 3.87Å; L527-L593 HydrophobicContact CG-CD2 4.38Å; L543-L593 HydrophobicContact CD1-CB 4.48Å; L543-L593 HydrophobicContact CD1-CD1 3.53Å; L543-L593 HydrophobicContact CD1-CG 4.44Å; L543-L593 HydrophobicContact CG-CD1 4.31Å; F546-L593 HydrophobicContact CD1-CD1 4.42Å; V547-L593 HydrophobicContact CG2-CD1 3.72Å; L563-L593 HydrophobicContact CD2-CD2 3.52Å; L563-L593 HydrophobicContact CD2-CG 4.31Å; R589-L593 PolarHBondContact O-N 3.07Å; V590-L593 PolarHBondContact O-N 2.98Å; I591-L593 PolarHBondContact O-N 3.33Å; L593-M595 PolarHBondContact O-N 2.91Å; L593-K596 PolarHBondContact O-N 3.16Å; L593-W597 WeakPolarHBondContact O-CB 3.42Å; L593-W597 PolarHBondContact O-N 3.09Å |
| 594 | V | 93.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.5 | -43.8 | 178.1 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | L563 V590 I591 K596 W597 A598 F612 L613 F616 L637 | L563-V594 HydrophobicContact CD1-CG2 4.13Å; V590-V594 HydrophobicContact CG1-CG2 4.31Å; V590-V594 WeakPolarHBondContact O-CG2 3.5Å; V590-V594 PolarHBondContact O-N 3.25Å; I591-V594 PolarHBondContact O-N 2.61Å; V594-K596 VanDerWaalsContact C-N 3.34Å; V594-K596 PolarHBondContact O-N 3Å; V594-W597 HydrophobicContact CG1-CE3 4.49Å; V594-W597 PolarHBondContact O-N 3.44Å; V594-A598 WeakPolarHBondContact O-CB 3.33Å; V594-A598 PolarHBondContact O-N 3.34Å; V594-F612 HydrophobicContact CG1-CE1 4.34Å; V594-F612 HydrophobicContact CG2-CE1 4.49Å; V594-F612 HydrophobicContact CG2-CZ 4.3Å; V594-L613 HydrophobicContact CG1-CD2 3.73Å; V594-F616 HydrophobicContact CB-CD1 4.43Å; V594-F616 HydrophobicContact CB-CE1 3.96Å; V594-F616 HydrophobicContact CB-CZ 4.4Å; V594-F616 HydrophobicContact CG1-CD1 3.91Å; V594-F616 HydrophobicContact CG1-CE1 3.93Å; V594-F616 HydrophobicContact CG2-CD1 4.41Å; V594-F616 HydrophobicContact CG2-CE1 3.93Å; V594-F616 HydrophobicContact CG2-CE2 4.37Å; V594-F616 HydrophobicContact CG2-CZ 3.91Å; V594-L637 HydrophobicContact CG1-CD1 4.43Å |
| 595 | M | 90.4 | Very high | 86.4 | Confident | 13 Ų | 13 | 27.4 Ų | 27.4 | 6% | 0.064 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.7 | -43.3 | 175.2 | -72.6 | -169.2 | -59.1 | 0 | 0 | 112 | I591 L593 A599 E636 L637 I640 | I591-M595 HydrophobicContact CG2-CE 4.15Å; I591-M595 HydrophobicContact CG2-CG 4.32Å; I591-M595 HydrophobicContact CG2-SD 4.31Å; I591-M595 WeakPolarHBondContact O-CG 3.5Å; I591-M595 PolarHBondContact O-N 3.31Å; L593-M595 PolarHBondContact O-N 2.91Å; M595-A599 WeakPolarHBondContact O-CB 3.2Å; M595-A599 PolarHBondContact O-N 3.31Å; M595-E636 HydrophobicContact SD-CB 3.81Å; M595-L637 HydrophobicContact CG-CB 4.24Å; M595-L637 HydrophobicContact CG-CD1 3.79Å; M595-L637 HydrophobicContact SD-CB 4.21Å; M595-I640 HydrophobicContact CB-CD1 3.81Å; M595-I640 HydrophobicContact CG-CD1 3.97Å; M595-I640 HydrophobicContact SD-CD1 4.25Å |
| 596 | K | 89.3 | Confident | 86 | Confident | 47 Ų | 47 | 30.1 Ų | 30.1 | 20% | 0.204 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68 | -41.7 | 178.1 | -170.1 | 175 | -177.2 | 179.6 | 0 | 112.1 | D540 L543 D544 V547 R592 L593 V594 A599 V600 | D540-K596 PolarHBondContact O-NZ 2.98Å; L543-K596 HydrophobicContact CD2-CD 3.59Å; L543-K596 HydrophobicContact CG-CD 3.92Å; D544-K596 VanDerWaalsContact CA-NZ 3.29Å; D544-K596 VanDerWaalsContact CB-NZ 3.31Å; D544-K596 WeakPolarHBondContact OD1-CE 3.31Å; D544-K596 IonicContact OD1-NZ 2.7Å; V547-K596 HydrophobicContact CG2-CD 4.48Å; V547-K596 HydrophobicContact CG2-CG 4.38Å; R592-K596 PolarHBondContact O-N 3.29Å; R592-K596 VanDerWaalsContact O-N 3.11Å; L593-K596 PolarHBondContact O-N 3.16Å; V594-K596 VanDerWaalsContact C-N 3.34Å; V594-K596 PolarHBondContact O-N 3Å; K596-A599 PolarHBondContact O-N 3.27Å; K596-V600 WeakPolarHBondContact O-CG2 3.36Å; K596-V600 PolarHBondContact O-N 2.94Å |
| 597 | W | 92.4 | Very high | 85.7 | Confident | 3 Ų | 3 | 37.7 Ų | 37.7 | 1% | 0.011 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.1 | -48.9 | 174.6 | 167.3 | 85.4 | 0 | 0 | 0 | 111.4 | V547 H550 N556 L593 V594 A599 V600 H601 L605 D609 F612 L613 | V547-W597 HydrophobicContact CG1-CB 4.34Å; V547-W597 HydrophobicContact CG2-CB 4.49Å; H550-W597 AromaticContact NE2-NE1 3.86Å; N556-W597 PolarHBondContact OD1-NE1 3.38Å; L593-W597 WeakPolarHBondContact O-CB 3.42Å; L593-W597 PolarHBondContact O-N 3.09Å; V594-W597 HydrophobicContact CG1-CE3 4.49Å; V594-W597 PolarHBondContact O-N 3.44Å; W597-A599 VanDerWaalsContact C-N 3.32Å; W597-A599 PolarHBondContact O-N 3.49Å; W597-V600 PolarHBondContact O-N 3.05Å; W597-H601 AromaticContact CD1-CD2 3.6Å; W597-H601 AromaticContact CD1-NE2 3.54Å; W597-H601 AromaticContact NE1-CD2 3.6Å; W597-H601 AromaticContact NE1-CE1 3.78Å; W597-H601 AromaticContact NE1-NE2 3.35Å; W597-H601 PolarHBondContact NE1-NE2 3.1Å; W597-H601 PolarHBondContact O-CD2 3.3Å; W597-H601 VanDerWaalsContact O-CD2 3.25Å; W597-H601 PolarHBondContact O-N 3.19Å; W597-L605 HydrophobicContact CH2-CD2 3.62Å; W597-L605 HydrophobicContact CZ2-CD2 3.84Å; W597-L605 HydrophobicContact CZ3-CD2 4.05Å; W597-D609 HydrophobicContact CH2-CB 3.91Å; W597-D609 HydrophobicContact CZ2-CB 4.24Å; W597-F612 HydrophobicContact CH2-CD1 4.03Å; W597-F612 HydrophobicContact CH2-CE1 4.35Å; W597-F612 HydrophobicContact CZ3-CD1 4.02Å; W597-F612 HydrophobicContact CZ3-CE1 4.01Å; W597-L613 HydrophobicContact CE3-CD2 4.41Å; W597-L613 HydrophobicContact CH2-CG 4.47Å; W597-L613 HydrophobicContact CZ3-CD1 4.05Å; W597-L613 HydrophobicContact CZ3-CD2 3.76Å; W597-L613 HydrophobicContact CZ3-CG 3.83Å |
| 598 | A | 89.9 | Confident | 85.3 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.8 | -41.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V594 H601 G602 L613 I640 | V594-A598 WeakPolarHBondContact O-CB 3.33Å; V594-A598 PolarHBondContact O-N 3.34Å; A598-H601 PolarHBondContact O-N 2.97Å; A598-G602 PolarHBondContact O-N 3.01Å; A598-L613 HydrophobicContact CB-CD1 4.29Å; A598-L613 HydrophobicContact CB-CD2 4.28Å; A598-I640 HydrophobicContact CB-CG2 3.81Å |
| 599 | A | 87.9 | Confident | 85.2 | Confident | 69 Ų | 69 | 40.1 Ų | 40.1 | 57% | 0.57 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -65.5 | -37 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | M595 K596 W597 | M595-A599 WeakPolarHBondContact O-CB 3.2Å; M595-A599 PolarHBondContact O-N 3.31Å; K596-A599 PolarHBondContact O-N 3.27Å; W597-A599 VanDerWaalsContact C-N 3.32Å; W597-A599 PolarHBondContact O-N 3.49Å |
| 600 | V | 88 | Confident | 85.1 | Confident | 20 Ų | 20 | 38.7 Ų | 38.7 | 12% | 0.121 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -74.1 | -37.6 | 177.5 | 169.7 | 0 | 0 | 0 | 0 | 111.7 | V547 L548 K596 W597 H803 | V547-V600 HydrophobicContact CG1-CB 3.59Å; V547-V600 HydrophobicContact CG1-CG1 3.9Å; V547-V600 HydrophobicContact CG1-CG2 3.62Å; L548-V600 HydrophobicContact CD2-CG1 3.91Å; K596-V600 WeakPolarHBondContact O-CG2 3.36Å; K596-V600 PolarHBondContact O-N 2.94Å; W597-V600 PolarHBondContact O-N 3.05Å; V600-H803 PolarHBondContact O-CE1 3.1Å; V600-H803 PolarHBondContact O-NE2 2.95Å |
| 601 | H | 84.2 | Confident | 85 | Confident | 5 Ų | 5 | 41.8 Ų | 41.8 | 2% | 0.023 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -75 | -40.3 | 178 | -79.4 | -112.2 | 0 | 0 | 0 | 112 | H550 W597 A598 E603 H604 L605 | H550-H601 AromaticContact CE1-CE1 3.61Å; H550-H601 AromaticContact CE1-NE2 3.1Å; H550-H601 PolarHBondContact CE1-NE2 2.91Å; H550-H601 AromaticContact NE2-CE1 3.91Å; H550-H601 AromaticContact NE2-NE2 3.73Å; W597-H601 AromaticContact CD1-CD2 3.6Å; W597-H601 AromaticContact CD1-NE2 3.54Å; W597-H601 AromaticContact NE1-CD2 3.6Å; W597-H601 AromaticContact NE1-CE1 3.78Å; W597-H601 AromaticContact NE1-NE2 3.35Å; W597-H601 PolarHBondContact NE1-NE2 3.1Å; W597-H601 PolarHBondContact O-CD2 3.3Å; W597-H601 VanDerWaalsContact O-CD2 3.25Å; W597-H601 PolarHBondContact O-N 3.19Å; A598-H601 PolarHBondContact O-N 2.97Å; H601-E603 PolarHBondContact O-N 3.14Å; H601-E603 VanDerWaalsContact O-N 3.14Å; H601-H604 VanDerWaalsContact O-CB 3.3Å; H601-H604 WeakPolarHBondContact O-CB 3.41Å; H601-H604 PolarHBondContact O-N 3.38Å; H601-L605 HydrophobicContact CB-CD2 3.55Å; H601-L605 HydrophobicContact CB-CG 3.75Å |
| 602 | G | 82.7 | Confident | 85.1 | Confident | 20 Ų | 20 | 42.4 Ų | 42.4 | 21% | 0.206 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | 46.1 | -118.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | A598 H604 L605 | A598-G602 PolarHBondContact O-N 3.01Å; G602-H604 PolarHBondContact O-N 3.42Å; G602-H604 VanDerWaalsContact O-N 3.14Å; G602-L605 WeakPolarHBondContact O-CD1 3.34Å; G602-L605 WeakPolarHBondContact O-CG 3.46Å; G602-L605 PolarHBondContact O-N 3.05Å |
| 603 | E | 71.6 | Confident | 85.2 | Confident | 92 Ų | 92 | 40 Ų | 40 | 43% | 0.43 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -67.9 | -8.2 | -179.7 | -56.7 | -168.9 | 175.5 | 0 | 0 | 115.2 | H601 D647 K676 | H601-E603 PolarHBondContact O-N 3.14Å; H601-E603 VanDerWaalsContact O-N 3.14Å; E603-D647 HydrophobicContact CG-CB 4.36Å; E603-K676 WeakPolarHBondContact OE2-CE 3.33Å; E603-K676 IonicContact OE2-NZ 3.12Å; E603-K676 PolarHBondContact OE2-NZ 3.16Å |
| 604 | H | 74.6 | Confident | 85.2 | Confident | 42 Ų | 42 | 45 Ų | 45 | 19% | 0.194 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -89.1 | -3.1 | 179.2 | -68.7 | 73.2 | 0 | 0 | 0 | 114.1 | H601 G602 Q606 H803 K819 | H601-H604 VanDerWaalsContact O-CB 3.3Å; H601-H604 WeakPolarHBondContact O-CB 3.41Å; H601-H604 PolarHBondContact O-N 3.38Å; G602-H604 PolarHBondContact O-N 3.42Å; G602-H604 VanDerWaalsContact O-N 3.14Å; H604-Q606 PolarHBondContact O-N 3.33Å; H604-H803 WeakPolarHBondContact CE1-CB 3.46Å; H604-H803 AromaticContact CE1-CD2 3.41Å; H604-H803 PolarHBondContact CE1-CD2 3.3Å; H604-H803 VanDerWaalsContact CE1-CD2 3.41Å; H604-H803 AromaticContact CE1-CG 3.14Å; H604-H803 AromaticContact CE1-ND1 3.66Å; H604-H803 AromaticContact ND1-CD2 3.41Å; H604-H803 PolarHBondContact ND1-CD2 3.07Å; H604-H803 AromaticContact ND1-CE1 3.68Å; H604-H803 AromaticContact ND1-CG 3.43Å; H604-H803 AromaticContact ND1-ND1 3.6Å; H604-H803 AromaticContact ND1-NE2 3.58Å; H604-H803 AromaticContact NE2-CG 3.89Å; H604-K819 PolarHBondContact O-NZ 2.97Å |
| 605 | L | 79.4 | Confident | 85.3 | Confident | 22 Ų | 22 | 51.1 Ų | 51.1 | 12% | 0.115 | 26% | 0.262 | C | S | . | . | trans | -60.5 | 126.8 | 174.9 | -69.5 | 169.1 | 0 | 0 | 0 | 110 | W597 H601 G602 D609 M610 L613 | W597-L605 HydrophobicContact CH2-CD2 3.62Å; W597-L605 HydrophobicContact CZ2-CD2 3.84Å; W597-L605 HydrophobicContact CZ3-CD2 4.05Å; H601-L605 HydrophobicContact CB-CD2 3.55Å; H601-L605 HydrophobicContact CB-CG 3.75Å; G602-L605 WeakPolarHBondContact O-CD1 3.34Å; G602-L605 WeakPolarHBondContact O-CG 3.46Å; G602-L605 PolarHBondContact O-N 3.05Å; L605-D609 HydrophobicContact CB-CB 4.2Å; L605-D609 HydrophobicContact CD2-CB 3.75Å; L605-M610 HydrophobicContact CB-CG 4.44Å; L605-M610 HydrophobicContact CB-SD 4.1Å; L605-M610 HydrophobicContact CD1-SD 3.99Å; L605-L613 HydrophobicContact CD1-CD1 3.76Å | ||
| 606 | Q | 73.9 | Confident | 85.5 | Confident | 87 Ų | 87 | 50.8 Ų | 50.8 | 41% | 0.407 | 26% | 0.26 | S | S | . | . | trans | -80.8 | 168.5 | 175.6 | -62.2 | -178.3 | -38.5 | 0 | 0 | 110.9 | H604 Q608 D609 M610 K819 | H604-Q606 PolarHBondContact O-N 3.33Å; Q606-Q608 PolarHBondContact O-N 2.99Å; Q606-D609 WeakPolarHBondContact CB-OD2 3.29Å; Q606-D609 PolarHBondContact N-OD2 3.43Å; Q606-D609 WeakPolarHBondContact O-CB 3.26Å; Q606-D609 PolarHBondContact O-N 3.19Å; Q606-M610 PolarHBondContact O-N 2.92Å; Q606-K819 VanDerWaalsContact NE2-CE 3.31Å | ||
| 607 | Q | 77.5 | Confident | 85.6 | Confident | 167 Ų | 167 | 50.1 Ų | 50.1 | 78% | 0.78 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -55.7 | -39.3 | 175.8 | -170.7 | 174 | 12.2 | 0 | 0 | 112.7 | M610 V611 | Q607-M610 PolarHBondContact O-N 2.97Å; Q607-V611 WeakPolarHBondContact O-CG2 3.49Å; Q607-V611 PolarHBondContact O-N 3.49Å |
| 608 | Q | 81.2 | Confident | 85.7 | Confident | 142 Ų | 142 | 54.2 Ų | 54.2 | 66% | 0.664 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -65.4 | -37.9 | 175.9 | -67.2 | -177.8 | -5.9 | 0 | 0 | 112.5 | Q606 M610 V611 F612 | Q606-Q608 PolarHBondContact O-N 2.99Å; Q608-M610 VanDerWaalsContact C-N 3.31Å; Q608-M610 PolarHBondContact O-N 3.11Å; Q608-V611 PolarHBondContact O-N 3.14Å; Q608-F612 PolarHBondContact O-N 2.7Å; Q608-F612 VanDerWaalsContact O-N 3.12Å |
| 609 | D | 85.3 | Confident | 85.9 | Confident | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.6 | -37.8 | 176.9 | -56.8 | -34.9 | 0 | 0 | 0 | 110.9 | N556 W597 L605 Q606 F612 L613 | N556-D609 VanDerWaalsContact CB-OD1 3.24Å; N556-D609 WeakPolarHBondContact CB-OD1 3.45Å; N556-D609 VanDerWaalsContact ND2-CG 3.25Å; N556-D609 PolarHBondContact ND2-OD1 2.96Å; N556-D609 PolarHBondContact ND2-OD2 3.13Å; W597-D609 HydrophobicContact CH2-CB 3.91Å; W597-D609 HydrophobicContact CZ2-CB 4.24Å; L605-D609 HydrophobicContact CB-CB 4.2Å; L605-D609 HydrophobicContact CD2-CB 3.75Å; Q606-D609 WeakPolarHBondContact CB-OD2 3.29Å; Q606-D609 PolarHBondContact N-OD2 3.43Å; Q606-D609 WeakPolarHBondContact O-CB 3.26Å; Q606-D609 PolarHBondContact O-N 3.19Å; D609-F612 PolarHBondContact O-N 3.33Å; D609-L613 PolarHBondContact O-N 3.22Å |
| 610 | M | 85.2 | Confident | 86.2 | Confident | 24 Ų | 24 | 52.1 Ų | 52.1 | 12% | 0.118 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.9 | -39.8 | 175.7 | -67.9 | -59.4 | -63.3 | 0 | 0 | 112.4 | L605 Q606 Q607 Q608 F612 L613 E614 A645 | L605-M610 HydrophobicContact CB-CG 4.44Å; L605-M610 HydrophobicContact CB-SD 4.1Å; L605-M610 HydrophobicContact CD1-SD 3.99Å; Q606-M610 PolarHBondContact O-N 2.92Å; Q607-M610 PolarHBondContact O-N 2.97Å; Q608-M610 VanDerWaalsContact C-N 3.31Å; Q608-M610 PolarHBondContact O-N 3.11Å; M610-F612 VanDerWaalsContact C-N 3.33Å; M610-F612 PolarHBondContact O-N 3Å; M610-L613 PolarHBondContact O-N 2.9Å; M610-L613 HydrophobicContact SD-CD1 4.19Å; M610-E614 WeakPolarHBondContact O-CG 3.32Å; M610-E614 PolarHBondContact O-N 2.83Å; M610-A645 HydrophobicContact CE-CB 4.06Å |
| 611 | V | 88.9 | Confident | 86.4 | Confident | 65 Ų | 65 | 52.6 Ų | 52.6 | 39% | 0.394 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.4 | -45.7 | 174 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | Q607 Q608 L613 E614 E615 | Q607-V611 WeakPolarHBondContact O-CG2 3.49Å; Q607-V611 PolarHBondContact O-N 3.49Å; Q608-V611 PolarHBondContact O-N 3.14Å; V611-L613 PolarHBondContact O-N 3.45Å; V611-E614 PolarHBondContact O-N 3.01Å; V611-E615 HydrophobicContact CG1-CG 4.48Å; V611-E615 WeakPolarHBondContact O-CG 3.5Å; V611-E615 PolarHBondContact O-N 2.8Å |
| 612 | F | 93.1 | Very high | 86.8 | Confident | 14 Ų | 14 | 57.1 Ų | 57.1 | 6% | 0.061 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.5 | -45.2 | 174.4 | 163.5 | -104.1 | 0 | 0 | 0 | 112.4 | C560 L563 S564 V594 W597 Q608 D609 M610 E614 E615 F616 | C560-F612 HydrophobicContact CB-CB 4.18Å; C560-F612 HydrophobicContact CB-CD1 3.99Å; C560-F612 HydrophobicContact CB-CD2 3.64Å; C560-F612 HydrophobicContact CB-CE1 4.29Å; C560-F612 HydrophobicContact CB-CE2 3.95Å; C560-F612 HydrophobicContact CB-CG 3.65Å; C560-F612 HydrophobicContact CB-CZ 4.27Å; C560-F612 VanDerWaalsContact O-CE2 3.27Å; C560-F612 WeakPolarHBondContact O-CE2 3.43Å; C560-F612 VanDerWaalsContact SG-CD1 3.56Å; L563-F612 HydrophobicContact CB-CZ 4.11Å; L563-F612 HydrophobicContact CD1-CZ 4.27Å; S564-F612 WeakPolarHBondContact OG-CE2 3.33Å; V594-F612 HydrophobicContact CG1-CE1 4.34Å; V594-F612 HydrophobicContact CG2-CE1 4.49Å; V594-F612 HydrophobicContact CG2-CZ 4.3Å; W597-F612 HydrophobicContact CH2-CD1 4.03Å; W597-F612 HydrophobicContact CH2-CE1 4.35Å; W597-F612 HydrophobicContact CZ3-CD1 4.02Å; W597-F612 HydrophobicContact CZ3-CE1 4.01Å; Q608-F612 PolarHBondContact O-N 2.7Å; Q608-F612 VanDerWaalsContact O-N 3.12Å; D609-F612 PolarHBondContact O-N 3.33Å; M610-F612 VanDerWaalsContact C-N 3.33Å; M610-F612 PolarHBondContact O-N 3Å; F612-E614 PolarHBondContact O-N 3.08Å; F612-E615 PolarHBondContact O-N 3.3Å; F612-F616 HydrophobicContact CE2-CB 4.42Å; F612-F616 HydrophobicContact CE2-CD2 4.41Å; F612-F616 HydrophobicContact CZ-CB 4.46Å; F612-F616 HydrophobicContact CZ-CD2 4.34Å; F612-F616 HydrophobicContact CZ-CG 4.44Å; F612-F616 WeakPolarHBondContact O-CB 3.35Å; F612-F616 PolarHBondContact O-N 3.28Å |
| 613 | L | 91.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 178.7 | -78.4 | 173.2 | 0 | 0 | 0 | 112.7 | V594 W597 A598 L605 D609 M610 V611 L617 I641 | V594-L613 HydrophobicContact CG1-CD2 3.73Å; W597-L613 HydrophobicContact CE3-CD2 4.41Å; W597-L613 HydrophobicContact CH2-CG 4.47Å; W597-L613 HydrophobicContact CZ3-CD1 4.05Å; W597-L613 HydrophobicContact CZ3-CD2 3.76Å; W597-L613 HydrophobicContact CZ3-CG 3.83Å; A598-L613 HydrophobicContact CB-CD1 4.29Å; A598-L613 HydrophobicContact CB-CD2 4.28Å; L605-L613 HydrophobicContact CD1-CD1 3.76Å; D609-L613 PolarHBondContact O-N 3.22Å; M610-L613 PolarHBondContact O-N 2.9Å; M610-L613 HydrophobicContact SD-CD1 4.19Å; V611-L613 PolarHBondContact O-N 3.45Å; L613-L617 VanDerWaalsContact O-CB 3.27Å; L613-L617 WeakPolarHBondContact O-CB 3.36Å; L613-L617 PolarHBondContact O-N 3.1Å; L613-I641 HydrophobicContact CB-CD1 4.11Å; L613-I641 HydrophobicContact CB-CG1 4.24Å; L613-I641 HydrophobicContact CD2-CD1 4.34Å; L613-I641 HydrophobicContact CD2-CG1 4.32Å; L613-I641 WeakPolarHBondContact O-CD1 3.41Å |
| 614 | E | 90.2 | Very high | 88.2 | Confident | 109 Ų | 109 | 53.8 Ų | 53.8 | 51% | 0.509 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.3 | -46.8 | 176.4 | -72.2 | 176.4 | 177.2 | 0 | 0 | 111.4 | M610 V611 F612 L617 V618 | M610-E614 WeakPolarHBondContact O-CG 3.32Å; M610-E614 PolarHBondContact O-N 2.83Å; V611-E614 PolarHBondContact O-N 3.01Å; F612-E614 PolarHBondContact O-N 3.08Å; E614-L617 PolarHBondContact O-N 3.24Å; E614-V618 WeakPolarHBondContact O-CG2 3.49Å; E614-V618 PolarHBondContact O-N 3.1Å; E614-V618 VanDerWaalsContact O-N 3.13Å |
| 615 | E | 93.4 | Very high | 89 | Confident | 129 Ų | 129 | 58.2 Ų | 58.2 | 60% | 0.603 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -62.6 | -43.2 | 175.9 | -71.9 | 178.1 | 175.7 | 0 | 0 | 112 | V611 F612 V618 A619 | V611-E615 HydrophobicContact CG1-CG 4.48Å; V611-E615 WeakPolarHBondContact O-CG 3.5Å; V611-E615 PolarHBondContact O-N 2.8Å; F612-E615 PolarHBondContact O-N 3.3Å; E615-V618 PolarHBondContact O-N 2.78Å; E615-A619 PolarHBondContact O-N 3.25Å; E615-A619 VanDerWaalsContact O-N 3.09Å |
| 616 | F | 94.4 | Very high | 89.5 | Confident | 5 Ų | 5 | 62.6 Ų | 62.6 | 2% | 0.022 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 177.8 | -171.8 | -101.8 | 0 | 0 | 0 | 111.7 | Y567 V590 I591 V594 F612 V618 A619 V620 L637 | Y567-F616 HydrophobicContact CD1-CE2 4.35Å; Y567-F616 AromaticContact CD2-CE2 3.73Å; Y567-F616 HydrophobicContact CD2-CE2 3.73Å; Y567-F616 AromaticContact CD2-CZ 3.82Å; Y567-F616 HydrophobicContact CD2-CZ 3.82Å; Y567-F616 HydrophobicContact CE2-CE2 4.33Å; Y567-F616 HydrophobicContact CE2-CZ 4.15Å; Y567-F616 AromaticContact CG-CE2 3.75Å; Y567-F616 HydrophobicContact CG-CE2 3.75Å; Y567-F616 HydrophobicContact CG-CZ 4.32Å; V590-F616 HydrophobicContact CG1-CE2 4.1Å; V590-F616 HydrophobicContact CG1-CZ 4.01Å; I591-F616 HydrophobicContact CG1-CE1 4.08Å; I591-F616 HydrophobicContact CG1-CZ 3.98Å; V594-F616 HydrophobicContact CB-CD1 4.43Å; V594-F616 HydrophobicContact CB-CE1 3.96Å; V594-F616 HydrophobicContact CB-CZ 4.4Å; V594-F616 HydrophobicContact CG1-CD1 3.91Å; V594-F616 HydrophobicContact CG1-CE1 3.93Å; V594-F616 HydrophobicContact CG2-CD1 4.41Å; V594-F616 HydrophobicContact CG2-CE1 3.93Å; V594-F616 HydrophobicContact CG2-CE2 4.37Å; V594-F616 HydrophobicContact CG2-CZ 3.91Å; F612-F616 HydrophobicContact CE2-CB 4.42Å; F612-F616 HydrophobicContact CE2-CD2 4.41Å; F612-F616 HydrophobicContact CZ-CB 4.46Å; F612-F616 HydrophobicContact CZ-CD2 4.34Å; F612-F616 HydrophobicContact CZ-CG 4.44Å; F612-F616 WeakPolarHBondContact O-CB 3.35Å; F612-F616 PolarHBondContact O-N 3.28Å; F616-V618 VanDerWaalsContact C-N 3.32Å; F616-V618 PolarHBondContact O-N 3.18Å; F616-A619 PolarHBondContact O-N 2.73Å; F616-V620 HydrophobicContact CD1-CG2 4.03Å; F616-V620 HydrophobicContact CE1-CG2 3.71Å; F616-V620 HydrophobicContact CZ-CG2 4Å; F616-V620 VanDerWaalsContact O-CG2 3.3Å; F616-V620 WeakPolarHBondContact O-CG2 3.22Å; F616-V620 PolarHBondContact O-N 2.84Å; F616-L637 HydrophobicContact CD1-CD2 4.02Å; F616-L637 HydrophobicContact CE1-CD2 4.12Å |
| 617 | L | 92.8 | Very high | 90.1 | Very high | 33 Ų | 33 | 59.9 Ų | 59.9 | 17% | 0.173 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 175.7 | 179.1 | 63.7 | 0 | 0 | 0 | 111.8 | L613 E614 V620 S621 L634 L637 E638 I641 | L613-L617 VanDerWaalsContact O-CB 3.27Å; L613-L617 WeakPolarHBondContact O-CB 3.36Å; L613-L617 PolarHBondContact O-N 3.1Å; E614-L617 PolarHBondContact O-N 3.24Å; L617-V620 PolarHBondContact O-N 2.82Å; L617-S621 VanDerWaalsContact O-CB 3.32Å; L617-S621 WeakPolarHBondContact O-CB 3.28Å; L617-S621 PolarHBondContact O-N 3.1Å; L617-S621 PolarHBondContact O-OG 3.23Å; L617-L634 HydrophobicContact CD1-CD1 3.54Å; L617-L637 HydrophobicContact CD1-CD2 3.97Å; L617-L637 HydrophobicContact CD1-CG 4.12Å; L617-E638 HydrophobicContact CD1-CG 3.72Å; L617-E638 HydrophobicContact CD2-CG 4.35Å; L617-I641 HydrophobicContact CB-CD1 3.76Å; L617-I641 HydrophobicContact CD1-CD1 4.27Å; L617-I641 HydrophobicContact CD2-CD1 4.02Å; L617-I641 HydrophobicContact CG-CD1 4.23Å |
| 618 | V | 93.9 | Very high | 90.6 | Very high | 90 Ų | 90 | 55.9 Ų | 55.9 | 55% | 0.545 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62 | -46.4 | 175.7 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | E614 E615 F616 V620 S621 E622 | E614-V618 WeakPolarHBondContact O-CG2 3.49Å; E614-V618 PolarHBondContact O-N 3.1Å; E614-V618 VanDerWaalsContact O-N 3.13Å; E615-V618 PolarHBondContact O-N 2.78Å; F616-V618 VanDerWaalsContact C-N 3.32Å; F616-V618 PolarHBondContact O-N 3.18Å; V618-V620 PolarHBondContact O-N 3.14Å; V618-S621 WeakPolarHBondContact O-CB 3.34Å; V618-S621 PolarHBondContact O-N 3.01Å; V618-E622 PolarHBondContact O-N 3.34Å |
| 619 | A | 93.6 | Very high | 90.8 | Very high | 24 Ų | 24 | 50.9 Ų | 50.9 | 20% | 0.198 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.4 | -48.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y567 E615 F616 S621 E622 D623 | Y567-A619 HydrophobicContact CE1-CB 4.16Å; E615-A619 PolarHBondContact O-N 3.25Å; E615-A619 VanDerWaalsContact O-N 3.09Å; F616-A619 PolarHBondContact O-N 2.73Å; A619-S621 VanDerWaalsContact C-N 3.3Å; A619-S621 PolarHBondContact O-N 2.82Å; A619-E622 PolarHBondContact O-N 3.42Å; A619-D623 PolarHBondContact O-N 3.28Å |
| 620 | V | 94.3 | Very high | 91 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.2 | -36.6 | 177.4 | 179.1 | 0 | 0 | 0 | 0 | 111.9 | Y567 I591 F616 L617 V618 D623 A624 L634 L637 | Y567-V620 HydrophobicContact CE2-CG2 3.97Å; Y567-V620 WeakPolarHBondContact OH-CA 3.11Å; I591-V620 HydrophobicContact CD1-CG1 3.79Å; I591-V620 HydrophobicContact CD1-CG2 4.01Å; I591-V620 HydrophobicContact CG1-CG1 4.4Å; I591-V620 HydrophobicContact CG1-CG2 3.86Å; F616-V620 HydrophobicContact CD1-CG2 4.03Å; F616-V620 HydrophobicContact CE1-CG2 3.71Å; F616-V620 HydrophobicContact CZ-CG2 4Å; F616-V620 VanDerWaalsContact O-CG2 3.3Å; F616-V620 WeakPolarHBondContact O-CG2 3.22Å; F616-V620 PolarHBondContact O-N 2.84Å; L617-V620 PolarHBondContact O-N 2.82Å; V618-V620 PolarHBondContact O-N 3.14Å; V620-D623 PolarHBondContact O-N 2.97Å; V620-A624 VanDerWaalsContact O-CB 3.26Å; V620-A624 WeakPolarHBondContact O-CB 3.19Å; V620-A624 PolarHBondContact O-N 3.4Å; V620-L634 HydrophobicContact CB-CD1 4.45Å; V620-L634 HydrophobicContact CG1-CB 4.32Å; V620-L634 HydrophobicContact CG1-CD1 4.02Å; V620-L637 HydrophobicContact CB-CD2 4.47Å; V620-L637 HydrophobicContact CG2-CD2 4.23Å |
| 621 | S | 92.8 | Very high | 91.1 | Very high | 30 Ų | 30 | 56.3 Ų | 56.3 | 21% | 0.21 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66 | -42.7 | 178.3 | -61.7 | 0 | 0 | 0 | 0 | 112.3 | L617 V618 A619 A624 K625 L634 | L617-S621 VanDerWaalsContact O-CB 3.32Å; L617-S621 WeakPolarHBondContact O-CB 3.28Å; L617-S621 PolarHBondContact O-N 3.1Å; L617-S621 PolarHBondContact O-OG 3.23Å; V618-S621 WeakPolarHBondContact O-CB 3.34Å; V618-S621 PolarHBondContact O-N 3.01Å; A619-S621 VanDerWaalsContact C-N 3.3Å; A619-S621 PolarHBondContact O-N 2.82Å; S621-A624 PolarHBondContact O-N 3.1Å; S621-K625 PolarHBondContact O-N 3.17Å; S621-L634 WeakPolarHBondContact OG-CD1 3.16Å |
| 622 | E | 93.3 | Very high | 90.9 | Very high | 101 Ų | 101 | 59.6 Ų | 59.6 | 47% | 0.472 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.5 | -44 | 175.6 | -69 | -53.8 | 135.5 | 0 | 0 | 111.3 | V618 A619 A624 K625 | V618-E622 PolarHBondContact O-N 3.34Å; A619-E622 PolarHBondContact O-N 3.42Å; E622-A624 PolarHBondContact O-N 3.13Å; E622-K625 WeakPolarHBondContact O-CB 3.41Å; E622-K625 PolarHBondContact O-N 3.39Å; E622-K625 IonicContact OE1-NZ 2.63Å; E622-K625 PolarHBondContact OE1-NZ 3.36Å; E622-K625 IonicContact OE2-NZ 2.76Å; E622-K625 PolarHBondContact OE2-NZ 3.5Å |
| 623 | D | 92.3 | Very high | 90.6 | Very high | 37 Ų | 37 | 60.2 Ų | 60.2 | 20% | 0.198 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.7 | -37.2 | 177.1 | -79.5 | -51.8 | 0 | 0 | 0 | 112.8 | Y567 K587 A619 V620 K625 V626 L627 L630 | Y567-D623 WeakPolarHBondContact CE1-OD2 3.4Å; Y567-D623 PolarHBondContact OH-OD2 2.98Å; K587-D623 IonicContact NZ-OD1 2.83Å; K587-D623 PolarHBondContact NZ-OD1 3.49Å; K587-D623 IonicContact NZ-OD2 3.58Å; K587-D623 PolarHBondContact NZ-OD2 3.11Å; A619-D623 PolarHBondContact O-N 3.28Å; V620-D623 PolarHBondContact O-N 2.97Å; D623-K625 PolarHBondContact O-N 3.2Å; D623-V626 CarbonylContact O-C 3.58Å; D623-V626 PolarHBondContact O-N 3.39Å; D623-L627 WeakPolarHBondContact O-CB 3.32Å; D623-L627 PolarHBondContact O-N 2.89Å; D623-L630 HydrophobicContact CB-CD1 4.06Å |
| 624 | A | 91.6 | Very high | 90.5 | Very high | 4 Ų | 4 | 61.2 Ų | 61.2 | 3% | 0.033 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.5 | -18.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | V620 S621 E622 V626 L630 R631 L634 | V620-A624 VanDerWaalsContact O-CB 3.26Å; V620-A624 WeakPolarHBondContact O-CB 3.19Å; V620-A624 PolarHBondContact O-N 3.4Å; S621-A624 PolarHBondContact O-N 3.1Å; E622-A624 PolarHBondContact O-N 3.13Å; A624-V626 VanDerWaalsContact C-N 3.34Å; A624-L630 HydrophobicContact CB-CB 4.16Å; A624-R631 HydrophobicContact CB-CG 4.41Å; A624-L634 HydrophobicContact CB-CD2 3.89Å |
| 625 | K | 91.3 | Very high | 90.4 | Very high | 135 Ų | 135 | 60.3 Ų | 60.3 | 59% | 0.587 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -68.7 | -36.1 | 170.1 | -63.8 | 173.6 | -168.4 | 168.9 | 0 | 111.3 | S621 E622 D623 | S621-K625 PolarHBondContact O-N 3.17Å; E622-K625 WeakPolarHBondContact O-CB 3.41Å; E622-K625 PolarHBondContact O-N 3.39Å; E622-K625 IonicContact OE1-NZ 2.63Å; E622-K625 PolarHBondContact OE1-NZ 3.36Å; E622-K625 IonicContact OE2-NZ 2.76Å; E622-K625 PolarHBondContact OE2-NZ 3.5Å; D623-K625 PolarHBondContact O-N 3.2Å |
| 626 | V | 89.3 | Confident | 90.1 | Very high | 115 Ų | 115 | 57.7 Ų | 57.7 | 70% | 0.697 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -91.6 | -33.6 | -178.5 | -174.5 | 0 | 0 | 0 | 0 | 111.6 | D623 A624 P628 | D623-V626 CarbonylContact O-C 3.58Å; D623-V626 PolarHBondContact O-N 3.39Å; A624-V626 VanDerWaalsContact C-N 3.34Å; V626-P628 WeakPolarHBondContact O-CD 3.41Å |
| 627 | L | 87.3 | Confident | 89.7 | Confident | 29 Ų | 29 | 57.4 Ų | 57.4 | 15% | 0.152 | 31% | 0.31 | C | S | . | . | trans | -117.2 | 88.8 | -176.9 | -61.3 | 173.3 | 0 | 0 | 0 | 110.1 | L580 L584 D623 A629 L630 | L580-L627 HydrophobicContact CD1-CD2 4.1Å; L584-L627 HydrophobicContact CD1-CB 4.4Å; L584-L627 HydrophobicContact CD1-CD1 4.28Å; D623-L627 WeakPolarHBondContact O-CB 3.32Å; D623-L627 PolarHBondContact O-N 2.89Å; L627-A629 PolarHBondContact O-N 2.88Å; L627-L630 HydrophobicContact CB-CD1 4.19Å; L627-L630 HydrophobicContact CB-CG 4.3Å; L627-L630 HydrophobicContact CD1-CD1 4.2Å; L627-L630 PolarHBondContact O-N 3.03Å; L627-L630 VanDerWaalsContact O-N 3.14Å | ||
| 628 | P | 86.4 | Confident | 89.5 | Confident | 83 Ų | 83 | 60.1 Ų | 60.1 | 54% | 0.539 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -57 | -24.7 | -177.9 | -25.7 | 34.3 | 0 | 0 | 0 | 114.2 | V626 L630 R631 | V626-P628 WeakPolarHBondContact O-CD 3.41Å; P628-L630 PolarHBondContact O-N 2.87Å; P628-L630 VanDerWaalsContact O-N 3.12Å; P628-R631 WeakPolarHBondContact O-CB 3.4Å; P628-R631 WeakPolarHBondContact O-CG 3.4Å; P628-R631 PolarHBondContact O-N 3.14Å |
| 629 | A | 85.4 | Confident | 89.2 | Confident | 38 Ų | 38 | 63.5 Ų | 63.5 | 31% | 0.314 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -62.6 | -9.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L584 R588 L627 | L584-A629 HydrophobicContact CD1-CB 3.93Å; L584-A629 HydrophobicContact CD2-CB 3.85Å; L584-A629 HydrophobicContact CG-CB 4.48Å; R588-A629 PolarHBondContact NE-O 3.28Å; R588-A629 PolarHBondContact NH2-O 2.94Å; L627-A629 PolarHBondContact O-N 2.88Å |
| 630 | L | 89.3 | Confident | 88.6 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -98.4 | -9.3 | 177.1 | -62.9 | -179.3 | 0 | 0 | 0 | 114 | L584 R588 I591 D623 A624 L627 P628 D632 Q633 L634 | L584-L630 HydrophobicContact CD1-CD2 3.83Å; L584-L630 HydrophobicContact CD1-CG 4Å; R588-L630 HydrophobicContact CG-CD2 3.61Å; I591-L630 HydrophobicContact CD1-CD2 3.98Å; D623-L630 HydrophobicContact CB-CD1 4.06Å; A624-L630 HydrophobicContact CB-CB 4.16Å; L627-L630 HydrophobicContact CB-CD1 4.19Å; L627-L630 HydrophobicContact CB-CG 4.3Å; L627-L630 HydrophobicContact CD1-CD1 4.2Å; L627-L630 PolarHBondContact O-N 3.03Å; L627-L630 VanDerWaalsContact O-N 3.14Å; P628-L630 PolarHBondContact O-N 2.87Å; P628-L630 VanDerWaalsContact O-N 3.12Å; L630-D632 VanDerWaalsContact C-N 3.33Å; L630-D632 PolarHBondContact O-N 3.37Å; L630-Q633 PolarHBondContact O-N 3.13Å; L630-L634 PolarHBondContact O-N 3.31Å |
| 631 | R | 87.4 | Confident | 88 | Confident | 142 Ų | 142 | 64.8 Ų | 64.8 | 54% | 0.536 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.2 | -36.2 | -171.5 | -71.1 | -179.8 | -176.9 | -172 | 2.3 | 114.2 | A624 P628 L634 T635 | A624-R631 HydrophobicContact CB-CG 4.41Å; P628-R631 WeakPolarHBondContact O-CB 3.4Å; P628-R631 WeakPolarHBondContact O-CG 3.4Å; P628-R631 PolarHBondContact O-N 3.14Å; R631-L634 PolarHBondContact O-N 3.17Å; R631-T635 PolarHBondContact O-N 2.68Å; R631-T635 VanDerWaalsContact O-N 3.1Å; R631-T635 PolarHBondContact O-OG1 2.95Å |
| 632 | D | 86.1 | Confident | 87.5 | Confident | 133 Ų | 133 | 70 Ų | 70 | 71% | 0.711 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -65.3 | -47.2 | 178.8 | -62.8 | -23.7 | 0 | 0 | 0 | 110.9 | L630 L634 T635 E636 | L630-D632 VanDerWaalsContact C-N 3.33Å; L630-D632 PolarHBondContact O-N 3.37Å; D632-L634 VanDerWaalsContact C-N 3.34Å; D632-L634 PolarHBondContact O-N 3.38Å; D632-T635 PolarHBondContact O-N 2.65Å; D632-E636 PolarHBondContact O-N 3.13Å |
| 633 | Q | 85.7 | Confident | 86.7 | Confident | 28 Ų | 28 | 67.9 Ų | 67.9 | 13% | 0.131 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.6 | -33.8 | 177.3 | -65.2 | -174.5 | -63.1 | 0 | 0 | 112.6 | R588 I591 L630 T635 E636 L637 | R588-Q633 VanDerWaalsContact CG-OE1 3.31Å; R588-Q633 PolarHBondContact O-NE2 2.85Å; I591-Q633 HydrophobicContact CG2-CB 3.89Å; L630-Q633 PolarHBondContact O-N 3.13Å; Q633-T635 VanDerWaalsContact C-N 3.33Å; Q633-E636 PolarHBondContact O-N 2.78Å; Q633-L637 VanDerWaalsContact O-CB 3.28Å; Q633-L637 WeakPolarHBondContact O-CB 3.47Å; Q633-L637 PolarHBondContact O-N 3.38Å |
| 634 | L | 89.4 | Confident | 85.6 | Confident | 20 Ų | 20 | 66.7 Ų | 66.7 | 11% | 0.105 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.8 | -45.8 | 173.5 | 175.7 | 62.5 | 0 | 0 | 0 | 110.8 | L617 V620 S621 A624 L630 R631 D632 E636 L637 E638 | L617-L634 HydrophobicContact CD1-CD1 3.54Å; V620-L634 HydrophobicContact CB-CD1 4.45Å; V620-L634 HydrophobicContact CG1-CB 4.32Å; V620-L634 HydrophobicContact CG1-CD1 4.02Å; S621-L634 WeakPolarHBondContact OG-CD1 3.16Å; A624-L634 HydrophobicContact CB-CD2 3.89Å; L630-L634 PolarHBondContact O-N 3.31Å; R631-L634 PolarHBondContact O-N 3.17Å; D632-L634 VanDerWaalsContact C-N 3.34Å; D632-L634 PolarHBondContact O-N 3.38Å; L634-E636 VanDerWaalsContact C-N 3.31Å; L634-E636 PolarHBondContact O-N 2.79Å; L634-L637 PolarHBondContact O-N 3.48Å; L634-E638 HydrophobicContact CD1-CG 4.22Å; L634-E638 HydrophobicContact CG-CG 4.49Å; L634-E638 WeakPolarHBondContact O-CB 3.25Å; L634-E638 WeakPolarHBondContact O-CG 3.41Å; L634-E638 PolarHBondContact O-N 2.98Å |
| 635 | T | 88.7 | Confident | 84.5 | Confident | 91 Ų | 91 | 67.4 Ų | 67.4 | 56% | 0.558 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61.9 | -39.4 | -180 | -51 | 0 | 0 | 0 | 0 | 111.7 | R631 D632 Q633 K639 | R631-T635 PolarHBondContact O-N 2.68Å; R631-T635 VanDerWaalsContact O-N 3.1Å; R631-T635 PolarHBondContact O-OG1 2.95Å; D632-T635 PolarHBondContact O-N 2.65Å; Q633-T635 VanDerWaalsContact C-N 3.33Å; T635-K639 PolarHBondContact O-N 3.16Å |
| 636 | E | 86.4 | Confident | 83.2 | Confident | 73 Ų | 73 | 64.8 Ų | 64.8 | 34% | 0.341 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69.3 | -43.4 | 175.3 | -69.6 | -175.1 | 170.2 | 0 | 0 | 112.6 | F536 M595 D632 Q633 L634 K639 I640 | F536-E636 WeakPolarHBondContact CE1-OE2 3.29Å; F536-E636 VanDerWaalsContact CZ-OE1 3.3Å; F536-E636 WeakPolarHBondContact CZ-OE1 3.34Å; F536-E636 WeakPolarHBondContact CZ-OE2 3.43Å; M595-E636 HydrophobicContact SD-CB 3.81Å; D632-E636 PolarHBondContact O-N 3.13Å; Q633-E636 PolarHBondContact O-N 2.78Å; L634-E636 VanDerWaalsContact C-N 3.31Å; L634-E636 PolarHBondContact O-N 2.79Å; E636-K639 WeakPolarHBondContact O-CB 3.47Å; E636-K639 PolarHBondContact O-N 2.85Å; E636-K639 VanDerWaalsContact O-N 3.15Å; E636-I640 WeakPolarHBondContact O-CG1 3.39Å; E636-I640 PolarHBondContact O-N 2.97Å |
| 637 | L | 87.6 | Confident | 81.7 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.3 | -44.8 | 177 | -178.5 | 64.8 | 0 | 0 | 0 | 111.1 | V594 M595 F616 L617 V620 Q633 L634 K639 I640 I641 | V594-L637 HydrophobicContact CG1-CD1 4.43Å; M595-L637 HydrophobicContact CG-CB 4.24Å; M595-L637 HydrophobicContact CG-CD1 3.79Å; M595-L637 HydrophobicContact SD-CB 4.21Å; F616-L637 HydrophobicContact CD1-CD2 4.02Å; F616-L637 HydrophobicContact CE1-CD2 4.12Å; L617-L637 HydrophobicContact CD1-CD2 3.97Å; L617-L637 HydrophobicContact CD1-CG 4.12Å; V620-L637 HydrophobicContact CB-CD2 4.47Å; V620-L637 HydrophobicContact CG2-CD2 4.23Å; Q633-L637 VanDerWaalsContact O-CB 3.28Å; Q633-L637 WeakPolarHBondContact O-CB 3.47Å; Q633-L637 PolarHBondContact O-N 3.38Å; L634-L637 PolarHBondContact O-N 3.48Å; L637-K639 VanDerWaalsContact C-N 3.27Å; L637-K639 PolarHBondContact O-N 2.97Å; L637-I640 PolarHBondContact O-N 3.32Å; L637-I641 HydrophobicContact CD1-CD1 3.86Å; L637-I641 HydrophobicContact CD1-CG1 4.24Å; L637-I641 HydrophobicContact CD2-CD1 4.47Å; L637-I641 HydrophobicContact CG-CD1 3.79Å; L637-I641 HydrophobicContact CG-CG1 4.47Å; L637-I641 WeakPolarHBondContact O-CB 3.48Å; L637-I641 WeakPolarHBondContact O-CG1 3.38Å; L637-I641 PolarHBondContact O-N 3.37Å |
| 638 | E | 87.9 | Confident | 80.2 | Confident | 89 Ų | 89 | 63 Ų | 63 | 42% | 0.416 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -56.7 | -42.1 | 173.2 | -76.5 | -179.9 | 178.5 | 0 | 0 | 111.5 | L617 L634 K642 | L617-E638 HydrophobicContact CD1-CG 3.72Å; L617-E638 HydrophobicContact CD2-CG 4.35Å; L634-E638 HydrophobicContact CD1-CG 4.22Å; L634-E638 HydrophobicContact CG-CG 4.49Å; L634-E638 WeakPolarHBondContact O-CB 3.25Å; L634-E638 WeakPolarHBondContact O-CG 3.41Å; L634-E638 PolarHBondContact O-N 2.98Å; E638-K642 WeakPolarHBondContact O-CB 3.45Å; E638-K642 PolarHBondContact O-N 3.18Å |
| 639 | K | 86.9 | Confident | 78.6 | Confident | 162 Ų | 162 | 66.3 Ų | 66.3 | 70% | 0.704 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64.1 | -44.3 | 178.4 | -172.7 | -177.5 | 177.5 | -174.7 | 0 | 111.9 | T635 E636 L637 S643 | T635-K639 PolarHBondContact O-N 3.16Å; E636-K639 WeakPolarHBondContact O-CB 3.47Å; E636-K639 PolarHBondContact O-N 2.85Å; E636-K639 VanDerWaalsContact O-N 3.15Å; L637-K639 VanDerWaalsContact C-N 3.27Å; L637-K639 PolarHBondContact O-N 2.97Å; K639-S643 PolarHBondContact O-N 2.89Å; K639-S643 PolarHBondContact O-OG 3.31Å |
| 640 | I | 82 | Confident | 77 | Confident | 39 Ų | 39 | 67.6 Ų | 67.6 | 20% | 0.2 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.5 | -43.4 | 179.4 | -66.6 | 168.1 | 0 | 0 | 0 | 111.1 | M595 A598 E636 L637 S643 S644 | M595-I640 HydrophobicContact CB-CD1 3.81Å; M595-I640 HydrophobicContact CG-CD1 3.97Å; M595-I640 HydrophobicContact SD-CD1 4.25Å; A598-I640 HydrophobicContact CB-CG2 3.81Å; E636-I640 WeakPolarHBondContact O-CG1 3.39Å; E636-I640 PolarHBondContact O-N 2.97Å; L637-I640 PolarHBondContact O-N 3.32Å; I640-S643 PolarHBondContact O-N 3.4Å; I640-S643 PolarHBondContact O-OG 3.09Å; I640-S644 WeakPolarHBondContact O-CB 3.27Å; I640-S644 PolarHBondContact O-N 3.32Å; I640-S644 PolarHBondContact O-OG 2.71Å |
| 641 | I | 82.1 | Confident | 75 | Confident | 11 Ų | 11 | 69 Ų | 69 | 6% | 0.056 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.6 | -41.6 | 178.6 | -66.9 | 172.5 | 0 | 0 | 0 | 109.9 | L613 L617 L637 S644 A645 | L613-I641 HydrophobicContact CB-CD1 4.11Å; L613-I641 HydrophobicContact CB-CG1 4.24Å; L613-I641 HydrophobicContact CD2-CD1 4.34Å; L613-I641 HydrophobicContact CD2-CG1 4.32Å; L613-I641 WeakPolarHBondContact O-CD1 3.41Å; L617-I641 HydrophobicContact CB-CD1 3.76Å; L617-I641 HydrophobicContact CD1-CD1 4.27Å; L617-I641 HydrophobicContact CD2-CD1 4.02Å; L617-I641 HydrophobicContact CG-CD1 4.23Å; L637-I641 HydrophobicContact CD1-CD1 3.86Å; L637-I641 HydrophobicContact CD1-CG1 4.24Å; L637-I641 HydrophobicContact CD2-CD1 4.47Å; L637-I641 HydrophobicContact CG-CD1 3.79Å; L637-I641 HydrophobicContact CG-CG1 4.47Å; L637-I641 WeakPolarHBondContact O-CB 3.48Å; L637-I641 WeakPolarHBondContact O-CG1 3.38Å; L637-I641 PolarHBondContact O-N 3.37Å; I641-S644 PolarHBondContact O-N 3Å; I641-A645 VanDerWaalsContact O-CB 3.23Å; I641-A645 WeakPolarHBondContact O-CB 3.2Å; I641-A645 PolarHBondContact O-N 2.88Å |
| 642 | K | 81.7 | Confident | 72.9 | Confident | 140 Ų | 140 | 68.9 Ų | 68.9 | 61% | 0.609 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63.9 | -43.2 | 177.1 | -172.5 | 175.8 | -179.2 | 179.6 | 0 | 112 | E638 A645 D646 | E638-K642 WeakPolarHBondContact O-CB 3.45Å; E638-K642 PolarHBondContact O-N 3.18Å; K642-A645 PolarHBondContact O-N 2.76Å; K642-D646 WeakPolarHBondContact O-CB 3.34Å; K642-D646 PolarHBondContact O-N 3.39Å |
| 643 | S | 75.2 | Confident | 70.8 | Confident | 57 Ų | 57 | 73 Ų | 73 | 40% | 0.399 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.5 | -44.3 | 174.3 | 60.4 | 0 | 0 | 0 | 0 | 111.3 | K639 I640 A645 D646 D647 | K639-S643 PolarHBondContact O-N 2.89Å; K639-S643 PolarHBondContact O-OG 3.31Å; I640-S643 PolarHBondContact O-N 3.4Å; I640-S643 PolarHBondContact O-OG 3.09Å; S643-A645 VanDerWaalsContact C-N 3.33Å; S643-A645 PolarHBondContact O-N 2.89Å; S643-D646 PolarHBondContact O-N 2.88Å; S643-D647 WeakPolarHBondContact O-CB 3.39Å; S643-D647 PolarHBondContact O-N 3.15Å |
| 644 | S | 70.1 | Confident | 68.9 | Low | 11 Ų | 11 | 78.3 Ų | 78.3 | 8% | 0.077 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.5 | -37.2 | 178.7 | -53 | 0 | 0 | 0 | 0 | 112.4 | I640 I641 A648 | I640-S644 WeakPolarHBondContact O-CB 3.27Å; I640-S644 PolarHBondContact O-N 3.32Å; I640-S644 PolarHBondContact O-OG 2.71Å; I641-S644 PolarHBondContact O-N 3Å; S644-A648 WeakPolarHBondContact O-CB 2.81Å; S644-A648 PolarHBondContact O-N 2.96Å |
| 645 | A | 67.8 | Low | 67.1 | Low | 20 Ų | 20 | 83.8 Ų | 83.8 | 17% | 0.165 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -73.7 | -38.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | M610 I641 K642 S643 D647 A648 R649 | M610-A645 HydrophobicContact CE-CB 4.06Å; I641-A645 VanDerWaalsContact O-CB 3.23Å; I641-A645 WeakPolarHBondContact O-CB 3.2Å; I641-A645 PolarHBondContact O-N 2.88Å; K642-A645 PolarHBondContact O-N 2.76Å; S643-A645 VanDerWaalsContact C-N 3.33Å; S643-A645 PolarHBondContact O-N 2.89Å; A645-D647 VanDerWaalsContact C-N 3.34Å; A645-A648 PolarHBondContact O-N 3.06Å; A645-R649 VanDerWaalsContact O-CB 3.31Å; A645-R649 WeakPolarHBondContact O-CB 3.39Å; A645-R649 VanDerWaalsContact O-CG 3.22Å; A645-R649 WeakPolarHBondContact O-CG 3.34Å; A645-R649 PolarHBondContact O-N 3.38Å |
| 646 | D | 64 | Low | 65.8 | Low | 80 Ų | 80 | 81 Ų | 81 | 43% | 0.428 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67.7 | -36.2 | 173.6 | -77.9 | -20.7 | 0 | 0 | 0 | 110.9 | K642 S643 R649 S650 | K642-D646 WeakPolarHBondContact O-CB 3.34Å; K642-D646 PolarHBondContact O-N 3.39Å; S643-D646 PolarHBondContact O-N 2.88Å; D646-R649 PolarHBondContact O-N 2.73Å; D646-S650 VanDerWaalsContact O-CB 3.26Å; D646-S650 WeakPolarHBondContact O-CB 3.41Å; D646-S650 PolarHBondContact O-N 2.7Å; D646-S650 PolarHBondContact O-OG 3.26Å |
| 647 | D | 58.8 | Low | 64.5 | Low | 63 Ų | 63 | 79.5 Ų | 79.5 | 34% | 0.337 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.5 | -43.6 | 172 | -70.8 | -23.1 | 0 | 0 | 0 | 111.3 | E603 S643 A645 R649 S650 S651 | E603-D647 HydrophobicContact CG-CB 4.36Å; S643-D647 WeakPolarHBondContact O-CB 3.39Å; S643-D647 PolarHBondContact O-N 3.15Å; A645-D647 VanDerWaalsContact C-N 3.34Å; D647-R649 PolarHBondContact O-N 3.44Å; D647-S650 PolarHBondContact O-N 3.12Å; D647-S650 PolarHBondContact O-OG 3.22Å; D647-S651 WeakPolarHBondContact O-CB 3.34Å; D647-S651 PolarHBondContact O-N 2.73Å; D647-S651 PolarHBondContact O-OG 2.92Å |
| 648 | A | 55.2 | Low | 63.8 | Low | 42 Ų | 42 | 79.7 Ų | 79.7 | 35% | 0.347 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S644 A645 S651 Q652 | S644-A648 WeakPolarHBondContact O-CB 2.81Å; S644-A648 PolarHBondContact O-N 2.96Å; A645-A648 PolarHBondContact O-N 3.06Å; A648-S651 WeakPolarHBondContact O-CB 3.46Å; A648-S651 PolarHBondContact O-N 2.9Å; A648-Q652 WeakPolarHBondContact O-CG 3.23Å; A648-Q652 PolarHBondContact O-N 2.81Å |
| 649 | R | 53.4 | Low | 62.7 | Low | 154 Ų | 154 | 78.8 Ų | 78.8 | 58% | 0.581 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -72.2 | -35.8 | 178.4 | -74.8 | 174.3 | 179.6 | -174.8 | 2.2 | 113.1 | A645 D646 D647 S651 R653 | A645-R649 VanDerWaalsContact O-CB 3.31Å; A645-R649 WeakPolarHBondContact O-CB 3.39Å; A645-R649 VanDerWaalsContact O-CG 3.22Å; A645-R649 WeakPolarHBondContact O-CG 3.34Å; A645-R649 PolarHBondContact O-N 3.38Å; D646-R649 PolarHBondContact O-N 2.73Å; D647-R649 PolarHBondContact O-N 3.44Å; R649-S651 VanDerWaalsContact C-N 3.29Å; R649-R653 WeakPolarHBondContact O-CG 3.28Å; R649-R653 PolarHBondContact O-N 2.76Å |
| 650 | S | 50.6 | Low | 61.3 | Low | 64 Ų | 64 | 72.8 Ų | 72.8 | 45% | 0.448 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -68.4 | -32 | 174.1 | 70.5 | 0 | 0 | 0 | 0 | 111.7 | D646 D647 R653 | D646-S650 VanDerWaalsContact O-CB 3.26Å; D646-S650 WeakPolarHBondContact O-CB 3.41Å; D646-S650 PolarHBondContact O-N 2.7Å; D646-S650 PolarHBondContact O-OG 3.26Å; D647-S650 PolarHBondContact O-N 3.12Å; D647-S650 PolarHBondContact O-OG 3.22Å; S650-R653 PolarHBondContact O-N 2.7Å |
| 651 | S | 47.4 | Very low | 60.3 | Low | 29 Ų | 29 | 75.8 Ų | 75.8 | 20% | 0.203 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -67.8 | -46.6 | 173.2 | -54.3 | 0 | 0 | 0 | 0 | 111.9 | D647 A648 R649 R653 K654 K676 | D647-S651 WeakPolarHBondContact O-CB 3.34Å; D647-S651 PolarHBondContact O-N 2.73Å; D647-S651 PolarHBondContact O-OG 2.92Å; A648-S651 WeakPolarHBondContact O-CB 3.46Å; A648-S651 PolarHBondContact O-N 2.9Å; R649-S651 VanDerWaalsContact C-N 3.29Å; S651-R653 PolarHBondContact O-N 3.27Å; S651-K654 CarbonylContact O-C 3.56Å; S651-K654 PolarHBondContact O-N 3.16Å; S651-K654 VanDerWaalsContact O-N 3.16Å; S651-K676 PolarHBondContact OG-NZ 3.48Å |
| 652 | Q | 44.9 | Very low | 59.2 | Low | 140 Ų | 140 | 75.7 Ų | 75.7 | 65% | 0.654 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -63.2 | -26.9 | 175.5 | -74.7 | -178 | -16.1 | 0 | 0 | 113.8 | A648 K654 | A648-Q652 WeakPolarHBondContact O-CG 3.23Å; A648-Q652 PolarHBondContact O-N 2.81Å; Q652-K654 VanDerWaalsContact C-N 3.34Å |
| 653 | R | 41.8 | Very low | 58 | Low | 221 Ų | 221 | 72.2 Ų | 72.2 | 83% | 0.834 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -9 | 178.2 | -74.5 | -178.7 | -178.6 | -174.8 | 1.6 | 114.1 | R649 S650 S651 | R649-R653 WeakPolarHBondContact O-CG 3.28Å; R649-R653 PolarHBondContact O-N 2.76Å; S650-R653 PolarHBondContact O-N 2.7Å; S651-R653 PolarHBondContact O-N 3.27Å |
| 654 | K | 45.5 | Very low | 56.6 | Low | 138 Ų | 138 | 73.6 Ų | 73.6 | 60% | 0.6 | 36% | 0.359 | S | S | * | . | trans | -130.6 | 73.4 | 177.3 | -67.8 | -175.1 | -179.5 | -178.8 | 0 | 109.7 | S651 Q652 K656 | S651-K654 CarbonylContact O-C 3.56Å; S651-K654 PolarHBondContact O-N 3.16Å; S651-K654 VanDerWaalsContact O-N 3.16Å; Q652-K654 VanDerWaalsContact C-N 3.34Å; K654-K656 PolarHBondContact O-N 3.3Å | ||
| 655 | H | 51 | Low | 55.1 | Low | 135 Ų | 135 | 77.4 Ų | 77.4 | 63% | 0.625 | 38% | 0.382 | S | S | * | . | trans | -57.7 | 102.7 | 164.9 | -79.3 | -88.3 | 0 | 0 | 0 | 108.6 | ||||
| 656 | K | 61.1 | Low | 53.9 | Low | 32 Ų | 32 | 82.5 Ų | 82.5 | 14% | 0.139 | 41% | 0.407 | C | S | . | . | trans | -82.7 | 122.6 | 179.1 | -70.2 | 175.7 | -175.2 | 169.8 | 0 | 108.1 | K654 M664 Q673 E680 | K654-K656 PolarHBondContact O-N 3.3Å; K656-M664 HydrophobicContact CD-CE 4.36Å; K656-M664 HydrophobicContact CG-CE 4.31Å; K656-Q673 VanDerWaalsContact CE-OE1 3.29Å; K656-E680 PolarHBondContact O-N 3.02Å; K656-E680 VanDerWaalsContact O-O 3.09Å | ||
| 657 | V | 60.4 | Low | 52.9 | Low | 43 Ų | 43 | 84.5 Ų | 84.5 | 26% | 0.261 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 110.7 | 171.4 | -177.3 | 0 | 0 | 0 | 0 | 107.9 | E680 L682 | V657-E680 WeakPolarHBondContact CA-O 3.41Å; V657-L682 HydrophobicContact CG1-CB 4.43Å; V657-L682 HydrophobicContact CG1-CD1 3.49Å; V657-L682 VanDerWaalsContact CG1-CD1 3.49Å; V657-L682 HydrophobicContact CG1-CG 3.49Å; V657-L682 VanDerWaalsContact CG1-CG 3.49Å |
| 658 | L | 71.1 | Confident | 52.3 | Low | 4 Ų | 4 | 90 Ų | 90 | 2% | 0.021 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 144.9 | 177.1 | -57.9 | 172.6 | 0 | 0 | 0 | 110 | F662 M664 I675 D679 E680 I681 L682 V699 | L658-F662 HydrophobicContact CD1-CD1 3.99Å; L658-M664 HydrophobicContact CD2-CG 4.33Å; L658-I675 HydrophobicContact CD1-CD1 4.3Å; L658-I675 HydrophobicContact CD1-CG1 4.32Å; L658-I675 HydrophobicContact CD1-CG2 3.56Å; L658-D679 HydrophobicContact CD1-CB 4.38Å; L658-E680 PolarHBondContact N-O 3.38Å; L658-I681 HydrophobicContact CB-CB 4.34Å; L658-I681 HydrophobicContact CB-CD1 4.48Å; L658-I681 HydrophobicContact CB-CG1 4.08Å; L658-L682 PolarHBondContact O-N 3.32Å; L658-V699 HydrophobicContact CD1-CG2 3.82Å |
| 659 | L | 65.3 | Low | 52.2 | Low | 70 Ų | 70 | 94.3 Ų | 94.3 | 37% | 0.366 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 153.4 | 172.2 | -65.3 | 175 | 0 | 0 | 0 | 110.9 | H661 F662 N663 V665 L682 | L659-H661 CarbonylContact O-C 3.54Å; L659-H661 PolarHBondContact O-N 3.38Å; L659-F662 WeakPolarHBondContact O-CA 3.45Å; L659-F662 PolarHBondContact O-N 3.29Å; L659-N663 PolarHBondContact N-O 2.88Å; L659-N663 PolarHBondContact O-N 3.3Å; L659-V665 HydrophobicContact CD1-CG2 3.98Å; L659-V665 HydrophobicContact CD2-CG2 4.16Å; L659-V665 HydrophobicContact CG-CG2 3.88Å; L659-L682 HydrophobicContact CD2-CB 4.26Å; L659-L682 HydrophobicContact CD2-CD1 4.18Å |
| 660 | Q | 58.2 | Low | 52.5 | Low | 35 Ų | 35 | 90.8 Ų | 90.8 | 16% | 0.164 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -4.9 | -36.5 | 169.5 | -164.9 | 172.7 | 3.5 | 0 | 0 | 120 | L682 Y686 | Q660-L682 PolarHBondContact N-O 3.03Å; Q660-Y686 PolarHBondContact NE2-OH 3.49Å |
| 661 | H | 60.2 | Low | 53.3 | Low | 102 Ų | 102 | 94.8 Ų | 94.8 | 47% | 0.472 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | 26.9 | 177.5 | -59.4 | 94.3 | 0 | 0 | 0 | 113.3 | L659 N663 | L659-H661 CarbonylContact O-C 3.54Å; L659-H661 PolarHBondContact O-N 3.38Å; H661-N663 PolarHBondContact O-N 2.95Å; H661-N663 VanDerWaalsContact O-N 3.13Å |
| 662 | F | 60.2 | Low | 54.7 | Low | 9 Ų | 9 | 96 Ų | 96 | 4% | 0.039 | 45% | 0.45 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | 34 | -171.1 | -62.4 | -89.3 | 0 | 0 | 0 | 113.4 | L658 L659 R672 I675 I681 V699 F742 V822 L826 | L658-F662 HydrophobicContact CD1-CD1 3.99Å; L659-F662 WeakPolarHBondContact O-CA 3.45Å; L659-F662 PolarHBondContact O-N 3.29Å; F662-R672 PolarHBondContact O-NH1 2.99Å; F662-I675 HydrophobicContact CB-CD1 4.1Å; F662-I675 HydrophobicContact CD1-CD1 3.95Å; F662-I675 HydrophobicContact CG-CD1 4.4Å; F662-I681 HydrophobicContact CD1-CD1 4.03Å; F662-I681 HydrophobicContact CE1-CD1 3.65Å; F662-I681 HydrophobicContact CZ-CD1 3.95Å; F662-V699 HydrophobicContact CE1-CG1 4.5Å; F662-F742 HydrophobicContact CE2-CB 4.3Å; F662-F742 HydrophobicContact CZ-CB 3.64Å; F662-V822 HydrophobicContact CD1-CG2 3.95Å; F662-V822 HydrophobicContact CE1-CG2 3.51Å; F662-V822 HydrophobicContact CZ-CG2 3.95Å; F662-L826 HydrophobicContact CB-CD1 3.92Å; F662-L826 HydrophobicContact CB-CD2 4.31Å; F662-L826 HydrophobicContact CD1-CD1 4.45Å; F662-L826 HydrophobicContact CD2-CD1 4.45Å; F662-L826 HydrophobicContact CD2-CD2 3.71Å; F662-L826 HydrophobicContact CE2-CD2 4.23Å; F662-L826 HydrophobicContact CG-CD1 4.04Å; F662-L826 HydrophobicContact CG-CD2 4.12Å |
| 663 | N | 55.6 | Low | 56.5 | Low | 67 Ų | 67 | 93.4 Ų | 93.4 | 36% | 0.358 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 145.4 | 176.1 | -71.4 | -26.3 | 0 | 0 | 0 | 110 | L659 H661 R672 | L659-N663 PolarHBondContact N-O 2.88Å; L659-N663 PolarHBondContact O-N 3.3Å; H661-N663 PolarHBondContact O-N 2.95Å; H661-N663 VanDerWaalsContact O-N 3.13Å; N663-R672 PolarHBondContact OD1-NH2 3.37Å |
| 664 | M | 46.1 | Very low | 58.6 | Low | 86 Ų | 86 | 85.4 Ų | 85.4 | 42% | 0.424 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 146.5 | 178.9 | -65.1 | -177.7 | 66.4 | 0 | 0 | 111.1 | K656 L658 D666 | K656-M664 HydrophobicContact CD-CE 4.36Å; K656-M664 HydrophobicContact CG-CE 4.31Å; L658-M664 HydrophobicContact CD2-CG 4.33Å; M664-D666 PolarHBondContact O-N 2.84Å |
| 665 | V | 39.4 | Very low | 60.6 | Low | 91 Ų | 91 | 79.5 Ų | 79.5 | 55% | 0.552 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -61.8 | -28.7 | -175.1 | 175.6 | 0 | 0 | 0 | 0 | 113 | L659 | L659-V665 HydrophobicContact CD1-CG2 3.98Å; L659-V665 HydrophobicContact CD2-CG2 4.16Å; L659-V665 HydrophobicContact CG-CG2 3.88Å |
| 666 | D | 40.8 | Very low | 62.2 | Low | 128 Ų | 128 | 74.7 Ų | 74.7 | 68% | 0.684 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -130.6 | 142.4 | 179.4 | -91.8 | -46.6 | 0 | 0 | 0 | 110.5 | M664 | M664-D666 PolarHBondContact O-N 2.84Š|
| 667 | E | 43.3 | Very low | 63.3 | Low | 122 Ų | 122 | 74 Ų | 74 | 57% | 0.57 | 37% | 0.369 | S | S | * | . | trans | 90.5 | 88 | 174.4 | -54.7 | -162.2 | -156.7 | 0 | 0 | 117.7 | L669 Q670 | E667-L669 PolarHBondContact O-N 2.87Å; E667-Q670 HydrophobicContact CB-CB 4.02Å; E667-Q670 HydrophobicContact CB-CG 4.32Å; E667-Q670 PolarHBondContact OE1-NE2 2.86Å; E667-Q670 WeakPolarHBondContact OE2-CG 3.36Å; E667-Q670 PolarHBondContact OE2-NE2 2.81Å | ||
| 668 | K | 47.3 | Very low | 64.5 | Low | 179 Ų | 179 | 76.9 Ų | 76.9 | 78% | 0.778 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 13.9 | 165.4 | -65.3 | -177.7 | 177.3 | -179.5 | 0 | 114.5 | W995 | K668-W995 WeakPolarHBondContact O-CH2 3.46Å; K668-W995 WeakPolarHBondContact O-CZ3 3.44Å |
| 669 | L | 52.3 | Low | 65.2 | Low | 132 Ų | 132 | 77.4 Ų | 77.4 | 69% | 0.691 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -146.4 | 3.2 | -170.9 | -73.1 | 168.3 | 0 | 0 | 0 | 114.8 | E667 W995 | E667-L669 PolarHBondContact O-N 2.87Å; L669-W995 HydrophobicContact CD2-CE3 4.3Å; L669-W995 HydrophobicContact CD2-CH2 4.38Å; L669-W995 HydrophobicContact CD2-CZ3 4.13Å |
| 670 | Q | 59.9 | Low | 66.3 | Low | 79 Ų | 79 | 76 Ų | 76 | 37% | 0.369 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -85.7 | 143.3 | -175.6 | -117.3 | 175.9 | 36.9 | 0 | 0 | 113.3 | E667 | E667-Q670 HydrophobicContact CB-CB 4.02Å; E667-Q670 HydrophobicContact CB-CG 4.32Å; E667-Q670 PolarHBondContact OE1-NE2 2.86Å; E667-Q670 WeakPolarHBondContact OE2-CG 3.36Å; E667-Q670 PolarHBondContact OE2-NE2 2.81Å |
| 671 | K | 68.2 | Low | 67.7 | Low | 148 Ų | 148 | 74.3 Ų | 74.3 | 64% | 0.643 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 135.1 | 171.5 | -175 | 178.5 | -177.5 | -177.9 | 0 | 109.6 | Q673 E797 | K671-Q673 PolarHBondContact O-N 2.7Å; K671-E797 HydrophobicContact CG-CG 3.99Å |
| 672 | R | 76.6 | Confident | 69.1 | Low | 56 Ų | 56 | 72 Ų | 72 | 21% | 0.211 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 140.4 | 175.7 | -69.9 | -78.5 | -171.9 | 167 | -4.3 | 110.5 | F662 N663 Y794 E797 L798 | F662-R672 PolarHBondContact O-NH1 2.99Å; N663-R672 PolarHBondContact OD1-NH2 3.37Å; R672-Y794 HydrophobicContact CG-CE2 3.86Å; R672-Y794 PolarHBondContact NH2-OH 2.84Å; R672-E797 HydrophobicContact CB-CB 4.06Å; R672-E797 HydrophobicContact CG-CB 4.44Å; R672-E797 PolarHBondContact N-OE2 2.95Å; R672-L798 HydrophobicContact CG-CD2 4.32Å |
| 673 | Q | 81.3 | Confident | 70.6 | Confident | 84 Ų | 84 | 72 Ų | 72 | 39% | 0.393 | 36% | 0.361 | S | S | . | . | trans | -115 | 153.9 | 172.2 | -64.8 | -172.2 | -4.9 | 0 | 0 | 109.4 | K656 K671 I675 | K656-Q673 VanDerWaalsContact CE-OE1 3.29Å; K671-Q673 PolarHBondContact O-N 2.7Å; Q673-I675 PolarHBondContact O-N 2.85Å | ||
| 674 | P | 86.8 | Confident | 72.4 | Confident | 54 Ų | 54 | 71.1 Ų | 71.1 | 35% | 0.351 | 35% | 0.354 | S | S | . | . | trans | -56.1 | 134.9 | 175 | -21.9 | 31.6 | 0 | 0 | 0 | 111.3 | C801 | P674-C801 HydrophobicContact CB-CB 4.48Å; P674-C801 HydrophobicContact CG-CB 4.48Å | ||
| 675 | I | 87.9 | Confident | 74.7 | Confident | 14 Ų | 14 | 67.1 Ų | 67.1 | 7% | 0.072 | 33% | 0.334 | C | S | . | . | trans | -90.3 | 133.5 | 172.6 | -58.6 | 168.6 | 0 | 0 | 0 | 107.9 | L658 F662 Q673 D679 V699 V822 N823 L826 | L658-I675 HydrophobicContact CD1-CD1 4.3Å; L658-I675 HydrophobicContact CD1-CG1 4.32Å; L658-I675 HydrophobicContact CD1-CG2 3.56Å; F662-I675 HydrophobicContact CB-CD1 4.1Å; F662-I675 HydrophobicContact CD1-CD1 3.95Å; F662-I675 HydrophobicContact CG-CD1 4.4Å; Q673-I675 PolarHBondContact O-N 2.85Å; I675-D679 HydrophobicContact CG2-CB 4.48Å; I675-V699 HydrophobicContact CG2-CG1 4.35Å; I675-V699 HydrophobicContact CG2-CG2 4.17Å; I675-V822 HydrophobicContact CB-CG1 3.74Å; I675-V822 HydrophobicContact CD1-CG2 4.21Å; I675-V822 HydrophobicContact CG2-CG1 3.65Å; I675-V822 HydrophobicContact CG2-CG2 4.29Å; I675-N823 PolarHBondContact N-OD1 3.05Å; I675-N823 PolarHBondContact O-ND2 2.9Å; I675-L826 HydrophobicContact CD1-CD1 3.55Å | ||
| 676 | K | 84.9 | Confident | 77.3 | Confident | 33 Ų | 33 | 63.1 Ų | 63.1 | 14% | 0.143 | 31% | 0.309 | C | S | . | . | trans | -105.5 | 162.5 | -178.4 | -54.2 | -171.4 | -179.5 | -162.9 | 0 | 111.2 | E603 S651 D678 D679 | E603-K676 WeakPolarHBondContact OE2-CE 3.33Å; E603-K676 IonicContact OE2-NZ 3.12Å; E603-K676 PolarHBondContact OE2-NZ 3.16Å; S651-K676 PolarHBondContact OG-NZ 3.48Å; K676-D678 VanDerWaalsContact C-N 3.3Å; K676-D678 WeakPolarHBondContact CB-OD1 3.46Å; K676-D678 PolarHBondContact O-N 3.33Å; K676-D679 PolarHBondContact N-OD2 3.19Å; K676-D679 WeakPolarHBondContact O-CB 3.28Å; K676-D679 PolarHBondContact O-N 2.95Å | ||
| 677 | G | 84.4 | Confident | 79.7 | Confident | 19 Ų | 19 | 58.1 Ų | 58.1 | 20% | 0.196 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -27.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | V699 A700 | G677-V699 PolarHBondContact O-N 2.9Å; G677-A700 WeakPolarHBondContact O-CB 3.47Å; G677-A700 PolarHBondContact O-N 3.33Å |
| 678 | D | 84.5 | Confident | 81.9 | Confident | 103 Ų | 103 | 54.2 Ų | 54.2 | 55% | 0.551 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -8.4 | 177.8 | 59.9 | -36.5 | 0 | 0 | 0 | 113.6 | K676 | K676-D678 VanDerWaalsContact C-N 3.3Å; K676-D678 WeakPolarHBondContact CB-OD1 3.46Å; K676-D678 PolarHBondContact O-N 3.33Å |
| 679 | D | 85.9 | Confident | 84 | Confident | 14 Ų | 14 | 51 Ų | 51 | 8% | 0.075 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -59.7 | 142.6 | 168.5 | -72.4 | -26.5 | 0 | 0 | 0 | 109.4 | L658 I675 K676 P698 V699 | L658-D679 HydrophobicContact CD1-CB 4.38Å; I675-D679 HydrophobicContact CG2-CB 4.48Å; K676-D679 PolarHBondContact N-OD2 3.19Å; K676-D679 WeakPolarHBondContact O-CB 3.28Å; K676-D679 PolarHBondContact O-N 2.95Å; D679-P698 CarbonylContact O-C 3.58Å; D679-P698 WeakPolarHBondContact O-CA 3.34Å; D679-V699 HydrophobicContact CB-CG2 4.25Å; D679-V699 WeakPolarHBondContact O-CG2 3.36Å; D679-V699 PolarHBondContact O-N 3.41Å |
| 680 | E | 87.6 | Confident | 85.9 | Confident | 40 Ų | 40 | 48.2 Ų | 48.2 | 19% | 0.187 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 140.9 | 180 | -69 | -177.5 | 122.9 | 0 | 0 | 111 | K656 V657 L658 R696 V697 | K656-E680 PolarHBondContact O-N 3.02Å; K656-E680 VanDerWaalsContact O-O 3.09Å; V657-E680 WeakPolarHBondContact CA-O 3.41Å; L658-E680 PolarHBondContact N-O 3.38Å; E680-R696 HydrophobicContact CB-CG 4.43Å; E680-R696 IonicContact OE1-CZ 3.88Å; E680-R696 IonicContact OE1-NE 2.7Å; E680-R696 PolarHBondContact OE1-NE 3.25Å; E680-R696 VanDerWaalsContact OE1-NE 3.11Å; E680-R696 IonicContact OE1-NH2 2.64Å; E680-R696 IonicContact OE2-CZ 2.59Å; E680-R696 IonicContact OE2-NE 3.25Å; E680-R696 PolarHBondContact OE2-NE 2.91Å; E680-R696 IonicContact OE2-NH2 3.3Å; E680-R696 PolarHBondContact OE2-NH2 3.22Å; E680-V697 WeakPolarHBondContact CA-O 3.34Å |
| 681 | I | 87.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 132 | 176.4 | -169.1 | 163.9 | 0 | 0 | 0 | 110.9 | L658 F662 F683 R696 V697 V699 F742 | L658-I681 HydrophobicContact CB-CB 4.34Å; L658-I681 HydrophobicContact CB-CD1 4.48Å; L658-I681 HydrophobicContact CB-CG1 4.08Å; F662-I681 HydrophobicContact CD1-CD1 4.03Å; F662-I681 HydrophobicContact CE1-CD1 3.65Å; F662-I681 HydrophobicContact CZ-CD1 3.95Å; I681-F683 HydrophobicContact CD1-CD2 3.72Å; I681-F683 HydrophobicContact CD1-CE2 4.44Å; I681-F683 HydrophobicContact CG1-CB 4.31Å; I681-F683 HydrophobicContact CG1-CD2 4.17Å; I681-F683 HydrophobicContact CG2-CB 4.49Å; I681-R696 WeakPolarHBondContact O-CA 3.4Å; I681-V697 HydrophobicContact CG2-CG2 4.17Å; I681-V697 WeakPolarHBondContact CG2-O 3.29Å; I681-V697 PolarHBondContact N-O 2.92Å; I681-V697 PolarHBondContact O-N 3.37Å; I681-V699 HydrophobicContact CB-CG2 4.19Å; I681-V699 HydrophobicContact CG2-CG2 4.4Å; I681-F742 HydrophobicContact CD1-CB 4.37Å; I681-F742 HydrophobicContact CD1-CG 4.47Å; I681-F742 HydrophobicContact CG2-CD2 3.99Å; I681-F742 HydrophobicContact CG2-CE2 3.82Å; I681-F742 HydrophobicContact CG2-CG 4.47Å; I681-F742 HydrophobicContact CG2-CZ 4.18Å |
| 682 | L | 90 | Very high | 88.7 | Confident | 55 Ų | 55 | 46.6 Ų | 46.6 | 29% | 0.288 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 102.9 | 163.1 | -67.8 | 176.4 | 0 | 0 | 0 | 108.4 | V657 L658 L659 Q660 T694 I695 R696 | V657-L682 HydrophobicContact CG1-CB 4.43Å; V657-L682 HydrophobicContact CG1-CD1 3.49Å; V657-L682 VanDerWaalsContact CG1-CD1 3.49Å; V657-L682 HydrophobicContact CG1-CG 3.49Å; V657-L682 VanDerWaalsContact CG1-CG 3.49Å; L658-L682 PolarHBondContact O-N 3.32Å; L659-L682 HydrophobicContact CD2-CB 4.26Å; L659-L682 HydrophobicContact CD2-CD1 4.18Å; Q660-L682 PolarHBondContact N-O 3.03Å; L682-T694 HydrophobicContact CB-CG2 4.15Å; L682-T694 HydrophobicContact CD2-CG2 4.28Å; L682-I695 WeakPolarHBondContact CA-O 2.96Å; L682-R696 HydrophobicContact CD2-CB 3.78Å; L682-R696 HydrophobicContact CD2-CG 4.08Å |
| 683 | F | 91.4 | Very high | 89.5 | Confident | 9 Ų | 9 | 44.9 Ų | 44.9 | 4% | 0.039 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 138.2 | -174.7 | -153.1 | -91.2 | 0 | 0 | 0 | 111.3 | I681 T694 I695 F742 L745 L751 | I681-F683 HydrophobicContact CD1-CD2 3.72Å; I681-F683 HydrophobicContact CD1-CE2 4.44Å; I681-F683 HydrophobicContact CG1-CB 4.31Å; I681-F683 HydrophobicContact CG1-CD2 4.17Å; I681-F683 HydrophobicContact CG2-CB 4.49Å; F683-T694 CarbonylContact O-C 3.53Å; F683-T694 WeakPolarHBondContact O-CA 3.13Å; F683-I695 HydrophobicContact CB-CG1 4.26Å; F683-I695 PolarHBondContact N-O 2.98Å; F683-I695 WeakPolarHBondContact O-CG1 3.28Å; F683-I695 PolarHBondContact O-N 2.87Å; F683-F742 HydrophobicContact CB-CD1 4.2Å; F683-F742 HydrophobicContact CB-CE1 4.11Å; F683-F742 AromaticContact CD1-CD1 3.85Å; F683-F742 HydrophobicContact CD1-CD1 3.85Å; F683-F742 HydrophobicContact CD1-CE1 4.13Å; F683-F742 HydrophobicContact CD2-CB 4.32Å; F683-F742 AromaticContact CD2-CD1 3.79Å; F683-F742 HydrophobicContact CD2-CD1 3.79Å; F683-F742 HydrophobicContact CD2-CG 4.29Å; F683-F742 HydrophobicContact CE1-CD1 4.17Å; F683-F742 HydrophobicContact CE2-CB 4.13Å; F683-F742 HydrophobicContact CE2-CD1 4.1Å; F683-F742 AromaticContact CG-CD1 3.64Å; F683-F742 HydrophobicContact CG-CD1 3.64Å; F683-F742 AromaticContact CG-CE1 3.99Å; F683-F742 HydrophobicContact CG-CE1 3.99Å; F683-F742 HydrophobicContact CZ-CD1 4.28Å; F683-L745 HydrophobicContact CE1-CD1 4.31Å; F683-L745 HydrophobicContact CZ-CD1 3.76Å; F683-L751 HydrophobicContact CD1-CB 4.47Å; F683-L751 HydrophobicContact CD1-CD2 4.24Å; F683-L751 HydrophobicContact CE1-CB 3.75Å; F683-L751 HydrophobicContact CE1-CD2 4.11Å |
| 684 | K | 93.3 | Very high | 90.1 | Very high | 48 Ų | 48 | 43.3 Ų | 43.3 | 21% | 0.209 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 123.8 | 176.5 | -64 | -177.5 | -176 | 155.8 | 0 | 109.6 | Y686 Y692 | K684-Y686 HydrophobicContact CB-CD2 4.46Å; K684-Y686 HydrophobicContact CB-CE2 3.79Å; K684-Y692 HydrophobicContact CB-CD2 3.85Å; K684-Y692 HydrophobicContact CB-CE2 4.47Å; K684-Y692 HydrophobicContact CB-CG 4.24Å; K684-Y692 HydrophobicContact CD-CD1 4.4Å; K684-Y692 HydrophobicContact CD-CD2 3.68Å; K684-Y692 HydrophobicContact CD-CE1 4.3Å; K684-Y692 HydrophobicContact CD-CE2 3.55Å; K684-Y692 HydrophobicContact CD-CG 4.11Å; K684-Y692 HydrophobicContact CG-CD2 3.56Å; K684-Y692 HydrophobicContact CG-CE2 3.69Å; K684-Y692 HydrophobicContact CG-CG 4.29Å |
| 685 | V | 94.6 | Very high | 90.4 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 119.2 | 171.6 | -171.2 | 0 | 0 | 0 | 0 | 108.3 | Y692 T693 I695 V710 L722 L751 A753 | V685-Y692 CarbonylContact O-C 3.57Å; V685-Y692 VanDerWaalsContact O-CA 3.25Å; V685-Y692 WeakPolarHBondContact O-CA 3.5Å; V685-Y692 WeakPolarHBondContact O-CB 3.36Å; V685-T693 PolarHBondContact N-O 2.74Å; V685-T693 PolarHBondContact O-N 3.31Å; V685-I695 HydrophobicContact CG2-CD1 3.78Å; V685-I695 HydrophobicContact CG2-CG1 4.1Å; V685-V710 HydrophobicContact CB-CG2 3.95Å; V685-V710 HydrophobicContact CG1-CG2 4.03Å; V685-V710 HydrophobicContact CG2-CG2 3.92Å; V685-L722 HydrophobicContact CG1-CD1 3.99Å; V685-L751 HydrophobicContact CG2-CD2 4.17Å; V685-A753 HydrophobicContact CG1-CB 3.72Å |
| 686 | Y | 94.7 | Very high | 90.6 | Very high | 7 Ų | 7 | 46.7 Ų | 46.7 | 3% | 0.027 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 152.5 | -173 | -66.7 | -98.9 | 0 | 0 | 0 | 111.7 | Q660 K684 T691 Y692 R750 L751 F752 A753 L765 | Q660-Y686 PolarHBondContact NE2-OH 3.49Å; K684-Y686 HydrophobicContact CB-CD2 4.46Å; K684-Y686 HydrophobicContact CB-CE2 3.79Å; Y686-T691 CarbonylContact C-O 3.58Å; Y686-T691 VanDerWaalsContact CA-O 3.26Å; Y686-T691 WeakPolarHBondContact CA-O 3.32Å; Y686-Y692 HydrophobicContact CD1-CD1 4.41Å; Y686-Y692 HydrophobicContact CD1-CG 4.45Å; Y686-Y692 AromaticContact CE1-CD1 3.96Å; Y686-Y692 HydrophobicContact CE1-CD1 3.96Å; Y686-Y692 HydrophobicContact CE1-CG 4.22Å; Y686-R750 HydrophobicContact CD2-CB 4.39Å; Y686-R750 HydrophobicContact CE2-CB 4.47Å; Y686-R750 HydrophobicContact CE2-CG 4.48Å; Y686-L751 PolarHBondContact N-O 2.92Å; Y686-F752 VanDerWaalsContact CB-CE1 3.46Å; Y686-F752 HydrophobicContact CG-CE1 4.42Å; Y686-F752 HydrophobicContact CG-CZ 4.43Å; Y686-F752 CarbonylContact O-C 3.59Å; Y686-F752 WeakPolarHBondContact O-CA 3.28Å; Y686-A753 PolarHBondContact O-N 2.82Å; Y686-L765 HydrophobicContact CD1-CD1 3.61Å; Y686-L765 HydrophobicContact CD1-CD2 4.11Å; Y686-L765 HydrophobicContact CD1-CG 4.49Å; Y686-L765 HydrophobicContact CD2-CD1 4.23Å; Y686-L765 HydrophobicContact CE1-CD1 3.33Å; Y686-L765 HydrophobicContact CE1-CD2 4.39Å; Y686-L765 HydrophobicContact CE2-CD1 4.01Å; Y686-L765 HydrophobicContact CG-CD1 4.05Å |
| 687 | C | 92.1 | Very high | 90.9 | Very high | 22 Ų | 22 | 45.6 Ų | 45.6 | 15% | 0.149 | 23% | 0.232 | C | C | . | . | trans | -101.6 | 172.2 | 171.4 | -63.1 | 0 | 0 | 0 | 0 | 110.3 | D689 H690 T691 F752 | C687-D689 WeakPolarHBondContact CB-OD1 3.49Å; C687-D689 PolarHBondContact O-N 3.26Å; C687-H690 PolarHBondContact O-N 3.37Å; C687-T691 PolarHBondContact N-O 2.84Å; C687-F752 WeakPolarHBondContact O-CE1 3.46Å | ||
| 688 | C | 89.5 | Confident | 91.3 | Very high | 40 Ų | 40 | 47.2 Ų | 47.2 | 27% | 0.27 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -26 | -179.5 | -60.1 | 0 | 0 | 0 | 0 | 113.9 | H690 C754 Q758 L762 | C688-H690 VanDerWaalsContact C-N 3.28Å; C688-C754 WeakPolarHBondContact SG-CB 3.17Å; C688-Q758 PolarHBondContact SG-OE1 2.91Å; C688-L762 HydrophobicContact CB-CD2 4.25Å; C688-L762 VanDerWaalsContact SG-CD2 3.58Å |
| 689 | D | 90 | Very high | 91.5 | Very high | 111 Ų | 111 | 42.3 Ų | 42.3 | 59% | 0.594 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 10.2 | 177.5 | 67.9 | -7.3 | 0 | 0 | 0 | 113.6 | C687 T691 | C687-D689 WeakPolarHBondContact CB-OD1 3.49Å; C687-D689 PolarHBondContact O-N 3.26Å; D689-T691 PolarHBondContact O-N 3.42Å; D689-T691 WeakPolarHBondContact OD1-CB 3.47Å; D689-T691 WeakPolarHBondContact OD1-CG2 3.35Å; D689-T691 PolarHBondContact OD1-N 3.32Å; D689-T691 PolarHBondContact OD1-OG1 2.82Å; D689-T691 WeakPolarHBondContact OD2-CG2 3.5Å; D689-T691 PolarHBondContact OD2-OG1 3.2Å |
| 690 | H | 93.2 | Very high | 91.7 | Very high | 74 Ų | 74 | 43 Ų | 43 | 34% | 0.343 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 65.9 | 8 | -178.2 | -58.6 | 178.9 | 0 | 0 | 0 | 115.1 | C687 C688 V763 L765 | C687-H690 PolarHBondContact O-N 3.37Å; C688-H690 VanDerWaalsContact C-N 3.28Å; H690-V763 PolarHBondContact NE2-O 3.47Å; H690-V763 VanDerWaalsContact NE2-O 3.13Å; H690-L765 HydrophobicContact CB-CD2 3.67Å |
| 691 | T | 93 | Very high | 91.9 | Very high | 74 Ų | 74 | 41.2 Ų | 41.2 | 45% | 0.454 | 21% | 0.213 | S | C | . | . | trans | -69.3 | 162.6 | 162.3 | 67.8 | 0 | 0 | 0 | 0 | 110.1 | Y686 C687 D689 | Y686-T691 CarbonylContact C-O 3.58Å; Y686-T691 VanDerWaalsContact CA-O 3.26Å; Y686-T691 WeakPolarHBondContact CA-O 3.32Å; C687-T691 PolarHBondContact N-O 2.84Å; D689-T691 PolarHBondContact O-N 3.42Å; D689-T691 WeakPolarHBondContact OD1-CB 3.47Å; D689-T691 WeakPolarHBondContact OD1-CG2 3.35Å; D689-T691 PolarHBondContact OD1-N 3.32Å; D689-T691 PolarHBondContact OD1-OG1 2.82Å; D689-T691 WeakPolarHBondContact OD2-CG2 3.5Å; D689-T691 PolarHBondContact OD2-OG1 3.2Å | ||
| 692 | Y | 93.6 | Very high | 92.2 | Very high | 119 Ų | 119 | 41.8 Ų | 41.8 | 47% | 0.467 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 153.1 | 178.7 | 68.7 | -90.1 | 0 | 0 | 0 | 112.9 | K684 V685 Y686 T694 | K684-Y692 HydrophobicContact CB-CD2 3.85Å; K684-Y692 HydrophobicContact CB-CE2 4.47Å; K684-Y692 HydrophobicContact CB-CG 4.24Å; K684-Y692 HydrophobicContact CD-CD1 4.4Å; K684-Y692 HydrophobicContact CD-CD2 3.68Å; K684-Y692 HydrophobicContact CD-CE1 4.3Å; K684-Y692 HydrophobicContact CD-CE2 3.55Å; K684-Y692 HydrophobicContact CD-CG 4.11Å; K684-Y692 HydrophobicContact CG-CD2 3.56Å; K684-Y692 HydrophobicContact CG-CE2 3.69Å; K684-Y692 HydrophobicContact CG-CG 4.29Å; V685-Y692 CarbonylContact O-C 3.57Å; V685-Y692 VanDerWaalsContact O-CA 3.25Å; V685-Y692 WeakPolarHBondContact O-CA 3.5Å; V685-Y692 WeakPolarHBondContact O-CB 3.36Å; Y686-Y692 HydrophobicContact CD1-CD1 4.41Å; Y686-Y692 HydrophobicContact CD1-CG 4.45Å; Y686-Y692 AromaticContact CE1-CD1 3.96Å; Y686-Y692 HydrophobicContact CE1-CD1 3.96Å; Y686-Y692 HydrophobicContact CE1-CG 4.22Å; Y692-T694 WeakPolarHBondContact CE2-OG1 3.21Å |
| 693 | T | 92.5 | Very high | 92.4 | Very high | 20 Ų | 20 | 39.2 Ų | 39.2 | 12% | 0.123 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 125.4 | 169.6 | -64.6 | 0 | 0 | 0 | 0 | 108.9 | V685 I695 K713 L714 | V685-T693 PolarHBondContact N-O 2.74Å; V685-T693 PolarHBondContact O-N 3.31Å; T693-I695 HydrophobicContact CG2-CG2 4.26Å; T693-K713 HydrophobicContact CG2-CB 3.52Å; T693-K713 HydrophobicContact CG2-CD 3.36Å; T693-K713 HydrophobicContact CG2-CG 4.04Å; T693-L714 WeakPolarHBondContact OG1-CD2 3.49Å |
| 694 | T | 93.9 | Very high | 92.5 | Very high | 51 Ų | 51 | 45.8 Ų | 45.8 | 31% | 0.313 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 115.9 | 171.5 | -55.5 | 0 | 0 | 0 | 0 | 109 | L682 F683 Y692 K713 | L682-T694 HydrophobicContact CB-CG2 4.15Å; L682-T694 HydrophobicContact CD2-CG2 4.28Å; F683-T694 CarbonylContact O-C 3.53Å; F683-T694 WeakPolarHBondContact O-CA 3.13Å; Y692-T694 WeakPolarHBondContact CE2-OG1 3.21Å; T694-K713 PolarHBondContact O-NZ 3.24Å |
| 695 | I | 92.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 155.2 | 174.2 | 60.7 | 174 | 0 | 0 | 0 | 110.9 | L682 F683 V685 T693 V697 V706 A709 V710 | L682-I695 WeakPolarHBondContact CA-O 2.96Å; F683-I695 HydrophobicContact CB-CG1 4.26Å; F683-I695 PolarHBondContact N-O 2.98Å; F683-I695 WeakPolarHBondContact O-CG1 3.28Å; F683-I695 PolarHBondContact O-N 2.87Å; V685-I695 HydrophobicContact CG2-CD1 3.78Å; V685-I695 HydrophobicContact CG2-CG1 4.1Å; T693-I695 HydrophobicContact CG2-CG2 4.26Å; I695-V697 HydrophobicContact CD1-CG1 4.35Å; I695-V697 HydrophobicContact CD1-CG2 3.99Å; I695-V697 HydrophobicContact CG1-CG2 4.39Å; I695-V706 HydrophobicContact CD1-CB 4.41Å; I695-V706 HydrophobicContact CD1-CG1 3.68Å; I695-V706 HydrophobicContact CD1-CG2 4.38Å; I695-A709 HydrophobicContact CB-CB 4.3Å; I695-A709 HydrophobicContact CG2-CB 4.1Å; I695-V710 HydrophobicContact CG2-CG2 3.72Å |
| 696 | R | 92.6 | Very high | 92.5 | Very high | 140 Ų | 140 | 47.2 Ų | 47.2 | 53% | 0.528 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 108.4 | 171.7 | -178.3 | -178.8 | 175.6 | 177.1 | -0 | 107.5 | E680 I681 L682 | E680-R696 HydrophobicContact CB-CG 4.43Å; E680-R696 IonicContact OE1-CZ 3.88Å; E680-R696 IonicContact OE1-NE 2.7Å; E680-R696 PolarHBondContact OE1-NE 3.25Å; E680-R696 VanDerWaalsContact OE1-NE 3.11Å; E680-R696 IonicContact OE1-NH2 2.64Å; E680-R696 IonicContact OE2-CZ 2.59Å; E680-R696 IonicContact OE2-NE 3.25Å; E680-R696 PolarHBondContact OE2-NE 2.91Å; E680-R696 IonicContact OE2-NH2 3.3Å; E680-R696 PolarHBondContact OE2-NH2 3.22Å; I681-R696 WeakPolarHBondContact O-CA 3.4Å; L682-R696 HydrophobicContact CD2-CB 3.78Å; L682-R696 HydrophobicContact CD2-CG 4.08Å |
| 697 | V | 92.1 | Very high | 92.4 | Very high | 9 Ų | 9 | 48.2 Ų | 48.2 | 6% | 0.055 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 157.2 | -177 | -65.2 | 0 | 0 | 0 | 0 | 110.2 | E680 I681 I695 V706 A709 F742 | E680-V697 WeakPolarHBondContact CA-O 3.34Å; I681-V697 HydrophobicContact CG2-CG2 4.17Å; I681-V697 WeakPolarHBondContact CG2-O 3.29Å; I681-V697 PolarHBondContact N-O 2.92Å; I681-V697 PolarHBondContact O-N 3.37Å; I695-V697 HydrophobicContact CD1-CG1 4.35Å; I695-V697 HydrophobicContact CD1-CG2 3.99Å; I695-V697 HydrophobicContact CG1-CG2 4.39Å; V697-V706 HydrophobicContact CG2-CG2 4.41Å; V697-A709 HydrophobicContact CG1-CB 3.78Å; V697-F742 HydrophobicContact CG2-CE2 4.04Å; V697-F742 HydrophobicContact CG2-CZ 3.55Å |
| 698 | P | 91.5 | Very high | 92.5 | Very high | 54 Ų | 54 | 52.5 Ų | 52.5 | 35% | 0.351 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 147.8 | 169.2 | -26.5 | 34.1 | 0 | 0 | 0 | 113.2 | D679 A700 S701 | D679-P698 CarbonylContact O-C 3.58Å; D679-P698 WeakPolarHBondContact O-CA 3.34Å; P698-A700 PolarHBondContact O-N 3.09Å; P698-S701 WeakPolarHBondContact CD-OG 3.38Å; P698-S701 WeakPolarHBondContact O-CB 3.44Å; P698-S701 PolarHBondContact O-N 3.27Å; P698-S701 PolarHBondContact O-OG 2.93Å |
| 699 | V | 89.8 | Confident | 92.7 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -31.8 | 176.9 | 169.3 | 0 | 0 | 0 | 0 | 111.9 | L658 F662 I675 G677 D679 I681 S701 S740 V822 | L658-V699 HydrophobicContact CD1-CG2 3.82Å; F662-V699 HydrophobicContact CE1-CG1 4.5Å; I675-V699 HydrophobicContact CG2-CG1 4.35Å; I675-V699 HydrophobicContact CG2-CG2 4.17Å; G677-V699 PolarHBondContact O-N 2.9Å; D679-V699 HydrophobicContact CB-CG2 4.25Å; D679-V699 WeakPolarHBondContact O-CG2 3.36Å; D679-V699 PolarHBondContact O-N 3.41Å; I681-V699 HydrophobicContact CB-CG2 4.19Å; I681-V699 HydrophobicContact CG2-CG2 4.4Å; V699-S701 VanDerWaalsContact C-N 3.27Å; V699-S701 PolarHBondContact O-N 2.85Å; V699-S740 VanDerWaalsContact O-CA 3.25Å; V699-S740 WeakPolarHBondContact O-CA 3.42Å; V699-S740 WeakPolarHBondContact O-CB 3.27Å; V699-S740 PolarHBondContact O-OG 2.93Å; V699-V822 HydrophobicContact CG1-CB 4.06Å; V699-V822 HydrophobicContact CG1-CG1 4.05Å; V699-V822 HydrophobicContact CG1-CG2 4.19Å |
| 700 | A | 89.8 | Confident | 92.8 | Very high | 29 Ų | 29 | 46.4 Ų | 46.4 | 24% | 0.24 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 5.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G677 P698 | G677-A700 WeakPolarHBondContact O-CB 3.47Å; G677-A700 PolarHBondContact O-N 3.33Å; P698-A700 PolarHBondContact O-N 3.09Å |
| 701 | S | 92.4 | Very high | 92.7 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.014 | 22% | 0.217 | C | C | . | . | trans | -57.2 | 145.8 | -176.9 | -85 | 0 | 0 | 0 | 0 | 113.7 | P698 V699 E705 S740 | P698-S701 WeakPolarHBondContact CD-OG 3.38Å; P698-S701 WeakPolarHBondContact O-CB 3.44Å; P698-S701 PolarHBondContact O-N 3.27Å; P698-S701 PolarHBondContact O-OG 2.93Å; V699-S701 VanDerWaalsContact C-N 3.27Å; V699-S701 PolarHBondContact O-N 2.85Å; S701-E705 WeakPolarHBondContact CA-OE2 3.43Å; S701-E705 WeakPolarHBondContact CB-OE2 3.39Å; S701-E705 PolarHBondContact OG-OE2 3.42Å; S701-S740 PolarHBondContact O-N 3.24Å; S701-S740 VanDerWaalsContact O-N 3.1Å | ||
| 702 | S | 93.2 | Very high | 92.6 | Very high | 12 Ų | 12 | 46.7 Ų | 46.7 | 8% | 0.084 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -76.2 | 156.6 | 172.5 | 63.7 | 0 | 0 | 0 | 0 | 111.6 | R704 E705 V706 D738 | S702-R704 PolarHBondContact O-N 3.48Å; S702-E705 PolarHBondContact N-OE2 3.26Å; S702-E705 WeakPolarHBondContact O-CB 3.38Å; S702-E705 PolarHBondContact O-N 2.99Å; S702-E705 VanDerWaalsContact O-N 3.08Å; S702-E705 WeakPolarHBondContact OG-CG 3.36Å; S702-E705 PolarHBondContact OG-N 2.96Å; S702-E705 PolarHBondContact OG-OE1 2.92Å; S702-V706 WeakPolarHBondContact O-CG2 3.19Å; S702-V706 PolarHBondContact O-N 3.19Å; S702-D738 CarbonylContact C-O 3.53Å; S702-D738 VanDerWaalsContact CA-O 3.28Å; S702-D738 WeakPolarHBondContact CA-O 3.4Å |
| 703 | V | 94 | Very high | 92.4 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.7 | -35.9 | 173 | 168.6 | 0 | 0 | 0 | 0 | 111.4 | V706 L707 L722 F734 K735 D738 I741 | V703-V706 PolarHBondContact O-N 3.41Å; V703-L707 HydrophobicContact CG1-CD1 3.92Å; V703-L707 HydrophobicContact CG1-CG 4.35Å; V703-L707 WeakPolarHBondContact O-CB 3.4Å; V703-L707 WeakPolarHBondContact O-CG 3.25Å; V703-L707 PolarHBondContact O-N 2.93Å; V703-L722 HydrophobicContact CB-CD2 4.37Å; V703-L722 HydrophobicContact CG1-CB 3.92Å; V703-L722 HydrophobicContact CG1-CD2 3.85Å; V703-L722 HydrophobicContact CG2-CD2 4.17Å; V703-F734 HydrophobicContact CG1-CB 4.41Å; V703-F734 HydrophobicContact CG2-CB 3.72Å; V703-K735 VanDerWaalsContact CB-O 3.27Å; V703-K735 WeakPolarHBondContact CB-O 3.41Å; V703-K735 VanDerWaalsContact CG2-O 3.3Å; V703-K735 WeakPolarHBondContact CG2-O 3.33Å; V703-D738 HydrophobicContact CG2-CB 3.86Å; V703-D738 PolarHBondContact N-O 3.28Å; V703-I741 HydrophobicContact CG2-CD1 4.13Å; V703-I741 HydrophobicContact CG2-CG2 3.89Å |
| 704 | R | 93.1 | Very high | 92.1 | Very high | 147 Ų | 147 | 49.3 Ų | 49.3 | 56% | 0.555 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -59.9 | -49.1 | 174.4 | -172.4 | -178.4 | 65.5 | 173.7 | 2.6 | 112.1 | S702 V706 L707 E708 P736 | S702-R704 PolarHBondContact O-N 3.48Å; R704-V706 VanDerWaalsContact C-N 3.28Å; R704-V706 PolarHBondContact O-N 3.22Å; R704-L707 PolarHBondContact O-N 2.96Å; R704-E708 WeakPolarHBondContact CG-OE1 3.48Å; R704-E708 IonicContact NE-OE1 3.32Å; R704-E708 WeakPolarHBondContact O-CG 3.48Å; R704-E708 PolarHBondContact O-N 3.15Å; R704-P736 PolarHBondContact N-O 2.91Å |
| 705 | E | 93.7 | Very high | 91.4 | Very high | 79 Ų | 79 | 50.3 Ų | 50.3 | 37% | 0.369 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.2 | -36.9 | 176.9 | -71.4 | 153.4 | -136.8 | 0 | 0 | 112 | S701 S702 E708 A709 | S701-E705 WeakPolarHBondContact CA-OE2 3.43Å; S701-E705 WeakPolarHBondContact CB-OE2 3.39Å; S701-E705 PolarHBondContact OG-OE2 3.42Å; S702-E705 PolarHBondContact N-OE2 3.26Å; S702-E705 WeakPolarHBondContact O-CB 3.38Å; S702-E705 PolarHBondContact O-N 2.99Å; S702-E705 VanDerWaalsContact O-N 3.08Å; S702-E705 WeakPolarHBondContact OG-CG 3.36Å; S702-E705 PolarHBondContact OG-N 2.96Å; S702-E705 PolarHBondContact OG-OE1 2.92Å; E705-E708 PolarHBondContact O-N 2.99Å; E705-A709 WeakPolarHBondContact O-CB 3.41Å; E705-A709 PolarHBondContact O-N 3.45Å |
| 706 | V | 94.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.1 | -47.2 | 175.6 | 171.1 | 0 | 0 | 0 | 0 | 111 | I695 V697 S702 V703 R704 A709 V710 L722 F742 | I695-V706 HydrophobicContact CD1-CB 4.41Å; I695-V706 HydrophobicContact CD1-CG1 3.68Å; I695-V706 HydrophobicContact CD1-CG2 4.38Å; V697-V706 HydrophobicContact CG2-CG2 4.41Å; S702-V706 WeakPolarHBondContact O-CG2 3.19Å; S702-V706 PolarHBondContact O-N 3.19Å; V703-V706 PolarHBondContact O-N 3.41Å; R704-V706 VanDerWaalsContact C-N 3.28Å; R704-V706 PolarHBondContact O-N 3.22Å; V706-A709 PolarHBondContact O-N 2.85Å; V706-V710 VanDerWaalsContact O-CG2 3.32Å; V706-V710 WeakPolarHBondContact O-CG2 3.34Å; V706-V710 PolarHBondContact O-N 3.16Å; V706-L722 HydrophobicContact CB-CD2 4.17Å; V706-L722 HydrophobicContact CG1-CD1 4.08Å; V706-L722 HydrophobicContact CG1-CD2 3.66Å; V706-F742 HydrophobicContact CG2-CE1 4.19Å; V706-F742 HydrophobicContact CG2-CZ 3.63Å |
| 707 | L | 94.1 | Very high | 88.9 | Confident | 29 Ų | 29 | 50.4 Ų | 50.4 | 15% | 0.152 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 177.8 | -74.4 | 170.3 | 0 | 0 | 0 | 111.8 | V703 R704 V710 A711 L720 L722 | V703-L707 HydrophobicContact CG1-CD1 3.92Å; V703-L707 HydrophobicContact CG1-CG 4.35Å; V703-L707 WeakPolarHBondContact O-CB 3.4Å; V703-L707 WeakPolarHBondContact O-CG 3.25Å; V703-L707 PolarHBondContact O-N 2.93Å; R704-L707 PolarHBondContact O-N 2.96Å; L707-V710 PolarHBondContact O-N 3.42Å; L707-A711 VanDerWaalsContact O-CB 3.27Å; L707-A711 WeakPolarHBondContact O-CB 3.09Å; L707-A711 PolarHBondContact O-N 3.29Å; L707-L720 HydrophobicContact CD2-CB 3.95Å; L707-L722 HydrophobicContact CD1-CB 4.49Å; L707-L722 HydrophobicContact CD2-CB 4.04Å; L707-L722 HydrophobicContact CD2-CD1 4.28Å; L707-L722 HydrophobicContact CG-CB 4.28Å |
| 708 | E | 92.9 | Very high | 87.6 | Confident | 111 Ų | 111 | 57.4 Ų | 57.4 | 52% | 0.519 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.9 | -45 | 173.4 | -74 | 168.7 | -171.6 | 0 | 0 | 111.3 | R704 E705 V710 A711 D712 | R704-E708 WeakPolarHBondContact CG-OE1 3.48Å; R704-E708 IonicContact NE-OE1 3.32Å; R704-E708 WeakPolarHBondContact O-CG 3.48Å; R704-E708 PolarHBondContact O-N 3.15Å; E705-E708 PolarHBondContact O-N 2.99Å; E708-V710 VanDerWaalsContact C-N 3.32Å; E708-V710 PolarHBondContact O-N 3.44Å; E708-A711 PolarHBondContact O-N 2.75Å; E708-D712 WeakPolarHBondContact O-CB 3.49Å; E708-D712 PolarHBondContact O-N 3.2Å |
| 709 | A | 93.4 | Very high | 87.2 | Confident | 23 Ų | 23 | 60.7 Ų | 60.7 | 19% | 0.19 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.8 | -30.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | I695 V697 E705 V706 | I695-A709 HydrophobicContact CB-CB 4.3Å; I695-A709 HydrophobicContact CG2-CB 4.1Å; V697-A709 HydrophobicContact CG1-CB 3.78Å; E705-A709 WeakPolarHBondContact O-CB 3.41Å; E705-A709 PolarHBondContact O-N 3.45Å; V706-A709 PolarHBondContact O-N 2.85Å |
| 710 | V | 92.9 | Very high | 87.2 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.006 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -73.8 | -46.8 | 173.5 | 171.5 | 0 | 0 | 0 | 0 | 110.4 | V685 I695 V706 L707 E708 D712 K713 L714 A753 | V685-V710 HydrophobicContact CB-CG2 3.95Å; V685-V710 HydrophobicContact CG1-CG2 4.03Å; V685-V710 HydrophobicContact CG2-CG2 3.92Å; I695-V710 HydrophobicContact CG2-CG2 3.72Å; V706-V710 VanDerWaalsContact O-CG2 3.32Å; V706-V710 WeakPolarHBondContact O-CG2 3.34Å; V706-V710 PolarHBondContact O-N 3.16Å; L707-V710 PolarHBondContact O-N 3.42Å; E708-V710 VanDerWaalsContact C-N 3.32Å; E708-V710 PolarHBondContact O-N 3.44Å; V710-D712 VanDerWaalsContact C-N 3.33Å; V710-D712 PolarHBondContact O-N 2.93Å; V710-K713 PolarHBondContact O-N 3.25Å; V710-K713 VanDerWaalsContact O-N 3.16Å; V710-L714 HydrophobicContact CG1-CD1 3.53Å; V710-L714 HydrophobicContact CG1-CG 4.14Å; V710-L714 WeakPolarHBondContact O-CG 3.33Å; V710-L714 PolarHBondContact O-N 3.37Å; V710-A753 HydrophobicContact CG1-CB 3.93Å |
| 711 | A | 91.3 | Very high | 87.4 | Confident | 17 Ų | 17 | 62 Ų | 62 | 14% | 0.14 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.9 | -40.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L707 E708 K713 L714 G715 S716 A717 | L707-A711 VanDerWaalsContact O-CB 3.27Å; L707-A711 WeakPolarHBondContact O-CB 3.09Å; L707-A711 PolarHBondContact O-N 3.29Å; E708-A711 PolarHBondContact O-N 2.75Å; A711-K713 VanDerWaalsContact C-N 3.27Å; A711-K713 PolarHBondContact O-N 2.85Å; A711-L714 PolarHBondContact O-N 3.35Å; A711-G715 PolarHBondContact O-N 3.49Å; A711-S716 WeakPolarHBondContact CA-O 3.34Å; A711-S716 WeakPolarHBondContact CB-O 3.46Å; A711-S716 PolarHBondContact O-N 3.26Å; A711-A717 HydrophobicContact CB-CB 4.41Å |
| 712 | D | 90.3 | Very high | 87.5 | Confident | 136 Ų | 136 | 62 Ų | 62 | 73% | 0.727 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -57.9 | -39.2 | 175.8 | -175.4 | 54.4 | 0 | 0 | 0 | 112.1 | E708 V710 | E708-D712 WeakPolarHBondContact O-CB 3.49Å; E708-D712 PolarHBondContact O-N 3.2Å; V710-D712 VanDerWaalsContact C-N 3.33Å; V710-D712 PolarHBondContact O-N 2.93Å |
| 713 | K | 89.8 | Confident | 87.6 | Confident | 121 Ų | 121 | 61.4 Ų | 61.4 | 53% | 0.526 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -82.2 | -31.8 | 179.7 | -70.8 | -170.1 | 177.2 | -158.8 | 0 | 114.1 | T693 T694 V710 A711 | T693-K713 HydrophobicContact CG2-CB 3.52Å; T693-K713 HydrophobicContact CG2-CD 3.36Å; T693-K713 HydrophobicContact CG2-CG 4.04Å; T694-K713 PolarHBondContact O-NZ 3.24Å; V710-K713 PolarHBondContact O-N 3.25Å; V710-K713 VanDerWaalsContact O-N 3.16Å; A711-K713 VanDerWaalsContact C-N 3.27Å; A711-K713 PolarHBondContact O-N 2.85Å |
| 714 | L | 86.1 | Confident | 87.7 | Confident | 73 Ų | 73 | 61.7 Ų | 61.7 | 38% | 0.382 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -84.2 | -15.3 | 178.1 | -67.7 | -179.8 | 0 | 0 | 0 | 112.9 | T693 V710 A711 S716 | T693-L714 WeakPolarHBondContact OG1-CD2 3.49Å; V710-L714 HydrophobicContact CG1-CD1 3.53Å; V710-L714 HydrophobicContact CG1-CG 4.14Å; V710-L714 WeakPolarHBondContact O-CG 3.33Å; V710-L714 PolarHBondContact O-N 3.37Å; A711-L714 PolarHBondContact O-N 3.35Å; L714-S716 PolarHBondContact O-N 3.35Å |
| 715 | G | 79.6 | Confident | 87.7 | Confident | 73 Ų | 73 | 54.8 Ų | 54.8 | 75% | 0.753 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 17.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | A711 | A711-G715 PolarHBondContact O-N 3.49Š|
| 716 | S | 70.9 | Confident | 87.7 | Confident | 59 Ų | 59 | 51.7 Ų | 51.7 | 41% | 0.413 | 30% | 0.303 | S | S | . | . | trans | -141.3 | 129.4 | -179.6 | -178.6 | 0 | 0 | 0 | 0 | 110.4 | A711 L714 | A711-S716 WeakPolarHBondContact CA-O 3.34Å; A711-S716 WeakPolarHBondContact CB-O 3.46Å; A711-S716 PolarHBondContact O-N 3.26Å; L714-S716 PolarHBondContact O-N 3.35Å | ||
| 717 | A | 62.1 | Low | 87.5 | Confident | 83 Ų | 83 | 52 Ų | 52 | 69% | 0.686 | 31% | 0.305 | S | S | * | . | trans | -112.7 | -0.5 | -174 | 0 | 0 | 0 | 0 | 0 | 114 | A711 D719 | A711-A717 HydrophobicContact CB-CB 4.41Å; A717-D719 PolarHBondContact O-N 2.94Å | ||
| 718 | E | 65.4 | Low | 87.3 | Confident | 156 Ų | 156 | 52.1 Ų | 52.1 | 73% | 0.729 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -86.5 | 111.1 | -168.2 | -66.2 | -169.8 | 176.9 | 0 | 0 | 112.5 | L720 | E718-L720 PolarHBondContact O-N 3.33Š|
| 719 | D | 81.9 | Confident | 87 | Confident | 123 Ų | 123 | 48.1 Ų | 48.1 | 66% | 0.658 | 30% | 0.299 | S | S | * | . | S | Bend | trans | 57.4 | 37.4 | 165.8 | -146.8 | 26.4 | 0 | 0 | 0 | 116.5 | A717 | A717-D719 PolarHBondContact O-N 2.94Š|
| 720 | L | 89.8 | Confident | 86.8 | Confident | 36 Ų | 36 | 51.7 Ų | 51.7 | 19% | 0.188 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 134.1 | 172.9 | -67.1 | 175.8 | 0 | 0 | 0 | 111.6 | L707 E718 Q755 | L707-L720 HydrophobicContact CD2-CB 3.95Å; E718-L720 PolarHBondContact O-N 3.33Å; L720-Q755 HydrophobicContact CD2-CG 4.45Å |
| 721 | I | 93.3 | Very high | 86.8 | Confident | 20 Ų | 20 | 55.1 Ų | 55.1 | 10% | 0.103 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 149.9 | 168.8 | 59.9 | 165.5 | 0 | 0 | 0 | 110.4 | V723 V733 A753 C754 R756 L759 | I721-V723 HydrophobicContact CD1-CG2 4.01Å; I721-V723 HydrophobicContact CG1-CG2 4.16Å; I721-V733 HydrophobicContact CB-CG1 4.5Å; I721-V733 HydrophobicContact CD1-CG1 4.36Å; I721-V733 HydrophobicContact CD1-CG2 4.49Å; I721-A753 WeakPolarHBondContact O-CA 3.46Å; I721-C754 VanDerWaalsContact CG1-O 3.23Å; I721-C754 WeakPolarHBondContact CG1-O 3.5Å; I721-C754 PolarHBondContact N-O 2.63Å; I721-C754 PolarHBondContact O-N 3.26Å; I721-C754 VanDerWaalsContact O-N 3.11Å; I721-R756 HydrophobicContact CD1-CB 4.45Å; I721-R756 HydrophobicContact CD1-CG 4.45Å; I721-L759 HydrophobicContact CD1-CB 4.49Å; I721-L759 HydrophobicContact CD1-CD1 4.18Å; I721-L759 HydrophobicContact CD1-CD2 4.49Å |
| 722 | L | 95.3 | Very high | 86.8 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 127.4 | 178.9 | -160.9 | 68.7 | 0 | 0 | 0 | 110.1 | V685 V703 V706 L707 F734 I741 L751 F752 A753 | V685-L722 HydrophobicContact CG1-CD1 3.99Å; V703-L722 HydrophobicContact CB-CD2 4.37Å; V703-L722 HydrophobicContact CG1-CB 3.92Å; V703-L722 HydrophobicContact CG1-CD2 3.85Å; V703-L722 HydrophobicContact CG2-CD2 4.17Å; V706-L722 HydrophobicContact CB-CD2 4.17Å; V706-L722 HydrophobicContact CG1-CD1 4.08Å; V706-L722 HydrophobicContact CG1-CD2 3.66Å; L707-L722 HydrophobicContact CD1-CB 4.49Å; L707-L722 HydrophobicContact CD2-CB 4.04Å; L707-L722 HydrophobicContact CD2-CD1 4.28Å; L707-L722 HydrophobicContact CG-CB 4.28Å; L722-F734 PolarHBondContact O-N 2.76Å; L722-I741 HydrophobicContact CD2-CD1 3.36Å; L722-I741 HydrophobicContact CG-CD1 4.39Å; L722-L751 HydrophobicContact CD1-CD1 4.3Å; L722-L751 HydrophobicContact CD1-CD2 3.94Å; L722-L751 HydrophobicContact CD1-CG 3.81Å; L722-L751 HydrophobicContact CD2-CD1 4.24Å; L722-L751 HydrophobicContact CD2-CD2 4.06Å; L722-L751 HydrophobicContact CD2-CG 4.37Å; L722-L751 HydrophobicContact CG-CD1 3.9Å; L722-L751 HydrophobicContact CG-CD2 4.17Å; L722-L751 HydrophobicContact CG-CG 3.98Å; L722-F752 WeakPolarHBondContact CA-O 3.31Å; L722-A753 HydrophobicContact CD1-CB 4.43Å |
| 723 | V | 95.8 | Very high | 87 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 126.6 | -170.6 | -172 | 0 | 0 | 0 | 0 | 110.2 | I721 K731 V732 V733 F752 L759 L762 | I721-V723 HydrophobicContact CD1-CG2 4.01Å; I721-V723 HydrophobicContact CG1-CG2 4.16Å; V723-K731 HydrophobicContact CG1-CB 4.07Å; V723-K731 HydrophobicContact CG1-CG 4.49Å; V723-V732 CarbonylContact C-O 3.59Å; V723-V732 WeakPolarHBondContact CA-O 3.39Å; V723-V733 HydrophobicContact CG2-CG2 4.37Å; V723-F752 HydrophobicContact CB-CB 4.46Å; V723-F752 PolarHBondContact N-O 3.43Å; V723-F752 PolarHBondContact O-N 3.29Å; V723-L759 HydrophobicContact CG1-CD1 4.02Å; V723-L759 HydrophobicContact CG2-CD1 3.7Å; V723-L762 HydrophobicContact CB-CD1 4.11Å; V723-L762 HydrophobicContact CG1-CD1 4.08Å; V723-L762 HydrophobicContact CG2-CD1 4.26Å |
| 724 | G | 95.3 | Very high | 87.2 | Confident | 7 Ų | 7 | 50.6 Ų | 50.6 | 7% | 0.072 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 123.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | K731 V732 | G724-K731 WeakPolarHBondContact O-CA 3.48Å; G724-V732 PolarHBondContact N-O 2.84Å; G724-V732 PolarHBondContact O-N 3.25Å |
| 725 | L | 94.4 | Very high | 87.5 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 121.3 | 178.7 | -175.5 | 65.5 | 0 | 0 | 0 | 110.1 | E730 K731 G749 R750 F752 L762 V763 P764 Q768 | L725-E730 WeakPolarHBondContact CA-O 3.45Å; L725-K731 HydrophobicContact CD1-CG 3.59Å; L725-G749 WeakPolarHBondContact O-CA 3.42Å; L725-R750 PolarHBondContact N-O 3.31Å; L725-R750 PolarHBondContact O-N 3.19Å; L725-F752 HydrophobicContact CB-CD2 3.71Å; L725-F752 HydrophobicContact CB-CE2 3.73Å; L725-F752 HydrophobicContact CD2-CD2 4.05Å; L725-F752 HydrophobicContact CD2-CE2 3.51Å; L725-F752 HydrophobicContact CD2-CZ 3.85Å; L725-F752 HydrophobicContact CG-CE2 4.23Å; L725-L762 HydrophobicContact CD2-CB 4.45Å; L725-V763 VanDerWaalsContact CD2-C 3.46Å; L725-V763 WeakPolarHBondContact CD2-O 3.46Å; L725-P764 HydrophobicContact CD2-CG 4.43Å; L725-P764 HydrophobicContact CG-CG 4.48Å; L725-Q768 PolarHBondContact O-NE2 3.28Å |
| 726 | S | 92.5 | Very high | 88 | Confident | 14 Ų | 14 | 54.4 Ų | 54.4 | 10% | 0.098 | 31% | 0.31 | C | S | . | . | trans | -81.8 | 165.8 | 176.9 | 80.7 | 0 | 0 | 0 | 0 | 112.2 | A728 G729 E730 | S726-A728 PolarHBondContact O-N 3.31Å; S726-A728 PolarHBondContact OG-N 3.47Å; S726-G729 PolarHBondContact O-N 3.27Å; S726-E730 PolarHBondContact N-O 2.89Å; S726-E730 WeakPolarHBondContact OG-CB 3.17Å; S726-E730 PolarHBondContact OG-N 3.08Å; S726-E730 VanDerWaalsContact OG-N 3.13Å | ||
| 727 | S | 90.8 | Very high | 88.9 | Confident | 8 Ų | 8 | 57.8 Ų | 57.8 | 6% | 0.056 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -19.1 | 173.3 | 59.7 | 0 | 0 | 0 | 0 | 113.6 | G729 Q768 D1005 N1006 | S727-G729 VanDerWaalsContact C-N 3.32Å; S727-Q768 WeakPolarHBondContact CB-O 3.16Å; S727-D1005 VanDerWaalsContact CB-OD1 3.28Å; S727-D1005 WeakPolarHBondContact CB-OD1 3.4Å; S727-D1005 PolarHBondContact OG-OD1 3.21Å; S727-N1006 PolarHBondContact O-ND2 3.38Å; S727-N1006 PolarHBondContact OG-N 2.9Å |
| 728 | A | 88.7 | Confident | 90.3 | Very high | 30 Ų | 30 | 55.6 Ų | 55.6 | 25% | 0.248 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -3.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S726 E730 | S726-A728 PolarHBondContact O-N 3.31Å; S726-A728 PolarHBondContact OG-N 3.47Å; A728-E730 HydrophobicContact CB-CG 4.39Å |
| 729 | G | 87.9 | Confident | 91.5 | Very high | 27 Ų | 27 | 49.1 Ų | 49.1 | 28% | 0.278 | 27% | 0.271 | S | S | . | . | trans | 83 | 9.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S726 S727 | S726-G729 PolarHBondContact O-N 3.27Å; S727-G729 VanDerWaalsContact C-N 3.32Å | ||
| 730 | E | 89.3 | Confident | 91.9 | Very high | 99 Ų | 99 | 43.3 Ų | 43.3 | 46% | 0.463 | 24% | 0.24 | S | C | . | . | trans | -73.7 | 135.3 | 174.8 | -60 | 175.4 | 169.6 | 0 | 0 | 110 | L725 S726 A728 | L725-E730 WeakPolarHBondContact CA-O 3.45Å; S726-E730 PolarHBondContact N-O 2.89Å; S726-E730 WeakPolarHBondContact OG-CB 3.17Å; S726-E730 PolarHBondContact OG-N 3.08Å; S726-E730 VanDerWaalsContact OG-N 3.13Å; A728-E730 HydrophobicContact CB-CG 4.39Å | ||
| 731 | K | 91.6 | Very high | 91.9 | Very high | 72 Ų | 72 | 41.8 Ų | 41.8 | 31% | 0.313 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 125.6 | -172.6 | -65.2 | 165.7 | -169.9 | -174.7 | 0 | 109.6 | V723 G724 L725 L759 D760 L762 | V723-K731 HydrophobicContact CG1-CB 4.07Å; V723-K731 HydrophobicContact CG1-CG 4.49Å; G724-K731 WeakPolarHBondContact O-CA 3.48Å; L725-K731 HydrophobicContact CD1-CG 3.59Å; K731-L759 HydrophobicContact CD-CD1 4.41Å; K731-L759 WeakPolarHBondContact CD-O 3.4Å; K731-L759 WeakPolarHBondContact CE-O 3.41Å; K731-L759 PolarHBondContact NZ-O 2.67Å; K731-D760 VanDerWaalsContact NZ-C 3.28Å; K731-D760 PolarHBondContact NZ-O 2.95Å; K731-L762 WeakPolarHBondContact CE-O 3.39Å; K731-L762 PolarHBondContact NZ-O 2.82Å |
| 732 | V | 92.8 | Very high | 91.8 | Very high | 86 Ų | 86 | 41.1 Ų | 41.1 | 52% | 0.521 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 113.8 | 174.7 | 179.9 | 0 | 0 | 0 | 0 | 108.9 | V723 G724 | V723-V732 CarbonylContact C-O 3.59Å; V723-V732 WeakPolarHBondContact CA-O 3.39Å; G724-V732 PolarHBondContact N-O 2.84Å; G724-V732 PolarHBondContact O-N 3.25Å |
| 733 | V | 94.2 | Very high | 91.5 | Very high | 66 Ų | 66 | 41.3 Ų | 41.3 | 40% | 0.4 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 120.4 | 175.8 | -176 | 0 | 0 | 0 | 0 | 109 | I721 V723 L759 | I721-V733 HydrophobicContact CB-CG1 4.5Å; I721-V733 HydrophobicContact CD1-CG1 4.36Å; I721-V733 HydrophobicContact CD1-CG2 4.49Å; V723-V733 HydrophobicContact CG2-CG2 4.37Å; V733-L759 HydrophobicContact CG2-CD1 4.05Å; V733-L759 HydrophobicContact CG2-CD2 4.02Å |
| 734 | F | 93.3 | Very high | 91.2 | Very high | 28 Ų | 28 | 43.1 Ų | 43.1 | 12% | 0.123 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -82.4 | 144.6 | 178.7 | -65.6 | -75.7 | 0 | 0 | 0 | 111.7 | V703 L722 I741 L745 L751 | V703-F734 HydrophobicContact CG1-CB 4.41Å; V703-F734 HydrophobicContact CG2-CB 3.72Å; L722-F734 PolarHBondContact O-N 2.76Å; F734-I741 HydrophobicContact CD1-CB 4.31Å; F734-I741 HydrophobicContact CD1-CG2 3.76Å; F734-I741 HydrophobicContact CD2-CD1 4.2Å; F734-I741 HydrophobicContact CE1-CB 4.13Å; F734-I741 HydrophobicContact CE1-CG2 4Å; F734-I741 HydrophobicContact CE2-CD1 4.35Å; F734-I741 HydrophobicContact CG-CD1 4.46Å; F734-I741 HydrophobicContact CG-CG2 4.26Å; F734-I741 HydrophobicContact CZ-CB 4.35Å; F734-L745 HydrophobicContact CE2-CD2 4.36Å; F734-L745 HydrophobicContact CZ-CD2 4.22Å; F734-L751 HydrophobicContact CD2-CD1 3.99Å; F734-L751 HydrophobicContact CE2-CD1 3.59Å |
| 735 | K | 92.3 | Very high | 90.9 | Very high | 148 Ų | 148 | 43.8 Ų | 43.8 | 64% | 0.643 | 24% | 0.243 | S | C | * | . | P | Polyproline II helix | trans | -82.5 | 149.3 | 177.3 | -61.6 | 177 | -177.5 | 173.2 | 0 | 110 | V703 N737 D738 | V703-K735 VanDerWaalsContact CB-O 3.27Å; V703-K735 WeakPolarHBondContact CB-O 3.41Å; V703-K735 VanDerWaalsContact CG2-O 3.3Å; V703-K735 WeakPolarHBondContact CG2-O 3.33Å; K735-N737 PolarHBondContact O-N 2.97Å; K735-D738 PolarHBondContact N-OD2 3.24Å; K735-D738 WeakPolarHBondContact O-CB 3.33Å; K735-D738 PolarHBondContact O-N 2.65Å |
| 736 | P | 90.2 | Very high | 90.6 | Very high | 78 Ų | 78 | 45 Ų | 45 | 51% | 0.506 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -29.1 | -179.4 | -28.7 | 35.6 | 0 | 0 | 0 | 115.4 | R704 | R704-P736 PolarHBondContact N-O 2.91Š|
| 737 | N | 90.4 | Very high | 90.4 | Very high | 130 Ų | 130 | 45.7 Ų | 45.7 | 70% | 0.695 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -4.5 | -179.5 | -67.6 | -17.9 | 0 | 0 | 0 | 113.9 | K735 | K735-N737 PolarHBondContact O-N 2.97Š|
| 738 | D | 90.8 | Very high | 90.4 | Very high | 36 Ų | 36 | 46.3 Ų | 46.3 | 19% | 0.193 | 26% | 0.257 | C | S | . | . | trans | -67.3 | 141.2 | 176.2 | -62.7 | -19.1 | 0 | 0 | 0 | 109 | S702 V703 K735 I741 | S702-D738 CarbonylContact C-O 3.53Å; S702-D738 VanDerWaalsContact CA-O 3.28Å; S702-D738 WeakPolarHBondContact CA-O 3.4Å; V703-D738 HydrophobicContact CG2-CB 3.86Å; V703-D738 PolarHBondContact N-O 3.28Å; K735-D738 PolarHBondContact N-OD2 3.24Å; K735-D738 WeakPolarHBondContact O-CB 3.33Å; K735-D738 PolarHBondContact O-N 2.65Å; D738-I741 HydrophobicContact CB-CG2 3.89Å | ||
| 739 | V | 91.1 | Very high | 90.6 | Very high | 20 Ų | 20 | 45.1 Ų | 45.1 | 12% | 0.121 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -125 | 149.1 | -174.9 | -65 | 0 | 0 | 0 | 0 | 110.5 | I741 R814 | V739-I741 VanDerWaalsContact C-N 3.3Å; V739-I741 PolarHBondContact O-N 3.08Å; V739-R814 HydrophobicContact CG2-CB 4.1Å |
| 740 | S | 90.5 | Very high | 90.9 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.007 | 24% | 0.238 | C | C | . | . | trans | 55.9 | 42.2 | 175.6 | -145.8 | 0 | 0 | 0 | 0 | 114 | V699 S701 F742 S743 T820 | V699-S740 VanDerWaalsContact O-CA 3.25Å; V699-S740 WeakPolarHBondContact O-CA 3.42Å; V699-S740 WeakPolarHBondContact O-CB 3.27Å; V699-S740 PolarHBondContact O-OG 2.93Å; S701-S740 PolarHBondContact O-N 3.24Å; S701-S740 VanDerWaalsContact O-N 3.1Å; S740-F742 VanDerWaalsContact C-N 3.29Å; S740-F742 PolarHBondContact O-N 3.01Å; S740-S743 PolarHBondContact O-OG 3.29Å; S740-T820 WeakPolarHBondContact OG-CB 3.31Å; S740-T820 PolarHBondContact OG-OG1 3.46Å | ||
| 741 | I | 90.6 | Very high | 91.1 | Very high | 5 Ų | 5 | 40.1 Ų | 40.1 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -70.5 | -20.3 | -174.3 | 55.7 | 152.6 | 0 | 0 | 0 | 114.2 | V703 L722 F734 D738 V739 S743 T744 L751 | V703-I741 HydrophobicContact CG2-CD1 4.13Å; V703-I741 HydrophobicContact CG2-CG2 3.89Å; L722-I741 HydrophobicContact CD2-CD1 3.36Å; L722-I741 HydrophobicContact CG-CD1 4.39Å; F734-I741 HydrophobicContact CD1-CB 4.31Å; F734-I741 HydrophobicContact CD1-CG2 3.76Å; F734-I741 HydrophobicContact CD2-CD1 4.2Å; F734-I741 HydrophobicContact CE1-CB 4.13Å; F734-I741 HydrophobicContact CE1-CG2 4Å; F734-I741 HydrophobicContact CE2-CD1 4.35Å; F734-I741 HydrophobicContact CG-CD1 4.46Å; F734-I741 HydrophobicContact CG-CG2 4.26Å; F734-I741 HydrophobicContact CZ-CB 4.35Å; D738-I741 HydrophobicContact CB-CG2 3.89Å; V739-I741 VanDerWaalsContact C-N 3.3Å; V739-I741 PolarHBondContact O-N 3.08Å; I741-S743 VanDerWaalsContact C-N 3.27Å; I741-S743 PolarHBondContact O-N 3.05Å; I741-T744 WeakPolarHBondContact O-CB 3.23Å; I741-T744 PolarHBondContact O-N 3.11Å; I741-T744 PolarHBondContact O-OG1 3.44Å; I741-L751 HydrophobicContact CD1-CD1 3.88Å; I741-L751 HydrophobicContact CD1-CD2 3.9Å |
| 742 | F | 90.6 | Very high | 91.3 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -59.5 | -36.4 | -171.7 | -52.9 | -67.1 | 0 | 0 | 0 | 113.1 | F662 I681 F683 V697 V706 S740 T744 L751 | F662-F742 HydrophobicContact CE2-CB 4.3Å; F662-F742 HydrophobicContact CZ-CB 3.64Å; I681-F742 HydrophobicContact CD1-CB 4.37Å; I681-F742 HydrophobicContact CD1-CG 4.47Å; I681-F742 HydrophobicContact CG2-CD2 3.99Å; I681-F742 HydrophobicContact CG2-CE2 3.82Å; I681-F742 HydrophobicContact CG2-CG 4.47Å; I681-F742 HydrophobicContact CG2-CZ 4.18Å; F683-F742 HydrophobicContact CB-CD1 4.2Å; F683-F742 HydrophobicContact CB-CE1 4.11Å; F683-F742 AromaticContact CD1-CD1 3.85Å; F683-F742 HydrophobicContact CD1-CD1 3.85Å; F683-F742 HydrophobicContact CD1-CE1 4.13Å; F683-F742 HydrophobicContact CD2-CB 4.32Å; F683-F742 AromaticContact CD2-CD1 3.79Å; F683-F742 HydrophobicContact CD2-CD1 3.79Å; F683-F742 HydrophobicContact CD2-CG 4.29Å; F683-F742 HydrophobicContact CE1-CD1 4.17Å; F683-F742 HydrophobicContact CE2-CB 4.13Å; F683-F742 HydrophobicContact CE2-CD1 4.1Å; F683-F742 AromaticContact CG-CD1 3.64Å; F683-F742 HydrophobicContact CG-CD1 3.64Å; F683-F742 AromaticContact CG-CE1 3.99Å; F683-F742 HydrophobicContact CG-CE1 3.99Å; F683-F742 HydrophobicContact CZ-CD1 4.28Å; V697-F742 HydrophobicContact CG2-CE2 4.04Å; V697-F742 HydrophobicContact CG2-CZ 3.55Å; V706-F742 HydrophobicContact CG2-CE1 4.19Å; V706-F742 HydrophobicContact CG2-CZ 3.63Å; S740-F742 VanDerWaalsContact C-N 3.29Å; S740-F742 PolarHBondContact O-N 3.01Å; F742-T744 VanDerWaalsContact C-N 3.33Å; F742-L751 HydrophobicContact CD1-CD2 4.47Å; F742-L751 HydrophobicContact CE1-CD2 4.33Å |
| 743 | S | 88.4 | Confident | 91.4 | Very high | 5 Ų | 5 | 32.8 Ų | 32.8 | 4% | 0.035 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -83.6 | -7.3 | 179.1 | 51.7 | 0 | 0 | 0 | 0 | 113.9 | S740 I741 D825 | S740-S743 PolarHBondContact O-OG 3.29Å; I741-S743 VanDerWaalsContact C-N 3.27Å; I741-S743 PolarHBondContact O-N 3.05Å; S743-D825 PolarHBondContact OG-OD2 3.41Å |
| 744 | T | 88.8 | Confident | 91.3 | Very high | 37 Ų | 37 | 29.7 Ų | 29.7 | 23% | 0.227 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -90.3 | -6.3 | -176.9 | 71.6 | 0 | 0 | 0 | 0 | 113.7 | I741 F742 | I741-T744 WeakPolarHBondContact O-CB 3.23Å; I741-T744 PolarHBondContact O-N 3.11Å; I741-T744 PolarHBondContact O-OG1 3.44Å; F742-T744 VanDerWaalsContact C-N 3.33Å |
| 745 | L | 89.6 | Confident | 91.2 | Very high | 21 Ų | 21 | 31.9 Ų | 31.9 | 11% | 0.11 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -67.5 | 153.3 | 176.9 | -62.7 | 174.2 | 0 | 0 | 0 | 111.1 | F683 F734 L751 Q829 | F683-L745 HydrophobicContact CE1-CD1 4.31Å; F683-L745 HydrophobicContact CZ-CD1 3.76Å; F734-L745 HydrophobicContact CE2-CD2 4.36Å; F734-L745 HydrophobicContact CZ-CD2 4.22Å; L745-L751 HydrophobicContact CD1-CB 4.45Å; L745-L751 HydrophobicContact CD2-CD1 4.36Å; L745-Q829 PolarHBondContact O-NE2 2.71Å |
| 746 | S | 88.1 | Confident | 91 | Very high | 27 Ų | 27 | 33 Ų | 33 | 19% | 0.189 | 17% | 0.17 | C | C | . | . | trans | -62.5 | 168.6 | 168.5 | 76.7 | 0 | 0 | 0 | 0 | 110.9 | N748 G749 D1005 | S746-N748 VanDerWaalsContact C-N 3.3Å; S746-N748 PolarHBondContact O-N 3.21Å; S746-G749 PolarHBondContact O-N 2.85Å; S746-G749 WeakPolarHBondContact OG-CA 3.47Å; S746-G749 PolarHBondContact OG-N 2.92Å; S746-G749 VanDerWaalsContact OG-N 3.12Å; S746-D1005 PolarHBondContact OG-OD2 3.06Å | ||
| 747 | I | 89 | Confident | 91 | Very high | 29 Ų | 29 | 34.9 Ų | 34.9 | 15% | 0.149 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -48.2 | -176 | -59.8 | 158.6 | 0 | 0 | 0 | 111.5 | Q829 N832 E833 F836 V1003 D1005 | I747-Q829 HydrophobicContact CG1-CG 4.06Å; I747-N832 HydrophobicContact CD1-CB 3.94Å; I747-E833 HydrophobicContact CD1-CB 4.33Å; I747-F836 HydrophobicContact CD1-CD2 3.66Å; I747-F836 HydrophobicContact CD1-CE2 4.39Å; I747-F836 HydrophobicContact CD1-CG 4.5Å; I747-V1003 HydrophobicContact CB-CG2 4.47Å; I747-V1003 HydrophobicContact CD1-CG2 4.12Å; I747-V1003 HydrophobicContact CG2-CG2 3.71Å; I747-D1005 HydrophobicContact CB-CB 4.42Å; I747-D1005 HydrophobicContact CD1-CB 4.32Å |
| 748 | N | 91.1 | Very high | 91 | Very high | 22 Ų | 22 | 32.1 Ų | 32.1 | 12% | 0.118 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 17.6 | 175.1 | -61.9 | -41 | 0 | 0 | 0 | 112.8 | S746 Q768 V1003 D1005 | S746-N748 VanDerWaalsContact C-N 3.3Å; S746-N748 PolarHBondContact O-N 3.21Å; N748-Q768 HydrophobicContact CB-CB 4.41Å; N748-Q768 WeakPolarHBondContact CB-O 3.42Å; N748-Q768 WeakPolarHBondContact O-CG 3.48Å; N748-Q768 PolarHBondContact O-NE2 3.24Å; N748-V1003 PolarHBondContact ND2-O 2.67Å; N748-D1005 WeakPolarHBondContact CB-OD1 3.39Å; N748-D1005 PolarHBondContact N-OD2 3.33Å; N748-D1005 PolarHBondContact ND2-OD1 3Å |
| 749 | G | 91.9 | Very high | 90.9 | Very high | 5 Ų | 5 | 32.1 Ų | 32.1 | 5% | 0.052 | 16% | 0.158 | C | C | . | . | trans | -66.8 | 150.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | L725 S746 | L725-G749 WeakPolarHBondContact O-CA 3.42Å; S746-G749 PolarHBondContact O-N 2.85Å; S746-G749 WeakPolarHBondContact OG-CA 3.47Å; S746-G749 PolarHBondContact OG-N 2.92Å; S746-G749 VanDerWaalsContact OG-N 3.12Å | ||
| 750 | R | 93.5 | Very high | 90.8 | Very high | 19 Ų | 19 | 37.9 Ų | 37.9 | 7% | 0.072 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 153.7 | 177 | -65 | -68.3 | -177.7 | -87 | -1.2 | 110.4 | Y686 L725 F752 L765 Q768 | Y686-R750 HydrophobicContact CD2-CB 4.39Å; Y686-R750 HydrophobicContact CE2-CB 4.47Å; Y686-R750 HydrophobicContact CE2-CG 4.48Å; L725-R750 PolarHBondContact N-O 3.31Å; L725-R750 PolarHBondContact O-N 3.19Å; R750-F752 HydrophobicContact CB-CD2 4.44Å; R750-F752 HydrophobicContact CB-CE2 3.85Å; R750-L765 HydrophobicContact CB-CD1 4.49Å; R750-L765 HydrophobicContact CG-CD1 4Å; R750-Q768 VanDerWaalsContact CG-CD 3.4Å; R750-Q768 HydrophobicContact CG-CG 3.6Å |
| 751 | L | 95.2 | Very high | 90.9 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 130.5 | -178.4 | -160.9 | 68.6 | 0 | 0 | 0 | 110 | F683 V685 Y686 L722 F734 I741 F742 L745 | F683-L751 HydrophobicContact CD1-CB 4.47Å; F683-L751 HydrophobicContact CD1-CD2 4.24Å; F683-L751 HydrophobicContact CE1-CB 3.75Å; F683-L751 HydrophobicContact CE1-CD2 4.11Å; V685-L751 HydrophobicContact CG2-CD2 4.17Å; Y686-L751 PolarHBondContact N-O 2.92Å; L722-L751 HydrophobicContact CD1-CD1 4.3Å; L722-L751 HydrophobicContact CD1-CD2 3.94Å; L722-L751 HydrophobicContact CD1-CG 3.81Å; L722-L751 HydrophobicContact CD2-CD1 4.24Å; L722-L751 HydrophobicContact CD2-CD2 4.06Å; L722-L751 HydrophobicContact CD2-CG 4.37Å; L722-L751 HydrophobicContact CG-CD1 3.9Å; L722-L751 HydrophobicContact CG-CD2 4.17Å; L722-L751 HydrophobicContact CG-CG 3.98Å; F734-L751 HydrophobicContact CD2-CD1 3.99Å; F734-L751 HydrophobicContact CE2-CD1 3.59Å; I741-L751 HydrophobicContact CD1-CD1 3.88Å; I741-L751 HydrophobicContact CD1-CD2 3.9Å; F742-L751 HydrophobicContact CD1-CD2 4.47Å; F742-L751 HydrophobicContact CE1-CD2 4.33Å; L745-L751 HydrophobicContact CD1-CB 4.45Å; L745-L751 HydrophobicContact CD2-CD1 4.36Å |
| 752 | F | 95.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 142.7 | -179.3 | -74.8 | -100.6 | 0 | 0 | 0 | 110.9 | Y686 C687 L722 V723 L725 R750 L762 L765 | Y686-F752 VanDerWaalsContact CB-CE1 3.46Å; Y686-F752 HydrophobicContact CG-CE1 4.42Å; Y686-F752 HydrophobicContact CG-CZ 4.43Å; Y686-F752 CarbonylContact O-C 3.59Å; Y686-F752 WeakPolarHBondContact O-CA 3.28Å; C687-F752 WeakPolarHBondContact O-CE1 3.46Å; L722-F752 WeakPolarHBondContact CA-O 3.31Å; V723-F752 HydrophobicContact CB-CB 4.46Å; V723-F752 PolarHBondContact N-O 3.43Å; V723-F752 PolarHBondContact O-N 3.29Å; L725-F752 HydrophobicContact CB-CD2 3.71Å; L725-F752 HydrophobicContact CB-CE2 3.73Å; L725-F752 HydrophobicContact CD2-CD2 4.05Å; L725-F752 HydrophobicContact CD2-CE2 3.51Å; L725-F752 HydrophobicContact CD2-CZ 3.85Å; L725-F752 HydrophobicContact CG-CE2 4.23Å; R750-F752 HydrophobicContact CB-CD2 4.44Å; R750-F752 HydrophobicContact CB-CE2 3.85Å; F752-L762 HydrophobicContact CB-CD1 4.16Å; F752-L762 HydrophobicContact CB-CD2 4.36Å; F752-L762 HydrophobicContact CD1-CD2 3.76Å; F752-L762 HydrophobicContact CE1-CD2 4.36Å; F752-L762 HydrophobicContact CG-CD2 4.23Å; F752-L765 HydrophobicContact CZ-CD2 4.05Å; F752-L765 HydrophobicContact CZ-CG 4.06Å |
| 753 | A | 94.4 | Very high | 91 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 3% | 0.033 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 125.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | V685 Y686 V710 I721 L722 | V685-A753 HydrophobicContact CG1-CB 3.72Å; Y686-A753 PolarHBondContact O-N 2.82Å; V710-A753 HydrophobicContact CG1-CB 3.93Å; I721-A753 WeakPolarHBondContact O-CA 3.46Å; L722-A753 HydrophobicContact CD1-CB 4.43Å |
| 754 | C | 92.3 | Very high | 91.3 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.014 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 166.1 | -178.2 | 64.8 | 0 | 0 | 0 | 0 | 110.9 | C688 I721 Q758 L762 | C688-C754 WeakPolarHBondContact SG-CB 3.17Å; I721-C754 VanDerWaalsContact CG1-O 3.23Å; I721-C754 WeakPolarHBondContact CG1-O 3.5Å; I721-C754 PolarHBondContact N-O 2.63Å; I721-C754 PolarHBondContact O-N 3.26Å; I721-C754 VanDerWaalsContact O-N 3.11Å; C754-Q758 HydrophobicContact CB-CB 4.28Å; C754-L762 HydrophobicContact CB-CD2 4.43Å |
| 755 | Q | 90.5 | Very high | 91.4 | Very high | 73 Ų | 73 | 46.7 Ų | 46.7 | 34% | 0.341 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 156.6 | 168.1 | -69.4 | 179.9 | -14.3 | 0 | 0 | 110.6 | L720 D757 Q758 L759 | L720-Q755 HydrophobicContact CD2-CG 4.45Å; Q755-D757 VanDerWaalsContact C-N 3.26Å; Q755-D757 WeakPolarHBondContact CB-OD1 3.35Å; Q755-D757 PolarHBondContact O-N 2.84Å; Q755-Q758 HydrophobicContact CB-CG 4.36Å; Q755-Q758 WeakPolarHBondContact O-CB 3.32Å; Q755-Q758 PolarHBondContact O-N 2.66Å; Q755-L759 PolarHBondContact O-N 3.3Å |
| 756 | R | 89.4 | Confident | 91.4 | Very high | 173 Ų | 173 | 50.2 Ų | 50.2 | 65% | 0.653 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -62.4 | -31.4 | -174.1 | -165.4 | 176.5 | -174.2 | 104.4 | 3.2 | 113.6 | I721 Q758 L759 | I721-R756 HydrophobicContact CD1-CB 4.45Å; I721-R756 HydrophobicContact CD1-CG 4.45Å; R756-Q758 VanDerWaalsContact C-N 3.32Å; R756-L759 WeakPolarHBondContact O-CB 3.34Å |
| 757 | D | 89.9 | Confident | 91.3 | Very high | 117 Ų | 117 | 54.4 Ų | 54.4 | 63% | 0.626 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -72.2 | -22.6 | 175.4 | 65 | -31.6 | 0 | 0 | 0 | 113.4 | Q755 | Q755-D757 VanDerWaalsContact C-N 3.26Å; Q755-D757 WeakPolarHBondContact CB-OD1 3.35Å; Q755-D757 PolarHBondContact O-N 2.84Å |
| 758 | Q | 89.1 | Confident | 91.3 | Very high | 71 Ų | 71 | 53 Ų | 53 | 33% | 0.332 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -88.3 | -6.2 | 178.7 | -63 | 176.1 | -10 | 0 | 0 | 113.4 | C688 C754 Q755 R756 D760 V761 L762 | C688-Q758 PolarHBondContact SG-OE1 2.91Å; C754-Q758 HydrophobicContact CB-CB 4.28Å; Q755-Q758 HydrophobicContact CB-CG 4.36Å; Q755-Q758 WeakPolarHBondContact O-CB 3.32Å; Q755-Q758 PolarHBondContact O-N 2.66Å; R756-Q758 VanDerWaalsContact C-N 3.32Å; Q758-D760 VanDerWaalsContact C-N 3.25Å; Q758-D760 PolarHBondContact O-N 2.86Å; Q758-V761 PolarHBondContact O-N 2.69Å; Q758-L762 PolarHBondContact O-N 3.44Å |
| 759 | L | 89.8 | Confident | 90.9 | Very high | 36 Ų | 36 | 58 Ų | 58 | 19% | 0.188 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -53.9 | -41.8 | -176.1 | -178.7 | 63.4 | 0 | 0 | 0 | 112.4 | I721 V723 K731 V733 Q755 R756 V761 L762 | I721-L759 HydrophobicContact CD1-CB 4.49Å; I721-L759 HydrophobicContact CD1-CD1 4.18Å; I721-L759 HydrophobicContact CD1-CD2 4.49Å; V723-L759 HydrophobicContact CG1-CD1 4.02Å; V723-L759 HydrophobicContact CG2-CD1 3.7Å; K731-L759 HydrophobicContact CD-CD1 4.41Å; K731-L759 WeakPolarHBondContact CD-O 3.4Å; K731-L759 WeakPolarHBondContact CE-O 3.41Å; K731-L759 PolarHBondContact NZ-O 2.67Å; V733-L759 HydrophobicContact CG2-CD1 4.05Å; V733-L759 HydrophobicContact CG2-CD2 4.02Å; Q755-L759 PolarHBondContact O-N 3.3Å; R756-L759 WeakPolarHBondContact O-CB 3.34Å; L759-V761 VanDerWaalsContact C-N 3.29Å; L759-V761 PolarHBondContact O-N 3.4Å; L759-L762 HydrophobicContact CD1-CD1 4.35Å; L759-L762 PolarHBondContact O-N 2.93Å |
| 760 | D | 89.8 | Confident | 90.2 | Very high | 141 Ų | 141 | 59.4 Ų | 59.4 | 75% | 0.754 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -70.8 | -25.2 | -177.5 | -68.4 | -31.9 | 0 | 0 | 0 | 113 | K731 Q758 | K731-D760 VanDerWaalsContact NZ-C 3.28Å; K731-D760 PolarHBondContact NZ-O 2.95Å; Q758-D760 VanDerWaalsContact C-N 3.25Å; Q758-D760 PolarHBondContact O-N 2.86Å |
| 761 | V | 90.9 | Very high | 89.4 | Confident | 108 Ų | 108 | 61.4 Ų | 61.4 | 66% | 0.655 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -83.4 | -16.2 | -177.2 | -171.4 | 0 | 0 | 0 | 0 | 112.5 | Q758 L759 V763 | Q758-V761 PolarHBondContact O-N 2.69Å; L759-V761 VanDerWaalsContact C-N 3.29Å; L759-V761 PolarHBondContact O-N 3.4Å; V761-V763 PolarHBondContact O-N 2.88Å |
| 762 | L | 91.9 | Very high | 88 | Confident | 5 Ų | 5 | 66.7 Ų | 66.7 | 3% | 0.026 | 36% | 0.364 | C | S | . | . | trans | -57.8 | 128 | 177.7 | -69.9 | -178.8 | 0 | 0 | 0 | 111.9 | C688 V723 L725 K731 F752 C754 Q758 L759 | C688-L762 HydrophobicContact CB-CD2 4.25Å; C688-L762 VanDerWaalsContact SG-CD2 3.58Å; V723-L762 HydrophobicContact CB-CD1 4.11Å; V723-L762 HydrophobicContact CG1-CD1 4.08Å; V723-L762 HydrophobicContact CG2-CD1 4.26Å; L725-L762 HydrophobicContact CD2-CB 4.45Å; K731-L762 WeakPolarHBondContact CE-O 3.39Å; K731-L762 PolarHBondContact NZ-O 2.82Å; F752-L762 HydrophobicContact CB-CD1 4.16Å; F752-L762 HydrophobicContact CB-CD2 4.36Å; F752-L762 HydrophobicContact CD1-CD2 3.76Å; F752-L762 HydrophobicContact CE1-CD2 4.36Å; F752-L762 HydrophobicContact CG-CD2 4.23Å; C754-L762 HydrophobicContact CB-CD2 4.43Å; Q758-L762 PolarHBondContact O-N 3.44Å; L759-L762 HydrophobicContact CD1-CD1 4.35Å; L759-L762 PolarHBondContact O-N 2.93Å | ||
| 763 | V | 92.8 | Very high | 86.7 | Confident | 79 Ų | 79 | 73.4 Ų | 73.4 | 48% | 0.479 | 40% | 0.399 | S | S | . | . | trans | -128.5 | 146.5 | 176.7 | -65.3 | 0 | 0 | 0 | 0 | 111.1 | H690 L725 V761 | H690-V763 PolarHBondContact NE2-O 3.47Å; H690-V763 VanDerWaalsContact NE2-O 3.13Å; L725-V763 VanDerWaalsContact CD2-C 3.46Å; L725-V763 WeakPolarHBondContact CD2-O 3.46Å; V761-V763 PolarHBondContact O-N 2.88Å | ||
| 764 | P | 93.1 | Very high | 85.2 | Confident | 38 Ų | 38 | 74.6 Ų | 74.6 | 25% | 0.247 | 41% | 0.412 | C | S | . | . | trans | -58 | 150.2 | 179.4 | -25.4 | 35.2 | 0 | 0 | 0 | 113.3 | L725 | L725-P764 HydrophobicContact CD2-CG 4.43Å; L725-P764 HydrophobicContact CG-CG 4.48Å | ||
| 765 | L | 92.4 | Very high | 84.2 | Confident | 9 Ų | 9 | 76.1 Ų | 76.1 | 5% | 0.047 | 42% | 0.423 | C | S | . | . | trans | -76 | 154.1 | 172.7 | -50 | 170 | 0 | 0 | 0 | 110.6 | Y686 H690 R750 F752 E767 Q768 | Y686-L765 HydrophobicContact CD1-CD1 3.61Å; Y686-L765 HydrophobicContact CD1-CD2 4.11Å; Y686-L765 HydrophobicContact CD1-CG 4.49Å; Y686-L765 HydrophobicContact CD2-CD1 4.23Å; Y686-L765 HydrophobicContact CE1-CD1 3.33Å; Y686-L765 HydrophobicContact CE1-CD2 4.39Å; Y686-L765 HydrophobicContact CE2-CD1 4.01Å; Y686-L765 HydrophobicContact CG-CD1 4.05Å; H690-L765 HydrophobicContact CB-CD2 3.67Å; R750-L765 HydrophobicContact CB-CD1 4.49Å; R750-L765 HydrophobicContact CG-CD1 4Å; F752-L765 HydrophobicContact CZ-CD2 4.05Å; F752-L765 HydrophobicContact CZ-CG 4.06Å; L765-E767 PolarHBondContact O-N 3.07Å; L765-Q768 HydrophobicContact CB-CG 4.1Å; L765-Q768 WeakPolarHBondContact O-CB 3.47Å; L765-Q768 PolarHBondContact O-N 3.14Å | ||
| 766 | S | 89.1 | Confident | 83.2 | Confident | 96 Ų | 96 | 74 Ų | 74 | 67% | 0.671 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -57.7 | -32.2 | 173.9 | 58.4 | 0 | 0 | 0 | 0 | 113.1 | Q768 E769 | S766-Q768 PolarHBondContact O-N 2.97Å; S766-E769 PolarHBondContact O-N 2.95Å |
| 767 | E | 86.3 | Confident | 82.2 | Confident | 114 Ų | 114 | 69.3 Ų | 69.3 | 53% | 0.533 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -66.8 | -21 | 176.1 | -60.6 | 175.6 | -169 | 0 | 0 | 113.1 | L765 | L765-E767 PolarHBondContact O-N 3.07Š|
| 768 | Q | 88 | Confident | 81.5 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -81.6 | -17.2 | -180 | -59.4 | -174.8 | -103.7 | 0 | 0 | 112.8 | L725 S727 N748 R750 L765 S766 G770 | L725-Q768 PolarHBondContact O-NE2 3.28Å; S727-Q768 WeakPolarHBondContact CB-O 3.16Å; N748-Q768 HydrophobicContact CB-CB 4.41Å; N748-Q768 WeakPolarHBondContact CB-O 3.42Å; N748-Q768 WeakPolarHBondContact O-CG 3.48Å; N748-Q768 PolarHBondContact O-NE2 3.24Å; R750-Q768 VanDerWaalsContact CG-CD 3.4Å; R750-Q768 HydrophobicContact CG-CG 3.6Å; L765-Q768 HydrophobicContact CB-CG 4.1Å; L765-Q768 WeakPolarHBondContact O-CB 3.47Å; L765-Q768 PolarHBondContact O-N 3.14Å; S766-Q768 PolarHBondContact O-N 2.97Å; Q768-G770 PolarHBondContact O-N 2.89Å |
| 769 | E | 83.4 | Confident | 81.2 | Confident | 127 Ų | 127 | 65.7 Ų | 65.7 | 59% | 0.593 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -70.7 | -14.9 | -179.1 | -61.5 | -171.6 | 162.3 | 0 | 0 | 112.9 | S766 | S766-E769 PolarHBondContact O-N 2.95Š|
| 770 | G | 78 | Confident | 80.8 | Confident | 34 Ų | 34 | 68.3 Ų | 68.3 | 35% | 0.351 | 41% | 0.406 | S | S | . | . | trans | 85 | -159.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q768 | Q768-G770 PolarHBondContact O-N 2.89Š| ||
| 771 | L | 75.4 | Confident | 80.6 | Confident | 62 Ų | 62 | 67.8 Ų | 67.8 | 33% | 0.325 | 40% | 0.402 | S | S | . | . | trans | -75.8 | 136.8 | -177.4 | -72.1 | 174.7 | 0 | 0 | 0 | 112.3 | S1002 | L771-S1002 WeakPolarHBondContact CD1-O 3.3Š| ||
| 772 | S | 66.4 | Low | 80.5 | Confident | 112 Ų | 112 | 63.4 Ų | 63.4 | 78% | 0.783 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -88.8 | -19.8 | 170.2 | 58.5 | 0 | 0 | 0 | 0 | 113.9 | ||
| 773 | L | 68.3 | Low | 80.5 | Confident | 141 Ų | 141 | 65.5 Ų | 65.5 | 74% | 0.738 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -127.2 | 135.3 | 174.9 | -115.3 | 94.9 | 0 | 0 | 0 | 110.7 | ||
| 774 | G | 62.5 | Low | 80.6 | Confident | 28 Ų | 28 | 62.5 Ų | 62.5 | 29% | 0.289 | 37% | 0.372 | S | S | . | . | trans | -70.5 | 155.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L776 | G774-L776 PolarHBondContact O-N 2.83Š| ||
| 775 | S | 71.1 | Confident | 80.6 | Confident | 35 Ų | 35 | 65 Ų | 65 | 25% | 0.245 | 38% | 0.379 | C | S | . | . | trans | -86.2 | 13.9 | -179.7 | 71.2 | 0 | 0 | 0 | 0 | 113.9 | A777 N778 F779 E841 Y997 | S775-A777 VanDerWaalsContact C-N 3.29Å; S775-A777 PolarHBondContact O-N 3.02Å; S775-N778 PolarHBondContact O-N 3.32Å; S775-N778 VanDerWaalsContact O-N 3.13Å; S775-F779 PolarHBondContact O-N 2.97Å; S775-E841 WeakPolarHBondContact CB-OE1 3.36Å; S775-E841 PolarHBondContact N-OE1 3.4Å; S775-E841 VanDerWaalsContact N-OE1 3.08Å; S775-E841 PolarHBondContact OG-OE1 3Å; S775-Y997 WeakPolarHBondContact OG-CE2 3.48Å; S775-Y997 PolarHBondContact OG-OH 3.33Å | ||
| 776 | L | 68.8 | Low | 80.6 | Confident | 29 Ų | 29 | 66.4 Ų | 66.4 | 15% | 0.152 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -49.3 | -39.6 | -167.3 | -174.2 | 60.2 | 0 | 0 | 0 | 115.2 | G774 N778 F779 E780 C845 K850 L854 | G774-L776 PolarHBondContact O-N 2.83Å; L776-N778 VanDerWaalsContact C-N 3.31Å; L776-N778 PolarHBondContact O-N 2.97Å; L776-F779 PolarHBondContact O-N 2.88Å; L776-E780 VanDerWaalsContact O-CB 3.25Å; L776-E780 WeakPolarHBondContact O-CB 3.35Å; L776-E780 PolarHBondContact O-N 3.24Å; L776-C845 HydrophobicContact CD2-CB 4.46Å; L776-K850 HydrophobicContact CD2-CB 4.44Å; L776-K850 HydrophobicContact CD2-CD 4.04Å; L776-L854 HydrophobicContact CD1-CD1 3.83Å; L776-L854 HydrophobicContact CD1-CD2 3.53Å; L776-L854 HydrophobicContact CD1-CG 3.82Å |
| 777 | A | 69.3 | Low | 80.8 | Confident | 74 Ų | 74 | 61.8 Ų | 61.8 | 61% | 0.612 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62.3 | -36.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113 | S775 | S775-A777 VanDerWaalsContact C-N 3.29Å; S775-A777 PolarHBondContact O-N 3.02Å |
| 778 | N | 75 | Confident | 81.3 | Confident | 111 Ų | 111 | 56.4 Ų | 56.4 | 59% | 0.594 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -84.1 | -42 | 178 | -68.7 | -15.5 | 0 | 0 | 0 | 110.9 | S775 L776 E780 L781 M782 | S775-N778 PolarHBondContact O-N 3.32Å; S775-N778 VanDerWaalsContact O-N 3.13Å; L776-N778 VanDerWaalsContact C-N 3.31Å; L776-N778 PolarHBondContact O-N 2.97Å; N778-E780 VanDerWaalsContact C-N 3.34Å; N778-E780 PolarHBondContact O-N 3.13Å; N778-L781 PolarHBondContact O-N 2.92Å; N778-M782 WeakPolarHBondContact O-CG 3.42Å |
| 779 | F | 83.5 | Confident | 81.6 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.6 | -36 | -178.5 | 179.1 | -128.1 | 0 | 0 | 0 | 112.9 | S775 L776 L781 M782 V787 W837 L854 K857 F858 I861 Y997 | S775-F779 PolarHBondContact O-N 2.97Å; L776-F779 PolarHBondContact O-N 2.88Å; F779-L781 VanDerWaalsContact C-N 3.26Å; F779-L781 PolarHBondContact O-N 3.43Å; F779-M782 PolarHBondContact O-N 3.42Å; F779-V787 HydrophobicContact CE2-CG1 4.3Å; F779-V787 HydrophobicContact CE2-CG2 4.13Å; F779-W837 HydrophobicContact CD2-CZ2 4.08Å; F779-W837 HydrophobicContact CE1-CZ2 4.07Å; F779-W837 AromaticContact CE2-CH2 3.83Å; F779-W837 HydrophobicContact CE2-CH2 3.83Å; F779-W837 AromaticContact CE2-CZ2 3.42Å; F779-W837 HydrophobicContact CE2-CZ2 3.42Å; F779-W837 VanDerWaalsContact CE2-CZ2 3.42Å; F779-W837 AromaticContact CZ-CH2 3.7Å; F779-W837 HydrophobicContact CZ-CH2 3.7Å; F779-W837 AromaticContact CZ-CZ2 3.4Å; F779-W837 HydrophobicContact CZ-CZ2 3.4Å; F779-W837 VanDerWaalsContact CZ-CZ2 3.4Å; F779-L854 HydrophobicContact CD1-CD2 3.95Å; F779-L854 HydrophobicContact CE1-CD2 3.84Å; F779-K857 HydrophobicContact CD1-CD 4.18Å; F779-K857 HydrophobicContact CE1-CD 3.66Å; F779-K857 HydrophobicContact CE2-CD 4.31Å; F779-K857 HydrophobicContact CZ-CD 3.74Å; F779-K857 VanDerWaalsContact CZ-CE 3.49Å; F779-K857 HydrophobicContact CZ-CG 4.34Å; F779-K857 WeakPolarHBondContact O-CE 3.45Å; F779-K857 PolarHBondContact O-NZ 2.8Å; F779-F858 AromaticContact CE1-CE1 3.91Å; F779-F858 HydrophobicContact CE1-CE1 3.91Å; F779-F858 HydrophobicContact CE1-CE2 4.48Å; F779-F858 AromaticContact CE1-CZ 3.79Å; F779-F858 HydrophobicContact CE1-CZ 3.79Å; F779-F858 HydrophobicContact CZ-CD1 4.42Å; F779-F858 AromaticContact CZ-CE1 3.82Å; F779-F858 HydrophobicContact CZ-CE1 3.82Å; F779-F858 HydrophobicContact CZ-CZ 4.19Å; F779-I861 HydrophobicContact CE2-CD1 3.96Å; F779-I861 HydrophobicContact CZ-CD1 3.6Å; F779-Y997 HydrophobicContact CB-CE1 4.46Å; F779-Y997 AromaticContact CD2-CE1 3.63Å; F779-Y997 HydrophobicContact CD2-CE1 3.63Å; F779-Y997 AromaticContact CD2-CZ 3.95Å; F779-Y997 HydrophobicContact CE2-CE1 4.23Å; F779-Y997 HydrophobicContact CG-CE1 4.28Å |
| 780 | E | 80.8 | Confident | 82 | Confident | 92 Ų | 92 | 52 Ų | 52 | 43% | 0.43 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.4 | -40.1 | 179.2 | -173.8 | 168.4 | -163.3 | 0 | 0 | 111.8 | L776 N778 M782 K857 | L776-E780 VanDerWaalsContact O-CB 3.25Å; L776-E780 WeakPolarHBondContact O-CB 3.35Å; L776-E780 PolarHBondContact O-N 3.24Å; N778-E780 VanDerWaalsContact C-N 3.34Å; N778-E780 PolarHBondContact O-N 3.13Å; E780-M782 PolarHBondContact O-N 3.29Å; E780-K857 PolarHBondContact O-NZ 3.18Å |
| 781 | L | 84.8 | Confident | 82.8 | Confident | 130 Ų | 130 | 50.4 Ų | 50.4 | 68% | 0.681 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -73.6 | -22.3 | -177.8 | -62.1 | 173.1 | 0 | 0 | 0 | 114.2 | N778 F779 | N778-L781 PolarHBondContact O-N 2.92Å; F779-L781 VanDerWaalsContact C-N 3.26Å; F779-L781 PolarHBondContact O-N 3.43Å |
| 782 | M | 90 | Very high | 83.8 | Confident | 16 Ų | 16 | 47.5 Ų | 47.5 | 8% | 0.079 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -75.1 | 139.7 | -178.9 | -58.3 | 178.9 | 177.8 | 0 | 0 | 111.1 | N778 F779 E780 V787 K857 V994 Y997 | N778-M782 WeakPolarHBondContact O-CG 3.42Å; F779-M782 PolarHBondContact O-N 3.42Å; E780-M782 PolarHBondContact O-N 3.29Å; M782-V787 HydrophobicContact CB-CG2 3.79Å; M782-V787 HydrophobicContact SD-CG2 4.37Å; M782-K857 PolarHBondContact O-NZ 2.91Å; M782-V994 HydrophobicContact CB-CG2 4.05Å; M782-V994 HydrophobicContact CE-CG2 4.41Å; M782-V994 HydrophobicContact CG-CG2 3.74Å; M782-V994 HydrophobicContact SD-CB 4.29Å; M782-V994 HydrophobicContact SD-CG1 4.27Å; M782-V994 HydrophobicContact SD-CG2 3.9Å; M782-Y997 HydrophobicContact CE-CD1 4.28Å; M782-Y997 HydrophobicContact CE-CG 3.95Å; M782-Y997 HydrophobicContact SD-CD1 3.8Å; M782-Y997 HydrophobicContact SD-CE1 4.38Å; M782-Y997 HydrophobicContact SD-CG 4.09Å |
| 783 | S | 91.6 | Very high | 85 | Confident | 48 Ų | 48 | 45.5 Ų | 45.5 | 34% | 0.336 | 25% | 0.253 | S | S | . | . | trans | -72 | 144.7 | 176.9 | 93.7 | 0 | 0 | 0 | 0 | 111.2 | K785 D786 V787 | S783-K785 PolarHBondContact O-N 3.43Å; S783-D786 VanDerWaalsContact CB-OD2 3.31Å; S783-D786 WeakPolarHBondContact CB-OD2 3.41Å; S783-D786 PolarHBondContact O-N 2.84Å; S783-D786 WeakPolarHBondContact OG-CB 3.24Å; S783-D786 PolarHBondContact OG-N 3.48Å; S783-D786 PolarHBondContact OG-OD2 3.4Å; S783-V787 WeakPolarHBondContact O-CG2 3.44Å; S783-V787 PolarHBondContact O-N 3.17Å; S783-V787 VanDerWaalsContact O-N 3.11Å | ||
| 784 | S | 95 | Very high | 86.2 | Confident | 16 Ų | 16 | 39.4 Ų | 39.4 | 11% | 0.112 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.7 | -31.2 | 176.5 | -64 | 0 | 0 | 0 | 0 | 112.5 | A788 | S784-A788 WeakPolarHBondContact O-CB 3.4Å; S784-A788 PolarHBondContact O-N 3.05Å; S784-A788 VanDerWaalsContact O-N 3.15Å |
| 785 | K | 93.3 | Very high | 87.8 | Confident | 91 Ų | 91 | 38.1 Ų | 38.1 | 40% | 0.396 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -72.9 | -43.9 | 179.1 | -172.7 | 175.8 | 178.9 | 176.6 | 0 | 111.4 | S783 A788 Y789 Y868 | S783-K785 PolarHBondContact O-N 3.43Å; K785-A788 PolarHBondContact O-N 3.39Å; K785-Y789 WeakPolarHBondContact O-CB 3.34Å; K785-Y789 PolarHBondContact O-N 3.4Å; K785-Y868 WeakPolarHBondContact CE-OH 2.8Å; K785-Y868 WeakPolarHBondContact CG-OH 3.26Å |
| 786 | D | 91.5 | Very high | 89 | Confident | 38 Ų | 38 | 36.8 Ų | 36.8 | 20% | 0.203 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.3 | -42.6 | 179 | -59.7 | -33.4 | 0 | 0 | 0 | 111.1 | S783 Y789 H790 P985 V994 | S783-D786 VanDerWaalsContact CB-OD2 3.31Å; S783-D786 WeakPolarHBondContact CB-OD2 3.41Å; S783-D786 PolarHBondContact O-N 2.84Å; S783-D786 WeakPolarHBondContact OG-CB 3.24Å; S783-D786 PolarHBondContact OG-N 3.48Å; S783-D786 PolarHBondContact OG-OD2 3.4Å; D786-Y789 PolarHBondContact O-N 3.32Å; D786-H790 WeakPolarHBondContact O-CB 3.4Å; D786-H790 PolarHBondContact O-CD2 3.49Å; D786-H790 PolarHBondContact O-N 3.33Å; D786-P985 WeakPolarHBondContact OD1-CB 3.32Å; D786-P985 WeakPolarHBondContact OD1-CG 3.45Å; D786-V994 HydrophobicContact CB-CG1 4.31Å |
| 787 | V | 93.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.6 | -48.4 | 175 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | F779 M782 S783 Y789 M791 W837 I861 V994 V998 | F779-V787 HydrophobicContact CE2-CG1 4.3Å; F779-V787 HydrophobicContact CE2-CG2 4.13Å; M782-V787 HydrophobicContact CB-CG2 3.79Å; M782-V787 HydrophobicContact SD-CG2 4.37Å; S783-V787 WeakPolarHBondContact O-CG2 3.44Å; S783-V787 PolarHBondContact O-N 3.17Å; S783-V787 VanDerWaalsContact O-N 3.11Å; V787-Y789 PolarHBondContact O-N 3.07Å; V787-M791 HydrophobicContact CG1-CE 3.88Å; V787-M791 WeakPolarHBondContact O-CB 3.5Å; V787-M791 PolarHBondContact O-N 3Å; V787-W837 HydrophobicContact CG1-CH2 4.12Å; V787-I861 HydrophobicContact CB-CD1 4.36Å; V787-I861 HydrophobicContact CB-CG1 4.48Å; V787-I861 HydrophobicContact CG1-CD1 3.95Å; V787-I861 HydrophobicContact CG1-CG1 4.36Å; V787-I861 HydrophobicContact CG1-CG2 4.42Å; V787-V994 HydrophobicContact CG2-CG1 4.01Å; V787-V998 HydrophobicContact CG1-CG2 4.22Å |
| 788 | A | 96.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.7 | -37.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | S784 K785 T792 I861 H864 Y868 | S784-A788 WeakPolarHBondContact O-CB 3.4Å; S784-A788 PolarHBondContact O-N 3.05Å; S784-A788 VanDerWaalsContact O-N 3.15Å; K785-A788 PolarHBondContact O-N 3.39Å; A788-T792 WeakPolarHBondContact O-CB 3.19Å; A788-T792 PolarHBondContact O-N 2.87Å; A788-T792 PolarHBondContact O-OG1 3.29Å; A788-I861 HydrophobicContact CB-CG2 4.33Å; A788-H864 HydrophobicContact CB-CB 3.48Å; A788-H864 VanDerWaalsContact CB-CB 3.48Å; A788-Y868 HydrophobicContact CB-CD2 4.35Å; A788-Y868 HydrophobicContact CB-CE2 4.19Å |
| 789 | Y | 94.1 | Very high | 92.3 | Very high | 28 Ų | 28 | 27.5 Ų | 27.5 | 11% | 0.11 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.9 | -52.4 | 176.2 | 174.5 | -93.7 | 0 | 0 | 0 | 111.2 | K785 D786 V787 M791 T792 F793 F980 P982 P985 | K785-Y789 WeakPolarHBondContact O-CB 3.34Å; K785-Y789 PolarHBondContact O-N 3.4Å; D786-Y789 PolarHBondContact O-N 3.32Å; V787-Y789 PolarHBondContact O-N 3.07Å; Y789-M791 VanDerWaalsContact C-N 3.3Å; Y789-M791 PolarHBondContact O-N 3.14Å; Y789-T792 PolarHBondContact O-N 3.38Å; Y789-F793 WeakPolarHBondContact O-CB 3.42Å; Y789-F793 PolarHBondContact O-N 3.5Å; Y789-F980 HydrophobicContact CE2-CE1 4.47Å; Y789-P982 HydrophobicContact CD2-CG 4.3Å; Y789-P982 HydrophobicContact CE2-CG 3.96Å; Y789-P985 HydrophobicContact CD1-CG 4.06Å; Y789-P985 HydrophobicContact CE1-CG 4.48Å; Y789-P985 HydrophobicContact CG-CG 4.15Å |
| 790 | H | 91.9 | Very high | 92.8 | Very high | 7 Ų | 7 | 31.9 Ų | 31.9 | 3% | 0.032 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.5 | -34.3 | 179.3 | -76.5 | -56.8 | 0 | 0 | 0 | 112.9 | D786 F793 Y794 H991 V994 W995 V998 | D786-H790 WeakPolarHBondContact O-CB 3.4Å; D786-H790 PolarHBondContact O-CD2 3.49Å; D786-H790 PolarHBondContact O-N 3.33Å; H790-F793 PolarHBondContact O-N 3.39Å; H790-Y794 WeakPolarHBondContact O-CB 3.42Å; H790-Y794 PolarHBondContact O-N 2.91Å; H790-H991 AromaticContact CE1-CD2 3.94Å; H790-H991 AromaticContact CE1-CE1 3.26Å; H790-H991 PolarHBondContact CE1-CE1 3.08Å; H790-H991 AromaticContact CE1-ND1 3.78Å; H790-H991 AromaticContact CE1-NE2 3.35Å; H790-H991 PolarHBondContact CE1-NE2 3.43Å; H790-H991 VanDerWaalsContact CE1-NE2 3.35Å; H790-H991 AromaticContact NE2-CD2 3.49Å; H790-H991 PolarHBondContact NE2-CD2 3.13Å; H790-H991 AromaticContact NE2-CE1 3.58Å; H790-H991 AromaticContact NE2-CG 3.77Å; H790-H991 AromaticContact NE2-ND1 3.8Å; H790-H991 AromaticContact NE2-NE2 3.37Å; H790-H991 PolarHBondContact NE2-NE2 2.85Å; H790-V994 HydrophobicContact CB-CG1 4.44Å; H790-W995 AromaticContact ND1-CD1 3.76Å; H790-V998 HydrophobicContact CB-CB 4.42Å; H790-V998 HydrophobicContact CB-CG1 4.45Å; H790-V998 HydrophobicContact CB-CG2 4.24Å |
| 791 | M | 95 | Very high | 93.4 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.1 | -48 | 173.7 | -172.3 | 178.7 | -54.8 | 0 | 0 | 110.5 | V787 Y789 F793 Y794 D795 I834 W837 I861 A873 V998 | V787-M791 HydrophobicContact CG1-CE 3.88Å; V787-M791 WeakPolarHBondContact O-CB 3.5Å; V787-M791 PolarHBondContact O-N 3Å; Y789-M791 VanDerWaalsContact C-N 3.3Å; Y789-M791 PolarHBondContact O-N 3.14Å; M791-F793 VanDerWaalsContact C-N 3.34Å; M791-F793 PolarHBondContact O-N 2.96Å; M791-Y794 PolarHBondContact O-N 3.26Å; M791-D795 WeakPolarHBondContact O-CB 3.46Å; M791-D795 PolarHBondContact O-N 3.39Å; M791-I834 HydrophobicContact CG-CD1 4.07Å; M791-I834 HydrophobicContact SD-CD1 3.93Å; M791-I834 HydrophobicContact SD-CG1 4.35Å; M791-I834 HydrophobicContact SD-CG2 4.23Å; M791-W837 HydrophobicContact CE-CH2 3.98Å; M791-W837 HydrophobicContact CE-CZ3 3.66Å; M791-I861 HydrophobicContact CE-CG2 4.27Å; M791-A873 HydrophobicContact CG-CB 4.16Å; M791-A873 HydrophobicContact SD-CB 3.73Å; M791-V998 HydrophobicContact CB-CG1 3.92Å; M791-V998 HydrophobicContact CG-CG1 4.46Å |
| 792 | T | 96.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.4 | -39.8 | 177.4 | -55.8 | 0 | 0 | 0 | 0 | 112.4 | A788 Y789 D795 W796 N870 F980 | A788-T792 WeakPolarHBondContact O-CB 3.19Å; A788-T792 PolarHBondContact O-N 2.87Å; A788-T792 PolarHBondContact O-OG1 3.29Å; Y789-T792 PolarHBondContact O-N 3.38Å; T792-D795 PolarHBondContact O-N 3.07Å; T792-W796 WeakPolarHBondContact O-CB 3.37Å; T792-W796 PolarHBondContact O-N 3.45Å; T792-N870 WeakPolarHBondContact CA-ND2 3.5Å; T792-N870 HydrophobicContact CG2-CB 3.7Å; T792-N870 PolarHBondContact OG1-ND2 2.63Å; T792-F980 HydrophobicContact CG2-CD2 4.32Å; T792-F980 HydrophobicContact CG2-CE1 3.91Å; T792-F980 HydrophobicContact CG2-CE2 3.67Å; T792-F980 HydrophobicContact CG2-CZ 3.41Å; T792-F980 VanDerWaalsContact CG2-CZ 3.41Å |
| 793 | F | 92.9 | Very high | 94 | Very high | 71 Ų | 71 | 23.1 Ų | 23.1 | 31% | 0.311 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -63.1 | -45.1 | 175.9 | -170.3 | -93.7 | 0 | 0 | 0 | 111.8 | Y789 H790 M791 W796 E797 | Y789-F793 WeakPolarHBondContact O-CB 3.42Å; Y789-F793 PolarHBondContact O-N 3.5Å; H790-F793 PolarHBondContact O-N 3.39Å; M791-F793 VanDerWaalsContact C-N 3.34Å; M791-F793 PolarHBondContact O-N 2.96Å; F793-W796 PolarHBondContact O-N 3.09Å; F793-E797 HydrophobicContact CE1-CG 4.4Å; F793-E797 WeakPolarHBondContact CE1-OE1 3.24Å; F793-E797 PolarHBondContact O-N 2.96Å; F793-E797 VanDerWaalsContact O-N 3.13Å |
| 794 | Y | 93.1 | Very high | 94.2 | Very high | 13 Ų | 13 | 21.6 Ų | 21.6 | 5% | 0.051 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.9 | -42 | 177.8 | -178.3 | -133 | 0 | 0 | 0 | 112.4 | R672 H790 M791 W796 E797 L798 R999 | R672-Y794 HydrophobicContact CG-CE2 3.86Å; R672-Y794 PolarHBondContact NH2-OH 2.84Å; H790-Y794 WeakPolarHBondContact O-CB 3.42Å; H790-Y794 PolarHBondContact O-N 2.91Å; M791-Y794 PolarHBondContact O-N 3.26Å; Y794-W796 VanDerWaalsContact C-N 3.29Å; Y794-W796 PolarHBondContact O-N 3.47Å; Y794-E797 WeakPolarHBondContact O-CB 3.45Å; Y794-E797 PolarHBondContact O-N 3.4Å; Y794-E797 VanDerWaalsContact O-N 3.09Å; Y794-L798 HydrophobicContact CD1-CD1 4.35Å; Y794-L798 HydrophobicContact CE1-CD1 3.91Å; Y794-L798 HydrophobicContact CE2-CD1 4.24Å; Y794-L798 HydrophobicContact CE2-CD2 4.23Å; Y794-L798 HydrophobicContact CE2-CG 4.07Å; Y794-L798 PolarHBondContact O-N 3.07Å; Y794-R999 HydrophobicContact CD1-CG 4.04Å; Y794-R999 HydrophobicContact CD2-CG 3.95Å; Y794-R999 HydrophobicContact CE1-CG 4.29Å; Y794-R999 HydrophobicContact CE2-CG 4.24Å; Y794-R999 HydrophobicContact CG-CG 3.86Å |
| 795 | D | 96.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.9 | -36.6 | 175.9 | -65.6 | -14.9 | 0 | 0 | 0 | 111.3 | M791 T792 L798 F799 F827 R830 N870 A873 I932 | M791-D795 WeakPolarHBondContact O-CB 3.46Å; M791-D795 PolarHBondContact O-N 3.39Å; T792-D795 PolarHBondContact O-N 3.07Å; D795-L798 PolarHBondContact O-N 2.94Å; D795-F799 VanDerWaalsContact O-CB 3.22Å; D795-F799 WeakPolarHBondContact O-CB 3.37Å; D795-F799 PolarHBondContact O-N 3.48Å; D795-F827 HydrophobicContact CB-CE2 4.22Å; D795-R830 WeakPolarHBondContact OD1-CG 3.3Å; D795-R830 IonicContact OD1-NE 3.78Å; D795-R830 PolarHBondContact OD1-NE 2.85Å; D795-R830 VanDerWaalsContact OD1-NE 3.13Å; D795-N870 PolarHBondContact OD2-ND2 2.96Å; D795-A873 WeakPolarHBondContact OD2-CB 3.49Å; D795-I932 HydrophobicContact CB-CD1 3.72Å |
| 796 | W | 95.6 | Very high | 94.1 | Very high | 7 Ų | 7 | 16.6 Ų | 16.6 | 3% | 0.027 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.4 | -38.7 | 172 | -92 | 114.3 | 0 | 0 | 0 | 112.6 | T792 F793 Y794 F799 H800 P930 V931 I932 R976 F980 | T792-W796 WeakPolarHBondContact O-CB 3.37Å; T792-W796 PolarHBondContact O-N 3.45Å; F793-W796 PolarHBondContact O-N 3.09Å; Y794-W796 VanDerWaalsContact C-N 3.29Å; Y794-W796 PolarHBondContact O-N 3.47Å; W796-F799 AromaticContact CE3-CD1 3.84Å; W796-F799 HydrophobicContact CE3-CD1 3.84Å; W796-F799 HydrophobicContact CH2-CD1 4.29Å; W796-F799 HydrophobicContact CH2-CE1 4.35Å; W796-F799 AromaticContact CZ3-CD1 3.63Å; W796-F799 HydrophobicContact CZ3-CD1 3.63Å; W796-F799 HydrophobicContact CZ3-CE1 4.01Å; W796-F799 PolarHBondContact O-N 3.03Å; W796-H800 AromaticContact CE3-CE1 3.14Å; W796-H800 AromaticContact CE3-ND1 3.45Å; W796-H800 AromaticContact CZ3-CE1 3.57Å; W796-H800 WeakPolarHBondContact O-CB 3.39Å; W796-H800 PolarHBondContact O-N 3.13Å; W796-H800 PolarHBondContact O-ND1 2.76Å; W796-P930 HydrophobicContact CH2-CB 3.8Å; W796-P930 HydrophobicContact CZ2-CB 3.48Å; W796-P930 VanDerWaalsContact CZ2-CB 3.48Å; W796-V931 WeakPolarHBondContact CH2-O 3.42Å; W796-I932 HydrophobicContact CB-CD1 4.45Å; W796-I932 HydrophobicContact CD2-CD1 3.94Å; W796-I932 HydrophobicContact CD2-CG1 3.87Å; W796-I932 VanDerWaalsContact CE2-CG1 3.5Å; W796-I932 HydrophobicContact CE3-CG1 4.38Å; W796-I932 HydrophobicContact CG-CD1 3.8Å; W796-I932 HydrophobicContact CG-CG1 4.26Å; W796-I932 HydrophobicContact CH2-CG1 4.36Å; W796-I932 HydrophobicContact CZ2-CG1 3.74Å; W796-R976 HydrophobicContact CH2-CB 4.39Å; W796-R976 HydrophobicContact CZ3-CB 3.88Å; W796-F980 VanDerWaalsContact CD1-CB 3.47Å; W796-F980 AromaticContact CD1-CD1 3.65Å; W796-F980 AromaticContact CD1-CD2 3.81Å; W796-F980 AromaticContact CD1-CG 3.36Å; W796-F980 HydrophobicContact CD2-CB 4.08Å; W796-F980 HydrophobicContact CG-CB 3.92Å; W796-F980 HydrophobicContact CG-CG 4.25Å; W796-F980 AromaticContact NE1-CD2 3.41Å; W796-F980 AromaticContact NE1-CG 3.38Å |
| 797 | E | 92.8 | Very high | 94.3 | Very high | 9 Ų | 9 | 14.8 Ų | 14.8 | 4% | 0.042 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -62.4 | -47.1 | 175.2 | -68.7 | -177 | -175.5 | 0 | 0 | 111.4 | K671 R672 F793 Y794 H800 C801 R999 | K671-E797 HydrophobicContact CG-CG 3.99Å; R672-E797 HydrophobicContact CB-CB 4.06Å; R672-E797 HydrophobicContact CG-CB 4.44Å; R672-E797 PolarHBondContact N-OE2 2.95Å; F793-E797 HydrophobicContact CE1-CG 4.4Å; F793-E797 WeakPolarHBondContact CE1-OE1 3.24Å; F793-E797 PolarHBondContact O-N 2.96Å; F793-E797 VanDerWaalsContact O-N 3.13Å; Y794-E797 WeakPolarHBondContact O-CB 3.45Å; Y794-E797 PolarHBondContact O-N 3.4Å; Y794-E797 VanDerWaalsContact O-N 3.09Å; E797-H800 PolarHBondContact O-N 2.98Å; E797-C801 PolarHBondContact O-N 3.06Å; E797-C801 PolarHBondContact O-SG 3.47Å; E797-R999 IonicContact OE1-CZ 3.78Å; E797-R999 IonicContact OE1-NH1 2.94Å; E797-R999 IonicContact OE1-NH2 2.65Å; E797-R999 PolarHBondContact OE1-NH2 2.81Å; E797-R999 IonicContact OE2-CZ 3.95Å; E797-R999 VanDerWaalsContact OE2-CZ 3.31Å; E797-R999 IonicContact OE2-NH1 3.69Å; E797-R999 PolarHBondContact OE2-NH1 2.74Å; E797-R999 IonicContact OE2-NH2 3.16Å; E797-R999 PolarHBondContact OE2-NH2 2.86Å |
| 798 | L | 93.6 | Very high | 94.4 | Very high | 10 Ų | 10 | 14.9 Ų | 14.9 | 5% | 0.052 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -61.7 | -45.1 | 176.7 | -66.8 | 173.7 | 0 | 0 | 0 | 111.2 | R672 Y794 D795 H800 C801 V802 F827 R830 | R672-L798 HydrophobicContact CG-CD2 4.32Å; Y794-L798 HydrophobicContact CD1-CD1 4.35Å; Y794-L798 HydrophobicContact CE1-CD1 3.91Å; Y794-L798 HydrophobicContact CE2-CD1 4.24Å; Y794-L798 HydrophobicContact CE2-CD2 4.23Å; Y794-L798 HydrophobicContact CE2-CG 4.07Å; Y794-L798 PolarHBondContact O-N 3.07Å; D795-L798 PolarHBondContact O-N 2.94Å; L798-H800 PolarHBondContact O-N 3.13Å; L798-C801 WeakPolarHBondContact O-CB 3.29Å; L798-C801 PolarHBondContact O-N 3.36Å; L798-C801 VanDerWaalsContact O-N 3.08Å; L798-V802 PolarHBondContact O-N 3.4Å; L798-F827 HydrophobicContact CB-CB 4.37Å; L798-F827 HydrophobicContact CB-CD2 3.66Å; L798-F827 HydrophobicContact CB-CE2 4.37Å; L798-F827 HydrophobicContact CB-CG 4.32Å; L798-F827 HydrophobicContact CD1-CD2 4.36Å; L798-R830 HydrophobicContact CD1-CB 3.9Å; L798-R830 HydrophobicContact CD1-CG 3.78Å |
| 799 | F | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -65.6 | -35.2 | -179 | -172.6 | -140.1 | 0 | 0 | 0 | 113.2 | D795 W796 C801 V802 F827 I932 P933 M935 V972 R976 | D795-F799 VanDerWaalsContact O-CB 3.22Å; D795-F799 WeakPolarHBondContact O-CB 3.37Å; D795-F799 PolarHBondContact O-N 3.48Å; W796-F799 AromaticContact CE3-CD1 3.84Å; W796-F799 HydrophobicContact CE3-CD1 3.84Å; W796-F799 HydrophobicContact CH2-CD1 4.29Å; W796-F799 HydrophobicContact CH2-CE1 4.35Å; W796-F799 AromaticContact CZ3-CD1 3.63Å; W796-F799 HydrophobicContact CZ3-CD1 3.63Å; W796-F799 HydrophobicContact CZ3-CE1 4.01Å; W796-F799 PolarHBondContact O-N 3.03Å; F799-C801 VanDerWaalsContact C-N 3.3Å; F799-V802 PolarHBondContact O-N 3.37Å; F799-F827 HydrophobicContact CB-CD1 4.43Å; F799-F827 HydrophobicContact CB-CE1 3.85Å; F799-F827 HydrophobicContact CB-CE2 4.16Å; F799-F827 HydrophobicContact CB-CZ 3.74Å; F799-F827 AromaticContact CD2-CD1 3.94Å; F799-F827 HydrophobicContact CD2-CD1 3.94Å; F799-F827 AromaticContact CD2-CE1 3.34Å; F799-F827 HydrophobicContact CD2-CE1 3.34Å; F799-F827 HydrophobicContact CD2-CZ 4.02Å; F799-F827 HydrophobicContact CE2-CE1 4.08Å; F799-F827 AromaticContact CG-CE1 3.83Å; F799-F827 HydrophobicContact CG-CE1 3.83Å; F799-F827 HydrophobicContact CG-CZ 4.03Å; F799-I932 HydrophobicContact CD1-CG1 4.3Å; F799-I932 HydrophobicContact CD1-CG2 4.38Å; F799-P933 HydrophobicContact CZ-CG 4.2Å; F799-M935 HydrophobicContact CE2-SD 3.86Å; F799-V972 HydrophobicContact CE2-CG1 3.71Å; F799-V972 HydrophobicContact CZ-CG1 3.72Å; F799-R976 HydrophobicContact CE1-CB 4.19Å |
| 800 | H | 93.4 | Very high | 94.1 | Very high | 92 Ų | 92 | 14.6 Ų | 14.6 | 43% | 0.426 | 7% | 0.068 | S | C | . | . | H | α-helix | trans | -70.1 | -26.4 | 172.9 | -79.6 | 92.9 | 0 | 0 | 0 | 113 | W796 E797 L798 V802 | W796-H800 AromaticContact CE3-CE1 3.14Å; W796-H800 AromaticContact CE3-ND1 3.45Å; W796-H800 AromaticContact CZ3-CE1 3.57Å; W796-H800 WeakPolarHBondContact O-CB 3.39Å; W796-H800 PolarHBondContact O-N 3.13Å; W796-H800 PolarHBondContact O-ND1 2.76Å; E797-H800 PolarHBondContact O-N 2.98Å; L798-H800 PolarHBondContact O-N 3.13Å; H800-V802 VanDerWaalsContact C-N 3.25Å; H800-V802 PolarHBondContact O-N 3.08Å |
| 801 | C | 93 | Very high | 94.2 | Very high | 11 Ų | 11 | 14.9 Ų | 14.9 | 7% | 0.074 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -70.9 | -23.7 | 175.3 | -65.2 | 0 | 0 | 0 | 0 | 112.2 | P674 E797 L798 F799 H803 N823 | P674-C801 HydrophobicContact CB-CB 4.48Å; P674-C801 HydrophobicContact CG-CB 4.48Å; E797-C801 PolarHBondContact O-N 3.06Å; E797-C801 PolarHBondContact O-SG 3.47Å; L798-C801 WeakPolarHBondContact O-CB 3.29Å; L798-C801 PolarHBondContact O-N 3.36Å; L798-C801 VanDerWaalsContact O-N 3.08Å; F799-C801 VanDerWaalsContact C-N 3.3Å; C801-H803 PolarHBondContact O-N 3.38Å; C801-N823 HydrophobicContact CB-CB 4.06Å; C801-N823 WeakPolarHBondContact O-CB 3.38Å; C801-N823 PolarHBondContact O-ND2 3.14Å |
| 802 | V | 94.9 | Very high | 94 | Very high | 3 Ų | 3 | 16.1 Ų | 16.1 | 2% | 0.018 | 8% | 0.075 | C | C | . | . | trans | -70.3 | 115.8 | 178.6 | -175.3 | 0 | 0 | 0 | 0 | 110.3 | L798 F799 H800 E806 N823 L824 F827 R976 | L798-V802 PolarHBondContact O-N 3.4Å; F799-V802 PolarHBondContact O-N 3.37Å; H800-V802 VanDerWaalsContact C-N 3.25Å; H800-V802 PolarHBondContact O-N 3.08Å; V802-E806 HydrophobicContact CG1-CB 4.46Å; V802-N823 HydrophobicContact CG2-CB 4.32Å; V802-L824 HydrophobicContact CG1-CB 4.03Å; V802-L824 HydrophobicContact CG1-CD1 4.15Å; V802-F827 HydrophobicContact CG2-CB 4.07Å; V802-F827 HydrophobicContact CG2-CD1 4.24Å; V802-F827 HydrophobicContact CG2-CG 4.46Å; V802-R976 PolarHBondContact O-NH1 2.95Å | ||
| 803 | H | 94.1 | Very high | 93.5 | Very high | 40 Ų | 40 | 16.8 Ų | 16.8 | 19% | 0.185 | 8% | 0.082 | C | C | . | . | trans | -78.5 | 149.2 | 171.5 | -164.5 | -95.4 | 0 | 0 | 0 | 111.6 | V600 H604 C801 L805 E806 | V600-H803 PolarHBondContact O-CE1 3.1Å; V600-H803 PolarHBondContact O-NE2 2.95Å; H604-H803 WeakPolarHBondContact CE1-CB 3.46Å; H604-H803 AromaticContact CE1-CD2 3.41Å; H604-H803 PolarHBondContact CE1-CD2 3.3Å; H604-H803 VanDerWaalsContact CE1-CD2 3.41Å; H604-H803 AromaticContact CE1-CG 3.14Å; H604-H803 AromaticContact CE1-ND1 3.66Å; H604-H803 AromaticContact ND1-CD2 3.41Å; H604-H803 PolarHBondContact ND1-CD2 3.07Å; H604-H803 AromaticContact ND1-CE1 3.68Å; H604-H803 AromaticContact ND1-CG 3.43Å; H604-H803 AromaticContact ND1-ND1 3.6Å; H604-H803 AromaticContact ND1-NE2 3.58Å; H604-H803 AromaticContact NE2-CG 3.89Å; C801-H803 PolarHBondContact O-N 3.38Å; H803-L805 PolarHBondContact ND1-N 2.93Å; H803-L805 PolarHBondContact O-N 2.96Å; H803-E806 HydrophobicContact CB-CG 4.13Å; H803-E806 PolarHBondContact N-OE1 2.78Å; H803-E806 WeakPolarHBondContact O-CB 3.37Å; H803-E806 PolarHBondContact O-N 2.85Å | ||
| 804 | E | 94.4 | Very high | 93 | Very high | 16 Ų | 16 | 15.1 Ų | 15.1 | 8% | 0.075 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -60.3 | -36.1 | -178.2 | -81.9 | 166.4 | -150 | 0 | 0 | 112.9 | L548 E806 L807 V969 R973 R976 | L548-E804 HydrophobicContact CD2-CB 4.32Å; E804-E806 VanDerWaalsContact C-N 3.28Å; E804-E806 PolarHBondContact O-N 3.43Å; E804-L807 WeakPolarHBondContact O-CB 3.3Å; E804-L807 PolarHBondContact O-N 2.88Å; E804-V969 HydrophobicContact CB-CG1 3.57Å; E804-V969 HydrophobicContact CG-CG1 3.68Å; E804-R973 VanDerWaalsContact CD-NE 3.29Å; E804-R973 WeakPolarHBondContact OE1-CB 3.4Å; E804-R973 VanDerWaalsContact OE1-CG 3.24Å; E804-R973 WeakPolarHBondContact OE1-CG 3.39Å; E804-R973 IonicContact OE1-CZ 3.63Å; E804-R973 IonicContact OE1-NE 4Å; E804-R973 PolarHBondContact OE1-NE 3.16Å; E804-R973 IonicContact OE2-CZ 2.64Å; E804-R973 IonicContact OE2-NE 2.93Å; E804-R973 PolarHBondContact OE2-NE 3.49Å; E804-R973 IonicContact OE2-NH2 2.76Å; E804-R973 PolarHBondContact OE2-NH2 3.41Å; E804-R976 IonicContact OE1-CZ 3.82Å; E804-R976 IonicContact OE1-NE 2.75Å; E804-R976 IonicContact OE1-NH2 2.79Å; E804-R976 PolarHBondContact OE1-NH2 3.49Å |
| 805 | L | 93 | Very high | 92.2 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -69.3 | -22.8 | 177.9 | -59.5 | 176.2 | 0 | 0 | 0 | 113 | H803 L807 I808 Y809 | H803-L805 PolarHBondContact ND1-N 2.93Å; H803-L805 PolarHBondContact O-N 2.96Å; L805-L807 PolarHBondContact O-N 3.38Å; L805-I808 WeakPolarHBondContact O-CB 3.29Å; L805-I808 PolarHBondContact O-N 3.22Å; L805-I808 VanDerWaalsContact O-N 3.07Å; L805-Y809 HydrophobicContact CB-CD2 4.5Å; L805-Y809 HydrophobicContact CB-CE1 4.16Å; L805-Y809 HydrophobicContact CB-CE2 3.77Å; L805-Y809 WeakPolarHBondContact CD1-OH 3.45Å; L805-Y809 WeakPolarHBondContact O-CD1 3.22Å; L805-Y809 VanDerWaalsContact O-CD2 3.28Å; L805-Y809 WeakPolarHBondContact O-CD2 3.33Å; L805-Y809 PolarHBondContact O-N 3.12Å |
| 806 | E | 94.4 | Very high | 91.3 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.7 | -34 | 175.4 | -67 | -178.8 | -120.6 | 0 | 0 | 111.3 | V802 H803 E804 I808 Y809 H810 T821 N823 L824 | V802-E806 HydrophobicContact CG1-CB 4.46Å; H803-E806 HydrophobicContact CB-CG 4.13Å; H803-E806 PolarHBondContact N-OE1 2.78Å; H803-E806 WeakPolarHBondContact O-CB 3.37Å; H803-E806 PolarHBondContact O-N 2.85Å; E804-E806 VanDerWaalsContact C-N 3.28Å; E804-E806 PolarHBondContact O-N 3.43Å; E806-I808 VanDerWaalsContact C-N 3.31Å; E806-I808 PolarHBondContact O-N 3.08Å; E806-Y809 PolarHBondContact O-N 2.95Å; E806-H810 WeakPolarHBondContact O-CB 3.41Å; E806-H810 PolarHBondContact O-N 3.22Å; E806-T821 HydrophobicContact CB-CG2 4.19Å; E806-T821 WeakPolarHBondContact O-CG2 3.49Å; E806-T821 VanDerWaalsContact OE2-CA 3.24Å; E806-T821 WeakPolarHBondContact OE2-CA 3.45Å; E806-N823 WeakPolarHBondContact OE1-CB 3.43Å; E806-N823 PolarHBondContact OE1-ND2 2.76Å; E806-N823 WeakPolarHBondContact OE2-CB 3.27Å; E806-N823 PolarHBondContact OE2-N 2.73Å; E806-N823 VanDerWaalsContact OE2-N 3.13Å; E806-L824 HydrophobicContact CB-CB 4.14Å; E806-L824 PolarHBondContact OE2-N 3.28Å |
| 807 | L | 95.9 | Very high | 90.1 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.8 | -38.2 | 174.4 | -62.1 | 165.1 | 0 | 0 | 0 | 111.5 | E804 L805 T811 L824 M935 I939 M942 V969 V972 | E804-L807 WeakPolarHBondContact O-CB 3.3Å; E804-L807 PolarHBondContact O-N 2.88Å; L805-L807 PolarHBondContact O-N 3.38Å; L807-T811 WeakPolarHBondContact O-CB 3.13Å; L807-T811 PolarHBondContact O-N 3.15Å; L807-T811 VanDerWaalsContact O-N 3.13Å; L807-T811 PolarHBondContact O-OG1 2.67Å; L807-L824 HydrophobicContact CD2-CD1 3.89Å; L807-L824 HydrophobicContact CD2-CD2 4Å; L807-M935 HydrophobicContact CD2-CE 4.14Å; L807-I939 HydrophobicContact CD2-CD1 3.75Å; L807-M942 HydrophobicContact CB-CE 3.84Å; L807-M942 HydrophobicContact CB-SD 3.96Å; L807-M942 HydrophobicContact CD2-SD 4.43Å; L807-V969 HydrophobicContact CB-CG2 4.19Å; L807-V969 HydrophobicContact CD1-CG1 4.4Å; L807-V969 HydrophobicContact CD1-CG2 4.18Å; L807-V972 HydrophobicContact CD1-CB 4.19Å; L807-V972 HydrophobicContact CD1-CG1 4.27Å; L807-V972 HydrophobicContact CD1-CG2 3.85Å |
| 808 | I | 94.3 | Very high | 89.2 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.7 | -49.6 | 176.8 | -55.6 | -62.3 | 0 | 0 | 0 | 110.1 | T549 V552 L805 E806 H810 T811 F812 M942 I965 V969 | T549-I808 HydrophobicContact CG2-CD1 4.38Å; V552-I808 HydrophobicContact CG2-CG2 3.88Å; L805-I808 WeakPolarHBondContact O-CB 3.29Å; L805-I808 PolarHBondContact O-N 3.22Å; L805-I808 VanDerWaalsContact O-N 3.07Å; E806-I808 VanDerWaalsContact C-N 3.31Å; E806-I808 PolarHBondContact O-N 3.08Å; I808-H810 VanDerWaalsContact C-N 3.31Å; I808-H810 PolarHBondContact O-N 3.31Å; I808-T811 PolarHBondContact O-N 3.14Å; I808-T811 VanDerWaalsContact O-N 3.14Å; I808-F812 HydrophobicContact CG2-CD2 4.08Å; I808-F812 HydrophobicContact CG2-CE2 4.5Å; I808-F812 WeakPolarHBondContact O-CD2 3.12Å; I808-F812 PolarHBondContact O-N 3.29Å; I808-M942 HydrophobicContact CD1-CE 4.24Å; I808-I965 HydrophobicContact CD1-CG2 3.39Å; I808-V969 HydrophobicContact CD1-CG2 3.74Å; I808-V969 HydrophobicContact CG1-CG2 4.37Å |
| 809 | Y | 92.3 | Very high | 88.8 | Confident | 5 Ų | 5 | 35.4 Ų | 35.4 | 2% | 0.02 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.9 | -38.7 | -179.2 | -53.9 | -26.3 | 0 | 0 | 0 | 112.1 | L805 E806 G813 R814 V817 K819 | L805-Y809 HydrophobicContact CB-CD2 4.5Å; L805-Y809 HydrophobicContact CB-CE1 4.16Å; L805-Y809 HydrophobicContact CB-CE2 3.77Å; L805-Y809 WeakPolarHBondContact CD1-OH 3.45Å; L805-Y809 WeakPolarHBondContact O-CD1 3.22Å; L805-Y809 VanDerWaalsContact O-CD2 3.28Å; L805-Y809 WeakPolarHBondContact O-CD2 3.33Å; L805-Y809 PolarHBondContact O-N 3.12Å; E806-Y809 PolarHBondContact O-N 2.95Å; Y809-G813 CarbonylContact O-C 3.48Å; Y809-G813 WeakPolarHBondContact O-CA 3.38Å; Y809-G813 PolarHBondContact O-N 3.19Å; Y809-R814 PolarHBondContact O-N 2.86Å; Y809-R814 VanDerWaalsContact O-N 3.14Å; Y809-V817 HydrophobicContact CD1-CB 4Å; Y809-V817 HydrophobicContact CD1-CG1 3.71Å; Y809-V817 HydrophobicContact CD1-CG2 3.99Å; Y809-V817 HydrophobicContact CE1-CB 4.38Å; Y809-V817 HydrophobicContact CE1-CG1 3.57Å; Y809-K819 HydrophobicContact CD2-CB 3.49Å; Y809-K819 VanDerWaalsContact CD2-CB 3.49Å; Y809-K819 HydrophobicContact CD2-CG 4.23Å; Y809-K819 HydrophobicContact CE2-CB 3.5Å; Y809-K819 VanDerWaalsContact CE2-CB 3.5Å; Y809-K819 HydrophobicContact CE2-CD 4.5Å; Y809-K819 HydrophobicContact CE2-CG 3.77Å; Y809-K819 HydrophobicContact CG-CB 4.11Å |
| 810 | H | 92.9 | Very high | 88.4 | Confident | 18 Ų | 18 | 36 Ų | 36 | 8% | 0.083 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.9 | -45.7 | 173.7 | -179.4 | -72.2 | 0 | 0 | 0 | 111.2 | E806 I808 R814 T821 L824 | E806-H810 WeakPolarHBondContact O-CB 3.41Å; E806-H810 PolarHBondContact O-N 3.22Å; I808-H810 VanDerWaalsContact C-N 3.31Å; I808-H810 PolarHBondContact O-N 3.31Å; H810-R814 PolarHBondContact CD2-NH1 2.94Å; H810-R814 VanDerWaalsContact CD2-NH1 3.31Å; H810-T821 HydrophobicContact CB-CG2 4.26Å; H810-L824 HydrophobicContact CB-CD2 3.6Å |
| 811 | T | 92.9 | Very high | 88.4 | Confident | 13 Ų | 13 | 31.6 Ų | 31.6 | 8% | 0.08 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -70.5 | -39.7 | -175.4 | -57.6 | 0 | 0 | 0 | 0 | 113.1 | L807 I808 M942 H946 I965 | L807-T811 WeakPolarHBondContact O-CB 3.13Å; L807-T811 PolarHBondContact O-N 3.15Å; L807-T811 VanDerWaalsContact O-N 3.13Å; L807-T811 PolarHBondContact O-OG1 2.67Å; I808-T811 PolarHBondContact O-N 3.14Å; I808-T811 VanDerWaalsContact O-N 3.14Å; T811-M942 HydrophobicContact CG2-CB 4Å; T811-M942 WeakPolarHBondContact CG2-O 3.34Å; T811-M942 WeakPolarHBondContact OG1-CB 3.43Å; T811-M942 WeakPolarHBondContact OG1-CE 3.31Å; T811-H946 HydrophobicContact CG2-CB 3.63Å; T811-I965 HydrophobicContact CG2-CD1 4.28Å |
| 812 | F | 90.6 | Very high | 88.4 | Confident | 27 Ų | 27 | 31 Ų | 31 | 12% | 0.118 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -95.2 | -1 | -177.5 | -74.2 | -97.5 | 0 | 0 | 0 | 113.7 | V552 I808 H816 H946 T951 M962 I965 | V552-F812 HydrophobicContact CB-CD1 4.45Å; V552-F812 HydrophobicContact CB-CE1 4.36Å; V552-F812 HydrophobicContact CG1-CD1 3.57Å; V552-F812 HydrophobicContact CG1-CE1 3.34Å; V552-F812 HydrophobicContact CG1-CG 4.35Å; V552-F812 HydrophobicContact CG1-CZ 3.95Å; V552-F812 HydrophobicContact CG2-CD1 4Å; V552-F812 HydrophobicContact CG2-CD2 3.9Å; V552-F812 HydrophobicContact CG2-CE1 4.04Å; V552-F812 HydrophobicContact CG2-CE2 3.94Å; V552-F812 HydrophobicContact CG2-CG 3.94Å; V552-F812 HydrophobicContact CG2-CZ 4Å; I808-F812 HydrophobicContact CG2-CD2 4.08Å; I808-F812 HydrophobicContact CG2-CE2 4.5Å; I808-F812 WeakPolarHBondContact O-CD2 3.12Å; I808-F812 PolarHBondContact O-N 3.29Å; F812-H816 PolarHBondContact O-CD2 3.29Å; F812-H816 VanDerWaalsContact O-CD2 3.3Å; F812-H946 AromaticContact CD1-CE1 3.28Å; F812-H946 WeakPolarHBondContact CD1-CE1 3.25Å; F812-H946 AromaticContact CD1-ND1 3.35Å; F812-H946 WeakPolarHBondContact CD1-ND1 3.44Å; F812-H946 AromaticContact CE1-CE1 3.47Å; F812-H946 VanDerWaalsContact CE1-CE1 3.47Å; F812-H946 WeakPolarHBondContact CE1-CE1 3.38Å; F812-H946 AromaticContact CE1-ND1 3.17Å; F812-H946 WeakPolarHBondContact CE1-ND1 3.41Å; F812-H946 AromaticContact CG-CE1 3.98Å; F812-H946 AromaticContact CG-ND1 3.89Å; F812-H946 AromaticContact CZ-ND1 3.58Å; F812-T951 HydrophobicContact CE1-CG2 4.5Å; F812-M962 HydrophobicContact CE1-CE 4.45Å; F812-M962 HydrophobicContact CZ-CE 4.24Å; F812-M962 HydrophobicContact CZ-SD 4.47Å; F812-I965 HydrophobicContact CE2-CG1 4.25Å; F812-I965 HydrophobicContact CE2-CG2 4.22Å; F812-I965 HydrophobicContact CZ-CG1 4.35Å |
| 813 | G | 86 | Confident | 88.3 | Confident | 13 Ų | 13 | 31.3 Ų | 31.3 | 13% | 0.134 | 15% | 0.149 | C | C | . | . | trans | 93.3 | 116.5 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y809 Q815 H816 | Y809-G813 CarbonylContact O-C 3.48Å; Y809-G813 WeakPolarHBondContact O-CA 3.38Å; Y809-G813 PolarHBondContact O-N 3.19Å; G813-Q815 VanDerWaalsContact C-N 3.26Å; G813-Q815 PolarHBondContact O-N 3.19Å; G813-H816 PolarHBondContact O-N 2.87Å; G813-H816 VanDerWaalsContact O-N 3.08Å | ||
| 814 | R | 83.2 | Confident | 88.4 | Confident | 36 Ų | 36 | 29.4 Ų | 29.4 | 14% | 0.136 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.4 | -36.2 | -176.7 | -50 | 173.7 | -121.7 | -102.9 | 10.7 | 112.7 | V739 Y809 H810 H816 V817 K818 T821 D825 | V739-R814 HydrophobicContact CG2-CB 4.1Å; Y809-R814 PolarHBondContact O-N 2.86Å; Y809-R814 VanDerWaalsContact O-N 3.14Å; H810-R814 PolarHBondContact CD2-NH1 2.94Å; H810-R814 VanDerWaalsContact CD2-NH1 3.31Å; R814-H816 PolarHBondContact O-N 3.32Å; R814-V817 PolarHBondContact O-N 2.89Å; R814-K818 PolarHBondContact O-N 2.95Å; R814-T821 WeakPolarHBondContact CD-OG1 3.44Å; R814-T821 HydrophobicContact CG-CG2 3.92Å; R814-T821 PolarHBondContact NH1-OG1 3.49Å; R814-D825 IonicContact CZ-OD1 2.67Å; R814-D825 IonicContact CZ-OD2 3.14Å; R814-D825 IonicContact NH1-OD1 3.86Å; R814-D825 PolarHBondContact NH1-OD1 3.43Å; R814-D825 IonicContact NH1-OD2 3.27Å; R814-D825 PolarHBondContact NH1-OD2 2.82Å; R814-D825 IonicContact NH2-OD1 3.92Å |
| 815 | Q | 76.2 | Confident | 88.3 | Confident | 84 Ų | 84 | 29.2 Ų | 29.2 | 39% | 0.393 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -62.8 | -28.6 | 179.6 | 64.1 | -86.6 | -1.6 | 0 | 0 | 113.7 | G813 | G813-Q815 VanDerWaalsContact C-N 3.26Å; G813-Q815 PolarHBondContact O-N 3.19Å |
| 816 | H | 76.5 | Confident | 88.3 | Confident | 144 Ų | 144 | 30.2 Ų | 30.2 | 67% | 0.667 | 15% | 0.145 | S | C | * | . | H | α-helix | trans | -76.2 | -31.6 | -178.9 | -62.5 | -66.6 | 0 | 0 | 0 | 111.9 | F812 G813 R814 | F812-H816 PolarHBondContact O-CD2 3.29Å; F812-H816 VanDerWaalsContact O-CD2 3.3Å; G813-H816 PolarHBondContact O-N 2.87Å; G813-H816 VanDerWaalsContact O-N 3.08Å; R814-H816 PolarHBondContact O-N 3.32Å |
| 817 | V | 71.2 | Confident | 88.4 | Confident | 40 Ų | 40 | 30.1 Ų | 30.1 | 24% | 0.242 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -100 | -13.5 | -176 | -161.1 | 0 | 0 | 0 | 0 | 112.2 | Y809 R814 K819 | Y809-V817 HydrophobicContact CD1-CB 4Å; Y809-V817 HydrophobicContact CD1-CG1 3.71Å; Y809-V817 HydrophobicContact CD1-CG2 3.99Å; Y809-V817 HydrophobicContact CE1-CB 4.38Å; Y809-V817 HydrophobicContact CE1-CG1 3.57Å; R814-V817 PolarHBondContact O-N 2.89Å; V817-K819 HydrophobicContact CG1-CB 4.46Å; V817-K819 HydrophobicContact CG1-CG 3.93Å; V817-K819 PolarHBondContact O-N 2.94Å |
| 818 | K | 74.8 | Confident | 88.3 | Confident | 163 Ų | 163 | 30.8 Ų | 30.8 | 71% | 0.709 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52 | 40 | -175.9 | -59.1 | -175.6 | 179.5 | -177.5 | 0 | 112.6 | R814 | R814-K818 PolarHBondContact O-N 2.95Š|
| 819 | K | 84.1 | Confident | 88.3 | Confident | 35 Ų | 35 | 33 Ų | 33 | 15% | 0.152 | 16% | 0.158 | C | C | . | . | trans | -121.6 | 148.7 | 177.5 | -67.6 | -72.8 | -172.8 | 163.5 | 0 | 109.4 | H604 Q606 Y809 V817 | H604-K819 PolarHBondContact O-NZ 2.97Å; Q606-K819 VanDerWaalsContact NE2-CE 3.31Å; Y809-K819 HydrophobicContact CD2-CB 3.49Å; Y809-K819 VanDerWaalsContact CD2-CB 3.49Å; Y809-K819 HydrophobicContact CD2-CG 4.23Å; Y809-K819 HydrophobicContact CE2-CB 3.5Å; Y809-K819 VanDerWaalsContact CE2-CB 3.5Å; Y809-K819 HydrophobicContact CE2-CD 4.5Å; Y809-K819 HydrophobicContact CE2-CG 3.77Å; Y809-K819 HydrophobicContact CG-CB 4.11Å; V817-K819 HydrophobicContact CG1-CB 4.46Å; V817-K819 HydrophobicContact CG1-CG 3.93Å; V817-K819 PolarHBondContact O-N 2.94Å | ||
| 820 | T | 88.8 | Confident | 88.4 | Confident | 11 Ų | 11 | 32.9 Ų | 32.9 | 7% | 0.067 | 16% | 0.158 | C | C | . | . | trans | -78.6 | 157.3 | 174.3 | -175.9 | 0 | 0 | 0 | 0 | 111.1 | S740 V822 | S740-T820 WeakPolarHBondContact OG-CB 3.31Å; S740-T820 PolarHBondContact OG-OG1 3.46Å; T820-V822 HydrophobicContact CG2-CG1 4.13Å; T820-V822 WeakPolarHBondContact OG1-CB 3.45Å; T820-V822 WeakPolarHBondContact OG1-CG1 3.31Å; T820-V822 PolarHBondContact OG1-N 3.14Å; T820-V822 VanDerWaalsContact OG1-N 3.14Å | ||
| 821 | T | 92.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -131.9 | 28.3 | 170.2 | 59.7 | 0 | 0 | 0 | 0 | 110.5 | E806 H810 R814 N823 L824 D825 | E806-T821 HydrophobicContact CB-CG2 4.19Å; E806-T821 WeakPolarHBondContact O-CG2 3.49Å; E806-T821 VanDerWaalsContact OE2-CA 3.24Å; E806-T821 WeakPolarHBondContact OE2-CA 3.45Å; H810-T821 HydrophobicContact CB-CG2 4.26Å; R814-T821 WeakPolarHBondContact CD-OG1 3.44Å; R814-T821 HydrophobicContact CG-CG2 3.92Å; R814-T821 PolarHBondContact NH1-OG1 3.49Å; T821-N823 PolarHBondContact O-N 3.39Å; T821-L824 WeakPolarHBondContact O-CB 3.44Å; T821-L824 PolarHBondContact O-N 3.47Å; T821-L824 VanDerWaalsContact O-N 3.12Å; T821-D825 VanDerWaalsContact O-CG 3.27Å; T821-D825 PolarHBondContact O-N 3.37Å; T821-D825 PolarHBondContact OG1-OD1 3.33Å; T821-D825 PolarHBondContact OG1-OD2 2.87Å | ||
| 822 | V | 92.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.1 | -35.3 | -170.5 | 58.1 | 0 | 0 | 0 | 0 | 112.8 | F662 I675 V699 T820 D825 L826 | F662-V822 HydrophobicContact CD1-CG2 3.95Å; F662-V822 HydrophobicContact CE1-CG2 3.51Å; F662-V822 HydrophobicContact CZ-CG2 3.95Å; I675-V822 HydrophobicContact CB-CG1 3.74Å; I675-V822 HydrophobicContact CD1-CG2 4.21Å; I675-V822 HydrophobicContact CG2-CG1 3.65Å; I675-V822 HydrophobicContact CG2-CG2 4.29Å; V699-V822 HydrophobicContact CG1-CB 4.06Å; V699-V822 HydrophobicContact CG1-CG1 4.05Å; V699-V822 HydrophobicContact CG1-CG2 4.19Å; T820-V822 HydrophobicContact CG2-CG1 4.13Å; T820-V822 WeakPolarHBondContact OG1-CB 3.45Å; T820-V822 WeakPolarHBondContact OG1-CG1 3.31Å; T820-V822 PolarHBondContact OG1-N 3.14Å; T820-V822 VanDerWaalsContact OG1-N 3.14Å; V822-D825 PolarHBondContact O-N 3.12Å; V822-L826 HydrophobicContact CG2-CD1 4.13Å; V822-L826 HydrophobicContact CG2-CG 4.36Å; V822-L826 WeakPolarHBondContact O-CB 3.37Å; V822-L826 VanDerWaalsContact O-CG 3.23Å; V822-L826 WeakPolarHBondContact O-CG 3.48Å; V822-L826 PolarHBondContact O-N 3.19Å |
| 823 | N | 93.6 | Very high | 88.8 | Confident | 8 Ų | 8 | 33.2 Ų | 33.2 | 4% | 0.043 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -70.1 | -41.8 | 179.8 | -53.2 | -68.3 | 0 | 0 | 0 | 110.5 | I675 C801 V802 E806 T821 F827 | I675-N823 PolarHBondContact N-OD1 3.05Å; I675-N823 PolarHBondContact O-ND2 2.9Å; C801-N823 HydrophobicContact CB-CB 4.06Å; C801-N823 WeakPolarHBondContact O-CB 3.38Å; C801-N823 PolarHBondContact O-ND2 3.14Å; V802-N823 HydrophobicContact CG2-CB 4.32Å; E806-N823 WeakPolarHBondContact OE1-CB 3.43Å; E806-N823 PolarHBondContact OE1-ND2 2.76Å; E806-N823 WeakPolarHBondContact OE2-CB 3.27Å; E806-N823 PolarHBondContact OE2-N 2.73Å; E806-N823 VanDerWaalsContact OE2-N 3.13Å; T821-N823 PolarHBondContact O-N 3.39Å; N823-F827 WeakPolarHBondContact O-CB 3.27Å; N823-F827 PolarHBondContact O-N 2.99Å |
| 824 | L | 95.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.3 | -46.7 | 172.8 | 178.3 | 60.8 | 0 | 0 | 0 | 111.3 | V802 E806 L807 H810 T821 L826 F827 L828 M935 I939 | V802-L824 HydrophobicContact CG1-CB 4.03Å; V802-L824 HydrophobicContact CG1-CD1 4.15Å; E806-L824 HydrophobicContact CB-CB 4.14Å; E806-L824 PolarHBondContact OE2-N 3.28Å; L807-L824 HydrophobicContact CD2-CD1 3.89Å; L807-L824 HydrophobicContact CD2-CD2 4Å; H810-L824 HydrophobicContact CB-CD2 3.6Å; T821-L824 WeakPolarHBondContact O-CB 3.44Å; T821-L824 PolarHBondContact O-N 3.47Å; T821-L824 VanDerWaalsContact O-N 3.12Å; L824-L826 PolarHBondContact O-N 3.27Å; L824-F827 PolarHBondContact O-N 3.29Å; L824-F827 VanDerWaalsContact O-N 3.15Å; L824-L828 HydrophobicContact CD1-CD1 4.1Å; L824-L828 HydrophobicContact CD1-CD2 4.49Å; L824-L828 HydrophobicContact CD1-CG 4.05Å; L824-L828 HydrophobicContact CG-CD1 3.99Å; L824-L828 HydrophobicContact CG-CG 4.34Å; L824-L828 WeakPolarHBondContact O-CG 3.49Å; L824-L828 PolarHBondContact O-N 3.4Å; L824-M935 HydrophobicContact CD1-CE 4.06Å; L824-I939 HydrophobicContact CD1-CD1 4.26Å; L824-I939 HydrophobicContact CD2-CD1 4.21Å |
| 825 | D | 93.8 | Very high | 90 | Very high | 12 Ų | 12 | 32.3 Ų | 32.3 | 6% | 0.064 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.3 | -46.5 | -179.3 | -67.2 | -27.1 | 0 | 0 | 0 | 111.5 | S743 R814 T821 V822 F827 L828 Q829 | S743-D825 PolarHBondContact OG-OD2 3.41Å; R814-D825 IonicContact CZ-OD1 2.67Å; R814-D825 IonicContact CZ-OD2 3.14Å; R814-D825 IonicContact NH1-OD1 3.86Å; R814-D825 PolarHBondContact NH1-OD1 3.43Å; R814-D825 IonicContact NH1-OD2 3.27Å; R814-D825 PolarHBondContact NH1-OD2 2.82Å; R814-D825 IonicContact NH2-OD1 3.92Å; T821-D825 VanDerWaalsContact O-CG 3.27Å; T821-D825 PolarHBondContact O-N 3.37Å; T821-D825 PolarHBondContact OG1-OD1 3.33Å; T821-D825 PolarHBondContact OG1-OD2 2.87Å; V822-D825 PolarHBondContact O-N 3.12Å; D825-F827 VanDerWaalsContact C-N 3.31Å; D825-F827 PolarHBondContact O-N 2.87Å; D825-L828 PolarHBondContact O-N 3.05Å; D825-Q829 VanDerWaalsContact O-CB 3.31Å; D825-Q829 WeakPolarHBondContact O-CB 3.25Å; D825-Q829 PolarHBondContact O-N 3.2Å |
| 826 | L | 92.4 | Very high | 90.9 | Very high | 22 Ų | 22 | 28.8 Ų | 28.8 | 12% | 0.115 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.8 | -37.5 | 176.4 | -69.5 | 175.7 | 0 | 0 | 0 | 112.2 | F662 I675 V822 L824 Q829 R830 | F662-L826 HydrophobicContact CB-CD1 3.92Å; F662-L826 HydrophobicContact CB-CD2 4.31Å; F662-L826 HydrophobicContact CD1-CD1 4.45Å; F662-L826 HydrophobicContact CD2-CD1 4.45Å; F662-L826 HydrophobicContact CD2-CD2 3.71Å; F662-L826 HydrophobicContact CE2-CD2 4.23Å; F662-L826 HydrophobicContact CG-CD1 4.04Å; F662-L826 HydrophobicContact CG-CD2 4.12Å; I675-L826 HydrophobicContact CD1-CD1 3.55Å; V822-L826 HydrophobicContact CG2-CD1 4.13Å; V822-L826 HydrophobicContact CG2-CG 4.36Å; V822-L826 WeakPolarHBondContact O-CB 3.37Å; V822-L826 VanDerWaalsContact O-CG 3.23Å; V822-L826 WeakPolarHBondContact O-CG 3.48Å; V822-L826 PolarHBondContact O-N 3.19Å; L824-L826 PolarHBondContact O-N 3.27Å; L826-Q829 PolarHBondContact O-N 3.42Å; L826-R830 WeakPolarHBondContact O-CB 3.47Å; L826-R830 PolarHBondContact O-N 3.45Å |
| 827 | F | 96.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -71.8 | -34.6 | 177.8 | -172.5 | -133.4 | 0 | 0 | 0 | 112.8 | D795 L798 F799 V802 N823 L824 D825 R830 I932 M935 | D795-F827 HydrophobicContact CB-CE2 4.22Å; L798-F827 HydrophobicContact CB-CB 4.37Å; L798-F827 HydrophobicContact CB-CD2 3.66Å; L798-F827 HydrophobicContact CB-CE2 4.37Å; L798-F827 HydrophobicContact CB-CG 4.32Å; L798-F827 HydrophobicContact CD1-CD2 4.36Å; F799-F827 HydrophobicContact CB-CD1 4.43Å; F799-F827 HydrophobicContact CB-CE1 3.85Å; F799-F827 HydrophobicContact CB-CE2 4.16Å; F799-F827 HydrophobicContact CB-CZ 3.74Å; F799-F827 AromaticContact CD2-CD1 3.94Å; F799-F827 HydrophobicContact CD2-CD1 3.94Å; F799-F827 AromaticContact CD2-CE1 3.34Å; F799-F827 HydrophobicContact CD2-CE1 3.34Å; F799-F827 HydrophobicContact CD2-CZ 4.02Å; F799-F827 HydrophobicContact CE2-CE1 4.08Å; F799-F827 AromaticContact CG-CE1 3.83Å; F799-F827 HydrophobicContact CG-CE1 3.83Å; F799-F827 HydrophobicContact CG-CZ 4.03Å; V802-F827 HydrophobicContact CG2-CB 4.07Å; V802-F827 HydrophobicContact CG2-CD1 4.24Å; V802-F827 HydrophobicContact CG2-CG 4.46Å; N823-F827 WeakPolarHBondContact O-CB 3.27Å; N823-F827 PolarHBondContact O-N 2.99Å; L824-F827 PolarHBondContact O-N 3.29Å; L824-F827 VanDerWaalsContact O-N 3.15Å; D825-F827 VanDerWaalsContact C-N 3.31Å; D825-F827 PolarHBondContact O-N 2.87Å; F827-R830 WeakPolarHBondContact O-CB 3.47Å; F827-I932 HydrophobicContact CE1-CG2 4.43Å; F827-I932 HydrophobicContact CZ-CG2 3.64Å; F827-M935 HydrophobicContact CD1-CE 4.48Å; F827-M935 HydrophobicContact CD1-CG 3.9Å; F827-M935 HydrophobicContact CE1-CB 4.45Å; F827-M935 HydrophobicContact CE1-CE 4.5Å; F827-M935 HydrophobicContact CE1-CG 3.3Å; F827-M935 HydrophobicContact CE1-SD 4.04Å; F827-M935 HydrophobicContact CZ-CG 4.1Å |
| 828 | L | 94.6 | Very high | 93.1 | Very high | 15 Ų | 15 | 20.1 Ų | 20.1 | 8% | 0.079 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -70.1 | -39.1 | 171.1 | -66 | 175.8 | 0 | 0 | 0 | 111.4 | L824 D825 R830 F831 M935 I939 | L824-L828 HydrophobicContact CD1-CD1 4.1Å; L824-L828 HydrophobicContact CD1-CD2 4.49Å; L824-L828 HydrophobicContact CD1-CG 4.05Å; L824-L828 HydrophobicContact CG-CD1 3.99Å; L824-L828 HydrophobicContact CG-CG 4.34Å; L824-L828 WeakPolarHBondContact O-CG 3.49Å; L824-L828 PolarHBondContact O-N 3.4Å; D825-L828 PolarHBondContact O-N 3.05Å; L828-R830 VanDerWaalsContact C-N 3.31Å; L828-R830 PolarHBondContact O-N 2.85Å; L828-F831 VanDerWaalsContact O-CB 3.32Å; L828-F831 WeakPolarHBondContact O-CB 3.19Å; L828-F831 PolarHBondContact O-N 3.48Å; L828-M935 HydrophobicContact CD2-CB 4.01Å; L828-I939 HydrophobicContact CD1-CG1 4.16Å; L828-I939 HydrophobicContact CD2-CG1 3.96Å |
| 829 | Q | 93.4 | Very high | 94.2 | Very high | 47 Ų | 47 | 12.4 Ų | 12.4 | 22% | 0.22 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -62.6 | -38.6 | 174.8 | -169.1 | 180 | 27.7 | 0 | 0 | 111.4 | L745 I747 D825 L826 F831 N832 E833 | L745-Q829 PolarHBondContact O-NE2 2.71Å; I747-Q829 HydrophobicContact CG1-CG 4.06Å; D825-Q829 VanDerWaalsContact O-CB 3.31Å; D825-Q829 WeakPolarHBondContact O-CB 3.25Å; D825-Q829 PolarHBondContact O-N 3.2Å; L826-Q829 PolarHBondContact O-N 3.42Å; Q829-F831 PolarHBondContact O-N 3.16Å; Q829-N832 PolarHBondContact O-N 2.78Å; Q829-E833 PolarHBondContact O-N 3.29Å |
| 830 | R | 95.4 | Very high | 94.7 | Very high | 3 Ų | 3 | 10.7 Ų | 10.7 | 1% | 0.011 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -55.9 | -36.3 | 174.5 | 176.5 | 58.8 | 176.2 | 179.9 | 2.9 | 112.9 | D795 L798 L826 F827 L828 E833 I834 V998 | D795-R830 WeakPolarHBondContact OD1-CG 3.3Å; D795-R830 IonicContact OD1-NE 3.78Å; D795-R830 PolarHBondContact OD1-NE 2.85Å; D795-R830 VanDerWaalsContact OD1-NE 3.13Å; L798-R830 HydrophobicContact CD1-CB 3.9Å; L798-R830 HydrophobicContact CD1-CG 3.78Å; L826-R830 WeakPolarHBondContact O-CB 3.47Å; L826-R830 PolarHBondContact O-N 3.45Å; F827-R830 WeakPolarHBondContact O-CB 3.47Å; L828-R830 VanDerWaalsContact C-N 3.31Å; L828-R830 PolarHBondContact O-N 2.85Å; R830-E833 WeakPolarHBondContact CD-OE2 3.07Å; R830-E833 IonicContact CZ-OE2 3.99Å; R830-E833 IonicContact NE-OE2 3.66Å; R830-E833 IonicContact NH1-OE1 2.98Å; R830-E833 IonicContact NH1-OE2 2.91Å; R830-E833 PolarHBondContact NH1-OE2 2.96Å; R830-E833 PolarHBondContact O-N 3.39Å; R830-I834 HydrophobicContact CG-CD1 4.19Å; R830-I834 WeakPolarHBondContact O-CG1 3.47Å; R830-I834 PolarHBondContact O-N 3.46Å; R830-V998 PolarHBondContact NH1-O 3.36Å; R830-V998 VanDerWaalsContact NH1-O 3.1Å; R830-V998 PolarHBondContact NH2-O 2.92Å |
| 831 | F | 96.9 | Very high | 95 | Very high | 1 Ų | 1 | 10.3 Ų | 10.3 | 0% | 0.004 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -59.6 | -49.5 | 174.4 | -177.6 | -87.2 | 0 | 0 | 0 | 111.3 | L828 Q829 E833 I834 Q835 N872 F875 A876 L879 F934 P936 | L828-F831 VanDerWaalsContact O-CB 3.32Å; L828-F831 WeakPolarHBondContact O-CB 3.19Å; L828-F831 PolarHBondContact O-N 3.48Å; Q829-F831 PolarHBondContact O-N 3.16Å; F831-E833 VanDerWaalsContact C-N 3.33Å; F831-E833 PolarHBondContact O-N 2.68Å; F831-I834 PolarHBondContact O-N 3.38Å; F831-Q835 PolarHBondContact O-N 3.42Å; F831-N872 WeakPolarHBondContact CD2-O 3.39Å; F831-N872 WeakPolarHBondContact CD2-OD1 3.46Å; F831-N872 VanDerWaalsContact CE2-O 3.28Å; F831-N872 WeakPolarHBondContact CE2-O 3.39Å; F831-F875 HydrophobicContact CE2-CB 4.1Å; F831-F875 HydrophobicContact CZ-CB 4.35Å; F831-A876 HydrophobicContact CD2-CB 3.75Å; F831-A876 HydrophobicContact CE1-CB 4.44Å; F831-A876 HydrophobicContact CE2-CB 3.68Å; F831-A876 HydrophobicContact CG-CB 4.18Å; F831-A876 HydrophobicContact CZ-CB 4.03Å; F831-A876 WeakPolarHBondContact O-CB 3.47Å; F831-L879 HydrophobicContact CE1-CD1 3.95Å; F831-L879 HydrophobicContact CZ-CD1 3.67Å; F831-F934 AromaticContact CE2-CD2 3.91Å; F831-F934 HydrophobicContact CE2-CD2 3.91Å; F831-F934 AromaticContact CE2-CE2 3.58Å; F831-F934 HydrophobicContact CE2-CE2 3.58Å; F831-F934 HydrophobicContact CZ-CD2 4.36Å; F831-F934 AromaticContact CZ-CE2 3.57Å; F831-F934 HydrophobicContact CZ-CE2 3.57Å; F831-F934 HydrophobicContact CZ-CZ 4.45Å; F831-P936 HydrophobicContact CD1-CG 4.02Å; F831-P936 HydrophobicContact CD2-CG 4.04Å; F831-P936 HydrophobicContact CE1-CG 4.18Å; F831-P936 HydrophobicContact CE2-CG 4.18Å; F831-P936 HydrophobicContact CG-CG 3.96Å; F831-P936 HydrophobicContact CZ-CG 4.26Å |
| 832 | N | 92.6 | Very high | 95.2 | Very high | 31 Ų | 31 | 10.3 Ų | 10.3 | 17% | 0.166 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -65.8 | -37.6 | 178.5 | -62.8 | -49.8 | 0 | 0 | 0 | 111.4 | I747 Q829 I834 Q835 F836 | I747-N832 HydrophobicContact CD1-CB 3.94Å; Q829-N832 PolarHBondContact O-N 2.78Å; N832-I834 PolarHBondContact O-N 3.22Å; N832-Q835 PolarHBondContact O-N 2.87Å; N832-F836 HydrophobicContact CB-CD2 4.37Å; N832-F836 WeakPolarHBondContact O-CB 3.5Å; N832-F836 VanDerWaalsContact O-CD2 3.25Å; N832-F836 WeakPolarHBondContact O-CD2 3.44Å; N832-F836 PolarHBondContact O-N 3.42Å |
| 833 | E | 94.8 | Very high | 95.3 | Very high | 32 Ų | 32 | 10.5 Ų | 10.5 | 15% | 0.15 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -58.4 | -47.9 | 176.6 | -171.4 | -168.5 | -161 | 0 | 0 | 111.3 | I747 Q829 R830 F831 Q835 W837 L1001 | I747-E833 HydrophobicContact CD1-CB 4.33Å; Q829-E833 PolarHBondContact O-N 3.29Å; R830-E833 WeakPolarHBondContact CD-OE2 3.07Å; R830-E833 IonicContact CZ-OE2 3.99Å; R830-E833 IonicContact NE-OE2 3.66Å; R830-E833 IonicContact NH1-OE1 2.98Å; R830-E833 IonicContact NH1-OE2 2.91Å; R830-E833 PolarHBondContact NH1-OE2 2.96Å; R830-E833 PolarHBondContact O-N 3.39Å; F831-E833 VanDerWaalsContact C-N 3.33Å; F831-E833 PolarHBondContact O-N 2.68Å; E833-Q835 PolarHBondContact O-N 3.09Å; E833-W837 WeakPolarHBondContact O-CB 3.28Å; E833-W837 PolarHBondContact O-N 3.27Å; E833-L1001 HydrophobicContact CG-CB 4.03Å; E833-L1001 HydrophobicContact CG-CD1 4.22Å |
| 834 | I | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -64.1 | -41.2 | 176.4 | -65 | 166.7 | 0 | 0 | 0 | 110.9 | M791 R830 F831 N832 W837 V838 A873 A876 V877 L1001 | M791-I834 HydrophobicContact CG-CD1 4.07Å; M791-I834 HydrophobicContact SD-CD1 3.93Å; M791-I834 HydrophobicContact SD-CG1 4.35Å; M791-I834 HydrophobicContact SD-CG2 4.23Å; R830-I834 HydrophobicContact CG-CD1 4.19Å; R830-I834 WeakPolarHBondContact O-CG1 3.47Å; R830-I834 PolarHBondContact O-N 3.46Å; F831-I834 PolarHBondContact O-N 3.38Å; N832-I834 PolarHBondContact O-N 3.22Å; I834-W837 HydrophobicContact CG2-CE3 4.28Å; I834-W837 WeakPolarHBondContact O-CB 3.47Å; I834-W837 PolarHBondContact O-N 3.26Å; I834-V838 PolarHBondContact O-N 3.4Å; I834-A873 HydrophobicContact CD1-CB 4.04Å; I834-A876 HydrophobicContact CB-CB 3.79Å; I834-A876 HydrophobicContact CG2-CB 3.64Å; I834-V877 HydrophobicContact CG2-CG2 3.77Å; I834-L1001 HydrophobicContact CG1-CD1 4.49Å |
| 835 | Q | 97.1 | Very high | 95.3 | Very high | 30 Ų | 30 | 12.2 Ų | 12.2 | 14% | 0.14 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.3 | -52.3 | 178.2 | -175.4 | -174.9 | -2.3 | 0 | 0 | 111.5 | F831 N832 E833 W837 V838 I839 A876 L879 | F831-Q835 PolarHBondContact O-N 3.42Å; N832-Q835 PolarHBondContact O-N 2.87Å; E833-Q835 PolarHBondContact O-N 3.09Å; Q835-W837 VanDerWaalsContact C-N 3.29Å; Q835-W837 PolarHBondContact O-N 3.29Å; Q835-V838 PolarHBondContact O-N 3.27Å; Q835-I839 HydrophobicContact CG-CD1 4.19Å; Q835-I839 WeakPolarHBondContact O-CG1 3.25Å; Q835-I839 PolarHBondContact O-N 3.33Å; Q835-A876 WeakPolarHBondContact CA-O 3.5Å; Q835-L879 HydrophobicContact CG-CB 4.38Å |
| 836 | F | 95.9 | Very high | 95.2 | Very high | 10 Ų | 10 | 16 Ų | 16 | 4% | 0.044 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -68.2 | -28.3 | 179.7 | -78.8 | -65.2 | 0 | 0 | 0 | 112.8 | M1 I747 N832 I839 T840 V1003 I1004 D1005 L1010 | M1-F836 HydrophobicContact CG-CE2 4.49Å; M1-F836 HydrophobicContact CG-CZ 3.98Å; I747-F836 HydrophobicContact CD1-CD2 3.66Å; I747-F836 HydrophobicContact CD1-CE2 4.39Å; I747-F836 HydrophobicContact CD1-CG 4.5Å; N832-F836 HydrophobicContact CB-CD2 4.37Å; N832-F836 WeakPolarHBondContact O-CB 3.5Å; N832-F836 VanDerWaalsContact O-CD2 3.25Å; N832-F836 WeakPolarHBondContact O-CD2 3.44Å; N832-F836 PolarHBondContact O-N 3.42Å; F836-I839 HydrophobicContact CD1-CD1 4Å; F836-I839 HydrophobicContact CE1-CD1 4.38Å; F836-I839 PolarHBondContact O-N 2.9Å; F836-T840 WeakPolarHBondContact O-CB 3.46Å; F836-T840 PolarHBondContact O-N 3.27Å; F836-T840 PolarHBondContact O-OG1 3.42Å; F836-V1003 HydrophobicContact CB-CB 4.02Å; F836-V1003 HydrophobicContact CB-CG2 3.97Å; F836-I1004 WeakPolarHBondContact CD1-O 3.44Å; F836-D1005 HydrophobicContact CD1-CB 4.48Å; F836-D1005 HydrophobicContact CD2-CB 4.04Å; F836-D1005 HydrophobicContact CE2-CB 4.09Å; F836-D1005 HydrophobicContact CG-CB 4.24Å; F836-D1005 HydrophobicContact CZ-CB 4.33Å; F836-L1010 HydrophobicContact CD1-CD1 3.82Å; F836-L1010 HydrophobicContact CE1-CD1 4Å |
| 837 | W | 95.8 | Very high | 95.3 | Very high | 3 Ų | 3 | 20.1 Ų | 20.1 | 1% | 0.011 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.2 | -46.1 | 171.7 | 166.2 | 61.9 | 0 | 0 | 0 | 112.3 | F779 V787 M791 E833 I834 Q835 I839 T840 E841 F858 I861 Y997 L1001 V1003 | F779-W837 HydrophobicContact CD2-CZ2 4.08Å; F779-W837 HydrophobicContact CE1-CZ2 4.07Å; F779-W837 AromaticContact CE2-CH2 3.83Å; F779-W837 HydrophobicContact CE2-CH2 3.83Å; F779-W837 AromaticContact CE2-CZ2 3.42Å; F779-W837 HydrophobicContact CE2-CZ2 3.42Å; F779-W837 VanDerWaalsContact CE2-CZ2 3.42Å; F779-W837 AromaticContact CZ-CH2 3.7Å; F779-W837 HydrophobicContact CZ-CH2 3.7Å; F779-W837 AromaticContact CZ-CZ2 3.4Å; F779-W837 HydrophobicContact CZ-CZ2 3.4Å; F779-W837 VanDerWaalsContact CZ-CZ2 3.4Å; V787-W837 HydrophobicContact CG1-CH2 4.12Å; M791-W837 HydrophobicContact CE-CH2 3.98Å; M791-W837 HydrophobicContact CE-CZ3 3.66Å; E833-W837 WeakPolarHBondContact O-CB 3.28Å; E833-W837 PolarHBondContact O-N 3.27Å; I834-W837 HydrophobicContact CG2-CE3 4.28Å; I834-W837 WeakPolarHBondContact O-CB 3.47Å; I834-W837 PolarHBondContact O-N 3.26Å; Q835-W837 VanDerWaalsContact C-N 3.29Å; Q835-W837 PolarHBondContact O-N 3.29Å; W837-I839 PolarHBondContact O-N 3.04Å; W837-T840 PolarHBondContact O-N 2.83Å; W837-E841 PolarHBondContact O-N 3.05Å; W837-F858 HydrophobicContact CD2-CE1 4.18Å; W837-F858 AromaticContact CE3-CE1 3.92Å; W837-F858 HydrophobicContact CE3-CE1 3.92Å; W837-F858 HydrophobicContact CH2-CD1 4.17Å; W837-F858 AromaticContact CH2-CE1 3.52Å; W837-F858 HydrophobicContact CH2-CE1 3.52Å; W837-F858 AromaticContact CZ2-CE1 3.75Å; W837-F858 HydrophobicContact CZ2-CE1 3.75Å; W837-F858 HydrophobicContact CZ2-CZ 4.4Å; W837-F858 HydrophobicContact CZ3-CD1 4.09Å; W837-F858 AromaticContact CZ3-CE1 3.58Å; W837-F858 HydrophobicContact CZ3-CE1 3.58Å; W837-I861 HydrophobicContact CH2-CD1 4.13Å; W837-Y997 AromaticContact CZ2-CE1 3.99Å; W837-Y997 HydrophobicContact CZ2-CE1 3.99Å; W837-Y997 AromaticContact NE1-CZ 3.79Å; W837-Y997 PolarHBondContact NE1-OH 3.25Å; W837-L1001 HydrophobicContact CB-CD1 4.05Å; W837-L1001 HydrophobicContact CD2-CD1 4.28Å; W837-L1001 HydrophobicContact CD2-CD2 4.29Å; W837-L1001 HydrophobicContact CG-CD1 4.04Å; W837-L1001 HydrophobicContact CG-CD2 4.09Å; W837-V1003 HydrophobicContact CB-CG1 3.73Å |
| 838 | V | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.3 | -49 | 175.8 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | I834 Q835 T840 V842 F858 V877 L881 | I834-V838 PolarHBondContact O-N 3.4Å; Q835-V838 PolarHBondContact O-N 3.27Å; V838-T840 PolarHBondContact O-N 2.7Å; V838-V842 WeakPolarHBondContact O-CG2 3.25Å; V838-V842 PolarHBondContact O-N 3.4Å; V838-V842 VanDerWaalsContact O-N 3.16Å; V838-F858 HydrophobicContact CB-CE1 4.36Å; V838-F858 HydrophobicContact CB-CZ 4.36Å; V838-F858 HydrophobicContact CG1-CD1 4.39Å; V838-F858 HydrophobicContact CG1-CD2 3.93Å; V838-F858 HydrophobicContact CG1-CE2 4.1Å; V838-F858 HydrophobicContact CG1-CG 4.09Å; V838-F858 HydrophobicContact CG1-CZ 4.41Å; V838-F858 HydrophobicContact CG2-CD1 3.74Å; V838-F858 HydrophobicContact CG2-CE1 3.75Å; V838-F858 HydrophobicContact CG2-CG 4.24Å; V838-F858 HydrophobicContact CG2-CZ 4.25Å; V838-V877 HydrophobicContact CG2-CB 4.32Å; V838-V877 HydrophobicContact CG2-CG1 4.1Å; V838-V877 HydrophobicContact CG2-CG2 4.18Å; V838-L881 HydrophobicContact CG1-CD2 3.72Å; V838-L881 HydrophobicContact CG1-CG 4.03Å |
| 839 | I | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.1 | -44.2 | -177 | -56 | 159.3 | 0 | 0 | 0 | 110.4 | Q835 F836 W837 V842 C843 G880 H883 A885 V886 L1010 | Q835-I839 HydrophobicContact CG-CD1 4.19Å; Q835-I839 WeakPolarHBondContact O-CG1 3.25Å; Q835-I839 PolarHBondContact O-N 3.33Å; F836-I839 HydrophobicContact CD1-CD1 4Å; F836-I839 HydrophobicContact CE1-CD1 4.38Å; F836-I839 PolarHBondContact O-N 2.9Å; W837-I839 PolarHBondContact O-N 3.04Å; I839-V842 PolarHBondContact O-N 2.71Å; I839-C843 WeakPolarHBondContact O-CB 3.38Å; I839-C843 PolarHBondContact O-N 3.48Å; I839-C843 PolarHBondContact O-SG 3.15Å; I839-G880 WeakPolarHBondContact CG1-O 3.25Å; I839-H883 HydrophobicContact CD1-CB 3.76Å; I839-H883 HydrophobicContact CG1-CB 3.82Å; I839-A885 HydrophobicContact CG2-CB 4.23Å; I839-V886 HydrophobicContact CB-CG2 4.39Å; I839-V886 HydrophobicContact CG1-CG2 4.32Å; I839-V886 HydrophobicContact CG2-CG2 4.09Å; I839-L1010 HydrophobicContact CB-CD1 4.31Å; I839-L1010 HydrophobicContact CG2-CB 4.19Å; I839-L1010 HydrophobicContact CG2-CD1 3.67Å; I839-L1010 HydrophobicContact CG2-CD2 3.98Å; I839-L1010 HydrophobicContact CG2-CG 4.15Å |
| 840 | T | 95.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.8 | -52.8 | -179.9 | -61.7 | 0 | 0 | 0 | 0 | 111.1 | F836 W837 V838 V842 C843 L844 I1004 | F836-T840 WeakPolarHBondContact O-CB 3.46Å; F836-T840 PolarHBondContact O-N 3.27Å; F836-T840 PolarHBondContact O-OG1 3.42Å; W837-T840 PolarHBondContact O-N 2.83Å; V838-T840 PolarHBondContact O-N 2.7Å; T840-V842 VanDerWaalsContact C-N 3.31Å; T840-V842 PolarHBondContact O-N 2.98Å; T840-C843 PolarHBondContact O-N 3.29Å; T840-L844 HydrophobicContact CG2-CD1 3.63Å; T840-L844 HydrophobicContact CG2-CG 4.34Å; T840-L844 WeakPolarHBondContact O-CB 3.33Å; T840-L844 WeakPolarHBondContact O-CG 3.19Å; T840-L844 PolarHBondContact O-N 2.83Å; T840-I1004 HydrophobicContact CG2-CB 4.38Å; T840-I1004 HydrophobicContact CG2-CD1 4.09Å; T840-I1004 HydrophobicContact CG2-CG1 3.95Å; T840-I1004 PolarHBondContact OG1-N 2.59Å; T840-I1004 PolarHBondContact OG1-O 2.93Å |
| 841 | E | 95.2 | Very high | 95.4 | Very high | 3 Ų | 3 | 28.5 Ų | 28.5 | 1% | 0.014 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.8 | -36 | -178.3 | -74.4 | -65.4 | 147.1 | 0 | 0 | 112.4 | S775 W837 C845 L854 F858 | S775-E841 WeakPolarHBondContact CB-OE1 3.36Å; S775-E841 PolarHBondContact N-OE1 3.4Å; S775-E841 VanDerWaalsContact N-OE1 3.08Å; S775-E841 PolarHBondContact OG-OE1 3Å; W837-E841 PolarHBondContact O-N 3.05Å; E841-C845 WeakPolarHBondContact O-CB 3.19Å; E841-C845 PolarHBondContact O-N 3.25Å; E841-L854 WeakPolarHBondContact O-CD1 3.41Å; E841-F858 HydrophobicContact CB-CE2 4.29Å; E841-F858 HydrophobicContact CB-CZ 3.98Å; E841-F858 HydrophobicContact CG-CZ 4.49Å |
| 842 | V | 95.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -69.8 | -45.8 | 175.7 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | V838 I839 T840 L844 C845 L855 F858 V886 L889 | V838-V842 WeakPolarHBondContact O-CG2 3.25Å; V838-V842 PolarHBondContact O-N 3.4Å; V838-V842 VanDerWaalsContact O-N 3.16Å; I839-V842 PolarHBondContact O-N 2.71Å; T840-V842 VanDerWaalsContact C-N 3.31Å; T840-V842 PolarHBondContact O-N 2.98Å; V842-L844 PolarHBondContact O-N 3.09Å; V842-C845 PolarHBondContact O-N 3.12Å; V842-L855 HydrophobicContact CG2-CD2 4.26Å; V842-F858 HydrophobicContact CG2-CD2 4.26Å; V842-F858 HydrophobicContact CG2-CE2 3.97Å; V842-V886 HydrophobicContact CB-CG2 4.23Å; V842-V886 HydrophobicContact CG1-CG1 4.15Å; V842-V886 HydrophobicContact CG1-CG2 4.18Å; V842-L889 HydrophobicContact CG1-CD1 3.78Å |
| 843 | C | 95.5 | Very high | 95.5 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 3% | 0.027 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -72.2 | -27 | -176.5 | -66 | 0 | 0 | 0 | 0 | 113.2 | I839 T840 C845 L1010 L1013 L1017 | I839-C843 WeakPolarHBondContact O-CB 3.38Å; I839-C843 PolarHBondContact O-N 3.48Å; I839-C843 PolarHBondContact O-SG 3.15Å; T840-C843 PolarHBondContact O-N 3.29Å; C843-C845 VanDerWaalsContact C-N 3.33Å; C843-L1010 HydrophobicContact CB-CD2 4.29Å; C843-L1013 HydrophobicContact CB-CB 4.03Å; C843-L1013 HydrophobicContact CB-CD1 4.36Å; C843-L1017 WeakPolarHBondContact O-CD1 3.37Å |
| 844 | L | 94.2 | Very high | 95.6 | Very high | 39 Ų | 39 | 30.5 Ų | 30.5 | 20% | 0.204 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -7.8 | 174.2 | -67.1 | 177.2 | 0 | 0 | 0 | 113.2 | T840 V842 S846 I1004 L1013 | T840-L844 HydrophobicContact CG2-CD1 3.63Å; T840-L844 HydrophobicContact CG2-CG 4.34Å; T840-L844 WeakPolarHBondContact O-CB 3.33Å; T840-L844 WeakPolarHBondContact O-CG 3.19Å; T840-L844 PolarHBondContact O-N 2.83Å; V842-L844 PolarHBondContact O-N 3.09Å; L844-S846 PolarHBondContact O-N 3Å; L844-I1004 HydrophobicContact CD1-CD1 4.25Å; L844-I1004 HydrophobicContact CD2-CD1 4.26Å; L844-I1004 HydrophobicContact CG-CD1 4.38Å; L844-L1013 HydrophobicContact CD2-CD1 3.94Å |
| 845 | C | 93.7 | Very high | 95.6 | Very high | 5 Ų | 5 | 30.6 Ų | 30.6 | 3% | 0.034 | 16% | 0.159 | C | C | . | . | trans | -89.1 | 94.1 | -178.8 | -174.8 | 0 | 0 | 0 | 0 | 111.8 | L776 E841 V842 C843 Q847 R851 L854 | L776-C845 HydrophobicContact CD2-CB 4.46Å; E841-C845 WeakPolarHBondContact O-CB 3.19Å; E841-C845 PolarHBondContact O-N 3.25Å; V842-C845 PolarHBondContact O-N 3.12Å; C843-C845 VanDerWaalsContact C-N 3.33Å; C845-Q847 VanDerWaalsContact C-N 3.32Å; C845-Q847 PolarHBondContact O-N 3.49Å; C845-R851 HydrophobicContact CB-CG 3.66Å; C845-R851 WeakPolarHBondContact O-CD 3.44Å; C845-R851 WeakPolarHBondContact O-CG 3.48Å; C845-R851 PolarHBondContact O-NH1 3.26Å; C845-R851 VanDerWaalsContact O-NH1 3.07Å; C845-R851 VanDerWaalsContact SG-CG 3.58Å; C845-L854 HydrophobicContact CB-CD1 3.68Å | ||
| 846 | S | 92.5 | Very high | 95.6 | Very high | 91 Ų | 91 | 31.8 Ų | 31.8 | 64% | 0.636 | 16% | 0.163 | S | C | * | . | trans | -64 | -31.3 | -178 | 58 | 0 | 0 | 0 | 0 | 114.6 | L844 L848 R851 | L844-S846 PolarHBondContact O-N 3Å; S846-L848 PolarHBondContact O-N 2.77Å; S846-R851 PolarHBondContact O-NH1 3.2Å | ||
| 847 | Q | 94.2 | Very high | 95.7 | Very high | 109 Ų | 109 | 32.5 Ų | 32.5 | 51% | 0.509 | 17% | 0.167 | S | C | . | . | trans | -84.6 | 115 | -174.5 | -63.1 | 176.8 | 7.2 | 0 | 0 | 112.1 | C845 N849 K850 R851 | C845-Q847 VanDerWaalsContact C-N 3.32Å; C845-Q847 PolarHBondContact O-N 3.49Å; Q847-N849 PolarHBondContact O-N 3.45Å; Q847-K850 HydrophobicContact CB-CB 4.15Å; Q847-K850 HydrophobicContact CB-CD 4.43Å; Q847-K850 HydrophobicContact CB-CG 4.16Å; Q847-K850 PolarHBondContact O-N 2.88Å; Q847-R851 PolarHBondContact O-N 2.72Å | ||
| 848 | L | 95.4 | Very high | 95.8 | Very high | 36 Ų | 36 | 32.4 Ų | 32.4 | 19% | 0.188 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -50.6 | -48 | -178.4 | 176.4 | 63.2 | 0 | 0 | 0 | 113.5 | S846 K850 R851 V852 Q891 T892 K895 | S846-L848 PolarHBondContact O-N 2.77Å; L848-K850 VanDerWaalsContact C-N 3.3Å; L848-K850 PolarHBondContact O-N 2.99Å; L848-R851 WeakPolarHBondContact O-CB 3.36Å; L848-R851 PolarHBondContact O-N 3.2Å; L848-V852 WeakPolarHBondContact O-CG2 3.34Å; L848-V852 PolarHBondContact O-N 2.99Å; L848-Q891 HydrophobicContact CD1-CB 4.39Å; L848-T892 WeakPolarHBondContact CD1-OG1 3.18Å; L848-K895 HydrophobicContact CD2-CD 3.99Å; L848-K895 HydrophobicContact CG-CD 4.4Å |
| 849 | N | 95.2 | Very high | 95.8 | Very high | 119 Ų | 119 | 32.4 Ų | 32.4 | 64% | 0.636 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -63.8 | -35.9 | -178.7 | -69.8 | -19.7 | 0 | 0 | 0 | 112.4 | Q847 Q853 | Q847-N849 PolarHBondContact O-N 3.45Å; N849-Q853 PolarHBondContact O-N 3.4Å |
| 850 | K | 94.9 | Very high | 95.9 | Very high | 77 Ų | 77 | 36.3 Ų | 36.3 | 34% | 0.335 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -72.5 | -37.7 | 175.9 | -67.6 | -164.4 | 176.5 | -171.5 | 0 | 111.6 | L776 Q847 L848 V852 Q853 L854 | L776-K850 HydrophobicContact CD2-CB 4.44Å; L776-K850 HydrophobicContact CD2-CD 4.04Å; Q847-K850 HydrophobicContact CB-CB 4.15Å; Q847-K850 HydrophobicContact CB-CD 4.43Å; Q847-K850 HydrophobicContact CB-CG 4.16Å; Q847-K850 PolarHBondContact O-N 2.88Å; L848-K850 VanDerWaalsContact C-N 3.3Å; L848-K850 PolarHBondContact O-N 2.99Å; K850-V852 VanDerWaalsContact C-N 3.32Å; K850-V852 PolarHBondContact O-N 3.23Å; K850-Q853 CarbonylContact O-C 3.58Å; K850-Q853 WeakPolarHBondContact O-CA 3.5Å; K850-Q853 WeakPolarHBondContact O-CB 3.5Å; K850-Q853 PolarHBondContact O-N 3.34Å; K850-Q853 VanDerWaalsContact O-N 3.08Å; K850-L854 PolarHBondContact O-N 3Å |
| 851 | R | 96 | Very high | 96 | Very high | 8 Ų | 8 | 36.3 Ų | 36.3 | 3% | 0.03 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.4 | -43.3 | 171.6 | -72.3 | -160.1 | -57.2 | -88.5 | 10.8 | 112.6 | C845 S846 Q847 L848 Q853 L854 L855 T892 E1018 | C845-R851 HydrophobicContact CB-CG 3.66Å; C845-R851 WeakPolarHBondContact O-CD 3.44Å; C845-R851 WeakPolarHBondContact O-CG 3.48Å; C845-R851 PolarHBondContact O-NH1 3.26Å; C845-R851 VanDerWaalsContact O-NH1 3.07Å; C845-R851 VanDerWaalsContact SG-CG 3.58Å; S846-R851 PolarHBondContact O-NH1 3.2Å; Q847-R851 PolarHBondContact O-N 2.72Å; L848-R851 WeakPolarHBondContact O-CB 3.36Å; L848-R851 PolarHBondContact O-N 3.2Å; R851-Q853 VanDerWaalsContact C-N 3.28Å; R851-Q853 PolarHBondContact O-N 3.49Å; R851-L854 WeakPolarHBondContact O-CB 3.35Å; R851-L854 PolarHBondContact O-N 2.69Å; R851-L854 VanDerWaalsContact O-N 3.09Å; R851-L855 PolarHBondContact O-N 3.37Å; R851-T892 HydrophobicContact CB-CG2 3.69Å; R851-T892 PolarHBondContact NE-OG1 2.92Å; R851-T892 PolarHBondContact NH2-OG1 3.42Å; R851-E1018 IonicContact CZ-OE1 2.68Å; R851-E1018 IonicContact NE-OE1 3.34Å; R851-E1018 IonicContact NH2-OE1 3.26Å; R851-E1018 PolarHBondContact NH2-OE1 3.09Å |
| 852 | V | 97.6 | Very high | 96.2 | Very high | 9 Ų | 9 | 36.1 Ų | 36.1 | 6% | 0.055 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61 | -39.2 | 175.9 | 176.7 | 0 | 0 | 0 | 0 | 111 | L848 K850 K856 T892 K895 L896 | L848-V852 WeakPolarHBondContact O-CG2 3.34Å; L848-V852 PolarHBondContact O-N 2.99Å; K850-V852 VanDerWaalsContact C-N 3.32Å; K850-V852 PolarHBondContact O-N 3.23Å; V852-K856 WeakPolarHBondContact O-CB 3.41Å; V852-K856 PolarHBondContact O-N 3.24Å; V852-K856 VanDerWaalsContact O-N 3.14Å; V852-T892 HydrophobicContact CG2-CG2 3.93Å; V852-K895 HydrophobicContact CG2-CB 3.87Å; V852-L896 HydrophobicContact CG1-CD1 4.38Å |
| 853 | Q | 95.6 | Very high | 96.2 | Very high | 93 Ų | 93 | 37.8 Ų | 37.8 | 44% | 0.435 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -67 | -36 | 173.8 | -62.2 | -50.4 | -44.8 | 0 | 0 | 112.4 | N849 K850 R851 K856 K857 | N849-Q853 PolarHBondContact O-N 3.4Å; K850-Q853 CarbonylContact O-C 3.58Å; K850-Q853 WeakPolarHBondContact O-CA 3.5Å; K850-Q853 WeakPolarHBondContact O-CB 3.5Å; K850-Q853 PolarHBondContact O-N 3.34Å; K850-Q853 VanDerWaalsContact O-N 3.08Å; R851-Q853 VanDerWaalsContact C-N 3.28Å; R851-Q853 PolarHBondContact O-N 3.49Å; Q853-K856 PolarHBondContact O-N 3.08Å; Q853-K857 VanDerWaalsContact O-CB 3.28Å; Q853-K857 WeakPolarHBondContact O-CB 3.43Å; Q853-K857 PolarHBondContact O-N 3.05Å |
| 854 | L | 95.9 | Very high | 96.3 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62 | -49.3 | 173.7 | -79.3 | 177.4 | 0 | 0 | 0 | 112 | L776 F779 E841 C845 K850 R851 K856 K857 F858 | L776-L854 HydrophobicContact CD1-CD1 3.83Å; L776-L854 HydrophobicContact CD1-CD2 3.53Å; L776-L854 HydrophobicContact CD1-CG 3.82Å; F779-L854 HydrophobicContact CD1-CD2 3.95Å; F779-L854 HydrophobicContact CE1-CD2 3.84Å; E841-L854 WeakPolarHBondContact O-CD1 3.41Å; C845-L854 HydrophobicContact CB-CD1 3.68Å; K850-L854 PolarHBondContact O-N 3Å; R851-L854 WeakPolarHBondContact O-CB 3.35Å; R851-L854 PolarHBondContact O-N 2.69Å; R851-L854 VanDerWaalsContact O-N 3.09Å; L854-K856 VanDerWaalsContact C-N 3.3Å; L854-K856 PolarHBondContact O-N 2.84Å; L854-K857 WeakPolarHBondContact O-CA 3.29Å; L854-K857 WeakPolarHBondContact O-CB 3.29Å; L854-K857 PolarHBondContact O-N 2.85Å; L854-F858 HydrophobicContact CB-CD2 4.45Å; L854-F858 HydrophobicContact CB-CE2 4.31Å; L854-F858 HydrophobicContact CD2-CE2 4.25Å; L854-F858 VanDerWaalsContact O-CD2 3.23Å; L854-F858 WeakPolarHBondContact O-CD2 3.49Å; L854-F858 PolarHBondContact O-N 3.33Å |
| 855 | L | 97.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -54.4 | -49.3 | 175.5 | -66.7 | -171.7 | 0 | 0 | 0 | 110.8 | V842 R851 K857 F858 I859 L881 V886 T892 W893 L896 | V842-L855 HydrophobicContact CG2-CD2 4.26Å; R851-L855 PolarHBondContact O-N 3.37Å; L855-K857 VanDerWaalsContact C-N 3.29Å; L855-K857 PolarHBondContact O-N 3.07Å; L855-F858 PolarHBondContact O-N 3.49Å; L855-I859 WeakPolarHBondContact O-CD1 3.43Å; L855-I859 VanDerWaalsContact O-CG1 3.25Å; L855-I859 WeakPolarHBondContact O-CG1 3.41Å; L855-I859 PolarHBondContact O-N 3.25Å; L855-L881 HydrophobicContact CD2-CD2 3.69Å; L855-V886 HydrophobicContact CD2-CG1 4.05Å; L855-T892 HydrophobicContact CD1-CG2 3.57Å; L855-T892 HydrophobicContact CG-CG2 4.12Å; L855-W893 HydrophobicContact CD1-CD2 3.8Å; L855-W893 HydrophobicContact CD1-CE3 3.95Å; L855-W893 HydrophobicContact CD1-CG 4.32Å; L855-W893 HydrophobicContact CD1-CH2 4.36Å; L855-W893 HydrophobicContact CD1-CZ2 4.2Å; L855-W893 HydrophobicContact CD1-CZ3 4.24Å; L855-W893 HydrophobicContact CD2-CH2 4.38Å; L855-W893 HydrophobicContact CD2-CZ2 4.1Å; L855-L896 HydrophobicContact CB-CD1 4.13Å |
| 856 | K | 97.4 | Very high | 96.6 | Very high | 55 Ų | 55 | 41 Ų | 41 | 24% | 0.239 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.8 | -39.1 | 176 | 176.7 | 179.3 | 164.7 | -164.9 | 0 | 112.5 | V852 Q853 L854 K860 L896 F900 | V852-K856 WeakPolarHBondContact O-CB 3.41Å; V852-K856 PolarHBondContact O-N 3.24Å; V852-K856 VanDerWaalsContact O-N 3.14Å; Q853-K856 PolarHBondContact O-N 3.08Å; L854-K856 VanDerWaalsContact C-N 3.3Å; L854-K856 PolarHBondContact O-N 2.84Å; K856-K860 VanDerWaalsContact O-CG 3.31Å; K856-K860 WeakPolarHBondContact O-CG 3.28Å; K856-K860 PolarHBondContact O-N 3.33Å; K856-K860 VanDerWaalsContact O-N 3.17Å; K856-L896 HydrophobicContact CB-CD1 4.14Å; K856-F900 HydrophobicContact CD-CD2 4.12Å; K856-F900 HydrophobicContact CD-CE2 3.68Å; K856-F900 HydrophobicContact CD-CZ 3.98Å; K856-F900 HydrophobicContact CG-CD1 4.05Å; K856-F900 HydrophobicContact CG-CD2 3.92Å; K856-F900 HydrophobicContact CG-CE1 3.82Å; K856-F900 HydrophobicContact CG-CE2 3.69Å; K856-F900 HydrophobicContact CG-CG 4.11Å; K856-F900 HydrophobicContact CG-CZ 3.65Å |
| 857 | K | 97.1 | Very high | 96.7 | Very high | 26 Ų | 26 | 42.5 Ų | 42.5 | 11% | 0.113 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.8 | -43.8 | -179.8 | -168.9 | -176.2 | 179.3 | 90.4 | 0 | 111.4 | F779 E780 M782 Q853 L854 L855 K860 I861 | F779-K857 HydrophobicContact CD1-CD 4.18Å; F779-K857 HydrophobicContact CE1-CD 3.66Å; F779-K857 HydrophobicContact CE2-CD 4.31Å; F779-K857 HydrophobicContact CZ-CD 3.74Å; F779-K857 VanDerWaalsContact CZ-CE 3.49Å; F779-K857 HydrophobicContact CZ-CG 4.34Å; F779-K857 WeakPolarHBondContact O-CE 3.45Å; F779-K857 PolarHBondContact O-NZ 2.8Å; E780-K857 PolarHBondContact O-NZ 3.18Å; M782-K857 PolarHBondContact O-NZ 2.91Å; Q853-K857 VanDerWaalsContact O-CB 3.28Å; Q853-K857 WeakPolarHBondContact O-CB 3.43Å; Q853-K857 PolarHBondContact O-N 3.05Å; L854-K857 WeakPolarHBondContact O-CA 3.29Å; L854-K857 WeakPolarHBondContact O-CB 3.29Å; L854-K857 PolarHBondContact O-N 2.85Å; L855-K857 VanDerWaalsContact C-N 3.29Å; L855-K857 PolarHBondContact O-N 3.07Å; K857-K860 WeakPolarHBondContact O-CB 3.42Å; K857-K860 PolarHBondContact O-N 2.76Å; K857-I861 HydrophobicContact CG-CD1 4.2Å; K857-I861 VanDerWaalsContact O-CG1 3.32Å; K857-I861 WeakPolarHBondContact O-CG1 3.1Å; K857-I861 PolarHBondContact O-N 3.07Å |
| 858 | F | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.3 | -42.2 | 176.1 | -73.6 | -56.8 | 0 | 0 | 0 | 112.3 | F779 W837 V838 E841 V842 L854 L855 K860 I861 A862 V877 L881 | F779-F858 AromaticContact CE1-CE1 3.91Å; F779-F858 HydrophobicContact CE1-CE1 3.91Å; F779-F858 HydrophobicContact CE1-CE2 4.48Å; F779-F858 AromaticContact CE1-CZ 3.79Å; F779-F858 HydrophobicContact CE1-CZ 3.79Å; F779-F858 HydrophobicContact CZ-CD1 4.42Å; F779-F858 AromaticContact CZ-CE1 3.82Å; F779-F858 HydrophobicContact CZ-CE1 3.82Å; F779-F858 HydrophobicContact CZ-CZ 4.19Å; W837-F858 HydrophobicContact CD2-CE1 4.18Å; W837-F858 AromaticContact CE3-CE1 3.92Å; W837-F858 HydrophobicContact CE3-CE1 3.92Å; W837-F858 HydrophobicContact CH2-CD1 4.17Å; W837-F858 AromaticContact CH2-CE1 3.52Å; W837-F858 HydrophobicContact CH2-CE1 3.52Å; W837-F858 AromaticContact CZ2-CE1 3.75Å; W837-F858 HydrophobicContact CZ2-CE1 3.75Å; W837-F858 HydrophobicContact CZ2-CZ 4.4Å; W837-F858 HydrophobicContact CZ3-CD1 4.09Å; W837-F858 AromaticContact CZ3-CE1 3.58Å; W837-F858 HydrophobicContact CZ3-CE1 3.58Å; V838-F858 HydrophobicContact CB-CE1 4.36Å; V838-F858 HydrophobicContact CB-CZ 4.36Å; V838-F858 HydrophobicContact CG1-CD1 4.39Å; V838-F858 HydrophobicContact CG1-CD2 3.93Å; V838-F858 HydrophobicContact CG1-CE2 4.1Å; V838-F858 HydrophobicContact CG1-CG 4.09Å; V838-F858 HydrophobicContact CG1-CZ 4.41Å; V838-F858 HydrophobicContact CG2-CD1 3.74Å; V838-F858 HydrophobicContact CG2-CE1 3.75Å; V838-F858 HydrophobicContact CG2-CG 4.24Å; V838-F858 HydrophobicContact CG2-CZ 4.25Å; E841-F858 HydrophobicContact CB-CE2 4.29Å; E841-F858 HydrophobicContact CB-CZ 3.98Å; E841-F858 HydrophobicContact CG-CZ 4.49Å; V842-F858 HydrophobicContact CG2-CD2 4.26Å; V842-F858 HydrophobicContact CG2-CE2 3.97Å; L854-F858 HydrophobicContact CB-CD2 4.45Å; L854-F858 HydrophobicContact CB-CE2 4.31Å; L854-F858 HydrophobicContact CD2-CE2 4.25Å; L854-F858 VanDerWaalsContact O-CD2 3.23Å; L854-F858 WeakPolarHBondContact O-CD2 3.49Å; L854-F858 PolarHBondContact O-N 3.33Å; L855-F858 PolarHBondContact O-N 3.49Å; F858-K860 VanDerWaalsContact C-N 3.25Å; F858-K860 PolarHBondContact O-N 2.74Å; F858-I861 HydrophobicContact CD1-CD1 4.25Å; F858-I861 PolarHBondContact O-N 3.1Å; F858-I861 VanDerWaalsContact O-N 3.11Å; F858-A862 WeakPolarHBondContact O-CB 3.44Å; F858-A862 PolarHBondContact O-N 2.9Å; F858-V877 HydrophobicContact CB-CG1 4Å; F858-V877 HydrophobicContact CD1-CG1 4.47Å; F858-L881 HydrophobicContact CB-CD1 4.27Å; F858-L881 HydrophobicContact CB-CD2 4.16Å; F858-L881 HydrophobicContact CD2-CD2 4.47Å |
| 859 | I | 98.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.9 | -39.3 | 174 | -66.8 | 163.7 | 0 | 0 | 0 | 110.9 | L855 A863 L881 L896 F900 F903 Y904 F907 | L855-I859 WeakPolarHBondContact O-CD1 3.43Å; L855-I859 VanDerWaalsContact O-CG1 3.25Å; L855-I859 WeakPolarHBondContact O-CG1 3.41Å; L855-I859 PolarHBondContact O-N 3.25Å; I859-A863 WeakPolarHBondContact O-CB 3.43Å; I859-A863 PolarHBondContact O-N 3.11Å; I859-L881 HydrophobicContact CG1-CD1 3.85Å; I859-L896 HydrophobicContact CD1-CD2 3.79Å; I859-F900 HydrophobicContact CD1-CB 4.17Å; I859-F900 HydrophobicContact CG2-CD1 4.06Å; I859-F903 HydrophobicContact CG2-CB 4.01Å; I859-Y904 HydrophobicContact CG1-CD2 4.34Å; I859-F907 HydrophobicContact CG2-CE2 4.04Å |
| 860 | K | 98.1 | Very high | 97 | Very high | 81 Ų | 81 | 34 Ų | 34 | 35% | 0.352 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -67.5 | -41.1 | 174 | -73.5 | 175.2 | 174.4 | -166.9 | 0 | 113.1 | K856 K857 F858 A863 H864 F900 | K856-K860 VanDerWaalsContact O-CG 3.31Å; K856-K860 WeakPolarHBondContact O-CG 3.28Å; K856-K860 PolarHBondContact O-N 3.33Å; K856-K860 VanDerWaalsContact O-N 3.17Å; K857-K860 WeakPolarHBondContact O-CB 3.42Å; K857-K860 PolarHBondContact O-N 2.76Å; F858-K860 VanDerWaalsContact C-N 3.25Å; F858-K860 PolarHBondContact O-N 2.74Å; K860-A863 WeakPolarHBondContact O-CB 3.32Å; K860-A863 PolarHBondContact O-N 3.1Å; K860-H864 PolarHBondContact O-CD2 3.34Å; K860-H864 PolarHBondContact O-N 3.01Å; K860-F900 HydrophobicContact CD-CE1 4.39Å; K860-F900 HydrophobicContact CG-CE1 3.87Å |
| 861 | I | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.2 | -47.6 | 176.5 | -70 | 163.9 | 0 | 0 | 0 | 109.4 | F779 V787 A788 M791 W837 K857 F858 A863 H864 C865 | F779-I861 HydrophobicContact CE2-CD1 3.96Å; F779-I861 HydrophobicContact CZ-CD1 3.6Å; V787-I861 HydrophobicContact CB-CD1 4.36Å; V787-I861 HydrophobicContact CB-CG1 4.48Å; V787-I861 HydrophobicContact CG1-CD1 3.95Å; V787-I861 HydrophobicContact CG1-CG1 4.36Å; V787-I861 HydrophobicContact CG1-CG2 4.42Å; A788-I861 HydrophobicContact CB-CG2 4.33Å; M791-I861 HydrophobicContact CE-CG2 4.27Å; W837-I861 HydrophobicContact CH2-CD1 4.13Å; K857-I861 HydrophobicContact CG-CD1 4.2Å; K857-I861 VanDerWaalsContact O-CG1 3.32Å; K857-I861 WeakPolarHBondContact O-CG1 3.1Å; K857-I861 PolarHBondContact O-N 3.07Å; F858-I861 HydrophobicContact CD1-CD1 4.25Å; F858-I861 PolarHBondContact O-N 3.1Å; F858-I861 VanDerWaalsContact O-N 3.11Å; I861-A863 VanDerWaalsContact C-N 3.34Å; I861-A863 PolarHBondContact O-N 3.08Å; I861-H864 PolarHBondContact O-N 2.82Å; I861-H864 VanDerWaalsContact O-N 3.17Å; I861-C865 PolarHBondContact O-N 3.2Å; I861-C865 PolarHBondContact O-SG 3.34Å; I861-C865 VanDerWaalsContact O-SG 3.36Å |
| 862 | A | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -56.9 | -46.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F858 H864 C865 K866 F874 V877 I878 F907 | F858-A862 WeakPolarHBondContact O-CB 3.44Å; F858-A862 PolarHBondContact O-N 2.9Å; A862-H864 VanDerWaalsContact C-N 3.31Å; A862-H864 PolarHBondContact O-N 2.78Å; A862-C865 PolarHBondContact O-N 2.81Å; A862-K866 PolarHBondContact O-N 3.05Å; A862-F874 HydrophobicContact CB-CD2 3.9Å; A862-F874 HydrophobicContact CB-CE2 4.3Å; A862-F874 WeakPolarHBondContact O-CD2 3.06Å; A862-V877 HydrophobicContact CB-CB 4.23Å; A862-V877 HydrophobicContact CB-CG1 3.92Å; A862-I878 HydrophobicContact CB-CD1 3.77Å; A862-I878 HydrophobicContact CB-CG1 4.38Å; A862-F907 HydrophobicContact CB-CE2 4.35Å |
| 863 | A | 97.4 | Very high | 97.3 | Very high | 34 Ų | 34 | 29.6 Ų | 29.6 | 28% | 0.281 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -56.1 | -43.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I859 K860 I861 K866 E867 F907 | I859-A863 WeakPolarHBondContact O-CB 3.43Å; I859-A863 PolarHBondContact O-N 3.11Å; K860-A863 WeakPolarHBondContact O-CB 3.32Å; K860-A863 PolarHBondContact O-N 3.1Å; I861-A863 VanDerWaalsContact C-N 3.34Å; I861-A863 PolarHBondContact O-N 3.08Å; A863-K866 PolarHBondContact O-N 2.71Å; A863-E867 PolarHBondContact O-N 3.43Å; A863-F907 HydrophobicContact CB-CE2 4.24Å; A863-F907 HydrophobicContact CB-CZ 3.81Å |
| 864 | H | 97.5 | Very high | 97.4 | Very high | 44 Ų | 44 | 25.2 Ų | 25.2 | 20% | 0.204 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -71.3 | -37.1 | 176.3 | -71.1 | -56.4 | 0 | 0 | 0 | 113.1 | A788 K860 I861 A862 K866 E867 Y868 | A788-H864 HydrophobicContact CB-CB 3.48Å; A788-H864 VanDerWaalsContact CB-CB 3.48Å; K860-H864 PolarHBondContact O-CD2 3.34Å; K860-H864 PolarHBondContact O-N 3.01Å; I861-H864 PolarHBondContact O-N 2.82Å; I861-H864 VanDerWaalsContact O-N 3.17Å; A862-H864 VanDerWaalsContact C-N 3.31Å; A862-H864 PolarHBondContact O-N 2.78Å; H864-K866 VanDerWaalsContact C-N 3.29Å; H864-K866 PolarHBondContact O-N 3.03Å; H864-E867 IonicContact CE1-OE2 3.15Å; H864-E867 IonicContact CG-OE2 2.73Å; H864-E867 IonicContact ND1-OE2 2.67Å; H864-E867 PolarHBondContact ND1-OE2 3.41Å; H864-E867 WeakPolarHBondContact O-CB 3.28Å; H864-E867 PolarHBondContact O-N 3.33Å; H864-Y868 HydrophobicContact CB-CE2 4.31Å; H864-Y868 WeakPolarHBondContact O-CD2 3.48Å; H864-Y868 PolarHBondContact O-N 2.86Å |
| 865 | C | 97.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.8 | -43.2 | 172.1 | -70.1 | 0 | 0 | 0 | 0 | 111.1 | I861 A862 Y868 K869 N870 A873 F874 | I861-C865 PolarHBondContact O-N 3.2Å; I861-C865 PolarHBondContact O-SG 3.34Å; I861-C865 VanDerWaalsContact O-SG 3.36Å; A862-C865 PolarHBondContact O-N 2.81Å; C865-Y868 CarbonylContact O-C 3.59Å; C865-Y868 PolarHBondContact O-N 2.78Å; C865-K869 PolarHBondContact O-N 3.46Å; C865-N870 WeakPolarHBondContact O-CA 3.34Å; C865-N870 PolarHBondContact O-N 2.77Å; C865-A873 HydrophobicContact CB-CB 4.38Å; C865-F874 HydrophobicContact CB-CB 4.13Å |
| 866 | K | 95.9 | Very high | 97.5 | Very high | 73 Ų | 73 | 25 Ų | 25 | 32% | 0.317 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -63.1 | -42.4 | 174.2 | -173.9 | -177.5 | 175.9 | -172.5 | 0 | 112 | A862 A863 H864 Y868 K869 L871 F874 F907 | A862-K866 PolarHBondContact O-N 3.05Å; A863-K866 PolarHBondContact O-N 2.71Å; H864-K866 VanDerWaalsContact C-N 3.29Å; H864-K866 PolarHBondContact O-N 3.03Å; K866-Y868 VanDerWaalsContact C-N 3.31Å; K866-Y868 PolarHBondContact O-N 3.34Å; K866-K869 WeakPolarHBondContact O-CA 3.08Å; K866-K869 PolarHBondContact O-N 3.13Å; K866-L871 HydrophobicContact CG-CD2 4.26Å; K866-F874 HydrophobicContact CB-CD2 3.81Å; K866-F874 HydrophobicContact CB-CE2 4.26Å; K866-F874 HydrophobicContact CB-CG 4.21Å; K866-F874 HydrophobicContact CD-CE2 4.17Å; K866-F874 HydrophobicContact CD-CZ 4.42Å; K866-F907 HydrophobicContact CD-CE1 4.32Å |
| 867 | E | 94.9 | Very high | 97.5 | Very high | 122 Ų | 122 | 22.3 Ų | 22.3 | 57% | 0.57 | 11% | 0.106 | S | C | * | . | H | α-helix | trans | -58.4 | -41.6 | 174.5 | -174.1 | -176.1 | -179.4 | 0 | 0 | 111.7 | A863 H864 K869 | A863-E867 PolarHBondContact O-N 3.43Å; H864-E867 IonicContact CE1-OE2 3.15Å; H864-E867 IonicContact CG-OE2 2.73Å; H864-E867 IonicContact ND1-OE2 2.67Å; H864-E867 PolarHBondContact ND1-OE2 3.41Å; H864-E867 WeakPolarHBondContact O-CB 3.28Å; H864-E867 PolarHBondContact O-N 3.33Å; E867-K869 PolarHBondContact O-N 3.41Å |
| 868 | Y | 95.9 | Very high | 97.5 | Very high | 23 Ų | 23 | 21.1 Ų | 21.1 | 9% | 0.09 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 6.1 | 174.3 | -64.1 | -46.9 | 0 | 0 | 0 | 114.4 | K785 A788 H864 C865 K866 N870 F980 P982 | K785-Y868 WeakPolarHBondContact CE-OH 2.8Å; K785-Y868 WeakPolarHBondContact CG-OH 3.26Å; A788-Y868 HydrophobicContact CB-CD2 4.35Å; A788-Y868 HydrophobicContact CB-CE2 4.19Å; H864-Y868 HydrophobicContact CB-CE2 4.31Å; H864-Y868 WeakPolarHBondContact O-CD2 3.48Å; H864-Y868 PolarHBondContact O-N 2.86Å; C865-Y868 CarbonylContact O-C 3.59Å; C865-Y868 PolarHBondContact O-N 2.78Å; K866-Y868 VanDerWaalsContact C-N 3.31Å; K866-Y868 PolarHBondContact O-N 3.34Å; Y868-N870 PolarHBondContact O-N 2.9Å; Y868-N870 VanDerWaalsContact O-N 3.16Å; Y868-F980 HydrophobicContact CD1-CE2 4.4Å; Y868-F980 HydrophobicContact CD1-CZ 4.29Å; Y868-F980 HydrophobicContact CG-CE2 4.46Å; Y868-F980 HydrophobicContact CG-CZ 4.3Å; Y868-P982 HydrophobicContact CD1-CB 4.49Å; Y868-P982 HydrophobicContact CD1-CG 4.29Å; Y868-P982 HydrophobicContact CE1-CB 4.29Å; Y868-P982 HydrophobicContact CE1-CG 4.29Å |
| 869 | K | 97 | Very high | 97.3 | Very high | 63 Ų | 63 | 23.5 Ų | 23.5 | 27% | 0.274 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 24.9 | -175.8 | -51.5 | 170.5 | -178.7 | 177.5 | 0 | 113.2 | C865 K866 E867 L871 A928 P930 V931 I932 | C865-K869 PolarHBondContact O-N 3.46Å; K866-K869 WeakPolarHBondContact O-CA 3.08Å; K866-K869 PolarHBondContact O-N 3.13Å; E867-K869 PolarHBondContact O-N 3.41Å; K869-L871 PolarHBondContact O-N 3.48Å; K869-A928 PolarHBondContact NZ-O 3.31Å; K869-P930 VanDerWaalsContact CD-O 3.25Å; K869-P930 WeakPolarHBondContact CD-O 3.43Å; K869-V931 HydrophobicContact CB-CG2 4.22Å; K869-V931 HydrophobicContact CD-CG2 4.15Å; K869-I932 PolarHBondContact O-N 2.99Å |
| 870 | N | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | B | Isolated β-bridge | trans | -89.9 | 82.6 | 169 | -176.5 | -1.9 | 0 | 0 | 0 | 109.3 | T792 D795 C865 Y868 N872 A873 F874 I932 | T792-N870 WeakPolarHBondContact CA-ND2 3.5Å; T792-N870 HydrophobicContact CG2-CB 3.7Å; T792-N870 PolarHBondContact OG1-ND2 2.63Å; D795-N870 PolarHBondContact OD2-ND2 2.96Å; C865-N870 WeakPolarHBondContact O-CA 3.34Å; C865-N870 PolarHBondContact O-N 2.77Å; Y868-N870 PolarHBondContact O-N 2.9Å; Y868-N870 VanDerWaalsContact O-N 3.16Å; N870-N872 VanDerWaalsContact C-N 3.3Å; N870-N872 PolarHBondContact OD1-N 3.47Å; N870-A873 VanDerWaalsContact ND2-CB 3.34Å; N870-A873 WeakPolarHBondContact ND2-CB 3.49Å; N870-A873 PolarHBondContact OD1-N 3.18Å; N870-F874 WeakPolarHBondContact O-CB 3.47Å; N870-F874 PolarHBondContact O-N 3.43Å; N870-I932 HydrophobicContact CB-CD1 4.4Å |
| 871 | L | 97.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -74.8 | -25.2 | -178.5 | -56.9 | -179.4 | 0 | 0 | 0 | 111.6 | K866 K869 F875 Y920 V924 L927 I932 | K866-L871 HydrophobicContact CG-CD2 4.26Å; K869-L871 PolarHBondContact O-N 3.48Å; L871-F875 HydrophobicContact CB-CD2 4.35Å; L871-F875 HydrophobicContact CB-CE2 4.27Å; L871-F875 WeakPolarHBondContact O-CD2 3.39Å; L871-F875 PolarHBondContact O-N 3.06Å; L871-Y920 HydrophobicContact CD1-CE2 3.92Å; L871-V924 HydrophobicContact CD1-CG2 3.31Å; L871-L927 HydrophobicContact CD1-CD1 3.97Å; L871-I932 WeakPolarHBondContact CB-O 3.4Å; L871-I932 PolarHBondContact N-O 3.46Å |
| 872 | N | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.1 | -56.8 | 175.6 | -160.8 | 61.5 | 0 | 0 | 0 | 111.7 | F831 N870 F875 A876 I932 P933 M935 | F831-N872 WeakPolarHBondContact CD2-O 3.39Å; F831-N872 WeakPolarHBondContact CD2-OD1 3.46Å; F831-N872 VanDerWaalsContact CE2-O 3.28Å; F831-N872 WeakPolarHBondContact CE2-O 3.39Å; N870-N872 VanDerWaalsContact C-N 3.3Å; N870-N872 PolarHBondContact OD1-N 3.47Å; N872-F875 PolarHBondContact O-N 3.28Å; N872-A876 WeakPolarHBondContact O-CB 3.36Å; N872-A876 PolarHBondContact O-N 2.84Å; N872-I932 HydrophobicContact CB-CG2 3.7Å; N872-P933 WeakPolarHBondContact CB-O 3.42Å; N872-M935 PolarHBondContact OD1-N 2.94Å |
| 873 | A | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.3 | -36.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | M791 D795 I834 C865 N870 F875 A876 V877 | M791-A873 HydrophobicContact CG-CB 4.16Å; M791-A873 HydrophobicContact SD-CB 3.73Å; D795-A873 WeakPolarHBondContact OD2-CB 3.49Å; I834-A873 HydrophobicContact CD1-CB 4.04Å; C865-A873 HydrophobicContact CB-CB 4.38Å; N870-A873 VanDerWaalsContact ND2-CB 3.34Å; N870-A873 WeakPolarHBondContact ND2-CB 3.49Å; N870-A873 PolarHBondContact OD1-N 3.18Å; A873-F875 PolarHBondContact O-N 2.98Å; A873-A876 PolarHBondContact O-N 3.14Å; A873-V877 WeakPolarHBondContact O-CG2 3.5Å; A873-V877 PolarHBondContact O-N 3.14Å |
| 874 | F | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -53.1 | -55.6 | 173.3 | 164.7 | -98.4 | 0 | 0 | 0 | 110.6 | A862 C865 K866 N870 A876 V877 I878 F907 L910 | A862-F874 HydrophobicContact CB-CD2 3.9Å; A862-F874 HydrophobicContact CB-CE2 4.3Å; A862-F874 WeakPolarHBondContact O-CD2 3.06Å; C865-F874 HydrophobicContact CB-CB 4.13Å; K866-F874 HydrophobicContact CB-CD2 3.81Å; K866-F874 HydrophobicContact CB-CE2 4.26Å; K866-F874 HydrophobicContact CB-CG 4.21Å; K866-F874 HydrophobicContact CD-CE2 4.17Å; K866-F874 HydrophobicContact CD-CZ 4.42Å; N870-F874 WeakPolarHBondContact O-CB 3.47Å; N870-F874 PolarHBondContact O-N 3.43Å; F874-A876 PolarHBondContact O-N 3.37Å; F874-V877 PolarHBondContact O-N 2.77Å; F874-I878 HydrophobicContact CD2-CG1 4.28Å; F874-I878 HydrophobicContact CE1-CG1 4.37Å; F874-I878 HydrophobicContact CE2-CD1 4.27Å; F874-I878 HydrophobicContact CE2-CG1 3.91Å; F874-I878 HydrophobicContact CZ-CG1 3.96Å; F874-I878 WeakPolarHBondContact O-CG1 3.26Å; F874-I878 PolarHBondContact O-N 2.75Å; F874-I878 VanDerWaalsContact O-N 3.08Å; F874-F907 HydrophobicContact CE2-CB 3.96Å; F874-F907 AromaticContact CE2-CD1 3.68Å; F874-F907 HydrophobicContact CE2-CD1 3.68Å; F874-F907 AromaticContact CE2-CD2 3.9Å; F874-F907 HydrophobicContact CE2-CD2 3.9Å; F874-F907 HydrophobicContact CE2-CE1 4.1Å; F874-F907 HydrophobicContact CE2-CE2 4.28Å; F874-F907 AromaticContact CE2-CG 3.57Å; F874-F907 HydrophobicContact CE2-CG 3.57Å; F874-F907 HydrophobicContact CE2-CZ 4.37Å; F874-F907 HydrophobicContact CZ-CB 3.69Å; F874-F907 AromaticContact CZ-CD1 3.84Å; F874-F907 HydrophobicContact CZ-CD1 3.84Å; F874-F907 HydrophobicContact CZ-CD2 4.49Å; F874-F907 AromaticContact CZ-CG 3.76Å; F874-F907 HydrophobicContact CZ-CG 3.76Å; F874-L910 HydrophobicContact CE1-CD2 3.81Å; F874-L910 HydrophobicContact CZ-CD2 4.28Å |
| 875 | F | 97.6 | Very high | 96 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 0% | 0.004 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -67.1 | -35.5 | -179.9 | -75.8 | -62.9 | 0 | 0 | 0 | 113 | F831 L871 N872 A873 V877 I878 L879 L910 M911 Y920 F934 | F831-F875 HydrophobicContact CE2-CB 4.1Å; F831-F875 HydrophobicContact CZ-CB 4.35Å; L871-F875 HydrophobicContact CB-CD2 4.35Å; L871-F875 HydrophobicContact CB-CE2 4.27Å; L871-F875 WeakPolarHBondContact O-CD2 3.39Å; L871-F875 PolarHBondContact O-N 3.06Å; N872-F875 PolarHBondContact O-N 3.28Å; A873-F875 PolarHBondContact O-N 2.98Å; F875-V877 VanDerWaalsContact C-N 3.29Å; F875-V877 PolarHBondContact O-N 3.41Å; F875-I878 PolarHBondContact O-N 2.63Å; F875-L879 WeakPolarHBondContact O-CB 3.5Å; F875-L879 WeakPolarHBondContact O-CG 3.21Å; F875-L879 PolarHBondContact O-N 3.26Å; F875-L910 HydrophobicContact CE1-CB 4.3Å; F875-L910 HydrophobicContact CE1-CD2 4.4Å; F875-L910 HydrophobicContact CE1-CG 4.22Å; F875-L910 HydrophobicContact CZ-CB 4.41Å; F875-L910 HydrophobicContact CZ-CD2 3.9Å; F875-L910 HydrophobicContact CZ-CG 3.83Å; F875-M911 HydrophobicContact CD1-CG 3.52Å; F875-M911 HydrophobicContact CD1-SD 4.02Å; F875-M911 HydrophobicContact CE1-CB 4.43Å; F875-M911 HydrophobicContact CE1-CG 3.46Å; F875-M911 VanDerWaalsContact CE1-CG 3.46Å; F875-Y920 AromaticContact CE2-CD2 3.48Å; F875-Y920 HydrophobicContact CE2-CD2 3.48Å; F875-Y920 VanDerWaalsContact CE2-CD2 3.48Å; F875-Y920 AromaticContact CE2-CE2 3.71Å; F875-Y920 HydrophobicContact CE2-CE2 3.71Å; F875-Y920 HydrophobicContact CE2-CG 4.49Å; F875-Y920 AromaticContact CZ-CD2 3.7Å; F875-Y920 HydrophobicContact CZ-CD2 3.7Å; F875-Y920 HydrophobicContact CZ-CE2 4.39Å; F875-Y920 HydrophobicContact CZ-CG 4.44Å; F875-F934 HydrophobicContact CB-CD2 3.93Å; F875-F934 HydrophobicContact CB-CE2 4.02Å; F875-F934 HydrophobicContact CB-CG 4.46Å; F875-F934 HydrophobicContact CD2-CB 3.67Å; F875-F934 HydrophobicContact CD2-CD1 4.04Å; F875-F934 AromaticContact CD2-CD2 3.88Å; F875-F934 HydrophobicContact CD2-CD2 3.88Å; F875-F934 AromaticContact CD2-CG 3.59Å; F875-F934 HydrophobicContact CD2-CG 3.59Å; F875-F934 HydrophobicContact CE2-CB 3.9Å; F875-F934 HydrophobicContact CE2-CD1 4.23Å; F875-F934 HydrophobicContact CE2-CG 4.07Å; F875-F934 HydrophobicContact CG-CD1 4.45Å; F875-F934 HydrophobicContact CG-CD2 4.16Å; F875-F934 HydrophobicContact CG-CE2 4.46Å; F875-F934 HydrophobicContact CG-CG 4.19Å |
| 876 | A | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58.1 | -43.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | F831 I834 Q835 N872 A873 F874 G880 | F831-A876 HydrophobicContact CD2-CB 3.75Å; F831-A876 HydrophobicContact CE1-CB 4.44Å; F831-A876 HydrophobicContact CE2-CB 3.68Å; F831-A876 HydrophobicContact CG-CB 4.18Å; F831-A876 HydrophobicContact CZ-CB 4.03Å; F831-A876 WeakPolarHBondContact O-CB 3.47Å; I834-A876 HydrophobicContact CB-CB 3.79Å; I834-A876 HydrophobicContact CG2-CB 3.64Å; Q835-A876 WeakPolarHBondContact CA-O 3.5Å; N872-A876 WeakPolarHBondContact O-CB 3.36Å; N872-A876 PolarHBondContact O-N 2.84Å; A873-A876 PolarHBondContact O-N 3.14Å; F874-A876 PolarHBondContact O-N 3.37Å; A876-G880 PolarHBondContact O-N 3.41Å |
| 877 | V | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.5 | -45.4 | 176.9 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | I834 V838 F858 A862 A873 F874 F875 G880 L881 | I834-V877 HydrophobicContact CG2-CG2 3.77Å; V838-V877 HydrophobicContact CG2-CB 4.32Å; V838-V877 HydrophobicContact CG2-CG1 4.1Å; V838-V877 HydrophobicContact CG2-CG2 4.18Å; F858-V877 HydrophobicContact CB-CG1 4Å; F858-V877 HydrophobicContact CD1-CG1 4.47Å; A862-V877 HydrophobicContact CB-CB 4.23Å; A862-V877 HydrophobicContact CB-CG1 3.92Å; A873-V877 WeakPolarHBondContact O-CG2 3.5Å; A873-V877 PolarHBondContact O-N 3.14Å; F874-V877 PolarHBondContact O-N 2.77Å; F875-V877 VanDerWaalsContact C-N 3.29Å; F875-V877 PolarHBondContact O-N 3.41Å; V877-G880 PolarHBondContact O-N 3.04Å; V877-L881 HydrophobicContact CG1-CD1 4.47Å; V877-L881 WeakPolarHBondContact O-CG 3.33Å; V877-L881 PolarHBondContact O-N 3.48Å; V877-L881 VanDerWaalsContact O-N 3.09Å |
| 878 | I | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.2 | -44.6 | -179.5 | -57.8 | -55.7 | 0 | 0 | 0 | 111.2 | A862 F874 F875 G880 L881 S882 Y904 F907 E908 M911 | A862-I878 HydrophobicContact CB-CD1 3.77Å; A862-I878 HydrophobicContact CB-CG1 4.38Å; F874-I878 HydrophobicContact CD2-CG1 4.28Å; F874-I878 HydrophobicContact CE1-CG1 4.37Å; F874-I878 HydrophobicContact CE2-CD1 4.27Å; F874-I878 HydrophobicContact CE2-CG1 3.91Å; F874-I878 HydrophobicContact CZ-CG1 3.96Å; F874-I878 WeakPolarHBondContact O-CG1 3.26Å; F874-I878 PolarHBondContact O-N 2.75Å; F874-I878 VanDerWaalsContact O-N 3.08Å; F875-I878 PolarHBondContact O-N 2.63Å; I878-G880 PolarHBondContact O-N 3.04Å; I878-L881 HydrophobicContact CD1-CD1 4.47Å; I878-L881 WeakPolarHBondContact O-CA 3.48Å; I878-L881 WeakPolarHBondContact O-CB 3.33Å; I878-L881 PolarHBondContact O-N 3.16Å; I878-S882 PolarHBondContact O-N 3.2Å; I878-S882 PolarHBondContact O-OG 2.87Å; I878-Y904 HydrophobicContact CD1-CD2 4.45Å; I878-Y904 HydrophobicContact CG2-CE2 4.23Å; I878-F907 HydrophobicContact CD1-CB 3.71Å; I878-F907 HydrophobicContact CD1-CD2 3.57Å; I878-F907 HydrophobicContact CD1-CG 4.05Å; I878-F907 HydrophobicContact CG1-CB 4.01Å; I878-E908 HydrophobicContact CG2-CG 4.2Å; I878-M911 HydrophobicContact CB-CE 4.49Å; I878-M911 HydrophobicContact CB-SD 4.07Å; I878-M911 HydrophobicContact CG2-CE 3.44Å; I878-M911 VanDerWaalsContact CG2-CE 3.44Å; I878-M911 HydrophobicContact CG2-SD 3.59Å; I878-M911 VanDerWaalsContact CG2-SD 3.59Å |
| 879 | L | 94.3 | Very high | 95.8 | Very high | 51 Ų | 51 | 16.8 Ų | 16.8 | 27% | 0.267 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -63.8 | -27.6 | 174.8 | -70.9 | -179.2 | 0 | 0 | 0 | 112.8 | F831 Q835 F875 H883 M911 | F831-L879 HydrophobicContact CE1-CD1 3.95Å; F831-L879 HydrophobicContact CZ-CD1 3.67Å; Q835-L879 HydrophobicContact CG-CB 4.38Å; F875-L879 WeakPolarHBondContact O-CB 3.5Å; F875-L879 WeakPolarHBondContact O-CG 3.21Å; F875-L879 PolarHBondContact O-N 3.26Å; L879-H883 PolarHBondContact O-N 2.89Å; L879-M911 HydrophobicContact CD2-CE 4.08Å; L879-M911 HydrophobicContact CD2-SD 3.48Å; L879-M911 WeakPolarHBondContact CD2-SD 3.46Å; L879-M911 HydrophobicContact CG-SD 3.87Å |
| 880 | G | 96.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.8 | -35 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I839 A876 V877 I878 H883 | I839-G880 WeakPolarHBondContact CG1-O 3.25Å; A876-G880 PolarHBondContact O-N 3.41Å; V877-G880 PolarHBondContact O-N 3.04Å; I878-G880 PolarHBondContact O-N 3.04Å; G880-H883 WeakPolarHBondContact O-CB 3Å |
| 881 | L | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -77.9 | -37.8 | 176.6 | -66.7 | 175.9 | 0 | 0 | 0 | 112.9 | V838 L855 F858 I859 V877 I878 H883 V886 W893 Y904 | V838-L881 HydrophobicContact CG1-CD2 3.72Å; V838-L881 HydrophobicContact CG1-CG 4.03Å; L855-L881 HydrophobicContact CD2-CD2 3.69Å; F858-L881 HydrophobicContact CB-CD1 4.27Å; F858-L881 HydrophobicContact CB-CD2 4.16Å; F858-L881 HydrophobicContact CD2-CD2 4.47Å; I859-L881 HydrophobicContact CG1-CD1 3.85Å; V877-L881 HydrophobicContact CG1-CD1 4.47Å; V877-L881 WeakPolarHBondContact O-CG 3.33Å; V877-L881 PolarHBondContact O-N 3.48Å; V877-L881 VanDerWaalsContact O-N 3.09Å; I878-L881 HydrophobicContact CD1-CD1 4.47Å; I878-L881 WeakPolarHBondContact O-CA 3.48Å; I878-L881 WeakPolarHBondContact O-CB 3.33Å; I878-L881 PolarHBondContact O-N 3.16Å; L881-H883 PolarHBondContact O-N 3.23Å; L881-V886 HydrophobicContact CD2-CG1 4.42Å; L881-V886 WeakPolarHBondContact O-CG1 3.43Å; L881-W893 HydrophobicContact CB-CH2 4.28Å; L881-W893 HydrophobicContact CB-CZ2 4.42Å; L881-Y904 HydrophobicContact CB-CD2 4.48Å; L881-Y904 HydrophobicContact CB-CE2 3.56Å; L881-Y904 HydrophobicContact CD1-CD2 3.98Å; L881-Y904 HydrophobicContact CD1-CE2 3.86Å; L881-Y904 HydrophobicContact CG-CE2 4.38Å |
| 882 | S | 93.3 | Very high | 95.4 | Very high | 31 Ų | 31 | 20.5 Ų | 20.5 | 22% | 0.217 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -72.8 | -13.4 | 176 | -53.7 | 0 | 0 | 0 | 0 | 112.7 | I878 S887 Y904 E908 | I878-S882 PolarHBondContact O-N 3.2Å; I878-S882 PolarHBondContact O-OG 2.87Å; S882-S887 PolarHBondContact O-OG 3.28Å; S882-Y904 VanDerWaalsContact CA-OH 3.32Å; S882-Y904 WeakPolarHBondContact CA-OH 3.3Å; S882-Y904 PolarHBondContact N-OH 2.91Å; S882-Y904 PolarHBondContact OG-OH 2.64Å; S882-E908 PolarHBondContact OG-OE1 3.37Å |
| 883 | H | 93.2 | Very high | 95.4 | Very high | 15 Ų | 15 | 22.2 Ų | 22.2 | 7% | 0.069 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -53.5 | 137.9 | -178.6 | -173 | -101.5 | 0 | 0 | 0 | 112.8 | I839 L879 G880 L881 A885 V886 S887 Q1007 | I839-H883 HydrophobicContact CD1-CB 3.76Å; I839-H883 HydrophobicContact CG1-CB 3.82Å; L879-H883 PolarHBondContact O-N 2.89Å; G880-H883 WeakPolarHBondContact O-CB 3Å; L881-H883 PolarHBondContact O-N 3.23Å; H883-A885 WeakPolarHBondContact ND1-CB 3.21Å; H883-A885 PolarHBondContact ND1-N 2.65Å; H883-A885 PolarHBondContact O-N 2.7Å; H883-V886 WeakPolarHBondContact O-CA 3.45Å; H883-V886 PolarHBondContact O-N 3.08Å; H883-S887 PolarHBondContact O-N 2.84Å; H883-S887 PolarHBondContact O-OG 3.19Å; H883-S887 VanDerWaalsContact O-OG 3.1Å; H883-Q1007 PolarHBondContact CE1-NE2 3.44Å; H883-Q1007 PolarHBondContact CE1-OE1 2.87Å; H883-Q1007 PolarHBondContact NE2-NE2 3.3Å; H883-Q1007 PolarHBondContact NE2-OE1 3.5Å |
| 884 | P | 90.1 | Very high | 95.2 | Very high | 76 Ų | 76 | 28.6 Ų | 28.6 | 49% | 0.494 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -53.9 | -33.5 | -174.8 | -30.3 | 36.3 | 0 | 0 | 0 | 115.5 | V886 S887 R888 | P884-V886 VanDerWaalsContact C-N 3.27Å; P884-V886 PolarHBondContact O-N 3.06Å; P884-S887 WeakPolarHBondContact CA-OG 3.36Å; P884-R888 WeakPolarHBondContact O-CB 3.36Å; P884-R888 WeakPolarHBondContact O-CG 3.43Å; P884-R888 PolarHBondContact O-N 3.26Å |
| 885 | A | 90.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.008 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.1 | -23.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | I839 H883 L1010 S1014 | I839-A885 HydrophobicContact CG2-CB 4.23Å; H883-A885 WeakPolarHBondContact ND1-CB 3.21Å; H883-A885 PolarHBondContact ND1-N 2.65Å; H883-A885 PolarHBondContact O-N 2.7Å; A885-L1010 HydrophobicContact CB-CB 4.34Å; A885-S1014 WeakPolarHBondContact O-CB 3.42Å; A885-S1014 PolarHBondContact O-OG 3.17Å |
| 886 | V | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -101.1 | -46.9 | 180 | 179.2 | 0 | 0 | 0 | 0 | 111.3 | I839 V842 L855 L881 H883 P884 R888 L889 W893 | I839-V886 HydrophobicContact CB-CG2 4.39Å; I839-V886 HydrophobicContact CG1-CG2 4.32Å; I839-V886 HydrophobicContact CG2-CG2 4.09Å; V842-V886 HydrophobicContact CB-CG2 4.23Å; V842-V886 HydrophobicContact CG1-CG1 4.15Å; V842-V886 HydrophobicContact CG1-CG2 4.18Å; L855-V886 HydrophobicContact CD2-CG1 4.05Å; L881-V886 HydrophobicContact CD2-CG1 4.42Å; L881-V886 WeakPolarHBondContact O-CG1 3.43Å; H883-V886 WeakPolarHBondContact O-CA 3.45Å; H883-V886 PolarHBondContact O-N 3.08Å; P884-V886 VanDerWaalsContact C-N 3.27Å; P884-V886 PolarHBondContact O-N 3.06Å; V886-R888 PolarHBondContact O-N 3.44Å; V886-L889 WeakPolarHBondContact O-CB 3.5Å; V886-L889 PolarHBondContact O-N 2.94Å; V886-L889 VanDerWaalsContact O-N 3.14Å; V886-W893 HydrophobicContact CG1-CZ2 4.12Å; V886-W893 PolarHBondContact O-NE1 2.96Å |
| 887 | S | 93.4 | Very high | 94.9 | Very high | 57 Ų | 57 | 37.6 Ų | 37.6 | 40% | 0.399 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.9 | -27.5 | -177.5 | 56.8 | 0 | 0 | 0 | 0 | 113 | S882 H883 P884 L889 | S882-S887 PolarHBondContact O-OG 3.28Å; H883-S887 PolarHBondContact O-N 2.84Å; H883-S887 PolarHBondContact O-OG 3.19Å; H883-S887 VanDerWaalsContact O-OG 3.1Å; P884-S887 WeakPolarHBondContact CA-OG 3.36Å; S887-L889 VanDerWaalsContact C-N 3.28Å; S887-L889 PolarHBondContact O-N 3.04Å |
| 888 | R | 93.9 | Very high | 94.4 | Very high | 55 Ų | 55 | 42.2 Ų | 42.2 | 21% | 0.208 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -13.6 | 176.3 | 75.2 | 170.5 | -65.9 | -66.8 | -9.8 | 115.8 | P884 V886 S890 S1014 E1018 | P884-R888 WeakPolarHBondContact O-CB 3.36Å; P884-R888 WeakPolarHBondContact O-CG 3.43Å; P884-R888 PolarHBondContact O-N 3.26Å; V886-R888 PolarHBondContact O-N 3.44Å; R888-S890 PolarHBondContact O-N 2.99Å; R888-S1014 VanDerWaalsContact CD-OG 3.32Å; R888-S1014 WeakPolarHBondContact CD-OG 3.36Å; R888-S1014 WeakPolarHBondContact CG-OG 3.32Å; R888-S1014 PolarHBondContact NH1-O 3.38Å; R888-S1014 PolarHBondContact NH1-OG 3.41Å; R888-E1018 VanDerWaalsContact CZ-O 3.23Å; R888-E1018 PolarHBondContact NH1-O 3.43Å; R888-E1018 PolarHBondContact NH2-O 2.99Å |
| 889 | L | 95 | Very high | 94 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | trans | -76.8 | 67 | -174.4 | -62.5 | 175.6 | 0 | 0 | 0 | 110.9 | V842 V886 S887 Q891 T892 W893 S1014 L1017 E1018 | V842-L889 HydrophobicContact CG1-CD1 3.78Å; V886-L889 WeakPolarHBondContact O-CB 3.5Å; V886-L889 PolarHBondContact O-N 2.94Å; V886-L889 VanDerWaalsContact O-N 3.14Å; S887-L889 VanDerWaalsContact C-N 3.28Å; S887-L889 PolarHBondContact O-N 3.04Å; L889-Q891 VanDerWaalsContact C-N 3.28Å; L889-Q891 PolarHBondContact O-N 2.7Å; L889-T892 WeakPolarHBondContact O-CB 3.29Å; L889-T892 PolarHBondContact O-N 3.08Å; L889-W893 VanDerWaalsContact O-CD1 3.23Å; L889-W893 PolarHBondContact O-N 2.87Å; L889-S1014 WeakPolarHBondContact CD2-OG 3.35Å; L889-L1017 HydrophobicContact CD2-CB 4.3Å; L889-E1018 WeakPolarHBondContact CA-OE2 3.36Å; L889-E1018 HydrophobicContact CD2-CB 3.94Å; L889-E1018 HydrophobicContact CD2-CG 3.93Å | ||
| 890 | S | 94.1 | Very high | 94 | Very high | 64 Ų | 64 | 47.1 Ų | 47.1 | 45% | 0.448 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -57.9 | -37.9 | -169.6 | 68.2 | 0 | 0 | 0 | 0 | 112.8 | R888 T892 W893 E894 E1018 | R888-S890 PolarHBondContact O-N 2.99Å; S890-T892 VanDerWaalsContact C-N 3.28Å; S890-T892 PolarHBondContact O-N 3.43Å; S890-W893 PolarHBondContact O-N 2.86Å; S890-E894 VanDerWaalsContact O-CB 3.3Å; S890-E894 WeakPolarHBondContact O-CB 3.44Å; S890-E894 VanDerWaalsContact O-CG 3.24Å; S890-E894 WeakPolarHBondContact O-CG 3.49Å; S890-E894 PolarHBondContact O-N 3.34Å; S890-E1018 PolarHBondContact N-OE2 3.01Å |
| 891 | Q | 95.1 | Very high | 93.7 | Very high | 79 Ų | 79 | 51.3 Ų | 51.3 | 37% | 0.369 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.5 | -33.2 | 179.4 | -56 | 178 | 39.1 | 0 | 0 | 111.6 | L848 L889 E1018 | L848-Q891 HydrophobicContact CD1-CB 4.39Å; L889-Q891 VanDerWaalsContact C-N 3.28Å; L889-Q891 PolarHBondContact O-N 2.7Å; Q891-E1018 WeakPolarHBondContact CB-OE2 3.38Å; Q891-E1018 PolarHBondContact N-OE2 3.23Å |
| 892 | T | 96.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -71 | -46.8 | 175.8 | -55.6 | 0 | 0 | 0 | 0 | 110.5 | L848 R851 V852 L855 L889 S890 K895 L896 E1018 | L848-T892 WeakPolarHBondContact CD1-OG1 3.18Å; R851-T892 HydrophobicContact CB-CG2 3.69Å; R851-T892 PolarHBondContact NE-OG1 2.92Å; R851-T892 PolarHBondContact NH2-OG1 3.42Å; V852-T892 HydrophobicContact CG2-CG2 3.93Å; L855-T892 HydrophobicContact CD1-CG2 3.57Å; L855-T892 HydrophobicContact CG-CG2 4.12Å; L889-T892 WeakPolarHBondContact O-CB 3.29Å; L889-T892 PolarHBondContact O-N 3.08Å; S890-T892 VanDerWaalsContact C-N 3.28Å; S890-T892 PolarHBondContact O-N 3.43Å; T892-K895 PolarHBondContact O-N 3.29Å; T892-L896 PolarHBondContact O-N 3.18Å; T892-E1018 PolarHBondContact N-OE1 3.39Å; T892-E1018 PolarHBondContact OG1-OE1 2.75Å |
| 893 | W | 96.3 | Very high | 93 | Very high | 36 Ų | 36 | 58.7 Ų | 58.7 | 14% | 0.136 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67 | -40 | 178.9 | -74.2 | 106.2 | 0 | 0 | 0 | 112.9 | L855 L881 V886 L889 S890 K895 L896 K901 Y904 | L855-W893 HydrophobicContact CD1-CD2 3.8Å; L855-W893 HydrophobicContact CD1-CE3 3.95Å; L855-W893 HydrophobicContact CD1-CG 4.32Å; L855-W893 HydrophobicContact CD1-CH2 4.36Å; L855-W893 HydrophobicContact CD1-CZ2 4.2Å; L855-W893 HydrophobicContact CD1-CZ3 4.24Å; L855-W893 HydrophobicContact CD2-CH2 4.38Å; L855-W893 HydrophobicContact CD2-CZ2 4.1Å; L881-W893 HydrophobicContact CB-CH2 4.28Å; L881-W893 HydrophobicContact CB-CZ2 4.42Å; V886-W893 HydrophobicContact CG1-CZ2 4.12Å; V886-W893 PolarHBondContact O-NE1 2.96Å; L889-W893 VanDerWaalsContact O-CD1 3.23Å; L889-W893 PolarHBondContact O-N 2.87Å; S890-W893 PolarHBondContact O-N 2.86Å; W893-K895 VanDerWaalsContact C-N 3.29Å; W893-K895 PolarHBondContact O-N 3.22Å; W893-L896 HydrophobicContact CE3-CD2 3.93Å; W893-L896 HydrophobicContact CZ3-CD2 3.91Å; W893-L896 VanDerWaalsContact O-CB 3.26Å; W893-L896 WeakPolarHBondContact O-CB 3.24Å; W893-L896 PolarHBondContact O-N 3.11Å; W893-L896 VanDerWaalsContact O-N 3.09Å; W893-K901 WeakPolarHBondContact O-CE 3.38Å; W893-K901 PolarHBondContact O-NZ 3.27Å; W893-Y904 AromaticContact CH2-CD1 3.99Å; W893-Y904 HydrophobicContact CH2-CD1 3.99Å; W893-Y904 HydrophobicContact CH2-CD2 4.17Å; W893-Y904 AromaticContact CH2-CE1 3.75Å; W893-Y904 HydrophobicContact CH2-CE1 3.75Å; W893-Y904 AromaticContact CH2-CE2 3.95Å; W893-Y904 HydrophobicContact CH2-CE2 3.95Å; W893-Y904 HydrophobicContact CH2-CG 4.18Å; W893-Y904 AromaticContact CH2-CZ 3.72Å; W893-Y904 AromaticContact CZ3-CD1 3.8Å; W893-Y904 HydrophobicContact CZ3-CD1 3.8Å; W893-Y904 HydrophobicContact CZ3-CD2 4.47Å; W893-Y904 AromaticContact CZ3-CE1 3.96Å; W893-Y904 HydrophobicContact CZ3-CE1 3.96Å; W893-Y904 HydrophobicContact CZ3-CG 4.06Å |
| 894 | E | 93.8 | Very high | 92.9 | Very high | 134 Ų | 134 | 58.9 Ų | 58.9 | 63% | 0.626 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -56.2 | -43.4 | 177.4 | -81.7 | 171.9 | -162.8 | 0 | 0 | 111.9 | S890 L896 K901 | S890-E894 VanDerWaalsContact O-CB 3.3Å; S890-E894 WeakPolarHBondContact O-CB 3.44Å; S890-E894 VanDerWaalsContact O-CG 3.24Å; S890-E894 WeakPolarHBondContact O-CG 3.49Å; S890-E894 PolarHBondContact O-N 3.34Å; E894-L896 VanDerWaalsContact C-N 3.29Å; E894-L896 PolarHBondContact O-N 3.42Å; E894-K901 PolarHBondContact O-NZ 2.81Å |
| 895 | K | 96.5 | Very high | 92.8 | Very high | 122 Ų | 122 | 56.2 Ų | 56.2 | 53% | 0.53 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -5.8 | 179.9 | -71.2 | -171.5 | 178.4 | -174.6 | 0 | 114.7 | L848 V852 T892 W893 | L848-K895 HydrophobicContact CD2-CD 3.99Å; L848-K895 HydrophobicContact CG-CD 4.4Å; V852-K895 HydrophobicContact CG2-CB 3.87Å; T892-K895 PolarHBondContact O-N 3.29Å; W893-K895 VanDerWaalsContact C-N 3.29Å; W893-K895 PolarHBondContact O-N 3.22Å |
| 896 | L | 96.6 | Very high | 92.6 | Very high | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -67.6 | 132.2 | 175 | -172.7 | 69.3 | 0 | 0 | 0 | 109.9 | V852 L855 K856 I859 T892 W893 E894 S898 F900 K901 | V852-L896 HydrophobicContact CG1-CD1 4.38Å; L855-L896 HydrophobicContact CB-CD1 4.13Å; K856-L896 HydrophobicContact CB-CD1 4.14Å; I859-L896 HydrophobicContact CD1-CD2 3.79Å; T892-L896 PolarHBondContact O-N 3.18Å; W893-L896 HydrophobicContact CE3-CD2 3.93Å; W893-L896 HydrophobicContact CZ3-CD2 3.91Å; W893-L896 VanDerWaalsContact O-CB 3.26Å; W893-L896 WeakPolarHBondContact O-CB 3.24Å; W893-L896 PolarHBondContact O-N 3.11Å; W893-L896 VanDerWaalsContact O-N 3.09Å; E894-L896 VanDerWaalsContact C-N 3.29Å; E894-L896 PolarHBondContact O-N 3.42Å; L896-S898 PolarHBondContact O-N 3.12Å; L896-F900 HydrophobicContact CD1-CB 4.04Å; L896-F900 HydrophobicContact CD2-CB 4.04Å; L896-F900 HydrophobicContact CG-CB 3.96Å; L896-K901 HydrophobicContact CB-CG 4.21Å; L896-K901 HydrophobicContact CD2-CG 3.99Å; L896-K901 HydrophobicContact CG-CG 4.28Å; L896-K901 WeakPolarHBondContact O-CE 3.13Å |
| 897 | P | 95.1 | Very high | 92.4 | Very high | 63 Ų | 63 | 58.8 Ų | 58.8 | 41% | 0.409 | 30% | 0.297 | S | S | . | . | trans | -59.2 | 140.3 | 178.4 | -22.6 | 32.4 | 0 | 0 | 0 | 112 | K899 F900 K901 | P897-K899 PolarHBondContact O-N 2.92Å; P897-K899 VanDerWaalsContact O-N 3.09Å; P897-F900 HydrophobicContact CB-CD2 4.14Å; P897-F900 HydrophobicContact CG-CD2 4.26Å; P897-F900 PolarHBondContact O-N 2.85Å; P897-K901 PolarHBondContact O-N 3.02Å | ||
| 898 | S | 87.6 | Confident | 92.1 | Very high | 98 Ų | 98 | 59.4 Ų | 59.4 | 69% | 0.685 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -52.2 | -36.8 | -175.2 | 55.9 | 0 | 0 | 0 | 0 | 113.9 | L896 F900 K901 K902 | L896-S898 PolarHBondContact O-N 3.12Å; S898-F900 VanDerWaalsContact C-N 3.29Å; S898-F900 PolarHBondContact O-N 3.49Å; S898-K901 PolarHBondContact O-N 3.33Å; S898-K902 PolarHBondContact O-N 3.01Å |
| 899 | K | 90.1 | Very high | 91.7 | Very high | 129 Ų | 129 | 57.6 Ų | 57.6 | 56% | 0.561 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -52.8 | -43.7 | 173.3 | -179.7 | 177.5 | 179 | 174.3 | 0 | 112.9 | P897 F903 | P897-K899 PolarHBondContact O-N 2.92Å; P897-K899 VanDerWaalsContact O-N 3.09Å; K899-F903 HydrophobicContact CD-CE2 4.44Å; K899-F903 HydrophobicContact CG-CD2 4.48Å; K899-F903 HydrophobicContact CG-CE2 4.06Å; K899-F903 HydrophobicContact CG-CZ 4.36Å; K899-F903 PolarHBondContact O-N 3.35Å |
| 900 | F | 93.3 | Very high | 91.4 | Very high | 24 Ų | 24 | 58.2 Ų | 58.2 | 11% | 0.105 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -81.5 | -31.2 | -178.4 | -67.5 | -77.9 | 0 | 0 | 0 | 112.2 | K856 I859 K860 L896 P897 S898 K902 F903 Y904 | K856-F900 HydrophobicContact CD-CD2 4.12Å; K856-F900 HydrophobicContact CD-CE2 3.68Å; K856-F900 HydrophobicContact CD-CZ 3.98Å; K856-F900 HydrophobicContact CG-CD1 4.05Å; K856-F900 HydrophobicContact CG-CD2 3.92Å; K856-F900 HydrophobicContact CG-CE1 3.82Å; K856-F900 HydrophobicContact CG-CE2 3.69Å; K856-F900 HydrophobicContact CG-CG 4.11Å; K856-F900 HydrophobicContact CG-CZ 3.65Å; I859-F900 HydrophobicContact CD1-CB 4.17Å; I859-F900 HydrophobicContact CG2-CD1 4.06Å; K860-F900 HydrophobicContact CD-CE1 4.39Å; K860-F900 HydrophobicContact CG-CE1 3.87Å; L896-F900 HydrophobicContact CD1-CB 4.04Å; L896-F900 HydrophobicContact CD2-CB 4.04Å; L896-F900 HydrophobicContact CG-CB 3.96Å; P897-F900 HydrophobicContact CB-CD2 4.14Å; P897-F900 HydrophobicContact CG-CD2 4.26Å; P897-F900 PolarHBondContact O-N 2.85Å; S898-F900 VanDerWaalsContact C-N 3.29Å; S898-F900 PolarHBondContact O-N 3.49Å; F900-K902 VanDerWaalsContact C-N 3.3Å; F900-K902 PolarHBondContact O-N 3.24Å; F900-F903 HydrophobicContact CD1-CD2 4.2Å; F900-F903 PolarHBondContact O-N 3.03Å; F900-Y904 WeakPolarHBondContact O-CB 3.33Å; F900-Y904 PolarHBondContact O-N 3.34Å |
| 901 | K | 89.3 | Confident | 90.9 | Very high | 88 Ų | 88 | 56.8 Ų | 56.8 | 38% | 0.383 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.5 | -45.3 | 168 | -68.3 | -178.3 | 176.9 | 173.1 | 0 | 110.9 | W893 E894 L896 P897 S898 Y904 G905 | W893-K901 WeakPolarHBondContact O-CE 3.38Å; W893-K901 PolarHBondContact O-NZ 3.27Å; E894-K901 PolarHBondContact O-NZ 2.81Å; L896-K901 HydrophobicContact CB-CG 4.21Å; L896-K901 HydrophobicContact CD2-CG 3.99Å; L896-K901 HydrophobicContact CG-CG 4.28Å; L896-K901 WeakPolarHBondContact O-CE 3.13Å; P897-K901 PolarHBondContact O-N 3.02Å; S898-K901 PolarHBondContact O-N 3.33Å; K901-Y904 PolarHBondContact O-N 2.81Å; K901-G905 PolarHBondContact O-N 2.97Å |
| 902 | K | 85.9 | Confident | 90.2 | Very high | 115 Ų | 115 | 54.1 Ų | 54.1 | 50% | 0.5 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.4 | -49.5 | 176.4 | -171.9 | -178.4 | 179.6 | -171 | 0 | 112.3 | S898 F900 Y904 G905 E906 | S898-K902 PolarHBondContact O-N 3.01Å; F900-K902 VanDerWaalsContact C-N 3.3Å; F900-K902 PolarHBondContact O-N 3.24Å; K902-Y904 VanDerWaalsContact C-N 3.29Å; K902-Y904 PolarHBondContact O-N 3.35Å; K902-G905 PolarHBondContact O-N 3.42Å; K902-E906 WeakPolarHBondContact CE-OE1 3.24Å; K902-E906 IonicContact NZ-OE1 3.13Å; K902-E906 WeakPolarHBondContact O-CG 3.33Å; K902-E906 PolarHBondContact O-N 3.25Å |
| 903 | F | 90 | Very high | 89.5 | Confident | 71 Ų | 71 | 58.2 Ų | 58.2 | 31% | 0.311 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.9 | -41.9 | 176.3 | -71.7 | -26.7 | 0 | 0 | 0 | 112.6 | I859 K899 F900 E906 F907 | I859-F903 HydrophobicContact CG2-CB 4.01Å; K899-F903 HydrophobicContact CD-CE2 4.44Å; K899-F903 HydrophobicContact CG-CD2 4.48Å; K899-F903 HydrophobicContact CG-CE2 4.06Å; K899-F903 HydrophobicContact CG-CZ 4.36Å; K899-F903 PolarHBondContact O-N 3.35Å; F900-F903 HydrophobicContact CD1-CD2 4.2Å; F900-F903 PolarHBondContact O-N 3.03Å; F903-E906 PolarHBondContact O-N 3.24Å; F903-F907 HydrophobicContact CB-CE2 4.38Å; F903-F907 HydrophobicContact CB-CZ 4.44Å; F903-F907 WeakPolarHBondContact O-CD1 3.08Å; F903-F907 VanDerWaalsContact O-CD2 3.31Å; F903-F907 WeakPolarHBondContact O-CD2 3.41Å; F903-F907 WeakPolarHBondContact O-CG 3.39Å; F903-F907 PolarHBondContact O-N 3.38Å |
| 904 | Y | 92.3 | Very high | 88.6 | Confident | 19 Ų | 19 | 58.6 Ų | 58.6 | 8% | 0.075 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.7 | -46.2 | 177.6 | 180 | -106.1 | 0 | 0 | 0 | 112.1 | I859 I878 L881 S882 W893 F900 K901 K902 E906 F907 E908 | I859-Y904 HydrophobicContact CG1-CD2 4.34Å; I878-Y904 HydrophobicContact CD1-CD2 4.45Å; I878-Y904 HydrophobicContact CG2-CE2 4.23Å; L881-Y904 HydrophobicContact CB-CD2 4.48Å; L881-Y904 HydrophobicContact CB-CE2 3.56Å; L881-Y904 HydrophobicContact CD1-CD2 3.98Å; L881-Y904 HydrophobicContact CD1-CE2 3.86Å; L881-Y904 HydrophobicContact CG-CE2 4.38Å; S882-Y904 VanDerWaalsContact CA-OH 3.32Å; S882-Y904 WeakPolarHBondContact CA-OH 3.3Å; S882-Y904 PolarHBondContact N-OH 2.91Å; S882-Y904 PolarHBondContact OG-OH 2.64Å; W893-Y904 AromaticContact CH2-CD1 3.99Å; W893-Y904 HydrophobicContact CH2-CD1 3.99Å; W893-Y904 HydrophobicContact CH2-CD2 4.17Å; W893-Y904 AromaticContact CH2-CE1 3.75Å; W893-Y904 HydrophobicContact CH2-CE1 3.75Å; W893-Y904 AromaticContact CH2-CE2 3.95Å; W893-Y904 HydrophobicContact CH2-CE2 3.95Å; W893-Y904 HydrophobicContact CH2-CG 4.18Å; W893-Y904 AromaticContact CH2-CZ 3.72Å; W893-Y904 AromaticContact CZ3-CD1 3.8Å; W893-Y904 HydrophobicContact CZ3-CD1 3.8Å; W893-Y904 HydrophobicContact CZ3-CD2 4.47Å; W893-Y904 AromaticContact CZ3-CE1 3.96Å; W893-Y904 HydrophobicContact CZ3-CE1 3.96Å; W893-Y904 HydrophobicContact CZ3-CG 4.06Å; F900-Y904 WeakPolarHBondContact O-CB 3.33Å; F900-Y904 PolarHBondContact O-N 3.34Å; K901-Y904 PolarHBondContact O-N 2.81Å; K902-Y904 VanDerWaalsContact C-N 3.29Å; K902-Y904 PolarHBondContact O-N 3.35Å; Y904-E906 VanDerWaalsContact C-N 3.35Å; Y904-E906 PolarHBondContact O-N 2.99Å; Y904-F907 CarbonylContact O-C 3.53Å; Y904-F907 WeakPolarHBondContact O-CA 3.3Å; Y904-F907 WeakPolarHBondContact O-CB 3.48Å; Y904-F907 PolarHBondContact O-N 2.78Å; Y904-E908 HydrophobicContact CD1-CG 4.33Å; Y904-E908 HydrophobicContact CE1-CG 3.82Å; Y904-E908 WeakPolarHBondContact CE1-OE1 3.43Å; Y904-E908 WeakPolarHBondContact CE1-OE2 3.5Å; Y904-E908 HydrophobicContact CE2-CG 4.09Å; Y904-E908 VanDerWaalsContact CZ-OE1 3.26Å; Y904-E908 PolarHBondContact O-N 2.85Å; Y904-E908 VanDerWaalsContact OH-CD 3.25Å; Y904-E908 PolarHBondContact OH-OE1 3.46Å |
| 905 | G | 87 | Confident | 87.9 | Confident | 21 Ų | 21 | 54.6 Ų | 54.6 | 22% | 0.216 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.2 | -40.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | K901 K902 F907 E908 N909 | K901-G905 PolarHBondContact O-N 2.97Å; K902-G905 PolarHBondContact O-N 3.42Å; G905-F907 PolarHBondContact O-N 2.99Å; G905-E908 PolarHBondContact O-N 2.84Å; G905-N909 PolarHBondContact O-N 2.91Å; G905-N909 VanDerWaalsContact O-N 3.07Å; G905-N909 PolarHBondContact O-ND2 3.48Å; G905-N909 PolarHBondContact O-OD1 3.49Å |
| 906 | E | 86.9 | Confident | 87.2 | Confident | 44 Ų | 44 | 52.4 Ų | 52.4 | 21% | 0.206 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.2 | -32.7 | 172.3 | -72.5 | 174.8 | -160.7 | 0 | 0 | 112.7 | K902 F903 Y904 | K902-E906 WeakPolarHBondContact CE-OE1 3.24Å; K902-E906 IonicContact NZ-OE1 3.13Å; K902-E906 WeakPolarHBondContact O-CG 3.33Å; K902-E906 PolarHBondContact O-N 3.25Å; F903-E906 PolarHBondContact O-N 3.24Å; Y904-E906 VanDerWaalsContact C-N 3.35Å; Y904-E906 PolarHBondContact O-N 2.99Å |
| 907 | F | 91.8 | Very high | 86.7 | Confident | 10 Ų | 10 | 53.3 Ų | 53.3 | 4% | 0.044 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -76 | -39.6 | 177.2 | -63.3 | -17.5 | 0 | 0 | 0 | 112.3 | I859 A862 A863 K866 F874 I878 F903 Y904 G905 N909 L910 | I859-F907 HydrophobicContact CG2-CE2 4.04Å; A862-F907 HydrophobicContact CB-CE2 4.35Å; A863-F907 HydrophobicContact CB-CE2 4.24Å; A863-F907 HydrophobicContact CB-CZ 3.81Å; K866-F907 HydrophobicContact CD-CE1 4.32Å; F874-F907 HydrophobicContact CE2-CB 3.96Å; F874-F907 AromaticContact CE2-CD1 3.68Å; F874-F907 HydrophobicContact CE2-CD1 3.68Å; F874-F907 AromaticContact CE2-CD2 3.9Å; F874-F907 HydrophobicContact CE2-CD2 3.9Å; F874-F907 HydrophobicContact CE2-CE1 4.1Å; F874-F907 HydrophobicContact CE2-CE2 4.28Å; F874-F907 AromaticContact CE2-CG 3.57Å; F874-F907 HydrophobicContact CE2-CG 3.57Å; F874-F907 HydrophobicContact CE2-CZ 4.37Å; F874-F907 HydrophobicContact CZ-CB 3.69Å; F874-F907 AromaticContact CZ-CD1 3.84Å; F874-F907 HydrophobicContact CZ-CD1 3.84Å; F874-F907 HydrophobicContact CZ-CD2 4.49Å; F874-F907 AromaticContact CZ-CG 3.76Å; F874-F907 HydrophobicContact CZ-CG 3.76Å; I878-F907 HydrophobicContact CD1-CB 3.71Å; I878-F907 HydrophobicContact CD1-CD2 3.57Å; I878-F907 HydrophobicContact CD1-CG 4.05Å; I878-F907 HydrophobicContact CG1-CB 4.01Å; F903-F907 HydrophobicContact CB-CE2 4.38Å; F903-F907 HydrophobicContact CB-CZ 4.44Å; F903-F907 WeakPolarHBondContact O-CD1 3.08Å; F903-F907 VanDerWaalsContact O-CD2 3.31Å; F903-F907 WeakPolarHBondContact O-CD2 3.41Å; F903-F907 WeakPolarHBondContact O-CG 3.39Å; F903-F907 PolarHBondContact O-N 3.38Å; Y904-F907 CarbonylContact O-C 3.53Å; Y904-F907 WeakPolarHBondContact O-CA 3.3Å; Y904-F907 WeakPolarHBondContact O-CB 3.48Å; Y904-F907 PolarHBondContact O-N 2.78Å; G905-F907 PolarHBondContact O-N 2.99Å; F907-N909 VanDerWaalsContact C-N 3.32Å; F907-N909 PolarHBondContact O-N 3.42Å; F907-L910 WeakPolarHBondContact O-CB 3.37Å; F907-L910 PolarHBondContact O-N 2.82Å |
| 908 | E | 87.2 | Confident | 86.3 | Confident | 71 Ų | 71 | 53.4 Ų | 53.4 | 33% | 0.332 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.8 | -37.6 | 175.3 | -71.6 | -166.8 | 124.1 | 0 | 0 | 112.2 | I878 S882 Y904 G905 L910 M911 | I878-E908 HydrophobicContact CG2-CG 4.2Å; S882-E908 PolarHBondContact OG-OE1 3.37Å; Y904-E908 HydrophobicContact CD1-CG 4.33Å; Y904-E908 HydrophobicContact CE1-CG 3.82Å; Y904-E908 WeakPolarHBondContact CE1-OE1 3.43Å; Y904-E908 WeakPolarHBondContact CE1-OE2 3.5Å; Y904-E908 HydrophobicContact CE2-CG 4.09Å; Y904-E908 VanDerWaalsContact CZ-OE1 3.26Å; Y904-E908 PolarHBondContact O-N 2.85Å; Y904-E908 VanDerWaalsContact OH-CD 3.25Å; Y904-E908 PolarHBondContact OH-OE1 3.46Å; G905-E908 PolarHBondContact O-N 2.84Å; E908-L910 PolarHBondContact O-N 3.46Å; E908-L910 VanDerWaalsContact O-N 3.11Å; E908-M911 HydrophobicContact CB-CE 4.31Å; E908-M911 HydrophobicContact CG-CE 4.02Å; E908-M911 WeakPolarHBondContact O-CA 3.37Å; E908-M911 WeakPolarHBondContact O-CB 3.3Å; E908-M911 PolarHBondContact O-N 2.86Å |
| 909 | N | 85.2 | Confident | 86.3 | Confident | 17 Ų | 17 | 49.8 Ų | 49.8 | 9% | 0.091 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -58.9 | -26.6 | 175.7 | -67.2 | -17.6 | 0 | 0 | 0 | 113.2 | Q327 L331 G905 F907 M911 D912 | Q327-N909 WeakPolarHBondContact CG-ND2 3.18Å; Q327-N909 PolarHBondContact NE2-ND2 2.97Å; L331-N909 HydrophobicContact CD1-CB 4.21Å; L331-N909 WeakPolarHBondContact CD2-OD1 3.47Å; G905-N909 PolarHBondContact O-N 2.91Å; G905-N909 VanDerWaalsContact O-N 3.07Å; G905-N909 PolarHBondContact O-ND2 3.48Å; G905-N909 PolarHBondContact O-OD1 3.49Å; F907-N909 VanDerWaalsContact C-N 3.32Å; F907-N909 PolarHBondContact O-N 3.42Å; N909-M911 PolarHBondContact O-N 2.82Å; N909-D912 WeakPolarHBondContact O-CB 3.41Å; N909-D912 PolarHBondContact O-N 2.89Å |
| 910 | L | 87.5 | Confident | 86.3 | Confident | 13 Ų | 13 | 44.1 Ų | 44.1 | 7% | 0.068 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -74.6 | -17.3 | 176.8 | -163.7 | 62.8 | 0 | 0 | 0 | 112.7 | F874 F875 F907 E908 A919 T923 | F874-L910 HydrophobicContact CE1-CD2 3.81Å; F874-L910 HydrophobicContact CZ-CD2 4.28Å; F875-L910 HydrophobicContact CE1-CB 4.3Å; F875-L910 HydrophobicContact CE1-CD2 4.4Å; F875-L910 HydrophobicContact CE1-CG 4.22Å; F875-L910 HydrophobicContact CZ-CB 4.41Å; F875-L910 HydrophobicContact CZ-CD2 3.9Å; F875-L910 HydrophobicContact CZ-CG 3.83Å; F907-L910 WeakPolarHBondContact O-CB 3.37Å; F907-L910 PolarHBondContact O-N 2.82Å; E908-L910 PolarHBondContact O-N 3.46Å; E908-L910 VanDerWaalsContact O-N 3.11Å; L910-A919 HydrophobicContact CD1-CB 4.4Å; L910-A919 WeakPolarHBondContact CD1-O 3.45Å; L910-T923 HydrophobicContact CD1-CG2 4.24Å; L910-T923 WeakPolarHBondContact CD1-OG1 3.21Å; L910-T923 HydrophobicContact CD2-CG2 4.43Å |
| 911 | M | 83.9 | Confident | 86.2 | Confident | 34 Ų | 34 | 46.9 Ų | 46.9 | 17% | 0.167 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -86.9 | -6.5 | 176.6 | -59.8 | -167 | -56.9 | 0 | 0 | 113.6 | F875 I878 L879 E908 N909 P913 | F875-M911 HydrophobicContact CD1-CG 3.52Å; F875-M911 HydrophobicContact CD1-SD 4.02Å; F875-M911 HydrophobicContact CE1-CB 4.43Å; F875-M911 HydrophobicContact CE1-CG 3.46Å; F875-M911 VanDerWaalsContact CE1-CG 3.46Å; I878-M911 HydrophobicContact CB-CE 4.49Å; I878-M911 HydrophobicContact CB-SD 4.07Å; I878-M911 HydrophobicContact CG2-CE 3.44Å; I878-M911 VanDerWaalsContact CG2-CE 3.44Å; I878-M911 HydrophobicContact CG2-SD 3.59Å; I878-M911 VanDerWaalsContact CG2-SD 3.59Å; L879-M911 HydrophobicContact CD2-CE 4.08Å; L879-M911 HydrophobicContact CD2-SD 3.48Å; L879-M911 WeakPolarHBondContact CD2-SD 3.46Å; L879-M911 HydrophobicContact CG-SD 3.87Å; E908-M911 HydrophobicContact CB-CE 4.31Å; E908-M911 HydrophobicContact CG-CE 4.02Å; E908-M911 WeakPolarHBondContact O-CA 3.37Å; E908-M911 WeakPolarHBondContact O-CB 3.3Å; E908-M911 PolarHBondContact O-N 2.86Å; N909-M911 PolarHBondContact O-N 2.82Å; M911-P913 WeakPolarHBondContact O-CD 3.27Å; M911-P913 VanDerWaalsContact O-N 3.11Å |
| 912 | D | 80.9 | Confident | 86.1 | Confident | 24 Ų | 24 | 44.9 Ų | 44.9 | 13% | 0.128 | 23% | 0.225 | C | C | . | . | trans | -50.8 | 117 | -176.1 | -178.6 | 6.8 | 0 | 0 | 0 | 111 | Q335 N909 S914 H917 | Q335-D912 PolarHBondContact NE2-OD2 3.3Å; N909-D912 WeakPolarHBondContact O-CB 3.41Å; N909-D912 PolarHBondContact O-N 2.89Å; D912-S914 PolarHBondContact O-N 3.01Å; D912-S914 WeakPolarHBondContact OD1-CB 3.29Å; D912-S914 PolarHBondContact OD1-N 3.16Å; D912-S914 PolarHBondContact OD1-OG 3.3Å; D912-S914 PolarHBondContact OD2-OG 3.27Å; D912-H917 WeakPolarHBondContact O-CA 3.5Å | ||
| 913 | P | 81.8 | Confident | 86.2 | Confident | 85 Ų | 85 | 40.7 Ų | 40.7 | 55% | 0.552 | 21% | 0.209 | S | C | * | . | trans | -73.8 | -11.7 | -178.8 | 31 | -36.2 | 0 | 0 | 0 | 113.3 | M911 R915 N916 H917 | M911-P913 WeakPolarHBondContact O-CD 3.27Å; M911-P913 VanDerWaalsContact O-N 3.11Å; P913-R915 PolarHBondContact O-N 3.18Å; P913-N916 PolarHBondContact O-N 2.74Å; P913-H917 PolarHBondContact O-N 3.21Å; P913-H917 VanDerWaalsContact O-N 3.1Å | ||
| 914 | S | 77.4 | Confident | 86.3 | Confident | 44 Ų | 44 | 37.6 Ų | 37.6 | 31% | 0.308 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -52.1 | 138.5 | -177.8 | -59.6 | 0 | 0 | 0 | 0 | 112 | D912 N916 H917 R918 | D912-S914 PolarHBondContact O-N 3.01Å; D912-S914 WeakPolarHBondContact OD1-CB 3.29Å; D912-S914 PolarHBondContact OD1-N 3.16Å; D912-S914 PolarHBondContact OD1-OG 3.3Å; D912-S914 PolarHBondContact OD2-OG 3.27Å; S914-N916 PolarHBondContact O-N 2.97Å; S914-H917 PolarHBondContact O-N 2.79Å; S914-R918 PolarHBondContact O-N 2.79Å |
| 915 | R | 78.8 | Confident | 86.1 | Confident | 50 Ų | 50 | 40.8 Ų | 40.8 | 19% | 0.189 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | 52.3 | 43 | -179.9 | -66.4 | 147.9 | 168.6 | -82 | -3.4 | 112.4 | Q335 P338 E364 P913 R918 | Q335-R915 PolarHBondContact O-NE 2.91Å; Q335-R915 PolarHBondContact O-NH2 2.7Å; P338-R915 VanDerWaalsContact CG-CZ 3.46Å; E364-R915 IonicContact OE1-CZ 3.08Å; E364-R915 IonicContact OE1-NH1 2.86Å; E364-R915 PolarHBondContact OE1-NH1 3.03Å; E364-R915 IonicContact OE1-NH2 2.72Å; E364-R915 IonicContact OE2-CZ 3.31Å; E364-R915 IonicContact OE2-NH1 2.81Å; E364-R915 PolarHBondContact OE2-NH1 3.29Å; E364-R915 IonicContact OE2-NH2 3.2Å; E364-R915 PolarHBondContact OE2-NH2 3.39Å; P913-R915 PolarHBondContact O-N 3.18Å; R915-R918 HydrophobicContact CB-CB 4.02Å |
| 916 | N | 83.3 | Confident | 86.2 | Confident | 77 Ų | 77 | 46.1 Ų | 46.1 | 41% | 0.412 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | 57.6 | 55.5 | -178.3 | -172.7 | 14.5 | 0 | 0 | 0 | 112.9 | P913 S914 R918 R921 | P913-N916 PolarHBondContact O-N 2.74Å; S914-N916 PolarHBondContact O-N 2.97Å; N916-R918 PolarHBondContact O-N 2.86Å; N916-R921 VanDerWaalsContact CG-NH2 3.34Å; N916-R921 PolarHBondContact ND2-NH2 2.93Å; N916-R921 VanDerWaalsContact ND2-NH2 3.16Å; N916-R921 PolarHBondContact O-NE 3.17Å; N916-R921 PolarHBondContact OD1-NH2 2.84Å |
| 917 | H | 86.3 | Confident | 86.4 | Confident | 23 Ų | 23 | 46.1 Ų | 46.1 | 11% | 0.106 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | 57.3 | 43.7 | 179.3 | -60.4 | -90 | 0 | 0 | 0 | 113.8 | D912 P913 S914 A919 Y920 R921 L937 | D912-H917 WeakPolarHBondContact O-CA 3.5Å; P913-H917 PolarHBondContact O-N 3.21Å; P913-H917 VanDerWaalsContact O-N 3.1Å; S914-H917 PolarHBondContact O-N 2.79Å; H917-A919 VanDerWaalsContact C-N 3.29Å; H917-A919 PolarHBondContact O-N 2.83Å; H917-Y920 PolarHBondContact O-N 2.74Å; H917-R921 WeakPolarHBondContact O-CG 3.42Å; H917-R921 PolarHBondContact O-N 3.23Å; H917-L937 HydrophobicContact CB-CD2 3.71Å; H917-L937 VanDerWaalsContact CD2-CD1 3.41Å; H917-L937 WeakPolarHBondContact CD2-CD1 3.36Å |
| 918 | R | 85.9 | Confident | 86.4 | Confident | 64 Ų | 64 | 48 Ų | 48 | 24% | 0.242 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -55.5 | -41.6 | -175.8 | -176.8 | 177.3 | 178.8 | 86.9 | -3.2 | 112.7 | E363 S914 R915 N916 Y920 R921 L922 | E363-R918 IonicContact OE2-CZ 3.75Å; E363-R918 VanDerWaalsContact OE2-CZ 3.28Å; E363-R918 IonicContact OE2-NH1 3.67Å; E363-R918 PolarHBondContact OE2-NH1 3.12Å; E363-R918 IonicContact OE2-NH2 3.97Å; E363-R918 PolarHBondContact OE2-NH2 3.32Å; S914-R918 PolarHBondContact O-N 2.79Å; R915-R918 HydrophobicContact CB-CB 4.02Å; N916-R918 PolarHBondContact O-N 2.86Å; R918-Y920 PolarHBondContact O-N 2.89Å; R918-R921 PolarHBondContact O-N 2.89Å; R918-L922 HydrophobicContact CG-CD1 3.84Å; R918-L922 HydrophobicContact CG-CG 4.08Å; R918-L922 WeakPolarHBondContact O-CB 3.42Å; R918-L922 WeakPolarHBondContact O-CG 3.34Å; R918-L922 PolarHBondContact O-N 3.38Å |
| 919 | A | 86.9 | Confident | 86.8 | Confident | 22 Ų | 22 | 44.9 Ų | 44.9 | 18% | 0.182 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.7 | -47.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L910 H917 T923 | L910-A919 HydrophobicContact CD1-CB 4.4Å; L910-A919 WeakPolarHBondContact CD1-O 3.45Å; H917-A919 VanDerWaalsContact C-N 3.29Å; H917-A919 PolarHBondContact O-N 2.83Å; A919-T923 WeakPolarHBondContact O-CB 3.31Å; A919-T923 PolarHBondContact O-N 3.19Å; A919-T923 VanDerWaalsContact O-N 3.15Å; A919-T923 PolarHBondContact O-OG1 3.43Å |
| 920 | Y | 91.6 | Very high | 87.3 | Confident | 10 Ų | 10 | 45.1 Ų | 45.1 | 4% | 0.039 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.1 | -50.6 | 173.5 | 165.9 | -103.7 | 0 | 0 | 0 | 111.6 | L871 F875 H917 R918 L922 T923 V924 F934 L937 | L871-Y920 HydrophobicContact CD1-CE2 3.92Å; F875-Y920 AromaticContact CE2-CD2 3.48Å; F875-Y920 HydrophobicContact CE2-CD2 3.48Å; F875-Y920 VanDerWaalsContact CE2-CD2 3.48Å; F875-Y920 AromaticContact CE2-CE2 3.71Å; F875-Y920 HydrophobicContact CE2-CE2 3.71Å; F875-Y920 HydrophobicContact CE2-CG 4.49Å; F875-Y920 AromaticContact CZ-CD2 3.7Å; F875-Y920 HydrophobicContact CZ-CD2 3.7Å; F875-Y920 HydrophobicContact CZ-CE2 4.39Å; F875-Y920 HydrophobicContact CZ-CG 4.44Å; H917-Y920 PolarHBondContact O-N 2.74Å; R918-Y920 PolarHBondContact O-N 2.89Å; Y920-L922 PolarHBondContact O-N 3.34Å; Y920-T923 WeakPolarHBondContact O-CB 3.46Å; Y920-T923 PolarHBondContact O-N 3.28Å; Y920-T923 VanDerWaalsContact O-N 3.09Å; Y920-V924 HydrophobicContact CD2-CG2 3.71Å; Y920-V924 HydrophobicContact CE1-CG2 4.19Å; Y920-V924 HydrophobicContact CE2-CG2 3.22Å; Y920-V924 HydrophobicContact CG-CG2 4.39Å; Y920-V924 VanDerWaalsContact CZ-CG2 3.49Å; Y920-V924 WeakPolarHBondContact O-CG2 3.36Å; Y920-V924 PolarHBondContact O-N 3.26Å; Y920-F934 HydrophobicContact CD2-CB 4.45Å; Y920-F934 HydrophobicContact CE1-CB 4.4Å; Y920-F934 HydrophobicContact CE2-CB 3.68Å; Y920-F934 PolarHBondContact OH-N 2.89Å; Y920-L937 HydrophobicContact CD1-CD2 3.4Å; Y920-L937 VanDerWaalsContact CD1-CD2 3.4Å; Y920-L937 HydrophobicContact CE1-CD2 3.63Å; Y920-L937 HydrophobicContact CG-CD2 4.3Å |
| 921 | R | 90.9 | Very high | 87.7 | Confident | 83 Ų | 83 | 44.5 Ų | 44.5 | 31% | 0.313 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.5 | -42.8 | -176.1 | -67 | -173.1 | -168.5 | -83.8 | -0.9 | 112.2 | N916 H917 R918 T923 V924 A925 D941 | N916-R921 VanDerWaalsContact CG-NH2 3.34Å; N916-R921 PolarHBondContact ND2-NH2 2.93Å; N916-R921 VanDerWaalsContact ND2-NH2 3.16Å; N916-R921 PolarHBondContact O-NE 3.17Å; N916-R921 PolarHBondContact OD1-NH2 2.84Å; H917-R921 WeakPolarHBondContact O-CG 3.42Å; H917-R921 PolarHBondContact O-N 3.23Å; R918-R921 PolarHBondContact O-N 2.89Å; R921-T923 VanDerWaalsContact C-N 3.33Å; R921-T923 PolarHBondContact O-N 3.28Å; R921-V924 PolarHBondContact O-N 2.93Å; R921-A925 VanDerWaalsContact O-CB 3.31Å; R921-A925 WeakPolarHBondContact O-CB 2.93Å; R921-A925 PolarHBondContact O-N 3.5Å; R921-D941 IonicContact CZ-OD1 3.88Å; R921-D941 IonicContact CZ-OD2 3.75Å; R921-D941 IonicContact NH1-OD2 3.8Å; R921-D941 PolarHBondContact NH1-OD2 3.46Å; R921-D941 IonicContact NH2-OD1 2.85Å; R921-D941 PolarHBondContact NH2-OD1 2.84Å; R921-D941 IonicContact NH2-OD2 3.91Å; R921-D941 PolarHBondContact NH2-OD2 2.9Å |
| 922 | L | 87.2 | Confident | 88.4 | Confident | 45 Ų | 45 | 42.9 Ų | 42.9 | 24% | 0.236 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.8 | -36.9 | 175.7 | -69.9 | 177.4 | 0 | 0 | 0 | 112.4 | H267 R918 Y920 | H267-L922 HydrophobicContact CB-CD1 4.36Å; R918-L922 HydrophobicContact CG-CD1 3.84Å; R918-L922 HydrophobicContact CG-CG 4.08Å; R918-L922 WeakPolarHBondContact O-CB 3.42Å; R918-L922 WeakPolarHBondContact O-CG 3.34Å; R918-L922 PolarHBondContact O-N 3.38Å; Y920-L922 PolarHBondContact O-N 3.34Å |
| 923 | T | 88.4 | Confident | 89.2 | Confident | 28 Ų | 28 | 41.8 Ų | 41.8 | 17% | 0.172 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66 | -48.1 | 176.3 | -64.7 | 0 | 0 | 0 | 0 | 111 | L910 A919 Y920 R921 K926 | L910-T923 HydrophobicContact CD1-CG2 4.24Å; L910-T923 WeakPolarHBondContact CD1-OG1 3.21Å; L910-T923 HydrophobicContact CD2-CG2 4.43Å; A919-T923 WeakPolarHBondContact O-CB 3.31Å; A919-T923 PolarHBondContact O-N 3.19Å; A919-T923 VanDerWaalsContact O-N 3.15Å; A919-T923 PolarHBondContact O-OG1 3.43Å; Y920-T923 WeakPolarHBondContact O-CB 3.46Å; Y920-T923 PolarHBondContact O-N 3.28Å; Y920-T923 VanDerWaalsContact O-N 3.09Å; R921-T923 VanDerWaalsContact C-N 3.33Å; R921-T923 PolarHBondContact O-N 3.28Å; T923-K926 PolarHBondContact O-N 3.06Å |
| 924 | V | 91.4 | Very high | 89.9 | Confident | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.03 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70.1 | -34.7 | -177.9 | -178.2 | 0 | 0 | 0 | 0 | 112.6 | L871 Y920 R921 K926 L927 Y975 | L871-V924 HydrophobicContact CD1-CG2 3.31Å; Y920-V924 HydrophobicContact CD2-CG2 3.71Å; Y920-V924 HydrophobicContact CE1-CG2 4.19Å; Y920-V924 HydrophobicContact CE2-CG2 3.22Å; Y920-V924 HydrophobicContact CG-CG2 4.39Å; Y920-V924 VanDerWaalsContact CZ-CG2 3.49Å; Y920-V924 WeakPolarHBondContact O-CG2 3.36Å; Y920-V924 PolarHBondContact O-N 3.26Å; R921-V924 PolarHBondContact O-N 2.93Å; V924-K926 PolarHBondContact O-N 3.45Å; V924-K926 VanDerWaalsContact O-N 3.12Å; V924-L927 WeakPolarHBondContact O-CB 3.47Å; V924-L927 PolarHBondContact O-N 2.97Å; V924-Y975 HydrophobicContact CG1-CE1 3.73Å; V924-Y975 WeakPolarHBondContact CG1-OH 3.3Å |
| 925 | A | 89 | Confident | 90.7 | Very high | 86 Ų | 86 | 36.9 Ų | 36.9 | 71% | 0.711 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -59 | -24.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R921 | R921-A925 VanDerWaalsContact O-CB 3.31Å; R921-A925 WeakPolarHBondContact O-CB 2.93Å; R921-A925 PolarHBondContact O-N 3.5Å |
| 926 | K | 88.3 | Confident | 91.4 | Very high | 133 Ų | 133 | 35.3 Ų | 35.3 | 58% | 0.578 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -9.5 | 176.3 | -65.3 | 179.7 | 178.8 | -168.6 | 0 | 113.7 | H267 T923 V924 | H267-K926 PolarHBondContact O-NZ 3.48Å; T923-K926 PolarHBondContact O-N 3.06Å; V924-K926 PolarHBondContact O-N 3.45Å; V924-K926 VanDerWaalsContact O-N 3.12Å |
| 927 | L | 91.3 | Very high | 91.8 | Very high | 44 Ų | 44 | 31.8 Ų | 31.8 | 23% | 0.23 | 18% | 0.175 | C | C | . | . | P | Polyproline II helix | trans | -91.3 | 129.8 | -178.2 | -59.6 | 179 | 0 | 0 | 0 | 110.7 | L871 V924 V931 | L871-L927 HydrophobicContact CD1-CD1 3.97Å; V924-L927 WeakPolarHBondContact O-CB 3.47Å; V924-L927 PolarHBondContact O-N 2.97Å; L927-V931 HydrophobicContact CB-CG2 3.92Å; L927-V931 HydrophobicContact CD1-CG2 4.49Å |
| 928 | A | 92.1 | Very high | 92.1 | Very high | 51 Ų | 51 | 31.3 Ų | 31.3 | 42% | 0.421 | 17% | 0.173 | S | C | . | . | P | Polyproline II helix | trans | -83.9 | 148.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | K869 | K869-A928 PolarHBondContact NZ-O 3.31Š|
| 929 | P | 94.5 | Very high | 92.5 | Very high | 4 Ų | 4 | 29 Ų | 29 | 3% | 0.026 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -48.3 | 152.9 | 168.2 | -27.1 | 35.5 | 0 | 0 | 0 | 111.8 | Y974 Q978 | P929-Y974 VanDerWaalsContact CD-CZ 3.42Å; P929-Y974 VanDerWaalsContact CD-OH 3.32Å; P929-Y974 WeakPolarHBondContact CD-OH 3.42Å; P929-Y974 HydrophobicContact CG-CD1 4Å; P929-Y974 HydrophobicContact CG-CD2 4.14Å; P929-Y974 HydrophobicContact CG-CE1 3.66Å; P929-Y974 HydrophobicContact CG-CE2 3.82Å; P929-Y974 HydrophobicContact CG-CG 4.23Å; P929-Y974 WeakPolarHBondContact CG-O 3.29Å; P929-Q978 HydrophobicContact CB-CB 4.14Å; P929-Q978 HydrophobicContact CB-CG 4.05Å; P929-Q978 PolarHBondContact O-OE1 3.44Å; P929-Q978 VanDerWaalsContact O-OE1 3.08Å |
| 930 | P | 95.8 | Very high | 92.6 | Very high | 23 Ų | 23 | 32 Ų | 32 | 15% | 0.149 | 17% | 0.174 | C | C | . | . | S | Bend | cis | -74.9 | 136.8 | -2.1 | 31.2 | -36 | 0 | 0 | 0 | 112.7 | W796 K869 Q978 | W796-P930 HydrophobicContact CH2-CB 3.8Å; W796-P930 HydrophobicContact CZ2-CB 3.48Å; W796-P930 VanDerWaalsContact CZ2-CB 3.48Å; K869-P930 VanDerWaalsContact CD-O 3.25Å; K869-P930 WeakPolarHBondContact CD-O 3.43Å; P930-Q978 HydrophobicContact CB-CB 4.42Å; P930-Q978 WeakPolarHBondContact CB-O 3.39Å |
| 931 | V | 96.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -136.5 | 139.4 | 177.6 | 178.4 | 0 | 0 | 0 | 0 | 109.9 | W796 K869 L927 Y975 | W796-V931 WeakPolarHBondContact CH2-O 3.42Å; K869-V931 HydrophobicContact CB-CG2 4.22Å; K869-V931 HydrophobicContact CD-CG2 4.15Å; L927-V931 HydrophobicContact CB-CG2 3.92Å; L927-V931 HydrophobicContact CD1-CG2 4.49Å; V931-Y975 HydrophobicContact CB-CD1 3.92Å; V931-Y975 HydrophobicContact CB-CG 4.22Å; V931-Y975 HydrophobicContact CG1-CD1 4.27Å; V931-Y975 HydrophobicContact CG2-CD1 4.4Å; V931-Y975 PolarHBondContact N-O 3.01Å; V931-Y975 WeakPolarHBondContact O-CB 3.48Å | ||
| 932 | I | 97.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.165 | C | C | . | . | B | Isolated β-bridge | trans | -102.7 | 111.5 | 162.6 | -51.5 | -175.5 | 0 | 0 | 0 | 107.6 | D795 W796 F799 F827 K869 N870 L871 N872 | D795-I932 HydrophobicContact CB-CD1 3.72Å; W796-I932 HydrophobicContact CB-CD1 4.45Å; W796-I932 HydrophobicContact CD2-CD1 3.94Å; W796-I932 HydrophobicContact CD2-CG1 3.87Å; W796-I932 VanDerWaalsContact CE2-CG1 3.5Å; W796-I932 HydrophobicContact CE3-CG1 4.38Å; W796-I932 HydrophobicContact CG-CD1 3.8Å; W796-I932 HydrophobicContact CG-CG1 4.26Å; W796-I932 HydrophobicContact CH2-CG1 4.36Å; W796-I932 HydrophobicContact CZ2-CG1 3.74Å; F799-I932 HydrophobicContact CD1-CG1 4.3Å; F799-I932 HydrophobicContact CD1-CG2 4.38Å; F827-I932 HydrophobicContact CE1-CG2 4.43Å; F827-I932 HydrophobicContact CZ-CG2 3.64Å; K869-I932 PolarHBondContact O-N 2.99Å; N870-I932 HydrophobicContact CB-CD1 4.4Å; L871-I932 WeakPolarHBondContact CB-O 3.4Å; L871-I932 PolarHBondContact N-O 3.46Å; N872-I932 HydrophobicContact CB-CG2 3.7Å |
| 933 | P | 96.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -75 | 171.8 | -175 | 33.9 | -38.2 | 0 | 0 | 0 | 112.1 | F799 N872 M935 M938 Y975 | F799-P933 HydrophobicContact CZ-CG 4.2Å; N872-P933 WeakPolarHBondContact CB-O 3.42Å; P933-M935 VanDerWaalsContact C-N 3.34Å; P933-M935 HydrophobicContact CG-SD 3.73Å; P933-M935 PolarHBondContact O-N 3.36Å; P933-M938 HydrophobicContact CB-CG 4.38Å; P933-M938 HydrophobicContact CB-SD 3.52Å; P933-M938 VanDerWaalsContact CB-SD 3.52Å; P933-M938 HydrophobicContact CG-SD 3.29Å; P933-M938 WeakPolarHBondContact CG-SD 3.2Å; P933-Y975 HydrophobicContact CB-CD2 3.73Å; P933-Y975 HydrophobicContact CB-CE2 3.66Å; P933-Y975 HydrophobicContact CG-CD2 3.7Å; P933-Y975 HydrophobicContact CG-CE2 4.1Å | ||
| 934 | F | 96.8 | Very high | 92.4 | Very high | 26 Ų | 26 | 33.5 Ų | 33.5 | 11% | 0.114 | 18% | 0.184 | C | C | . | . | trans | -75.4 | 88.5 | 171.5 | -179.1 | -150.6 | 0 | 0 | 0 | 108.9 | F831 F875 Y920 P936 L937 M938 | F831-F934 AromaticContact CE2-CD2 3.91Å; F831-F934 HydrophobicContact CE2-CD2 3.91Å; F831-F934 AromaticContact CE2-CE2 3.58Å; F831-F934 HydrophobicContact CE2-CE2 3.58Å; F831-F934 HydrophobicContact CZ-CD2 4.36Å; F831-F934 AromaticContact CZ-CE2 3.57Å; F831-F934 HydrophobicContact CZ-CE2 3.57Å; F831-F934 HydrophobicContact CZ-CZ 4.45Å; F875-F934 HydrophobicContact CB-CD2 3.93Å; F875-F934 HydrophobicContact CB-CE2 4.02Å; F875-F934 HydrophobicContact CB-CG 4.46Å; F875-F934 HydrophobicContact CD2-CB 3.67Å; F875-F934 HydrophobicContact CD2-CD1 4.04Å; F875-F934 AromaticContact CD2-CD2 3.88Å; F875-F934 HydrophobicContact CD2-CD2 3.88Å; F875-F934 AromaticContact CD2-CG 3.59Å; F875-F934 HydrophobicContact CD2-CG 3.59Å; F875-F934 HydrophobicContact CE2-CB 3.9Å; F875-F934 HydrophobicContact CE2-CD1 4.23Å; F875-F934 HydrophobicContact CE2-CG 4.07Å; F875-F934 HydrophobicContact CG-CD1 4.45Å; F875-F934 HydrophobicContact CG-CD2 4.16Å; F875-F934 HydrophobicContact CG-CE2 4.46Å; F875-F934 HydrophobicContact CG-CG 4.19Å; Y920-F934 HydrophobicContact CD2-CB 4.45Å; Y920-F934 HydrophobicContact CE1-CB 4.4Å; Y920-F934 HydrophobicContact CE2-CB 3.68Å; Y920-F934 PolarHBondContact OH-N 2.89Å; F934-P936 HydrophobicContact CD2-CB 4.42Å; F934-P936 HydrophobicContact CD2-CG 4.15Å; F934-P936 HydrophobicContact CE2-CB 3.8Å; F934-P936 HydrophobicContact CE2-CG 3.67Å; F934-P936 HydrophobicContact CZ-CB 4.12Å; F934-P936 HydrophobicContact CZ-CG 4.45Å; F934-L937 HydrophobicContact CD1-CB 3.45Å; F934-L937 VanDerWaalsContact CD1-CB 3.45Å; F934-L937 HydrophobicContact CD1-CD2 4.05Å; F934-L937 HydrophobicContact CD1-CG 4.41Å; F934-L937 HydrophobicContact CE1-CB 3.78Å; F934-L937 HydrophobicContact CG-CB 4.09Å; F934-L937 PolarHBondContact O-N 3.22Å; F934-L937 VanDerWaalsContact O-N 3.13Å; F934-M938 PolarHBondContact O-N 3.21Å | ||
| 935 | M | 95.7 | Very high | 92.1 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.7 | -41.8 | -169.6 | -74.5 | -59.7 | -61.9 | 0 | 0 | 114.7 | F799 L807 L824 F827 L828 N872 P933 L937 M938 I939 | F799-M935 HydrophobicContact CE2-SD 3.86Å; L807-M935 HydrophobicContact CD2-CE 4.14Å; L824-M935 HydrophobicContact CD1-CE 4.06Å; F827-M935 HydrophobicContact CD1-CE 4.48Å; F827-M935 HydrophobicContact CD1-CG 3.9Å; F827-M935 HydrophobicContact CE1-CB 4.45Å; F827-M935 HydrophobicContact CE1-CE 4.5Å; F827-M935 HydrophobicContact CE1-CG 3.3Å; F827-M935 HydrophobicContact CE1-SD 4.04Å; F827-M935 HydrophobicContact CZ-CG 4.1Å; L828-M935 HydrophobicContact CD2-CB 4.01Å; N872-M935 PolarHBondContact OD1-N 2.94Å; P933-M935 VanDerWaalsContact C-N 3.34Å; P933-M935 HydrophobicContact CG-SD 3.73Å; P933-M935 PolarHBondContact O-N 3.36Å; M935-L937 PolarHBondContact O-N 3.05Å; M935-M938 WeakPolarHBondContact O-CB 3.26Å; M935-M938 PolarHBondContact O-N 2.95Å; M935-M938 HydrophobicContact SD-SD 4.12Å; M935-I939 PolarHBondContact O-N 3.01Å |
| 936 | P | 93.3 | Very high | 92.1 | Very high | 16 Ų | 16 | 32.6 Ų | 32.6 | 10% | 0.104 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -53.5 | -39.5 | 174.9 | -30.7 | 36.8 | 0 | 0 | 0 | 113.9 | A3 F831 F934 I939 K940 | A3-P936 HydrophobicContact CB-CB 4.23Å; F831-P936 HydrophobicContact CD1-CG 4.02Å; F831-P936 HydrophobicContact CD2-CG 4.04Å; F831-P936 HydrophobicContact CE1-CG 4.18Å; F831-P936 HydrophobicContact CE2-CG 4.18Å; F831-P936 HydrophobicContact CG-CG 3.96Å; F831-P936 HydrophobicContact CZ-CG 4.26Å; F934-P936 HydrophobicContact CD2-CB 4.42Å; F934-P936 HydrophobicContact CD2-CG 4.15Å; F934-P936 HydrophobicContact CE2-CB 3.8Å; F934-P936 HydrophobicContact CE2-CG 3.67Å; F934-P936 HydrophobicContact CZ-CB 4.12Å; F934-P936 HydrophobicContact CZ-CG 4.45Å; P936-I939 PolarHBondContact O-N 3.16Å; P936-K940 WeakPolarHBondContact O-CB 2.78Å; P936-K940 PolarHBondContact O-N 2.95Å |
| 937 | L | 91.1 | Very high | 91.8 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -70.1 | -34.9 | 176.2 | -179.6 | 58.9 | 0 | 0 | 0 | 112.2 | H917 Y920 F934 M935 K940 D941 | H917-L937 HydrophobicContact CB-CD2 3.71Å; H917-L937 VanDerWaalsContact CD2-CD1 3.41Å; H917-L937 WeakPolarHBondContact CD2-CD1 3.36Å; Y920-L937 HydrophobicContact CD1-CD2 3.4Å; Y920-L937 VanDerWaalsContact CD1-CD2 3.4Å; Y920-L937 HydrophobicContact CE1-CD2 3.63Å; Y920-L937 HydrophobicContact CG-CD2 4.3Å; F934-L937 HydrophobicContact CD1-CB 3.45Å; F934-L937 VanDerWaalsContact CD1-CB 3.45Å; F934-L937 HydrophobicContact CD1-CD2 4.05Å; F934-L937 HydrophobicContact CD1-CG 4.41Å; F934-L937 HydrophobicContact CE1-CB 3.78Å; F934-L937 HydrophobicContact CG-CB 4.09Å; F934-L937 PolarHBondContact O-N 3.22Å; F934-L937 VanDerWaalsContact O-N 3.13Å; M935-L937 PolarHBondContact O-N 3.05Å; L937-K940 HydrophobicContact CD1-CD 4.17Å; L937-K940 WeakPolarHBondContact O-CB 3.23Å; L937-K940 PolarHBondContact O-N 3.41Å; L937-D941 PolarHBondContact O-N 3.33Å |
| 938 | M | 93.1 | Very high | 91.1 | Very high | 12 Ų | 12 | 32.7 Ų | 32.7 | 6% | 0.059 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.4 | -41.9 | 174.2 | -62.2 | -164.1 | 72.9 | 0 | 0 | 112.2 | P933 F934 M935 K940 D941 M942 T968 T971 V972 Y975 | P933-M938 HydrophobicContact CB-CG 4.38Å; P933-M938 HydrophobicContact CB-SD 3.52Å; P933-M938 VanDerWaalsContact CB-SD 3.52Å; P933-M938 HydrophobicContact CG-SD 3.29Å; P933-M938 WeakPolarHBondContact CG-SD 3.2Å; F934-M938 PolarHBondContact O-N 3.21Å; M935-M938 WeakPolarHBondContact O-CB 3.26Å; M935-M938 PolarHBondContact O-N 2.95Å; M935-M938 HydrophobicContact SD-SD 4.12Å; M938-K940 VanDerWaalsContact C-N 3.34Å; M938-D941 PolarHBondContact O-N 2.85Å; M938-M942 WeakPolarHBondContact O-CG 3.47Å; M938-M942 PolarHBondContact O-N 3.43Å; M938-M942 VanDerWaalsContact O-N 3.09Å; M938-T968 HydrophobicContact CB-CG2 4.48Å; M938-T968 HydrophobicContact CE-CG2 3.74Å; M938-T971 HydrophobicContact CE-CG2 4.31Å; M938-V972 HydrophobicContact CE-CG2 3.33Å; M938-V972 HydrophobicContact SD-CG2 3.88Å; M938-Y975 HydrophobicContact CE-CE2 4.39Å; M938-Y975 HydrophobicContact SD-CE2 4.31Å |
| 939 | I | 94.3 | Very high | 90.6 | Very high | 15 Ų | 15 | 32.8 Ų | 32.8 | 8% | 0.077 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.6 | -40.1 | 175.3 | -62.4 | -57.1 | 0 | 0 | 0 | 110.8 | L807 L824 L828 M935 P936 M942 T943 | L807-I939 HydrophobicContact CD2-CD1 3.75Å; L824-I939 HydrophobicContact CD1-CD1 4.26Å; L824-I939 HydrophobicContact CD2-CD1 4.21Å; L828-I939 HydrophobicContact CD1-CG1 4.16Å; L828-I939 HydrophobicContact CD2-CG1 3.96Å; M935-I939 PolarHBondContact O-N 3.01Å; P936-I939 PolarHBondContact O-N 3.16Å; I939-M942 PolarHBondContact O-N 3.29Å; I939-T943 WeakPolarHBondContact O-CB 3.26Å; I939-T943 PolarHBondContact O-N 3.18Å; I939-T943 PolarHBondContact O-OG1 3.29Å |
| 940 | K | 89 | Confident | 90.2 | Very high | 86 Ų | 86 | 40.4 Ų | 40.4 | 37% | 0.374 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -57.2 | -49.8 | 171.6 | -175.5 | -177.5 | 173.4 | -175.2 | 0 | 111 | P936 L937 M938 M942 T943 F944 | P936-K940 WeakPolarHBondContact O-CB 2.78Å; P936-K940 PolarHBondContact O-N 2.95Å; L937-K940 HydrophobicContact CD1-CD 4.17Å; L937-K940 WeakPolarHBondContact O-CB 3.23Å; L937-K940 PolarHBondContact O-N 3.41Å; M938-K940 VanDerWaalsContact C-N 3.34Å; K940-M942 VanDerWaalsContact C-N 3.3Å; K940-M942 PolarHBondContact O-N 2.93Å; K940-T943 PolarHBondContact O-N 3.11Å; K940-F944 HydrophobicContact CD-CD2 4.42Å; K940-F944 HydrophobicContact CD-CE2 4.12Å; K940-F944 HydrophobicContact CG-CD2 3.47Å; K940-F944 VanDerWaalsContact CG-CD2 3.47Å; K940-F944 HydrophobicContact CG-CE2 3.52Å; K940-F944 VanDerWaalsContact O-CD2 3.32Å; K940-F944 WeakPolarHBondContact O-CD2 3.41Å; K940-F944 PolarHBondContact O-N 2.78Å |
| 941 | D | 88.6 | Confident | 89.9 | Confident | 29 Ų | 29 | 40.6 Ų | 40.6 | 16% | 0.155 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56 | -43.7 | 178.4 | -75.1 | -11.4 | 0 | 0 | 0 | 112 | R921 L937 M938 T945 | R921-D941 IonicContact CZ-OD1 3.88Å; R921-D941 IonicContact CZ-OD2 3.75Å; R921-D941 IonicContact NH1-OD2 3.8Å; R921-D941 PolarHBondContact NH1-OD2 3.46Å; R921-D941 IonicContact NH2-OD1 2.85Å; R921-D941 PolarHBondContact NH2-OD1 2.84Å; R921-D941 IonicContact NH2-OD2 3.91Å; R921-D941 PolarHBondContact NH2-OD2 2.9Å; L937-D941 PolarHBondContact O-N 3.33Å; M938-D941 PolarHBondContact O-N 2.85Å; D941-T945 VanDerWaalsContact O-CB 3.28Å; D941-T945 WeakPolarHBondContact O-CB 3.37Å; D941-T945 PolarHBondContact O-N 2.85Å; D941-T945 PolarHBondContact O-OG1 3.33Å |
| 942 | M | 92.5 | Very high | 89.7 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.8 | -42.4 | 177.7 | -65.2 | -177.6 | 75.4 | 0 | 0 | 112.4 | L807 I808 T811 M938 I939 K940 T945 H946 I965 T968 V969 | L807-M942 HydrophobicContact CB-CE 3.84Å; L807-M942 HydrophobicContact CB-SD 3.96Å; L807-M942 HydrophobicContact CD2-SD 4.43Å; I808-M942 HydrophobicContact CD1-CE 4.24Å; T811-M942 HydrophobicContact CG2-CB 4Å; T811-M942 WeakPolarHBondContact CG2-O 3.34Å; T811-M942 WeakPolarHBondContact OG1-CB 3.43Å; T811-M942 WeakPolarHBondContact OG1-CE 3.31Å; M938-M942 WeakPolarHBondContact O-CG 3.47Å; M938-M942 PolarHBondContact O-N 3.43Å; M938-M942 VanDerWaalsContact O-N 3.09Å; I939-M942 PolarHBondContact O-N 3.29Å; K940-M942 VanDerWaalsContact C-N 3.3Å; K940-M942 PolarHBondContact O-N 2.93Å; M942-T945 PolarHBondContact O-N 3.34Å; M942-H946 WeakPolarHBondContact O-CB 3.34Å; M942-H946 PolarHBondContact O-N 3.4Å; M942-I965 HydrophobicContact CB-CD1 4.41Å; M942-I965 HydrophobicContact CE-CG2 3.78Å; M942-T968 HydrophobicContact CG-CG2 3.61Å; M942-T968 HydrophobicContact SD-CG2 3.97Å; M942-V969 HydrophobicContact CE-CG2 3.79Å |
| 943 | T | 87.6 | Confident | 89 | Confident | 38 Ų | 38 | 48.9 Ų | 48.9 | 23% | 0.233 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.3 | -50.5 | 179 | -53.9 | 0 | 0 | 0 | 0 | 110.8 | I939 K940 T945 H946 E947 | I939-T943 WeakPolarHBondContact O-CB 3.26Å; I939-T943 PolarHBondContact O-N 3.18Å; I939-T943 PolarHBondContact O-OG1 3.29Å; K940-T943 PolarHBondContact O-N 3.11Å; T943-T945 VanDerWaalsContact C-N 3.31Å; T943-T945 PolarHBondContact O-N 2.71Å; T943-H946 WeakPolarHBondContact O-CA 3.49Å; T943-H946 WeakPolarHBondContact O-CB 3.27Å; T943-H946 PolarHBondContact O-N 3.41Å; T943-E947 HydrophobicContact CG2-CG 4.45Å; T943-E947 WeakPolarHBondContact O-CG 3.42Å; T943-E947 PolarHBondContact O-N 3.26Å |
| 944 | F | 83.8 | Confident | 88.4 | Confident | 129 Ų | 129 | 56 Ų | 56 | 57% | 0.566 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -63 | -37 | 177 | -86.7 | -89.3 | 0 | 0 | 0 | 112.3 | K940 H946 G948 | K940-F944 HydrophobicContact CD-CD2 4.42Å; K940-F944 HydrophobicContact CD-CE2 4.12Å; K940-F944 HydrophobicContact CG-CD2 3.47Å; K940-F944 VanDerWaalsContact CG-CD2 3.47Å; K940-F944 HydrophobicContact CG-CE2 3.52Å; K940-F944 VanDerWaalsContact O-CD2 3.32Å; K940-F944 WeakPolarHBondContact O-CD2 3.41Å; K940-F944 PolarHBondContact O-N 2.78Å; F944-H946 VanDerWaalsContact C-N 3.31Å; F944-G948 WeakPolarHBondContact O-CA 3.38Å; F944-G948 PolarHBondContact O-N 2.95Å |
| 945 | T | 85.8 | Confident | 88 | Confident | 21 Ų | 21 | 62.1 Ų | 62.1 | 13% | 0.129 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.2 | -39.1 | 172.9 | -60.5 | 0 | 0 | 0 | 0 | 111.1 | D941 M942 T943 N949 M964 I965 | D941-T945 VanDerWaalsContact O-CB 3.28Å; D941-T945 WeakPolarHBondContact O-CB 3.37Å; D941-T945 PolarHBondContact O-N 2.85Å; D941-T945 PolarHBondContact O-OG1 3.33Å; M942-T945 PolarHBondContact O-N 3.34Å; T943-T945 VanDerWaalsContact C-N 3.31Å; T943-T945 PolarHBondContact O-N 2.71Å; T945-N949 WeakPolarHBondContact O-CB 3.39Å; T945-N949 PolarHBondContact O-N 2.88Å; T945-N949 PolarHBondContact O-ND2 2.96Å; T945-M964 HydrophobicContact CG2-CB 3.72Å; T945-M964 HydrophobicContact CG2-CE 3.96Å; T945-M964 HydrophobicContact CG2-SD 4.37Å; T945-I965 HydrophobicContact CG2-CD1 3.58Å; T945-I965 HydrophobicContact CG2-CG1 4.01Å |
| 946 | H | 89.7 | Confident | 87.7 | Confident | 51 Ų | 51 | 62.7 Ų | 62.7 | 24% | 0.236 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.8 | -47.2 | 179.5 | 177.8 | 76.6 | 0 | 0 | 0 | 112.7 | T811 F812 M942 T943 F944 K961 | T811-H946 HydrophobicContact CG2-CB 3.63Å; F812-H946 AromaticContact CD1-CE1 3.28Å; F812-H946 WeakPolarHBondContact CD1-CE1 3.25Å; F812-H946 AromaticContact CD1-ND1 3.35Å; F812-H946 WeakPolarHBondContact CD1-ND1 3.44Å; F812-H946 AromaticContact CE1-CE1 3.47Å; F812-H946 VanDerWaalsContact CE1-CE1 3.47Å; F812-H946 WeakPolarHBondContact CE1-CE1 3.38Å; F812-H946 AromaticContact CE1-ND1 3.17Å; F812-H946 WeakPolarHBondContact CE1-ND1 3.41Å; F812-H946 AromaticContact CG-CE1 3.98Å; F812-H946 AromaticContact CG-ND1 3.89Å; F812-H946 AromaticContact CZ-ND1 3.58Å; M942-H946 WeakPolarHBondContact O-CB 3.34Å; M942-H946 PolarHBondContact O-N 3.4Å; T943-H946 WeakPolarHBondContact O-CA 3.49Å; T943-H946 WeakPolarHBondContact O-CB 3.27Å; T943-H946 PolarHBondContact O-N 3.41Å; F944-H946 VanDerWaalsContact C-N 3.31Å; H946-K961 PolarHBondContact ND1-NZ 3.41Å; H946-K961 PolarHBondContact O-NZ 3.47Å |
| 947 | E | 81.6 | Confident | 87.8 | Confident | 117 Ų | 117 | 62 Ų | 62 | 55% | 0.547 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -73.6 | -39.3 | -178.3 | -68 | 175.1 | 174.9 | 0 | 0 | 112 | T943 N949 | T943-E947 HydrophobicContact CG2-CG 4.45Å; T943-E947 WeakPolarHBondContact O-CG 3.42Å; T943-E947 PolarHBondContact O-N 3.26Å; E947-N949 VanDerWaalsContact C-N 3.31Å; E947-N949 PolarHBondContact O-N 3.24Å |
| 948 | G | 76.3 | Confident | 87.9 | Confident | 63 Ų | 63 | 62.2 Ų | 62.2 | 65% | 0.649 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -75.1 | -14.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | F944 | F944-G948 WeakPolarHBondContact O-CA 3.38Å; F944-G948 PolarHBondContact O-N 2.95Å |
| 949 | N | 81.4 | Confident | 87.9 | Confident | 53 Ų | 53 | 61.6 Ų | 61.6 | 28% | 0.283 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -128.3 | 129.5 | -177.1 | -59.4 | -82.2 | 0 | 0 | 0 | 110.8 | T945 E947 K961 | T945-N949 WeakPolarHBondContact O-CB 3.39Å; T945-N949 PolarHBondContact O-N 2.88Å; T945-N949 PolarHBondContact O-ND2 2.96Å; E947-N949 VanDerWaalsContact C-N 3.31Å; E947-N949 PolarHBondContact O-N 3.24Å; N949-K961 HydrophobicContact CB-CB 4.16Å; N949-K961 HydrophobicContact CB-CD 3.9Å; N949-K961 HydrophobicContact CB-CG 3.94Å; N949-K961 VanDerWaalsContact O-CD 3.31Å; N949-K961 WeakPolarHBondContact O-CD 3.2Å; N949-K961 VanDerWaalsContact O-CE 3.23Å; N949-K961 WeakPolarHBondContact O-CE 3.35Å; N949-K961 PolarHBondContact O-NZ 3.49Å |
| 950 | K | 85.4 | Confident | 87.7 | Confident | 163 Ų | 163 | 63.6 Ų | 63.6 | 71% | 0.709 | 33% | 0.328 | S | S | * | . | trans | -67.3 | 138.2 | 175.2 | -66.5 | -171.2 | 175.6 | -173 | 0 | 111.1 | F952 N958 | K950-F952 VanDerWaalsContact C-N 3.3Å; K950-F952 WeakPolarHBondContact CB-O 3.35Å; K950-N958 VanDerWaalsContact O-CB 3.27Å; K950-N958 WeakPolarHBondContact O-CB 3.29Å; K950-N958 PolarHBondContact O-ND2 3.32Å | ||
| 951 | T | 91.1 | Very high | 87.9 | Confident | 27 Ų | 27 | 59.6 Ų | 59.6 | 17% | 0.166 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -67.9 | -32.6 | 173.9 | -54.9 | 0 | 0 | 0 | 0 | 111.8 | V552 F812 N958 K961 M962 | V552-T951 HydrophobicContact CG1-CG2 3.79Å; F812-T951 HydrophobicContact CE1-CG2 4.5Å; T951-N958 WeakPolarHBondContact O-CB 3.34Å; T951-N958 PolarHBondContact O-N 3.2Å; T951-K961 PolarHBondContact OG1-NZ 3.13Å; T951-M962 HydrophobicContact CG2-CE 3.91Å |
| 952 | F | 91.4 | Very high | 88.2 | Confident | 100 Ų | 100 | 58.2 Ų | 58.2 | 44% | 0.439 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 136.6 | 176.9 | -60.3 | -87.8 | 0 | 0 | 0 | 110.9 | F553 K950 L956 V957 | F553-F952 HydrophobicContact CB-CZ 4.39Å; K950-F952 VanDerWaalsContact C-N 3.3Å; K950-F952 WeakPolarHBondContact CB-O 3.35Å; F952-L956 CarbonylContact C-O 3.37Å; F952-L956 WeakPolarHBondContact CA-O 3.22Å; F952-V957 HydrophobicContact CD1-CG2 4.26Å; F952-V957 HydrophobicContact CE1-CG2 3.8Å |
| 953 | I | 83.7 | Confident | 88.3 | Confident | 75 Ų | 75 | 60.9 Ų | 60.9 | 39% | 0.385 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 120.3 | 174.3 | -60.1 | 171.1 | 0 | 0 | 0 | 106.4 | N955 L956 N958 | I953-N955 PolarHBondContact O-N 3.33Å; I953-L956 PolarHBondContact N-O 3.45Å; I953-L956 WeakPolarHBondContact O-CA 3.35Å; I953-L956 WeakPolarHBondContact O-CB 3.23Å; I953-L956 PolarHBondContact O-N 3.07Å; I953-N958 HydrophobicContact CD1-CB 4.02Å; I953-N958 HydrophobicContact CG1-CB 4.22Å |
| 954 | D | 84.1 | Confident | 88.4 | Confident | 149 Ų | 149 | 62.7 Ų | 62.7 | 80% | 0.797 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 41.4 | -177.1 | -55.7 | -30.4 | 0 | 0 | 0 | 113.4 | L956 | D954-L956 PolarHBondContact O-N 2.97Š|
| 955 | N | 87.8 | Confident | 89 | Confident | 155 Ų | 155 | 56.5 Ų | 56.5 | 83% | 0.829 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 3.7 | -174.3 | -54.3 | -46.1 | 0 | 0 | 0 | 116 | I953 | I953-N955 PolarHBondContact O-N 3.33Š|
| 956 | L | 89.5 | Confident | 89.4 | Confident | 13 Ų | 13 | 55.5 Ų | 55.5 | 7% | 0.068 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 143.5 | 171.2 | -56.7 | -179.2 | 0 | 0 | 0 | 110.7 | D487 V490 T518 F952 I953 D954 N958 | D487-L956 HydrophobicContact CB-CD1 4.15Å; D487-L956 WeakPolarHBondContact O-CD2 3.33Å; V490-L956 HydrophobicContact CG2-CD1 4.31Å; T518-L956 HydrophobicContact CG2-CD2 3.71Å; F952-L956 CarbonylContact C-O 3.37Å; F952-L956 WeakPolarHBondContact CA-O 3.22Å; I953-L956 PolarHBondContact N-O 3.45Å; I953-L956 WeakPolarHBondContact O-CA 3.35Å; I953-L956 WeakPolarHBondContact O-CB 3.23Å; I953-L956 PolarHBondContact O-N 3.07Å; D954-L956 PolarHBondContact O-N 2.97Å; L956-N958 PolarHBondContact O-N 3.11Å |
| 957 | V | 95.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 125.5 | 172.5 | -179.5 | 0 | 0 | 0 | 0 | 108.3 | S516 G517 P519 I522 F553 F952 F959 M962 | S516-V957 CarbonylContact C-O 3.52Å; S516-V957 WeakPolarHBondContact CA-O 3.35Å; S516-V957 VanDerWaalsContact CB-O 3.26Å; S516-V957 WeakPolarHBondContact CB-O 3.07Å; G517-V957 PolarHBondContact N-O 3.49Å; G517-V957 VanDerWaalsContact N-O 3.11Å; G517-V957 WeakPolarHBondContact O-CB 3.46Å; G517-V957 PolarHBondContact O-N 3.48Å; P519-V957 HydrophobicContact CG-CG2 3.93Å; I522-V957 HydrophobicContact CD1-CB 3.88Å; I522-V957 HydrophobicContact CD1-CG1 4.3Å; I522-V957 HydrophobicContact CD1-CG2 4.48Å; F553-V957 HydrophobicContact CB-CB 4.47Å; F553-V957 HydrophobicContact CB-CG1 3.94Å; F553-V957 HydrophobicContact CB-CG2 3.62Å; F553-V957 HydrophobicContact CD1-CG1 3.72Å; F553-V957 HydrophobicContact CD2-CG1 4.22Å; F553-V957 HydrophobicContact CD2-CG2 3.94Å; F553-V957 HydrophobicContact CE1-CG1 4.25Å; F553-V957 HydrophobicContact CG-CB 4.44Å; F553-V957 HydrophobicContact CG-CG1 3.7Å; F553-V957 HydrophobicContact CG-CG2 3.86Å; F952-V957 HydrophobicContact CD1-CG2 4.26Å; F952-V957 HydrophobicContact CE1-CG2 3.8Å; V957-F959 PolarHBondContact O-N 3.39Å; V957-M962 HydrophobicContact CG1-CG 4.24Å |
| 958 | N | 93.6 | Very high | 90.2 | Very high | 9 Ų | 9 | 55.3 Ų | 55.3 | 5% | 0.048 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 92.7 | 171.6 | -179.1 | -5.1 | 0 | 0 | 0 | 109.6 | K950 T951 I953 L956 E960 K961 M962 | K950-N958 VanDerWaalsContact O-CB 3.27Å; K950-N958 WeakPolarHBondContact O-CB 3.29Å; K950-N958 PolarHBondContact O-ND2 3.32Å; T951-N958 WeakPolarHBondContact O-CB 3.34Å; T951-N958 PolarHBondContact O-N 3.2Å; I953-N958 HydrophobicContact CD1-CB 4.02Å; I953-N958 HydrophobicContact CG1-CB 4.22Å; L956-N958 PolarHBondContact O-N 3.11Å; N958-E960 VanDerWaalsContact C-N 3.32Å; N958-E960 WeakPolarHBondContact OD1-CB 3.44Å; N958-E960 PolarHBondContact OD1-N 2.94Å; N958-K961 HydrophobicContact CB-CB 4.18Å; N958-K961 WeakPolarHBondContact O-CB 3.41Å; N958-K961 PolarHBondContact O-N 2.76Å; N958-K961 PolarHBondContact OD1-N 3.45Å; N958-M962 WeakPolarHBondContact O-CG 3.44Å; N958-M962 PolarHBondContact O-N 3.37Å |
| 959 | F | 93.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -76.8 | -20.5 | -177.5 | -157.9 | -102 | 0 | 0 | 0 | 112.6 | I514 M515 I522 D545 F546 F553 V957 M962 R963 | I514-F959 HydrophobicContact CB-CB 4.44Å; I514-F959 HydrophobicContact CB-CD1 3.74Å; I514-F959 HydrophobicContact CB-CE1 4.37Å; I514-F959 HydrophobicContact CB-CG 4.31Å; I514-F959 HydrophobicContact CD1-CD1 4.43Å; I514-F959 HydrophobicContact CD1-CE1 4.3Å; I514-F959 HydrophobicContact CG2-CB 3.82Å; I514-F959 HydrophobicContact CG2-CD1 3.94Å; I514-F959 HydrophobicContact CG2-CG 3.98Å; M515-F959 PolarHBondContact O-N 3Å; I522-F959 HydrophobicContact CD1-CB 4.35Å; I522-F959 HydrophobicContact CD1-CD2 4.06Å; I522-F959 HydrophobicContact CD1-CG 4.48Å; I522-F959 HydrophobicContact CG2-CD2 4.03Å; I522-F959 HydrophobicContact CG2-CE2 3.91Å; I522-F959 HydrophobicContact CG2-CZ 4.43Å; D545-F959 HydrophobicContact CB-CE1 4.32Å; D545-F959 HydrophobicContact CB-CZ 4.11Å; F546-F959 HydrophobicContact CB-CE2 4.27Å; F546-F959 HydrophobicContact CB-CZ 4.06Å; F546-F959 HydrophobicContact CD2-CE2 4.26Å; F553-F959 HydrophobicContact CZ-CE2 4.27Å; V957-F959 PolarHBondContact O-N 3.39Å; F959-M962 HydrophobicContact CD2-CB 4.09Å; F959-M962 HydrophobicContact CD2-CG 4.25Å; F959-M962 HydrophobicContact CE2-CB 4.39Å; F959-M962 HydrophobicContact CG-CB 4.5Å; F959-M962 PolarHBondContact O-N 2.91Å; F959-R963 WeakPolarHBondContact O-CB 2.96Å; F959-R963 PolarHBondContact O-N 3.25Å |
| 960 | E | 90.8 | Very high | 91.7 | Very high | 56 Ų | 56 | 52 Ų | 52 | 26% | 0.262 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -60.9 | -47.5 | 167.9 | -173.9 | 179.7 | -160.5 | 0 | 0 | 110.6 | M515 N958 M962 R963 M964 | M515-E960 HydrophobicContact CE-CB 4.14Å; M515-E960 HydrophobicContact CE-CG 4.17Å; M515-E960 WeakPolarHBondContact CE-OE2 3.17Å; M515-E960 PolarHBondContact O-N 3.14Å; M515-E960 VanDerWaalsContact O-N 3.12Å; N958-E960 VanDerWaalsContact C-N 3.32Å; N958-E960 WeakPolarHBondContact OD1-CB 3.44Å; N958-E960 PolarHBondContact OD1-N 2.94Å; E960-M962 VanDerWaalsContact C-N 3.32Å; E960-M962 PolarHBondContact O-N 3.42Å; E960-R963 WeakPolarHBondContact O-CB 3.46Å; E960-R963 PolarHBondContact O-N 3.37Å; E960-M964 WeakPolarHBondContact O-CG 3.13Å; E960-M964 PolarHBondContact O-N 3.07Å |
| 961 | K | 92.9 | Very high | 92.2 | Very high | 3 Ų | 3 | 46.3 Ų | 46.3 | 1% | 0.013 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57 | -45.3 | 172.4 | 177.6 | -174.2 | -177.7 | 171.7 | 0 | 111.4 | H946 N949 T951 N958 R963 M964 I965 | H946-K961 PolarHBondContact ND1-NZ 3.41Å; H946-K961 PolarHBondContact O-NZ 3.47Å; N949-K961 HydrophobicContact CB-CB 4.16Å; N949-K961 HydrophobicContact CB-CD 3.9Å; N949-K961 HydrophobicContact CB-CG 3.94Å; N949-K961 VanDerWaalsContact O-CD 3.31Å; N949-K961 WeakPolarHBondContact O-CD 3.2Å; N949-K961 VanDerWaalsContact O-CE 3.23Å; N949-K961 WeakPolarHBondContact O-CE 3.35Å; N949-K961 PolarHBondContact O-NZ 3.49Å; T951-K961 PolarHBondContact OG1-NZ 3.13Å; N958-K961 HydrophobicContact CB-CB 4.18Å; N958-K961 WeakPolarHBondContact O-CB 3.41Å; N958-K961 PolarHBondContact O-N 2.76Å; N958-K961 PolarHBondContact OD1-N 3.45Å; K961-R963 VanDerWaalsContact C-N 3.33Å; K961-R963 PolarHBondContact O-N 2.83Å; K961-M964 WeakPolarHBondContact O-CB 3.45Å; K961-M964 PolarHBondContact O-N 3.09Å; K961-I965 WeakPolarHBondContact O-CG1 3.5Å; K961-I965 PolarHBondContact O-N 3.3Å |
| 962 | M | 95.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.4 | -44.2 | 178.7 | -62.3 | -49.7 | 116.4 | 0 | 0 | 111.6 | T549 V552 F553 F812 T951 V957 N958 F959 E960 M964 I965 A966 | T549-M962 HydrophobicContact CG2-CB 4.28Å; V552-M962 HydrophobicContact CB-SD 4.23Å; V552-M962 HydrophobicContact CG1-CE 4.2Å; V552-M962 HydrophobicContact CG1-SD 4.07Å; F553-M962 HydrophobicContact CD1-CG 4.16Å; F553-M962 HydrophobicContact CD1-SD 4.13Å; F553-M962 HydrophobicContact CE1-CG 3.96Å; F553-M962 HydrophobicContact CE1-SD 4.33Å; F812-M962 HydrophobicContact CE1-CE 4.45Å; F812-M962 HydrophobicContact CZ-CE 4.24Å; F812-M962 HydrophobicContact CZ-SD 4.47Å; T951-M962 HydrophobicContact CG2-CE 3.91Å; V957-M962 HydrophobicContact CG1-CG 4.24Å; N958-M962 WeakPolarHBondContact O-CG 3.44Å; N958-M962 PolarHBondContact O-N 3.37Å; F959-M962 HydrophobicContact CD2-CB 4.09Å; F959-M962 HydrophobicContact CD2-CG 4.25Å; F959-M962 HydrophobicContact CE2-CB 4.39Å; F959-M962 HydrophobicContact CG-CB 4.5Å; F959-M962 PolarHBondContact O-N 2.91Å; E960-M962 VanDerWaalsContact C-N 3.32Å; E960-M962 PolarHBondContact O-N 3.42Å; M962-M964 PolarHBondContact O-N 3.34Å; M962-I965 PolarHBondContact O-N 3.03Å; M962-A966 WeakPolarHBondContact O-CB 3.49Å; M962-A966 PolarHBondContact O-N 3.07Å |
| 963 | R | 93.3 | Very high | 92.5 | Very high | 57 Ų | 57 | 43.6 Ų | 43.6 | 22% | 0.215 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.6 | -41.3 | 175.3 | -174.8 | -176.8 | -56.5 | 140.3 | 12.7 | 112.3 | I514 D545 F959 E960 K961 A966 K967 | I514-R963 PolarHBondContact O-NH2 3.04Å; D545-R963 WeakPolarHBondContact OD2-CG 3.48Å; D545-R963 IonicContact OD2-NE 2.77Å; F959-R963 WeakPolarHBondContact O-CB 2.96Å; F959-R963 PolarHBondContact O-N 3.25Å; E960-R963 WeakPolarHBondContact O-CB 3.46Å; E960-R963 PolarHBondContact O-N 3.37Å; K961-R963 VanDerWaalsContact C-N 3.33Å; K961-R963 PolarHBondContact O-N 2.83Å; R963-A966 PolarHBondContact O-N 3.41Å; R963-K967 WeakPolarHBondContact O-CB 3.27Å; R963-K967 PolarHBondContact O-N 3.48Å |
| 964 | M | 91.2 | Very high | 93 | Very high | 75 Ų | 75 | 46 Ų | 46 | 37% | 0.369 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61 | -45.8 | 176.9 | -68.3 | 173.8 | 71.6 | 0 | 0 | 111.6 | T945 E960 K961 M962 K967 | T945-M964 HydrophobicContact CG2-CB 3.72Å; T945-M964 HydrophobicContact CG2-CE 3.96Å; T945-M964 HydrophobicContact CG2-SD 4.37Å; E960-M964 WeakPolarHBondContact O-CG 3.13Å; E960-M964 PolarHBondContact O-N 3.07Å; K961-M964 WeakPolarHBondContact O-CB 3.45Å; K961-M964 PolarHBondContact O-N 3.09Å; M962-M964 PolarHBondContact O-N 3.34Å; M964-K967 WeakPolarHBondContact O-CB 3.1Å; M964-K967 PolarHBondContact O-N 3.19Å |
| 965 | I | 94.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.9 | -48.3 | 176 | -65.4 | -64.4 | 0 | 0 | 0 | 110.9 | I808 T811 F812 M942 T945 K961 M962 K967 T968 V969 | I808-I965 HydrophobicContact CD1-CG2 3.39Å; T811-I965 HydrophobicContact CG2-CD1 4.28Å; F812-I965 HydrophobicContact CE2-CG1 4.25Å; F812-I965 HydrophobicContact CE2-CG2 4.22Å; F812-I965 HydrophobicContact CZ-CG1 4.35Å; M942-I965 HydrophobicContact CB-CD1 4.41Å; M942-I965 HydrophobicContact CE-CG2 3.78Å; T945-I965 HydrophobicContact CG2-CD1 3.58Å; T945-I965 HydrophobicContact CG2-CG1 4.01Å; K961-I965 WeakPolarHBondContact O-CG1 3.5Å; K961-I965 PolarHBondContact O-N 3.3Å; M962-I965 PolarHBondContact O-N 3.03Å; I965-K967 PolarHBondContact O-N 3.45Å; I965-T968 PolarHBondContact O-N 3.35Å; I965-T968 VanDerWaalsContact O-N 3.09Å; I965-V969 PolarHBondContact O-N 3.18Å |
| 966 | A | 94.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.1 | -34.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D545 L548 T549 M962 R963 T968 V969 K970 | D545-A966 HydrophobicContact CB-CB 4.11Å; D545-A966 WeakPolarHBondContact OD1-CB 3.33Å; L548-A966 HydrophobicContact CD1-CB 4.26Å; T549-A966 HydrophobicContact CG2-CB 4.1Å; M962-A966 WeakPolarHBondContact O-CB 3.49Å; M962-A966 PolarHBondContact O-N 3.07Å; R963-A966 PolarHBondContact O-N 3.41Å; A966-T968 VanDerWaalsContact C-N 3.32Å; A966-T968 PolarHBondContact O-N 2.9Å; A966-V969 PolarHBondContact O-N 3.25Å; A966-K970 WeakPolarHBondContact O-CB 3.28Å; A966-K970 VanDerWaalsContact O-CG 3.29Å; A966-K970 WeakPolarHBondContact O-CG 3.33Å; A966-K970 PolarHBondContact O-N 3.09Å |
| 967 | K | 93.5 | Very high | 94.1 | Very high | 145 Ų | 145 | 38.2 Ų | 38.2 | 63% | 0.63 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -57.5 | -43.1 | 174.4 | -175.7 | -178.3 | 177.3 | -177.6 | 0 | 111.9 | R963 M964 I965 K970 T971 | R963-K967 WeakPolarHBondContact O-CB 3.27Å; R963-K967 PolarHBondContact O-N 3.48Å; M964-K967 WeakPolarHBondContact O-CB 3.1Å; M964-K967 PolarHBondContact O-N 3.19Å; I965-K967 PolarHBondContact O-N 3.45Å; K967-K970 PolarHBondContact O-N 2.96Å; K967-T971 PolarHBondContact O-N 3.33Å; K967-T971 PolarHBondContact O-OG1 2.85Å |
| 968 | T | 94.1 | Very high | 94 | Very high | 19 Ų | 19 | 43.2 Ų | 43.2 | 12% | 0.117 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.5 | -42.2 | 178 | -54.7 | 0 | 0 | 0 | 0 | 111.2 | M938 M942 I965 A966 T971 V972 | M938-T968 HydrophobicContact CB-CG2 4.48Å; M938-T968 HydrophobicContact CE-CG2 3.74Å; M942-T968 HydrophobicContact CG-CG2 3.61Å; M942-T968 HydrophobicContact SD-CG2 3.97Å; I965-T968 PolarHBondContact O-N 3.35Å; I965-T968 VanDerWaalsContact O-N 3.09Å; A966-T968 VanDerWaalsContact C-N 3.32Å; A966-T968 PolarHBondContact O-N 2.9Å; T968-T971 VanDerWaalsContact O-CB 3.28Å; T968-T971 WeakPolarHBondContact O-CB 3.49Å; T968-T971 PolarHBondContact O-N 3.18Å; T968-T971 VanDerWaalsContact O-N 3.15Å; T968-V972 PolarHBondContact O-N 2.85Å; T968-V972 VanDerWaalsContact O-N 3.12Å |
| 969 | V | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.8 | -45.3 | 175.8 | 178.9 | 0 | 0 | 0 | 0 | 111.9 | L548 E804 L807 I808 M942 I965 A966 T971 V972 R973 | L548-V969 HydrophobicContact CD1-CG1 4.29Å; L548-V969 HydrophobicContact CD2-CG1 4.09Å; E804-V969 HydrophobicContact CB-CG1 3.57Å; E804-V969 HydrophobicContact CG-CG1 3.68Å; L807-V969 HydrophobicContact CB-CG2 4.19Å; L807-V969 HydrophobicContact CD1-CG1 4.4Å; L807-V969 HydrophobicContact CD1-CG2 4.18Å; I808-V969 HydrophobicContact CD1-CG2 3.74Å; I808-V969 HydrophobicContact CG1-CG2 4.37Å; M942-V969 HydrophobicContact CE-CG2 3.79Å; I965-V969 PolarHBondContact O-N 3.18Å; A966-V969 PolarHBondContact O-N 3.25Å; V969-T971 PolarHBondContact O-N 2.83Å; V969-V972 WeakPolarHBondContact O-CB 3.11Å; V969-V972 PolarHBondContact O-N 3.36Å; V969-V972 VanDerWaalsContact O-N 3.09Å; V969-R973 PolarHBondContact O-N 3.37Å |
| 970 | K | 94.5 | Very high | 93.4 | Very high | 47 Ų | 47 | 49.5 Ų | 49.5 | 20% | 0.204 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.8 | -29.3 | 174.7 | -70.3 | -177.5 | -55.7 | -167.1 | 0 | 112.5 | S541 D544 D545 L548 A966 K967 R973 Y974 | S541-K970 PolarHBondContact OG-NZ 3.15Å; D544-K970 WeakPolarHBondContact OD2-CD 3.1Å; D545-K970 WeakPolarHBondContact OD1-CE 3.48Å; D545-K970 IonicContact OD1-NZ 4Å; D545-K970 PolarHBondContact OD1-NZ 3.41Å; D545-K970 IonicContact OD2-NZ 3.64Å; L548-K970 HydrophobicContact CD1-CD 4.46Å; L548-K970 HydrophobicContact CD1-CG 3.92Å; A966-K970 WeakPolarHBondContact O-CB 3.28Å; A966-K970 VanDerWaalsContact O-CG 3.29Å; A966-K970 WeakPolarHBondContact O-CG 3.33Å; A966-K970 PolarHBondContact O-N 3.09Å; K967-K970 PolarHBondContact O-N 2.96Å; K970-R973 WeakPolarHBondContact O-CB 3.45Å; K970-R973 PolarHBondContact O-N 2.89Å; K970-Y974 WeakPolarHBondContact O-CB 3.19Å; K970-Y974 PolarHBondContact O-N 3Å |
| 971 | T | 94.5 | Very high | 92.8 | Very high | 42 Ų | 42 | 51.5 Ų | 51.5 | 26% | 0.258 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.5 | -43.5 | 173.2 | -53.3 | 0 | 0 | 0 | 0 | 110.5 | M938 K967 T968 V969 R973 Y974 Y975 | M938-T971 HydrophobicContact CE-CG2 4.31Å; K967-T971 PolarHBondContact O-N 3.33Å; K967-T971 PolarHBondContact O-OG1 2.85Å; T968-T971 VanDerWaalsContact O-CB 3.28Å; T968-T971 WeakPolarHBondContact O-CB 3.49Å; T968-T971 PolarHBondContact O-N 3.18Å; T968-T971 VanDerWaalsContact O-N 3.15Å; V969-T971 PolarHBondContact O-N 2.83Å; T971-R973 VanDerWaalsContact C-N 3.33Å; T971-R973 PolarHBondContact O-N 3.44Å; T971-Y974 WeakPolarHBondContact O-CB 3.46Å; T971-Y974 PolarHBondContact O-N 2.81Å; T971-Y975 HydrophobicContact CG2-CD2 4.07Å; T971-Y975 HydrophobicContact CG2-CE1 4.27Å; T971-Y975 HydrophobicContact CG2-CE2 3.35Å; T971-Y975 VanDerWaalsContact CG2-CZ 3.44Å; T971-Y975 WeakPolarHBondContact CG2-OH 3.21Å; T971-Y975 VanDerWaalsContact O-CD2 3.3Å; T971-Y975 WeakPolarHBondContact O-CD2 3.4Å; T971-Y975 PolarHBondContact O-N 3.27Å |
| 972 | V | 95.2 | Very high | 91.8 | Very high | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.6 | -46.5 | 171.7 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | F799 L807 M938 T968 V969 Y974 Y975 R976 | F799-V972 HydrophobicContact CE2-CG1 3.71Å; F799-V972 HydrophobicContact CZ-CG1 3.72Å; L807-V972 HydrophobicContact CD1-CB 4.19Å; L807-V972 HydrophobicContact CD1-CG1 4.27Å; L807-V972 HydrophobicContact CD1-CG2 3.85Å; M938-V972 HydrophobicContact CE-CG2 3.33Å; M938-V972 HydrophobicContact SD-CG2 3.88Å; T968-V972 PolarHBondContact O-N 2.85Å; T968-V972 VanDerWaalsContact O-N 3.12Å; V969-V972 WeakPolarHBondContact O-CB 3.11Å; V969-V972 PolarHBondContact O-N 3.36Å; V969-V972 VanDerWaalsContact O-N 3.09Å; V972-Y974 VanDerWaalsContact C-N 3.32Å; V972-Y974 PolarHBondContact O-N 2.74Å; V972-Y975 PolarHBondContact O-N 3.26Å; V972-R976 WeakPolarHBondContact O-CG 3.39Å; V972-R976 PolarHBondContact O-N 3.2Å |
| 973 | R | 94.5 | Very high | 90.4 | Very high | 68 Ų | 68 | 60.9 Ų | 60.9 | 26% | 0.257 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57.1 | -44.2 | 175.5 | -169.9 | -171.2 | -61 | 154.6 | -8.3 | 112.2 | D544 E804 V969 K970 T971 R976 S977 | D544-R973 IonicContact OD1-NH1 2.83Å; D544-R973 IonicContact OD1-NH2 2.74Å; D544-R973 IonicContact OD2-CZ 3.56Å; D544-R973 IonicContact OD2-NH1 3.69Å; D544-R973 PolarHBondContact OD2-NH1 3.47Å; D544-R973 IonicContact OD2-NH2 3.62Å; E804-R973 VanDerWaalsContact CD-NE 3.29Å; E804-R973 WeakPolarHBondContact OE1-CB 3.4Å; E804-R973 VanDerWaalsContact OE1-CG 3.24Å; E804-R973 WeakPolarHBondContact OE1-CG 3.39Å; E804-R973 IonicContact OE1-CZ 3.63Å; E804-R973 IonicContact OE1-NE 4Å; E804-R973 PolarHBondContact OE1-NE 3.16Å; E804-R973 IonicContact OE2-CZ 2.64Å; E804-R973 IonicContact OE2-NE 2.93Å; E804-R973 PolarHBondContact OE2-NE 3.49Å; E804-R973 IonicContact OE2-NH2 2.76Å; E804-R973 PolarHBondContact OE2-NH2 3.41Å; V969-R973 PolarHBondContact O-N 3.37Å; K970-R973 WeakPolarHBondContact O-CB 3.45Å; K970-R973 PolarHBondContact O-N 2.89Å; T971-R973 VanDerWaalsContact C-N 3.33Å; T971-R973 PolarHBondContact O-N 3.44Å; R973-R976 WeakPolarHBondContact O-CG 3.39Å; R973-R976 PolarHBondContact O-N 3.46Å; R973-S977 PolarHBondContact O-N 2.61Å |
| 974 | Y | 94.6 | Very high | 88.9 | Confident | 125 Ų | 125 | 61.5 Ų | 61.5 | 49% | 0.49 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 177.1 | 173.9 | -105.7 | 0 | 0 | 0 | 111.7 | P929 K970 T971 V972 R976 S977 | P929-Y974 VanDerWaalsContact CD-CZ 3.42Å; P929-Y974 VanDerWaalsContact CD-OH 3.32Å; P929-Y974 WeakPolarHBondContact CD-OH 3.42Å; P929-Y974 HydrophobicContact CG-CD1 4Å; P929-Y974 HydrophobicContact CG-CD2 4.14Å; P929-Y974 HydrophobicContact CG-CE1 3.66Å; P929-Y974 HydrophobicContact CG-CE2 3.82Å; P929-Y974 HydrophobicContact CG-CG 4.23Å; P929-Y974 WeakPolarHBondContact CG-O 3.29Å; K970-Y974 WeakPolarHBondContact O-CB 3.19Å; K970-Y974 PolarHBondContact O-N 3Å; T971-Y974 WeakPolarHBondContact O-CB 3.46Å; T971-Y974 PolarHBondContact O-N 2.81Å; V972-Y974 VanDerWaalsContact C-N 3.32Å; V972-Y974 PolarHBondContact O-N 2.74Å; Y974-R976 PolarHBondContact O-N 2.86Å; Y974-S977 VanDerWaalsContact O-CB 3.28Å; Y974-S977 WeakPolarHBondContact O-CB 3.34Å; Y974-S977 PolarHBondContact O-N 3.48Å; Y974-S977 VanDerWaalsContact O-N 3.07Å; Y974-S977 PolarHBondContact O-OG 2.74Å |
| 975 | Y | 95.6 | Very high | 87.5 | Confident | 29 Ų | 29 | 58.6 Ų | 58.6 | 11% | 0.114 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.6 | -30.7 | -178.3 | -68.2 | -35.9 | 0 | 0 | 0 | 113.8 | V924 V931 P933 M938 T971 V972 | V924-Y975 HydrophobicContact CG1-CE1 3.73Å; V924-Y975 WeakPolarHBondContact CG1-OH 3.3Å; V931-Y975 HydrophobicContact CB-CD1 3.92Å; V931-Y975 HydrophobicContact CB-CG 4.22Å; V931-Y975 HydrophobicContact CG1-CD1 4.27Å; V931-Y975 HydrophobicContact CG2-CD1 4.4Å; V931-Y975 PolarHBondContact N-O 3.01Å; V931-Y975 WeakPolarHBondContact O-CB 3.48Å; P933-Y975 HydrophobicContact CB-CD2 3.73Å; P933-Y975 HydrophobicContact CB-CE2 3.66Å; P933-Y975 HydrophobicContact CG-CD2 3.7Å; P933-Y975 HydrophobicContact CG-CE2 4.1Å; M938-Y975 HydrophobicContact CE-CE2 4.39Å; M938-Y975 HydrophobicContact SD-CE2 4.31Å; T971-Y975 HydrophobicContact CG2-CD2 4.07Å; T971-Y975 HydrophobicContact CG2-CE1 4.27Å; T971-Y975 HydrophobicContact CG2-CE2 3.35Å; T971-Y975 VanDerWaalsContact CG2-CZ 3.44Å; T971-Y975 WeakPolarHBondContact CG2-OH 3.21Å; T971-Y975 VanDerWaalsContact O-CD2 3.3Å; T971-Y975 WeakPolarHBondContact O-CD2 3.4Å; T971-Y975 PolarHBondContact O-N 3.27Å; V972-Y975 PolarHBondContact O-N 3.26Å |
| 976 | R | 94.8 | Very high | 85.7 | Confident | 50 Ų | 50 | 67.6 Ų | 67.6 | 19% | 0.189 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 10.5 | 176.4 | 72.5 | -171.1 | -172.4 | 164.4 | 5.4 | 114.9 | W796 F799 V802 E804 V972 R973 Y974 Q978 | W796-R976 HydrophobicContact CH2-CB 4.39Å; W796-R976 HydrophobicContact CZ3-CB 3.88Å; F799-R976 HydrophobicContact CE1-CB 4.19Å; V802-R976 PolarHBondContact O-NH1 2.95Å; E804-R976 IonicContact OE1-CZ 3.82Å; E804-R976 IonicContact OE1-NE 2.75Å; E804-R976 IonicContact OE1-NH2 2.79Å; E804-R976 PolarHBondContact OE1-NH2 3.49Å; V972-R976 WeakPolarHBondContact O-CG 3.39Å; V972-R976 PolarHBondContact O-N 3.2Å; R973-R976 WeakPolarHBondContact O-CG 3.39Å; R973-R976 PolarHBondContact O-N 3.46Å; Y974-R976 PolarHBondContact O-N 2.86Å; R976-Q978 PolarHBondContact O-N 3.47Å |
| 977 | S | 94 | Very high | 83.8 | Confident | 75 Ų | 75 | 72 Ų | 72 | 52% | 0.524 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -69.5 | -15.6 | -177.3 | 62.4 | 0 | 0 | 0 | 0 | 114.5 | R973 Y974 | R973-S977 PolarHBondContact O-N 2.61Å; Y974-S977 VanDerWaalsContact O-CB 3.28Å; Y974-S977 WeakPolarHBondContact O-CB 3.34Å; Y974-S977 PolarHBondContact O-N 3.48Å; Y974-S977 VanDerWaalsContact O-N 3.07Å; Y974-S977 PolarHBondContact O-OG 2.74Å |
| 978 | Q | 92.4 | Very high | 82 | Confident | 105 Ų | 105 | 67.1 Ų | 67.1 | 49% | 0.491 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -120.2 | 152.7 | 175.4 | -64.9 | -174.6 | 20.2 | 0 | 0 | 110.2 | P929 P930 R976 | P929-Q978 HydrophobicContact CB-CB 4.14Å; P929-Q978 HydrophobicContact CB-CG 4.05Å; P929-Q978 PolarHBondContact O-OE1 3.44Å; P929-Q978 VanDerWaalsContact O-OE1 3.08Å; P930-Q978 HydrophobicContact CB-CB 4.42Å; P930-Q978 WeakPolarHBondContact CB-O 3.39Å; R976-Q978 PolarHBondContact O-N 3.47Å |
| 979 | T | 87.2 | Confident | 80.1 | Confident | 108 Ų | 108 | 76 Ų | 76 | 66% | 0.663 | 42% | 0.415 | S | S | * | . | trans | -81.1 | 141.6 | 178.4 | 53.7 | 0 | 0 | 0 | 0 | 111.6 | S981 | T979-S981 PolarHBondContact O-N 3.36Š| ||
| 980 | F | 88 | Confident | 78.3 | Confident | 32 Ų | 32 | 80.9 Ų | 80.9 | 14% | 0.14 | 44% | 0.438 | C | S | . | . | trans | -77 | 109.9 | 170.2 | -179.4 | -106.4 | 0 | 0 | 0 | 110.9 | Y789 T792 W796 Y868 P982 | Y789-F980 HydrophobicContact CE2-CE1 4.47Å; T792-F980 HydrophobicContact CG2-CD2 4.32Å; T792-F980 HydrophobicContact CG2-CE1 3.91Å; T792-F980 HydrophobicContact CG2-CE2 3.67Å; T792-F980 HydrophobicContact CG2-CZ 3.41Å; T792-F980 VanDerWaalsContact CG2-CZ 3.41Å; W796-F980 VanDerWaalsContact CD1-CB 3.47Å; W796-F980 AromaticContact CD1-CD1 3.65Å; W796-F980 AromaticContact CD1-CD2 3.81Å; W796-F980 AromaticContact CD1-CG 3.36Å; W796-F980 HydrophobicContact CD2-CB 4.08Å; W796-F980 HydrophobicContact CG-CB 3.92Å; W796-F980 HydrophobicContact CG-CG 4.25Å; W796-F980 AromaticContact NE1-CD2 3.41Å; W796-F980 AromaticContact NE1-CG 3.38Å; Y868-F980 HydrophobicContact CD1-CE2 4.4Å; Y868-F980 HydrophobicContact CD1-CZ 4.29Å; Y868-F980 HydrophobicContact CG-CE2 4.46Å; Y868-F980 HydrophobicContact CG-CZ 4.3Å; F980-P982 HydrophobicContact CD1-CG 4.31Å; F980-P982 HydrophobicContact CD2-CG 4.23Å; F980-P982 HydrophobicContact CE1-CG 3.66Å; F980-P982 HydrophobicContact CE2-CG 3.56Å; F980-P982 HydrophobicContact CZ-CG 3.24Å | ||
| 981 | S | 77.9 | Confident | 76.9 | Confident | 99 Ų | 99 | 81.3 Ų | 81.3 | 69% | 0.692 | 44% | 0.44 | S | S | * | . | trans | -143.1 | 65.1 | 177.7 | 62.4 | 0 | 0 | 0 | 0 | 112.8 | T979 | T979-S981 PolarHBondContact O-N 3.36Š| ||
| 982 | P | 70.9 | Confident | 75.5 | Confident | 43 Ų | 43 | 83.2 Ų | 83.2 | 28% | 0.279 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -75.5 | 159.3 | 170 | 26.8 | -24.1 | 0 | 0 | 0 | 111.4 | Y789 Y868 F980 S984 | Y789-P982 HydrophobicContact CD2-CG 4.3Å; Y789-P982 HydrophobicContact CE2-CG 3.96Å; Y868-P982 HydrophobicContact CD1-CB 4.49Å; Y868-P982 HydrophobicContact CD1-CG 4.29Å; Y868-P982 HydrophobicContact CE1-CB 4.29Å; Y868-P982 HydrophobicContact CE1-CG 4.29Å; F980-P982 HydrophobicContact CD1-CG 4.31Å; F980-P982 HydrophobicContact CD2-CG 4.23Å; F980-P982 HydrophobicContact CE1-CG 3.66Å; F980-P982 HydrophobicContact CE2-CG 3.56Å; F980-P982 HydrophobicContact CZ-CG 3.24Å; P982-S984 PolarHBondContact O-N 3.15Å |
| 983 | D | 66.2 | Low | 74.7 | Confident | 157 Ų | 157 | 87.4 Ų | 87.4 | 84% | 0.84 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -49.9 | 116 | 172.7 | -68.1 | -33.7 | 0 | 0 | 0 | 109.8 | ||
| 984 | S | 62.7 | Low | 74.2 | Confident | 70 Ų | 70 | 84.2 Ų | 84.2 | 49% | 0.49 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 133.4 | 174.8 | 178.6 | 0 | 0 | 0 | 0 | 108.3 | P982 Q986 | P982-S984 PolarHBondContact O-N 3.15Å; S984-Q986 PolarHBondContact O-N 3.38Å |
| 985 | P | 61.3 | Low | 73.6 | Confident | 14 Ų | 14 | 80.2 Ų | 80.2 | 9% | 0.091 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -52.3 | 136.6 | 167.2 | 19.3 | -26.1 | 0 | 0 | 0 | 108.4 | D786 Y789 A987 | D786-P985 WeakPolarHBondContact OD1-CB 3.32Å; D786-P985 WeakPolarHBondContact OD1-CG 3.45Å; Y789-P985 HydrophobicContact CD1-CG 4.06Å; Y789-P985 HydrophobicContact CE1-CG 4.48Å; Y789-P985 HydrophobicContact CG-CG 4.15Å; P985-A987 PolarHBondContact O-N 2.95Å; P985-A987 VanDerWaalsContact O-N 3.15Å |
| 986 | Q | 57 | Low | 73.1 | Confident | 188 Ų | 188 | 81.3 Ų | 81.3 | 88% | 0.879 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -48.1 | 125.9 | 176.5 | -70.1 | 174.4 | -11.7 | 0 | 0 | 107.8 | S984 G988 | S984-Q986 PolarHBondContact O-N 3.38Å; Q986-G988 VanDerWaalsContact C-N 3.28Å; Q986-G988 PolarHBondContact O-N 3.45Å |
| 987 | A | 54.3 | Low | 72.7 | Confident | 94 Ų | 94 | 80.5 Ų | 80.5 | 78% | 0.777 | 46% | 0.455 | S | S | * | . | trans | -55.7 | 89.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | P985 | P985-A987 PolarHBondContact O-N 2.95Å; P985-A987 VanDerWaalsContact O-N 3.15Å | ||
| 988 | G | 55.7 | Low | 72.5 | Confident | 42 Ų | 42 | 77 Ų | 77 | 43% | 0.433 | 43% | 0.431 | S | S | . | . | trans | -71.2 | 158.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110 | Q986 H990 H991 | Q986-G988 VanDerWaalsContact C-N 3.28Å; Q986-G988 PolarHBondContact O-N 3.45Å; G988-H990 PolarHBondContact O-N 2.98Å; G988-H991 PolarHBondContact O-N 2.9Å | ||
| 989 | K | 54.6 | Low | 72.3 | Confident | 205 Ų | 205 | 73.5 Ų | 73.5 | 89% | 0.891 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -13.2 | -177.7 | -66.9 | -177.3 | 178.4 | -179.5 | 0 | 115.1 | ||
| 990 | H | 58.8 | Low | 72.2 | Confident | 102 Ų | 102 | 73.7 Ų | 73.7 | 47% | 0.472 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | 8.1 | -173.9 | -65 | -66.2 | 0 | 0 | 0 | 115 | G988 D993 V994 | G988-H990 PolarHBondContact O-N 2.98Å; H990-D993 IonicContact ND1-OD2 2.74Å; H990-D993 WeakPolarHBondContact O-CB 3.34Å; H990-D993 PolarHBondContact O-N 2.71Å; H990-D993 VanDerWaalsContact O-N 3.14Å; H990-V994 WeakPolarHBondContact O-CG2 3.24Å; H990-V994 PolarHBondContact O-N 3.22Å |
| 991 | H | 64.4 | Low | 72.2 | Confident | 57 Ų | 57 | 73 Ų | 73 | 26% | 0.264 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -58.4 | -41.5 | -172.3 | -170.9 | -81.3 | 0 | 0 | 0 | 115.1 | H790 G988 D993 W995 | H790-H991 AromaticContact CE1-CD2 3.94Å; H790-H991 AromaticContact CE1-CE1 3.26Å; H790-H991 PolarHBondContact CE1-CE1 3.08Å; H790-H991 AromaticContact CE1-ND1 3.78Å; H790-H991 AromaticContact CE1-NE2 3.35Å; H790-H991 PolarHBondContact CE1-NE2 3.43Å; H790-H991 VanDerWaalsContact CE1-NE2 3.35Å; H790-H991 AromaticContact NE2-CD2 3.49Å; H790-H991 PolarHBondContact NE2-CD2 3.13Å; H790-H991 AromaticContact NE2-CE1 3.58Å; H790-H991 AromaticContact NE2-CG 3.77Å; H790-H991 AromaticContact NE2-ND1 3.8Å; H790-H991 AromaticContact NE2-NE2 3.37Å; H790-H991 PolarHBondContact NE2-NE2 2.85Å; G988-H991 PolarHBondContact O-N 2.9Å; H991-D993 VanDerWaalsContact C-N 3.33Å; H991-D993 PolarHBondContact O-N 3.44Å; H991-W995 PolarHBondContact O-N 3.12Å |
| 992 | P | 65.1 | Low | 72.6 | Confident | 82 Ų | 82 | 71.5 Ų | 71.5 | 53% | 0.532 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -66.5 | -31.7 | 175.4 | -21 | 34.5 | 0 | 0 | 0 | 114 | T996 | P992-T996 PolarHBondContact O-N 2.99Å; P992-T996 VanDerWaalsContact O-N 3.16Å; P992-T996 PolarHBondContact O-OG1 3Å |
| 993 | D | 79.4 | Confident | 73.6 | Confident | 90 Ų | 90 | 69.5 Ų | 69.5 | 48% | 0.481 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -70.8 | -40.7 | -179.6 | -56.8 | -30.5 | 0 | 0 | 0 | 110.8 | H990 H991 T996 Y997 | H990-D993 IonicContact ND1-OD2 2.74Å; H990-D993 WeakPolarHBondContact O-CB 3.34Å; H990-D993 PolarHBondContact O-N 2.71Å; H990-D993 VanDerWaalsContact O-N 3.14Å; H991-D993 VanDerWaalsContact C-N 3.33Å; H991-D993 PolarHBondContact O-N 3.44Å; D993-T996 PolarHBondContact O-N 3.36Å; D993-Y997 WeakPolarHBondContact O-CB 3.42Å; D993-Y997 PolarHBondContact O-N 2.97Å |
| 994 | V | 83.8 | Confident | 74.9 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.006 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.4 | -44.8 | 176.8 | -176 | 0 | 0 | 0 | 0 | 110.8 | M782 D786 V787 H790 H990 T996 Y997 V998 | M782-V994 HydrophobicContact CB-CG2 4.05Å; M782-V994 HydrophobicContact CE-CG2 4.41Å; M782-V994 HydrophobicContact CG-CG2 3.74Å; M782-V994 HydrophobicContact SD-CB 4.29Å; M782-V994 HydrophobicContact SD-CG1 4.27Å; M782-V994 HydrophobicContact SD-CG2 3.9Å; D786-V994 HydrophobicContact CB-CG1 4.31Å; V787-V994 HydrophobicContact CG2-CG1 4.01Å; H790-V994 HydrophobicContact CB-CG1 4.44Å; H990-V994 WeakPolarHBondContact O-CG2 3.24Å; H990-V994 PolarHBondContact O-N 3.22Å; V994-T996 VanDerWaalsContact C-N 3.32Å; V994-T996 PolarHBondContact O-N 3.38Å; V994-Y997 PolarHBondContact O-N 3.38Å; V994-V998 HydrophobicContact CG1-CG2 4.25Å; V994-V998 WeakPolarHBondContact O-CG2 3.21Å; V994-V998 PolarHBondContact O-N 3.43Å |
| 995 | W | 82 | Confident | 76.2 | Confident | 41 Ų | 41 | 59.1 Ų | 59.1 | 16% | 0.155 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.6 | -44.7 | 178.7 | -177.9 | 98.9 | 0 | 0 | 0 | 111.7 | K668 L669 H790 H991 R999 | K668-W995 WeakPolarHBondContact O-CH2 3.46Å; K668-W995 WeakPolarHBondContact O-CZ3 3.44Å; L669-W995 HydrophobicContact CD2-CE3 4.3Å; L669-W995 HydrophobicContact CD2-CH2 4.38Å; L669-W995 HydrophobicContact CD2-CZ3 4.13Å; H790-W995 AromaticContact ND1-CD1 3.76Å; H991-W995 PolarHBondContact O-N 3.12Å; W995-R999 VanDerWaalsContact CZ2-CD 3.42Å; W995-R999 WeakPolarHBondContact O-CG 3.34Å; W995-R999 PolarHBondContact O-N 2.95Å |
| 996 | T | 84.3 | Confident | 77.7 | Confident | 53 Ų | 53 | 59.4 Ų | 59.4 | 33% | 0.325 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.5 | -45.6 | 179.9 | -54.8 | 0 | 0 | 0 | 0 | 110.9 | P992 D993 V994 V998 R999 Q1000 | P992-T996 PolarHBondContact O-N 2.99Å; P992-T996 VanDerWaalsContact O-N 3.16Å; P992-T996 PolarHBondContact O-OG1 3Å; D993-T996 PolarHBondContact O-N 3.36Å; V994-T996 VanDerWaalsContact C-N 3.32Å; V994-T996 PolarHBondContact O-N 3.38Å; T996-V998 PolarHBondContact O-N 3.47Å; T996-R999 PolarHBondContact O-N 3.38Å; T996-Q1000 PolarHBondContact O-N 3.26Å |
| 997 | Y | 87.4 | Confident | 79.2 | Confident | 33 Ų | 33 | 52.5 Ų | 52.5 | 13% | 0.129 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.4 | -48.4 | 179 | 175.7 | -101 | 0 | 0 | 0 | 112.5 | S775 F779 M782 W837 D993 V994 R999 Q1000 L1001 | S775-Y997 WeakPolarHBondContact OG-CE2 3.48Å; S775-Y997 PolarHBondContact OG-OH 3.33Å; F779-Y997 HydrophobicContact CB-CE1 4.46Å; F779-Y997 AromaticContact CD2-CE1 3.63Å; F779-Y997 HydrophobicContact CD2-CE1 3.63Å; F779-Y997 AromaticContact CD2-CZ 3.95Å; F779-Y997 HydrophobicContact CE2-CE1 4.23Å; F779-Y997 HydrophobicContact CG-CE1 4.28Å; M782-Y997 HydrophobicContact CE-CD1 4.28Å; M782-Y997 HydrophobicContact CE-CG 3.95Å; M782-Y997 HydrophobicContact SD-CD1 3.8Å; M782-Y997 HydrophobicContact SD-CE1 4.38Å; M782-Y997 HydrophobicContact SD-CG 4.09Å; W837-Y997 AromaticContact CZ2-CE1 3.99Å; W837-Y997 HydrophobicContact CZ2-CE1 3.99Å; W837-Y997 AromaticContact NE1-CZ 3.79Å; W837-Y997 PolarHBondContact NE1-OH 3.25Å; D993-Y997 WeakPolarHBondContact O-CB 3.42Å; D993-Y997 PolarHBondContact O-N 2.97Å; V994-Y997 PolarHBondContact O-N 3.38Å; Y997-R999 VanDerWaalsContact C-N 3.26Å; Y997-R999 PolarHBondContact O-N 3.25Å; Y997-Q1000 CarbonylContact O-C 3.59Å; Y997-Q1000 PolarHBondContact O-N 3.1Å; Y997-L1001 HydrophobicContact CE1-CD2 4.24Å; Y997-L1001 WeakPolarHBondContact O-CD2 3.46Å |
| 998 | V | 89.6 | Confident | 80.8 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.012 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.4 | -29 | -176.7 | 168.8 | 0 | 0 | 0 | 0 | 113.2 | V787 H790 M791 R830 V994 T996 | V787-V998 HydrophobicContact CG1-CG2 4.22Å; H790-V998 HydrophobicContact CB-CB 4.42Å; H790-V998 HydrophobicContact CB-CG1 4.45Å; H790-V998 HydrophobicContact CB-CG2 4.24Å; M791-V998 HydrophobicContact CB-CG1 3.92Å; M791-V998 HydrophobicContact CG-CG1 4.46Å; R830-V998 PolarHBondContact NH1-O 3.36Å; R830-V998 VanDerWaalsContact NH1-O 3.1Å; R830-V998 PolarHBondContact NH2-O 2.92Å; V994-V998 HydrophobicContact CG1-CG2 4.25Å; V994-V998 WeakPolarHBondContact O-CG2 3.21Å; V994-V998 PolarHBondContact O-N 3.43Å; T996-V998 PolarHBondContact O-N 3.47Å |
| 999 | R | 87.6 | Confident | 82.4 | Confident | 30 Ų | 30 | 56.8 Ų | 56.8 | 11% | 0.113 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -88.2 | -11.3 | 179.9 | -70.7 | -172.6 | -179.5 | -127.3 | -1.3 | 114.3 | Y794 E797 W995 T996 Y997 | Y794-R999 HydrophobicContact CD1-CG 4.04Å; Y794-R999 HydrophobicContact CD2-CG 3.95Å; Y794-R999 HydrophobicContact CE1-CG 4.29Å; Y794-R999 HydrophobicContact CE2-CG 4.24Å; Y794-R999 HydrophobicContact CG-CG 3.86Å; E797-R999 IonicContact OE1-CZ 3.78Å; E797-R999 IonicContact OE1-NH1 2.94Å; E797-R999 IonicContact OE1-NH2 2.65Å; E797-R999 PolarHBondContact OE1-NH2 2.81Å; E797-R999 IonicContact OE2-CZ 3.95Å; E797-R999 VanDerWaalsContact OE2-CZ 3.31Å; E797-R999 IonicContact OE2-NH1 3.69Å; E797-R999 PolarHBondContact OE2-NH1 2.74Å; E797-R999 IonicContact OE2-NH2 3.16Å; E797-R999 PolarHBondContact OE2-NH2 2.86Å; W995-R999 VanDerWaalsContact CZ2-CD 3.42Å; W995-R999 WeakPolarHBondContact O-CG 3.34Å; W995-R999 PolarHBondContact O-N 2.95Å; T996-R999 PolarHBondContact O-N 3.38Å; Y997-R999 VanDerWaalsContact C-N 3.26Å; Y997-R999 PolarHBondContact O-N 3.25Å |
| 1000 | Q | 85.1 | Confident | 84.2 | Confident | 113 Ų | 113 | 47 Ų | 47 | 53% | 0.528 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -130.3 | 51.4 | -174 | -62.7 | -177.7 | -9.5 | 0 | 0 | 110 | T996 Y997 S1002 | T996-Q1000 PolarHBondContact O-N 3.26Å; Y997-Q1000 CarbonylContact O-C 3.59Å; Y997-Q1000 PolarHBondContact O-N 3.1Å; Q1000-S1002 PolarHBondContact O-N 3.37Å |
| 1001 | L | 87.8 | Confident | 85.7 | Confident | 16 Ų | 16 | 44.3 Ų | 44.3 | 8% | 0.084 | 22% | 0.224 | C | C | . | . | trans | -68 | 133 | 177 | -59.2 | 176.9 | 0 | 0 | 0 | 108.7 | E833 I834 W837 Y997 V1003 | E833-L1001 HydrophobicContact CG-CB 4.03Å; E833-L1001 HydrophobicContact CG-CD1 4.22Å; I834-L1001 HydrophobicContact CG1-CD1 4.49Å; W837-L1001 HydrophobicContact CB-CD1 4.05Å; W837-L1001 HydrophobicContact CD2-CD1 4.28Å; W837-L1001 HydrophobicContact CD2-CD2 4.29Å; W837-L1001 HydrophobicContact CG-CD1 4.04Å; W837-L1001 HydrophobicContact CG-CD2 4.09Å; Y997-L1001 HydrophobicContact CE1-CD2 4.24Å; Y997-L1001 WeakPolarHBondContact O-CD2 3.46Å; L1001-V1003 HydrophobicContact CB-CG1 4.25Å | ||
| 1002 | S | 86.4 | Confident | 87 | Confident | 68 Ų | 68 | 48.2 Ų | 48.2 | 48% | 0.476 | 24% | 0.242 | S | C | . | . | trans | -113.1 | 124.5 | 171.3 | -64 | 0 | 0 | 0 | 0 | 107.1 | L771 Q1000 | L771-S1002 WeakPolarHBondContact CD1-O 3.3Å; Q1000-S1002 PolarHBondContact O-N 3.37Å | ||
| 1003 | V | 91.8 | Very high | 88.4 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.012 | 23% | 0.231 | C | C | . | . | trans | -134.6 | 155.5 | -167.7 | -53.7 | 0 | 0 | 0 | 0 | 111.2 | I747 N748 F836 W837 L1001 | I747-V1003 HydrophobicContact CB-CG2 4.47Å; I747-V1003 HydrophobicContact CD1-CG2 4.12Å; I747-V1003 HydrophobicContact CG2-CG2 3.71Å; N748-V1003 PolarHBondContact ND2-O 2.67Å; F836-V1003 HydrophobicContact CB-CB 4.02Å; F836-V1003 HydrophobicContact CB-CG2 3.97Å; W837-V1003 HydrophobicContact CB-CG1 3.73Å; L1001-V1003 HydrophobicContact CB-CG1 4.25Å | ||
| 1004 | I | 92.9 | Very high | 89.1 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | trans | -93 | 116.8 | 165.2 | -57 | 170.3 | 0 | 0 | 0 | 106.3 | F836 T840 L844 N1006 T1009 L1010 L1013 | F836-I1004 WeakPolarHBondContact CD1-O 3.44Å; T840-I1004 HydrophobicContact CG2-CB 4.38Å; T840-I1004 HydrophobicContact CG2-CD1 4.09Å; T840-I1004 HydrophobicContact CG2-CG1 3.95Å; T840-I1004 PolarHBondContact OG1-N 2.59Å; T840-I1004 PolarHBondContact OG1-O 2.93Å; L844-I1004 HydrophobicContact CD1-CD1 4.25Å; L844-I1004 HydrophobicContact CD2-CD1 4.26Å; L844-I1004 HydrophobicContact CG-CD1 4.38Å; I1004-N1006 HydrophobicContact CG2-CB 4.34Å; I1004-T1009 HydrophobicContact CG2-CG2 4.26Å; I1004-L1010 HydrophobicContact CB-CD2 3.85Å; I1004-L1010 HydrophobicContact CB-CG 4.32Å; I1004-L1010 HydrophobicContact CD1-CD2 4.31Å; I1004-L1010 HydrophobicContact CG2-CD2 3.89Å; I1004-L1010 HydrophobicContact CG2-CG 3.91Å; I1004-L1010 WeakPolarHBondContact O-CD1 3.5Å; I1004-L1013 HydrophobicContact CD1-CD1 4.06Å | ||
| 1005 | D | 91.2 | Very high | 89.5 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.027 | 22% | 0.223 | C | C | . | . | trans | -100.6 | -3.4 | 174 | 65.9 | -17.6 | 0 | 0 | 0 | 112.5 | S727 S746 I747 N748 F836 Q1007 | S727-D1005 VanDerWaalsContact CB-OD1 3.28Å; S727-D1005 WeakPolarHBondContact CB-OD1 3.4Å; S727-D1005 PolarHBondContact OG-OD1 3.21Å; S746-D1005 PolarHBondContact OG-OD2 3.06Å; I747-D1005 HydrophobicContact CB-CB 4.42Å; I747-D1005 HydrophobicContact CD1-CB 4.32Å; N748-D1005 WeakPolarHBondContact CB-OD1 3.39Å; N748-D1005 PolarHBondContact N-OD2 3.33Å; N748-D1005 PolarHBondContact ND2-OD1 3Å; F836-D1005 HydrophobicContact CD1-CB 4.48Å; F836-D1005 HydrophobicContact CD2-CB 4.04Å; F836-D1005 HydrophobicContact CE2-CB 4.09Å; F836-D1005 HydrophobicContact CG-CB 4.24Å; F836-D1005 HydrophobicContact CZ-CB 4.33Å; D1005-Q1007 PolarHBondContact O-N 3.33Å | ||
| 1006 | N | 91.8 | Very high | 90 | Very high | 20 Ų | 20 | 47 Ų | 47 | 11% | 0.107 | 25% | 0.247 | C | C | . | . | trans | -77.6 | 105.7 | 173.2 | -174.4 | -29.1 | 0 | 0 | 0 | 111.1 | S727 I1004 R1008 T1009 L1010 | S727-N1006 PolarHBondContact O-ND2 3.38Å; S727-N1006 PolarHBondContact OG-N 2.9Å; I1004-N1006 HydrophobicContact CG2-CB 4.34Å; N1006-R1008 VanDerWaalsContact C-N 3.32Å; N1006-R1008 PolarHBondContact O-N 2.89Å; N1006-R1008 WeakPolarHBondContact OD1-CB 3.26Å; N1006-R1008 PolarHBondContact OD1-N 3.44Å; N1006-T1009 VanDerWaalsContact CG-OG1 3.26Å; N1006-T1009 PolarHBondContact ND2-OG1 2.63Å; N1006-T1009 WeakPolarHBondContact O-CB 3.42Å; N1006-T1009 PolarHBondContact O-N 3.48Å; N1006-T1009 PolarHBondContact OD1-N 2.93Å; N1006-L1010 WeakPolarHBondContact O-CG 3.25Å; N1006-L1010 PolarHBondContact O-N 3.18Å; N1006-L1010 VanDerWaalsContact O-N 3.13Å | ||
| 1007 | Q | 89 | Confident | 90.5 | Very high | 43 Ų | 43 | 46.2 Ų | 46.2 | 20% | 0.201 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.3 | -38.6 | -179 | -175.4 | 62.9 | 9 | 0 | 0 | 114.6 | H883 D1005 L1010 T1011 | H883-Q1007 PolarHBondContact CE1-NE2 3.44Å; H883-Q1007 PolarHBondContact CE1-OE1 2.87Å; H883-Q1007 PolarHBondContact NE2-NE2 3.3Å; H883-Q1007 PolarHBondContact NE2-OE1 3.5Å; D1005-Q1007 PolarHBondContact O-N 3.33Å; Q1007-L1010 PolarHBondContact O-N 2.98Å; Q1007-T1011 WeakPolarHBondContact O-CB 3.48Å; Q1007-T1011 PolarHBondContact O-N 3.46Å; Q1007-T1011 PolarHBondContact O-OG1 2.92Å |
| 1008 | R | 88.1 | Confident | 90.8 | Very high | 181 Ų | 181 | 44.9 Ų | 44.9 | 68% | 0.683 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -66.2 | -44 | -178.8 | -66.4 | -179.5 | 178.4 | 171.6 | 0.2 | 109.8 | N1006 T1011 Q1012 | N1006-R1008 VanDerWaalsContact C-N 3.32Å; N1006-R1008 PolarHBondContact O-N 2.89Å; N1006-R1008 WeakPolarHBondContact OD1-CB 3.26Å; N1006-R1008 PolarHBondContact OD1-N 3.44Å; R1008-T1011 PolarHBondContact O-N 3.45Å; R1008-Q1012 VanDerWaalsContact O-CG 3.31Å; R1008-Q1012 WeakPolarHBondContact O-CG 3.46Å; R1008-Q1012 PolarHBondContact O-N 3.47Å |
| 1009 | T | 90.2 | Very high | 90.8 | Very high | 45 Ų | 45 | 49.3 Ų | 49.3 | 28% | 0.276 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.3 | -48.7 | 175.6 | -53.5 | 0 | 0 | 0 | 0 | 111.4 | I1004 N1006 T1011 Q1012 L1013 | I1004-T1009 HydrophobicContact CG2-CG2 4.26Å; N1006-T1009 VanDerWaalsContact CG-OG1 3.26Å; N1006-T1009 PolarHBondContact ND2-OG1 2.63Å; N1006-T1009 WeakPolarHBondContact O-CB 3.42Å; N1006-T1009 PolarHBondContact O-N 3.48Å; N1006-T1009 PolarHBondContact OD1-N 2.93Å; T1009-T1011 VanDerWaalsContact C-N 3.31Å; T1009-T1011 PolarHBondContact O-N 3.5Å; T1009-Q1012 PolarHBondContact O-N 3.19Å; T1009-L1013 HydrophobicContact CG2-CD1 4.28Å; T1009-L1013 WeakPolarHBondContact O-CG 3.41Å; T1009-L1013 PolarHBondContact O-N 3.14Å |
| 1010 | L | 91.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.4 | -40.5 | 178.2 | -66.4 | 169.7 | 0 | 0 | 0 | 112.4 | F836 I839 C843 A885 I1004 N1006 Q1007 L1013 S1014 | F836-L1010 HydrophobicContact CD1-CD1 3.82Å; F836-L1010 HydrophobicContact CE1-CD1 4Å; I839-L1010 HydrophobicContact CB-CD1 4.31Å; I839-L1010 HydrophobicContact CG2-CB 4.19Å; I839-L1010 HydrophobicContact CG2-CD1 3.67Å; I839-L1010 HydrophobicContact CG2-CD2 3.98Å; I839-L1010 HydrophobicContact CG2-CG 4.15Å; C843-L1010 HydrophobicContact CB-CD2 4.29Å; A885-L1010 HydrophobicContact CB-CB 4.34Å; I1004-L1010 HydrophobicContact CB-CD2 3.85Å; I1004-L1010 HydrophobicContact CB-CG 4.32Å; I1004-L1010 HydrophobicContact CD1-CD2 4.31Å; I1004-L1010 HydrophobicContact CG2-CD2 3.89Å; I1004-L1010 HydrophobicContact CG2-CG 3.91Å; I1004-L1010 WeakPolarHBondContact O-CD1 3.5Å; N1006-L1010 WeakPolarHBondContact O-CG 3.25Å; N1006-L1010 PolarHBondContact O-N 3.18Å; N1006-L1010 VanDerWaalsContact O-N 3.13Å; Q1007-L1010 PolarHBondContact O-N 2.98Å; L1010-L1013 PolarHBondContact O-N 3.12Å; L1010-S1014 WeakPolarHBondContact O-CB 3.31Å; L1010-S1014 PolarHBondContact O-N 2.89Å |
| 1011 | T | 90.4 | Very high | 88.8 | Confident | 45 Ų | 45 | 62.9 Ų | 62.9 | 28% | 0.276 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 177.3 | -58.4 | 0 | 0 | 0 | 0 | 110.9 | Q1007 R1008 T1009 L1013 S1014 H1015 | Q1007-T1011 WeakPolarHBondContact O-CB 3.48Å; Q1007-T1011 PolarHBondContact O-N 3.46Å; Q1007-T1011 PolarHBondContact O-OG1 2.92Å; R1008-T1011 PolarHBondContact O-N 3.45Å; T1009-T1011 VanDerWaalsContact C-N 3.31Å; T1009-T1011 PolarHBondContact O-N 3.5Å; T1011-L1013 PolarHBondContact O-N 3.08Å; T1011-S1014 WeakPolarHBondContact O-CB 3.05Å; T1011-S1014 PolarHBondContact O-N 3.32Å; T1011-H1015 PolarHBondContact O-CD2 3.13Å; T1011-H1015 VanDerWaalsContact O-CD2 3.23Å; T1011-H1015 PolarHBondContact O-N 3.11Å |
| 1012 | Q | 91.3 | Very high | 86.4 | Confident | 138 Ų | 138 | 71.2 Ų | 71.2 | 65% | 0.645 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -60.5 | -45 | 176.1 | -72.5 | 171.9 | -2.3 | 0 | 0 | 112.1 | R1008 T1009 S1014 H1015 G1016 | R1008-Q1012 VanDerWaalsContact O-CG 3.31Å; R1008-Q1012 WeakPolarHBondContact O-CG 3.46Å; R1008-Q1012 PolarHBondContact O-N 3.47Å; T1009-Q1012 PolarHBondContact O-N 3.19Å; Q1012-S1014 VanDerWaalsContact C-N 3.35Å; Q1012-S1014 PolarHBondContact O-N 3.25Å; Q1012-H1015 PolarHBondContact O-N 2.97Å; Q1012-G1016 PolarHBondContact O-N 3.29Å |
| 1013 | L | 93.8 | Very high | 86.4 | Confident | 58 Ų | 58 | 71.4 Ų | 71.4 | 30% | 0.304 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -57.7 | -47.6 | 174.9 | -71.4 | 171.8 | 0 | 0 | 0 | 111.1 | C843 L844 I1004 T1009 L1010 T1011 H1015 G1016 L1017 | C843-L1013 HydrophobicContact CB-CB 4.03Å; C843-L1013 HydrophobicContact CB-CD1 4.36Å; L844-L1013 HydrophobicContact CD2-CD1 3.94Å; I1004-L1013 HydrophobicContact CD1-CD1 4.06Å; T1009-L1013 HydrophobicContact CG2-CD1 4.28Å; T1009-L1013 WeakPolarHBondContact O-CG 3.41Å; T1009-L1013 PolarHBondContact O-N 3.14Å; L1010-L1013 PolarHBondContact O-N 3.12Å; T1011-L1013 PolarHBondContact O-N 3.08Å; L1013-H1015 PolarHBondContact O-N 3.16Å; L1013-G1016 WeakPolarHBondContact O-CA 3.43Å; L1013-G1016 PolarHBondContact O-N 2.76Å; L1013-G1016 VanDerWaalsContact O-N 3.1Å; L1013-L1017 WeakPolarHBondContact O-CG 3.38Å; L1013-L1017 PolarHBondContact O-N 2.65Å |
| 1014 | S | 95 | Very high | 86.1 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59.3 | -42.5 | 176.9 | 178.6 | 0 | 0 | 0 | 0 | 113.2 | A885 R888 L889 L1010 T1011 Q1012 G1016 L1017 E1018 | A885-S1014 WeakPolarHBondContact O-CB 3.42Å; A885-S1014 PolarHBondContact O-OG 3.17Å; R888-S1014 VanDerWaalsContact CD-OG 3.32Å; R888-S1014 WeakPolarHBondContact CD-OG 3.36Å; R888-S1014 WeakPolarHBondContact CG-OG 3.32Å; R888-S1014 PolarHBondContact NH1-O 3.38Å; R888-S1014 PolarHBondContact NH1-OG 3.41Å; L889-S1014 WeakPolarHBondContact CD2-OG 3.35Å; L1010-S1014 WeakPolarHBondContact O-CB 3.31Å; L1010-S1014 PolarHBondContact O-N 2.89Å; T1011-S1014 WeakPolarHBondContact O-CB 3.05Å; T1011-S1014 PolarHBondContact O-N 3.32Å; Q1012-S1014 VanDerWaalsContact C-N 3.35Å; Q1012-S1014 PolarHBondContact O-N 3.25Å; S1014-G1016 VanDerWaalsContact C-N 3.31Å; S1014-G1016 PolarHBondContact O-N 2.9Å; S1014-L1017 WeakPolarHBondContact O-CB 3.41Å; S1014-L1017 PolarHBondContact O-N 3.33Å; S1014-E1018 PolarHBondContact O-N 3.31Å |
| 1015 | H | 92.5 | Very high | 85.7 | Confident | 65 Ų | 65 | 79 Ų | 79 | 30% | 0.301 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.7 | -35.4 | 174.7 | -85.6 | -82.1 | 0 | 0 | 0 | 112.5 | T1011 Q1012 L1013 L1017 E1018 | T1011-H1015 PolarHBondContact O-CD2 3.13Å; T1011-H1015 VanDerWaalsContact O-CD2 3.23Å; T1011-H1015 PolarHBondContact O-N 3.11Å; Q1012-H1015 PolarHBondContact O-N 2.97Å; L1013-H1015 PolarHBondContact O-N 3.16Å; H1015-L1017 VanDerWaalsContact C-N 3.31Å; H1015-E1018 CarbonylContact O-C 3.6Å |
| 1016 | G | 92.9 | Very high | 85.4 | Confident | 65 Ų | 65 | 83.4 Ų | 83.4 | 67% | 0.67 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -66.1 | -30.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q1012 L1013 S1014 | Q1012-G1016 PolarHBondContact O-N 3.29Å; L1013-G1016 WeakPolarHBondContact O-CA 3.43Å; L1013-G1016 PolarHBondContact O-N 2.76Å; L1013-G1016 VanDerWaalsContact O-N 3.1Å; S1014-G1016 VanDerWaalsContact C-N 3.31Å; S1014-G1016 PolarHBondContact O-N 2.9Å |
| 1017 | L | 94.3 | Very high | 85 | Confident | 38 Ų | 38 | 87.3 Ų | 87.3 | 20% | 0.199 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -75.3 | -45.7 | 175.8 | -66.3 | 177.7 | 0 | 0 | 0 | 113 | C843 L889 L1013 S1014 H1015 | C843-L1017 WeakPolarHBondContact O-CD1 3.37Å; L889-L1017 HydrophobicContact CD2-CB 4.3Å; L1013-L1017 WeakPolarHBondContact O-CG 3.38Å; L1013-L1017 PolarHBondContact O-N 2.65Å; S1014-L1017 WeakPolarHBondContact O-CB 3.41Å; S1014-L1017 PolarHBondContact O-N 3.33Å; H1015-L1017 VanDerWaalsContact C-N 3.31Å |
| 1018 | E | 93.4 | Very high | 84.7 | Confident | 5 Ų | 5 | 90.3 Ų | 90.3 | 2% | 0.023 | 46% | 0.463 | C | S | . | . | S | Bend | trans | -139.7 | 90.8 | -177.7 | -65.8 | -175.6 | -153.6 | 0 | 0 | 110.6 | R851 R888 L889 S890 Q891 T892 S1014 H1015 | R851-E1018 IonicContact CZ-OE1 2.68Å; R851-E1018 IonicContact NE-OE1 3.34Å; R851-E1018 IonicContact NH2-OE1 3.26Å; R851-E1018 PolarHBondContact NH2-OE1 3.09Å; R888-E1018 VanDerWaalsContact CZ-O 3.23Å; R888-E1018 PolarHBondContact NH1-O 3.43Å; R888-E1018 PolarHBondContact NH2-O 2.99Å; L889-E1018 WeakPolarHBondContact CA-OE2 3.36Å; L889-E1018 HydrophobicContact CD2-CB 3.94Å; L889-E1018 HydrophobicContact CD2-CG 3.93Å; S890-E1018 PolarHBondContact N-OE2 3.01Å; Q891-E1018 WeakPolarHBondContact CB-OE2 3.38Å; Q891-E1018 PolarHBondContact N-OE2 3.23Å; T892-E1018 PolarHBondContact N-OE1 3.39Å; T892-E1018 PolarHBondContact OG1-OE1 2.75Å; S1014-E1018 PolarHBondContact O-N 3.31Å; H1015-E1018 CarbonylContact O-C 3.6Å |
| 1019 | P | 89.3 | Confident | 84.5 | Confident | 94 Ų | 94 | 83.8 Ų | 83.8 | 61% | 0.61 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 145.7 | 178.3 | -25 | 34.4 | 0 | 0 | 0 | 112.3 | R1021 | P1019-R1021 PolarHBondContact O-N 3.25Š|
| 1020 | R | 74.3 | Confident | 84 | Confident | 197 Ų | 197 | 86.8 Ų | 86.8 | 74% | 0.743 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 129.9 | 172.6 | -78.9 | -173.9 | 175.1 | 170.3 | 0.3 | 108.3 | S1022 | R1020-S1022 PolarHBondContact O-N 2.99Š|
| 1021 | R | 56.8 | Low | 83.4 | Confident | 232 Ų | 232 | 94 Ų | 94 | 88% | 0.875 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -64 | 121.3 | 168 | -71.1 | -177.3 | 179.7 | 174.5 | 2 | 107.2 | P1019 | P1019-R1021 PolarHBondContact O-N 3.25Š|
| 1022 | S | 36.8 | Very low | 82.8 | Confident | 191 Ų | 191 | 98.5 Ų | 98.5 | 100% | 1.336 | 52% | 0.519 | S | S | * | . | trans | -63.4 | 0 | 175.4 | 55.4 | 0 | 0 | 0 | 0 | 112 | R1020 | R1020-S1022 PolarHBondContact O-N 2.99Š|
Retrieved 1,022 of 1,022 residues in 1196.2 ms
(Link to these results)