| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.7 | Very low | 43.9 | Very low | 250 Ų | 250 | 140.4 Ų | 140.4 | 100% | 1.232 | 76% | 0.762 | S | S | * | * | 0 | 93 | 0 | -76 | 178.6 | 179.6 | 0 | 0 | 108.2 | |||||
| 2 | G | 37.6 | Very low | 45.3 | Very low | 70 Ų | 70 | 142.5 Ų | 142.5 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | trans | -117.4 | 113.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | T4 | G2-T4 PolarHBondContact O-N 3.21Å; G2-T4 VanDerWaalsContact O-N 3.13Å | ||
| 3 | F | 39.5 | Very low | 46.5 | Very low | 206 Ų | 206 | 139.5 Ų | 139.5 | 90% | 0.904 | 74% | 0.737 | S | S | * | * | trans | -68.7 | 103.1 | 176.9 | -96.2 | -97 | 0 | 0 | 0 | 109.3 | V5 | F3-V5 PolarHBondContact O-N 3.44Š| ||
| 4 | T | 35 | Very low | 47.8 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 73% | 0.73 | 72% | 0.717 | S | S | * | * | trans | -81 | 106.6 | 167.2 | 32.7 | 0 | 0 | 0 | 0 | 109.6 | G2 | G2-T4 PolarHBondContact O-N 3.21Å; G2-T4 VanDerWaalsContact O-N 3.13Å | ||
| 5 | V | 42.6 | Very low | 49 | Very low | 85 Ų | 85 | 131.3 Ų | 131.3 | 52% | 0.515 | 69% | 0.694 | S | S | . | * | trans | -77.4 | 122 | 174.2 | -178.1 | 0 | 0 | 0 | 0 | 108.8 | F3 I7 V8 | F3-V5 PolarHBondContact O-N 3.44Å; V5-I7 PolarHBondContact O-N 2.69Å; V5-V8 HydrophobicContact CG1-CG2 4.44Å; V5-V8 PolarHBondContact O-N 3.15Å | ||
| 6 | P | 45.7 | Very low | 50.1 | Low | 119 Ų | 119 | 129.1 Ų | 129.1 | 77% | 0.773 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -7.1 | -169 | -20.2 | 30.9 | 0 | 0 | 0 | 116.3 | ||
| 7 | I | 50.9 | Low | 51 | Low | 154 Ų | 154 | 124.6 Ų | 124.6 | 79% | 0.79 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | -19.4 | -173.2 | -71.2 | 170.2 | 0 | 0 | 0 | 112.5 | V5 | V5-I7 PolarHBondContact O-N 2.69Š|
| 8 | V | 48.7 | Very low | 52.1 | Low | 120 Ų | 120 | 122.2 Ų | 122.2 | 73% | 0.727 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | -8.8 | -171.4 | -173.2 | 0 | 0 | 0 | 0 | 112.7 | V5 | V5-V8 HydrophobicContact CG1-CG2 4.44Å; V5-V8 PolarHBondContact O-N 3.15Å |
| 9 | N | 43.3 | Very low | 52.9 | Low | 136 Ų | 136 | 120.1 Ų | 120.1 | 73% | 0.727 | 63% | 0.631 | S | S | * | * | trans | -124.4 | 38.3 | -175.9 | -114.3 | 15.4 | 0 | 0 | 0 | 112.9 | D11 | N9-D11 PolarHBondContact O-N 3.27Š| ||
| 10 | R | 49.2 | Very low | 53.7 | Low | 169 Ų | 169 | 118.6 Ų | 118.6 | 64% | 0.638 | 62% | 0.621 | S | S | * | * | trans | -73.8 | 115.2 | 159.5 | -101.3 | -172.8 | 173.1 | 172.2 | -1.4 | 107 | Y12 | R10-Y12 PolarHBondContact O-N 3.41Š| ||
| 11 | D | 54.3 | Low | 54.4 | Low | 116 Ų | 116 | 121.5 Ų | 121.5 | 62% | 0.62 | 62% | 0.624 | S | S | * | * | trans | -47.9 | 116 | 176.4 | -128.7 | -21.1 | 0 | 0 | 0 | 108 | N9 D13 D14 L15 | N9-D11 PolarHBondContact O-N 3.27Å; D11-D13 PolarHBondContact O-N 3.19Å; D11-D14 HydrophobicContact CB-CB 3.89Å; D11-D14 PolarHBondContact O-N 3.04Å; D11-L15 PolarHBondContact O-N 3.49Å | ||
| 12 | Y | 60.6 | Low | 55.7 | Low | 166 Ų | 166 | 115 Ų | 115 | 65% | 0.651 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -51.9 | -34.1 | -178.5 | 168.8 | -95.4 | 0 | 0 | 0 | 110.2 | R10 K16 | R10-Y12 PolarHBondContact O-N 3.41Å; Y12-K16 HydrophobicContact CE1-CD 3.88Å; Y12-K16 WeakPolarHBondContact O-CB 3.3Å; Y12-K16 PolarHBondContact O-N 3.19Å |
| 13 | D | 61 | Low | 57 | Low | 103 Ų | 103 | 112.7 Ų | 112.7 | 55% | 0.551 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -72.3 | -31.4 | 176.7 | -68.1 | -36.1 | 0 | 0 | 0 | 113.8 | D11 S17 | D11-D13 PolarHBondContact O-N 3.19Å; D13-S17 WeakPolarHBondContact O-CB 3.22Å; D13-S17 PolarHBondContact O-N 3.32Å; D13-S17 PolarHBondContact O-OG 3.25Å |
| 14 | D | 64.9 | Low | 58.1 | Low | 85 Ų | 85 | 109.6 Ų | 109.6 | 46% | 0.455 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -75.9 | -38.7 | 175.4 | -163.4 | 49.2 | 0 | 0 | 0 | 111.3 | D11 S17 Q18 | D11-D14 HydrophobicContact CB-CB 3.89Å; D11-D14 PolarHBondContact O-N 3.04Å; D14-S17 WeakPolarHBondContact CA-OG 3.38Å; D14-S17 PolarHBondContact O-OG 3.17Å; D14-S17 VanDerWaalsContact O-OG 3.05Å; D14-Q18 WeakPolarHBondContact O-CB 3.35Å; D14-Q18 VanDerWaalsContact O-CG 3.24Å; D14-Q18 WeakPolarHBondContact O-CG 3.44Å; D14-Q18 PolarHBondContact O-N 2.82Å; D14-Q18 PolarHBondContact OD2-NE2 3.07Å |
| 15 | L | 65.6 | Low | 59.6 | Low | 71 Ų | 71 | 108.5 Ų | 108.5 | 37% | 0.372 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67 | -43.2 | 172 | -167 | 76.6 | 0 | 0 | 0 | 111.2 | D11 Q18 I19 | D11-L15 PolarHBondContact O-N 3.49Å; L15-Q18 PolarHBondContact O-N 2.97Å; L15-I19 HydrophobicContact CD2-CD1 4.37Å; L15-I19 HydrophobicContact CG-CD1 3.97Å; L15-I19 WeakPolarHBondContact O-CB 3.47Å; L15-I19 VanDerWaalsContact O-CG1 3.22Å; L15-I19 WeakPolarHBondContact O-CG1 3.46Å; L15-I19 PolarHBondContact O-N 3.06Å |
| 16 | K | 66.1 | Low | 60.6 | Low | 96 Ų | 96 | 110 Ų | 110 | 42% | 0.417 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 177.7 | -178.4 | 178.6 | 176.7 | -175.7 | 0 | 111.8 | Y12 I19 Q20 | Y12-K16 HydrophobicContact CE1-CD 3.88Å; Y12-K16 WeakPolarHBondContact O-CB 3.3Å; Y12-K16 PolarHBondContact O-N 3.19Å; K16-I19 PolarHBondContact O-N 2.94Å; K16-Q20 WeakPolarHBondContact O-CB 3.46Å; K16-Q20 WeakPolarHBondContact O-CG 3.43Å; K16-Q20 PolarHBondContact O-N 3.48Å |
| 17 | S | 65.8 | Low | 61.7 | Low | 54 Ų | 54 | 112.2 Ų | 112.2 | 38% | 0.378 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70.9 | -38.2 | 177.1 | 60.6 | 0 | 0 | 0 | 0 | 112.4 | D13 D14 Q20 R21 | D13-S17 WeakPolarHBondContact O-CB 3.22Å; D13-S17 PolarHBondContact O-N 3.32Å; D13-S17 PolarHBondContact O-OG 3.25Å; D14-S17 WeakPolarHBondContact CA-OG 3.38Å; D14-S17 PolarHBondContact O-OG 3.17Å; D14-S17 VanDerWaalsContact O-OG 3.05Å; S17-Q20 PolarHBondContact O-N 2.92Å; S17-R21 VanDerWaalsContact O-CB 3.29Å; S17-R21 WeakPolarHBondContact O-CB 3.33Å; S17-R21 PolarHBondContact O-N 2.98Å |
| 18 | Q | 69.6 | Low | 62.7 | Low | 81 Ų | 81 | 109.8 Ų | 109.8 | 38% | 0.379 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 172.2 | -76.1 | -178.7 | 36.7 | 0 | 0 | 112.4 | D14 L15 K22 | D14-Q18 WeakPolarHBondContact O-CB 3.35Å; D14-Q18 VanDerWaalsContact O-CG 3.24Å; D14-Q18 WeakPolarHBondContact O-CG 3.44Å; D14-Q18 PolarHBondContact O-N 2.82Å; D14-Q18 PolarHBondContact OD2-NE2 3.07Å; L15-Q18 PolarHBondContact O-N 2.97Å; Q18-K22 PolarHBondContact O-N 3.47Å |
| 19 | I | 68.6 | Low | 63.7 | Low | 81 Ų | 81 | 106 Ų | 106 | 42% | 0.415 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.2 | -47 | 175 | -70.9 | 169.4 | 0 | 0 | 0 | 110.2 | L15 K16 R21 K22 I23 | L15-I19 HydrophobicContact CD2-CD1 4.37Å; L15-I19 HydrophobicContact CG-CD1 3.97Å; L15-I19 WeakPolarHBondContact O-CB 3.47Å; L15-I19 VanDerWaalsContact O-CG1 3.22Å; L15-I19 WeakPolarHBondContact O-CG1 3.46Å; L15-I19 PolarHBondContact O-N 3.06Å; K16-I19 PolarHBondContact O-N 2.94Å; I19-R21 VanDerWaalsContact C-N 3.34Å; I19-R21 PolarHBondContact O-N 3.35Å; I19-K22 PolarHBondContact O-N 3.39Å; I19-I23 HydrophobicContact CG2-CD1 3.55Å; I19-I23 HydrophobicContact CG2-CG1 4.28Å; I19-I23 WeakPolarHBondContact O-CB 3.5Å; I19-I23 VanDerWaalsContact O-CG1 3.25Å; I19-I23 WeakPolarHBondContact O-CG1 3.46Å; I19-I23 PolarHBondContact O-N 3.39Å |
| 20 | Q | 68.6 | Low | 65 | Low | 91 Ų | 91 | 101.5 Ų | 101.5 | 43% | 0.425 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60 | -41.6 | 175.8 | -84.8 | -177.6 | -44.2 | 0 | 0 | 112.2 | K16 S17 K22 I23 Q24 | K16-Q20 WeakPolarHBondContact O-CB 3.46Å; K16-Q20 WeakPolarHBondContact O-CG 3.43Å; K16-Q20 PolarHBondContact O-N 3.48Å; S17-Q20 PolarHBondContact O-N 2.92Å; Q20-K22 PolarHBondContact O-N 3.26Å; Q20-I23 PolarHBondContact O-N 3.45Å; Q20-Q24 WeakPolarHBondContact O-CG 3.07Å; Q20-Q24 PolarHBondContact O-N 2.79Å |
| 21 | R | 67.3 | Low | 66.4 | Low | 180 Ų | 180 | 101.1 Ų | 101.1 | 68% | 0.679 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -65.3 | -40.7 | 179 | -155.1 | 178.7 | 81.3 | -171.6 | 5.3 | 111.7 | S17 I19 Q24 | S17-R21 VanDerWaalsContact O-CB 3.29Å; S17-R21 WeakPolarHBondContact O-CB 3.33Å; S17-R21 PolarHBondContact O-N 2.98Å; I19-R21 VanDerWaalsContact C-N 3.34Å; I19-R21 PolarHBondContact O-N 3.35Å; R21-Q24 PolarHBondContact O-N 2.87Å |
| 22 | K | 66 | Low | 67.5 | Low | 113 Ų | 113 | 96.8 Ų | 96.8 | 49% | 0.491 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -68 | -37 | 172.9 | -81.7 | -174.1 | 175.3 | 178.7 | 0 | 112.8 | Q18 I19 Q20 Q24 E25 W28 | Q18-K22 PolarHBondContact O-N 3.47Å; I19-K22 PolarHBondContact O-N 3.39Å; Q20-K22 PolarHBondContact O-N 3.26Å; K22-Q24 PolarHBondContact O-N 3.08Å; K22-E25 PolarHBondContact O-N 3.14Å; K22-W28 WeakPolarHBondContact O-CB 3.38Å |
| 23 | I | 63.7 | Low | 68.1 | Low | 21 Ų | 21 | 89.2 Ų | 89.2 | 11% | 0.108 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -67.7 | -25.4 | 176.5 | -72 | 171.1 | 0 | 0 | 0 | 111.6 | I19 Q20 Q29 | I19-I23 HydrophobicContact CG2-CD1 3.55Å; I19-I23 HydrophobicContact CG2-CG1 4.28Å; I19-I23 WeakPolarHBondContact O-CB 3.5Å; I19-I23 VanDerWaalsContact O-CG1 3.25Å; I19-I23 WeakPolarHBondContact O-CG1 3.46Å; I19-I23 PolarHBondContact O-N 3.39Å; Q20-I23 PolarHBondContact O-N 3.45Å; I23-Q29 WeakPolarHBondContact O-CG 3.14Å; I23-Q29 PolarHBondContact O-NE2 2.8Å |
| 24 | Q | 62.4 | Low | 69 | Low | 142 Ų | 142 | 85.5 Ų | 85.5 | 66% | 0.664 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -80 | -15 | 174.1 | -73.6 | -168.8 | -7.6 | 0 | 0 | 114.1 | Q20 R21 K22 E26 | Q20-Q24 WeakPolarHBondContact O-CG 3.07Å; Q20-Q24 PolarHBondContact O-N 2.79Å; R21-Q24 PolarHBondContact O-N 2.87Å; K22-Q24 PolarHBondContact O-N 3.08Å; Q24-E26 PolarHBondContact O-N 3.38Å |
| 25 | E | 66.8 | Low | 69.9 | Low | 96 Ų | 96 | 85.4 Ų | 85.4 | 45% | 0.449 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -71.7 | 121.5 | 175.1 | -72.3 | 176.7 | -172.1 | 0 | 0 | 110.8 | K22 K27 W28 Q29 | K22-E25 PolarHBondContact O-N 3.14Å; E25-K27 VanDerWaalsContact C-N 3.26Å; E25-K27 PolarHBondContact O-N 2.74Å; E25-K27 VanDerWaalsContact O-N 3.15Å; E25-W28 HydrophobicContact CB-CB 4.28Å; E25-W28 WeakPolarHBondContact O-CA 3.39Å; E25-W28 WeakPolarHBondContact O-CB 3.48Å; E25-W28 PolarHBondContact O-N 3.09Å; E25-Q29 PolarHBondContact O-N 3.2Å |
| 26 | E | 63.4 | Low | 70.6 | Confident | 115 Ų | 115 | 82.1 Ų | 82.1 | 54% | 0.537 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -55.3 | -38 | -175.2 | -163.8 | -167.1 | 157.7 | 0 | 0 | 113.2 | Q24 W28 Q29 K30 | Q24-E26 PolarHBondContact O-N 3.38Å; E26-W28 VanDerWaalsContact C-N 3.34Å; E26-W28 PolarHBondContact O-N 2.98Å; E26-Q29 PolarHBondContact O-N 3.01Å; E26-K30 WeakPolarHBondContact O-CG 3.38Å; E26-K30 PolarHBondContact O-N 2.91Å; E26-K30 IonicContact OE1-NZ 2.85Å |
| 27 | K | 68.6 | Low | 71.1 | Confident | 166 Ų | 166 | 77.6 Ų | 77.6 | 72% | 0.722 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.9 | -38.8 | 175.2 | -87.3 | -178.2 | 176.9 | 172.7 | 0 | 112.7 | E25 R31 | E25-K27 VanDerWaalsContact C-N 3.26Å; E25-K27 PolarHBondContact O-N 2.74Å; E25-K27 VanDerWaalsContact O-N 3.15Å; K27-R31 WeakPolarHBondContact O-CG 3.4Å; K27-R31 PolarHBondContact O-N 3.49Å |
| 28 | W | 71.9 | Confident | 71.9 | Confident | 103 Ų | 103 | 75.1 Ų | 75.1 | 39% | 0.39 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -72.5 | -41.2 | 178 | -111 | 100.8 | 0 | 0 | 0 | 110.7 | K22 E25 E26 K30 R31 L32 | K22-W28 WeakPolarHBondContact O-CB 3.38Å; E25-W28 HydrophobicContact CB-CB 4.28Å; E25-W28 WeakPolarHBondContact O-CA 3.39Å; E25-W28 WeakPolarHBondContact O-CB 3.48Å; E25-W28 PolarHBondContact O-N 3.09Å; E26-W28 VanDerWaalsContact C-N 3.34Å; E26-W28 PolarHBondContact O-N 2.98Å; W28-K30 PolarHBondContact O-N 3.27Å; W28-R31 PolarHBondContact O-N 3.23Å; W28-L32 HydrophobicContact CE3-CD1 4.04Å; W28-L32 HydrophobicContact CZ3-CD1 4.1Å; W28-L32 WeakPolarHBondContact O-CB 3.32Å; W28-L32 PolarHBondContact O-N 3.5Å |
| 29 | Q | 70.5 | Confident | 72.5 | Confident | 42 Ų | 42 | 72.7 Ų | 72.7 | 20% | 0.196 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.7 | -48.8 | 173.8 | -69.5 | -166.9 | -13.6 | 0 | 0 | 112.3 | I23 E25 E26 R31 L32 V33 | I23-Q29 WeakPolarHBondContact O-CG 3.14Å; I23-Q29 PolarHBondContact O-NE2 2.8Å; E25-Q29 PolarHBondContact O-N 3.2Å; E26-Q29 PolarHBondContact O-N 3.01Å; Q29-R31 VanDerWaalsContact C-N 3.3Å; Q29-R31 PolarHBondContact O-N 3.13Å; Q29-L32 PolarHBondContact O-N 3.31Å; Q29-V33 WeakPolarHBondContact O-CB 3.07Å; Q29-V33 VanDerWaalsContact O-CG2 3.27Å; Q29-V33 WeakPolarHBondContact O-CG2 3.42Å; Q29-V33 PolarHBondContact O-N 3.01Å |
| 30 | K | 69.5 | Low | 73 | Confident | 41 Ų | 41 | 68.9 Ų | 68.9 | 18% | 0.178 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.8 | -43.4 | 177.6 | -78.5 | -178.1 | 175.9 | -175.9 | 0 | 112 | E26 W28 L34 R173 F174 E179 | E26-K30 WeakPolarHBondContact O-CG 3.38Å; E26-K30 PolarHBondContact O-N 2.91Å; E26-K30 IonicContact OE1-NZ 2.85Å; W28-K30 PolarHBondContact O-N 3.27Å; K30-L34 PolarHBondContact O-N 3.31Å; K30-R173 HydrophobicContact CG-CG 4.4Å; K30-F174 HydrophobicContact CB-CE1 3.82Å; K30-F174 HydrophobicContact CB-CZ 3.73Å; K30-F174 HydrophobicContact CD-CD1 4.33Å; K30-F174 HydrophobicContact CD-CE1 3.9Å; K30-F174 HydrophobicContact CG-CE1 4.03Å; K30-F174 HydrophobicContact CG-CZ 4.19Å; K30-F174 WeakPolarHBondContact O-CZ 3.41Å; K30-E179 IonicContact NZ-OE2 3.48Å |
| 31 | R | 78.9 | Confident | 73.4 | Confident | 161 Ų | 161 | 65 Ų | 65 | 61% | 0.608 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -67.3 | -42 | 177.2 | -72.8 | 176.7 | -179.5 | -177.9 | -0 | 112.6 | K27 W28 Q29 L34 I35 | K27-R31 WeakPolarHBondContact O-CG 3.4Å; K27-R31 PolarHBondContact O-N 3.49Å; W28-R31 PolarHBondContact O-N 3.23Å; Q29-R31 VanDerWaalsContact C-N 3.3Å; Q29-R31 PolarHBondContact O-N 3.13Å; R31-L34 PolarHBondContact O-N 3.47Å; R31-I35 WeakPolarHBondContact O-CG1 3.22Å; R31-I35 PolarHBondContact O-N 2.87Å |
| 32 | L | 77.2 | Confident | 74.2 | Confident | 25 Ų | 25 | 57.8 Ų | 57.8 | 13% | 0.131 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.8 | -39.5 | -178.4 | -146 | 152.1 | 0 | 0 | 0 | 110.5 | W28 Q29 L34 I35 I36 M228 L232 | W28-L32 HydrophobicContact CE3-CD1 4.04Å; W28-L32 HydrophobicContact CZ3-CD1 4.1Å; W28-L32 WeakPolarHBondContact O-CB 3.32Å; W28-L32 PolarHBondContact O-N 3.5Å; Q29-L32 PolarHBondContact O-N 3.31Å; L32-L34 PolarHBondContact O-N 3.4Å; L32-I35 PolarHBondContact O-N 3.49Å; L32-I36 HydrophobicContact CD2-CD1 3.6Å; L32-I36 HydrophobicContact CD2-CG1 4.14Å; L32-I36 VanDerWaalsContact O-CG1 3.31Å; L32-I36 WeakPolarHBondContact O-CG1 3.19Å; L32-I36 PolarHBondContact O-N 2.95Å; L32-M228 HydrophobicContact CD2-CE 4.24Å; L32-L232 HydrophobicContact CB-CD1 3.72Å; L32-L232 HydrophobicContact CD2-CD1 3.55Å; L32-L232 HydrophobicContact CG-CD1 4.12Å |
| 33 | V | 74.8 | Confident | 74.9 | Confident | 6 Ų | 6 | 52.5 Ų | 52.5 | 4% | 0.036 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.9 | -46.8 | 169.5 | 168.4 | 0 | 0 | 0 | 0 | 111.4 | Q29 I35 I36 V37 M169 L232 | Q29-V33 WeakPolarHBondContact O-CB 3.07Å; Q29-V33 VanDerWaalsContact O-CG2 3.27Å; Q29-V33 WeakPolarHBondContact O-CG2 3.42Å; Q29-V33 PolarHBondContact O-N 3.01Å; V33-I35 VanDerWaalsContact C-N 3.34Å; V33-I35 PolarHBondContact O-N 3.07Å; V33-I36 PolarHBondContact O-N 3.19Å; V33-V37 HydrophobicContact CG1-CG2 4.44Å; V33-V37 WeakPolarHBondContact O-CG2 3.49Å; V33-V37 PolarHBondContact O-N 3.38Å; V33-M169 HydrophobicContact CG1-CE 3.98Å; V33-L232 HydrophobicContact CG2-CD1 4Å; V33-L232 HydrophobicContact CG2-CD2 3.66Å |
| 34 | L | 79.2 | Confident | 75.5 | Confident | 26 Ų | 26 | 52.2 Ų | 52.2 | 14% | 0.136 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.4 | -43.7 | 177.6 | -177.2 | 63.3 | 0 | 0 | 0 | 111.6 | K30 R31 L32 V37 S38 I170 I186 | K30-L34 PolarHBondContact O-N 3.31Å; R31-L34 PolarHBondContact O-N 3.47Å; L32-L34 PolarHBondContact O-N 3.4Å; L34-V37 PolarHBondContact O-N 3.1Å; L34-S38 WeakPolarHBondContact O-CB 3.46Å; L34-S38 PolarHBondContact O-N 3.26Å; L34-S38 PolarHBondContact O-OG 2.8Å; L34-I170 HydrophobicContact CD1-CD1 4.1Å; L34-I186 HydrophobicContact CD2-CD1 3.99Å; L34-I186 HydrophobicContact CD2-CG2 4.31Å |
| 35 | I | 83.5 | Confident | 76.2 | Confident | 83 Ų | 83 | 47 Ų | 47 | 43% | 0.426 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.5 | -47.7 | 178 | -69.3 | 165.4 | 0 | 0 | 0 | 111.3 | R31 L32 V33 S38 T39 M228 | R31-I35 WeakPolarHBondContact O-CG1 3.22Å; R31-I35 PolarHBondContact O-N 2.87Å; L32-I35 PolarHBondContact O-N 3.49Å; V33-I35 VanDerWaalsContact C-N 3.34Å; V33-I35 PolarHBondContact O-N 3.07Å; I35-S38 PolarHBondContact O-N 3.34Å; I35-T39 WeakPolarHBondContact O-CB 3.37Å; I35-T39 PolarHBondContact O-N 2.8Å; I35-T39 PolarHBondContact O-OG1 2.82Å; I35-M228 HydrophobicContact CG2-CE 4.12Å |
| 36 | I | 79.8 | Confident | 77 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.8 | -54.9 | 178.4 | -73.1 | 168.1 | 0 | 0 | 0 | 109.8 | L32 V33 S38 T39 A40 M132 D225 M228 V229 L232 | L32-I36 HydrophobicContact CD2-CD1 3.6Å; L32-I36 HydrophobicContact CD2-CG1 4.14Å; L32-I36 VanDerWaalsContact O-CG1 3.31Å; L32-I36 WeakPolarHBondContact O-CG1 3.19Å; L32-I36 PolarHBondContact O-N 2.95Å; V33-I36 PolarHBondContact O-N 3.19Å; I36-S38 VanDerWaalsContact C-N 3.35Å; I36-S38 PolarHBondContact O-N 3.26Å; I36-T39 PolarHBondContact O-N 3.46Å; I36-T39 VanDerWaalsContact O-N 3.09Å; I36-A40 PolarHBondContact O-N 2.9Å; I36-M132 HydrophobicContact CG2-CE 4.36Å; I36-M132 HydrophobicContact CG2-SD 3.97Å; I36-D225 WeakPolarHBondContact CA-OD1 3.38Å; I36-M228 HydrophobicContact CD1-CB 4.11Å; I36-M228 HydrophobicContact CG1-CB 3.88Å; I36-V229 HydrophobicContact CD1-CG2 4.16Å; I36-V229 HydrophobicContact CG1-CG2 4.47Å; I36-V229 HydrophobicContact CG2-CG2 3.41Å; I36-V229 VanDerWaalsContact CG2-CG2 3.41Å; I36-L232 HydrophobicContact CD1-CB 4.33Å; I36-L232 HydrophobicContact CD1-CD1 4.24Å |
| 37 | V | 76.6 | Confident | 77.7 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.8 | -41.3 | -175.8 | 178.6 | 0 | 0 | 0 | 0 | 111.4 | V33 L34 T39 A40 L41 G166 M169 I170 | V33-V37 HydrophobicContact CG1-CG2 4.44Å; V33-V37 WeakPolarHBondContact O-CG2 3.49Å; V33-V37 PolarHBondContact O-N 3.38Å; L34-V37 PolarHBondContact O-N 3.1Å; V37-T39 VanDerWaalsContact C-N 3.27Å; V37-T39 PolarHBondContact O-N 2.52Å; V37-A40 PolarHBondContact O-N 3.36Å; V37-L41 HydrophobicContact CG1-CD1 3.72Å; V37-L41 HydrophobicContact CG1-CG 4.12Å; V37-L41 WeakPolarHBondContact O-CB 3.18Å; V37-L41 VanDerWaalsContact O-CG 3.26Å; V37-L41 WeakPolarHBondContact O-CG 3.38Å; V37-L41 PolarHBondContact O-N 3.23Å; V37-G166 VanDerWaalsContact CG1-O 3.28Å; V37-G166 WeakPolarHBondContact CG1-O 3.43Å; V37-M169 HydrophobicContact CG2-CE 3.16Å; V37-I170 HydrophobicContact CB-CD1 3.76Å; V37-I170 HydrophobicContact CB-CG1 3.88Å; V37-I170 HydrophobicContact CG1-CD1 3.34Å; V37-I170 HydrophobicContact CG1-CG1 3.69Å; V37-I170 HydrophobicContact CG2-CD1 4.48Å; V37-I170 HydrophobicContact CG2-CG1 4.05Å |
| 38 | S | 82.5 | Confident | 77.9 | Confident | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.5 | -37.2 | 175.1 | -70.9 | 0 | 0 | 0 | 0 | 112.1 | L34 I35 I36 L42 F190 | L34-S38 WeakPolarHBondContact O-CB 3.46Å; L34-S38 PolarHBondContact O-N 3.26Å; L34-S38 PolarHBondContact O-OG 2.8Å; I35-S38 PolarHBondContact O-N 3.34Å; I36-S38 VanDerWaalsContact C-N 3.35Å; I36-S38 PolarHBondContact O-N 3.26Å; S38-L42 VanDerWaalsContact O-CB 3.26Å; S38-L42 WeakPolarHBondContact O-CB 3.38Å; S38-L42 PolarHBondContact O-N 2.99Å; S38-F190 WeakPolarHBondContact O-CB 3.38Å; S38-F190 WeakPolarHBondContact O-CD1 3.36Å |
| 39 | T | 82.6 | Confident | 78.2 | Confident | 29 Ų | 29 | 26.2 Ų | 26.2 | 18% | 0.178 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -70.9 | -45.4 | 177.6 | -54.8 | 0 | 0 | 0 | 0 | 111.4 | I35 I36 V37 L41 L42 L43 V221 D225 | I35-T39 WeakPolarHBondContact O-CB 3.37Å; I35-T39 PolarHBondContact O-N 2.8Å; I35-T39 PolarHBondContact O-OG1 2.82Å; I36-T39 PolarHBondContact O-N 3.46Å; I36-T39 VanDerWaalsContact O-N 3.09Å; V37-T39 VanDerWaalsContact C-N 3.27Å; V37-T39 PolarHBondContact O-N 2.52Å; T39-L41 PolarHBondContact O-N 3.47Å; T39-L42 WeakPolarHBondContact O-CB 3.21Å; T39-L42 PolarHBondContact O-N 2.87Å; T39-L43 HydrophobicContact CG2-CD1 4.23Å; T39-L43 VanDerWaalsContact O-CG 3.32Å; T39-L43 WeakPolarHBondContact O-CG 3.46Å; T39-L43 PolarHBondContact O-N 2.87Å; T39-V221 HydrophobicContact CG2-CG1 4.38Å; T39-D225 HydrophobicContact CG2-CB 4.07Å |
| 40 | A | 78.6 | Confident | 78.6 | Confident | 2 Ų | 2 | 24.2 Ų | 24.2 | 2% | 0.017 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.8 | -45.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I36 V37 L43 D44 L136 T164 D225 | I36-A40 PolarHBondContact O-N 2.9Å; V37-A40 PolarHBondContact O-N 3.36Å; A40-L43 PolarHBondContact O-N 2.9Å; A40-D44 PolarHBondContact O-N 3.44Å; A40-L136 HydrophobicContact CB-CD2 4.35Å; A40-T164 HydrophobicContact CB-CG2 4.28Å; A40-D225 PolarHBondContact N-OD2 3.34Å |
| 41 | L | 76.8 | Confident | 79.1 | Confident | 10 Ų | 10 | 22.3 Ų | 22.3 | 5% | 0.052 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -67 | -37.2 | 178.2 | -71.2 | 173 | 0 | 0 | 0 | 112.5 | V37 T39 N45 L167 A187 I191 | V37-L41 HydrophobicContact CG1-CD1 3.72Å; V37-L41 HydrophobicContact CG1-CG 4.12Å; V37-L41 WeakPolarHBondContact O-CB 3.18Å; V37-L41 VanDerWaalsContact O-CG 3.26Å; V37-L41 WeakPolarHBondContact O-CG 3.38Å; V37-L41 PolarHBondContact O-N 3.23Å; T39-L41 PolarHBondContact O-N 3.47Å; L41-N45 PolarHBondContact O-N 3.41Å; L41-N45 PolarHBondContact O-ND2 3.4Å; L41-L167 HydrophobicContact CD1-CD2 3.97Å; L41-L167 HydrophobicContact CD1-CG 4.11Å; L41-L167 HydrophobicContact CD2-CG 4.18Å; L41-A187 HydrophobicContact CD1-CB 3.94Å; L41-I191 HydrophobicContact CB-CD1 4.4Å; L41-I191 HydrophobicContact CB-CG1 3.79Å; L41-I191 HydrophobicContact CD1-CD1 4.09Å; L41-I191 HydrophobicContact CD1-CG1 4.29Å; L41-I191 HydrophobicContact CD2-CD1 4.24Å; L41-I191 HydrophobicContact CD2-CG1 4.43Å; L41-I191 HydrophobicContact CG-CD1 4.48Å; L41-I191 HydrophobicContact CG-CG1 4.39Å |
| 42 | L | 84 | Confident | 78.8 | Confident | 27 Ų | 27 | 16.8 Ų | 16.8 | 14% | 0.141 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.8 | -49.9 | 172.2 | 172.7 | 70.3 | 0 | 0 | 0 | 111 | S38 T39 D44 N45 M46 F190 F193 G194 | S38-L42 VanDerWaalsContact O-CB 3.26Å; S38-L42 WeakPolarHBondContact O-CB 3.38Å; S38-L42 PolarHBondContact O-N 2.99Å; T39-L42 WeakPolarHBondContact O-CB 3.21Å; T39-L42 PolarHBondContact O-N 2.87Å; L42-D44 VanDerWaalsContact C-N 3.33Å; L42-D44 PolarHBondContact O-N 3.47Å; L42-N45 PolarHBondContact O-N 2.64Å; L42-M46 HydrophobicContact CD1-CG 4.22Å; L42-M46 HydrophobicContact CD1-SD 4.42Å; L42-M46 HydrophobicContact CG-CG 4.41Å; L42-M46 HydrophobicContact CG-SD 4.4Å; L42-M46 WeakPolarHBondContact O-CB 3.16Å; L42-M46 WeakPolarHBondContact O-CG 3.45Å; L42-M46 PolarHBondContact O-N 2.71Å; L42-F190 HydrophobicContact CB-CB 4.28Å; L42-F190 HydrophobicContact CB-CD1 4.04Å; L42-F190 VanDerWaalsContact CD1-O 3.27Å; L42-F190 WeakPolarHBondContact CD1-O 3.25Å; L42-F190 HydrophobicContact CD2-CD1 4.17Å; L42-F193 HydrophobicContact CD1-CB 4.32Å; L42-F193 HydrophobicContact CD1-CD1 3.6Å; L42-F193 HydrophobicContact CD1-CE1 4.44Å; L42-F193 HydrophobicContact CD1-CG 4.42Å; L42-G194 VanDerWaalsContact CD1-CA 3.41Å |
| 43 | L | 81.2 | Confident | 78.7 | Confident | 3 Ų | 3 | 17.7 Ų | 17.7 | 2% | 0.016 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.1 | -43 | -178 | -74.3 | 170 | 0 | 0 | 0 | 111.7 | T39 A40 N45 M46 L47 M139 L218 V221 C222 | T39-L43 HydrophobicContact CG2-CD1 4.23Å; T39-L43 VanDerWaalsContact O-CG 3.32Å; T39-L43 WeakPolarHBondContact O-CG 3.46Å; T39-L43 PolarHBondContact O-N 2.87Å; A40-L43 PolarHBondContact O-N 2.9Å; L43-N45 VanDerWaalsContact C-N 3.34Å; L43-N45 PolarHBondContact O-N 3.35Å; L43-M46 PolarHBondContact O-N 2.75Å; L43-L47 WeakPolarHBondContact O-CB 3.29Å; L43-L47 PolarHBondContact O-N 3.02Å; L43-M139 HydrophobicContact CB-SD 3.9Å; L43-L218 HydrophobicContact CD2-CD2 4.09Å; L43-V221 HydrophobicContact CD1-CG1 4.14Å; L43-V221 HydrophobicContact CD2-CB 3.84Å; L43-V221 HydrophobicContact CD2-CG1 3.75Å; L43-V221 HydrophobicContact CG-CG1 4.29Å; L43-C222 HydrophobicContact CD1-CB 3.99Å |
| 44 | D | 76.7 | Confident | 78.8 | Confident | 14 Ų | 14 | 17.4 Ų | 17.4 | 8% | 0.075 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.3 | -43.4 | 179.6 | -166.6 | 29.1 | 0 | 0 | 0 | 112.3 | A40 L42 Y48 K108 M139 T164 | A40-D44 PolarHBondContact O-N 3.44Å; L42-D44 VanDerWaalsContact C-N 3.33Å; L42-D44 PolarHBondContact O-N 3.47Å; D44-Y48 WeakPolarHBondContact O-CB 3.4Å; D44-Y48 PolarHBondContact O-N 3.24Å; D44-K108 IonicContact OD1-NZ 2.75Å; D44-K108 PolarHBondContact OD1-NZ 2.95Å; D44-K108 IonicContact OD2-NZ 3.5Å; D44-K108 PolarHBondContact OD2-NZ 3.43Å; D44-M139 HydrophobicContact CB-CE 3.66Å; D44-T164 VanDerWaalsContact CB-OG1 3.28Å; D44-T164 WeakPolarHBondContact CB-OG1 3.08Å; D44-T164 PolarHBondContact OD1-OG1 2.86Å; D44-T164 PolarHBondContact OD2-OG1 3.22Å |
| 45 | N | 77.7 | Confident | 78.8 | Confident | 32 Ų | 32 | 16.2 Ų | 16.2 | 17% | 0.171 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -74 | -32.7 | 178.4 | -75.2 | -81.4 | 0 | 0 | 0 | 112.4 | L41 L42 L43 Y48 M49 I191 | L41-N45 PolarHBondContact O-N 3.41Å; L41-N45 PolarHBondContact O-ND2 3.4Å; L42-N45 PolarHBondContact O-N 2.64Å; L43-N45 VanDerWaalsContact C-N 3.34Å; L43-N45 PolarHBondContact O-N 3.35Å; N45-Y48 WeakPolarHBondContact O-CB 3.14Å; N45-Y48 PolarHBondContact O-N 2.87Å; N45-M49 PolarHBondContact O-N 3.17Å; N45-M49 VanDerWaalsContact O-N 3.16Å; N45-I191 WeakPolarHBondContact CB-O 3.21Å |
| 46 | M | 82.4 | Confident | 78.4 | Confident | 17 Ų | 17 | 13.5 Ų | 13.5 | 8% | 0.084 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -65 | -47 | 172.5 | -78.4 | -161.6 | 75.6 | 0 | 0 | 111.6 | L42 L43 Y48 M49 V50 G194 A198 F201 L218 | L42-M46 HydrophobicContact CD1-CG 4.22Å; L42-M46 HydrophobicContact CD1-SD 4.42Å; L42-M46 HydrophobicContact CG-CG 4.41Å; L42-M46 HydrophobicContact CG-SD 4.4Å; L42-M46 WeakPolarHBondContact O-CB 3.16Å; L42-M46 WeakPolarHBondContact O-CG 3.45Å; L42-M46 PolarHBondContact O-N 2.71Å; L43-M46 PolarHBondContact O-N 2.75Å; M46-Y48 PolarHBondContact O-N 3.07Å; M46-M49 PolarHBondContact O-N 2.99Å; M46-V50 WeakPolarHBondContact O-CB 3.49Å; M46-V50 WeakPolarHBondContact O-CG1 3.44Å; M46-V50 PolarHBondContact O-N 2.87Å; M46-G194 VanDerWaalsContact CG-CA 3.49Å; M46-G194 WeakPolarHBondContact CG-O 3.45Å; M46-A198 HydrophobicContact CB-CB 4.2Å; M46-A198 HydrophobicContact CE-CB 4.4Å; M46-A198 HydrophobicContact CG-CB 4.27Å; M46-A198 WeakPolarHBondContact O-CB 3.45Å; M46-F201 HydrophobicContact CE-CB 4.13Å; M46-F201 HydrophobicContact CE-CD1 3.68Å; M46-F201 HydrophobicContact CE-CD2 4.21Å; M46-F201 HydrophobicContact CE-CE1 4.1Å; M46-F201 HydrophobicContact CE-CG 3.75Å; M46-L218 HydrophobicContact CB-CD2 4.02Å; M46-L218 HydrophobicContact CE-CD2 4.1Å; M46-L218 HydrophobicContact SD-CD2 4.05Å |
| 47 | L | 78.1 | Confident | 78.1 | Confident | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.3 | -33.1 | 174.1 | -85.8 | 152.5 | 0 | 0 | 0 | 111.7 | L43 M139 T143 R159 F215 L218 | L43-L47 WeakPolarHBondContact O-CB 3.29Å; L43-L47 PolarHBondContact O-N 3.02Å; L47-M139 HydrophobicContact CD1-CG 3.82Å; L47-M139 HydrophobicContact CD1-SD 4.1Å; L47-T143 HydrophobicContact CD1-CG2 4.44Å; L47-T143 VanDerWaalsContact CD1-OG1 3.24Å; L47-T143 WeakPolarHBondContact CD1-OG1 3.32Å; L47-T143 HydrophobicContact CD2-CG2 3.58Å; L47-T143 WeakPolarHBondContact CD2-OG1 3.46Å; L47-R159 PolarHBondContact O-NH1 3.07Å; L47-F215 HydrophobicContact CD2-CD1 4.36Å; L47-L218 HydrophobicContact CD2-CD1 4.16Å; L47-L218 HydrophobicContact CG-CD1 4.11Å |
| 48 | Y | 73.9 | Confident | 78.2 | Confident | 23 Ų | 23 | 16.9 Ų | 16.9 | 9% | 0.09 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.6 | -50 | 174.9 | -176.5 | -106.3 | 0 | 0 | 0 | 112 | D44 N45 M46 I51 K108 R159 Y402 | D44-Y48 WeakPolarHBondContact O-CB 3.4Å; D44-Y48 PolarHBondContact O-N 3.24Å; N45-Y48 WeakPolarHBondContact O-CB 3.14Å; N45-Y48 PolarHBondContact O-N 2.87Å; M46-Y48 PolarHBondContact O-N 3.07Å; Y48-I51 VanDerWaalsContact O-CG1 3.23Å; Y48-I51 WeakPolarHBondContact O-CG1 3.47Å; Y48-K108 HydrophobicContact CD2-CD 4.4Å; Y48-R159 VanDerWaalsContact CA-NH2 3.3Å; Y48-R159 PolarHBondContact O-NH2 2.69Å; Y48-Y402 HydrophobicContact CE1-CD1 4.16Å; Y48-Y402 AromaticContact CE1-CE1 3.93Å; Y48-Y402 HydrophobicContact CE1-CE1 3.93Å; Y48-Y402 AromaticContact CZ-CD1 3.8Å; Y48-Y402 WeakPolarHBondContact OH-CD1 3.47Å |
| 49 | M | 76.9 | Confident | 78 | Confident | 4 Ų | 4 | 16.8 Ų | 16.8 | 2% | 0.02 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -95.8 | -18.7 | -169.7 | -71.6 | -57.5 | -77.2 | 0 | 0 | 115.1 | N45 M46 I51 V52 S195 A198 P199 E278 | N45-M49 PolarHBondContact O-N 3.17Å; N45-M49 VanDerWaalsContact O-N 3.16Å; M46-M49 PolarHBondContact O-N 2.99Å; M49-I51 PolarHBondContact O-N 3.29Å; M49-V52 HydrophobicContact CE-CG2 4.3Å; M49-V52 WeakPolarHBondContact O-CB 3.45Å; M49-V52 PolarHBondContact O-N 3.16Å; M49-V52 HydrophobicContact SD-CG2 4.11Å; M49-S195 WeakPolarHBondContact CB-O 3.44Å; M49-S195 WeakPolarHBondContact CG-O 3.49Å; M49-A198 HydrophobicContact CB-CB 3.61Å; M49-P199 HydrophobicContact CB-CG 4.11Å; M49-P199 HydrophobicContact CE-CG 3.94Å; M49-E278 HydrophobicContact CE-CG 4.13Å |
| 50 | V | 80.7 | Confident | 77.8 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.9 | -26.6 | -178.6 | 73.9 | 0 | 0 | 0 | 0 | 112.3 | M46 P53 I54 A198 F201 P214 F215 L218 | M46-V50 WeakPolarHBondContact O-CB 3.49Å; M46-V50 WeakPolarHBondContact O-CG1 3.44Å; M46-V50 PolarHBondContact O-N 2.87Å; V50-P53 WeakPolarHBondContact O-CD 3.28Å; V50-I54 HydrophobicContact CG2-CD1 4.3Å; V50-I54 VanDerWaalsContact O-CD1 3.32Å; V50-I54 WeakPolarHBondContact O-CD1 3.36Å; V50-I54 WeakPolarHBondContact O-CG1 3.48Å; V50-A198 HydrophobicContact CB-CB 4.32Å; V50-F201 HydrophobicContact CG2-CD1 3.77Å; V50-F201 HydrophobicContact CG2-CE1 4.14Å; V50-P214 HydrophobicContact CG2-CB 4.11Å; V50-F215 HydrophobicContact CG1-CD1 4.43Å; V50-F215 HydrophobicContact CG1-CE1 3.82Å; V50-F215 HydrophobicContact CG1-CZ 4.47Å; V50-L218 HydrophobicContact CB-CD1 4.34Å; V50-L218 HydrophobicContact CG1-CD1 3.96Å; V50-L218 HydrophobicContact CG2-CD1 4.33Å |
| 51 | I | 78.1 | Confident | 77.8 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -22.9 | -177.9 | 58.1 | 154.7 | 0 | 0 | 0 | 113.1 | Y48 M49 I54 I55 F105 F146 R159 F215 | Y48-I51 VanDerWaalsContact O-CG1 3.23Å; Y48-I51 WeakPolarHBondContact O-CG1 3.47Å; M49-I51 PolarHBondContact O-N 3.29Å; I51-I54 PolarHBondContact O-N 2.96Å; I51-I54 VanDerWaalsContact O-N 3.08Å; I51-I55 HydrophobicContact CB-CG1 3.8Å; I51-I55 HydrophobicContact CG2-CG1 4.31Å; I51-I55 WeakPolarHBondContact O-CB 3.42Å; I51-I55 PolarHBondContact O-N 3.45Å; I51-F105 HydrophobicContact CD1-CD1 3.65Å; I51-F105 HydrophobicContact CD1-CE1 3.48Å; I51-F105 VanDerWaalsContact CD1-CE1 3.48Å; I51-F105 HydrophobicContact CG1-CD1 4.4Å; I51-F105 HydrophobicContact CG1-CE1 3.88Å; I51-F146 HydrophobicContact CG2-CD1 4.41Å; I51-F146 HydrophobicContact CG2-CE1 3.86Å; I51-F146 HydrophobicContact CG2-CZ 4.23Å; I51-R159 VanDerWaalsContact CD1-NH2 3.25Å; I51-F215 HydrophobicContact CG2-CE1 3.66Å; I51-F215 HydrophobicContact CG2-CZ 3.8Å |
| 52 | V | 74.1 | Confident | 77.8 | Confident | 44 Ų | 44 | 31.2 Ų | 31.2 | 27% | 0.267 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -50.3 | -174.4 | 175.3 | 0 | 0 | 0 | 0 | 112.1 | M49 P56 F105 | M49-V52 HydrophobicContact CE-CG2 4.3Å; M49-V52 WeakPolarHBondContact O-CB 3.45Å; M49-V52 PolarHBondContact O-N 3.16Å; M49-V52 HydrophobicContact SD-CG2 4.11Å; V52-P56 WeakPolarHBondContact O-CD 3.37Å; V52-F105 HydrophobicContact CG2-CE1 3.93Å; V52-F105 HydrophobicContact CG2-CZ 4.25Å |
| 53 | P | 73.6 | Confident | 77.2 | Confident | 45 Ų | 45 | 32.7 Ų | 32.7 | 29% | 0.292 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -17.7 | 177.1 | 29.5 | -35.9 | 0 | 0 | 0 | 114.3 | V50 | V50-P53 WeakPolarHBondContact O-CD 3.28Š|
| 54 | I | 78.4 | Confident | 76.7 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -48.6 | -170.5 | -59.1 | -180 | 0 | 0 | 0 | 111.5 | V50 I51 Y58 Y206 K211 P214 F215 | V50-I54 HydrophobicContact CG2-CD1 4.3Å; V50-I54 VanDerWaalsContact O-CD1 3.32Å; V50-I54 WeakPolarHBondContact O-CD1 3.36Å; V50-I54 WeakPolarHBondContact O-CG1 3.48Å; I51-I54 PolarHBondContact O-N 2.96Å; I51-I54 VanDerWaalsContact O-N 3.08Å; I54-Y58 VanDerWaalsContact O-CB 3.25Å; I54-Y58 WeakPolarHBondContact O-CB 3.47Å; I54-Y58 PolarHBondContact O-N 3.43Å; I54-Y206 HydrophobicContact CB-CG 4.39Å; I54-Y206 HydrophobicContact CD1-CG 4.48Å; I54-Y206 HydrophobicContact CG1-CD1 4.34Å; I54-Y206 HydrophobicContact CG1-CD2 4.45Å; I54-Y206 HydrophobicContact CG1-CG 3.94Å; I54-Y206 HydrophobicContact CG2-CD1 4.47Å; I54-Y206 HydrophobicContact CG2-CD2 3.77Å; I54-Y206 HydrophobicContact CG2-CE2 3.96Å; I54-Y206 HydrophobicContact CG2-CG 4.05Å; I54-K211 HydrophobicContact CG2-CG 4.31Å; I54-P214 HydrophobicContact CD1-CB 4.21Å; I54-P214 HydrophobicContact CD1-CG 3.86Å; I54-F215 HydrophobicContact CD1-CE2 4.17Å; I54-F215 HydrophobicContact CD1-CZ 4.15Å |
| 55 | I | 78.1 | Confident | 76.6 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.6 | -44.1 | -164.5 | -73.6 | -72.7 | 0 | 0 | 0 | 113.8 | I51 D57 Y58 L59 L101 L104 F146 L155 | I51-I55 HydrophobicContact CB-CG1 3.8Å; I51-I55 HydrophobicContact CG2-CG1 4.31Å; I51-I55 WeakPolarHBondContact O-CB 3.42Å; I51-I55 PolarHBondContact O-N 3.45Å; I55-D57 PolarHBondContact O-N 3.5Å; I55-Y58 PolarHBondContact O-N 2.89Å; I55-L59 HydrophobicContact CG2-CD1 3.54Å; I55-L59 HydrophobicContact CG2-CG 3.94Å; I55-L59 WeakPolarHBondContact O-CB 3.21Å; I55-L59 WeakPolarHBondContact O-CG 2.97Å; I55-L59 PolarHBondContact O-N 3Å; I55-L101 HydrophobicContact CG2-CD2 3.8Å; I55-L104 HydrophobicContact CG2-CD2 3.56Å; I55-F146 HydrophobicContact CD1-CE1 3.84Å; I55-F146 HydrophobicContact CG1-CE1 4.44Å; I55-L155 HydrophobicContact CD1-CD1 3.97Å; I55-L155 HydrophobicContact CD1-CD2 4.22Å |
| 56 | P | 74.9 | Confident | 76.1 | Confident | 27 Ų | 27 | 38.1 Ų | 38.1 | 18% | 0.175 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.1 | -48.7 | 178.2 | -24.6 | 34 | 0 | 0 | 0 | 112.1 | V52 R60 L101 | V52-P56 WeakPolarHBondContact O-CD 3.37Å; P56-R60 VanDerWaalsContact O-CG 3.25Å; P56-R60 WeakPolarHBondContact O-CG 3.46Å; P56-R60 PolarHBondContact O-N 3.35Å; P56-R60 VanDerWaalsContact O-N 3.13Å; P56-L101 HydrophobicContact CB-CD1 4.04Å; P56-L101 HydrophobicContact CB-CD2 4.39Å; P56-L101 HydrophobicContact CG-CD1 3.99Å; P56-L101 HydrophobicContact CG-CD2 3.95Å |
| 57 | D | 74.4 | Confident | 75.6 | Confident | 39 Ų | 39 | 40 Ų | 40 | 21% | 0.209 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.7 | -44.5 | 176.5 | -179.3 | 57.4 | 0 | 0 | 0 | 111.6 | I55 L59 R60 R61 Y206 | I55-D57 PolarHBondContact O-N 3.5Å; D57-L59 PolarHBondContact O-N 3.36Å; D57-R60 PolarHBondContact O-N 3Å; D57-R61 WeakPolarHBondContact O-CG 3.32Å; D57-R61 PolarHBondContact O-N 2.93Å; D57-R61 IonicContact OD1-NE 3.05Å; D57-R61 PolarHBondContact OD1-NE 2.77Å; D57-R61 IonicContact OD1-NH2 2.93Å; D57-R61 IonicContact OD2-CZ 2.7Å; D57-R61 VanDerWaalsContact OD2-CZ 3.26Å; D57-R61 IonicContact OD2-NE 3.92Å; D57-R61 PolarHBondContact OD2-NE 2.91Å; D57-R61 IonicContact OD2-NH2 3.61Å; D57-R61 PolarHBondContact OD2-NH2 3.4Å; D57-Y206 HydrophobicContact CB-CE1 4.32Å; D57-Y206 WeakPolarHBondContact OD2-CE1 3.45Å; D57-Y206 PolarHBondContact OD2-OH 2.97Å |
| 58 | Y | 79.2 | Confident | 75.2 | Confident | 34 Ų | 34 | 42.1 Ų | 42.1 | 13% | 0.133 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.1 | -43.6 | 180 | -174.7 | -103.2 | 0 | 0 | 0 | 112.9 | I54 I55 R60 R61 I62 G149 L155 K211 | I54-Y58 VanDerWaalsContact O-CB 3.25Å; I54-Y58 WeakPolarHBondContact O-CB 3.47Å; I54-Y58 PolarHBondContact O-N 3.43Å; I55-Y58 PolarHBondContact O-N 2.89Å; Y58-R60 VanDerWaalsContact C-N 3.34Å; Y58-R60 PolarHBondContact O-N 3.18Å; Y58-R61 WeakPolarHBondContact O-CB 3.43Å; Y58-R61 PolarHBondContact O-N 3.38Å; Y58-R61 VanDerWaalsContact O-N 3.15Å; Y58-I62 HydrophobicContact CD1-CD1 4.32Å; Y58-I62 HydrophobicContact CD1-CG2 4.32Å; Y58-I62 HydrophobicContact CD2-CG2 4.47Å; Y58-I62 HydrophobicContact CE1-CD1 4.01Å; Y58-I62 HydrophobicContact CE1-CG2 3.85Å; Y58-I62 HydrophobicContact CE2-CG2 4.01Å; Y58-I62 WeakPolarHBondContact O-CG1 3.46Å; Y58-I62 PolarHBondContact O-N 3.35Å; Y58-G149 PolarHBondContact OH-O 3.13Å; Y58-L155 HydrophobicContact CD1-CD1 4.17Å; Y58-L155 HydrophobicContact CE1-CD1 4.13Å; Y58-K211 HydrophobicContact CD1-CD 3.96Å; Y58-K211 HydrophobicContact CD2-CB 4.39Å; Y58-K211 HydrophobicContact CD2-CD 3.69Å; Y58-K211 HydrophobicContact CD2-CG 4.49Å; Y58-K211 HydrophobicContact CE1-CD 3.73Å; Y58-K211 HydrophobicContact CE2-CB 4.38Å; Y58-K211 HydrophobicContact CE2-CD 3.44Å; Y58-K211 VanDerWaalsContact CE2-CD 3.44Å; Y58-K211 HydrophobicContact CE2-CG 4.49Å; Y58-K211 HydrophobicContact CG-CD 3.93Å; Y58-K211 VanDerWaalsContact CZ-CD 3.46Å |
| 59 | L | 77.4 | Confident | 75 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.8 | -37.3 | 178.4 | -72.1 | 179.1 | 0 | 0 | 0 | 111.9 | I55 D57 I62 G63 A64 Y65 L101 L104 Y152 L155 | I55-L59 HydrophobicContact CG2-CD1 3.54Å; I55-L59 HydrophobicContact CG2-CG 3.94Å; I55-L59 WeakPolarHBondContact O-CB 3.21Å; I55-L59 WeakPolarHBondContact O-CG 2.97Å; I55-L59 PolarHBondContact O-N 3Å; D57-L59 PolarHBondContact O-N 3.36Å; L59-I62 HydrophobicContact CD2-CD1 3.83Å; L59-I62 HydrophobicContact CD2-CG1 4.48Å; L59-I62 WeakPolarHBondContact O-CG1 3.29Å; L59-G63 PolarHBondContact O-N 3.47Å; L59-A64 HydrophobicContact CB-CB 4.14Å; L59-A64 HydrophobicContact CD2-CB 3.99Å; L59-A64 WeakPolarHBondContact O-CB 3.4Å; L59-A64 PolarHBondContact O-N 2.99Å; L59-Y65 HydrophobicContact CB-CE2 3.6Å; L59-Y65 WeakPolarHBondContact CD1-OH 3.46Å; L59-L101 HydrophobicContact CD1-CD2 4.13Å; L59-L104 HydrophobicContact CD1-CD2 4.35Å; L59-Y152 HydrophobicContact CD1-CD2 3.96Å; L59-Y152 HydrophobicContact CD1-CE2 4.33Å; L59-Y152 HydrophobicContact CD2-CD2 4.09Å; L59-L155 HydrophobicContact CD2-CD1 4.02Å |
| 60 | R | 77.9 | Confident | 74.5 | Confident | 100 Ų | 100 | 47.1 Ų | 47.1 | 38% | 0.377 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 170.3 | -69.1 | 169.3 | -179.2 | 175.5 | -1 | 111.5 | P56 D57 Y58 G63 Y65 Y94 E97 | P56-R60 VanDerWaalsContact O-CG 3.25Å; P56-R60 WeakPolarHBondContact O-CG 3.46Å; P56-R60 PolarHBondContact O-N 3.35Å; P56-R60 VanDerWaalsContact O-N 3.13Å; D57-R60 PolarHBondContact O-N 3Å; Y58-R60 VanDerWaalsContact C-N 3.34Å; Y58-R60 PolarHBondContact O-N 3.18Å; R60-G63 PolarHBondContact O-N 3.45Å; R60-Y65 HydrophobicContact CG-CD2 4.24Å; R60-Y65 HydrophobicContact CG-CE2 4.21Å; R60-Y94 HydrophobicContact CB-CE1 4.33Å; R60-Y94 HydrophobicContact CG-CD1 4.37Å; R60-Y94 HydrophobicContact CG-CD2 4.07Å; R60-Y94 HydrophobicContact CG-CE1 4.04Å; R60-Y94 HydrophobicContact CG-CE2 3.74Å; R60-Y94 HydrophobicContact CG-CG 4.37Å; R60-E97 IonicContact CZ-OE1 2.7Å; R60-E97 IonicContact CZ-OE2 2.64Å; R60-E97 IonicContact NE-OE1 3.11Å; R60-E97 PolarHBondContact NE-OE1 3.33Å; R60-E97 IonicContact NE-OE2 3.62Å; R60-E97 PolarHBondContact NE-OE2 2.9Å; R60-E97 IonicContact NH2-OE1 2.71Å; R60-E97 PolarHBondContact NH2-OE1 2.77Å; R60-E97 IonicContact NH2-OE2 3.32Å; R60-E97 PolarHBondContact NH2-OE2 3.49Å |
| 61 | R | 78.6 | Confident | 73.8 | Confident | 181 Ų | 181 | 54 Ų | 54 | 68% | 0.683 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -64.8 | -38.5 | 179.9 | -74.9 | -177.6 | -167.9 | -142.9 | 7.7 | 113.7 | D57 Y58 G63 | D57-R61 WeakPolarHBondContact O-CG 3.32Å; D57-R61 PolarHBondContact O-N 2.93Å; D57-R61 IonicContact OD1-NE 3.05Å; D57-R61 PolarHBondContact OD1-NE 2.77Å; D57-R61 IonicContact OD1-NH2 2.93Å; D57-R61 IonicContact OD2-CZ 2.7Å; D57-R61 VanDerWaalsContact OD2-CZ 3.26Å; D57-R61 IonicContact OD2-NE 3.92Å; D57-R61 PolarHBondContact OD2-NE 2.91Å; D57-R61 IonicContact OD2-NH2 3.61Å; D57-R61 PolarHBondContact OD2-NH2 3.4Å; Y58-R61 WeakPolarHBondContact O-CB 3.43Å; Y58-R61 PolarHBondContact O-N 3.38Å; Y58-R61 VanDerWaalsContact O-N 3.15Å; R61-G63 PolarHBondContact O-N 2.82Å |
| 62 | I | 78.1 | Confident | 73 | Confident | 64 Ų | 64 | 59.4 Ų | 59.4 | 33% | 0.328 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -0.7 | 178.3 | 68.9 | 174.9 | 0 | 0 | 0 | 113.2 | Y58 L59 A64 | Y58-I62 HydrophobicContact CD1-CD1 4.32Å; Y58-I62 HydrophobicContact CD1-CG2 4.32Å; Y58-I62 HydrophobicContact CD2-CG2 4.47Å; Y58-I62 HydrophobicContact CE1-CD1 4.01Å; Y58-I62 HydrophobicContact CE1-CG2 3.85Å; Y58-I62 HydrophobicContact CE2-CG2 4.01Å; Y58-I62 WeakPolarHBondContact O-CG1 3.46Å; Y58-I62 PolarHBondContact O-N 3.35Å; L59-I62 HydrophobicContact CD2-CD1 3.83Å; L59-I62 HydrophobicContact CD2-CG1 4.48Å; L59-I62 WeakPolarHBondContact O-CG1 3.29Å; I62-A64 HydrophobicContact CD1-CB 4.4Å; I62-A64 HydrophobicContact CG1-CB 4.16Å |
| 63 | G | 70.6 | Confident | 72.2 | Confident | 58 Ų | 58 | 63.8 Ų | 63.8 | 60% | 0.598 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | 35.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | L59 R60 R61 Y65 | L59-G63 PolarHBondContact O-N 3.47Å; R60-G63 PolarHBondContact O-N 3.45Å; R61-G63 PolarHBondContact O-N 2.82Å; G63-Y65 PolarHBondContact O-N 3.46Å |
| 64 | A | 70.3 | Confident | 71.4 | Confident | 45 Ų | 45 | 64.2 Ų | 64.2 | 37% | 0.372 | 33% | 0.326 | S | S | . | . | trans | -72.2 | -10.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L59 I62 | L59-A64 HydrophobicContact CB-CB 4.14Å; L59-A64 HydrophobicContact CD2-CB 3.99Å; L59-A64 WeakPolarHBondContact O-CB 3.4Å; L59-A64 PolarHBondContact O-N 2.99Å; I62-A64 HydrophobicContact CD1-CB 4.4Å; I62-A64 HydrophobicContact CG1-CB 4.16Å | ||
| 65 | Y | 74.8 | Confident | 70.2 | Confident | 21 Ų | 21 | 68.7 Ų | 68.7 | 8% | 0.082 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -120.4 | 149.5 | -172.9 | -55.5 | -63.6 | 0 | 0 | 0 | 112.7 | L59 R60 G63 Y94 E97 | L59-Y65 HydrophobicContact CB-CE2 3.6Å; L59-Y65 WeakPolarHBondContact CD1-OH 3.46Å; R60-Y65 HydrophobicContact CG-CD2 4.24Å; R60-Y65 HydrophobicContact CG-CE2 4.21Å; G63-Y65 PolarHBondContact O-N 3.46Å; Y65-Y94 HydrophobicContact CD2-CD1 4.07Å; Y65-Y94 HydrophobicContact CD2-CG 4.28Å; Y65-Y94 HydrophobicContact CG-CD1 4.38Å; Y65-E97 HydrophobicContact CD1-CB 4.42Å; Y65-E97 HydrophobicContact CE1-CB 4.22Å; Y65-E97 HydrophobicContact CE1-CG 4.41Å; Y65-E97 HydrophobicContact CE2-CB 4.49Å; Y65-E97 HydrophobicContact CE2-CG 4.11Å |
| 66 | T | 68.2 | Low | 68.9 | Low | 97 Ų | 97 | 74.4 Ų | 74.4 | 60% | 0.595 | 38% | 0.377 | S | S | * | . | trans | -74.6 | 122.8 | 168.5 | -28.9 | 0 | 0 | 0 | 0 | 109.2 | Q95 | T66-Q95 PolarHBondContact O-N 2.83Š| ||
| 67 | V | 71.8 | Confident | 67.6 | Low | 55 Ų | 55 | 79.2 Ų | 79.2 | 33% | 0.333 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 123.4 | -175 | -174.5 | 0 | 0 | 0 | 0 | 110.7 | Y69 K92 Y94 | V67-Y69 HydrophobicContact CG1-CE1 4.25Å; V67-Y69 HydrophobicContact CG1-CE2 4.23Å; V67-K92 HydrophobicContact CG1-CB 4.46Å; V67-K92 HydrophobicContact CG1-CG 4.37Å; V67-Y94 HydrophobicContact CG2-CD1 3.78Å; V67-Y94 HydrophobicContact CG2-CE1 3.68Å |
| 68 | T | 69.2 | Low | 66.4 | Low | 47 Ų | 47 | 85.8 Ų | 85.8 | 29% | 0.288 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 150 | 165.8 | 41.3 | 0 | 0 | 0 | 0 | 110.3 | E93 Q95 | T68-E93 PolarHBondContact N-O 2.99Å; T68-E93 PolarHBondContact O-N 3.02Å; T68-E93 VanDerWaalsContact O-O 3.08Å; T68-E93 PolarHBondContact OG1-O 2.83Å; T68-Q95 HydrophobicContact CG2-CG 4.08Å |
| 69 | Y | 69.7 | Low | 64.9 | Low | 102 Ų | 102 | 90.4 Ų | 90.4 | 40% | 0.4 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 118.5 | 179.7 | -64.1 | -81.8 | 0 | 0 | 0 | 109.1 | V67 R90 K92 | V67-Y69 HydrophobicContact CG1-CE1 4.25Å; V67-Y69 HydrophobicContact CG1-CE2 4.23Å; Y69-R90 HydrophobicContact CD1-CG 4.02Å; Y69-R90 VanDerWaalsContact CD1-CZ 3.48Å; Y69-R90 VanDerWaalsContact CD1-NH2 3.27Å; Y69-R90 VanDerWaalsContact CE1-CZ 3.46Å; Y69-R90 VanDerWaalsContact CE2-NH2 3.27Å; Y69-K92 HydrophobicContact CD1-CG 3.89Å; Y69-K92 HydrophobicContact CE1-CD 4.23Å; Y69-K92 HydrophobicContact CE1-CG 3.56Å |
| 70 | S | 66.6 | Low | 63.3 | Low | 29 Ų | 29 | 94.9 Ų | 94.9 | 20% | 0.203 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 156.8 | 170 | 57.4 | 0 | 0 | 0 | 0 | 109.9 | V91 E93 | S70-V91 PolarHBondContact N-O 2.83Å; S70-V91 PolarHBondContact O-N 3.12Å; S70-E93 WeakPolarHBondContact CB-OE1 3.43Å; S70-E93 VanDerWaalsContact OG-CD 3.24Å; S70-E93 PolarHBondContact OG-OE1 3.35Å |
| 71 | Y | 65.5 | Low | 61.9 | Low | 144 Ų | 144 | 97 Ų | 97 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 115.4 | 179.2 | -63.7 | -88.4 | 0 | 0 | 0 | 108.5 | M88 R89 R90 | Y71-M88 HydrophobicContact CD1-CB 4.37Å; Y71-R89 WeakPolarHBondContact CA-O 3.26Å; Y71-R90 HydrophobicContact CD1-CB 4.38Å; Y71-R90 HydrophobicContact CE1-CB 4.24Å; Y71-R90 HydrophobicContact CE1-CG 4.15Å |
| 72 | E | 62.6 | Low | 60.6 | Low | 116 Ų | 116 | 93.4 Ų | 93.4 | 54% | 0.542 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 138.3 | 172.4 | -85.8 | -173.2 | 147.9 | 0 | 0 | 110.4 | V74 M88 R89 V91 | E72-V74 PolarHBondContact O-N 3.2Å; E72-M88 CarbonylContact O-C 3.56Å; E72-M88 WeakPolarHBondContact O-CA 3.3Å; E72-R89 PolarHBondContact N-O 3.21Å; E72-R89 PolarHBondContact O-N 3.28Å; E72-V91 HydrophobicContact CB-CG2 4.21Å; E72-V91 HydrophobicContact CG-CG2 4.21Å |
| 73 | Q | 55.6 | Low | 59.3 | Low | 135 Ų | 135 | 97.4 Ų | 97.4 | 63% | 0.631 | 55% | 0.553 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.7 | 109.7 | 177.6 | -153.1 | 177.6 | 6.6 | 0 | 0 | 108.7 | S86 | Q73-S86 PolarHBondContact NE2-OG 3.28Å |
| 74 | V | 57.5 | Low | 58.3 | Low | 54 Ų | 54 | 101.1 Ų | 101.1 | 33% | 0.327 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.1 | 124.9 | 178.5 | -174.1 | 0 | 0 | 0 | 0 | 108.8 | E72 R87 R89 | E72-V74 PolarHBondContact O-N 3.2Å; V74-R87 PolarHBondContact N-O 3.03Å; V74-R87 PolarHBondContact O-N 3.48Å; V74-R87 VanDerWaalsContact O-N 3.09Å; V74-R89 HydrophobicContact CG2-CB 3.75Å |
| 75 | N | 52.8 | Low | 57.5 | Low | 94 Ų | 94 | 104 Ų | 104 | 50% | 0.503 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.5 | 101.7 | 172.1 | -70.4 | -17 | 0 | 0 | 0 | 108.6 | M84 | N75-M84 HydrophobicContact CB-SD 4.45Å |
| 76 | E | 51.5 | Low | 56.5 | Low | 121 Ų | 121 | 105.6 Ų | 105.6 | 57% | 0.565 | 59% | 0.585 | S | S | * | * | trans | -85.7 | 118.8 | 165 | -80.1 | 178.7 | 161 | 0 | 0 | 108.2 | ||||
| 77 | T | 48.3 | Very low | 55.9 | Low | 127 Ų | 127 | 109.9 Ų | 109.9 | 78% | 0.779 | 59% | 0.59 | S | S | * | * | trans | -96.4 | 94.9 | 164.1 | 19.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 78 | E | 47.3 | Very low | 55.1 | Low | 178 Ų | 178 | 113.4 Ų | 113.4 | 83% | 0.832 | 60% | 0.604 | S | S | * | * | trans | -68.4 | 132.8 | 159.7 | -86.4 | -170.9 | 153.8 | 0 | 0 | 108.1 | S80 | E78-S80 PolarHBondContact O-N 3.06Š| ||
| 79 | S | 47.7 | Very low | 54.6 | Low | 130 Ų | 130 | 119.1 Ų | 119.1 | 91% | 0.909 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -73.6 | 73.7 | 178.8 | 69.7 | 0 | 0 | 0 | 0 | 110.9 | ||
| 80 | S | 45.2 | Very low | 54.2 | Low | 94 Ų | 94 | 120.9 Ų | 120.9 | 66% | 0.657 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -168.1 | 114.6 | 155.4 | -157.7 | 0 | 0 | 0 | 0 | 109 | E78 | E78-S80 PolarHBondContact O-N 3.06Š|
| 81 | D | 47.4 | Very low | 54.1 | Low | 144 Ų | 144 | 121.3 Ų | 121.3 | 77% | 0.77 | 63% | 0.628 | S | S | * | * | S | Bend | trans | 53.2 | 101.8 | 160.2 | -57.8 | -34.5 | 0 | 0 | 0 | 120.3 | N83 | D81-N83 PolarHBondContact O-N 2.74Š|
| 82 | A | 52 | Low | 54.2 | Low | 107 Ų | 107 | 120.3 Ų | 120.3 | 88% | 0.884 | 63% | 0.626 | S | S | * | * | S | Bend | trans | 58.8 | -1.6 | 139.5 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||
| 83 | N | 50.5 | Low | 54.3 | Low | 147 Ų | 147 | 119.5 Ų | 119.5 | 79% | 0.786 | 62% | 0.623 | S | S | * | * | trans | -119.5 | 106.5 | 174.4 | -80.7 | -23.3 | 0 | 0 | 0 | 112.6 | D81 T85 | D81-N83 PolarHBondContact O-N 2.74Å; N83-T85 PolarHBondContact O-N 2.86Å | ||
| 84 | M | 50.9 | Low | 55 | Low | 136 Ų | 136 | 115.8 Ų | 115.8 | 67% | 0.67 | 60% | 0.603 | S | S | * | * | trans | -79.2 | 99.1 | 172 | -173.3 | 163.5 | 69.6 | 0 | 0 | 109.9 | N75 | N75-M84 HydrophobicContact CB-SD 4.45Š| ||
| 85 | T | 52.8 | Low | 55.5 | Low | 105 Ų | 105 | 118.1 Ų | 118.1 | 64% | 0.644 | 61% | 0.61 | S | S | * | * | trans | -87.6 | 107.9 | 170.5 | 39.7 | 0 | 0 | 0 | 0 | 110.3 | N83 | N83-T85 PolarHBondContact O-N 2.86Š| ||
| 86 | S | 53.1 | Low | 56.3 | Low | 56 Ų | 56 | 116.9 Ų | 116.9 | 39% | 0.392 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.4 | 123.7 | 172.2 | 83.4 | 0 | 0 | 0 | 0 | 110 | Q73 | Q73-S86 PolarHBondContact NE2-OG 3.28Å |
| 87 | R | 55.5 | Low | 57.3 | Low | 186 Ų | 186 | 112 Ų | 112 | 70% | 0.702 | 59% | 0.586 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.6 | 128.9 | 175.3 | -166.2 | 175.8 | -178.8 | -178.1 | 1.3 | 109.5 | V74 R89 | V74-R87 PolarHBondContact N-O 3.03Å; V74-R87 PolarHBondContact O-N 3.48Å; V74-R87 VanDerWaalsContact O-N 3.09Å; R87-R89 PolarHBondContact O-N 3.43Å |
| 88 | M | 54.9 | Low | 58.2 | Low | 130 Ų | 130 | 109.8 Ų | 109.8 | 64% | 0.64 | 57% | 0.57 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -73.3 | 112.3 | 170.7 | -81 | -176.4 | 172.8 | 0 | 0 | 109.4 | Y71 E72 | Y71-M88 HydrophobicContact CD1-CB 4.37Å; E72-M88 CarbonylContact O-C 3.56Å; E72-M88 WeakPolarHBondContact O-CA 3.3Å |
| 89 | R | 58.2 | Low | 59.2 | Low | 166 Ų | 166 | 107.8 Ų | 107.8 | 63% | 0.626 | 56% | 0.561 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.1 | 121.1 | 170.7 | -174.6 | 179.1 | 179.2 | -173.8 | -0.5 | 108.3 | Y71 E72 V74 R87 V91 | Y71-R89 WeakPolarHBondContact CA-O 3.26Å; E72-R89 PolarHBondContact N-O 3.21Å; E72-R89 PolarHBondContact O-N 3.28Å; V74-R89 HydrophobicContact CG2-CB 3.75Å; R87-R89 PolarHBondContact O-N 3.43Å; R89-V91 PolarHBondContact O-N 3.48Å |
| 90 | R | 61.4 | Low | 60.5 | Low | 139 Ų | 139 | 102.8 Ų | 102.8 | 53% | 0.525 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 113.6 | 173.7 | -171.9 | 178 | -177.8 | -176.6 | 1.1 | 108.9 | Y69 Y71 | Y69-R90 HydrophobicContact CD1-CG 4.02Å; Y69-R90 VanDerWaalsContact CD1-CZ 3.48Å; Y69-R90 VanDerWaalsContact CD1-NH2 3.27Å; Y69-R90 VanDerWaalsContact CE1-CZ 3.46Å; Y69-R90 VanDerWaalsContact CE2-NH2 3.27Å; Y71-R90 HydrophobicContact CD1-CB 4.38Å; Y71-R90 HydrophobicContact CE1-CB 4.24Å; Y71-R90 HydrophobicContact CE1-CG 4.15Å |
| 91 | V | 65.8 | Low | 61.9 | Low | 39 Ų | 39 | 99.1 Ų | 99.1 | 24% | 0.236 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 130.2 | 175.8 | -177.1 | 0 | 0 | 0 | 0 | 108.1 | S70 E72 R89 | S70-V91 PolarHBondContact N-O 2.83Å; S70-V91 PolarHBondContact O-N 3.12Å; E72-V91 HydrophobicContact CB-CG2 4.21Å; E72-V91 HydrophobicContact CG-CG2 4.21Å; R89-V91 PolarHBondContact O-N 3.48Å |
| 92 | K | 66.5 | Low | 63.1 | Low | 122 Ų | 122 | 92.5 Ų | 92.5 | 53% | 0.53 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 112.7 | 174.1 | -81.4 | -178.1 | 177.4 | -179 | 0 | 107.9 | V67 Y69 | V67-K92 HydrophobicContact CG1-CB 4.46Å; V67-K92 HydrophobicContact CG1-CG 4.37Å; Y69-K92 HydrophobicContact CD1-CG 3.89Å; Y69-K92 HydrophobicContact CE1-CD 4.23Å; Y69-K92 HydrophobicContact CE1-CG 3.56Å |
| 93 | E | 66.1 | Low | 64.4 | Low | 100 Ų | 100 | 90.5 Ų | 90.5 | 47% | 0.467 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 129.8 | 172.8 | -81.2 | 170.2 | -161.4 | 0 | 0 | 109.7 | T68 S70 | T68-E93 PolarHBondContact N-O 2.99Å; T68-E93 PolarHBondContact O-N 3.02Å; T68-E93 VanDerWaalsContact O-O 3.08Å; T68-E93 PolarHBondContact OG1-O 2.83Å; S70-E93 WeakPolarHBondContact CB-OE1 3.43Å; S70-E93 VanDerWaalsContact OG-CD 3.24Å; S70-E93 PolarHBondContact OG-OE1 3.35Å |
| 94 | Y | 69.6 | Low | 65.7 | Low | 57 Ų | 57 | 83.5 Ų | 83.5 | 22% | 0.224 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 111.7 | 174.8 | -62.8 | -80 | 0 | 0 | 0 | 108.4 | R60 Y65 V67 S96 | R60-Y94 HydrophobicContact CB-CE1 4.33Å; R60-Y94 HydrophobicContact CG-CD1 4.37Å; R60-Y94 HydrophobicContact CG-CD2 4.07Å; R60-Y94 HydrophobicContact CG-CE1 4.04Å; R60-Y94 HydrophobicContact CG-CE2 3.74Å; R60-Y94 HydrophobicContact CG-CG 4.37Å; Y65-Y94 HydrophobicContact CD2-CD1 4.07Å; Y65-Y94 HydrophobicContact CD2-CG 4.28Å; Y65-Y94 HydrophobicContact CG-CD1 4.38Å; V67-Y94 HydrophobicContact CG2-CD1 3.78Å; V67-Y94 HydrophobicContact CG2-CE1 3.68Å; Y94-S96 PolarHBondContact O-N 3.02Å |
| 95 | Q | 68.5 | Low | 66.9 | Low | 102 Ų | 102 | 77.9 Ų | 77.9 | 48% | 0.477 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | 138.4 | 178.2 | -72.5 | -166.4 | -22.7 | 0 | 0 | 110.4 | T66 T68 E97 | T66-Q95 PolarHBondContact O-N 2.83Å; T68-Q95 HydrophobicContact CG2-CG 4.08Å; Q95-E97 PolarHBondContact O-N 2.92Å; Q95-E97 VanDerWaalsContact O-N 3.09Å |
| 96 | S | 68.7 | Low | 68.1 | Low | 69 Ų | 69 | 72.9 Ų | 72.9 | 48% | 0.483 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 21 | 178.5 | 67.5 | 0 | 0 | 0 | 0 | 116.4 | Y94 Q99 S100 | Y94-S96 PolarHBondContact O-N 3.02Å; S96-Q99 PolarHBondContact O-N 2.99Å; S96-S100 WeakPolarHBondContact O-CB 3.34Å; S96-S100 PolarHBondContact O-N 3.5Å; S96-S100 PolarHBondContact O-OG 2.71Å |
| 97 | E | 72.7 | Confident | 69.5 | Low | 17 Ų | 17 | 70.3 Ų | 70.3 | 8% | 0.079 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.2 | -53.1 | 175.9 | 174.4 | 170.5 | -147.9 | 0 | 0 | 111.6 | R60 Y65 Q95 Q99 S100 L101 | R60-E97 IonicContact CZ-OE1 2.7Å; R60-E97 IonicContact CZ-OE2 2.64Å; R60-E97 IonicContact NE-OE1 3.11Å; R60-E97 PolarHBondContact NE-OE1 3.33Å; R60-E97 IonicContact NE-OE2 3.62Å; R60-E97 PolarHBondContact NE-OE2 2.9Å; R60-E97 IonicContact NH2-OE1 2.71Å; R60-E97 PolarHBondContact NH2-OE1 2.77Å; R60-E97 IonicContact NH2-OE2 3.32Å; R60-E97 PolarHBondContact NH2-OE2 3.49Å; Y65-E97 HydrophobicContact CD1-CB 4.42Å; Y65-E97 HydrophobicContact CE1-CB 4.22Å; Y65-E97 HydrophobicContact CE1-CG 4.41Å; Y65-E97 HydrophobicContact CE2-CB 4.49Å; Y65-E97 HydrophobicContact CE2-CG 4.11Å; Q95-E97 PolarHBondContact O-N 2.92Å; Q95-E97 VanDerWaalsContact O-N 3.09Å; E97-Q99 VanDerWaalsContact C-N 3.27Å; E97-Q99 PolarHBondContact O-N 2.73Å; E97-S100 PolarHBondContact O-N 3.45Å; E97-L101 HydrophobicContact CG-CD1 3.63Å; E97-L101 HydrophobicContact CG-CG 4.35Å; E97-L101 WeakPolarHBondContact O-CB 3.38Å; E97-L101 WeakPolarHBondContact O-CG 3.41Å; E97-L101 PolarHBondContact O-N 2.95Å |
| 98 | D | 67.9 | Low | 70.6 | Confident | 81 Ų | 81 | 62 Ų | 62 | 43% | 0.433 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.3 | -39.1 | -178.1 | -69.9 | -24.1 | 0 | 0 | 0 | 111.8 | G102 K283 | D98-G102 PolarHBondContact O-N 3.26Å; D98-K283 IonicContact OD1-NZ 3.88Å; D98-K283 IonicContact OD2-NZ 2.81Å; D98-K283 PolarHBondContact OD2-NZ 3.31Å |
| 99 | Q | 68.7 | Low | 71.8 | Confident | 137 Ų | 137 | 56 Ų | 56 | 64% | 0.64 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -74.5 | -39.3 | 179.8 | -167.7 | 170.3 | 8.9 | 0 | 0 | 112.4 | S96 E97 G102 N103 | S96-Q99 PolarHBondContact O-N 2.99Å; E97-Q99 VanDerWaalsContact C-N 3.27Å; E97-Q99 PolarHBondContact O-N 2.73Å; Q99-G102 PolarHBondContact O-N 3.47Å; Q99-N103 WeakPolarHBondContact O-CB 3.38Å; Q99-N103 PolarHBondContact O-N 3.27Å; Q99-N103 PolarHBondContact O-ND2 3.5Å |
| 100 | S | 73.6 | Confident | 73 | Confident | 25 Ų | 25 | 51.7 Ų | 51.7 | 18% | 0.175 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.6 | -41.4 | 177.4 | -56.6 | 0 | 0 | 0 | 0 | 111.3 | S96 E97 N103 L104 Y152 | S96-S100 WeakPolarHBondContact O-CB 3.34Å; S96-S100 PolarHBondContact O-N 3.5Å; S96-S100 PolarHBondContact O-OG 2.71Å; E97-S100 PolarHBondContact O-N 3.45Å; S100-N103 PolarHBondContact O-N 3.4Å; S100-L104 WeakPolarHBondContact O-CB 3.49Å; S100-L104 PolarHBondContact O-N 3Å; S100-Y152 PolarHBondContact O-OH 3.14Å |
| 101 | L | 74.9 | Confident | 74 | Confident | 16 Ų | 16 | 47.4 Ų | 47.4 | 8% | 0.084 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.3 | -46.3 | 173.4 | -73.8 | 170.5 | 0 | 0 | 0 | 111.1 | I55 P56 L59 E97 N103 L104 F105 | I55-L101 HydrophobicContact CG2-CD2 3.8Å; P56-L101 HydrophobicContact CB-CD1 4.04Å; P56-L101 HydrophobicContact CB-CD2 4.39Å; P56-L101 HydrophobicContact CG-CD1 3.99Å; P56-L101 HydrophobicContact CG-CD2 3.95Å; L59-L101 HydrophobicContact CD1-CD2 4.13Å; E97-L101 HydrophobicContact CG-CD1 3.63Å; E97-L101 HydrophobicContact CG-CG 4.35Å; E97-L101 WeakPolarHBondContact O-CB 3.38Å; E97-L101 WeakPolarHBondContact O-CG 3.41Å; E97-L101 PolarHBondContact O-N 2.95Å; L101-N103 VanDerWaalsContact C-N 3.33Å; L101-N103 PolarHBondContact O-N 2.83Å; L101-L104 PolarHBondContact O-N 3.41Å; L101-L104 VanDerWaalsContact O-N 3.15Å; L101-F105 HydrophobicContact CB-CD2 4.34Å; L101-F105 HydrophobicContact CB-CE2 4.06Å; L101-F105 HydrophobicContact CD2-CE2 4.36Å; L101-F105 WeakPolarHBondContact O-CD2 3.39Å; L101-F105 WeakPolarHBondContact O-CG 3.48Å; L101-F105 PolarHBondContact O-N 2.71Å |
| 102 | G | 73 | Confident | 74.6 | Confident | 6 Ų | 6 | 46.8 Ų | 46.8 | 6% | 0.062 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.2 | -45.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D98 Q99 L104 F105 A106 | D98-G102 PolarHBondContact O-N 3.26Å; Q99-G102 PolarHBondContact O-N 3.47Å; G102-L104 PolarHBondContact O-N 3.4Å; G102-F105 PolarHBondContact O-N 3.28Å; G102-A106 VanDerWaalsContact O-CB 3.3Å; G102-A106 WeakPolarHBondContact O-CB 3.27Å; G102-A106 PolarHBondContact O-N 3.32Å |
| 103 | N | 78.2 | Confident | 75.3 | Confident | 64 Ų | 64 | 43.7 Ų | 43.7 | 34% | 0.342 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.6 | -41.1 | 176.1 | -72 | -12.5 | 0 | 0 | 0 | 112.4 | Q99 S100 L101 A106 S107 | Q99-N103 WeakPolarHBondContact O-CB 3.38Å; Q99-N103 PolarHBondContact O-N 3.27Å; Q99-N103 PolarHBondContact O-ND2 3.5Å; S100-N103 PolarHBondContact O-N 3.4Å; L101-N103 VanDerWaalsContact C-N 3.33Å; L101-N103 PolarHBondContact O-N 2.83Å; N103-A106 PolarHBondContact O-N 3.06Å; N103-S107 WeakPolarHBondContact O-CB 3.28Å; N103-S107 PolarHBondContact O-N 3.26Å |
| 104 | L | 78.5 | Confident | 76 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.5 | -42.1 | 178.1 | -174.5 | 65.5 | 0 | 0 | 0 | 111.5 | I55 L59 S100 L101 G102 S107 Y152 F156 R159 | I55-L104 HydrophobicContact CG2-CD2 3.56Å; L59-L104 HydrophobicContact CD1-CD2 4.35Å; S100-L104 WeakPolarHBondContact O-CB 3.49Å; S100-L104 PolarHBondContact O-N 3Å; L101-L104 PolarHBondContact O-N 3.41Å; L101-L104 VanDerWaalsContact O-N 3.15Å; G102-L104 PolarHBondContact O-N 3.4Å; L104-S107 PolarHBondContact O-OG 3.5Å; L104-Y152 HydrophobicContact CB-CE2 4.33Å; L104-Y152 HydrophobicContact CD2-CE2 4.37Å; L104-F156 VanDerWaalsContact CD1-CA 3.45Å; L104-F156 HydrophobicContact CD1-CB 3.91Å; L104-F156 HydrophobicContact CD1-CD2 3.97Å; L104-F156 HydrophobicContact CD1-CG 4.37Å; L104-R159 HydrophobicContact CD1-CB 4.38Å |
| 105 | F | 75.3 | Confident | 76.4 | Confident | 18 Ų | 18 | 44.4 Ų | 44.4 | 8% | 0.079 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.3 | -39.8 | 176.2 | -69 | -54.8 | 0 | 0 | 0 | 112.6 | I51 V52 L101 G102 P406 | I51-F105 HydrophobicContact CD1-CD1 3.65Å; I51-F105 HydrophobicContact CD1-CE1 3.48Å; I51-F105 VanDerWaalsContact CD1-CE1 3.48Å; I51-F105 HydrophobicContact CG1-CD1 4.4Å; I51-F105 HydrophobicContact CG1-CE1 3.88Å; V52-F105 HydrophobicContact CG2-CE1 3.93Å; V52-F105 HydrophobicContact CG2-CZ 4.25Å; L101-F105 HydrophobicContact CB-CD2 4.34Å; L101-F105 HydrophobicContact CB-CE2 4.06Å; L101-F105 HydrophobicContact CD2-CE2 4.36Å; L101-F105 WeakPolarHBondContact O-CD2 3.39Å; L101-F105 WeakPolarHBondContact O-CG 3.48Å; L101-F105 PolarHBondContact O-N 2.71Å; G102-F105 PolarHBondContact O-N 3.28Å; F105-P406 HydrophobicContact CB-CB 4.33Å; F105-P406 HydrophobicContact CB-CG 4.28Å |
| 106 | A | 79.5 | Confident | 76.8 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -74.4 | -22.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | G102 N103 K108 A109 I110 I407 | G102-A106 VanDerWaalsContact O-CB 3.3Å; G102-A106 WeakPolarHBondContact O-CB 3.27Å; G102-A106 PolarHBondContact O-N 3.32Å; N103-A106 PolarHBondContact O-N 3.06Å; A106-K108 VanDerWaalsContact C-N 3.33Å; A106-K108 PolarHBondContact O-N 3.48Å; A106-A109 PolarHBondContact O-N 2.9Å; A106-A109 VanDerWaalsContact O-N 3.09Å; A106-I110 HydrophobicContact CB-CD1 4.2Å; A106-I110 WeakPolarHBondContact O-CG1 3.45Å; A106-I110 PolarHBondContact O-N 3.47Å; A106-I407 HydrophobicContact CB-CD1 3.91Å; A106-I407 HydrophobicContact CB-CG1 3.97Å |
| 107 | S | 81.5 | Confident | 77.1 | Confident | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -55 | -40.7 | -173.1 | 66.7 | 0 | 0 | 0 | 0 | 114.4 | N103 L104 V111 R159 | N103-S107 WeakPolarHBondContact O-CB 3.28Å; N103-S107 PolarHBondContact O-N 3.26Å; L104-S107 PolarHBondContact O-OG 3.5Å; S107-V111 WeakPolarHBondContact O-CG2 3.4Å; S107-V111 PolarHBondContact O-N 2.95Å; S107-R159 WeakPolarHBondContact OG-CG 3.47Å |
| 108 | K | 80.2 | Confident | 77.3 | Confident | 11 Ų | 11 | 44 Ų | 44 | 5% | 0.048 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.9 | -52.5 | 175.6 | 177.4 | -174.2 | 169.3 | -175.1 | 0 | 110.7 | D44 Y48 A106 I110 V111 Q112 R159 Q162 | D44-K108 IonicContact OD1-NZ 2.75Å; D44-K108 PolarHBondContact OD1-NZ 2.95Å; D44-K108 IonicContact OD2-NZ 3.5Å; D44-K108 PolarHBondContact OD2-NZ 3.43Å; Y48-K108 HydrophobicContact CD2-CD 4.4Å; A106-K108 VanDerWaalsContact C-N 3.33Å; A106-K108 PolarHBondContact O-N 3.48Å; K108-I110 VanDerWaalsContact C-N 3.3Å; K108-I110 PolarHBondContact O-N 3.21Å; K108-V111 PolarHBondContact O-N 3.33Å; K108-V111 VanDerWaalsContact O-N 3.15Å; K108-Q112 HydrophobicContact CG-CG 4.46Å; K108-Q112 WeakPolarHBondContact O-CG 3.48Å; K108-Q112 PolarHBondContact O-N 2.95Å; K108-R159 HydrophobicContact CB-CG 4.4Å; K108-Q162 HydrophobicContact CD-CB 4.25Å; K108-Q162 VanDerWaalsContact CE-O 3.3Å; K108-Q162 WeakPolarHBondContact CE-O 3.12Å; K108-Q162 WeakPolarHBondContact CG-O 3.42Å |
| 109 | A | 79.9 | Confident | 77.4 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 3% | 0.033 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.1 | -36.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112 | A106 Q112 L113 S399 A403 | A106-A109 PolarHBondContact O-N 2.9Å; A106-A109 VanDerWaalsContact O-N 3.09Å; A109-Q112 PolarHBondContact O-N 3.31Å; A109-L113 WeakPolarHBondContact O-CB 3.34Å; A109-L113 PolarHBondContact O-N 2.9Å; A109-S399 WeakPolarHBondContact CB-O 3.2Å; A109-S399 WeakPolarHBondContact O-CB 3.44Å; A109-A403 HydrophobicContact CB-CB 4.01Å |
| 110 | I | 83 | Confident | 77.3 | Confident | 75 Ų | 75 | 34.8 Ų | 34.8 | 39% | 0.385 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.5 | -44.3 | 174.8 | -66.9 | 167.3 | 0 | 0 | 0 | 111.2 | A106 K108 L113 L114 A403 | A106-I110 HydrophobicContact CB-CD1 4.2Å; A106-I110 WeakPolarHBondContact O-CG1 3.45Å; A106-I110 PolarHBondContact O-N 3.47Å; K108-I110 VanDerWaalsContact C-N 3.3Å; K108-I110 PolarHBondContact O-N 3.21Å; I110-L113 WeakPolarHBondContact O-CB 3.32Å; I110-L113 PolarHBondContact O-N 2.91Å; I110-L114 WeakPolarHBondContact O-CG 3.38Å; I110-L114 PolarHBondContact O-N 3.47Å; I110-A403 HydrophobicContact CG1-CB 3.89Å |
| 111 | V | 82.1 | Confident | 77.1 | Confident | 49 Ų | 49 | 36.9 Ų | 36.9 | 30% | 0.297 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.7 | -44 | 177.9 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | S107 K108 L113 L114 V115 S160 | S107-V111 WeakPolarHBondContact O-CG2 3.4Å; S107-V111 PolarHBondContact O-N 2.95Å; K108-V111 PolarHBondContact O-N 3.33Å; K108-V111 VanDerWaalsContact O-N 3.15Å; V111-L113 VanDerWaalsContact C-N 3.32Å; V111-L113 PolarHBondContact O-N 3.04Å; V111-L114 PolarHBondContact O-N 3.37Å; V111-L114 VanDerWaalsContact O-N 3.08Å; V111-V115 HydrophobicContact CG1-CG2 4.06Å; V111-V115 WeakPolarHBondContact O-CG2 3.42Å; V111-V115 PolarHBondContact O-N 2.96Å; V111-S160 WeakPolarHBondContact CG1-O 3.36Å |
| 112 | Q | 78.7 | Confident | 76.7 | Confident | 26 Ų | 26 | 40.1 Ų | 40.1 | 12% | 0.121 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.4 | -41 | 176 | -71.9 | -173.3 | -53.9 | 0 | 0 | 111.9 | K108 A109 L114 V115 N116 D163 S399 | K108-Q112 HydrophobicContact CG-CG 4.46Å; K108-Q112 WeakPolarHBondContact O-CG 3.48Å; K108-Q112 PolarHBondContact O-N 2.95Å; A109-Q112 PolarHBondContact O-N 3.31Å; Q112-L114 PolarHBondContact O-N 2.82Å; Q112-V115 PolarHBondContact O-N 3.39Å; Q112-N116 WeakPolarHBondContact O-CB 3.49Å; Q112-N116 PolarHBondContact O-N 3.43Å; Q112-N116 PolarHBondContact O-ND2 2.86Å; Q112-N116 VanDerWaalsContact O-ND2 3.17Å; Q112-N116 PolarHBondContact O-OD1 3.32Å; Q112-D163 PolarHBondContact NE2-OD1 3.44Å; Q112-S399 WeakPolarHBondContact CB-OG 3.41Å |
| 113 | L | 80.9 | Confident | 76.6 | Confident | 57 Ų | 57 | 40.1 Ų | 40.1 | 30% | 0.298 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -57 | -36.3 | 174.9 | -161.6 | 93.1 | 0 | 0 | 0 | 112.4 | A109 I110 V111 P117 I396 L400 | A109-L113 WeakPolarHBondContact O-CB 3.34Å; A109-L113 PolarHBondContact O-N 2.9Å; I110-L113 WeakPolarHBondContact O-CB 3.32Å; I110-L113 PolarHBondContact O-N 2.91Å; V111-L113 VanDerWaalsContact C-N 3.32Å; V111-L113 PolarHBondContact O-N 3.04Å; L113-P117 WeakPolarHBondContact O-CD 3.33Å; L113-I396 HydrophobicContact CD1-CG2 3.99Å; L113-L400 HydrophobicContact CD1-CB 3.94Å; L113-L400 HydrophobicContact CD1-CD1 4.12Å |
| 114 | L | 81.1 | Confident | 76 | Confident | 115 Ų | 115 | 38.4 Ų | 38.4 | 60% | 0.602 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -79.3 | -36.3 | 178.6 | -66.7 | 172.8 | 0 | 0 | 0 | 113 | I110 V111 Q112 F118 | I110-L114 WeakPolarHBondContact O-CG 3.38Å; I110-L114 PolarHBondContact O-N 3.47Å; V111-L114 PolarHBondContact O-N 3.37Å; V111-L114 VanDerWaalsContact O-N 3.08Å; Q112-L114 PolarHBondContact O-N 2.82Å; L114-F118 VanDerWaalsContact O-CD2 3.26Å; L114-F118 WeakPolarHBondContact O-CD2 3.26Å; L114-F118 WeakPolarHBondContact O-CE2 3.49Å |
| 115 | V | 78.3 | Confident | 75.5 | Confident | 58 Ų | 58 | 45.9 Ų | 45.9 | 35% | 0.352 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -84.7 | -37 | -174.6 | 174.5 | 0 | 0 | 0 | 0 | 112.1 | V111 Q112 P117 F118 S119 | V111-V115 HydrophobicContact CG1-CG2 4.06Å; V111-V115 WeakPolarHBondContact O-CG2 3.42Å; V111-V115 PolarHBondContact O-N 2.96Å; Q112-V115 PolarHBondContact O-N 3.39Å; V115-P117 VanDerWaalsContact C-CD 3.48Å; V115-F118 PolarHBondContact O-N 3.14Å; V115-S119 PolarHBondContact O-N 3.05Å |
| 116 | N | 76.9 | Confident | 75.1 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -55 | -42.4 | -172.9 | -73.6 | -14.1 | 0 | 0 | 0 | 114.5 | Q112 F118 S119 G120 D395 I396 | Q112-N116 WeakPolarHBondContact O-CB 3.49Å; Q112-N116 PolarHBondContact O-N 3.43Å; Q112-N116 PolarHBondContact O-ND2 2.86Å; Q112-N116 VanDerWaalsContact O-ND2 3.17Å; Q112-N116 PolarHBondContact O-OD1 3.32Å; N116-F118 PolarHBondContact O-N 3.4Å; N116-S119 WeakPolarHBondContact CA-OG 3.46Å; N116-S119 PolarHBondContact O-N 3.23Å; N116-S119 VanDerWaalsContact O-N 3.17Å; N116-S119 PolarHBondContact O-OG 2.99Å; N116-G120 PolarHBondContact O-N 2.76Å; N116-D395 VanDerWaalsContact ND2-CB 3.26Å; N116-D395 WeakPolarHBondContact ND2-CB 3.26Å; N116-I396 HydrophobicContact CB-CD1 4.18Å; N116-I396 HydrophobicContact CB-CG1 3.6Å |
| 117 | P | 75.2 | Confident | 74.3 | Confident | 24 Ų | 24 | 48.9 Ų | 48.9 | 16% | 0.156 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.9 | -32.8 | 176.5 | -24.2 | 32.8 | 0 | 0 | 0 | 113.9 | L113 V115 I396 | L113-P117 WeakPolarHBondContact O-CD 3.33Å; V115-P117 VanDerWaalsContact C-CD 3.48Å; P117-I396 HydrophobicContact CG-CD1 3.83Å |
| 118 | F | 76.1 | Confident | 73.6 | Confident | 152 Ų | 152 | 50.2 Ų | 50.2 | 67% | 0.667 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -83.1 | -36.3 | 178.2 | -58.5 | -79.6 | 0 | 0 | 0 | 111.7 | L114 V115 N116 G120 M121 L122 | L114-F118 VanDerWaalsContact O-CD2 3.26Å; L114-F118 WeakPolarHBondContact O-CD2 3.26Å; L114-F118 WeakPolarHBondContact O-CE2 3.49Å; V115-F118 PolarHBondContact O-N 3.14Å; N116-F118 PolarHBondContact O-N 3.4Å; F118-G120 PolarHBondContact O-N 2.79Å; F118-M121 PolarHBondContact O-N 2.93Å; F118-L122 WeakPolarHBondContact O-CB 3.37Å; F118-L122 PolarHBondContact O-N 3.31Å |
| 119 | S | 70.7 | Confident | 73.1 | Confident | 24 Ų | 24 | 53.8 Ų | 53.8 | 17% | 0.168 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.4 | -44.2 | 179.7 | 78.5 | 0 | 0 | 0 | 0 | 112 | V115 N116 M121 L122 I123 | V115-S119 PolarHBondContact O-N 3.05Å; N116-S119 WeakPolarHBondContact CA-OG 3.46Å; N116-S119 PolarHBondContact O-N 3.23Å; N116-S119 VanDerWaalsContact O-N 3.17Å; N116-S119 PolarHBondContact O-OG 2.99Å; S119-M121 VanDerWaalsContact C-N 3.35Å; S119-M121 PolarHBondContact O-N 2.9Å; S119-L122 WeakPolarHBondContact O-CB 3.38Å; S119-L122 PolarHBondContact O-N 2.75Å; S119-L122 VanDerWaalsContact O-N 3.15Å; S119-I123 WeakPolarHBondContact O-CB 3.21Å; S119-I123 WeakPolarHBondContact O-CD1 3.29Å; S119-I123 WeakPolarHBondContact O-CG1 3.34Å; S119-I123 PolarHBondContact O-N 3.38Å |
| 120 | G | 66.2 | Low | 72.7 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.2 | -45 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | N116 F118 L122 I123 D124 | N116-G120 PolarHBondContact O-N 2.76Å; F118-G120 PolarHBondContact O-N 2.79Å; G120-L122 VanDerWaalsContact C-N 3.33Å; G120-L122 PolarHBondContact O-N 3.43Å; G120-I123 PolarHBondContact O-N 2.83Å; G120-D124 WeakPolarHBondContact O-CB 3.33Å; G120-D124 PolarHBondContact O-N 2.95Å; G120-D124 VanDerWaalsContact O-OD2 3.1Å |
| 121 | M | 68.2 | Low | 72.1 | Confident | 70 Ų | 70 | 54.2 Ų | 54.2 | 35% | 0.345 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.6 | -36.3 | 177 | -165.9 | -176.5 | -63.6 | 0 | 0 | 112.5 | F118 S119 R125 N250 | F118-M121 PolarHBondContact O-N 2.93Å; S119-M121 VanDerWaalsContact C-N 3.35Å; S119-M121 PolarHBondContact O-N 2.9Å; M121-R125 PolarHBondContact O-N 3.11Å; M121-N250 HydrophobicContact CE-CB 4.19Å |
| 122 | L | 68.5 | Low | 71.6 | Confident | 83 Ų | 83 | 52.5 Ų | 52.5 | 44% | 0.435 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -70.4 | -44.3 | 178.1 | -169.4 | 69.6 | 0 | 0 | 0 | 111.6 | F118 S119 G120 D124 R125 I126 | F118-L122 WeakPolarHBondContact O-CB 3.37Å; F118-L122 PolarHBondContact O-N 3.31Å; S119-L122 WeakPolarHBondContact O-CB 3.38Å; S119-L122 PolarHBondContact O-N 2.75Å; S119-L122 VanDerWaalsContact O-N 3.15Å; G120-L122 VanDerWaalsContact C-N 3.33Å; G120-L122 PolarHBondContact O-N 3.43Å; L122-D124 VanDerWaalsContact C-N 3.35Å; L122-R125 PolarHBondContact O-N 3.06Å; L122-I126 HydrophobicContact CD1-CD1 3.35Å; L122-I126 HydrophobicContact CD1-CG1 4.07Å; L122-I126 HydrophobicContact CG-CD1 4.03Å; L122-I126 PolarHBondContact O-N 2.99Å |
| 123 | I | 69.4 | Low | 71.3 | Confident | 6 Ų | 6 | 53.2 Ų | 53.2 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 177.6 | -72.3 | 164.7 | 0 | 0 | 0 | 110.1 | S119 G120 R125 G127 Y128 P131 A168 | S119-I123 WeakPolarHBondContact O-CB 3.21Å; S119-I123 WeakPolarHBondContact O-CD1 3.29Å; S119-I123 WeakPolarHBondContact O-CG1 3.34Å; S119-I123 PolarHBondContact O-N 3.38Å; G120-I123 PolarHBondContact O-N 2.83Å; I123-R125 PolarHBondContact O-N 2.71Å; I123-G127 VanDerWaalsContact O-CA 3.24Å; I123-G127 WeakPolarHBondContact O-CA 3.37Å; I123-G127 PolarHBondContact O-N 3.23Å; I123-Y128 HydrophobicContact CG2-CD1 3.27Å; I123-Y128 HydrophobicContact CG2-CD2 4.4Å; I123-Y128 HydrophobicContact CG2-CE1 3.13Å; I123-Y128 HydrophobicContact CG2-CE2 4.25Å; I123-Y128 HydrophobicContact CG2-CG 3.94Å; I123-P131 HydrophobicContact CG1-CB 4.08Å; I123-P131 HydrophobicContact CG1-CG 3.91Å; I123-A168 HydrophobicContact CD1-CB 4.39Å |
| 124 | D | 65.5 | Low | 71.1 | Confident | 28 Ų | 28 | 55.1 Ų | 55.1 | 15% | 0.15 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.5 | -25.6 | 179.5 | -68.6 | -31.6 | 0 | 0 | 0 | 111.9 | G120 L122 R245 V386 G388 S389 | G120-D124 WeakPolarHBondContact O-CB 3.33Å; G120-D124 PolarHBondContact O-N 2.95Å; G120-D124 VanDerWaalsContact O-OD2 3.1Å; L122-D124 VanDerWaalsContact C-N 3.35Å; D124-R245 WeakPolarHBondContact O-CD 3.35Å; D124-V386 HydrophobicContact CB-CG1 3.86Å; D124-V386 WeakPolarHBondContact OD2-CB 3.18Å; D124-V386 WeakPolarHBondContact OD2-CG1 3.42Å; D124-G388 VanDerWaalsContact OD1-CA 3.26Å; D124-G388 WeakPolarHBondContact OD1-CA 2.93Å; D124-G388 PolarHBondContact OD1-N 3.24Å; D124-S389 WeakPolarHBondContact OD2-CB 3.45Å; D124-S389 PolarHBondContact OD2-N 3.4Å; D124-S389 PolarHBondContact OD2-OG 2.96Å |
| 125 | R | 67.9 | Low | 70.7 | Confident | 158 Ų | 158 | 50 Ų | 50 | 60% | 0.596 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -90.4 | -44.3 | 177.5 | -81.5 | -169.4 | -178.6 | 177.5 | 5.1 | 115.4 | M121 L122 I123 R245 | M121-R125 PolarHBondContact O-N 3.11Å; L122-R125 PolarHBondContact O-N 3.06Å; I123-R125 PolarHBondContact O-N 2.71Å; R125-R245 VanDerWaalsContact C-NH1 3.29Å; R125-R245 WeakPolarHBondContact O-CD 3.22Å; R125-R245 PolarHBondContact O-NH1 2.76Å |
| 126 | I | 66.9 | Low | 70.6 | Confident | 76 Ų | 76 | 47.6 Ų | 47.6 | 39% | 0.39 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -102 | -19.6 | -169.6 | -56.5 | -174.7 | 0 | 0 | 0 | 111.3 | L122 I130 R245 | L122-I126 HydrophobicContact CD1-CD1 3.35Å; L122-I126 HydrophobicContact CD1-CG1 4.07Å; L122-I126 HydrophobicContact CG-CD1 4.03Å; L122-I126 PolarHBondContact O-N 2.99Å; I126-I130 HydrophobicContact CG2-CB 4.45Å; I126-I130 HydrophobicContact CG2-CD1 3.84Å; I126-R245 VanDerWaalsContact CA-NH1 3.33Å; I126-R245 PolarHBondContact O-NH1 3.16Å |
| 127 | G | 63 | Low | 70.7 | Confident | 4 Ų | 4 | 51.3 Ų | 51.3 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | trans | 95.3 | 177.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | I123 P131 R245 | I123-G127 VanDerWaalsContact O-CA 3.24Å; I123-G127 WeakPolarHBondContact O-CA 3.37Å; I123-G127 PolarHBondContact O-N 3.23Å; G127-P131 WeakPolarHBondContact O-CD 3.36Å; G127-P131 WeakPolarHBondContact O-CG 3.43Å; G127-R245 VanDerWaalsContact N-NH1 3.19Å | ||
| 128 | Y | 66.9 | Low | 70.8 | Confident | 31 Ų | 31 | 52.2 Ų | 52.2 | 12% | 0.122 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -89.4 | -22.2 | -165.3 | -58.4 | -95.6 | 0 | 0 | 0 | 113.8 | I123 M132 A168 M169 N172 | I123-Y128 HydrophobicContact CG2-CD1 3.27Å; I123-Y128 HydrophobicContact CG2-CD2 4.4Å; I123-Y128 HydrophobicContact CG2-CE1 3.13Å; I123-Y128 HydrophobicContact CG2-CE2 4.25Å; I123-Y128 HydrophobicContact CG2-CG 3.94Å; Y128-M132 WeakPolarHBondContact O-CB 3.41Å; Y128-M132 PolarHBondContact O-N 2.91Å; Y128-A168 HydrophobicContact CD1-CB 4.06Å; Y128-A168 VanDerWaalsContact CE1-C 3.45Å; Y128-A168 HydrophobicContact CE1-CB 3.74Å; Y128-A168 WeakPolarHBondContact CE1-O 3.45Å; Y128-M169 HydrophobicContact CD1-CB 4.05Å; Y128-M169 HydrophobicContact CD1-CG 4.49Å; Y128-M169 HydrophobicContact CG-CB 4.28Å; Y128-M169 HydrophobicContact CG-CG 4.22Å; Y128-N172 HydrophobicContact CD2-CB 4.28Å; Y128-N172 WeakPolarHBondContact CD2-ND2 3.33Å; Y128-N172 HydrophobicContact CE1-CB 4.12Å; Y128-N172 HydrophobicContact CE2-CB 3.66Å; Y128-N172 VanDerWaalsContact CE2-CG 3.42Å; Y128-N172 WeakPolarHBondContact CE2-ND2 3.4Å |
| 129 | E | 68.9 | Low | 70.9 | Confident | 87 Ų | 87 | 45 Ų | 45 | 41% | 0.407 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67.8 | -47.5 | -171.9 | -60.7 | 154.9 | 178.4 | 0 | 0 | 112.7 | I133 I233 R239 | E129-I133 WeakPolarHBondContact O-CG1 3.45Å; E129-I133 PolarHBondContact O-N 3.35Å; E129-I233 HydrophobicContact CB-CD1 4.32Å; E129-R239 IonicContact OE2-NH2 2.74Å; E129-R239 PolarHBondContact OE2-NH2 2.98Å |
| 130 | I | 71.6 | Confident | 71.5 | Confident | 70 Ų | 70 | 47.2 Ų | 47.2 | 36% | 0.359 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -70.5 | -48.6 | -175.5 | -64.9 | 171.7 | 0 | 0 | 0 | 111.2 | I126 M132 I133 I134 | I126-I130 HydrophobicContact CG2-CB 4.45Å; I126-I130 HydrophobicContact CG2-CD1 3.84Å; I130-M132 VanDerWaalsContact C-N 3.27Å; I130-M132 PolarHBondContact O-N 3.15Å; I130-I133 PolarHBondContact O-N 3.04Å; I130-I134 HydrophobicContact CG2-CD1 3.92Å; I130-I134 WeakPolarHBondContact O-CG1 3.27Å; I130-I134 PolarHBondContact O-N 3.25Å; I130-I134 VanDerWaalsContact O-N 3.08Å |
| 131 | P | 70.5 | Confident | 72.3 | Confident | 17 Ų | 17 | 49.7 Ų | 49.7 | 11% | 0.11 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.2 | -38.8 | 174.8 | -27.1 | 37.2 | 0 | 0 | 0 | 113.2 | I123 G127 I134 G135 | I123-P131 HydrophobicContact CG1-CB 4.08Å; I123-P131 HydrophobicContact CG1-CG 3.91Å; G127-P131 WeakPolarHBondContact O-CD 3.36Å; G127-P131 WeakPolarHBondContact O-CG 3.43Å; P131-I134 PolarHBondContact O-N 3.5Å; P131-G135 PolarHBondContact O-N 2.94Å |
| 132 | M | 71.9 | Confident | 73 | Confident | 14 Ų | 14 | 46.4 Ų | 46.4 | 7% | 0.069 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65 | -41.7 | 178.3 | -175 | 179.8 | 60 | 0 | 0 | 112.5 | I36 Y128 I130 I134 G135 L136 S165 M169 V229 | I36-M132 HydrophobicContact CG2-CE 4.36Å; I36-M132 HydrophobicContact CG2-SD 3.97Å; Y128-M132 WeakPolarHBondContact O-CB 3.41Å; Y128-M132 PolarHBondContact O-N 2.91Å; I130-M132 VanDerWaalsContact C-N 3.27Å; I130-M132 PolarHBondContact O-N 3.15Å; M132-I134 VanDerWaalsContact C-N 3.34Å; M132-G135 PolarHBondContact O-N 3.12Å; M132-L136 HydrophobicContact CG-CD1 4.3Å; M132-L136 PolarHBondContact O-N 2.82Å; M132-S165 PolarHBondContact N-OG 2.91Å; M132-M169 HydrophobicContact CE-CE 3.69Å; M132-M169 HydrophobicContact CE-SD 3.85Å; M132-M169 HydrophobicContact SD-CE 3.21Å; M132-M169 WeakPolarHBondContact SD-CE 3.43Å; M132-M169 HydrophobicContact SD-SD 3.85Å; M132-V229 HydrophobicContact CE-CB 4.13Å; M132-V229 HydrophobicContact CE-CG1 3.52Å; M132-V229 HydrophobicContact CE-CG2 3.46Å; M132-V229 VanDerWaalsContact CE-CG2 3.46Å; M132-V229 HydrophobicContact SD-CG2 4.12Å |
| 133 | I | 73.8 | Confident | 73.7 | Confident | 41 Ų | 41 | 42.4 Ų | 42.4 | 21% | 0.21 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62 | -45.2 | 174.7 | -68.2 | 164.5 | 0 | 0 | 0 | 110.4 | E129 I130 G135 L136 V137 V229 I233 | E129-I133 WeakPolarHBondContact O-CG1 3.45Å; E129-I133 PolarHBondContact O-N 3.35Å; I130-I133 PolarHBondContact O-N 3.04Å; I133-G135 VanDerWaalsContact C-N 3.32Å; I133-G135 PolarHBondContact O-N 3.38Å; I133-L136 PolarHBondContact O-N 2.99Å; I133-V137 HydrophobicContact CG2-CG2 4.19Å; I133-V137 WeakPolarHBondContact O-CG2 3.35Å; I133-V137 PolarHBondContact O-N 3.14Å; I133-V229 HydrophobicContact CG1-CG1 3.8Å; I133-I233 HydrophobicContact CD1-CD1 3.31Å; I133-I233 HydrophobicContact CG1-CD1 3.93Å |
| 134 | I | 75.4 | Confident | 74.4 | Confident | 96 Ų | 96 | 43.5 Ų | 43.5 | 49% | 0.492 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -58.6 | -47.8 | 178.5 | -66.1 | 168.5 | 0 | 0 | 0 | 109.7 | I130 P131 M132 L136 V137 V138 | I130-I134 HydrophobicContact CG2-CD1 3.92Å; I130-I134 WeakPolarHBondContact O-CG1 3.27Å; I130-I134 PolarHBondContact O-N 3.25Å; I130-I134 VanDerWaalsContact O-N 3.08Å; P131-I134 PolarHBondContact O-N 3.5Å; M132-I134 VanDerWaalsContact C-N 3.34Å; I134-L136 PolarHBondContact O-N 2.66Å; I134-V137 PolarHBondContact O-N 2.79Å; I134-V138 HydrophobicContact CG2-CG2 4.3Å; I134-V138 WeakPolarHBondContact O-CB 3.47Å; I134-V138 VanDerWaalsContact O-CG2 3.23Å; I134-V138 WeakPolarHBondContact O-CG2 3.3Å; I134-V138 PolarHBondContact O-N 2.77Å |
| 135 | G | 73.7 | Confident | 75.3 | Confident | 8 Ų | 8 | 44.8 Ų | 44.8 | 8% | 0.082 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.2 | -47 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | P131 M132 I133 V138 M139 | P131-G135 PolarHBondContact O-N 2.94Å; M132-G135 PolarHBondContact O-N 3.12Å; I133-G135 VanDerWaalsContact C-N 3.32Å; I133-G135 PolarHBondContact O-N 3.38Å; G135-V138 PolarHBondContact O-N 2.89Å; G135-M139 WeakPolarHBondContact O-CB 3.08Å; G135-M139 PolarHBondContact O-N 2.79Å |
| 136 | L | 74.6 | Confident | 75.9 | Confident | 8 Ų | 8 | 37.3 Ų | 37.3 | 4% | 0.042 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.2 | -41.4 | 178.2 | -78.1 | 168 | 0 | 0 | 0 | 113 | A40 M132 I133 I134 V138 M139 F140 V229 | A40-L136 HydrophobicContact CB-CD2 4.35Å; M132-L136 HydrophobicContact CG-CD1 4.3Å; M132-L136 PolarHBondContact O-N 2.82Å; I133-L136 PolarHBondContact O-N 2.99Å; I134-L136 PolarHBondContact O-N 2.66Å; L136-V138 VanDerWaalsContact C-N 3.32Å; L136-V138 PolarHBondContact O-N 3.36Å; L136-M139 PolarHBondContact O-N 3.35Å; L136-F140 WeakPolarHBondContact O-CB 3.32Å; L136-F140 PolarHBondContact O-N 3.05Å; L136-V229 HydrophobicContact CD1-CB 4.45Å; L136-V229 HydrophobicContact CD1-CG2 3.67Å |
| 137 | V | 79 | Confident | 76.8 | Confident | 80 Ų | 80 | 33.9 Ų | 33.9 | 49% | 0.485 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.2 | -42.1 | 176.6 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | I133 I134 S141 | I133-V137 HydrophobicContact CG2-CG2 4.19Å; I133-V137 WeakPolarHBondContact O-CG2 3.35Å; I133-V137 PolarHBondContact O-N 3.14Å; I134-V137 PolarHBondContact O-N 2.79Å; V137-S141 WeakPolarHBondContact O-CB 3.42Å; V137-S141 PolarHBondContact O-N 3.4Å; V137-S141 PolarHBondContact O-OG 2.98Å |
| 138 | V | 78.3 | Confident | 77.8 | Confident | 43 Ų | 43 | 40.2 Ų | 40.2 | 26% | 0.261 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.4 | -45.1 | 177.4 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | I134 G135 L136 F140 S141 S142 L161 | I134-V138 HydrophobicContact CG2-CG2 4.3Å; I134-V138 WeakPolarHBondContact O-CB 3.47Å; I134-V138 VanDerWaalsContact O-CG2 3.23Å; I134-V138 WeakPolarHBondContact O-CG2 3.3Å; I134-V138 PolarHBondContact O-N 2.77Å; G135-V138 PolarHBondContact O-N 2.89Å; L136-V138 VanDerWaalsContact C-N 3.32Å; L136-V138 PolarHBondContact O-N 3.36Å; V138-F140 PolarHBondContact O-N 3.23Å; V138-S141 PolarHBondContact O-N 2.78Å; V138-S142 VanDerWaalsContact O-CB 3.28Å; V138-S142 WeakPolarHBondContact O-CB 3.21Å; V138-S142 PolarHBondContact O-N 2.92Å; V138-L161 HydrophobicContact CG1-CB 4.27Å; V138-L161 WeakPolarHBondContact CG1-O 3.35Å |
| 139 | M | 77.8 | Confident | 78.5 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.6 | -45.8 | 176.7 | -174.7 | -172.7 | -70.6 | 0 | 0 | 111.7 | L43 D44 L47 G135 L136 T143 T164 | L43-M139 HydrophobicContact CB-SD 3.9Å; D44-M139 HydrophobicContact CB-CE 3.66Å; L47-M139 HydrophobicContact CD1-CG 3.82Å; L47-M139 HydrophobicContact CD1-SD 4.1Å; G135-M139 WeakPolarHBondContact O-CB 3.08Å; G135-M139 PolarHBondContact O-N 2.79Å; L136-M139 PolarHBondContact O-N 3.35Å; M139-T143 VanDerWaalsContact O-CB 3.31Å; M139-T143 WeakPolarHBondContact O-CB 3.44Å; M139-T143 PolarHBondContact O-N 3.46Å; M139-T143 PolarHBondContact O-OG1 2.91Å; M139-T164 HydrophobicContact CE-CG2 3.34Å; M139-T164 WeakPolarHBondContact CE-OG1 3.27Å |
| 140 | F | 83.3 | Confident | 79.1 | Confident | 72 Ų | 72 | 42.3 Ų | 42.3 | 32% | 0.316 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -57.9 | -50.5 | 175.2 | 171.6 | -97.6 | 0 | 0 | 0 | 111.3 | L136 V138 T143 A144 S219 L223 | L136-F140 WeakPolarHBondContact O-CB 3.32Å; L136-F140 PolarHBondContact O-N 3.05Å; V138-F140 PolarHBondContact O-N 3.23Å; F140-T143 PolarHBondContact O-N 3.3Å; F140-A144 WeakPolarHBondContact O-CB 3.5Å; F140-A144 PolarHBondContact O-N 3.34Å; F140-S219 WeakPolarHBondContact CD2-O 3.06Å; F140-S219 VanDerWaalsContact CD2-OG 3.23Å; F140-S219 WeakPolarHBondContact CD2-OG 3.26Å; F140-S219 WeakPolarHBondContact CE2-OG 3.44Å; F140-L223 HydrophobicContact CD2-CB 4.21Å; F140-L223 HydrophobicContact CE2-CB 4.13Å; F140-L223 HydrophobicContact CE2-CD1 4.33Å |
| 141 | S | 82.9 | Confident | 79.6 | Confident | 52 Ų | 52 | 41.5 Ų | 41.5 | 36% | 0.364 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.4 | -46.6 | -177.2 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | V137 V138 T143 A144 I145 | V137-S141 WeakPolarHBondContact O-CB 3.42Å; V137-S141 PolarHBondContact O-N 3.4Å; V137-S141 PolarHBondContact O-OG 2.98Å; V138-S141 PolarHBondContact O-N 2.78Å; S141-T143 VanDerWaalsContact C-N 3.34Å; S141-T143 PolarHBondContact O-N 3.4Å; S141-A144 PolarHBondContact O-N 3.46Å; S141-I145 VanDerWaalsContact O-CG1 3.23Å; S141-I145 WeakPolarHBondContact O-CG1 3.44Å; S141-I145 PolarHBondContact O-N 3.09Å |
| 142 | S | 83.4 | Confident | 80.1 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.5 | -46.2 | 176 | 162.8 | 0 | 0 | 0 | 0 | 111.6 | V138 A144 I145 F146 A158 Q162 | V138-S142 VanDerWaalsContact O-CB 3.28Å; V138-S142 WeakPolarHBondContact O-CB 3.21Å; V138-S142 PolarHBondContact O-N 2.92Å; S142-A144 VanDerWaalsContact C-N 3.32Å; S142-A144 PolarHBondContact O-N 2.92Å; S142-I145 PolarHBondContact O-N 2.96Å; S142-F146 PolarHBondContact O-N 3.42Å; S142-A158 WeakPolarHBondContact CB-O 3.2Å; S142-A158 PolarHBondContact OG-O 2.93Å; S142-Q162 WeakPolarHBondContact OG-CG 3.47Å; S142-Q162 PolarHBondContact OG-NE2 2.84Å |
| 143 | T | 82.3 | Confident | 80.5 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.7 | -40.1 | -178.8 | -55.5 | 0 | 0 | 0 | 0 | 111.6 | L47 M139 F140 S141 F146 A147 F215 L218 | L47-T143 HydrophobicContact CD1-CG2 4.44Å; L47-T143 VanDerWaalsContact CD1-OG1 3.24Å; L47-T143 WeakPolarHBondContact CD1-OG1 3.32Å; L47-T143 HydrophobicContact CD2-CG2 3.58Å; L47-T143 WeakPolarHBondContact CD2-OG1 3.46Å; M139-T143 VanDerWaalsContact O-CB 3.31Å; M139-T143 WeakPolarHBondContact O-CB 3.44Å; M139-T143 PolarHBondContact O-N 3.46Å; M139-T143 PolarHBondContact O-OG1 2.91Å; F140-T143 PolarHBondContact O-N 3.3Å; S141-T143 VanDerWaalsContact C-N 3.34Å; S141-T143 PolarHBondContact O-N 3.4Å; T143-F146 WeakPolarHBondContact O-CB 3.43Å; T143-F146 PolarHBondContact O-N 2.9Å; T143-A147 PolarHBondContact O-N 3.41Å; T143-A147 VanDerWaalsContact O-N 3.09Å; T143-F215 HydrophobicContact CG2-CB 4.13Å; T143-F215 WeakPolarHBondContact CG2-O 3.38Å; T143-L218 HydrophobicContact CG2-CB 4.19Å |
| 144 | A | 84.4 | Confident | 80.9 | Confident | 28 Ų | 28 | 46.3 Ų | 46.3 | 23% | 0.231 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.4 | -42.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | F140 S141 S142 F146 A147 L148 | F140-A144 WeakPolarHBondContact O-CB 3.5Å; F140-A144 PolarHBondContact O-N 3.34Å; S141-A144 PolarHBondContact O-N 3.46Å; S142-A144 VanDerWaalsContact C-N 3.32Å; S142-A144 PolarHBondContact O-N 2.92Å; A144-F146 VanDerWaalsContact C-N 3.28Å; A144-F146 PolarHBondContact O-N 2.88Å; A144-A147 WeakPolarHBondContact O-CB 3.33Å; A144-A147 PolarHBondContact O-N 3.25Å; A144-L148 PolarHBondContact O-N 3.47Å |
| 145 | I | 85 | Confident | 81.2 | Confident | 56 Ų | 56 | 41.8 Ų | 41.8 | 29% | 0.287 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.3 | -38.8 | 174.6 | -63.8 | 163.5 | 0 | 0 | 0 | 110.3 | S141 S142 A147 L148 G149 V154 A158 | S141-I145 VanDerWaalsContact O-CG1 3.23Å; S141-I145 WeakPolarHBondContact O-CG1 3.44Å; S141-I145 PolarHBondContact O-N 3.09Å; S142-I145 PolarHBondContact O-N 2.96Å; I145-A147 VanDerWaalsContact C-N 3.34Å; I145-A147 PolarHBondContact O-N 3.21Å; I145-L148 PolarHBondContact O-N 2.79Å; I145-G149 WeakPolarHBondContact O-CA 3.47Å; I145-G149 PolarHBondContact O-N 2.97Å; I145-V154 HydrophobicContact CG2-CG1 3.79Å; I145-A158 HydrophobicContact CB-CB 4.06Å; I145-A158 HydrophobicContact CG2-CB 3.73Å |
| 146 | F | 80.6 | Confident | 81.6 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61 | -41.1 | 176.3 | -122.9 | -78.9 | 0 | 0 | 0 | 112.6 | I51 I55 S142 T143 A144 L148 L155 A158 R159 K211 F215 | I51-F146 HydrophobicContact CG2-CD1 4.41Å; I51-F146 HydrophobicContact CG2-CE1 3.86Å; I51-F146 HydrophobicContact CG2-CZ 4.23Å; I55-F146 HydrophobicContact CD1-CE1 3.84Å; I55-F146 HydrophobicContact CG1-CE1 4.44Å; S142-F146 PolarHBondContact O-N 3.42Å; T143-F146 WeakPolarHBondContact O-CB 3.43Å; T143-F146 PolarHBondContact O-N 2.9Å; A144-F146 VanDerWaalsContact C-N 3.28Å; A144-F146 PolarHBondContact O-N 2.88Å; F146-L148 VanDerWaalsContact C-N 3.3Å; F146-L148 PolarHBondContact O-N 2.81Å; F146-L155 HydrophobicContact CD1-CD2 3.63Å; F146-L155 HydrophobicContact CE1-CB 4.45Å; F146-L155 HydrophobicContact CE1-CD2 3.6Å; F146-L155 WeakPolarHBondContact CE2-O 3.43Å; F146-L155 HydrophobicContact CG-CD2 4.39Å; F146-L155 HydrophobicContact CZ-CB 4.42Å; F146-L155 HydrophobicContact CZ-CD2 4.31Å; F146-A158 HydrophobicContact CD2-CB 3.46Å; F146-A158 VanDerWaalsContact CD2-CB 3.46Å; F146-A158 HydrophobicContact CE2-CB 3.9Å; F146-A158 HydrophobicContact CG-CB 4.27Å; F146-R159 HydrophobicContact CE2-CB 3.67Å; F146-R159 HydrophobicContact CE2-CG 4.38Å; F146-R159 HydrophobicContact CZ-CB 4.08Å; F146-K211 VanDerWaalsContact O-CE 3.27Å; F146-K211 WeakPolarHBondContact O-CE 3.36Å; F146-K211 PolarHBondContact O-NZ 2.82Å; F146-F215 HydrophobicContact CB-CD1 4.01Å; F146-F215 HydrophobicContact CB-CE1 4.31Å; F146-F215 HydrophobicContact CB-CG 4.29Å; F146-F215 HydrophobicContact CD1-CD1 4.35Å; F146-F215 AromaticContact CD1-CE1 3.81Å; F146-F215 HydrophobicContact CD1-CE1 3.81Å; F146-F215 HydrophobicContact CD1-CE2 4.43Å; F146-F215 AromaticContact CD1-CZ 3.87Å; F146-F215 HydrophobicContact CD1-CZ 3.87Å; F146-F215 HydrophobicContact CE1-CE1 4.49Å; F146-F215 HydrophobicContact CE1-CZ 4.44Å; F146-F215 HydrophobicContact CG-CD1 4.4Å; F146-F215 HydrophobicContact CG-CE1 4.23Å |
| 147 | A | 85.3 | Confident | 81.9 | Confident | 4 Ų | 4 | 50.5 Ų | 50.5 | 3% | 0.033 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.7 | -44.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | T143 A144 I145 K211 P212 F215 L216 | T143-A147 PolarHBondContact O-N 3.41Å; T143-A147 VanDerWaalsContact O-N 3.09Å; A144-A147 WeakPolarHBondContact O-CB 3.33Å; A144-A147 PolarHBondContact O-N 3.25Å; I145-A147 VanDerWaalsContact C-N 3.34Å; I145-A147 PolarHBondContact O-N 3.21Å; A147-K211 PolarHBondContact O-NZ 3.07Å; A147-P212 HydrophobicContact CB-CB 4.45Å; A147-F215 HydrophobicContact CB-CB 3.77Å; A147-L216 HydrophobicContact CB-CD2 4.49Å; A147-L216 HydrophobicContact CB-CG 4.26Å |
| 148 | L | 84.8 | Confident | 81.8 | Confident | 137 Ų | 137 | 46.7 Ų | 46.7 | 72% | 0.717 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -88.2 | -18.1 | -173.1 | -58.9 | 175.7 | 0 | 0 | 0 | 114.3 | A144 I145 F146 Q150 | A144-L148 PolarHBondContact O-N 3.47Å; I145-L148 PolarHBondContact O-N 2.79Å; F146-L148 VanDerWaalsContact C-N 3.3Å; F146-L148 PolarHBondContact O-N 2.81Å; L148-Q150 PolarHBondContact O-N 3.07Å |
| 149 | G | 80.6 | Confident | 81.6 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | trans | -66 | 126.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y58 I145 K211 | Y58-G149 PolarHBondContact OH-O 3.13Å; I145-G149 WeakPolarHBondContact O-CA 3.47Å; I145-G149 PolarHBondContact O-N 2.97Å; G149-K211 PolarHBondContact O-NZ 2.82Å | ||
| 150 | Q | 81.1 | Confident | 81.5 | Confident | 159 Ų | 159 | 45.7 Ų | 45.7 | 74% | 0.743 | 25% | 0.249 | S | C | * | . | trans | -110.3 | -1.5 | -177.6 | -68.1 | -176.2 | -17.9 | 0 | 0 | 114.7 | L148 | L148-Q150 PolarHBondContact O-N 3.07Š| ||
| 151 | S | 82.2 | Confident | 80.8 | Confident | 54 Ų | 54 | 45.5 Ų | 45.5 | 38% | 0.378 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -127.8 | 154.6 | 179.5 | 71.9 | 0 | 0 | 0 | 0 | 111.7 | G153 V154 L155 | S151-G153 VanDerWaalsContact C-N 3.26Å; S151-G153 PolarHBondContact O-N 2.98Å; S151-V154 PolarHBondContact O-N 3.31Å; S151-V154 VanDerWaalsContact OG-CG2 3.29Å; S151-V154 WeakPolarHBondContact OG-CG2 3.27Å; S151-V154 PolarHBondContact OG-N 2.64Å; S151-L155 WeakPolarHBondContact O-CG 3.36Å; S151-L155 PolarHBondContact O-N 3.13Å |
| 152 | Y | 81.5 | Confident | 80 | Confident | 68 Ų | 68 | 43.1 Ų | 43.1 | 27% | 0.267 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -54.4 | -43 | 175.8 | 177.9 | -93.5 | 0 | 0 | 0 | 111.8 | L59 S100 L104 V154 L155 F156 | L59-Y152 HydrophobicContact CD1-CD2 3.96Å; L59-Y152 HydrophobicContact CD1-CE2 4.33Å; L59-Y152 HydrophobicContact CD2-CD2 4.09Å; S100-Y152 PolarHBondContact O-OH 3.14Å; L104-Y152 HydrophobicContact CB-CE2 4.33Å; L104-Y152 HydrophobicContact CD2-CE2 4.37Å; Y152-V154 PolarHBondContact O-N 2.87Å; Y152-L155 PolarHBondContact O-N 3.36Å; Y152-F156 HydrophobicContact CE1-CD2 4.49Å; Y152-F156 WeakPolarHBondContact O-CB 3.46Å; Y152-F156 PolarHBondContact O-N 3.18Å |
| 153 | G | 80.6 | Confident | 78.7 | Confident | 47 Ų | 47 | 44.8 Ų | 44.8 | 49% | 0.485 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.4 | -38.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S151 F156 F157 | S151-G153 VanDerWaalsContact C-N 3.26Å; S151-G153 PolarHBondContact O-N 2.98Å; G153-F156 PolarHBondContact O-N 2.87Å; G153-F157 WeakPolarHBondContact O-CB 3.13Å; G153-F157 PolarHBondContact O-N 2.84Å |
| 154 | V | 83.2 | Confident | 77.4 | Confident | 58 Ų | 58 | 45.6 Ų | 45.6 | 35% | 0.352 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -70.2 | -39.5 | 176.7 | 174.1 | 0 | 0 | 0 | 0 | 111 | I145 S151 Y152 F156 F157 A158 | I145-V154 HydrophobicContact CG2-CG1 3.79Å; S151-V154 PolarHBondContact O-N 3.31Å; S151-V154 VanDerWaalsContact OG-CG2 3.29Å; S151-V154 WeakPolarHBondContact OG-CG2 3.27Å; S151-V154 PolarHBondContact OG-N 2.64Å; Y152-V154 PolarHBondContact O-N 2.87Å; V154-F156 VanDerWaalsContact C-N 3.35Å; V154-F157 PolarHBondContact O-N 3.11Å; V154-A158 VanDerWaalsContact O-CB 3.3Å; V154-A158 WeakPolarHBondContact O-CB 3.3Å; V154-A158 PolarHBondContact O-N 3.14Å |
| 155 | L | 81 | Confident | 75.9 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.2 | -40.3 | 175.5 | -66.5 | 168.2 | 0 | 0 | 0 | 111.3 | I55 Y58 L59 F146 S151 Y152 R159 | I55-L155 HydrophobicContact CD1-CD1 3.97Å; I55-L155 HydrophobicContact CD1-CD2 4.22Å; Y58-L155 HydrophobicContact CD1-CD1 4.17Å; Y58-L155 HydrophobicContact CE1-CD1 4.13Å; L59-L155 HydrophobicContact CD2-CD1 4.02Å; F146-L155 HydrophobicContact CD1-CD2 3.63Å; F146-L155 HydrophobicContact CE1-CB 4.45Å; F146-L155 HydrophobicContact CE1-CD2 3.6Å; F146-L155 WeakPolarHBondContact CE2-O 3.43Å; F146-L155 HydrophobicContact CG-CD2 4.39Å; F146-L155 HydrophobicContact CZ-CB 4.42Å; F146-L155 HydrophobicContact CZ-CD2 4.31Å; S151-L155 WeakPolarHBondContact O-CG 3.36Å; S151-L155 PolarHBondContact O-N 3.13Å; Y152-L155 PolarHBondContact O-N 3.36Å; L155-R159 VanDerWaalsContact O-CB 3.3Å; L155-R159 WeakPolarHBondContact O-CB 3.31Å; L155-R159 PolarHBondContact O-N 3.26Å |
| 156 | F | 81.7 | Confident | 74.3 | Confident | 77 Ų | 77 | 43 Ų | 43 | 34% | 0.338 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.7 | -50 | 174.3 | -173.4 | -86.5 | 0 | 0 | 0 | 111.7 | L104 Y152 G153 V154 A158 R159 S160 | L104-F156 VanDerWaalsContact CD1-CA 3.45Å; L104-F156 HydrophobicContact CD1-CB 3.91Å; L104-F156 HydrophobicContact CD1-CD2 3.97Å; L104-F156 HydrophobicContact CD1-CG 4.37Å; Y152-F156 HydrophobicContact CE1-CD2 4.49Å; Y152-F156 WeakPolarHBondContact O-CB 3.46Å; Y152-F156 PolarHBondContact O-N 3.18Å; G153-F156 PolarHBondContact O-N 2.87Å; V154-F156 VanDerWaalsContact C-N 3.35Å; F156-A158 PolarHBondContact O-N 2.97Å; F156-R159 WeakPolarHBondContact O-CB 3.29Å; F156-R159 PolarHBondContact O-N 3.4Å; F156-R159 VanDerWaalsContact O-N 3.15Å; F156-S160 PolarHBondContact O-N 2.73Å; F156-S160 PolarHBondContact O-OG 3.16Å |
| 157 | F | 80.2 | Confident | 73.1 | Confident | 123 Ų | 123 | 43.4 Ų | 43.4 | 54% | 0.539 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.3 | -46.2 | 178.6 | 178.4 | -102.2 | 0 | 0 | 0 | 112.7 | G153 V154 R159 S160 L161 | G153-F157 WeakPolarHBondContact O-CB 3.13Å; G153-F157 PolarHBondContact O-N 2.84Å; V154-F157 PolarHBondContact O-N 3.11Å; F157-R159 PolarHBondContact O-N 3.04Å; F157-S160 PolarHBondContact O-N 2.74Å; F157-L161 HydrophobicContact CD1-CD1 3.98Å; F157-L161 HydrophobicContact CE1-CD1 3.36Å; F157-L161 HydrophobicContact CE2-CD1 4.18Å; F157-L161 HydrophobicContact CZ-CD1 3.49Å; F157-L161 VanDerWaalsContact CZ-CD1 3.49Å; F157-L161 HydrophobicContact CZ-CG 4.35Å; F157-L161 PolarHBondContact O-N 3.41Å |
| 158 | A | 77.6 | Confident | 71.7 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59 | -39.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | S142 I145 F146 V154 F156 L161 | S142-A158 WeakPolarHBondContact CB-O 3.2Å; S142-A158 PolarHBondContact OG-O 2.93Å; I145-A158 HydrophobicContact CB-CB 4.06Å; I145-A158 HydrophobicContact CG2-CB 3.73Å; F146-A158 HydrophobicContact CD2-CB 3.46Å; F146-A158 VanDerWaalsContact CD2-CB 3.46Å; F146-A158 HydrophobicContact CE2-CB 3.9Å; F146-A158 HydrophobicContact CG-CB 4.27Å; V154-A158 VanDerWaalsContact O-CB 3.3Å; V154-A158 WeakPolarHBondContact O-CB 3.3Å; V154-A158 PolarHBondContact O-N 3.14Å; F156-A158 PolarHBondContact O-N 2.97Å; A158-L161 PolarHBondContact O-N 3.49Å |
| 159 | R | 74.1 | Confident | 70.4 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.6 | -43.6 | -179.9 | -169 | 52.8 | 169.5 | -174 | -14.3 | 112.9 | L47 Y48 I51 L104 S107 K108 F146 L155 F156 F157 L161 Q162 | L47-R159 PolarHBondContact O-NH1 3.07Å; Y48-R159 VanDerWaalsContact CA-NH2 3.3Å; Y48-R159 PolarHBondContact O-NH2 2.69Å; I51-R159 VanDerWaalsContact CD1-NH2 3.25Å; L104-R159 HydrophobicContact CD1-CB 4.38Å; S107-R159 WeakPolarHBondContact OG-CG 3.47Å; K108-R159 HydrophobicContact CB-CG 4.4Å; F146-R159 HydrophobicContact CE2-CB 3.67Å; F146-R159 HydrophobicContact CE2-CG 4.38Å; F146-R159 HydrophobicContact CZ-CB 4.08Å; L155-R159 VanDerWaalsContact O-CB 3.3Å; L155-R159 WeakPolarHBondContact O-CB 3.31Å; L155-R159 PolarHBondContact O-N 3.26Å; F156-R159 WeakPolarHBondContact O-CB 3.29Å; F156-R159 PolarHBondContact O-N 3.4Å; F156-R159 VanDerWaalsContact O-N 3.15Å; F157-R159 PolarHBondContact O-N 3.04Å; R159-L161 PolarHBondContact O-N 3.41Å; R159-Q162 PolarHBondContact O-N 3.42Å |
| 160 | S | 76.1 | Confident | 69.2 | Low | 22 Ų | 22 | 37.8 Ų | 37.8 | 15% | 0.154 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.7 | -26.5 | 178 | -68.9 | 0 | 0 | 0 | 0 | 113.6 | V111 F156 F157 | V111-S160 WeakPolarHBondContact CG1-O 3.36Å; F156-S160 PolarHBondContact O-N 2.73Å; F156-S160 PolarHBondContact O-OG 3.16Å; F157-S160 PolarHBondContact O-N 2.74Å |
| 161 | L | 69.1 | Low | 67.9 | Low | 67 Ų | 67 | 30.2 Ų | 30.2 | 35% | 0.351 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -13.2 | -178.2 | -81.7 | 167.3 | 0 | 0 | 0 | 114.6 | V138 F157 A158 R159 D163 | V138-L161 HydrophobicContact CG1-CB 4.27Å; V138-L161 WeakPolarHBondContact CG1-O 3.35Å; F157-L161 HydrophobicContact CD1-CD1 3.98Å; F157-L161 HydrophobicContact CE1-CD1 3.36Å; F157-L161 HydrophobicContact CE2-CD1 4.18Å; F157-L161 HydrophobicContact CZ-CD1 3.49Å; F157-L161 VanDerWaalsContact CZ-CD1 3.49Å; F157-L161 HydrophobicContact CZ-CG 4.35Å; F157-L161 PolarHBondContact O-N 3.41Å; A158-L161 PolarHBondContact O-N 3.49Å; R159-L161 PolarHBondContact O-N 3.41Å; L161-D163 PolarHBondContact O-N 2.98Å; L161-D163 VanDerWaalsContact O-N 3.16Å |
| 162 | Q | 65 | Low | 66.5 | Low | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.009 | 17% | 0.166 | C | C | . | . | trans | -74.3 | 108.1 | -174.3 | -66.9 | 179.2 | -17.6 | 0 | 0 | 111.6 | K108 S142 R159 | K108-Q162 HydrophobicContact CD-CB 4.25Å; K108-Q162 VanDerWaalsContact CE-O 3.3Å; K108-Q162 WeakPolarHBondContact CE-O 3.12Å; K108-Q162 WeakPolarHBondContact CG-O 3.42Å; S142-Q162 WeakPolarHBondContact OG-CG 3.47Å; S142-Q162 PolarHBondContact OG-NE2 2.84Å; R159-Q162 PolarHBondContact O-N 3.42Å | ||
| 163 | D | 57.5 | Low | 65.6 | Low | 36 Ų | 36 | 31.5 Ų | 31.5 | 19% | 0.193 | 17% | 0.17 | C | C | . | . | trans | -139.7 | 146.6 | 176.4 | -162.8 | 15.3 | 0 | 0 | 0 | 112.6 | Q112 L161 | Q112-D163 PolarHBondContact NE2-OD1 3.44Å; L161-D163 PolarHBondContact O-N 2.98Å; L161-D163 VanDerWaalsContact O-N 3.16Å | ||
| 164 | T | 53.8 | Low | 64.6 | Low | 17 Ų | 17 | 29.9 Ų | 29.9 | 10% | 0.104 | 15% | 0.15 | C | C | . | . | trans | -142.3 | 117.3 | -174.6 | -13.2 | 0 | 0 | 0 | 0 | 113.2 | A40 D44 M139 G166 | A40-T164 HydrophobicContact CB-CG2 4.28Å; D44-T164 VanDerWaalsContact CB-OG1 3.28Å; D44-T164 WeakPolarHBondContact CB-OG1 3.08Å; D44-T164 PolarHBondContact OD1-OG1 2.86Å; D44-T164 PolarHBondContact OD2-OG1 3.22Å; M139-T164 HydrophobicContact CE-CG2 3.34Å; M139-T164 WeakPolarHBondContact CE-OG1 3.27Å; T164-G166 PolarHBondContact O-N 2.8Å | ||
| 165 | S | 52.7 | Low | 63.1 | Low | 25 Ų | 25 | 31 Ų | 31 | 18% | 0.175 | 16% | 0.158 | C | C | . | . | trans | -91.1 | 42.8 | -179.4 | 70.8 | 0 | 0 | 0 | 0 | 114.7 | M132 | M132-S165 PolarHBondContact N-OG 2.91Š| ||
| 166 | G | 52.3 | Low | 62 | Low | 3 Ų | 3 | 36.4 Ų | 36.4 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | trans | -79.3 | -43.9 | -166.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | V37 T164 A168 M169 | V37-G166 VanDerWaalsContact CG1-O 3.28Å; V37-G166 WeakPolarHBondContact CG1-O 3.43Å; T164-G166 PolarHBondContact O-N 2.8Å; G166-A168 PolarHBondContact O-N 2.81Å; G166-M169 PolarHBondContact O-N 2.84Å | ||
| 167 | L | 54.9 | Low | 60.8 | Low | 9 Ų | 9 | 35.9 Ų | 35.9 | 5% | 0.047 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.4 | -37.7 | -167.9 | -78.9 | 161.7 | 0 | 0 | 0 | 113.8 | L41 M169 I170 A171 | L41-L167 HydrophobicContact CD1-CD2 3.97Å; L41-L167 HydrophobicContact CD1-CG 4.11Å; L41-L167 HydrophobicContact CD2-CG 4.18Å; L167-M169 PolarHBondContact O-N 3.36Å; L167-I170 PolarHBondContact O-N 2.96Å; L167-A171 PolarHBondContact O-N 3.33Å |
| 168 | A | 55.4 | Low | 59.8 | Low | 5 Ų | 5 | 34.3 Ų | 34.3 | 4% | 0.041 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.1 | -31.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I123 Y128 G166 N172 | I123-A168 HydrophobicContact CD1-CB 4.39Å; Y128-A168 HydrophobicContact CD1-CB 4.06Å; Y128-A168 VanDerWaalsContact CE1-C 3.45Å; Y128-A168 HydrophobicContact CE1-CB 3.74Å; Y128-A168 WeakPolarHBondContact CE1-O 3.45Å; G166-A168 PolarHBondContact O-N 2.81Å; A168-N172 PolarHBondContact O-N 2.86Å |
| 169 | M | 58.5 | Low | 59.2 | Low | 22 Ų | 22 | 38 Ų | 38 | 11% | 0.108 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -71.8 | -33.7 | -179.9 | -165.8 | 173.3 | 66.2 | 0 | 0 | 112.9 | V33 V37 Y128 M132 G166 L167 R173 | V33-M169 HydrophobicContact CG1-CE 3.98Å; V37-M169 HydrophobicContact CG2-CE 3.16Å; Y128-M169 HydrophobicContact CD1-CB 4.05Å; Y128-M169 HydrophobicContact CD1-CG 4.49Å; Y128-M169 HydrophobicContact CG-CB 4.28Å; Y128-M169 HydrophobicContact CG-CG 4.22Å; M132-M169 HydrophobicContact CE-CE 3.69Å; M132-M169 HydrophobicContact CE-SD 3.85Å; M132-M169 HydrophobicContact SD-CE 3.21Å; M132-M169 WeakPolarHBondContact SD-CE 3.43Å; M132-M169 HydrophobicContact SD-SD 3.85Å; G166-M169 PolarHBondContact O-N 2.84Å; L167-M169 PolarHBondContact O-N 3.36Å; M169-R173 PolarHBondContact O-N 2.84Å |
| 170 | I | 55.9 | Low | 58.9 | Low | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.2 | -45.6 | 175.1 | -70 | 175.4 | 0 | 0 | 0 | 110.1 | L34 V37 L167 N172 R173 F174 M184 A187 | L34-I170 HydrophobicContact CD1-CD1 4.1Å; V37-I170 HydrophobicContact CB-CD1 3.76Å; V37-I170 HydrophobicContact CB-CG1 3.88Å; V37-I170 HydrophobicContact CG1-CD1 3.34Å; V37-I170 HydrophobicContact CG1-CG1 3.69Å; V37-I170 HydrophobicContact CG2-CD1 4.48Å; V37-I170 HydrophobicContact CG2-CG1 4.05Å; L167-I170 PolarHBondContact O-N 2.96Å; I170-N172 VanDerWaalsContact C-N 3.29Å; I170-N172 PolarHBondContact O-N 3.42Å; I170-R173 PolarHBondContact O-N 2.82Å; I170-F174 HydrophobicContact CG2-CD2 4.02Å; I170-F174 WeakPolarHBondContact O-CD2 3.48Å; I170-F174 PolarHBondContact O-N 3.32Å; I170-F174 VanDerWaalsContact O-N 3.1Å; I170-M184 HydrophobicContact CG2-CG 4.28Å; I170-A187 HydrophobicContact CD1-CB 3.64Å |
| 171 | A | 52 | Low | 58.3 | Low | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.4 | -38.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L167 M184 Y387 Y391 | L167-A171 PolarHBondContact O-N 3.33Å; A171-M184 HydrophobicContact CB-CE 3.59Å; A171-Y387 HydrophobicContact CB-CD1 4.3Å; A171-Y387 HydrophobicContact CB-CG 4.23Å; A171-Y391 HydrophobicContact CB-CD2 3.66Å; A171-Y391 HydrophobicContact CB-CE2 3.16Å |
| 172 | N | 54.6 | Low | 58.3 | Low | 56 Ų | 56 | 43.2 Ų | 43.2 | 30% | 0.299 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -73.7 | -34.7 | 179.1 | -173 | 47.5 | 0 | 0 | 0 | 113.2 | Y128 A168 I170 | Y128-N172 HydrophobicContact CD2-CB 4.28Å; Y128-N172 WeakPolarHBondContact CD2-ND2 3.33Å; Y128-N172 HydrophobicContact CE1-CB 4.12Å; Y128-N172 HydrophobicContact CE2-CB 3.66Å; Y128-N172 VanDerWaalsContact CE2-CG 3.42Å; Y128-N172 WeakPolarHBondContact CE2-ND2 3.4Å; A168-N172 PolarHBondContact O-N 2.86Å; I170-N172 VanDerWaalsContact C-N 3.29Å; I170-N172 PolarHBondContact O-N 3.42Å |
| 173 | R | 61.5 | Low | 58.5 | Low | 93 Ų | 93 | 43.6 Ų | 43.6 | 35% | 0.351 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -82.6 | -19.7 | -177.5 | -156.8 | 66.1 | 173.5 | 128.1 | -3.9 | 113.4 | K30 M169 I170 P175 | K30-R173 HydrophobicContact CG-CG 4.4Å; M169-R173 PolarHBondContact O-N 2.84Å; I170-R173 PolarHBondContact O-N 2.82Å; R173-P175 VanDerWaalsContact C-CD 3.49Å; R173-P175 WeakPolarHBondContact O-CD 3.36Å |
| 174 | F | 59.6 | Low | 59.1 | Low | 12 Ų | 12 | 42 Ų | 42 | 5% | 0.053 | 21% | 0.209 | C | C | . | . | trans | -119.1 | 77.6 | 175.9 | -62 | -84.4 | 0 | 0 | 0 | 110.4 | K30 I170 E176 E179 R180 | K30-F174 HydrophobicContact CB-CE1 3.82Å; K30-F174 HydrophobicContact CB-CZ 3.73Å; K30-F174 HydrophobicContact CD-CD1 4.33Å; K30-F174 HydrophobicContact CD-CE1 3.9Å; K30-F174 HydrophobicContact CG-CE1 4.03Å; K30-F174 HydrophobicContact CG-CZ 4.19Å; K30-F174 WeakPolarHBondContact O-CZ 3.41Å; I170-F174 HydrophobicContact CG2-CD2 4.02Å; I170-F174 WeakPolarHBondContact O-CD2 3.48Å; I170-F174 PolarHBondContact O-N 3.32Å; I170-F174 VanDerWaalsContact O-N 3.1Å; F174-E176 VanDerWaalsContact C-N 3.32Å; F174-E176 PolarHBondContact O-N 3.38Å; F174-E179 HydrophobicContact CD1-CB 4.18Å; F174-R180 VanDerWaalsContact O-CB 3.31Å; F174-R180 WeakPolarHBondContact O-CB 3.36Å | ||
| 175 | P | 52.1 | Low | 59.8 | Low | 81 Ų | 81 | 41.5 Ų | 41.5 | 53% | 0.526 | 21% | 0.206 | S | C | . | . | trans | -72.3 | -22.6 | -176.2 | 27.9 | -34.8 | 0 | 0 | 0 | 113.5 | R173 E177 | R173-P175 VanDerWaalsContact C-CD 3.49Å; R173-P175 WeakPolarHBondContact O-CD 3.36Å; P175-E177 PolarHBondContact O-N 3.33Å | ||
| 176 | E | 57.2 | Low | 60.9 | Low | 114 Ų | 114 | 43.3 Ų | 43.3 | 53% | 0.533 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -75.1 | 124.6 | 179.7 | -164.7 | -177.9 | -159.5 | 0 | 0 | 110.8 | F174 T178 E179 R180 | F174-E176 VanDerWaalsContact C-N 3.32Å; F174-E176 PolarHBondContact O-N 3.38Å; E176-T178 VanDerWaalsContact C-N 3.26Å; E176-T178 PolarHBondContact O-N 2.96Å; E176-T178 VanDerWaalsContact O-N 3.11Å; E176-E179 HydrophobicContact CB-CB 4.4Å; E176-E179 PolarHBondContact O-N 2.91Å; E176-E179 VanDerWaalsContact O-N 3.07Å; E176-R180 WeakPolarHBondContact O-CB 3.44Å; E176-R180 PolarHBondContact O-N 2.9Å |
| 177 | E | 57.8 | Low | 62 | Low | 67 Ų | 67 | 43.2 Ų | 43.2 | 31% | 0.313 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -52.9 | -39.2 | -170.1 | -171.2 | -179.9 | 179.8 | 0 | 0 | 113.8 | P175 S181 Y443 | P175-E177 PolarHBondContact O-N 3.33Å; E177-S181 WeakPolarHBondContact O-CB 3.12Å; E177-S181 PolarHBondContact O-N 3.14Å; E177-Y443 PolarHBondContact OE1-OH 2.78Å |
| 178 | T | 58.4 | Low | 62.8 | Low | 89 Ų | 89 | 43 Ų | 43 | 55% | 0.546 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -75.2 | -40.1 | 179.7 | 18.3 | 0 | 0 | 0 | 0 | 112.9 | E176 R182 | E176-T178 VanDerWaalsContact C-N 3.26Å; E176-T178 PolarHBondContact O-N 2.96Å; E176-T178 VanDerWaalsContact O-N 3.11Å; T178-R182 PolarHBondContact O-N 3.25Å |
| 179 | E | 65.3 | Low | 63.7 | Low | 79 Ų | 79 | 43.5 Ų | 43.5 | 37% | 0.369 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67.8 | -38 | 172.3 | -74.3 | -160 | 150.9 | 0 | 0 | 111.3 | K30 F174 E176 R182 S183 | K30-E179 IonicContact NZ-OE2 3.48Å; F174-E179 HydrophobicContact CD1-CB 4.18Å; E176-E179 HydrophobicContact CB-CB 4.4Å; E176-E179 PolarHBondContact O-N 2.91Å; E176-E179 VanDerWaalsContact O-N 3.07Å; E179-R182 PolarHBondContact O-N 2.91Å; E179-S183 WeakPolarHBondContact O-CB 3.48Å; E179-S183 PolarHBondContact O-N 2.9Å; E179-S183 PolarHBondContact O-OG 3.09Å |
| 180 | R | 66.5 | Low | 64.8 | Low | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.6 | -53 | 176.2 | -167.2 | 170.4 | 67.8 | -161.9 | 0.4 | 111.1 | F174 E176 R182 S183 M184 P373 G376 D380 | F174-R180 VanDerWaalsContact O-CB 3.31Å; F174-R180 WeakPolarHBondContact O-CB 3.36Å; E176-R180 WeakPolarHBondContact O-CB 3.44Å; E176-R180 PolarHBondContact O-N 2.9Å; R180-R182 VanDerWaalsContact C-N 3.32Å; R180-R182 PolarHBondContact O-N 3.34Å; R180-S183 PolarHBondContact O-N 3.25Å; R180-M184 HydrophobicContact CG-CE 3.7Å; R180-M184 HydrophobicContact CG-SD 3.87Å; R180-M184 WeakPolarHBondContact O-CB 3.37Å; R180-M184 WeakPolarHBondContact O-CG 3.41Å; R180-M184 PolarHBondContact O-N 2.89Å; R180-P373 PolarHBondContact NH2-O 3.36Å; R180-G376 VanDerWaalsContact NH2-C 3.33Å; R180-D380 IonicContact CZ-OD2 3.03Å; R180-D380 IonicContact NH1-OD2 2.87Å; R180-D380 PolarHBondContact NH1-OD2 2.97Å |
| 181 | S | 63.6 | Low | 65.8 | Low | 17 Ų | 17 | 47.5 Ų | 47.5 | 12% | 0.119 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.2 | -42.3 | 179.3 | 179.3 | 0 | 0 | 0 | 0 | 111.9 | E177 G185 | E177-S181 WeakPolarHBondContact O-CB 3.12Å; E177-S181 PolarHBondContact O-N 3.14Å; S181-G185 PolarHBondContact O-N 3.42Å |
| 182 | R | 69.1 | Low | 66.9 | Low | 179 Ų | 179 | 48 Ų | 48 | 68% | 0.675 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -65 | -45.2 | 176.9 | -174.8 | -179.3 | -179 | 174.1 | 1.7 | 112.3 | T178 E179 R180 G185 I186 | T178-R182 PolarHBondContact O-N 3.25Å; E179-R182 PolarHBondContact O-N 2.91Å; R180-R182 VanDerWaalsContact C-N 3.32Å; R180-R182 PolarHBondContact O-N 3.34Å; R182-G185 PolarHBondContact O-N 3.19Å; R182-I186 HydrophobicContact CG-CD1 4.45Å; R182-I186 WeakPolarHBondContact O-CG1 3.19Å; R182-I186 PolarHBondContact O-N 3.26Å; R182-I186 VanDerWaalsContact O-N 3.1Å |
| 183 | S | 68.9 | Low | 68.1 | Low | 9 Ų | 9 | 49.2 Ų | 49.2 | 6% | 0.063 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.5 | -39.9 | -177.7 | -56.5 | 0 | 0 | 0 | 0 | 111.5 | E179 R180 I186 A187 | E179-S183 WeakPolarHBondContact O-CB 3.48Å; E179-S183 PolarHBondContact O-N 2.9Å; E179-S183 PolarHBondContact O-OG 3.09Å; R180-S183 PolarHBondContact O-N 3.25Å; S183-I186 PolarHBondContact O-N 2.9Å; S183-A187 PolarHBondContact O-N 2.95Å |
| 184 | M | 70.6 | Confident | 68.9 | Low | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.02 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.9 | -42.3 | 171.4 | -74.7 | 178 | 175.2 | 0 | 0 | 112 | I170 A171 R180 I186 A187 L188 P373 Y391 | I170-M184 HydrophobicContact CG2-CG 4.28Å; A171-M184 HydrophobicContact CB-CE 3.59Å; R180-M184 HydrophobicContact CG-CE 3.7Å; R180-M184 HydrophobicContact CG-SD 3.87Å; R180-M184 WeakPolarHBondContact O-CB 3.37Å; R180-M184 WeakPolarHBondContact O-CG 3.41Å; R180-M184 PolarHBondContact O-N 2.89Å; M184-I186 VanDerWaalsContact C-N 3.28Å; M184-I186 PolarHBondContact O-N 3.29Å; M184-A187 PolarHBondContact O-N 2.87Å; M184-A187 VanDerWaalsContact O-N 3.16Å; M184-L188 WeakPolarHBondContact O-CB 3.35Å; M184-L188 VanDerWaalsContact O-CG 3.31Å; M184-L188 WeakPolarHBondContact O-CG 3.48Å; M184-L188 PolarHBondContact O-N 2.97Å; M184-P373 HydrophobicContact SD-CG 4.48Å; M184-Y391 HydrophobicContact CE-CE1 3.73Å; M184-Y391 HydrophobicContact CE-CE2 3.86Å; M184-Y391 WeakPolarHBondContact CE-OH 3.43Å; M184-Y391 HydrophobicContact SD-CE1 4.33Å |
| 185 | G | 69.2 | Low | 69.7 | Low | 5 Ų | 5 | 45 Ų | 45 | 5% | 0.052 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.3 | -39 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | S181 R182 A189 | S181-G185 PolarHBondContact O-N 3.42Å; R182-G185 PolarHBondContact O-N 3.19Å; G185-A189 PolarHBondContact O-N 3.08Å; G185-A189 VanDerWaalsContact O-N 3.14Å |
| 186 | I | 76.2 | Confident | 70.8 | Confident | 64 Ų | 64 | 41.5 Ų | 41.5 | 33% | 0.328 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -67 | -45.1 | 174.8 | -66.1 | 165.4 | 0 | 0 | 0 | 110.8 | L34 R182 S183 M184 L188 A189 F190 | L34-I186 HydrophobicContact CD2-CD1 3.99Å; L34-I186 HydrophobicContact CD2-CG2 4.31Å; R182-I186 HydrophobicContact CG-CD1 4.45Å; R182-I186 WeakPolarHBondContact O-CG1 3.19Å; R182-I186 PolarHBondContact O-N 3.26Å; R182-I186 VanDerWaalsContact O-N 3.1Å; S183-I186 PolarHBondContact O-N 2.9Å; M184-I186 VanDerWaalsContact C-N 3.28Å; M184-I186 PolarHBondContact O-N 3.29Å; I186-L188 PolarHBondContact O-N 3.12Å; I186-A189 WeakPolarHBondContact O-CB 3.4Å; I186-A189 PolarHBondContact O-N 3.27Å; I186-F190 HydrophobicContact CG2-CD2 4.47Å; I186-F190 HydrophobicContact CG2-CE2 4.35Å; I186-F190 WeakPolarHBondContact O-CD2 3.46Å; I186-F190 PolarHBondContact O-N 2.99Å |
| 187 | A | 74.7 | Confident | 72 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.8 | -41.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L41 I170 S183 M184 A189 F190 I191 | L41-A187 HydrophobicContact CD1-CB 3.94Å; I170-A187 HydrophobicContact CD1-CB 3.64Å; S183-A187 PolarHBondContact O-N 2.95Å; M184-A187 PolarHBondContact O-N 2.87Å; M184-A187 VanDerWaalsContact O-N 3.16Å; A187-A189 VanDerWaalsContact C-N 3.32Å; A187-A189 PolarHBondContact O-N 2.67Å; A187-F190 WeakPolarHBondContact O-CB 3.32Å; A187-F190 PolarHBondContact O-N 3.33Å; A187-F190 VanDerWaalsContact O-N 3.09Å; A187-I191 PolarHBondContact O-N 3.15Å |
| 188 | L | 70.9 | Confident | 73.1 | Confident | 5 Ų | 5 | 34.2 Ų | 34.2 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.5 | -37.9 | 175.7 | -72 | 165.1 | 0 | 0 | 0 | 112.4 | M184 I186 F190 I191 S192 D368 L372 | M184-L188 WeakPolarHBondContact O-CB 3.35Å; M184-L188 VanDerWaalsContact O-CG 3.31Å; M184-L188 WeakPolarHBondContact O-CG 3.48Å; M184-L188 PolarHBondContact O-N 2.97Å; I186-L188 PolarHBondContact O-N 3.12Å; L188-F190 PolarHBondContact O-N 3.43Å; L188-I191 HydrophobicContact CD2-CD1 4.2Å; L188-I191 WeakPolarHBondContact O-CB 3.45Å; L188-I191 PolarHBondContact O-N 2.89Å; L188-S192 PolarHBondContact O-N 3.34Å; L188-S192 PolarHBondContact O-OG 2.92Å; L188-D368 HydrophobicContact CD1-CB 4.28Å; L188-D368 HydrophobicContact CD2-CB 4.22Å; L188-L372 HydrophobicContact CD1-CD1 3.72Å; L188-L372 HydrophobicContact CD2-CD1 3.58Å; L188-L372 HydrophobicContact CG-CD1 4.1Å |
| 189 | A | 74.7 | Confident | 73.9 | Confident | 15 Ų | 15 | 30.4 Ų | 30.4 | 12% | 0.124 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.4 | -34.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G185 I186 A187 F193 L309 | G185-A189 PolarHBondContact O-N 3.08Å; G185-A189 VanDerWaalsContact O-N 3.14Å; I186-A189 WeakPolarHBondContact O-CB 3.4Å; I186-A189 PolarHBondContact O-N 3.27Å; A187-A189 VanDerWaalsContact C-N 3.32Å; A187-A189 PolarHBondContact O-N 2.67Å; A189-F193 VanDerWaalsContact O-CB 3.24Å; A189-F193 WeakPolarHBondContact O-CB 3.41Å; A189-F193 PolarHBondContact O-N 3.48Å; A189-L309 HydrophobicContact CB-CD1 3.72Å |
| 190 | F | 81.8 | Confident | 74.6 | Confident | 79 Ų | 79 | 28.1 Ų | 28.1 | 35% | 0.346 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -74.7 | -38.2 | 176.8 | -86.3 | -113.8 | 0 | 0 | 0 | 112.6 | S38 L42 I186 A187 L188 S192 F193 G194 | S38-F190 WeakPolarHBondContact O-CB 3.38Å; S38-F190 WeakPolarHBondContact O-CD1 3.36Å; L42-F190 HydrophobicContact CB-CB 4.28Å; L42-F190 HydrophobicContact CB-CD1 4.04Å; L42-F190 VanDerWaalsContact CD1-O 3.27Å; L42-F190 WeakPolarHBondContact CD1-O 3.25Å; L42-F190 HydrophobicContact CD2-CD1 4.17Å; I186-F190 HydrophobicContact CG2-CD2 4.47Å; I186-F190 HydrophobicContact CG2-CE2 4.35Å; I186-F190 WeakPolarHBondContact O-CD2 3.46Å; I186-F190 PolarHBondContact O-N 2.99Å; A187-F190 WeakPolarHBondContact O-CB 3.32Å; A187-F190 PolarHBondContact O-N 3.33Å; A187-F190 VanDerWaalsContact O-N 3.09Å; L188-F190 PolarHBondContact O-N 3.43Å; F190-S192 VanDerWaalsContact C-N 3.35Å; F190-F193 PolarHBondContact O-N 2.94Å; F190-G194 PolarHBondContact O-N 3.19Å |
| 191 | I | 77.1 | Confident | 75.5 | Confident | 28 Ų | 28 | 30.3 Ų | 30.3 | 14% | 0.144 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -53.6 | -54.5 | 170.8 | -72.8 | 172.8 | 0 | 0 | 0 | 109.7 | L41 N45 A187 L188 F193 G194 S195 | L41-I191 HydrophobicContact CB-CD1 4.4Å; L41-I191 HydrophobicContact CB-CG1 3.79Å; L41-I191 HydrophobicContact CD1-CD1 4.09Å; L41-I191 HydrophobicContact CD1-CG1 4.29Å; L41-I191 HydrophobicContact CD2-CD1 4.24Å; L41-I191 HydrophobicContact CD2-CG1 4.43Å; L41-I191 HydrophobicContact CG-CD1 4.48Å; L41-I191 HydrophobicContact CG-CG1 4.39Å; N45-I191 WeakPolarHBondContact CB-O 3.21Å; A187-I191 PolarHBondContact O-N 3.15Å; L188-I191 HydrophobicContact CD2-CD1 4.2Å; L188-I191 WeakPolarHBondContact O-CB 3.45Å; L188-I191 PolarHBondContact O-N 2.89Å; I191-F193 PolarHBondContact O-N 3.33Å; I191-G194 PolarHBondContact O-N 2.73Å; I191-G194 VanDerWaalsContact O-N 3.14Å; I191-S195 PolarHBondContact O-N 2.97Å; I191-S195 PolarHBondContact O-OG 3.15Å |
| 192 | S | 74.7 | Confident | 76.1 | Confident | 10 Ų | 10 | 29.5 Ų | 29.5 | 7% | 0.07 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -72.2 | -31 | -176 | -51.2 | 0 | 0 | 0 | 0 | 113.1 | L188 F190 G194 S195 L196 H308 | L188-S192 PolarHBondContact O-N 3.34Å; L188-S192 PolarHBondContact O-OG 2.92Å; F190-S192 VanDerWaalsContact C-N 3.35Å; S192-G194 VanDerWaalsContact C-N 3.31Å; S192-S195 WeakPolarHBondContact CA-OG 3.49Å; S192-S195 PolarHBondContact O-OG 3.49Å; S192-L196 WeakPolarHBondContact O-CB 3.21Å; S192-L196 WeakPolarHBondContact O-CD1 3.18Å; S192-L196 VanDerWaalsContact O-CG 3.22Å; S192-L196 WeakPolarHBondContact O-CG 3.34Å; S192-L196 PolarHBondContact O-N 2.88Å; S192-L196 VanDerWaalsContact O-N 3.14Å; S192-H308 VanDerWaalsContact CB-CE1 3.41Å; S192-H308 WeakPolarHBondContact CB-CE1 3.22Å; S192-H308 WeakPolarHBondContact CB-NE2 3.46Å; S192-H308 PolarHBondContact OG-CD2 2.95Å; S192-H308 PolarHBondContact OG-CE1 2.92Å; S192-H308 PolarHBondContact OG-NE2 3.2Å |
| 193 | F | 79.6 | Confident | 76.3 | Confident | 82 Ų | 82 | 22 Ų | 22 | 36% | 0.36 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -62.1 | -43.1 | 170.1 | -175.2 | -113.3 | 0 | 0 | 0 | 110.8 | L42 A189 F190 I191 V197 F305 | L42-F193 HydrophobicContact CD1-CB 4.32Å; L42-F193 HydrophobicContact CD1-CD1 3.6Å; L42-F193 HydrophobicContact CD1-CE1 4.44Å; L42-F193 HydrophobicContact CD1-CG 4.42Å; A189-F193 VanDerWaalsContact O-CB 3.24Å; A189-F193 WeakPolarHBondContact O-CB 3.41Å; A189-F193 PolarHBondContact O-N 3.48Å; F190-F193 PolarHBondContact O-N 2.94Å; I191-F193 PolarHBondContact O-N 3.33Å; F193-V197 HydrophobicContact CD2-CG2 3.66Å; F193-V197 HydrophobicContact CE1-CG2 4.32Å; F193-V197 HydrophobicContact CE2-CG2 3.42Å; F193-V197 VanDerWaalsContact CE2-CG2 3.42Å; F193-V197 HydrophobicContact CG-CG2 4.25Å; F193-V197 HydrophobicContact CZ-CG2 3.77Å; F193-V197 VanDerWaalsContact O-CB 3.28Å; F193-V197 WeakPolarHBondContact O-CB 3.31Å; F193-V197 WeakPolarHBondContact O-CG2 3.44Å; F193-V197 PolarHBondContact O-N 3.14Å; F193-F305 HydrophobicContact CB-CD2 4.29Å; F193-F305 HydrophobicContact CB-CE2 3.58Å; F193-F305 HydrophobicContact CB-CZ 4.05Å; F193-F305 HydrophobicContact CD2-CD1 4.28Å; F193-F305 HydrophobicContact CD2-CD2 4.13Å; F193-F305 AromaticContact CD2-CE1 3.79Å; F193-F305 HydrophobicContact CD2-CE1 3.79Å; F193-F305 AromaticContact CD2-CE2 3.64Å; F193-F305 HydrophobicContact CD2-CE2 3.64Å; F193-F305 HydrophobicContact CD2-CG 4.43Å; F193-F305 AromaticContact CD2-CZ 3.45Å; F193-F305 HydrophobicContact CD2-CZ 3.45Å; F193-F305 VanDerWaalsContact CD2-CZ 3.45Å; F193-F305 HydrophobicContact CE2-CE1 4.27Å; F193-F305 HydrophobicContact CE2-CZ 4.3Å; F193-F305 HydrophobicContact CG-CE2 4.08Å; F193-F305 HydrophobicContact CG-CZ 4.14Å |
| 194 | G | 79.6 | Confident | 76.8 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.4 | -47.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | L42 M46 F190 I191 S192 A198 | L42-G194 VanDerWaalsContact CD1-CA 3.41Å; M46-G194 VanDerWaalsContact CG-CA 3.49Å; M46-G194 WeakPolarHBondContact CG-O 3.45Å; F190-G194 PolarHBondContact O-N 3.19Å; I191-G194 PolarHBondContact O-N 2.73Å; I191-G194 VanDerWaalsContact O-N 3.14Å; S192-G194 VanDerWaalsContact C-N 3.31Å; G194-A198 WeakPolarHBondContact O-CB 3.42Å; G194-A198 PolarHBondContact O-N 2.91Å |
| 195 | S | 75.2 | Confident | 77.5 | Confident | 15 Ų | 15 | 27.1 Ų | 27.1 | 11% | 0.105 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.3 | -38.2 | -179.8 | 57.3 | 0 | 0 | 0 | 0 | 112.7 | M49 I191 S192 P199 | M49-S195 WeakPolarHBondContact CB-O 3.44Å; M49-S195 WeakPolarHBondContact CG-O 3.49Å; I191-S195 PolarHBondContact O-N 2.97Å; I191-S195 PolarHBondContact O-OG 3.15Å; S192-S195 WeakPolarHBondContact CA-OG 3.49Å; S192-S195 PolarHBondContact O-OG 3.49Å; S195-P199 VanDerWaalsContact O-CD 3.24Å; S195-P199 WeakPolarHBondContact O-CD 3.34Å |
| 196 | L | 76.7 | Confident | 78 | Confident | 8 Ų | 8 | 28.2 Ų | 28.2 | 4% | 0.042 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -84.2 | -30.2 | -174.9 | -62.8 | 172.6 | 0 | 0 | 0 | 114 | S192 W301 F305 | S192-L196 WeakPolarHBondContact O-CB 3.21Å; S192-L196 WeakPolarHBondContact O-CD1 3.18Å; S192-L196 VanDerWaalsContact O-CG 3.22Å; S192-L196 WeakPolarHBondContact O-CG 3.34Å; S192-L196 PolarHBondContact O-N 2.88Å; S192-L196 VanDerWaalsContact O-N 3.14Å; L196-W301 HydrophobicContact CD2-CB 4.13Å; L196-W301 HydrophobicContact CD2-CE3 3.95Å; L196-W301 WeakPolarHBondContact CD2-O 3.48Å; L196-F305 HydrophobicContact CB-CB 4.39Å; L196-F305 VanDerWaalsContact CD1-CA 3.44Å; L196-F305 HydrophobicContact CD1-CB 3.68Å; L196-F305 HydrophobicContact CD1-CD2 4.15Å; L196-F305 HydrophobicContact CD1-CG 4.43Å |
| 197 | V | 81.6 | Confident | 78.1 | Confident | 29 Ų | 29 | 31.9 Ų | 31.9 | 18% | 0.176 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -83.7 | -24.2 | 178.4 | 172.3 | 0 | 0 | 0 | 0 | 112.6 | F193 P200 F201 L302 | F193-V197 HydrophobicContact CD2-CG2 3.66Å; F193-V197 HydrophobicContact CE1-CG2 4.32Å; F193-V197 HydrophobicContact CE2-CG2 3.42Å; F193-V197 VanDerWaalsContact CE2-CG2 3.42Å; F193-V197 HydrophobicContact CG-CG2 4.25Å; F193-V197 HydrophobicContact CZ-CG2 3.77Å; F193-V197 VanDerWaalsContact O-CB 3.28Å; F193-V197 WeakPolarHBondContact O-CB 3.31Å; F193-V197 WeakPolarHBondContact O-CG2 3.44Å; F193-V197 PolarHBondContact O-N 3.14Å; V197-P200 VanDerWaalsContact O-CD 3.27Å; V197-P200 WeakPolarHBondContact O-CD 3.22Å; V197-F201 HydrophobicContact CG1-CB 4.49Å; V197-F201 VanDerWaalsContact O-CB 3.29Å; V197-F201 WeakPolarHBondContact O-CB 3.38Å; V197-F201 PolarHBondContact O-N 2.96Å; V197-L302 HydrophobicContact CG2-CD1 3.94Å |
| 198 | A | 80.3 | Confident | 78.5 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.9 | -38 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | M46 M49 V50 G194 F201 G202 | M46-A198 HydrophobicContact CB-CB 4.2Å; M46-A198 HydrophobicContact CE-CB 4.4Å; M46-A198 HydrophobicContact CG-CB 4.27Å; M46-A198 WeakPolarHBondContact O-CB 3.45Å; M49-A198 HydrophobicContact CB-CB 3.61Å; V50-A198 HydrophobicContact CB-CB 4.32Å; G194-A198 WeakPolarHBondContact O-CB 3.42Å; G194-A198 PolarHBondContact O-N 2.91Å; A198-F201 PolarHBondContact O-N 3.47Å; A198-G202 PolarHBondContact O-N 2.94Å |
| 199 | P | 76.1 | Confident | 79.1 | Confident | 9 Ų | 9 | 41.8 Ų | 41.8 | 6% | 0.058 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.9 | -47.3 | 175.8 | -17.9 | 29.3 | 0 | 0 | 0 | 112.5 | M49 S195 F201 G202 G203 | M49-P199 HydrophobicContact CB-CG 4.11Å; M49-P199 HydrophobicContact CE-CG 3.94Å; S195-P199 VanDerWaalsContact O-CD 3.24Å; S195-P199 WeakPolarHBondContact O-CD 3.34Å; P199-F201 PolarHBondContact O-N 3.04Å; P199-G202 PolarHBondContact O-N 3.34Å; P199-G203 PolarHBondContact O-N 2.91Å |
| 200 | P | 79.4 | Confident | 79.4 | Confident | 30 Ų | 30 | 42.4 Ų | 42.4 | 20% | 0.195 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.4 | -44.1 | 170.9 | -25.6 | 32.8 | 0 | 0 | 0 | 113.5 | V197 T204 L302 | V197-P200 VanDerWaalsContact O-CD 3.27Å; V197-P200 WeakPolarHBondContact O-CD 3.22Å; P200-T204 VanDerWaalsContact O-CB 3.25Å; P200-T204 WeakPolarHBondContact O-CB 3.37Å; P200-T204 PolarHBondContact O-N 3.37Å; P200-T204 PolarHBondContact O-OG1 3.42Å; P200-L302 HydrophobicContact CG-CB 4.49Å; P200-L302 HydrophobicContact CG-CD1 4.34Å |
| 201 | F | 84.5 | Confident | 79.5 | Confident | 49 Ų | 49 | 39.2 Ų | 39.2 | 22% | 0.215 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.2 | -49.6 | 178.7 | 170.7 | -94.8 | 0 | 0 | 0 | 111.8 | M46 V50 V197 A198 P199 L205 P214 V217 L218 | M46-F201 HydrophobicContact CE-CB 4.13Å; M46-F201 HydrophobicContact CE-CD1 3.68Å; M46-F201 HydrophobicContact CE-CD2 4.21Å; M46-F201 HydrophobicContact CE-CE1 4.1Å; M46-F201 HydrophobicContact CE-CG 3.75Å; V50-F201 HydrophobicContact CG2-CD1 3.77Å; V50-F201 HydrophobicContact CG2-CE1 4.14Å; V197-F201 HydrophobicContact CG1-CB 4.49Å; V197-F201 VanDerWaalsContact O-CB 3.29Å; V197-F201 WeakPolarHBondContact O-CB 3.38Å; V197-F201 PolarHBondContact O-N 2.96Å; A198-F201 PolarHBondContact O-N 3.47Å; P199-F201 PolarHBondContact O-N 3.04Å; F201-L205 HydrophobicContact CD1-CD1 4.24Å; F201-L205 HydrophobicContact CD2-CD1 3.75Å; F201-L205 HydrophobicContact CE1-CD1 3.81Å; F201-L205 HydrophobicContact CE2-CD1 3.28Å; F201-L205 HydrophobicContact CG-CD1 4.21Å; F201-L205 HydrophobicContact CZ-CD1 3.31Å; F201-L205 WeakPolarHBondContact O-CB 3.43Å; F201-L205 PolarHBondContact O-N 3.09Å; F201-L205 VanDerWaalsContact O-N 3.11Å; F201-P214 HydrophobicContact CE1-CB 4.22Å; F201-V217 HydrophobicContact CE2-CG1 4.4Å; F201-V217 HydrophobicContact CZ-CB 4.26Å; F201-V217 HydrophobicContact CZ-CG1 3.95Å; F201-L218 HydrophobicContact CE1-CD1 4.05Å; F201-L218 HydrophobicContact CE1-CD2 4.24Å; F201-L218 HydrophobicContact CE1-CG 4.01Å; F201-L218 HydrophobicContact CZ-CD2 4.49Å; F201-L218 HydrophobicContact CZ-CG 4.39Å |
| 202 | G | 77 | Confident | 79.9 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.7 | -49.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A198 P199 T204 Y206 | A198-G202 PolarHBondContact O-N 2.94Å; P199-G202 PolarHBondContact O-N 3.34Å; G202-T204 PolarHBondContact O-N 3.08Å; G202-Y206 WeakPolarHBondContact O-CB 3.31Å; G202-Y206 PolarHBondContact O-N 2.89Å |
| 203 | G | 73.5 | Confident | 80.6 | Confident | 21 Ų | 21 | 42.3 Ų | 42.3 | 22% | 0.216 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.2 | -46.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P199 Q207 | P199-G203 PolarHBondContact O-N 2.91Å; G203-Q207 WeakPolarHBondContact O-CB 3.44Å; G203-Q207 PolarHBondContact O-N 3.33Å |
| 204 | T | 79.6 | Confident | 80.9 | Confident | 72 Ų | 72 | 38.4 Ų | 38.4 | 44% | 0.442 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.8 | -52.8 | -179.5 | -54.4 | 0 | 0 | 0 | 0 | 111.4 | P200 G202 Y206 Q207 F208 | P200-T204 VanDerWaalsContact O-CB 3.25Å; P200-T204 WeakPolarHBondContact O-CB 3.37Å; P200-T204 PolarHBondContact O-N 3.37Å; P200-T204 PolarHBondContact O-OG1 3.42Å; G202-T204 PolarHBondContact O-N 3.08Å; T204-Y206 VanDerWaalsContact C-N 3.33Å; T204-Y206 PolarHBondContact O-N 3.23Å; T204-Q207 PolarHBondContact O-N 3.31Å; T204-F208 HydrophobicContact CG2-CD2 3.8Å; T204-F208 HydrophobicContact CG2-CE2 3.92Å; T204-F208 WeakPolarHBondContact O-CD2 2.74Å; T204-F208 PolarHBondContact O-N 3.35Å; T204-F208 VanDerWaalsContact O-N 3.12Å |
| 205 | L | 84.1 | Confident | 81.3 | Confident | 48 Ų | 48 | 38.4 Ų | 38.4 | 25% | 0.251 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.5 | -35.8 | -178.3 | -75.2 | 171.9 | 0 | 0 | 0 | 112.4 | F201 A209 G210 V213 P214 | F201-L205 HydrophobicContact CD1-CD1 4.24Å; F201-L205 HydrophobicContact CD2-CD1 3.75Å; F201-L205 HydrophobicContact CE1-CD1 3.81Å; F201-L205 HydrophobicContact CE2-CD1 3.28Å; F201-L205 HydrophobicContact CG-CD1 4.21Å; F201-L205 HydrophobicContact CZ-CD1 3.31Å; F201-L205 WeakPolarHBondContact O-CB 3.43Å; F201-L205 PolarHBondContact O-N 3.09Å; F201-L205 VanDerWaalsContact O-N 3.11Å; L205-A209 WeakPolarHBondContact O-CA 3.47Å; L205-A209 WeakPolarHBondContact O-CB 3.47Å; L205-A209 PolarHBondContact O-N 2.83Å; L205-G210 PolarHBondContact O-N 2.97Å; L205-V213 HydrophobicContact CD2-CG1 4.33Å; L205-P214 HydrophobicContact CB-CB 4.28Å; L205-P214 HydrophobicContact CB-CG 3.7Å; L205-P214 HydrophobicContact CD1-CB 4.42Å |
| 206 | Y | 81.2 | Confident | 82 | Confident | 29 Ų | 29 | 42.3 Ų | 42.3 | 11% | 0.114 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.9 | -44.6 | 175.1 | 175 | -118.8 | 0 | 0 | 0 | 111.8 | I54 D57 G202 T204 G210 K211 | I54-Y206 HydrophobicContact CB-CG 4.39Å; I54-Y206 HydrophobicContact CD1-CG 4.48Å; I54-Y206 HydrophobicContact CG1-CD1 4.34Å; I54-Y206 HydrophobicContact CG1-CD2 4.45Å; I54-Y206 HydrophobicContact CG1-CG 3.94Å; I54-Y206 HydrophobicContact CG2-CD1 4.47Å; I54-Y206 HydrophobicContact CG2-CD2 3.77Å; I54-Y206 HydrophobicContact CG2-CE2 3.96Å; I54-Y206 HydrophobicContact CG2-CG 4.05Å; D57-Y206 HydrophobicContact CB-CE1 4.32Å; D57-Y206 WeakPolarHBondContact OD2-CE1 3.45Å; D57-Y206 PolarHBondContact OD2-OH 2.97Å; G202-Y206 WeakPolarHBondContact O-CB 3.31Å; G202-Y206 PolarHBondContact O-N 2.89Å; T204-Y206 VanDerWaalsContact C-N 3.33Å; T204-Y206 PolarHBondContact O-N 3.23Å; Y206-G210 VanDerWaalsContact O-CA 3.26Å; Y206-G210 WeakPolarHBondContact O-CA 3.34Å; Y206-G210 PolarHBondContact O-N 2.96Å; Y206-K211 HydrophobicContact CD2-CB 4.17Å; Y206-K211 HydrophobicContact CE2-CB 4.03Å |
| 207 | Q | 78.3 | Confident | 82.6 | Confident | 140 Ų | 140 | 44.9 Ų | 44.9 | 65% | 0.654 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -64.6 | -42.3 | -179.6 | -173.2 | 177 | 9.8 | 0 | 0 | 112.4 | G203 T204 | G203-Q207 WeakPolarHBondContact O-CB 3.44Å; G203-Q207 PolarHBondContact O-N 3.33Å; T204-Q207 PolarHBondContact O-N 3.31Å |
| 208 | F | 82 | Confident | 82.8 | Confident | 162 Ų | 162 | 43.7 Ų | 43.7 | 71% | 0.711 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -91.8 | -26.8 | -173.7 | -69 | -67 | 0 | 0 | 0 | 114.6 | T204 | T204-F208 HydrophobicContact CG2-CD2 3.8Å; T204-F208 HydrophobicContact CG2-CE2 3.92Å; T204-F208 WeakPolarHBondContact O-CD2 2.74Å; T204-F208 PolarHBondContact O-N 3.35Å; T204-F208 VanDerWaalsContact O-N 3.12Å |
| 209 | A | 83.4 | Confident | 83.1 | Confident | 52 Ų | 52 | 44 Ų | 44 | 43% | 0.43 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -132 | -0.2 | -170 | 0 | 0 | 0 | 0 | 0 | 114 | L205 V213 | L205-A209 WeakPolarHBondContact O-CA 3.47Å; L205-A209 WeakPolarHBondContact O-CB 3.47Å; L205-A209 PolarHBondContact O-N 2.83Å; A209-V213 HydrophobicContact CB-CB 3.89Å; A209-V213 HydrophobicContact CB-CG1 3.91Å; A209-V213 HydrophobicContact CB-CG2 3.78Å; A209-V213 VanDerWaalsContact O-CG2 3.31Å; A209-V213 WeakPolarHBondContact O-CG2 3.36Å |
| 210 | G | 81.3 | Confident | 83.7 | Confident | 27 Ų | 27 | 49.5 Ų | 49.5 | 28% | 0.278 | 27% | 0.272 | S | S | . | . | trans | 82 | 173.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L205 Y206 V213 P214 | L205-G210 PolarHBondContact O-N 2.97Å; Y206-G210 VanDerWaalsContact O-CA 3.26Å; Y206-G210 WeakPolarHBondContact O-CA 3.34Å; Y206-G210 PolarHBondContact O-N 2.96Å; G210-V213 PolarHBondContact O-N 2.95Å; G210-P214 VanDerWaalsContact O-CD 3.28Å; G210-P214 WeakPolarHBondContact O-CD 3.36Å | ||
| 211 | K | 83.3 | Confident | 84.1 | Confident | 12 Ų | 12 | 50.5 Ų | 50.5 | 5% | 0.052 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -46.7 | -173.4 | -179.2 | -173.2 | 167.1 | -117.3 | 0 | 114.9 | I54 Y58 F146 A147 G149 Y206 V213 P214 F215 | I54-K211 HydrophobicContact CG2-CG 4.31Å; Y58-K211 HydrophobicContact CD1-CD 3.96Å; Y58-K211 HydrophobicContact CD2-CB 4.39Å; Y58-K211 HydrophobicContact CD2-CD 3.69Å; Y58-K211 HydrophobicContact CD2-CG 4.49Å; Y58-K211 HydrophobicContact CE1-CD 3.73Å; Y58-K211 HydrophobicContact CE2-CB 4.38Å; Y58-K211 HydrophobicContact CE2-CD 3.44Å; Y58-K211 VanDerWaalsContact CE2-CD 3.44Å; Y58-K211 HydrophobicContact CE2-CG 4.49Å; Y58-K211 HydrophobicContact CG-CD 3.93Å; Y58-K211 VanDerWaalsContact CZ-CD 3.46Å; F146-K211 VanDerWaalsContact O-CE 3.27Å; F146-K211 WeakPolarHBondContact O-CE 3.36Å; F146-K211 PolarHBondContact O-NZ 2.82Å; A147-K211 PolarHBondContact O-NZ 3.07Å; G149-K211 PolarHBondContact O-NZ 2.82Å; Y206-K211 HydrophobicContact CD2-CB 4.17Å; Y206-K211 HydrophobicContact CE2-CB 4.03Å; K211-V213 VanDerWaalsContact C-N 3.29Å; K211-V213 PolarHBondContact O-N 3.48Å; K211-P214 WeakPolarHBondContact O-CD 3.47Å; K211-F215 HydrophobicContact CG-CD2 4.41Å; K211-F215 HydrophobicContact CG-CE2 4.01Å; K211-F215 WeakPolarHBondContact O-CD2 3.24Å |
| 212 | P | 87.2 | Confident | 84.1 | Confident | 56 Ų | 56 | 48.3 Ų | 48.3 | 36% | 0.364 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.8 | -28.6 | -169.3 | -22 | 34.3 | 0 | 0 | 0 | 113.8 | A147 F215 L216 | A147-P212 HydrophobicContact CB-CB 4.45Å; P212-F215 PolarHBondContact O-N 3.14Å; P212-L216 HydrophobicContact CB-CD1 4.26Å; P212-L216 WeakPolarHBondContact O-CB 3.38Å; P212-L216 WeakPolarHBondContact O-CG 3.4Å; P212-L216 PolarHBondContact O-N 2.91Å |
| 213 | V | 89.5 | Confident | 84.5 | Confident | 48 Ų | 48 | 52.8 Ų | 52.8 | 29% | 0.291 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.4 | -50.6 | -168.7 | 176.5 | 0 | 0 | 0 | 0 | 113.5 | L205 A209 G210 K211 F215 L216 V217 | L205-V213 HydrophobicContact CD2-CG1 4.33Å; A209-V213 HydrophobicContact CB-CB 3.89Å; A209-V213 HydrophobicContact CB-CG1 3.91Å; A209-V213 HydrophobicContact CB-CG2 3.78Å; A209-V213 VanDerWaalsContact O-CG2 3.31Å; A209-V213 WeakPolarHBondContact O-CG2 3.36Å; G210-V213 PolarHBondContact O-N 2.95Å; K211-V213 VanDerWaalsContact C-N 3.29Å; K211-V213 PolarHBondContact O-N 3.48Å; V213-F215 VanDerWaalsContact C-N 3.26Å; V213-F215 PolarHBondContact O-N 3.49Å; V213-L216 PolarHBondContact O-N 3.03Å; V213-V217 HydrophobicContact CG1-CG2 4.45Å; V213-V217 WeakPolarHBondContact O-CG2 3.49Å; V213-V217 PolarHBondContact O-N 3.49Å |
| 214 | P | 86 | Confident | 85.2 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -52.5 | -43.5 | 175.6 | -16.2 | 15.2 | 0 | 0 | 0 | 113.1 | V50 I54 F201 L205 G210 K211 L218 | V50-P214 HydrophobicContact CG2-CB 4.11Å; I54-P214 HydrophobicContact CD1-CB 4.21Å; I54-P214 HydrophobicContact CD1-CG 3.86Å; F201-P214 HydrophobicContact CE1-CB 4.22Å; L205-P214 HydrophobicContact CB-CB 4.28Å; L205-P214 HydrophobicContact CB-CG 3.7Å; L205-P214 HydrophobicContact CD1-CB 4.42Å; G210-P214 VanDerWaalsContact O-CD 3.28Å; G210-P214 WeakPolarHBondContact O-CD 3.36Å; K211-P214 WeakPolarHBondContact O-CD 3.47Å; P214-L218 WeakPolarHBondContact O-CG 3.17Å; P214-L218 PolarHBondContact O-N 3.27Å |
| 215 | F | 87.9 | Confident | 85.3 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -73.9 | -37.7 | -178.4 | -58.5 | -73 | 0 | 0 | 0 | 112.5 | L47 V50 I51 I54 T143 F146 A147 K211 P212 V213 V217 L218 S219 | L47-F215 HydrophobicContact CD2-CD1 4.36Å; V50-F215 HydrophobicContact CG1-CD1 4.43Å; V50-F215 HydrophobicContact CG1-CE1 3.82Å; V50-F215 HydrophobicContact CG1-CZ 4.47Å; I51-F215 HydrophobicContact CG2-CE1 3.66Å; I51-F215 HydrophobicContact CG2-CZ 3.8Å; I54-F215 HydrophobicContact CD1-CE2 4.17Å; I54-F215 HydrophobicContact CD1-CZ 4.15Å; T143-F215 HydrophobicContact CG2-CB 4.13Å; T143-F215 WeakPolarHBondContact CG2-O 3.38Å; F146-F215 HydrophobicContact CB-CD1 4.01Å; F146-F215 HydrophobicContact CB-CE1 4.31Å; F146-F215 HydrophobicContact CB-CG 4.29Å; F146-F215 HydrophobicContact CD1-CD1 4.35Å; F146-F215 AromaticContact CD1-CE1 3.81Å; F146-F215 HydrophobicContact CD1-CE1 3.81Å; F146-F215 HydrophobicContact CD1-CE2 4.43Å; F146-F215 AromaticContact CD1-CZ 3.87Å; F146-F215 HydrophobicContact CD1-CZ 3.87Å; F146-F215 HydrophobicContact CE1-CE1 4.49Å; F146-F215 HydrophobicContact CE1-CZ 4.44Å; F146-F215 HydrophobicContact CG-CD1 4.4Å; F146-F215 HydrophobicContact CG-CE1 4.23Å; A147-F215 HydrophobicContact CB-CB 3.77Å; K211-F215 HydrophobicContact CG-CD2 4.41Å; K211-F215 HydrophobicContact CG-CE2 4.01Å; K211-F215 WeakPolarHBondContact O-CD2 3.24Å; P212-F215 PolarHBondContact O-N 3.14Å; V213-F215 VanDerWaalsContact C-N 3.26Å; V213-F215 PolarHBondContact O-N 3.49Å; F215-V217 VanDerWaalsContact C-N 3.35Å; F215-V217 PolarHBondContact O-N 3.37Å; F215-L218 PolarHBondContact O-N 3.06Å; F215-S219 WeakPolarHBondContact O-CB 3.24Å; F215-S219 PolarHBondContact O-N 3.39Å |
| 216 | L | 88.9 | Confident | 85.1 | Confident | 96 Ų | 96 | 51.3 Ų | 51.3 | 50% | 0.503 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.9 | -38.6 | 176 | -76.5 | 172.4 | 0 | 0 | 0 | 112.3 | A147 P212 V213 S219 F220 | A147-L216 HydrophobicContact CB-CD2 4.49Å; A147-L216 HydrophobicContact CB-CG 4.26Å; P212-L216 HydrophobicContact CB-CD1 4.26Å; P212-L216 WeakPolarHBondContact O-CB 3.38Å; P212-L216 WeakPolarHBondContact O-CG 3.4Å; P212-L216 PolarHBondContact O-N 2.91Å; V213-L216 PolarHBondContact O-N 3.03Å; L216-S219 PolarHBondContact O-N 3.25Å; L216-F220 PolarHBondContact O-N 3.47Å |
| 217 | V | 89 | Confident | 85.2 | Confident | 62 Ų | 62 | 56.3 Ų | 56.3 | 38% | 0.376 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.2 | -47.6 | 174.2 | 173 | 0 | 0 | 0 | 0 | 110.4 | F201 V213 F215 S219 F220 V221 | F201-V217 HydrophobicContact CE2-CG1 4.4Å; F201-V217 HydrophobicContact CZ-CB 4.26Å; F201-V217 HydrophobicContact CZ-CG1 3.95Å; V213-V217 HydrophobicContact CG1-CG2 4.45Å; V213-V217 WeakPolarHBondContact O-CG2 3.49Å; V213-V217 PolarHBondContact O-N 3.49Å; F215-V217 VanDerWaalsContact C-N 3.35Å; F215-V217 PolarHBondContact O-N 3.37Å; V217-S219 PolarHBondContact O-N 3.14Å; V217-F220 PolarHBondContact O-N 2.87Å; V217-V221 WeakPolarHBondContact O-CG2 3.32Å; V217-V221 PolarHBondContact O-N 2.96Å; V217-V221 VanDerWaalsContact O-N 3.13Å |
| 218 | L | 87.3 | Confident | 85.2 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.5 | -39.5 | 178.5 | -68.1 | 169.3 | 0 | 0 | 0 | 112.4 | L43 M46 L47 V50 T143 F201 P214 F215 F220 V221 C222 | L43-L218 HydrophobicContact CD2-CD2 4.09Å; M46-L218 HydrophobicContact CB-CD2 4.02Å; M46-L218 HydrophobicContact CE-CD2 4.1Å; M46-L218 HydrophobicContact SD-CD2 4.05Å; L47-L218 HydrophobicContact CD2-CD1 4.16Å; L47-L218 HydrophobicContact CG-CD1 4.11Å; V50-L218 HydrophobicContact CB-CD1 4.34Å; V50-L218 HydrophobicContact CG1-CD1 3.96Å; V50-L218 HydrophobicContact CG2-CD1 4.33Å; T143-L218 HydrophobicContact CG2-CB 4.19Å; F201-L218 HydrophobicContact CE1-CD1 4.05Å; F201-L218 HydrophobicContact CE1-CD2 4.24Å; F201-L218 HydrophobicContact CE1-CG 4.01Å; F201-L218 HydrophobicContact CZ-CD2 4.49Å; F201-L218 HydrophobicContact CZ-CG 4.39Å; P214-L218 WeakPolarHBondContact O-CG 3.17Å; P214-L218 PolarHBondContact O-N 3.27Å; F215-L218 PolarHBondContact O-N 3.06Å; L218-F220 VanDerWaalsContact C-N 3.33Å; L218-F220 PolarHBondContact O-N 2.97Å; L218-V221 PolarHBondContact O-N 3.2Å; L218-C222 WeakPolarHBondContact O-CB 3.11Å; L218-C222 PolarHBondContact O-N 3.48Å |
| 219 | S | 86.4 | Confident | 84.9 | Confident | 7 Ų | 7 | 45.1 Ų | 45.1 | 5% | 0.049 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.3 | -39.7 | 174.7 | -178.5 | 0 | 0 | 0 | 0 | 111.8 | F140 F215 L216 V217 C222 L223 | F140-S219 WeakPolarHBondContact CD2-O 3.06Å; F140-S219 VanDerWaalsContact CD2-OG 3.23Å; F140-S219 WeakPolarHBondContact CD2-OG 3.26Å; F140-S219 WeakPolarHBondContact CE2-OG 3.44Å; F215-S219 WeakPolarHBondContact O-CB 3.24Å; F215-S219 PolarHBondContact O-N 3.39Å; L216-S219 PolarHBondContact O-N 3.25Å; V217-S219 PolarHBondContact O-N 3.14Å; S219-C222 WeakPolarHBondContact O-CB 3.38Å; S219-C222 PolarHBondContact O-N 3.25Å; S219-L223 PolarHBondContact O-N 2.9Å |
| 220 | F | 88.6 | Confident | 84.5 | Confident | 124 Ų | 124 | 49 Ų | 49 | 54% | 0.544 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66 | -41.5 | 176.3 | -176.9 | -103.2 | 0 | 0 | 0 | 112.7 | L216 V217 L218 C222 L223 L224 | L216-F220 PolarHBondContact O-N 3.47Å; V217-F220 PolarHBondContact O-N 2.87Å; L218-F220 VanDerWaalsContact C-N 3.33Å; L218-F220 PolarHBondContact O-N 2.97Å; F220-C222 VanDerWaalsContact C-N 3.33Å; F220-L223 WeakPolarHBondContact O-CB 3.19Å; F220-L223 PolarHBondContact O-N 3.16Å; F220-L224 HydrophobicContact CD1-CD1 4.1Å; F220-L224 HydrophobicContact CE1-CD1 3.64Å; F220-L224 HydrophobicContact CE1-CG 4.17Å; F220-L224 HydrophobicContact CZ-CD1 4.24Å; F220-L224 HydrophobicContact CZ-CD2 4.49Å; F220-L224 HydrophobicContact CZ-CG 4.37Å; F220-L224 PolarHBondContact O-N 2.87Å; F220-L224 VanDerWaalsContact O-N 3.08Å |
| 221 | V | 87.8 | Confident | 84.1 | Confident | 52 Ų | 52 | 52.5 Ų | 52.5 | 32% | 0.315 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.1 | -38.5 | 175.9 | -177.2 | 0 | 0 | 0 | 0 | 110.9 | T39 L43 V217 L218 L223 L224 D225 | T39-V221 HydrophobicContact CG2-CG1 4.38Å; L43-V221 HydrophobicContact CD1-CG1 4.14Å; L43-V221 HydrophobicContact CD2-CB 3.84Å; L43-V221 HydrophobicContact CD2-CG1 3.75Å; L43-V221 HydrophobicContact CG-CG1 4.29Å; V217-V221 WeakPolarHBondContact O-CG2 3.32Å; V217-V221 PolarHBondContact O-N 2.96Å; V217-V221 VanDerWaalsContact O-N 3.13Å; L218-V221 PolarHBondContact O-N 3.2Å; V221-L223 VanDerWaalsContact C-N 3.31Å; V221-L223 PolarHBondContact O-N 3.31Å; V221-L224 PolarHBondContact O-N 3.43Å; V221-D225 PolarHBondContact O-N 3.34Å |
| 222 | C | 83.7 | Confident | 83.4 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.014 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.6 | -39.3 | 173.3 | -172 | 0 | 0 | 0 | 0 | 112.2 | L43 L218 S219 F220 D225 G226 | L43-C222 HydrophobicContact CD1-CB 3.99Å; L218-C222 WeakPolarHBondContact O-CB 3.11Å; L218-C222 PolarHBondContact O-N 3.48Å; S219-C222 WeakPolarHBondContact O-CB 3.38Å; S219-C222 PolarHBondContact O-N 3.25Å; F220-C222 VanDerWaalsContact C-N 3.33Å; C222-D225 PolarHBondContact O-N 2.85Å; C222-G226 PolarHBondContact O-N 2.72Å |
| 223 | L | 86.1 | Confident | 82.2 | Confident | 95 Ų | 95 | 53.1 Ų | 53.1 | 50% | 0.497 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 175.4 | -174.2 | 68.4 | 0 | 0 | 0 | 112.3 | F140 S219 F220 V221 G226 F227 | F140-L223 HydrophobicContact CD2-CB 4.21Å; F140-L223 HydrophobicContact CE2-CB 4.13Å; F140-L223 HydrophobicContact CE2-CD1 4.33Å; S219-L223 PolarHBondContact O-N 2.9Å; F220-L223 WeakPolarHBondContact O-CB 3.19Å; F220-L223 PolarHBondContact O-N 3.16Å; V221-L223 VanDerWaalsContact C-N 3.31Å; V221-L223 PolarHBondContact O-N 3.31Å; L223-G226 PolarHBondContact O-N 3.03Å; L223-F227 PolarHBondContact O-N 3.5Å |
| 224 | L | 86.8 | Confident | 80.5 | Confident | 91 Ų | 91 | 55.3 Ų | 55.3 | 48% | 0.476 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 175.6 | -73 | 175 | 0 | 0 | 0 | 111.8 | F220 V221 F227 M228 | F220-L224 HydrophobicContact CD1-CD1 4.1Å; F220-L224 HydrophobicContact CE1-CD1 3.64Å; F220-L224 HydrophobicContact CE1-CG 4.17Å; F220-L224 HydrophobicContact CZ-CD1 4.24Å; F220-L224 HydrophobicContact CZ-CD2 4.49Å; F220-L224 HydrophobicContact CZ-CG 4.37Å; F220-L224 PolarHBondContact O-N 2.87Å; F220-L224 VanDerWaalsContact O-N 3.08Å; V221-L224 PolarHBondContact O-N 3.43Å; L224-F227 WeakPolarHBondContact O-CB 3.47Å; L224-F227 PolarHBondContact O-N 2.71Å; L224-F227 VanDerWaalsContact O-N 3.14Å; L224-M228 WeakPolarHBondContact O-CG 3.47Å; L224-M228 PolarHBondContact O-N 2.86Å |
| 225 | D | 83 | Confident | 78.4 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.2 | -41.5 | 177.5 | -165.2 | 43.2 | 0 | 0 | 0 | 111.5 | I36 T39 A40 V221 C222 F227 M228 V229 | I36-D225 WeakPolarHBondContact CA-OD1 3.38Å; T39-D225 HydrophobicContact CG2-CB 4.07Å; A40-D225 PolarHBondContact N-OD2 3.34Å; V221-D225 PolarHBondContact O-N 3.34Å; C222-D225 PolarHBondContact O-N 2.85Å; D225-F227 VanDerWaalsContact C-N 3.27Å; D225-F227 PolarHBondContact O-N 2.95Å; D225-M228 WeakPolarHBondContact O-CB 3.2Å; D225-M228 PolarHBondContact O-N 3.03Å; D225-M228 VanDerWaalsContact O-N 3.08Å; D225-V229 PolarHBondContact O-N 3.06Å |
| 226 | G | 79.9 | Confident | 75.8 | Confident | 17 Ų | 17 | 69.1 Ų | 69.1 | 18% | 0.175 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -56.4 | -39.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | C222 L223 V229 F230 | C222-G226 PolarHBondContact O-N 2.72Å; L223-G226 PolarHBondContact O-N 3.03Å; G226-V229 WeakPolarHBondContact O-CB 3.49Å; G226-V229 PolarHBondContact O-N 2.91Å; G226-F230 WeakPolarHBondContact O-CD2 3.45Å; G226-F230 PolarHBondContact O-N 3.43Å; G226-F230 VanDerWaalsContact O-N 3.11Å |
| 227 | F | 82.9 | Confident | 73.3 | Confident | 134 Ų | 134 | 71.3 Ų | 71.3 | 59% | 0.588 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -67.9 | -37.4 | 175.8 | -160.7 | -99.7 | 0 | 0 | 0 | 112.5 | L223 L224 D225 V229 F230 M231 | L223-F227 PolarHBondContact O-N 3.5Å; L224-F227 WeakPolarHBondContact O-CB 3.47Å; L224-F227 PolarHBondContact O-N 2.71Å; L224-F227 VanDerWaalsContact O-N 3.14Å; D225-F227 VanDerWaalsContact C-N 3.27Å; D225-F227 PolarHBondContact O-N 2.95Å; F227-V229 VanDerWaalsContact C-N 3.34Å; F227-V229 PolarHBondContact O-N 3.06Å; F227-F230 PolarHBondContact O-N 3.02Å; F227-M231 HydrophobicContact CD1-CE 4.08Å; F227-M231 HydrophobicContact CD1-CG 4.47Å; F227-M231 HydrophobicContact CD1-SD 4.36Å; F227-M231 HydrophobicContact CE1-CE 3.47Å; F227-M231 VanDerWaalsContact CE1-CE 3.47Å; F227-M231 HydrophobicContact CE1-CG 4.45Å; F227-M231 HydrophobicContact CE1-SD 4.31Å; F227-M231 HydrophobicContact CZ-CE 4.4Å; F227-M231 PolarHBondContact O-N 2.97Å |
| 228 | M | 79.2 | Confident | 70.8 | Confident | 66 Ų | 66 | 72.6 Ų | 72.6 | 33% | 0.325 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.9 | -38.7 | 174.6 | -66.1 | -174.1 | 77.5 | 0 | 0 | 111.9 | L32 I35 I36 L224 D225 M231 L232 | L32-M228 HydrophobicContact CD2-CE 4.24Å; I35-M228 HydrophobicContact CG2-CE 4.12Å; I36-M228 HydrophobicContact CD1-CB 4.11Å; I36-M228 HydrophobicContact CG1-CB 3.88Å; L224-M228 WeakPolarHBondContact O-CG 3.47Å; L224-M228 PolarHBondContact O-N 2.86Å; D225-M228 WeakPolarHBondContact O-CB 3.2Å; D225-M228 PolarHBondContact O-N 3.03Å; D225-M228 VanDerWaalsContact O-N 3.08Å; M228-M231 PolarHBondContact O-N 3.36Å; M228-L232 PolarHBondContact O-N 2.89Å |
| 229 | V | 75.8 | Confident | 68.4 | Low | 2 Ų | 2 | 81.4 Ų | 81.4 | 1% | 0.012 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -59.8 | -47.5 | 172.3 | 169.6 | 0 | 0 | 0 | 0 | 111.3 | I36 M132 I133 L136 D225 G226 F227 M231 L232 I233 | I36-V229 HydrophobicContact CD1-CG2 4.16Å; I36-V229 HydrophobicContact CG1-CG2 4.47Å; I36-V229 HydrophobicContact CG2-CG2 3.41Å; I36-V229 VanDerWaalsContact CG2-CG2 3.41Å; M132-V229 HydrophobicContact CE-CB 4.13Å; M132-V229 HydrophobicContact CE-CG1 3.52Å; M132-V229 HydrophobicContact CE-CG2 3.46Å; M132-V229 VanDerWaalsContact CE-CG2 3.46Å; M132-V229 HydrophobicContact SD-CG2 4.12Å; I133-V229 HydrophobicContact CG1-CG1 3.8Å; L136-V229 HydrophobicContact CD1-CB 4.45Å; L136-V229 HydrophobicContact CD1-CG2 3.67Å; D225-V229 PolarHBondContact O-N 3.06Å; G226-V229 WeakPolarHBondContact O-CB 3.49Å; G226-V229 PolarHBondContact O-N 2.91Å; F227-V229 VanDerWaalsContact C-N 3.34Å; F227-V229 PolarHBondContact O-N 3.06Å; V229-M231 VanDerWaalsContact C-N 3.25Å; V229-M231 PolarHBondContact O-N 3.47Å; V229-L232 PolarHBondContact O-N 3.31Å; V229-I233 HydrophobicContact CG1-CD1 3.53Å; V229-I233 HydrophobicContact CG1-CG1 4.3Å; V229-I233 WeakPolarHBondContact O-CG1 3.48Å; V229-I233 PolarHBondContact O-N 2.89Å |
| 230 | F | 75 | Confident | 65.8 | Low | 132 Ų | 132 | 87.7 Ų | 87.7 | 58% | 0.579 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -61 | -33 | 177.4 | -91.8 | -73 | 0 | 0 | 0 | 113 | G226 F227 L232 | G226-F230 WeakPolarHBondContact O-CD2 3.45Å; G226-F230 PolarHBondContact O-N 3.43Å; G226-F230 VanDerWaalsContact O-N 3.11Å; F227-F230 PolarHBondContact O-N 3.02Å; F230-L232 VanDerWaalsContact C-N 3.31Å; F230-L232 PolarHBondContact O-N 2.93Å |
| 231 | M | 71.3 | Confident | 63.3 | Low | 102 Ų | 102 | 90.4 Ų | 90.4 | 50% | 0.502 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.3 | -28.7 | 174 | -76.3 | -174.7 | 159 | 0 | 0 | 113.4 | F227 M228 V229 | F227-M231 HydrophobicContact CD1-CE 4.08Å; F227-M231 HydrophobicContact CD1-CG 4.47Å; F227-M231 HydrophobicContact CD1-SD 4.36Å; F227-M231 HydrophobicContact CE1-CE 3.47Å; F227-M231 VanDerWaalsContact CE1-CE 3.47Å; F227-M231 HydrophobicContact CE1-CG 4.45Å; F227-M231 HydrophobicContact CE1-SD 4.31Å; F227-M231 HydrophobicContact CZ-CE 4.4Å; F227-M231 PolarHBondContact O-N 2.97Å; M228-M231 PolarHBondContact O-N 3.36Å; V229-M231 VanDerWaalsContact C-N 3.25Å; V229-M231 PolarHBondContact O-N 3.47Å |
| 232 | L | 68.2 | Low | 60.7 | Low | 40 Ų | 40 | 94.6 Ų | 94.6 | 21% | 0.209 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -86.3 | -27.4 | -178.1 | -159.1 | 122.8 | 0 | 0 | 0 | 112.4 | L32 V33 I36 M228 V229 F230 H234 | L32-L232 HydrophobicContact CB-CD1 3.72Å; L32-L232 HydrophobicContact CD2-CD1 3.55Å; L32-L232 HydrophobicContact CG-CD1 4.12Å; V33-L232 HydrophobicContact CG2-CD1 4Å; V33-L232 HydrophobicContact CG2-CD2 3.66Å; I36-L232 HydrophobicContact CD1-CB 4.33Å; I36-L232 HydrophobicContact CD1-CD1 4.24Å; M228-L232 PolarHBondContact O-N 2.89Å; V229-L232 PolarHBondContact O-N 3.31Å; F230-L232 VanDerWaalsContact C-N 3.31Å; F230-L232 PolarHBondContact O-N 2.93Å; L232-H234 PolarHBondContact O-N 2.87Å; L232-H234 VanDerWaalsContact O-N 3.16Å |
| 233 | I | 62.8 | Low | 58.4 | Low | 41 Ų | 41 | 97.7 Ų | 97.7 | 21% | 0.21 | 52% | 0.518 | C | S | . | . | trans | -79.7 | 98.1 | 178.8 | -63.5 | 169.3 | 0 | 0 | 0 | 109.2 | E129 I133 V229 P235 | E129-I233 HydrophobicContact CB-CD1 4.32Å; I133-I233 HydrophobicContact CD1-CD1 3.31Å; I133-I233 HydrophobicContact CG1-CD1 3.93Å; V229-I233 HydrophobicContact CG1-CD1 3.53Å; V229-I233 HydrophobicContact CG1-CG1 4.3Å; V229-I233 WeakPolarHBondContact O-CG1 3.48Å; V229-I233 PolarHBondContact O-N 2.89Å; I233-P235 VanDerWaalsContact O-CD 3.25Å; I233-P235 WeakPolarHBondContact O-CD 3.39Å | ||
| 234 | H | 54.7 | Low | 55.8 | Low | 93 Ų | 93 | 99.9 Ų | 99.9 | 43% | 0.431 | 53% | 0.526 | S | S | . | . | trans | -83.9 | 110.8 | 161.4 | -75.9 | -48.4 | 0 | 0 | 0 | 109.5 | L232 K236 | L232-H234 PolarHBondContact O-N 2.87Å; L232-H234 VanDerWaalsContact O-N 3.16Å; H234-K236 PolarHBondContact O-N 2.8Å | ||
| 235 | P | 40.3 | Very low | 53.8 | Low | 98 Ų | 98 | 101.9 Ų | 101.9 | 64% | 0.636 | 53% | 0.527 | S | S | * | . | trans | -71.7 | 126.4 | 168.1 | 31.5 | -30.1 | 0 | 0 | 0 | 106.9 | I233 | I233-P235 VanDerWaalsContact O-CD 3.25Å; I233-P235 WeakPolarHBondContact O-CD 3.39Å | ||
| 236 | K | 35 | Very low | 51.8 | Low | 193 Ų | 193 | 106.6 Ų | 106.6 | 84% | 0.839 | 56% | 0.555 | S | S | * | * | S | Bend | trans | 116.4 | 20 | 152.7 | -57.5 | 174.7 | 175.3 | -174.7 | 0 | 121.1 | H234 | H234-K236 PolarHBondContact O-N 2.8Š|
| 237 | T | 34.6 | Very low | 50.2 | Low | 142 Ų | 142 | 114.6 Ų | 114.6 | 87% | 0.871 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -148.2 | 21.6 | 175.2 | -14.6 | 0 | 0 | 0 | 0 | 119.7 | ||
| 238 | A | 37.4 | Very low | 48.7 | Very low | 89 Ų | 89 | 109 Ų | 109 | 74% | 0.736 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -149.3 | 21.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | T240 | A238-T240 VanDerWaalsContact C-N 3.28Å; A238-T240 PolarHBondContact O-N 3.05Å |
| 239 | R | 36.5 | Very low | 47.5 | Very low | 188 Ų | 188 | 107.1 Ų | 107.1 | 71% | 0.709 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | 11 | -177.1 | -90.6 | -173.2 | 179.7 | -176.8 | 0.7 | 114.9 | E129 | E129-R239 IonicContact OE2-NH2 2.74Å; E129-R239 PolarHBondContact OE2-NH2 2.98Å |
| 240 | T | 33.1 | Very low | 47 | Very low | 139 Ų | 139 | 111.4 Ų | 111.4 | 85% | 0.853 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127 | 11.2 | -173.7 | -19.6 | 0 | 0 | 0 | 0 | 114.6 | A238 | A238-T240 VanDerWaalsContact C-N 3.28Å; A238-T240 PolarHBondContact O-N 3.05Å |
| 241 | E | 35.7 | Very low | 46.9 | Very low | 181 Ų | 181 | 105.3 Ų | 105.3 | 85% | 0.846 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -128.2 | 9 | -176.7 | -70.8 | -171.1 | 168.6 | 0 | 0 | 115.8 | ||
| 242 | M | 33 | Very low | 47.2 | Very low | 141 Ų | 141 | 107.3 Ų | 107.3 | 70% | 0.695 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -97.2 | 102.5 | 159.2 | -77.5 | -174.7 | 75 | 0 | 0 | 107.4 | ||
| 243 | G | 34.6 | Very low | 47.7 | Very low | 66 Ų | 66 | 114 Ų | 114 | 68% | 0.68 | 58% | 0.583 | S | S | * | * | trans | -43.8 | 147 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | R245 | G243-R245 PolarHBondContact O-N 2.88Š| ||
| 244 | E | 32.8 | Very low | 48.6 | Very low | 142 Ų | 142 | 112.1 Ų | 112.1 | 66% | 0.664 | 57% | 0.573 | S | S | * | * | trans | -18.9 | 111.7 | -176.4 | -72.9 | 179.2 | 131.4 | 0 | 0 | 113.3 | V246 R670 | E244-V246 VanDerWaalsContact C-N 3.26Å; E244-V246 PolarHBondContact O-N 3.34Å; E244-R670 IonicContact OE2-CZ 3.01Å; E244-R670 IonicContact OE2-NH1 2.97Å; E244-R670 IonicContact OE2-NH2 3.86Å; E244-R670 PolarHBondContact OE2-NH2 3.41Å | ||
| 245 | R | 44.2 | Very low | 50 | Low | 133 Ų | 133 | 110.6 Ų | 110.6 | 50% | 0.502 | 57% | 0.568 | S | S | . | * | trans | -56.3 | 95 | 170.9 | -74.7 | 174.3 | 170.9 | 165.7 | 0 | 107.8 | D124 R125 I126 G127 G243 K247 | D124-R245 WeakPolarHBondContact O-CD 3.35Å; R125-R245 VanDerWaalsContact C-NH1 3.29Å; R125-R245 WeakPolarHBondContact O-CD 3.22Å; R125-R245 PolarHBondContact O-NH1 2.76Å; I126-R245 VanDerWaalsContact CA-NH1 3.33Å; I126-R245 PolarHBondContact O-NH1 3.16Å; G127-R245 VanDerWaalsContact N-NH1 3.19Å; G243-R245 PolarHBondContact O-N 2.88Å; R245-K247 PolarHBondContact O-N 3.2Å | ||
| 246 | V | 41.9 | Very low | 52.1 | Low | 99 Ų | 99 | 112.8 Ų | 112.8 | 60% | 0.6 | 57% | 0.574 | S | S | * | * | trans | -53.2 | 131.9 | 178.6 | -179.1 | 0 | 0 | 0 | 0 | 107 | E244 G248 | E244-V246 VanDerWaalsContact C-N 3.26Å; E244-V246 PolarHBondContact O-N 3.34Å; V246-G248 PolarHBondContact O-N 2.98Å | ||
| 247 | K | 44.9 | Very low | 54.6 | Low | 186 Ų | 186 | 104.1 Ų | 104.1 | 81% | 0.809 | 54% | 0.537 | S | S | * | . | trans | -57.1 | 90.6 | 168.9 | -82 | 179.2 | 178.8 | 171 | 0 | 107.8 | R245 | R245-K247 PolarHBondContact O-N 3.2Š| ||
| 248 | G | 51.3 | Low | 57.1 | Low | 17 Ų | 17 | 101.3 Ų | 101.3 | 18% | 0.175 | 52% | 0.521 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 152.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | V246 N250 | V246-G248 PolarHBondContact O-N 2.98Å; G248-N250 PolarHBondContact O-N 3.01Å |
| 249 | P | 54 | Low | 59.6 | Low | 25 Ų | 25 | 99.7 Ų | 99.7 | 16% | 0.162 | 50% | 0.496 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 134.8 | 175.3 | 23.1 | -32.6 | 0 | 0 | 0 | 110.7 | R253 L254 H383 V386 | P249-R253 HydrophobicContact CB-CB 4.16Å; P249-R253 HydrophobicContact CB-CG 4.49Å; P249-L254 HydrophobicContact CG-CD2 4.2Å; P249-L254 HydrophobicContact CG-CG 4.32Å; P249-H383 HydrophobicContact CG-CB 4.44Å; P249-V386 HydrophobicContact CG-CG2 4.34Å |
| 250 | N | 65.8 | Low | 62.1 | Low | 93 Ų | 93 | 90.8 Ų | 90.8 | 50% | 0.497 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 148.6 | 177.6 | -51.5 | -5.7 | 0 | 0 | 0 | 110.4 | M121 G248 F252 R253 L254 | M121-N250 HydrophobicContact CE-CB 4.19Å; G248-N250 PolarHBondContact O-N 3.01Å; N250-F252 PolarHBondContact O-N 3.44Å; N250-R253 WeakPolarHBondContact O-CB 3.35Å; N250-R253 PolarHBondContact O-N 3.03Å; N250-L254 PolarHBondContact O-N 3.22Å |
| 251 | V | 72.9 | Confident | 64.9 | Low | 3 Ų | 3 | 85.9 Ų | 85.9 | 2% | 0.018 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -42.3 | -41.3 | 178.2 | 174.4 | 0 | 0 | 0 | 0 | 113.2 | R253 L254 L255 A392 I393 I396 | V251-R253 VanDerWaalsContact C-N 3.33Å; V251-R253 PolarHBondContact O-N 3.05Å; V251-L254 PolarHBondContact O-N 3.4Å; V251-L255 HydrophobicContact CG1-CD1 4.37Å; V251-L255 PolarHBondContact O-N 3.06Å; V251-A392 HydrophobicContact CG2-CB 4.48Å; V251-I393 HydrophobicContact CG1-CD1 4.37Å; V251-I393 HydrophobicContact CG1-CG1 3.73Å; V251-I396 HydrophobicContact CG1-CD1 4.11Å |
| 252 | F | 77.7 | Confident | 67.6 | Low | 145 Ų | 145 | 78.1 Ų | 78.1 | 64% | 0.636 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -59.5 | -37.7 | 176.9 | -68.9 | -76.9 | 0 | 0 | 0 | 114.3 | N250 L255 L256 | N250-F252 PolarHBondContact O-N 3.44Å; F252-L255 PolarHBondContact O-N 3.09Å; F252-L256 WeakPolarHBondContact O-CG 3.43Å; F252-L256 PolarHBondContact O-N 2.81Å |
| 253 | R | 79 | Confident | 70.4 | Confident | 181 Ų | 181 | 71.4 Ų | 71.4 | 68% | 0.683 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -74.9 | -31 | -179.6 | -158.1 | -178.9 | -170.4 | -179 | 2.5 | 111.6 | P249 N250 V251 L256 | P249-R253 HydrophobicContact CB-CB 4.16Å; P249-R253 HydrophobicContact CB-CG 4.49Å; N250-R253 WeakPolarHBondContact O-CB 3.35Å; N250-R253 PolarHBondContact O-N 3.03Å; V251-R253 VanDerWaalsContact C-N 3.33Å; V251-R253 PolarHBondContact O-N 3.05Å; R253-L256 PolarHBondContact O-N 3.28Å |
| 254 | L | 82 | Confident | 73.1 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69.3 | -40.5 | 171.9 | -71.9 | 168.7 | 0 | 0 | 0 | 111.5 | P249 N250 V251 L256 D257 I260 V379 H383 V390 I393 | P249-L254 HydrophobicContact CG-CD2 4.2Å; P249-L254 HydrophobicContact CG-CG 4.32Å; N250-L254 PolarHBondContact O-N 3.22Å; V251-L254 PolarHBondContact O-N 3.4Å; L254-L256 PolarHBondContact O-N 3.14Å; L254-D257 VanDerWaalsContact O-CB 3.32Å; L254-D257 WeakPolarHBondContact O-CB 3.27Å; L254-D257 PolarHBondContact O-N 3.15Å; L254-I260 HydrophobicContact CB-CD1 4.4Å; L254-I260 HydrophobicContact CD2-CD1 4.04Å; L254-V379 HydrophobicContact CD2-CG2 4.2Å; L254-H383 HydrophobicContact CD2-CB 3.93Å; L254-V390 HydrophobicContact CD1-CG2 4.07Å; L254-I393 HydrophobicContact CB-CD1 3.61Å |
| 255 | L | 82.5 | Confident | 75.9 | Confident | 62 Ų | 62 | 62.6 Ų | 62.6 | 33% | 0.325 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.2 | -24.6 | 175.1 | -100.3 | 161 | 0 | 0 | 0 | 113.8 | V251 F252 D257 A261 I393 | V251-L255 HydrophobicContact CG1-CD1 4.37Å; V251-L255 PolarHBondContact O-N 3.06Å; F252-L255 PolarHBondContact O-N 3.09Å; L255-D257 VanDerWaalsContact C-N 3.25Å; L255-D257 PolarHBondContact O-N 2.94Å; L255-A261 WeakPolarHBondContact O-CB 3.32Å; L255-I393 HydrophobicContact CD1-CG1 4.34Å; L255-I393 HydrophobicContact CD2-CG2 4.09Å; L255-I393 HydrophobicContact CG-CD1 4.06Å; L255-I393 HydrophobicContact CG-CG1 4.11Å; L255-I393 HydrophobicContact CG-CG2 4.13Å |
| 256 | L | 84.9 | Confident | 78.3 | Confident | 144 Ų | 144 | 56.2 Ų | 56.2 | 75% | 0.754 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -9.7 | 174.5 | -72.4 | 167 | 0 | 0 | 0 | 113 | F252 R253 L254 | F252-L256 WeakPolarHBondContact O-CG 3.43Å; F252-L256 PolarHBondContact O-N 2.81Å; R253-L256 PolarHBondContact O-N 3.28Å; L254-L256 PolarHBondContact O-N 3.14Å |
| 257 | D | 87.2 | Confident | 80.7 | Confident | 11 Ų | 11 | 51.5 Ų | 51.5 | 6% | 0.059 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -73.4 | 122.4 | 173 | -173.6 | -58.2 | 0 | 0 | 0 | 109.4 | L254 L255 Y259 I260 A261 R382 H383 | L254-D257 VanDerWaalsContact O-CB 3.32Å; L254-D257 WeakPolarHBondContact O-CB 3.27Å; L254-D257 PolarHBondContact O-N 3.15Å; L255-D257 VanDerWaalsContact C-N 3.25Å; L255-D257 PolarHBondContact O-N 2.94Å; D257-Y259 PolarHBondContact O-N 3.06Å; D257-Y259 WeakPolarHBondContact OD1-CB 3.35Å; D257-Y259 WeakPolarHBondContact OD1-CD2 3.44Å; D257-Y259 PolarHBondContact OD1-N 3.38Å; D257-I260 HydrophobicContact CB-CB 4.1Å; D257-I260 HydrophobicContact CB-CD1 3.93Å; D257-I260 HydrophobicContact CB-CG1 4.11Å; D257-I260 PolarHBondContact O-N 2.8Å; D257-I260 PolarHBondContact OD1-N 3.29Å; D257-A261 WeakPolarHBondContact O-CB 3.43Å; D257-A261 PolarHBondContact O-N 3Å; D257-R382 IonicContact OD1-NE 2.81Å; D257-R382 IonicContact OD2-CZ 3.11Å; D257-R382 IonicContact OD2-NE 3.25Å; D257-R382 PolarHBondContact OD2-NE 2.95Å; D257-R382 IonicContact OD2-NH2 2.9Å; D257-H383 IonicContact OD2-CE1 3.88Å; D257-H383 IonicContact OD2-NE2 3.96Å; D257-H383 PolarHBondContact OD2-NE2 3.27Å |
| 258 | P | 87.7 | Confident | 82.9 | Confident | 82 Ų | 82 | 43.7 Ų | 43.7 | 53% | 0.532 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.1 | -28.3 | -174 | 25.1 | -34.4 | 0 | 0 | 0 | 113.1 | T262 | P258-T262 WeakPolarHBondContact O-CB 2.86Å; P258-T262 PolarHBondContact O-N 3.41Å; P258-T262 PolarHBondContact O-OG1 2.9Å |
| 259 | Y | 89.6 | Confident | 84.9 | Confident | 56 Ų | 56 | 43.3 Ų | 43.3 | 22% | 0.22 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -76.5 | -41.7 | 178.5 | -60.3 | -82.7 | 0 | 0 | 0 | 111.4 | D257 T262 C263 L378 F438 V442 | D257-Y259 PolarHBondContact O-N 3.06Å; D257-Y259 WeakPolarHBondContact OD1-CB 3.35Å; D257-Y259 WeakPolarHBondContact OD1-CD2 3.44Å; D257-Y259 PolarHBondContact OD1-N 3.38Å; Y259-T262 PolarHBondContact O-N 3.03Å; Y259-C263 PolarHBondContact O-N 3.42Å; Y259-C263 VanDerWaalsContact O-N 3.1Å; Y259-C263 PolarHBondContact O-SG 3.29Å; Y259-L378 HydrophobicContact CG-CD2 4.3Å; Y259-F438 VanDerWaalsContact CE1-O 3.24Å; Y259-F438 WeakPolarHBondContact CE1-O 3.26Å; Y259-V442 HydrophobicContact CD1-CG2 3.42Å; Y259-V442 VanDerWaalsContact CD1-CG2 3.42Å; Y259-V442 HydrophobicContact CE1-CG2 3.79Å; Y259-V442 HydrophobicContact CG-CG2 4.08Å |
| 260 | I | 89.7 | Confident | 86.7 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.3 | -45 | 175.8 | -64.9 | 173.9 | 0 | 0 | 0 | 109.8 | L254 D257 T262 C263 A264 L375 L378 V379 I393 | L254-I260 HydrophobicContact CB-CD1 4.4Å; L254-I260 HydrophobicContact CD2-CD1 4.04Å; D257-I260 HydrophobicContact CB-CB 4.1Å; D257-I260 HydrophobicContact CB-CD1 3.93Å; D257-I260 HydrophobicContact CB-CG1 4.11Å; D257-I260 PolarHBondContact O-N 2.8Å; D257-I260 PolarHBondContact OD1-N 3.29Å; I260-T262 VanDerWaalsContact C-N 3.34Å; I260-T262 PolarHBondContact O-N 2.94Å; I260-C263 PolarHBondContact O-N 3.45Å; I260-A264 WeakPolarHBondContact O-CB 3.3Å; I260-A264 PolarHBondContact O-N 3.04Å; I260-L375 HydrophobicContact CB-CD2 4.28Å; I260-L375 HydrophobicContact CG1-CD2 4.29Å; I260-L375 HydrophobicContact CG2-CD2 3.88Å; I260-L378 HydrophobicContact CG1-CB 4.29Å; I260-L378 HydrophobicContact CG1-CD1 4.3Å; I260-V379 HydrophobicContact CD1-CG2 3.78Å; I260-I393 HydrophobicContact CG2-CD1 3.97Å |
| 261 | A | 91 | Very high | 87.8 | Confident | 37 Ų | 37 | 38.3 Ų | 38.3 | 31% | 0.306 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -58.6 | -42.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L255 D257 A264 G265 | L255-A261 WeakPolarHBondContact O-CB 3.32Å; D257-A261 WeakPolarHBondContact O-CB 3.43Å; D257-A261 PolarHBondContact O-N 3Å; A261-A264 PolarHBondContact O-N 3.02Å; A261-G265 PolarHBondContact O-N 3.44Å |
| 262 | T | 92.3 | Very high | 88.5 | Confident | 17 Ų | 17 | 39.6 Ų | 39.6 | 10% | 0.104 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.7 | -43.2 | 176.6 | -52.5 | 0 | 0 | 0 | 0 | 111.3 | P258 Y259 I260 A266 Y432 T435 I439 | P258-T262 WeakPolarHBondContact O-CB 2.86Å; P258-T262 PolarHBondContact O-N 3.41Å; P258-T262 PolarHBondContact O-OG1 2.9Å; Y259-T262 PolarHBondContact O-N 3.03Å; I260-T262 VanDerWaalsContact C-N 3.34Å; I260-T262 PolarHBondContact O-N 2.94Å; T262-A266 WeakPolarHBondContact O-CB 3.23Å; T262-A266 PolarHBondContact O-N 3.16Å; T262-Y432 PolarHBondContact O-OH 3.46Å; T262-T435 WeakPolarHBondContact CG2-O 3.23Å; T262-I439 HydrophobicContact CG2-CD1 3.81Å; T262-I439 HydrophobicContact CG2-CG1 3.92Å |
| 263 | C | 92.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.8 | -46.8 | 175.5 | -64.6 | 0 | 0 | 0 | 0 | 111.5 | Y259 I260 G265 A266 L267 L375 I439 | Y259-C263 PolarHBondContact O-N 3.42Å; Y259-C263 VanDerWaalsContact O-N 3.1Å; Y259-C263 PolarHBondContact O-SG 3.29Å; I260-C263 PolarHBondContact O-N 3.45Å; C263-G265 PolarHBondContact O-N 3.33Å; C263-A266 PolarHBondContact O-N 3.44Å; C263-L267 WeakPolarHBondContact O-CG 3.44Å; C263-L267 PolarHBondContact O-N 3.02Å; C263-L375 HydrophobicContact CB-CD1 4.21Å; C263-L375 HydrophobicContact CB-CD2 3.69Å; C263-L375 HydrophobicContact CB-CG 3.85Å; C263-I439 VanDerWaalsContact SG-CD1 3.58Å |
| 264 | A | 91.8 | Very high | 89.4 | Confident | 5 Ų | 5 | 24.8 Ų | 24.8 | 4% | 0.041 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61 | -42.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I260 A261 L267 V268 I393 S397 | I260-A264 WeakPolarHBondContact O-CB 3.3Å; I260-A264 PolarHBondContact O-N 3.04Å; A261-A264 PolarHBondContact O-N 3.02Å; A264-L267 PolarHBondContact O-N 2.83Å; A264-V268 WeakPolarHBondContact O-CG2 3.33Å; A264-V268 PolarHBondContact O-N 2.95Å; A264-V268 VanDerWaalsContact O-N 3.1Å; A264-I393 HydrophobicContact CB-CG2 3.74Å; A264-S397 WeakPolarHBondContact CA-OG 3.34Å; A264-S397 WeakPolarHBondContact CB-OG 3.46Å; A264-S397 WeakPolarHBondContact O-CB 3.31Å; A264-S397 PolarHBondContact O-OG 2.9Å |
| 265 | G | 92.5 | Very high | 89.5 | Confident | 18 Ų | 18 | 24.8 Ų | 24.8 | 19% | 0.186 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -70.3 | -32.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | A261 C263 V268 T269 Y432 | A261-G265 PolarHBondContact O-N 3.44Å; C263-G265 PolarHBondContact O-N 3.33Å; G265-V268 PolarHBondContact O-N 2.97Å; G265-T269 WeakPolarHBondContact O-CB 3.46Å; G265-T269 PolarHBondContact O-N 3.24Å; G265-T269 PolarHBondContact O-OG1 2.92Å; G265-Y432 VanDerWaalsContact CA-OH 3.31Å; G265-Y432 WeakPolarHBondContact CA-OH 3.44Å |
| 266 | A | 93.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.6 | -41 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | T262 C263 T269 A270 L334 L371 Y432 L436 | T262-A266 WeakPolarHBondContact O-CB 3.23Å; T262-A266 PolarHBondContact O-N 3.16Å; C263-A266 PolarHBondContact O-N 3.44Å; A266-T269 PolarHBondContact O-N 3.45Å; A266-A270 WeakPolarHBondContact O-CB 3.29Å; A266-A270 PolarHBondContact O-N 2.99Å; A266-L334 HydrophobicContact CB-CD1 4.41Å; A266-L371 HydrophobicContact CB-CD1 3.56Å; A266-Y432 HydrophobicContact CB-CD1 4.26Å; A266-Y432 HydrophobicContact CB-CE1 3.8Å; A266-Y432 VanDerWaalsContact N-CE1 3.33Å; A266-L436 HydrophobicContact CB-CD2 3.68Å; A266-L436 HydrophobicContact CB-CG 4.41Å |
| 267 | L | 92.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.5 | -40.9 | 174.9 | -69.1 | 170.6 | 0 | 0 | 0 | 112.2 | C263 A264 N271 V367 D368 L371 L372 L375 V394 Y398 | C263-L267 WeakPolarHBondContact O-CG 3.44Å; C263-L267 PolarHBondContact O-N 3.02Å; A264-L267 PolarHBondContact O-N 2.83Å; L267-N271 PolarHBondContact O-N 3.4Å; L267-N271 PolarHBondContact O-ND2 2.9Å; L267-V367 HydrophobicContact CD2-CG1 4.46Å; L267-D368 VanDerWaalsContact CD2-OD1 3.22Å; L267-D368 WeakPolarHBondContact CD2-OD1 3.38Å; L267-L371 HydrophobicContact CD2-CB 4.29Å; L267-L371 HydrophobicContact CD2-CD1 4.33Å; L267-L371 HydrophobicContact CG-CD1 4.29Å; L267-L372 HydrophobicContact CD1-CD2 4.38Å; L267-L375 HydrophobicContact CD1-CD1 3.88Å; L267-V394 HydrophobicContact CD1-CG1 4.39Å; L267-V394 HydrophobicContact CD1-CG2 4.09Å; L267-Y398 HydrophobicContact CB-CE1 4.29Å; L267-Y398 HydrophobicContact CD2-CE1 4.15Å |
| 268 | V | 92.3 | Very high | 89.2 | Confident | 21 Ų | 21 | 16 Ų | 16 | 13% | 0.127 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.5 | -49.6 | 173 | 174.4 | 0 | 0 | 0 | 0 | 110.3 | A264 G265 A270 N271 I272 S397 L400 | A264-V268 WeakPolarHBondContact O-CG2 3.33Å; A264-V268 PolarHBondContact O-N 2.95Å; A264-V268 VanDerWaalsContact O-N 3.1Å; G265-V268 PolarHBondContact O-N 2.97Å; V268-A270 PolarHBondContact O-N 3.25Å; V268-N271 PolarHBondContact O-N 2.63Å; V268-I272 HydrophobicContact CG1-CD1 3.8Å; V268-I272 HydrophobicContact CG1-CG1 4.3Å; V268-I272 WeakPolarHBondContact O-CG1 3.23Å; V268-I272 PolarHBondContact O-N 3.12Å; V268-S397 WeakPolarHBondContact CG2-O 3.44Å; V268-L400 HydrophobicContact CG1-CD2 4.24Å; V268-L400 HydrophobicContact CG2-CB 4.45Å; V268-L400 HydrophobicContact CG2-CD2 4.09Å |
| 269 | T | 92.3 | Very high | 88.5 | Confident | 10 Ų | 10 | 14.4 Ų | 14.4 | 6% | 0.061 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.4 | -43 | -174.9 | -52.8 | 0 | 0 | 0 | 0 | 111.5 | G265 A266 N271 I272 L334 N429 Y432 | G265-T269 WeakPolarHBondContact O-CB 3.46Å; G265-T269 PolarHBondContact O-N 3.24Å; G265-T269 PolarHBondContact O-OG1 2.92Å; A266-T269 PolarHBondContact O-N 3.45Å; T269-N271 PolarHBondContact O-N 3.32Å; T269-I272 PolarHBondContact O-N 2.74Å; T269-L334 HydrophobicContact CG2-CD2 4.37Å; T269-N429 PolarHBondContact O-OD1 2.93Å; T269-Y432 HydrophobicContact CG2-CG 4.29Å |
| 270 | A | 92.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.7 | -44.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A266 V268 I272 S273 L334 E337 V367 | A266-A270 WeakPolarHBondContact O-CB 3.29Å; A266-A270 PolarHBondContact O-N 2.99Å; V268-A270 PolarHBondContact O-N 3.25Å; A270-I272 PolarHBondContact O-N 3.2Å; A270-S273 VanDerWaalsContact O-CB 3.3Å; A270-S273 WeakPolarHBondContact O-CB 3.31Å; A270-S273 PolarHBondContact O-N 2.96Å; A270-S273 PolarHBondContact O-OG 2.91Å; A270-L334 HydrophobicContact CB-CD2 3.8Å; A270-E337 WeakPolarHBondContact CA-OE2 3.34Å; A270-V367 HydrophobicContact CB-CB 4.27Å; A270-V367 HydrophobicContact CB-CG1 3.99Å; A270-V367 HydrophobicContact CB-CG2 4.3Å |
| 271 | N | 88.9 | Confident | 87.8 | Confident | 12 Ų | 12 | 12.2 Ų | 12.2 | 6% | 0.064 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -76.3 | -21.9 | -177.7 | -79.1 | -91.6 | 0 | 0 | 0 | 113.8 | L267 V268 T269 S273 L274 A275 Y398 A401 Y402 | L267-N271 PolarHBondContact O-N 3.4Å; L267-N271 PolarHBondContact O-ND2 2.9Å; V268-N271 PolarHBondContact O-N 2.63Å; T269-N271 PolarHBondContact O-N 3.32Å; N271-S273 PolarHBondContact O-N 3.01Å; N271-L274 PolarHBondContact O-N 3.21Å; N271-A275 VanDerWaalsContact O-CB 3.3Å; N271-A275 WeakPolarHBondContact O-CB 3.39Å; N271-A275 PolarHBondContact O-N 3.25Å; N271-Y398 HydrophobicContact CB-CD1 4.33Å; N271-Y398 WeakPolarHBondContact ND2-CD1 3.24Å; N271-Y398 WeakPolarHBondContact ND2-CE1 3.12Å; N271-A401 HydrophobicContact CB-CB 3.75Å; N271-Y402 HydrophobicContact CB-CE2 4.4Å |
| 272 | I | 88.1 | Confident | 87.2 | Confident | 30 Ų | 30 | 12 Ų | 12 | 15% | 0.154 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -57.1 | -38.1 | 171.1 | -83.5 | 170.3 | 0 | 0 | 0 | 110.6 | V268 T269 A270 L274 A275 F276 A401 | V268-I272 HydrophobicContact CG1-CD1 3.8Å; V268-I272 HydrophobicContact CG1-CG1 4.3Å; V268-I272 WeakPolarHBondContact O-CG1 3.23Å; V268-I272 PolarHBondContact O-N 3.12Å; T269-I272 PolarHBondContact O-N 2.74Å; A270-I272 PolarHBondContact O-N 3.2Å; I272-L274 VanDerWaalsContact C-N 3.33Å; I272-L274 PolarHBondContact O-N 2.88Å; I272-A275 PolarHBondContact O-N 2.97Å; I272-F276 HydrophobicContact CB-CD2 4.48Å; I272-F276 HydrophobicContact CB-CE2 4.47Å; I272-F276 HydrophobicContact CG1-CE2 4.36Å; I272-F276 HydrophobicContact CG2-CD2 3.78Å; I272-F276 HydrophobicContact CG2-CE2 3.74Å; I272-F276 HydrophobicContact CG2-CG 4.38Å; I272-F276 HydrophobicContact CG2-CZ 4.39Å; I272-F276 WeakPolarHBondContact O-CB 3.34Å; I272-F276 WeakPolarHBondContact O-CD2 3.36Å; I272-F276 PolarHBondContact O-N 2.61Å; I272-A401 HydrophobicContact CG1-CB 3.92Å |
| 273 | S | 89.1 | Confident | 86.5 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -53 | -53 | 177.9 | -50.5 | 0 | 0 | 0 | 0 | 111 | A270 N271 L277 E337 N429 | A270-S273 VanDerWaalsContact O-CB 3.3Å; A270-S273 WeakPolarHBondContact O-CB 3.31Å; A270-S273 PolarHBondContact O-N 2.96Å; A270-S273 PolarHBondContact O-OG 2.91Å; N271-S273 PolarHBondContact O-N 3.01Å; S273-L277 WeakPolarHBondContact O-CB 3.45Å; S273-L277 PolarHBondContact O-N 3.21Å; S273-E337 PolarHBondContact OG-OE2 3.25Å; S273-N429 PolarHBondContact OG-ND2 3.04Å |
| 274 | L | 85.8 | Confident | 86.1 | Confident | 15 Ų | 15 | 16 Ų | 16 | 8% | 0.079 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -73.1 | -43.6 | -178.1 | -168.7 | 61.4 | 0 | 0 | 0 | 111.8 | N271 I272 F276 L277 E278 W301 L360 I364 Y402 | N271-L274 PolarHBondContact O-N 3.21Å; I272-L274 VanDerWaalsContact C-N 3.33Å; I272-L274 PolarHBondContact O-N 2.88Å; L274-F276 PolarHBondContact O-N 2.81Å; L274-L277 PolarHBondContact O-N 3.09Å; L274-L277 VanDerWaalsContact O-N 3.13Å; L274-E278 HydrophobicContact CD1-CG 3.98Å; L274-E278 HydrophobicContact CG-CG 4.05Å; L274-E278 WeakPolarHBondContact CG-OE1 3.17Å; L274-E278 WeakPolarHBondContact O-CB 3.27Å; L274-E278 WeakPolarHBondContact O-CG 3.24Å; L274-E278 PolarHBondContact O-N 2.71Å; L274-W301 HydrophobicContact CD1-CH2 3.66Å; L274-W301 HydrophobicContact CD1-CZ3 3.5Å; L274-W301 VanDerWaalsContact CD1-CZ3 3.5Å; L274-L360 HydrophobicContact CD1-CD2 4.07Å; L274-I364 HydrophobicContact CB-CD1 3.97Å; L274-I364 HydrophobicContact CD2-CD1 4.25Å; L274-Y402 WeakPolarHBondContact CD2-OH 3.32Å |
| 275 | A | 84.1 | Confident | 85.7 | Confident | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.008 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.9 | -28.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N271 I272 P279 Y402 | N271-A275 VanDerWaalsContact O-CB 3.3Å; N271-A275 WeakPolarHBondContact O-CB 3.39Å; N271-A275 PolarHBondContact O-N 3.25Å; I272-A275 PolarHBondContact O-N 2.97Å; A275-P279 VanDerWaalsContact O-CD 3.28Å; A275-P279 WeakPolarHBondContact O-CD 3.43Å; A275-Y402 HydrophobicContact CB-CD1 3.65Å; A275-Y402 HydrophobicContact CB-CE1 3.85Å; A275-Y402 HydrophobicContact CB-CG 4.15Å |
| 276 | F | 86.4 | Confident | 85.1 | Confident | 14 Ų | 14 | 19 Ų | 19 | 6% | 0.061 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -84 | -37.8 | 175 | -82.6 | -129.9 | 0 | 0 | 0 | 112 | I272 L274 T280 V408 A409 I412 L421 I425 | I272-F276 HydrophobicContact CB-CD2 4.48Å; I272-F276 HydrophobicContact CB-CE2 4.47Å; I272-F276 HydrophobicContact CG1-CE2 4.36Å; I272-F276 HydrophobicContact CG2-CD2 3.78Å; I272-F276 HydrophobicContact CG2-CE2 3.74Å; I272-F276 HydrophobicContact CG2-CG 4.38Å; I272-F276 HydrophobicContact CG2-CZ 4.39Å; I272-F276 WeakPolarHBondContact O-CB 3.34Å; I272-F276 WeakPolarHBondContact O-CD2 3.36Å; I272-F276 PolarHBondContact O-N 2.61Å; L274-F276 PolarHBondContact O-N 2.81Å; F276-T280 WeakPolarHBondContact O-CG2 3.25Å; F276-T280 PolarHBondContact O-OG1 3.26Å; F276-V408 HydrophobicContact CE1-CB 4.41Å; F276-V408 HydrophobicContact CE1-CG1 4.04Å; F276-V408 HydrophobicContact CZ-CB 4.08Å; F276-V408 HydrophobicContact CZ-CG1 4.02Å; F276-A409 HydrophobicContact CB-CB 4.1Å; F276-A409 HydrophobicContact CD1-CB 3.87Å; F276-A409 HydrophobicContact CE1-CB 4.44Å; F276-A409 HydrophobicContact CG-CB 3.98Å; F276-I412 HydrophobicContact CE1-CD1 4.46Å; F276-L421 HydrophobicContact CB-CD2 4.46Å; F276-L421 HydrophobicContact CD1-CD1 3.58Å; F276-L421 HydrophobicContact CD1-CG 4.23Å; F276-L421 HydrophobicContact CE1-CD1 4.18Å; F276-I425 HydrophobicContact CB-CD1 3.6Å; F276-I425 HydrophobicContact CB-CG1 4.26Å; F276-I425 HydrophobicContact CD1-CD1 4.35Å; F276-I425 HydrophobicContact CD1-CG1 4.29Å; F276-I425 HydrophobicContact CG-CD1 4.3Å; F276-I425 HydrophobicContact CG-CG1 4.45Å |
| 277 | L | 84.3 | Confident | 84.4 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -74.5 | -41.6 | -175.5 | -141.2 | 95.1 | 0 | 0 | 0 | 112.2 | S273 L274 T280 I281 W301 L357 L360 N422 I425 | S273-L277 WeakPolarHBondContact O-CB 3.45Å; S273-L277 PolarHBondContact O-N 3.21Å; L274-L277 PolarHBondContact O-N 3.09Å; L274-L277 VanDerWaalsContact O-N 3.13Å; L277-T280 PolarHBondContact O-N 3.36Å; L277-T280 VanDerWaalsContact O-N 3.14Å; L277-T280 PolarHBondContact O-OG1 2.89Å; L277-I281 HydrophobicContact CD2-CD1 3.76Å; L277-I281 HydrophobicContact CG-CD1 4.39Å; L277-I281 VanDerWaalsContact O-CB 3.31Å; L277-I281 WeakPolarHBondContact O-CB 3.45Å; L277-I281 WeakPolarHBondContact O-CG2 3.14Å; L277-I281 PolarHBondContact O-N 3.06Å; L277-W301 HydrophobicContact CD2-CH2 4.31Å; L277-L357 HydrophobicContact CD2-CD2 3.43Å; L277-L357 VanDerWaalsContact CD2-CD2 3.43Å; L277-L360 HydrophobicContact CD2-CD1 4.39Å; L277-N422 WeakPolarHBondContact CD1-OD1 3.34Å; L277-I425 HydrophobicContact CD1-CD1 4.47Å |
| 278 | E | 76.8 | Confident | 84 | Confident | 18 Ų | 18 | 28.7 Ų | 28.7 | 8% | 0.084 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -51 | -53.9 | -176.7 | -82.4 | 179.7 | 173.9 | 0 | 0 | 114.1 | M49 L274 T280 W301 | M49-E278 HydrophobicContact CE-CG 4.13Å; L274-E278 HydrophobicContact CD1-CG 3.98Å; L274-E278 HydrophobicContact CG-CG 4.05Å; L274-E278 WeakPolarHBondContact CG-OE1 3.17Å; L274-E278 WeakPolarHBondContact O-CB 3.27Å; L274-E278 WeakPolarHBondContact O-CG 3.24Å; L274-E278 PolarHBondContact O-N 2.71Å; E278-T280 VanDerWaalsContact C-N 3.29Å; E278-T280 PolarHBondContact O-N 3.34Å; E278-W301 HydrophobicContact CG-CH2 4.06Å; E278-W301 HydrophobicContact CG-CZ2 4.13Å |
| 279 | P | 73 | Confident | 83.6 | Confident | 48 Ų | 48 | 28 Ų | 28 | 31% | 0.312 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -74.7 | -18.5 | -178.5 | 27.1 | -33.3 | 0 | 0 | 0 | 113.5 | A275 P406 | A275-P279 VanDerWaalsContact O-CD 3.28Å; A275-P279 WeakPolarHBondContact O-CD 3.43Å; P279-P406 HydrophobicContact CG-CB 4.36Å |
| 280 | T | 81.1 | Confident | 82.7 | Confident | 9 Ų | 9 | 33.5 Ų | 33.5 | 6% | 0.055 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -102.5 | -29.4 | -170.6 | 58.2 | 0 | 0 | 0 | 0 | 113.2 | F276 L277 E278 A282 K283 W284 A409 V413 L421 | F276-T280 WeakPolarHBondContact O-CG2 3.25Å; F276-T280 PolarHBondContact O-OG1 3.26Å; L277-T280 PolarHBondContact O-N 3.36Å; L277-T280 VanDerWaalsContact O-N 3.14Å; L277-T280 PolarHBondContact O-OG1 2.89Å; E278-T280 VanDerWaalsContact C-N 3.29Å; E278-T280 PolarHBondContact O-N 3.34Å; T280-A282 PolarHBondContact O-N 2.75Å; T280-K283 PolarHBondContact O-N 3.48Å; T280-W284 WeakPolarHBondContact O-CB 3.48Å; T280-W284 PolarHBondContact O-N 2.65Å; T280-A409 HydrophobicContact CG2-CB 3.88Å; T280-V413 HydrophobicContact CG2-CG2 3.69Å; T280-L421 HydrophobicContact CG2-CD2 3.96Å |
| 281 | I | 83.3 | Confident | 81.9 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.3 | -38 | -174.9 | -160.6 | 166.2 | 0 | 0 | 0 | 112.5 | L277 K283 W284 M285 W301 V344 V353 L357 | L277-I281 HydrophobicContact CD2-CD1 3.76Å; L277-I281 HydrophobicContact CG-CD1 4.39Å; L277-I281 VanDerWaalsContact O-CB 3.31Å; L277-I281 WeakPolarHBondContact O-CB 3.45Å; L277-I281 WeakPolarHBondContact O-CG2 3.14Å; L277-I281 PolarHBondContact O-N 3.06Å; I281-K283 PolarHBondContact O-N 2.87Å; I281-W284 HydrophobicContact CG1-CE3 4.25Å; I281-W284 PolarHBondContact O-N 3.5Å; I281-M285 HydrophobicContact CG1-CG 4.23Å; I281-M285 HydrophobicContact CG1-SD 4.25Å; I281-M285 WeakPolarHBondContact O-CB 3.42Å; I281-M285 VanDerWaalsContact O-CG 3.24Å; I281-M285 WeakPolarHBondContact O-CG 3.34Å; I281-M285 PolarHBondContact O-N 3Å; I281-W301 HydrophobicContact CG2-CZ2 3.71Å; I281-V344 HydrophobicContact CD1-CG1 4.28Å; I281-V353 HydrophobicContact CD1-CG1 3.78Å; I281-L357 HydrophobicContact CD1-CD1 4.12Å; I281-L357 HydrophobicContact CD1-CD2 4.05Å; I281-L357 HydrophobicContact CD1-CG 4.42Å |
| 282 | A | 78.8 | Confident | 81.3 | Confident | 33 Ų | 33 | 40 Ų | 40 | 27% | 0.273 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.6 | -43.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T280 T286 I297 | T280-A282 PolarHBondContact O-N 2.75Å; A282-T286 PolarHBondContact O-N 3.39Å; A282-T286 PolarHBondContact O-OG1 3.46Å; A282-I297 HydrophobicContact CB-CG2 3.65Å |
| 283 | K | 77.3 | Confident | 80.8 | Confident | 80 Ų | 80 | 41.4 Ų | 41.4 | 35% | 0.348 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.7 | -50.2 | 175.5 | -174.2 | 175.9 | -177.2 | 177.3 | 0 | 110.6 | D98 T280 I281 M285 T286 E287 | D98-K283 IonicContact OD1-NZ 3.88Å; D98-K283 IonicContact OD2-NZ 2.81Å; D98-K283 PolarHBondContact OD2-NZ 3.31Å; T280-K283 PolarHBondContact O-N 3.48Å; I281-K283 PolarHBondContact O-N 2.87Å; K283-M285 VanDerWaalsContact C-N 3.34Å; K283-M285 PolarHBondContact O-N 3.11Å; K283-T286 PolarHBondContact O-N 2.7Å; K283-T286 VanDerWaalsContact O-N 3.11Å; K283-E287 WeakPolarHBondContact CE-OE1 3.2Å; K283-E287 WeakPolarHBondContact CG-OE1 3.42Å; K283-E287 WeakPolarHBondContact O-CG 3.47Å; K283-E287 PolarHBondContact O-N 3.05Å |
| 284 | W | 84.4 | Confident | 79.8 | Confident | 22 Ų | 22 | 48.9 Ų | 48.9 | 8% | 0.083 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.4 | -41.8 | 178.7 | 172.8 | 74.7 | 0 | 0 | 0 | 113.1 | T280 I281 T286 E287 T288 M289 V344 T347 V353 F418 | T280-W284 WeakPolarHBondContact O-CB 3.48Å; T280-W284 PolarHBondContact O-N 2.65Å; I281-W284 HydrophobicContact CG1-CE3 4.25Å; I281-W284 PolarHBondContact O-N 3.5Å; W284-T286 VanDerWaalsContact C-N 3.35Å; W284-E287 PolarHBondContact O-N 3.44Å; W284-T288 HydrophobicContact CZ2-CG2 4.26Å; W284-T288 PolarHBondContact NE1-OG1 3.43Å; W284-T288 VanDerWaalsContact NE1-OG1 3.12Å; W284-T288 VanDerWaalsContact O-CB 3.23Å; W284-T288 WeakPolarHBondContact O-CB 3.28Å; W284-T288 PolarHBondContact O-N 3.48Å; W284-T288 PolarHBondContact O-OG1 3.37Å; W284-M289 HydrophobicContact CH2-CE 3.52Å; W284-M289 HydrophobicContact CZ2-CE 4.42Å; W284-M289 HydrophobicContact CZ3-CE 3.65Å; W284-V344 WeakPolarHBondContact CH2-O 3.47Å; W284-V344 HydrophobicContact CZ3-CG1 4.33Å; W284-T347 WeakPolarHBondContact CH2-OG1 3.15Å; W284-V353 HydrophobicContact CH2-CG2 4.38Å; W284-V353 HydrophobicContact CZ3-CG2 3.94Å; W284-F418 HydrophobicContact CB-CD1 4.18Å; W284-F418 HydrophobicContact CB-CD2 3.77Å; W284-F418 HydrophobicContact CB-CE1 4.31Å; W284-F418 HydrophobicContact CB-CE2 3.92Å; W284-F418 HydrophobicContact CB-CG 3.91Å; W284-F418 HydrophobicContact CB-CZ 4.18Å; W284-F418 AromaticContact CD1-CD1 3.36Å; W284-F418 AromaticContact CD1-CG 3.49Å; W284-F418 VanDerWaalsContact CD1-CG 3.49Å; W284-F418 AromaticContact CD2-CD1 3.66Å; W284-F418 HydrophobicContact CD2-CD1 3.66Å; W284-F418 AromaticContact CD2-CE1 3.49Å; W284-F418 HydrophobicContact CD2-CE1 3.49Å; W284-F418 VanDerWaalsContact CD2-CE1 3.49Å; W284-F418 HydrophobicContact CD2-CG 4.3Å; W284-F418 AromaticContact CD2-CZ 4Å; W284-F418 HydrophobicContact CD2-CZ 4Å; W284-F418 AromaticContact CE2-CD1 3.72Å; W284-F418 AromaticContact CE2-CE1 3.8Å; W284-F418 AromaticContact CE3-CE1 3.89Å; W284-F418 HydrophobicContact CE3-CE1 3.89Å; W284-F418 HydrophobicContact CE3-CZ 4.13Å; W284-F418 HydrophobicContact CG-CB 4.19Å; W284-F418 AromaticContact CG-CD1 3.44Å; W284-F418 HydrophobicContact CG-CD1 3.44Å; W284-F418 VanDerWaalsContact CG-CD1 3.44Å; W284-F418 AromaticContact CG-CD2 3.95Å; W284-F418 HydrophobicContact CG-CD2 3.95Å; W284-F418 AromaticContact CG-CE1 3.66Å; W284-F418 HydrophobicContact CG-CE1 3.66Å; W284-F418 HydrophobicContact CG-CE2 4.15Å; W284-F418 AromaticContact CG-CG 3.59Å; W284-F418 HydrophobicContact CG-CG 3.59Å; W284-F418 HydrophobicContact CG-CZ 4.01Å; W284-F418 HydrophobicContact CZ2-CE1 4.43Å; W284-F418 AromaticContact NE1-CD1 3.51Å |
| 285 | M | 83.5 | Confident | 79 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 175.1 | -76.3 | -178.9 | 75.5 | 0 | 0 | 111.4 | I281 K283 E287 M289 V292 I297 V300 | I281-M285 HydrophobicContact CG1-CG 4.23Å; I281-M285 HydrophobicContact CG1-SD 4.25Å; I281-M285 WeakPolarHBondContact O-CB 3.42Å; I281-M285 VanDerWaalsContact O-CG 3.24Å; I281-M285 WeakPolarHBondContact O-CG 3.34Å; I281-M285 PolarHBondContact O-N 3Å; K283-M285 VanDerWaalsContact C-N 3.34Å; K283-M285 PolarHBondContact O-N 3.11Å; M285-E287 VanDerWaalsContact C-N 3.34Å; M285-M289 HydrophobicContact CE-SD 4.28Å; M285-M289 HydrophobicContact CG-SD 4.39Å; M285-M289 WeakPolarHBondContact O-CA 3.09Å; M285-M289 WeakPolarHBondContact O-CB 3.43Å; M285-M289 PolarHBondContact O-N 2.84Å; M285-V292 HydrophobicContact CB-CG1 4.5Å; M285-V292 HydrophobicContact CE-CG2 3.99Å; M285-I297 HydrophobicContact SD-CG2 4.44Å; M285-V300 HydrophobicContact CE-CG1 3.54Å; M285-V300 HydrophobicContact SD-CG1 4.13Å; M285-V300 HydrophobicContact SD-CG2 4.36Å |
| 286 | T | 79.1 | Confident | 78.8 | Confident | 86 Ų | 86 | 56.7 Ų | 56.7 | 53% | 0.528 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.2 | -37.8 | 178.7 | -52 | 0 | 0 | 0 | 0 | 111.7 | A282 K283 W284 I297 | A282-T286 PolarHBondContact O-N 3.39Å; A282-T286 PolarHBondContact O-OG1 3.46Å; K283-T286 PolarHBondContact O-N 2.7Å; K283-T286 VanDerWaalsContact O-N 3.11Å; W284-T286 VanDerWaalsContact C-N 3.35Å; T286-I297 WeakPolarHBondContact OG1-CD1 3.41Å |
| 287 | E | 80.5 | Confident | 78.3 | Confident | 131 Ų | 131 | 57 Ų | 57 | 61% | 0.612 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -75.9 | -36.6 | 179.5 | -71.3 | 172.4 | 177.7 | 0 | 0 | 112.7 | K283 W284 M285 | K283-E287 WeakPolarHBondContact CE-OE1 3.2Å; K283-E287 WeakPolarHBondContact CG-OE1 3.42Å; K283-E287 WeakPolarHBondContact O-CG 3.47Å; K283-E287 PolarHBondContact O-N 3.05Å; W284-E287 PolarHBondContact O-N 3.44Å; M285-E287 VanDerWaalsContact C-N 3.34Å |
| 288 | T | 83.1 | Confident | 77.8 | Confident | 71 Ų | 71 | 57.7 Ų | 57.7 | 44% | 0.436 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -95.8 | -24 | -172.6 | -46.5 | 0 | 0 | 0 | 0 | 112.8 | W284 P290 | W284-T288 HydrophobicContact CZ2-CG2 4.26Å; W284-T288 PolarHBondContact NE1-OG1 3.43Å; W284-T288 VanDerWaalsContact NE1-OG1 3.12Å; W284-T288 VanDerWaalsContact O-CB 3.23Å; W284-T288 WeakPolarHBondContact O-CB 3.28Å; W284-T288 PolarHBondContact O-N 3.48Å; W284-T288 PolarHBondContact O-OG1 3.37Å; T288-P290 WeakPolarHBondContact O-CD 3.36Å |
| 289 | M | 84.7 | Confident | 78 | Confident | 7 Ų | 7 | 59.4 Ų | 59.4 | 3% | 0.034 | 32% | 0.321 | C | S | . | . | trans | -120.8 | 89.8 | -173.3 | -51.4 | -177.8 | -175.4 | 0 | 0 | 111.1 | W284 M285 T291 V292 Y350 V353 | W284-M289 HydrophobicContact CH2-CE 3.52Å; W284-M289 HydrophobicContact CZ2-CE 4.42Å; W284-M289 HydrophobicContact CZ3-CE 3.65Å; M285-M289 HydrophobicContact CE-SD 4.28Å; M285-M289 HydrophobicContact CG-SD 4.39Å; M285-M289 WeakPolarHBondContact O-CA 3.09Å; M285-M289 WeakPolarHBondContact O-CB 3.43Å; M285-M289 PolarHBondContact O-N 2.84Å; M289-T291 PolarHBondContact O-N 3.13Å; M289-V292 HydrophobicContact CB-CB 4.21Å; M289-V292 HydrophobicContact CB-CG1 4.26Å; M289-V292 WeakPolarHBondContact O-CG1 3.15Å; M289-V292 PolarHBondContact O-N 3.05Å; M289-V292 VanDerWaalsContact O-N 3.14Å; M289-Y350 PolarHBondContact SD-N 2.88Å; M289-V353 HydrophobicContact CE-CG2 3.56Å; M289-V353 HydrophobicContact SD-CG2 4.39Å | ||
| 290 | P | 73 | Confident | 78.5 | Confident | 126 Ų | 126 | 57.1 Ų | 57.1 | 82% | 0.818 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -12.3 | -170.4 | 22.6 | -32.4 | 0 | 0 | 0 | 115.4 | T288 | T288-P290 WeakPolarHBondContact O-CD 3.36Š|
| 291 | T | 75.4 | Confident | 78.5 | Confident | 124 Ų | 124 | 57.3 Ų | 57.3 | 76% | 0.761 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -0.9 | 179.7 | 55.9 | 0 | 0 | 0 | 0 | 114 | M289 | M289-T291 PolarHBondContact O-N 3.13Š|
| 292 | V | 75.5 | Confident | 78.4 | Confident | 23 Ų | 23 | 60.6 Ų | 60.6 | 14% | 0.139 | 32% | 0.324 | C | S | . | . | trans | -79.3 | 129.6 | -175.4 | 81.2 | 0 | 0 | 0 | 0 | 111.2 | M285 M289 Q296 I297 | M285-V292 HydrophobicContact CB-CG1 4.5Å; M285-V292 HydrophobicContact CE-CG2 3.99Å; M289-V292 HydrophobicContact CB-CB 4.21Å; M289-V292 HydrophobicContact CB-CG1 4.26Å; M289-V292 WeakPolarHBondContact O-CG1 3.15Å; M289-V292 PolarHBondContact O-N 3.05Å; M289-V292 VanDerWaalsContact O-N 3.14Å; V292-Q296 HydrophobicContact CG2-CB 3.8Å; V292-I297 HydrophobicContact CG1-CD1 4.17Å; V292-I297 HydrophobicContact CG1-CG1 4.07Å; V292-I297 HydrophobicContact CG2-CG1 3.89Å | ||
| 293 | T | 76.8 | Confident | 78.8 | Confident | 60 Ų | 60 | 61.5 Ų | 61.5 | 37% | 0.368 | 33% | 0.327 | S | S | . | . | trans | -95.3 | 156.9 | 175.7 | 54.7 | 0 | 0 | 0 | 0 | 110.8 | W295 Q296 I297 | T293-W295 VanDerWaalsContact C-N 3.28Å; T293-W295 PolarHBondContact O-N 2.62Å; T293-W295 VanDerWaalsContact OG1-CD1 3.24Å; T293-W295 PolarHBondContact OG1-NE1 2.94Å; T293-Q296 WeakPolarHBondContact O-CA 3.47Å; T293-Q296 WeakPolarHBondContact O-CB 3.48Å; T293-Q296 PolarHBondContact O-N 3.27Å; T293-Q296 WeakPolarHBondContact OG1-CG 3.3Å; T293-Q296 PolarHBondContact OG1-OE1 3.42Å; T293-I297 PolarHBondContact O-N 2.99Å; T293-I297 VanDerWaalsContact O-N 3.1Å | ||
| 294 | E | 68.6 | Low | 79.3 | Confident | 157 Ų | 157 | 57.7 Ų | 57.7 | 73% | 0.734 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -57.8 | -37.4 | -175.3 | -65.1 | -169.4 | 169.7 | 0 | 0 | 113.6 | Q296 I297 G298 | E294-Q296 VanDerWaalsContact C-N 3.34Å; E294-Q296 PolarHBondContact O-N 3.12Å; E294-I297 WeakPolarHBondContact O-CB 3.31Å; E294-I297 PolarHBondContact O-N 2.86Å; E294-G298 PolarHBondContact O-N 3.06Å |
| 295 | W | 69.8 | Low | 79.3 | Confident | 148 Ų | 148 | 58.8 Ų | 58.8 | 56% | 0.561 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -70.5 | -30.3 | 176 | 76.6 | -90.6 | 0 | 0 | 0 | 112.4 | T293 I297 G298 L299 | T293-W295 VanDerWaalsContact C-N 3.28Å; T293-W295 PolarHBondContact O-N 2.62Å; T293-W295 VanDerWaalsContact OG1-CD1 3.24Å; T293-W295 PolarHBondContact OG1-NE1 2.94Å; W295-I297 VanDerWaalsContact C-N 3.35Å; W295-G298 PolarHBondContact O-N 3.05Å; W295-L299 HydrophobicContact CE3-CB 4.35Å; W295-L299 HydrophobicContact CE3-CD2 4.42Å; W295-L299 HydrophobicContact CH2-CD2 4.35Å; W295-L299 HydrophobicContact CZ3-CB 4.38Å; W295-L299 HydrophobicContact CZ3-CD1 4.23Å; W295-L299 HydrophobicContact CZ3-CD2 3.65Å; W295-L299 HydrophobicContact CZ3-CG 4.3Å; W295-L299 WeakPolarHBondContact O-CB 3.35Å; W295-L299 PolarHBondContact O-N 3.32Å |
| 296 | Q | 78.9 | Confident | 79.5 | Confident | 32 Ų | 32 | 64 Ų | 64 | 15% | 0.15 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -69 | -34.4 | 174.5 | -73.5 | 167.7 | -27.5 | 0 | 0 | 111.5 | V292 T293 E294 G298 L299 V300 | V292-Q296 HydrophobicContact CG2-CB 3.8Å; T293-Q296 WeakPolarHBondContact O-CA 3.47Å; T293-Q296 WeakPolarHBondContact O-CB 3.48Å; T293-Q296 PolarHBondContact O-N 3.27Å; T293-Q296 WeakPolarHBondContact OG1-CG 3.3Å; T293-Q296 PolarHBondContact OG1-OE1 3.42Å; E294-Q296 VanDerWaalsContact C-N 3.34Å; E294-Q296 PolarHBondContact O-N 3.12Å; Q296-G298 VanDerWaalsContact C-N 3.31Å; Q296-L299 PolarHBondContact O-N 3.44Å; Q296-V300 VanDerWaalsContact O-CG1 3.28Å; Q296-V300 WeakPolarHBondContact O-CG1 3.4Å; Q296-V300 PolarHBondContact O-N 3.35Å |
| 297 | I | 76.8 | Confident | 80.1 | Confident | 22 Ų | 22 | 61.2 Ų | 61.2 | 11% | 0.113 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 171.7 | -61 | 173.5 | 0 | 0 | 0 | 110.2 | A282 M285 T286 V292 T293 E294 W295 V300 | A282-I297 HydrophobicContact CB-CG2 3.65Å; M285-I297 HydrophobicContact SD-CG2 4.44Å; T286-I297 WeakPolarHBondContact OG1-CD1 3.41Å; V292-I297 HydrophobicContact CG1-CD1 4.17Å; V292-I297 HydrophobicContact CG1-CG1 4.07Å; V292-I297 HydrophobicContact CG2-CG1 3.89Å; T293-I297 PolarHBondContact O-N 2.99Å; T293-I297 VanDerWaalsContact O-N 3.1Å; E294-I297 WeakPolarHBondContact O-CB 3.31Å; E294-I297 PolarHBondContact O-N 2.86Å; W295-I297 VanDerWaalsContact C-N 3.35Å; I297-V300 WeakPolarHBondContact O-CG2 3.42Å |
| 298 | G | 73.4 | Confident | 80.5 | Confident | 13 Ų | 13 | 55.4 Ų | 55.4 | 13% | 0.134 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.6 | -36.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E294 W295 Q296 V300 W301 | E294-G298 PolarHBondContact O-N 3.06Å; W295-G298 PolarHBondContact O-N 3.05Å; Q296-G298 VanDerWaalsContact C-N 3.31Å; G298-V300 VanDerWaalsContact C-N 3.28Å; G298-V300 PolarHBondContact O-N 3.05Å; G298-W301 PolarHBondContact O-N 3.21Å |
| 299 | L | 81.1 | Confident | 80.6 | Confident | 54 Ų | 54 | 55.9 Ų | 55.9 | 28% | 0.283 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.8 | -26.6 | -176.6 | -164.4 | 77.8 | 0 | 0 | 0 | 113 | W295 Q296 W301 L302 P303 | W295-L299 HydrophobicContact CE3-CB 4.35Å; W295-L299 HydrophobicContact CE3-CD2 4.42Å; W295-L299 HydrophobicContact CH2-CD2 4.35Å; W295-L299 HydrophobicContact CZ3-CB 4.38Å; W295-L299 HydrophobicContact CZ3-CD1 4.23Å; W295-L299 HydrophobicContact CZ3-CD2 3.65Å; W295-L299 HydrophobicContact CZ3-CG 4.3Å; W295-L299 WeakPolarHBondContact O-CB 3.35Å; W295-L299 PolarHBondContact O-N 3.32Å; Q296-L299 PolarHBondContact O-N 3.44Å; L299-W301 PolarHBondContact O-N 2.91Å; L299-W301 VanDerWaalsContact O-N 3.1Å; L299-L302 HydrophobicContact CD1-CD2 4.49Å; L299-L302 PolarHBondContact O-N 3.26Å; L299-L302 VanDerWaalsContact O-N 3.09Å; L299-P303 WeakPolarHBondContact O-CD 3.45Å |
| 300 | V | 84 | Confident | 80.9 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -24.3 | -177.8 | -49 | 0 | 0 | 0 | 0 | 113.3 | M285 Q296 I297 G298 P304 Y350 I354 L357 | M285-V300 HydrophobicContact CE-CG1 3.54Å; M285-V300 HydrophobicContact SD-CG1 4.13Å; M285-V300 HydrophobicContact SD-CG2 4.36Å; Q296-V300 VanDerWaalsContact O-CG1 3.28Å; Q296-V300 WeakPolarHBondContact O-CG1 3.4Å; Q296-V300 PolarHBondContact O-N 3.35Å; I297-V300 WeakPolarHBondContact O-CG2 3.42Å; G298-V300 VanDerWaalsContact C-N 3.28Å; G298-V300 PolarHBondContact O-N 3.05Å; V300-P304 WeakPolarHBondContact O-CD 3.48Å; V300-P304 VanDerWaalsContact O-CG 3.27Å; V300-P304 WeakPolarHBondContact O-CG 3.37Å; V300-Y350 HydrophobicContact CG1-CD2 4.43Å; V300-I354 HydrophobicContact CB-CG1 4.21Å; V300-L357 HydrophobicContact CB-CD1 4.18Å; V300-L357 HydrophobicContact CG2-CD1 3.7Å |
| 301 | W | 79.9 | Confident | 81.7 | Confident | 13 Ų | 13 | 54.1 Ų | 54.1 | 5% | 0.049 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -20 | -180 | -64.8 | 105.5 | 0 | 0 | 0 | 113.5 | L196 L274 L277 E278 I281 G298 L299 P304 L357 | L196-W301 HydrophobicContact CD2-CB 4.13Å; L196-W301 HydrophobicContact CD2-CE3 3.95Å; L196-W301 WeakPolarHBondContact CD2-O 3.48Å; L274-W301 HydrophobicContact CD1-CH2 3.66Å; L274-W301 HydrophobicContact CD1-CZ3 3.5Å; L274-W301 VanDerWaalsContact CD1-CZ3 3.5Å; L277-W301 HydrophobicContact CD2-CH2 4.31Å; E278-W301 HydrophobicContact CG-CH2 4.06Å; E278-W301 HydrophobicContact CG-CZ2 4.13Å; I281-W301 HydrophobicContact CG2-CZ2 3.71Å; G298-W301 PolarHBondContact O-N 3.21Å; L299-W301 PolarHBondContact O-N 2.91Å; L299-W301 VanDerWaalsContact O-N 3.1Å; W301-P304 WeakPolarHBondContact O-CD 3.48Å; W301-L357 HydrophobicContact CD2-CD1 4.43Å; W301-L357 HydrophobicContact CE3-CD1 4.28Å; W301-L357 HydrophobicContact CH2-CD2 3.94Å; W301-L357 HydrophobicContact CZ3-CD1 4.34Å; W301-L357 HydrophobicContact CZ3-CD2 3.87Å |
| 302 | L | 82.3 | Confident | 82.2 | Confident | 71 Ų | 71 | 48.7 Ų | 48.7 | 37% | 0.372 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -71.7 | -49.6 | -176.3 | -168.6 | 89.3 | 0 | 0 | 0 | 112.7 | V197 P200 L299 F305 | V197-L302 HydrophobicContact CG2-CD1 3.94Å; P200-L302 HydrophobicContact CG-CB 4.49Å; P200-L302 HydrophobicContact CG-CD1 4.34Å; L299-L302 HydrophobicContact CD1-CD2 4.49Å; L299-L302 PolarHBondContact O-N 3.26Å; L299-L302 VanDerWaalsContact O-N 3.09Å; L302-F305 WeakPolarHBondContact O-CB 3.05Å; L302-F305 PolarHBondContact O-N 3.36Å |
| 303 | P | 87.1 | Confident | 82.8 | Confident | 52 Ų | 52 | 54 Ų | 54 | 34% | 0.338 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -37.3 | -180 | -21.3 | 33.1 | 0 | 0 | 0 | 115.2 | L299 F305 I306 P307 I354 | L299-P303 WeakPolarHBondContact O-CD 3.45Å; P303-F305 PolarHBondContact O-N 3.12Å; P303-I306 PolarHBondContact O-N 2.91Å; P303-I306 VanDerWaalsContact O-N 3.15Å; P303-P307 WeakPolarHBondContact O-CD 3.32Å; P303-I354 HydrophobicContact CB-CG2 3.73Å; P303-I354 HydrophobicContact CG-CD1 4.2Å; P303-I354 HydrophobicContact CG-CG2 4.12Å |
| 304 | P | 87.2 | Confident | 83.5 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -17.3 | 173.2 | -31.2 | 38 | 0 | 0 | 0 | 115.9 | V300 W301 I306 P307 H308 L357 C361 | V300-P304 WeakPolarHBondContact O-CD 3.48Å; V300-P304 VanDerWaalsContact O-CG 3.27Å; V300-P304 WeakPolarHBondContact O-CG 3.37Å; W301-P304 WeakPolarHBondContact O-CD 3.48Å; P304-I306 VanDerWaalsContact C-N 3.31Å; P304-I306 PolarHBondContact O-N 3.24Å; P304-P307 WeakPolarHBondContact O-CD 3.27Å; P304-H308 PolarHBondContact O-N 2.96Å; P304-L357 HydrophobicContact CB-CB 4.43Å; P304-L357 HydrophobicContact CG-CB 3.71Å; P304-C361 HydrophobicContact CB-CB 4.19Å |
| 305 | F | 83.6 | Confident | 84.4 | Confident | 44 Ų | 44 | 44.8 Ų | 44.8 | 19% | 0.193 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59 | -38.7 | 173.5 | 173 | -110.9 | 0 | 0 | 0 | 113.3 | F193 L196 L302 P303 H308 L309 | F193-F305 HydrophobicContact CB-CD2 4.29Å; F193-F305 HydrophobicContact CB-CE2 3.58Å; F193-F305 HydrophobicContact CB-CZ 4.05Å; F193-F305 HydrophobicContact CD2-CD1 4.28Å; F193-F305 HydrophobicContact CD2-CD2 4.13Å; F193-F305 AromaticContact CD2-CE1 3.79Å; F193-F305 HydrophobicContact CD2-CE1 3.79Å; F193-F305 AromaticContact CD2-CE2 3.64Å; F193-F305 HydrophobicContact CD2-CE2 3.64Å; F193-F305 HydrophobicContact CD2-CG 4.43Å; F193-F305 AromaticContact CD2-CZ 3.45Å; F193-F305 HydrophobicContact CD2-CZ 3.45Å; F193-F305 VanDerWaalsContact CD2-CZ 3.45Å; F193-F305 HydrophobicContact CE2-CE1 4.27Å; F193-F305 HydrophobicContact CE2-CZ 4.3Å; F193-F305 HydrophobicContact CG-CE2 4.08Å; F193-F305 HydrophobicContact CG-CZ 4.14Å; L196-F305 HydrophobicContact CB-CB 4.39Å; L196-F305 VanDerWaalsContact CD1-CA 3.44Å; L196-F305 HydrophobicContact CD1-CB 3.68Å; L196-F305 HydrophobicContact CD1-CD2 4.15Å; L196-F305 HydrophobicContact CD1-CG 4.43Å; L302-F305 WeakPolarHBondContact O-CB 3.05Å; L302-F305 PolarHBondContact O-N 3.36Å; P303-F305 PolarHBondContact O-N 3.12Å; F305-H308 WeakPolarHBondContact O-CB 3.45Å; F305-H308 PolarHBondContact O-N 3.49Å; F305-L309 HydrophobicContact CE2-CD1 4.45Å; F305-L309 HydrophobicContact CZ-CD1 4.14Å; F305-L309 PolarHBondContact O-N 3.4Å |
| 306 | I | 88.7 | Confident | 85 | Confident | 110 Ų | 110 | 39.7 Ų | 39.7 | 56% | 0.564 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -65.9 | -51.4 | -179.2 | -63.3 | 174.6 | 0 | 0 | 0 | 110.9 | P303 P304 H308 L309 L310 | P303-I306 PolarHBondContact O-N 2.91Å; P303-I306 VanDerWaalsContact O-N 3.15Å; P304-I306 VanDerWaalsContact C-N 3.31Å; P304-I306 PolarHBondContact O-N 3.24Å; I306-H308 VanDerWaalsContact C-N 3.29Å; I306-H308 PolarHBondContact O-N 3.47Å; I306-L309 PolarHBondContact O-N 2.99Å; I306-L309 VanDerWaalsContact O-N 3.17Å; I306-L310 HydrophobicContact CG2-CD1 4.21Å; I306-L310 WeakPolarHBondContact O-CG 3.39Å; I306-L310 PolarHBondContact O-N 3.47Å |
| 307 | P | 91.3 | Very high | 85.4 | Confident | 28 Ų | 28 | 45.9 Ų | 45.9 | 18% | 0.182 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -51 | -44.3 | 168.9 | -27.6 | 31.5 | 0 | 0 | 0 | 113.4 | P303 P304 L309 L310 G311 A358 Y362 | P303-P307 WeakPolarHBondContact O-CD 3.32Å; P304-P307 WeakPolarHBondContact O-CD 3.27Å; P307-L309 PolarHBondContact O-N 3.35Å; P307-L310 CarbonylContact O-C 3.56Å; P307-L310 WeakPolarHBondContact O-CB 3.48Å; P307-L310 PolarHBondContact O-N 2.94Å; P307-G311 PolarHBondContact O-N 3.24Å; P307-A358 HydrophobicContact CB-CB 4.11Å; P307-A358 VanDerWaalsContact CB-O 3.3Å; P307-A358 WeakPolarHBondContact CB-O 3.12Å; P307-A358 HydrophobicContact CG-CB 3.52Å; P307-Y362 VanDerWaalsContact O-CD2 3.26Å; P307-Y362 WeakPolarHBondContact O-CD2 3.36Å |
| 308 | H | 88.8 | Confident | 85.9 | Confident | 9 Ų | 9 | 48.4 Ų | 48.4 | 4% | 0.042 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.3 | -49.3 | 176.1 | -173.7 | -69.4 | 0 | 0 | 0 | 111.7 | S192 P304 F305 I306 L310 G311 V312 C361 A365 | S192-H308 VanDerWaalsContact CB-CE1 3.41Å; S192-H308 WeakPolarHBondContact CB-CE1 3.22Å; S192-H308 WeakPolarHBondContact CB-NE2 3.46Å; S192-H308 PolarHBondContact OG-CD2 2.95Å; S192-H308 PolarHBondContact OG-CE1 2.92Å; S192-H308 PolarHBondContact OG-NE2 3.2Å; P304-H308 PolarHBondContact O-N 2.96Å; F305-H308 WeakPolarHBondContact O-CB 3.45Å; F305-H308 PolarHBondContact O-N 3.49Å; I306-H308 VanDerWaalsContact C-N 3.29Å; I306-H308 PolarHBondContact O-N 3.47Å; H308-L310 VanDerWaalsContact C-N 3.29Å; H308-L310 PolarHBondContact O-N 3.49Å; H308-G311 WeakPolarHBondContact O-CA 3.47Å; H308-G311 PolarHBondContact O-N 2.92Å; H308-V312 PolarHBondContact O-N 2.75Å; H308-C361 HydrophobicContact CB-CB 4.08Å; H308-C361 PolarHBondContact CD2-O 3.48Å; H308-C361 VanDerWaalsContact CD2-O 3.3Å; H308-A365 WeakPolarHBondContact O-CB 3.49Å |
| 309 | L | 85.9 | Confident | 86.4 | Confident | 81 Ų | 81 | 48.7 Ų | 48.7 | 42% | 0.424 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.3 | -38.9 | 178.9 | -157.3 | 85.6 | 0 | 0 | 0 | 111.9 | A189 F305 I306 P307 G311 V312 Y313 | A189-L309 HydrophobicContact CB-CD1 3.72Å; F305-L309 HydrophobicContact CE2-CD1 4.45Å; F305-L309 HydrophobicContact CZ-CD1 4.14Å; F305-L309 PolarHBondContact O-N 3.4Å; I306-L309 PolarHBondContact O-N 2.99Å; I306-L309 VanDerWaalsContact O-N 3.17Å; P307-L309 PolarHBondContact O-N 3.35Å; L309-G311 VanDerWaalsContact C-N 3.32Å; L309-V312 PolarHBondContact O-N 3.34Å; L309-Y313 WeakPolarHBondContact O-CB 3.24Å; L309-Y313 PolarHBondContact O-N 3.3Å |
| 310 | L | 89.9 | Confident | 86.3 | Confident | 96 Ų | 96 | 54.2 Ų | 54.2 | 50% | 0.503 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.9 | -36.1 | 173.9 | -70.7 | 172.7 | 0 | 0 | 0 | 112 | I306 P307 H308 Y313 S314 Y362 | I306-L310 HydrophobicContact CG2-CD1 4.21Å; I306-L310 WeakPolarHBondContact O-CG 3.39Å; I306-L310 PolarHBondContact O-N 3.47Å; P307-L310 CarbonylContact O-C 3.56Å; P307-L310 WeakPolarHBondContact O-CB 3.48Å; P307-L310 PolarHBondContact O-N 2.94Å; H308-L310 VanDerWaalsContact C-N 3.29Å; H308-L310 PolarHBondContact O-N 3.49Å; L310-Y313 PolarHBondContact O-N 3.24Å; L310-S314 VanDerWaalsContact O-CB 3.26Å; L310-S314 WeakPolarHBondContact O-CB 3.46Å; L310-S314 PolarHBondContact O-N 2.9Å; L310-S314 PolarHBondContact O-OG 3.14Å; L310-S314 VanDerWaalsContact O-OG 3.11Å; L310-Y362 HydrophobicContact CB-CD2 4.48Å; L310-Y362 HydrophobicContact CB-CE2 4.3Å |
| 311 | G | 90.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | P307 H308 L309 Y313 S314 A315 | P307-G311 PolarHBondContact O-N 3.24Å; H308-G311 WeakPolarHBondContact O-CA 3.47Å; H308-G311 PolarHBondContact O-N 2.92Å; L309-G311 VanDerWaalsContact C-N 3.32Å; G311-Y313 PolarHBondContact O-N 3.37Å; G311-S314 PolarHBondContact O-N 3.04Å; G311-S314 PolarHBondContact O-OG 3.23Å; G311-A315 VanDerWaalsContact O-CB 3.25Å; G311-A315 WeakPolarHBondContact O-CB 3.3Å; G311-A315 PolarHBondContact O-N 2.97Å |
| 312 | V | 86.9 | Confident | 86.5 | Confident | 10 Ų | 10 | 68 Ų | 68 | 6% | 0.061 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.7 | -47.9 | 173.6 | 178.6 | 0 | 0 | 0 | 0 | 110.3 | H308 L309 S314 A315 V316 A365 T369 | H308-V312 PolarHBondContact O-N 2.75Å; L309-V312 PolarHBondContact O-N 3.34Å; V312-S314 PolarHBondContact O-N 3.3Å; V312-A315 PolarHBondContact O-N 3.35Å; V312-V316 HydrophobicContact CG1-CG2 4.44Å; V312-V316 WeakPolarHBondContact O-CG2 3.29Å; V312-V316 PolarHBondContact O-N 2.63Å; V312-A365 HydrophobicContact CG2-CB 4Å; V312-T369 HydrophobicContact CG1-CG2 4.33Å |
| 313 | Y | 87.3 | Confident | 86.3 | Confident | 135 Ų | 135 | 67.4 Ų | 67.4 | 53% | 0.529 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 179.8 | 176 | -101.5 | 0 | 0 | 0 | 112.4 | L309 L310 G311 R317 | L309-Y313 WeakPolarHBondContact O-CB 3.24Å; L309-Y313 PolarHBondContact O-N 3.3Å; L310-Y313 PolarHBondContact O-N 3.24Å; G311-Y313 PolarHBondContact O-N 3.37Å; Y313-R317 VanDerWaalsContact O-CB 3.29Å; Y313-R317 WeakPolarHBondContact O-CB 3.3Å; Y313-R317 PolarHBondContact O-N 2.73Å; Y313-R317 PolarHBondContact OH-NH1 3.06Å |
| 314 | S | 90.9 | Very high | 85.9 | Confident | 23 Ų | 23 | 71 Ų | 71 | 16% | 0.161 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.6 | -43.4 | 179.9 | 68.3 | 0 | 0 | 0 | 0 | 111.2 | L310 G311 V312 R317 L318 Y362 | L310-S314 VanDerWaalsContact O-CB 3.26Å; L310-S314 WeakPolarHBondContact O-CB 3.46Å; L310-S314 PolarHBondContact O-N 2.9Å; L310-S314 PolarHBondContact O-OG 3.14Å; L310-S314 VanDerWaalsContact O-OG 3.11Å; G311-S314 PolarHBondContact O-N 3.04Å; G311-S314 PolarHBondContact O-OG 3.23Å; V312-S314 PolarHBondContact O-N 3.3Å; S314-R317 PolarHBondContact O-N 2.95Å; S314-L318 VanDerWaalsContact O-CB 3.26Å; S314-L318 WeakPolarHBondContact O-CB 3.4Å; S314-L318 WeakPolarHBondContact O-CD1 3.22Å; S314-L318 VanDerWaalsContact O-CG 3.28Å; S314-L318 WeakPolarHBondContact O-CG 3.32Å; S314-L318 PolarHBondContact O-N 3.45Å; S314-Y362 PolarHBondContact OG-OH 3.19Å |
| 315 | A | 88 | Confident | 85.9 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.6 | -50 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | G311 V312 R317 L318 M319 I329 L366 T369 | G311-A315 VanDerWaalsContact O-CB 3.25Å; G311-A315 WeakPolarHBondContact O-CB 3.3Å; G311-A315 PolarHBondContact O-N 2.97Å; V312-A315 PolarHBondContact O-N 3.35Å; A315-R317 VanDerWaalsContact C-N 3.3Å; A315-R317 PolarHBondContact O-N 3.37Å; A315-L318 PolarHBondContact O-N 3.25Å; A315-M319 WeakPolarHBondContact O-CB 3.37Å; A315-M319 WeakPolarHBondContact O-CG 3.34Å; A315-M319 PolarHBondContact O-N 2.69Å; A315-I329 HydrophobicContact CB-CG2 4.35Å; A315-L366 HydrophobicContact CB-CD2 3.89Å; A315-T369 HydrophobicContact CB-CG2 3.6Å |
| 316 | V | 83.9 | Confident | 86.1 | Confident | 41 Ų | 41 | 72.2 Ų | 72.2 | 25% | 0.248 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.8 | -43.2 | 177.2 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | V312 K320 T369 | V312-V316 HydrophobicContact CG1-CG2 4.44Å; V312-V316 WeakPolarHBondContact O-CG2 3.29Å; V312-V316 PolarHBondContact O-N 2.63Å; V316-K320 WeakPolarHBondContact O-CB 3.4Å; V316-K320 PolarHBondContact O-N 3.07Å; V316-T369 HydrophobicContact CG2-CG2 3.62Å |
| 317 | R | 87.2 | Confident | 86.2 | Confident | 162 Ų | 162 | 69.3 Ų | 69.3 | 61% | 0.611 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -69.2 | -38.5 | -179.4 | -166.8 | 172.2 | -179.2 | 102.2 | 3 | 112.3 | Y313 S314 A315 R321 | Y313-R317 VanDerWaalsContact O-CB 3.29Å; Y313-R317 WeakPolarHBondContact O-CB 3.3Å; Y313-R317 PolarHBondContact O-N 2.73Å; Y313-R317 PolarHBondContact OH-NH1 3.06Å; S314-R317 PolarHBondContact O-N 2.95Å; A315-R317 VanDerWaalsContact C-N 3.3Å; A315-R317 PolarHBondContact O-N 3.37Å; R317-R321 PolarHBondContact O-N 3.45Å |
| 318 | L | 87.4 | Confident | 86.3 | Confident | 74 Ų | 74 | 73 Ų | 73 | 39% | 0.387 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67.5 | -46.1 | 176.1 | -80.2 | 163.4 | 0 | 0 | 0 | 111.3 | S314 A315 K320 R321 Y322 I329 | S314-L318 VanDerWaalsContact O-CB 3.26Å; S314-L318 WeakPolarHBondContact O-CB 3.4Å; S314-L318 WeakPolarHBondContact O-CD1 3.22Å; S314-L318 VanDerWaalsContact O-CG 3.28Å; S314-L318 WeakPolarHBondContact O-CG 3.32Å; S314-L318 PolarHBondContact O-N 3.45Å; A315-L318 PolarHBondContact O-N 3.25Å; L318-K320 VanDerWaalsContact C-N 3.32Å; L318-K320 PolarHBondContact O-N 3.39Å; L318-R321 CarbonylContact O-C 3.2Å; L318-R321 PolarHBondContact O-N 2.81Å; L318-R321 VanDerWaalsContact O-N 3.09Å; L318-Y322 HydrophobicContact CD2-CD2 4.32Å; L318-Y322 HydrophobicContact CD2-CE2 4.48Å; L318-Y322 PolarHBondContact O-N 3.1Å; L318-I329 HydrophobicContact CB-CD1 3.77Å |
| 319 | M | 83.3 | Confident | 86.5 | Confident | 20 Ų | 20 | 73.1 Ų | 73.1 | 10% | 0.099 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.5 | -37.9 | 176.9 | -72.4 | -171.4 | -64.7 | 0 | 0 | 112.4 | A315 R321 Y322 P323 P326 I329 T369 A370 | A315-M319 WeakPolarHBondContact O-CB 3.37Å; A315-M319 WeakPolarHBondContact O-CG 3.34Å; A315-M319 PolarHBondContact O-N 2.69Å; M319-R321 PolarHBondContact O-N 3.25Å; M319-Y322 CarbonylContact O-C 3.58Å; M319-Y322 VanDerWaalsContact O-C 3.32Å; M319-Y322 PolarHBondContact O-N 3.39Å; M319-P323 WeakPolarHBondContact O-CA 3.49Å; M319-P326 HydrophobicContact CG-CG 4.43Å; M319-P326 HydrophobicContact SD-CG 4.42Å; M319-I329 HydrophobicContact CG-CD1 3.72Å; M319-T369 HydrophobicContact CE-CG2 3.82Å; M319-T369 WeakPolarHBondContact CE-O 3.36Å; M319-A370 HydrophobicContact SD-CB 4.33Å |
| 320 | K | 79.3 | Confident | 86.8 | Confident | 169 Ų | 169 | 69.3 Ų | 69.3 | 74% | 0.735 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -62.2 | -33.8 | 174.1 | -171 | 176.4 | -178.5 | 178.9 | 0 | 112.1 | V316 L318 | V316-K320 WeakPolarHBondContact O-CB 3.4Å; V316-K320 PolarHBondContact O-N 3.07Å; L318-K320 VanDerWaalsContact C-N 3.32Å; L318-K320 PolarHBondContact O-N 3.39Å |
| 321 | R | 84 | Confident | 87 | Confident | 187 Ų | 187 | 65.6 Ų | 65.6 | 71% | 0.706 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -85.5 | -32.3 | 179.6 | -167.1 | 169 | -171.7 | 148.3 | 3.3 | 112.9 | R317 L318 M319 | R317-R321 PolarHBondContact O-N 3.45Å; L318-R321 CarbonylContact O-C 3.2Å; L318-R321 PolarHBondContact O-N 2.81Å; L318-R321 VanDerWaalsContact O-N 3.09Å; M319-R321 PolarHBondContact O-N 3.25Å |
| 322 | Y | 83.8 | Confident | 87.2 | Confident | 116 Ų | 116 | 68.4 Ų | 68.4 | 46% | 0.455 | 31% | 0.307 | S | S | . | . | trans | -134.3 | 79.2 | -176.7 | -56.6 | -72.5 | 0 | 0 | 0 | 110.6 | L318 M319 R324 L325 | L318-Y322 HydrophobicContact CD2-CD2 4.32Å; L318-Y322 HydrophobicContact CD2-CE2 4.48Å; L318-Y322 PolarHBondContact O-N 3.1Å; M319-Y322 CarbonylContact O-C 3.58Å; M319-Y322 VanDerWaalsContact O-C 3.32Å; M319-Y322 PolarHBondContact O-N 3.39Å; Y322-R324 PolarHBondContact O-N 2.99Å; Y322-R324 VanDerWaalsContact O-N 3.11Å; Y322-L325 HydrophobicContact CD1-CD1 4.37Å; Y322-L325 HydrophobicContact CG-CD1 4.04Å; Y322-L325 PolarHBondContact O-N 3.48Å; Y322-L325 VanDerWaalsContact O-N 3.17Å | ||
| 323 | P | 76.9 | Confident | 87.6 | Confident | 58 Ų | 58 | 67.9 Ų | 67.9 | 38% | 0.377 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -22.1 | -174.8 | -21.9 | 32.8 | 0 | 0 | 0 | 114 | M319 P326 Y443 | M319-P323 WeakPolarHBondContact O-CA 3.49Å; P323-P326 WeakPolarHBondContact O-CD 3.41Å; P323-Y443 VanDerWaalsContact O-CE2 3.24Å; P323-Y443 WeakPolarHBondContact O-CE2 3.48Å |
| 324 | R | 80.5 | Confident | 88 | Confident | 129 Ų | 129 | 61.5 Ų | 61.5 | 49% | 0.487 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -8.8 | -178.9 | -60.3 | -170 | 175 | 108 | 2.2 | 114.6 | Y322 E451 | Y322-R324 PolarHBondContact O-N 2.99Å; Y322-R324 VanDerWaalsContact O-N 3.11Å; R324-E451 IonicContact CZ-OE2 3.14Å; R324-E451 IonicContact NH1-OE1 2.7Å; R324-E451 IonicContact NH1-OE2 3.44Å; R324-E451 PolarHBondContact NH1-OE2 3.48Å; R324-E451 IonicContact NH2-OE2 3.56Å; R324-E451 PolarHBondContact NH2-OE2 2.9Å |
| 325 | L | 86.4 | Confident | 88.1 | Confident | 65 Ų | 65 | 61.2 Ų | 61.2 | 34% | 0.34 | 28% | 0.28 | S | S | . | . | trans | -100.4 | 14.5 | -175.7 | -65 | 178.5 | 0 | 0 | 0 | 118 | Y322 W327 F328 I329 | Y322-L325 HydrophobicContact CD1-CD1 4.37Å; Y322-L325 HydrophobicContact CG-CD1 4.04Å; Y322-L325 PolarHBondContact O-N 3.48Å; Y322-L325 VanDerWaalsContact O-N 3.17Å; L325-W327 VanDerWaalsContact C-N 3.26Å; L325-W327 PolarHBondContact O-N 2.84Å; L325-F328 HydrophobicContact CB-CB 4.46Å; L325-F328 HydrophobicContact CD2-CB 4.3Å; L325-F328 PolarHBondContact O-N 2.98Å; L325-I329 WeakPolarHBondContact O-CG1 2.91Å; L325-I329 PolarHBondContact O-N 3.47Å; L325-I329 VanDerWaalsContact O-N 3.1Å | ||
| 326 | P | 87.9 | Confident | 88.5 | Confident | 4 Ų | 4 | 63.8 Ų | 63.8 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -53.2 | -40.5 | 176.4 | -30 | 36 | 0 | 0 | 0 | 114.2 | M319 P323 F328 I329 A330 A370 L374 Y443 | M319-P326 HydrophobicContact CG-CG 4.43Å; M319-P326 HydrophobicContact SD-CG 4.42Å; P323-P326 WeakPolarHBondContact O-CD 3.41Å; P326-F328 VanDerWaalsContact C-N 3.27Å; P326-F328 PolarHBondContact O-N 2.97Å; P326-I329 PolarHBondContact O-N 3.43Å; P326-A330 PolarHBondContact O-N 3.46Å; P326-A370 HydrophobicContact CB-CB 4.42Å; P326-L374 HydrophobicContact CB-CD2 4.19Å; P326-Y443 HydrophobicContact CG-CE2 3.86Å |
| 327 | W | 90.8 | Very high | 89 | Confident | 48 Ų | 48 | 61.8 Ų | 61.8 | 18% | 0.182 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.8 | -37.2 | 178 | 72.8 | -88.2 | 0 | 0 | 0 | 112.8 | L325 A331 L436 I439 K440 | L325-W327 VanDerWaalsContact C-N 3.26Å; L325-W327 PolarHBondContact O-N 2.84Å; W327-A331 WeakPolarHBondContact O-CB 3.46Å; W327-A331 PolarHBondContact O-N 3.36Å; W327-L436 WeakPolarHBondContact CB-O 3.39Å; W327-I439 HydrophobicContact CB-CB 4.26Å; W327-K440 HydrophobicContact CD2-CB 4.12Å; W327-K440 HydrophobicContact CG-CB 4.21Å; W327-K440 HydrophobicContact CH2-CD 4.46Å; W327-K440 HydrophobicContact CZ2-CB 4.42Å; W327-K440 HydrophobicContact CZ2-CD 3.8Å; W327-K440 HydrophobicContact CZ2-CG 4.05Å |
| 328 | F | 92.6 | Very high | 89.2 | Confident | 105 Ų | 105 | 54.1 Ų | 54.1 | 46% | 0.461 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -75.3 | -40.1 | -179.3 | -179.1 | -104.7 | 0 | 0 | 0 | 110.9 | L325 P326 A330 A331 V332 | L325-F328 HydrophobicContact CB-CB 4.46Å; L325-F328 HydrophobicContact CD2-CB 4.3Å; L325-F328 PolarHBondContact O-N 2.98Å; P326-F328 VanDerWaalsContact C-N 3.27Å; P326-F328 PolarHBondContact O-N 2.97Å; F328-A330 VanDerWaalsContact C-N 3.31Å; F328-A330 PolarHBondContact O-N 2.99Å; F328-A331 PolarHBondContact O-N 2.98Å; F328-V332 HydrophobicContact CD1-CG2 4.3Å; F328-V332 HydrophobicContact CE1-CG2 3.88Å; F328-V332 HydrophobicContact CE2-CG2 4.27Å; F328-V332 HydrophobicContact CZ-CG2 3.86Å; F328-V332 WeakPolarHBondContact O-CG2 3.44Å; F328-V332 PolarHBondContact O-N 2.92Å |
| 329 | I | 92.8 | Very high | 89.5 | Confident | 13 Ų | 13 | 55.2 Ų | 55.2 | 7% | 0.067 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.7 | -45.1 | 175.1 | -63.1 | 168.5 | 0 | 0 | 0 | 110.1 | A315 L318 M319 L325 P326 V332 G333 L366 A370 | A315-I329 HydrophobicContact CB-CG2 4.35Å; L318-I329 HydrophobicContact CB-CD1 3.77Å; M319-I329 HydrophobicContact CG-CD1 3.72Å; L325-I329 WeakPolarHBondContact O-CG1 2.91Å; L325-I329 PolarHBondContact O-N 3.47Å; L325-I329 VanDerWaalsContact O-N 3.1Å; P326-I329 PolarHBondContact O-N 3.43Å; I329-V332 PolarHBondContact O-N 2.94Å; I329-G333 PolarHBondContact O-N 3.04Å; I329-L366 HydrophobicContact CG2-CB 4.09Å; I329-L366 HydrophobicContact CG2-CD2 4.11Å; I329-A370 HydrophobicContact CB-CB 4.24Å; I329-A370 HydrophobicContact CG2-CB 4.11Å |
| 330 | A | 93.2 | Very high | 90 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.4 | -39.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | P326 F328 V332 G333 L334 A370 L371 L436 | P326-A330 PolarHBondContact O-N 3.46Å; F328-A330 VanDerWaalsContact C-N 3.31Å; F328-A330 PolarHBondContact O-N 2.99Å; A330-V332 PolarHBondContact O-N 2.83Å; A330-G333 PolarHBondContact O-N 3.09Å; A330-L334 PolarHBondContact O-N 3.39Å; A330-A370 HydrophobicContact CB-CB 4.27Å; A330-L371 HydrophobicContact CB-CD1 4.23Å; A330-L371 HydrophobicContact CB-CD2 3.85Å; A330-L371 HydrophobicContact CB-CG 3.91Å; A330-L436 HydrophobicContact CB-CD1 3.74Å; A330-L436 HydrophobicContact CB-CD2 4.45Å |
| 331 | A | 93.8 | Very high | 90.6 | Very high | 18 Ų | 18 | 46.2 Ų | 46.2 | 15% | 0.149 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.9 | -38.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | W327 F328 G333 G335 A433 L436 | W327-A331 WeakPolarHBondContact O-CB 3.46Å; W327-A331 PolarHBondContact O-N 3.36Å; F328-A331 PolarHBondContact O-N 2.98Å; A331-G333 VanDerWaalsContact C-N 3.34Å; A331-G335 PolarHBondContact O-N 3.42Å; A331-A433 HydrophobicContact CB-CB 4.48Å; A331-L436 HydrophobicContact CB-CB 4.43Å; A331-L436 HydrophobicContact CB-CD1 3.89Å; A331-L436 VanDerWaalsContact N-CD1 3.33Å |
| 332 | V | 94.6 | Very high | 91 | Very high | 59 Ų | 59 | 41.1 Ų | 41.1 | 36% | 0.358 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.2 | -41.6 | 171.9 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | F328 I329 A330 G335 L336 L366 | F328-V332 HydrophobicContact CD1-CG2 4.3Å; F328-V332 HydrophobicContact CE1-CG2 3.88Å; F328-V332 HydrophobicContact CE2-CG2 4.27Å; F328-V332 HydrophobicContact CZ-CG2 3.86Å; F328-V332 WeakPolarHBondContact O-CG2 3.44Å; F328-V332 PolarHBondContact O-N 2.92Å; I329-V332 PolarHBondContact O-N 2.94Å; A330-V332 PolarHBondContact O-N 2.83Å; V332-G335 PolarHBondContact O-N 2.93Å; V332-L336 HydrophobicContact CG1-CD1 4.16Å; V332-L336 HydrophobicContact CG1-CG 4.42Å; V332-L336 WeakPolarHBondContact O-CG 3.06Å; V332-L336 PolarHBondContact O-N 3.45Å; V332-L366 HydrophobicContact CG1-CD1 4.3Å |
| 333 | G | 95 | Very high | 91.4 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -54.9 | -55.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I329 A330 A331 G335 L336 E337 | I329-G333 PolarHBondContact O-N 3.04Å; A330-G333 PolarHBondContact O-N 3.09Å; A331-G333 VanDerWaalsContact C-N 3.34Å; G333-G335 VanDerWaalsContact C-N 3.3Å; G333-G335 PolarHBondContact O-N 3.23Å; G333-L336 PolarHBondContact O-N 2.89Å; G333-L336 VanDerWaalsContact O-N 3.13Å; G333-E337 WeakPolarHBondContact O-CG 3.32Å; G333-E337 PolarHBondContact O-N 2.92Å |
| 334 | L | 94.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.9 | -40.9 | 176.6 | -73.4 | 175.1 | 0 | 0 | 0 | 112.4 | A266 T269 A270 A330 L336 E337 G338 V367 N429 Y432 A433 L436 | A266-L334 HydrophobicContact CB-CD1 4.41Å; T269-L334 HydrophobicContact CG2-CD2 4.37Å; A270-L334 HydrophobicContact CB-CD2 3.8Å; A330-L334 PolarHBondContact O-N 3.39Å; L334-L336 PolarHBondContact O-N 3.36Å; L334-E337 PolarHBondContact O-N 2.84Å; L334-G338 PolarHBondContact O-N 3.5Å; L334-V367 HydrophobicContact CD2-CG2 4.34Å; L334-V367 HydrophobicContact CG-CG2 4.07Å; L334-N429 VanDerWaalsContact CD2-OD1 3.25Å; L334-N429 WeakPolarHBondContact CD2-OD1 3.21Å; L334-N429 WeakPolarHBondContact O-CB 3.42Å; L334-Y432 HydrophobicContact CD1-CD1 4.19Å; L334-A433 HydrophobicContact CB-CB 4.24Å; L334-A433 HydrophobicContact CD1-CB 4.46Å; L334-L436 HydrophobicContact CD1-CD1 3.68Å |
| 335 | G | 94.5 | Very high | 92.6 | Very high | 18 Ų | 18 | 31.1 Ų | 31.1 | 19% | 0.186 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.2 | -43.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A331 V332 G333 G338 I339 | A331-G335 PolarHBondContact O-N 3.42Å; V332-G335 PolarHBondContact O-N 2.93Å; G333-G335 VanDerWaalsContact C-N 3.3Å; G333-G335 PolarHBondContact O-N 3.23Å; G335-G338 PolarHBondContact O-N 3.39Å; G335-I339 WeakPolarHBondContact O-CD1 3.25Å; G335-I339 VanDerWaalsContact O-CG1 3.29Å; G335-I339 WeakPolarHBondContact O-CG1 2.81Å; G335-I339 PolarHBondContact O-N 3.12Å; G335-I339 VanDerWaalsContact O-N 3.09Å |
| 336 | L | 95.1 | Very high | 92.7 | Very high | 53 Ų | 53 | 34.1 Ų | 34.1 | 28% | 0.277 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64.8 | -40.2 | 176.9 | -71.4 | 174.8 | 0 | 0 | 0 | 112.1 | V332 G333 L334 S340 I359 Y362 L366 | V332-L336 HydrophobicContact CG1-CD1 4.16Å; V332-L336 HydrophobicContact CG1-CG 4.42Å; V332-L336 WeakPolarHBondContact O-CG 3.06Å; V332-L336 PolarHBondContact O-N 3.45Å; G333-L336 PolarHBondContact O-N 2.89Å; G333-L336 VanDerWaalsContact O-N 3.13Å; L334-L336 PolarHBondContact O-N 3.36Å; L336-S340 WeakPolarHBondContact O-CB 3.31Å; L336-S340 PolarHBondContact O-N 3.39Å; L336-I359 HydrophobicContact CB-CG2 4.15Å; L336-I359 HydrophobicContact CD2-CG2 4.25Å; L336-Y362 HydrophobicContact CD1-CD1 3.89Å; L336-Y362 HydrophobicContact CD1-CE1 4.13Å; L336-L366 HydrophobicContact CD1-CD1 4.18Å |
| 337 | E | 94.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.6 | -48.8 | 175.7 | -69.8 | 175.6 | -133.6 | 0 | 0 | 111.8 | A270 S273 G333 L334 I339 S340 C341 I364 V367 | A270-E337 WeakPolarHBondContact CA-OE2 3.34Å; S273-E337 PolarHBondContact OG-OE2 3.25Å; G333-E337 WeakPolarHBondContact O-CG 3.32Å; G333-E337 PolarHBondContact O-N 2.92Å; L334-E337 PolarHBondContact O-N 2.84Å; E337-I339 PolarHBondContact O-N 3.41Å; E337-S340 PolarHBondContact O-N 2.79Å; E337-C341 PolarHBondContact O-N 2.99Å; E337-C341 PolarHBondContact O-SG 3.08Å; E337-I364 VanDerWaalsContact CD-CG1 3.43Å; E337-I364 HydrophobicContact CG-CG1 3.98Å; E337-I364 VanDerWaalsContact OE1-CA 3.28Å; E337-I364 WeakPolarHBondContact OE1-CA 3.43Å; E337-I364 PolarHBondContact OE1-N 2.87Å; E337-V367 WeakPolarHBondContact OE1-CG2 2.91Å |
| 338 | G | 92.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.6 | -48.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L334 G335 S340 C341 F342 C426 | L334-G338 PolarHBondContact O-N 3.5Å; G335-G338 PolarHBondContact O-N 3.39Å; G338-S340 VanDerWaalsContact C-N 3.3Å; G338-S340 PolarHBondContact O-N 2.99Å; G338-C341 PolarHBondContact O-N 3.22Å; G338-F342 PolarHBondContact O-N 3.25Å; G338-C426 VanDerWaalsContact O-CB 3.28Å; G338-C426 WeakPolarHBondContact O-CB 3.31Å; G338-C426 PolarHBondContact O-SG 3.37Å |
| 339 | I | 92.3 | Very high | 92.3 | Very high | 97 Ų | 97 | 37 Ų | 37 | 50% | 0.497 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.6 | -40.1 | 177.5 | -67 | 167 | 0 | 0 | 0 | 110.8 | G335 E337 F342 I343 | G335-I339 WeakPolarHBondContact O-CD1 3.25Å; G335-I339 VanDerWaalsContact O-CG1 3.29Å; G335-I339 WeakPolarHBondContact O-CG1 2.81Å; G335-I339 PolarHBondContact O-N 3.12Å; G335-I339 VanDerWaalsContact O-N 3.09Å; E337-I339 PolarHBondContact O-N 3.41Å; I339-F342 PolarHBondContact O-N 3.2Å; I339-I343 HydrophobicContact CG2-CD1 4.01Å; I339-I343 WeakPolarHBondContact O-CG1 3.38Å; I339-I343 PolarHBondContact O-N 3.35Å |
| 340 | S | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.5 | -49.8 | 178.7 | 176.7 | 0 | 0 | 0 | 0 | 112.1 | L336 E337 G338 F342 I343 V344 P356 | L336-S340 WeakPolarHBondContact O-CB 3.31Å; L336-S340 PolarHBondContact O-N 3.39Å; E337-S340 PolarHBondContact O-N 2.79Å; G338-S340 VanDerWaalsContact C-N 3.3Å; G338-S340 PolarHBondContact O-N 2.99Å; S340-F342 PolarHBondContact O-N 3.28Å; S340-I343 WeakPolarHBondContact O-CB 2.82Å; S340-I343 PolarHBondContact O-N 3.03Å; S340-V344 PolarHBondContact O-N 2.97Å; S340-P356 WeakPolarHBondContact OG-CA 3.48Å; S340-P356 WeakPolarHBondContact OG-CB 3.31Å; S340-P356 PolarHBondContact OG-O 3.2Å |
| 341 | C | 92.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.3 | -38.7 | 177.6 | -71.3 | 0 | 0 | 0 | 0 | 111.8 | E337 G338 I343 V344 P345 L360 N422 I425 | E337-C341 PolarHBondContact O-N 2.99Å; E337-C341 PolarHBondContact O-SG 3.08Å; G338-C341 PolarHBondContact O-N 3.22Å; C341-I343 PolarHBondContact O-N 3.02Å; C341-V344 PolarHBondContact O-N 3.32Å; C341-P345 VanDerWaalsContact O-CD 3.32Å; C341-P345 WeakPolarHBondContact O-CD 3.48Å; C341-L360 WeakPolarHBondContact SG-CD1 3.17Å; C341-N422 WeakPolarHBondContact O-CB 3.47Å; C341-N422 PolarHBondContact O-OD1 2.83Å; C341-N422 VanDerWaalsContact O-OD1 3.07Å; C341-I425 HydrophobicContact CB-CB 4.27Å; C341-I425 HydrophobicContact CB-CG2 3.9Å; C341-I425 VanDerWaalsContact SG-CG2 3.53Å |
| 342 | F | 92.4 | Very high | 91.3 | Very high | 80 Ų | 80 | 43.3 Ų | 43.3 | 35% | 0.351 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.1 | -30.4 | 175.8 | -175.9 | -99.7 | 0 | 0 | 0 | 113.4 | G338 I339 S340 F346 F419 L423 C426 | G338-F342 PolarHBondContact O-N 3.25Å; I339-F342 PolarHBondContact O-N 3.2Å; S340-F342 PolarHBondContact O-N 3.28Å; F342-F346 HydrophobicContact CD1-CE2 4.38Å; F342-F346 AromaticContact CE1-CE2 3.97Å; F342-F346 HydrophobicContact CE1-CE2 3.97Å; F342-F346 HydrophobicContact CZ-CE2 4.1Å; F342-F346 HydrophobicContact CZ-CZ 4.43Å; F342-F346 WeakPolarHBondContact O-CD2 3.39Å; F342-F346 VanDerWaalsContact O-CE2 3.31Å; F342-F346 WeakPolarHBondContact O-CE2 3.35Å; F342-F419 HydrophobicContact CE2-CE2 4.24Å; F342-F419 HydrophobicContact CE2-CZ 4.18Å; F342-L423 HydrophobicContact CD2-CD1 4.1Å; F342-L423 HydrophobicContact CE2-CD1 4.09Å; F342-C426 HydrophobicContact CB-CB 4.14Å |
| 343 | I | 92.5 | Very high | 91 | Very high | 69 Ų | 69 | 40.5 Ų | 40.5 | 35% | 0.354 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -79.4 | -30.6 | -179.3 | -65.3 | 165.8 | 0 | 0 | 0 | 112 | I339 S340 C341 F346 P356 | I339-I343 HydrophobicContact CG2-CD1 4.01Å; I339-I343 WeakPolarHBondContact O-CG1 3.38Å; I339-I343 PolarHBondContact O-N 3.35Å; S340-I343 WeakPolarHBondContact O-CB 2.82Å; S340-I343 PolarHBondContact O-N 3.03Å; C341-I343 PolarHBondContact O-N 3.02Å; I343-F346 PolarHBondContact O-N 2.87Å; I343-P356 HydrophobicContact CB-CB 4.33Å; I343-P356 HydrophobicContact CG2-CB 4.23Å; I343-P356 HydrophobicContact CG2-CG 4.42Å |
| 344 | V | 91.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -50 | -49.7 | -173.7 | 178.8 | 0 | 0 | 0 | 0 | 113.2 | I281 W284 S340 C341 F346 T347 P356 F418 | I281-V344 HydrophobicContact CD1-CG1 4.28Å; W284-V344 WeakPolarHBondContact CH2-O 3.47Å; W284-V344 HydrophobicContact CZ3-CG1 4.33Å; S340-V344 PolarHBondContact O-N 2.97Å; C341-V344 PolarHBondContact O-N 3.32Å; V344-F346 PolarHBondContact O-N 2.64Å; V344-F346 VanDerWaalsContact O-N 3.08Å; V344-T347 PolarHBondContact O-N 2.7Å; V344-T347 VanDerWaalsContact O-N 3.12Å; V344-T347 PolarHBondContact O-OG1 3.06Å; V344-P356 HydrophobicContact CG2-CB 3.83Å; V344-P356 HydrophobicContact CG2-CG 4.02Å; V344-F418 HydrophobicContact CG1-CE1 3.96Å; V344-F418 HydrophobicContact CG1-CZ 4.07Å |
| 345 | P | 89.9 | Confident | 90.7 | Very high | 25 Ų | 25 | 47.3 Ų | 47.3 | 16% | 0.162 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -62.7 | -18.1 | -177.4 | -23.1 | 34.9 | 0 | 0 | 0 | 115.1 | C341 F418 F419 N422 | C341-P345 VanDerWaalsContact O-CD 3.32Å; C341-P345 WeakPolarHBondContact O-CD 3.48Å; P345-F418 HydrophobicContact CB-CD1 4.33Å; P345-F418 HydrophobicContact CG-CD1 4.15Å; P345-F418 HydrophobicContact CG-CE1 4.16Å; P345-F419 HydrophobicContact CB-CD2 4.02Å; P345-F419 HydrophobicContact CG-CD2 4.15Å; P345-N422 HydrophobicContact CG-CB 3.76Å |
| 346 | F | 89.9 | Confident | 90.7 | Very high | 127 Ų | 127 | 46.6 Ų | 46.6 | 56% | 0.557 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -88.8 | -3.2 | -179.3 | -62.4 | -76.1 | 0 | 0 | 0 | 113.3 | F342 I343 V344 F419 | F342-F346 HydrophobicContact CD1-CE2 4.38Å; F342-F346 AromaticContact CE1-CE2 3.97Å; F342-F346 HydrophobicContact CE1-CE2 3.97Å; F342-F346 HydrophobicContact CZ-CE2 4.1Å; F342-F346 HydrophobicContact CZ-CZ 4.43Å; F342-F346 WeakPolarHBondContact O-CD2 3.39Å; F342-F346 VanDerWaalsContact O-CE2 3.31Å; F342-F346 WeakPolarHBondContact O-CE2 3.35Å; I343-F346 PolarHBondContact O-N 2.87Å; V344-F346 PolarHBondContact O-N 2.64Å; V344-F346 VanDerWaalsContact O-N 3.08Å; F346-F419 AromaticContact CE2-CE2 3.99Å; F346-F419 HydrophobicContact CE2-CE2 3.99Å; F346-F419 HydrophobicContact CZ-CD2 4.44Å; F346-F419 AromaticContact CZ-CE2 3.73Å; F346-F419 HydrophobicContact CZ-CE2 3.73Å |
| 347 | T | 90.1 | Very high | 90.5 | Very high | 18 Ų | 18 | 44.1 Ų | 44.1 | 11% | 0.11 | 23% | 0.232 | C | C | . | . | trans | -80.3 | 136.5 | 179.3 | 60.9 | 0 | 0 | 0 | 0 | 111.1 | W284 V344 G352 V353 P356 | W284-T347 WeakPolarHBondContact CH2-OG1 3.15Å; V344-T347 PolarHBondContact O-N 2.7Å; V344-T347 VanDerWaalsContact O-N 3.12Å; V344-T347 PolarHBondContact O-OG1 3.06Å; T347-G352 WeakPolarHBondContact CG2-O 3.21Å; T347-V353 VanDerWaalsContact OG1-CG2 3.24Å; T347-V353 WeakPolarHBondContact OG1-CG2 3.5Å; T347-P356 HydrophobicContact CG2-CG 3.99Å | ||
| 348 | T | 84.6 | Confident | 90.4 | Very high | 119 Ų | 119 | 44.9 Ų | 44.9 | 73% | 0.73 | 24% | 0.239 | S | C | * | . | trans | -108.5 | -8.8 | -171.7 | 54.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 349 | N | 87 | Confident | 90.5 | Very high | 80 Ų | 80 | 47.9 Ų | 47.9 | 43% | 0.428 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -142.4 | 158.5 | 179.4 | 59.6 | 31.1 | 0 | 0 | 0 | 110.9 | T351 G352 V353 | N349-T351 VanDerWaalsContact C-N 3.26Å; N349-T351 PolarHBondContact O-N 3.12Å; N349-G352 PolarHBondContact O-N 2.9Å; N349-G352 WeakPolarHBondContact OD1-CA 3.36Å; N349-G352 PolarHBondContact OD1-N 3.28Å; N349-V353 PolarHBondContact O-N 3.37Å |
| 350 | Y | 84 | Confident | 90.5 | Very high | 71 Ų | 71 | 43.2 Ų | 43.2 | 28% | 0.278 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.9 | -33.7 | -176 | 83.1 | -87.6 | 0 | 0 | 0 | 112.3 | M289 V300 G352 V353 | M289-Y350 PolarHBondContact SD-N 2.88Å; V300-Y350 HydrophobicContact CG1-CD2 4.43Å; Y350-G352 VanDerWaalsContact C-N 3.28Å; Y350-G352 PolarHBondContact O-N 3.44Å; Y350-V353 WeakPolarHBondContact O-CB 3.33Å; Y350-V353 PolarHBondContact O-N 3.23Å |
| 351 | T | 86.1 | Confident | 90.4 | Very high | 77 Ų | 77 | 43.5 Ų | 43.5 | 47% | 0.472 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.7 | -32.4 | 176.9 | -27.1 | 0 | 0 | 0 | 0 | 112.1 | N349 I354 | N349-T351 VanDerWaalsContact C-N 3.26Å; N349-T351 PolarHBondContact O-N 3.12Å; T351-I354 HydrophobicContact CG2-CD1 4.33Å; T351-I354 WeakPolarHBondContact O-CB 3.43Å; T351-I354 PolarHBondContact O-N 3.16Å |
| 352 | G | 88.6 | Confident | 90.4 | Very high | 17 Ų | 17 | 46.8 Ų | 46.8 | 18% | 0.175 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -72.4 | -31.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T347 N349 Y350 I354 I355 P356 | T347-G352 WeakPolarHBondContact CG2-O 3.21Å; N349-G352 PolarHBondContact O-N 2.9Å; N349-G352 WeakPolarHBondContact OD1-CA 3.36Å; N349-G352 PolarHBondContact OD1-N 3.28Å; Y350-G352 VanDerWaalsContact C-N 3.28Å; Y350-G352 PolarHBondContact O-N 3.44Å; G352-I354 VanDerWaalsContact C-N 3.25Å; G352-I354 PolarHBondContact O-N 3.14Å; G352-I355 PolarHBondContact O-N 3.15Å; G352-P356 WeakPolarHBondContact O-CD 3.31Å |
| 353 | V | 90.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.6 | -30.8 | 174.2 | 178.6 | 0 | 0 | 0 | 0 | 111.9 | I281 W284 M289 T347 N349 Y350 I355 P356 L357 | I281-V353 HydrophobicContact CD1-CG1 3.78Å; W284-V353 HydrophobicContact CH2-CG2 4.38Å; W284-V353 HydrophobicContact CZ3-CG2 3.94Å; M289-V353 HydrophobicContact CE-CG2 3.56Å; M289-V353 HydrophobicContact SD-CG2 4.39Å; T347-V353 VanDerWaalsContact OG1-CG2 3.24Å; T347-V353 WeakPolarHBondContact OG1-CG2 3.5Å; N349-V353 PolarHBondContact O-N 3.37Å; Y350-V353 WeakPolarHBondContact O-CB 3.33Å; Y350-V353 PolarHBondContact O-N 3.23Å; V353-I355 VanDerWaalsContact C-N 3.26Å; V353-I355 PolarHBondContact O-N 3.35Å; V353-P356 WeakPolarHBondContact O-CD 3.21Å; V353-P356 WeakPolarHBondContact O-CG 3.39Å; V353-L357 HydrophobicContact CG1-CD1 3.74Å; V353-L357 HydrophobicContact CG1-CG 4.07Å; V353-L357 WeakPolarHBondContact O-CG 3.33Å; V353-L357 PolarHBondContact O-N 3.36Å |
| 354 | I | 90.7 | Very high | 90.4 | Very high | 28 Ų | 28 | 40.1 Ų | 40.1 | 14% | 0.144 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.9 | -35.2 | -178.9 | -65.2 | 167.5 | 0 | 0 | 0 | 111.8 | V300 P303 T351 G352 A358 | V300-I354 HydrophobicContact CB-CG1 4.21Å; P303-I354 HydrophobicContact CB-CG2 3.73Å; P303-I354 HydrophobicContact CG-CD1 4.2Å; P303-I354 HydrophobicContact CG-CG2 4.12Å; T351-I354 HydrophobicContact CG2-CD1 4.33Å; T351-I354 WeakPolarHBondContact O-CB 3.43Å; T351-I354 PolarHBondContact O-N 3.16Å; G352-I354 VanDerWaalsContact C-N 3.25Å; G352-I354 PolarHBondContact O-N 3.14Å; I354-A358 VanDerWaalsContact O-CB 3.25Å; I354-A358 WeakPolarHBondContact O-CB 3.49Å; I354-A358 PolarHBondContact O-N 3.09Å |
| 355 | I | 92.6 | Very high | 90.3 | Very high | 115 Ų | 115 | 40.1 Ų | 40.1 | 59% | 0.59 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -66.5 | -54.3 | -176 | -61.3 | 174.3 | 0 | 0 | 0 | 112.4 | G352 V353 L357 A358 I359 | G352-I355 PolarHBondContact O-N 3.15Å; V353-I355 VanDerWaalsContact C-N 3.26Å; V353-I355 PolarHBondContact O-N 3.35Å; I355-L357 VanDerWaalsContact C-N 3.34Å; I355-L357 PolarHBondContact O-N 2.9Å; I355-A358 WeakPolarHBondContact O-CB 3.39Å; I355-A358 PolarHBondContact O-N 3.48Å; I355-I359 WeakPolarHBondContact O-CG1 3.4Å; I355-I359 PolarHBondContact O-N 2.9Å |
| 356 | P | 93.7 | Very high | 90.4 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.019 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.9 | -42.3 | 174.3 | 22.3 | -30 | 0 | 0 | 0 | 111 | S340 I343 V344 T347 G352 V353 A358 I359 L360 | S340-P356 WeakPolarHBondContact OG-CA 3.48Å; S340-P356 WeakPolarHBondContact OG-CB 3.31Å; S340-P356 PolarHBondContact OG-O 3.2Å; I343-P356 HydrophobicContact CB-CB 4.33Å; I343-P356 HydrophobicContact CG2-CB 4.23Å; I343-P356 HydrophobicContact CG2-CG 4.42Å; V344-P356 HydrophobicContact CG2-CB 3.83Å; V344-P356 HydrophobicContact CG2-CG 4.02Å; T347-P356 HydrophobicContact CG2-CG 3.99Å; G352-P356 WeakPolarHBondContact O-CD 3.31Å; V353-P356 WeakPolarHBondContact O-CD 3.21Å; V353-P356 WeakPolarHBondContact O-CG 3.39Å; P356-A358 VanDerWaalsContact C-N 3.26Å; P356-A358 PolarHBondContact O-N 3.04Å; P356-I359 PolarHBondContact O-N 2.83Å; P356-L360 PolarHBondContact O-N 2.92Å |
| 357 | L | 91.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.4 | -38.6 | 176 | -69.7 | -178.5 | 0 | 0 | 0 | 112.9 | L277 I281 V300 W301 P304 V353 I355 I359 L360 C361 | L277-L357 HydrophobicContact CD2-CD2 3.43Å; L277-L357 VanDerWaalsContact CD2-CD2 3.43Å; I281-L357 HydrophobicContact CD1-CD1 4.12Å; I281-L357 HydrophobicContact CD1-CD2 4.05Å; I281-L357 HydrophobicContact CD1-CG 4.42Å; V300-L357 HydrophobicContact CB-CD1 4.18Å; V300-L357 HydrophobicContact CG2-CD1 3.7Å; W301-L357 HydrophobicContact CD2-CD1 4.43Å; W301-L357 HydrophobicContact CE3-CD1 4.28Å; W301-L357 HydrophobicContact CH2-CD2 3.94Å; W301-L357 HydrophobicContact CZ3-CD1 4.34Å; W301-L357 HydrophobicContact CZ3-CD2 3.87Å; P304-L357 HydrophobicContact CB-CB 4.43Å; P304-L357 HydrophobicContact CG-CB 3.71Å; V353-L357 HydrophobicContact CG1-CD1 3.74Å; V353-L357 HydrophobicContact CG1-CG 4.07Å; V353-L357 WeakPolarHBondContact O-CG 3.33Å; V353-L357 PolarHBondContact O-N 3.36Å; I355-L357 VanDerWaalsContact C-N 3.34Å; I355-L357 PolarHBondContact O-N 2.9Å; L357-I359 PolarHBondContact O-N 3.37Å; L357-L360 WeakPolarHBondContact O-CB 3.49Å; L357-L360 PolarHBondContact O-N 2.88Å; L357-C361 PolarHBondContact O-N 3.11Å; L357-C361 PolarHBondContact O-SG 2.71Å; L357-C361 VanDerWaalsContact O-SG 3.36Å |
| 358 | A | 92.5 | Very high | 90.6 | Very high | 17 Ų | 17 | 33 Ų | 33 | 14% | 0.14 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.2 | -43 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | P307 I354 I355 P356 Y362 | P307-A358 HydrophobicContact CB-CB 4.11Å; P307-A358 VanDerWaalsContact CB-O 3.3Å; P307-A358 WeakPolarHBondContact CB-O 3.12Å; P307-A358 HydrophobicContact CG-CB 3.52Å; I354-A358 VanDerWaalsContact O-CB 3.25Å; I354-A358 WeakPolarHBondContact O-CB 3.49Å; I354-A358 PolarHBondContact O-N 3.09Å; I355-A358 WeakPolarHBondContact O-CB 3.39Å; I355-A358 PolarHBondContact O-N 3.48Å; P356-A358 VanDerWaalsContact C-N 3.26Å; P356-A358 PolarHBondContact O-N 3.04Å; A358-Y362 WeakPolarHBondContact O-CB 3.18Å; A358-Y362 PolarHBondContact O-N 3.12Å |
| 359 | I | 94.6 | Very high | 90.7 | Very high | 62 Ų | 62 | 27.4 Ų | 27.4 | 32% | 0.318 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -67.1 | -39.9 | 176.6 | -62.4 | 169.3 | 0 | 0 | 0 | 110.5 | L336 I355 P356 L357 Y362 G363 | L336-I359 HydrophobicContact CB-CG2 4.15Å; L336-I359 HydrophobicContact CD2-CG2 4.25Å; I355-I359 WeakPolarHBondContact O-CG1 3.4Å; I355-I359 PolarHBondContact O-N 2.9Å; P356-I359 PolarHBondContact O-N 2.83Å; L357-I359 PolarHBondContact O-N 3.37Å; I359-Y362 PolarHBondContact O-N 3.03Å; I359-G363 PolarHBondContact O-N 2.82Å |
| 360 | L | 93 | Very high | 90.8 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.2 | -51.4 | 177.6 | -179 | 150 | 0 | 0 | 0 | 110.8 | L274 L277 C341 P356 L357 Y362 G363 I364 | L274-L360 HydrophobicContact CD1-CD2 4.07Å; L277-L360 HydrophobicContact CD2-CD1 4.39Å; C341-L360 WeakPolarHBondContact SG-CD1 3.17Å; P356-L360 PolarHBondContact O-N 2.92Å; L357-L360 WeakPolarHBondContact O-CB 3.49Å; L357-L360 PolarHBondContact O-N 2.88Å; L360-Y362 VanDerWaalsContact C-N 3.3Å; L360-Y362 PolarHBondContact O-N 3.33Å; L360-G363 PolarHBondContact O-N 2.82Å; L360-G363 VanDerWaalsContact O-N 3.1Å; L360-I364 HydrophobicContact CD2-CD1 3.56Å; L360-I364 HydrophobicContact CD2-CG1 4.44Å; L360-I364 HydrophobicContact CG-CD1 4.39Å; L360-I364 PolarHBondContact O-N 3.46Å |
| 361 | C | 91 | Very high | 91.1 | Very high | 5 Ų | 5 | 20.3 Ų | 20.3 | 3% | 0.034 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.6 | -32.5 | 178.8 | -65 | 0 | 0 | 0 | 0 | 112.8 | P304 H308 L357 A365 | P304-C361 HydrophobicContact CB-CB 4.19Å; H308-C361 HydrophobicContact CB-CB 4.08Å; H308-C361 PolarHBondContact CD2-O 3.48Å; H308-C361 VanDerWaalsContact CD2-O 3.3Å; L357-C361 PolarHBondContact O-N 3.11Å; L357-C361 PolarHBondContact O-SG 2.71Å; L357-C361 VanDerWaalsContact O-SG 3.36Å; C361-A365 WeakPolarHBondContact O-CB 2.99Å; C361-A365 PolarHBondContact O-N 2.64Å |
| 362 | Y | 92.9 | Very high | 91.1 | Very high | 69 Ų | 69 | 16.8 Ų | 16.8 | 27% | 0.271 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -64.9 | -41.8 | 171.5 | -175.6 | -88.1 | 0 | 0 | 0 | 111.4 | P307 L310 S314 L336 A358 I359 L360 A365 L366 | P307-Y362 VanDerWaalsContact O-CD2 3.26Å; P307-Y362 WeakPolarHBondContact O-CD2 3.36Å; L310-Y362 HydrophobicContact CB-CD2 4.48Å; L310-Y362 HydrophobicContact CB-CE2 4.3Å; S314-Y362 PolarHBondContact OG-OH 3.19Å; L336-Y362 HydrophobicContact CD1-CD1 3.89Å; L336-Y362 HydrophobicContact CD1-CE1 4.13Å; A358-Y362 WeakPolarHBondContact O-CB 3.18Å; A358-Y362 PolarHBondContact O-N 3.12Å; I359-Y362 PolarHBondContact O-N 3.03Å; L360-Y362 VanDerWaalsContact C-N 3.3Å; L360-Y362 PolarHBondContact O-N 3.33Å; Y362-A365 PolarHBondContact O-N 2.85Å; Y362-L366 HydrophobicContact CD1-CD1 4.11Å; Y362-L366 HydrophobicContact CD1-CG 4.26Å; Y362-L366 HydrophobicContact CE1-CD1 3.67Å; Y362-L366 HydrophobicContact CE1-CD2 4.19Å; Y362-L366 HydrophobicContact CE1-CG 3.96Å; Y362-L366 WeakPolarHBondContact O-CG 3.5Å; Y362-L366 PolarHBondContact O-N 3.47Å |
| 363 | G | 93.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61 | -52.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I359 L360 A365 L366 V367 | I359-G363 PolarHBondContact O-N 2.82Å; L360-G363 PolarHBondContact O-N 2.82Å; L360-G363 VanDerWaalsContact O-N 3.1Å; G363-A365 VanDerWaalsContact C-N 3.27Å; G363-A365 PolarHBondContact O-N 3.42Å; G363-L366 WeakPolarHBondContact O-CB 3.48Å; G363-L366 PolarHBondContact O-N 2.84Å; G363-V367 PolarHBondContact O-N 2.81Å; G363-V367 VanDerWaalsContact O-N 3.17Å |
| 364 | I | 90.7 | Very high | 90.5 | Very high | 9 Ų | 9 | 16.5 Ų | 16.5 | 5% | 0.046 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -55.9 | -44.7 | 177.5 | -66.2 | 174 | 0 | 0 | 0 | 110.5 | L274 E337 L360 L366 V367 D368 | L274-I364 HydrophobicContact CB-CD1 3.97Å; L274-I364 HydrophobicContact CD2-CD1 4.25Å; E337-I364 VanDerWaalsContact CD-CG1 3.43Å; E337-I364 HydrophobicContact CG-CG1 3.98Å; E337-I364 VanDerWaalsContact OE1-CA 3.28Å; E337-I364 WeakPolarHBondContact OE1-CA 3.43Å; E337-I364 PolarHBondContact OE1-N 2.87Å; L360-I364 HydrophobicContact CD2-CD1 3.56Å; L360-I364 HydrophobicContact CD2-CG1 4.44Å; L360-I364 HydrophobicContact CG-CD1 4.39Å; L360-I364 PolarHBondContact O-N 3.46Å; I364-L366 VanDerWaalsContact C-N 3.28Å; I364-L366 PolarHBondContact O-N 3.31Å; I364-V367 PolarHBondContact O-N 3.45Å; I364-V367 VanDerWaalsContact O-N 3.09Å; I364-D368 PolarHBondContact O-N 2.98Å |
| 365 | A | 89.9 | Confident | 90.2 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.008 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -59.4 | -37.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | H308 V312 C361 Y362 G363 T369 | H308-A365 WeakPolarHBondContact O-CB 3.49Å; V312-A365 HydrophobicContact CG2-CB 4Å; C361-A365 WeakPolarHBondContact O-CB 2.99Å; C361-A365 PolarHBondContact O-N 2.64Å; Y362-A365 PolarHBondContact O-N 2.85Å; G363-A365 VanDerWaalsContact C-N 3.27Å; G363-A365 PolarHBondContact O-N 3.42Å; A365-T369 WeakPolarHBondContact O-CB 3.09Å; A365-T369 PolarHBondContact O-N 3.27Å; A365-T369 VanDerWaalsContact O-N 3.15Å; A365-T369 PolarHBondContact O-OG1 2.92Å |
| 366 | L | 92.7 | Very high | 89.5 | Confident | 7 Ų | 7 | 9.7 Ų | 9.7 | 4% | 0.037 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -65.8 | -42.4 | 175.2 | -67.8 | -176.9 | 0 | 0 | 0 | 111.6 | A315 I329 V332 L336 Y362 G363 I364 A370 | A315-L366 HydrophobicContact CB-CD2 3.89Å; I329-L366 HydrophobicContact CG2-CB 4.09Å; I329-L366 HydrophobicContact CG2-CD2 4.11Å; V332-L366 HydrophobicContact CG1-CD1 4.3Å; L336-L366 HydrophobicContact CD1-CD1 4.18Å; Y362-L366 HydrophobicContact CD1-CD1 4.11Å; Y362-L366 HydrophobicContact CD1-CG 4.26Å; Y362-L366 HydrophobicContact CE1-CD1 3.67Å; Y362-L366 HydrophobicContact CE1-CD2 4.19Å; Y362-L366 HydrophobicContact CE1-CG 3.96Å; Y362-L366 WeakPolarHBondContact O-CG 3.5Å; Y362-L366 PolarHBondContact O-N 3.47Å; G363-L366 WeakPolarHBondContact O-CB 3.48Å; G363-L366 PolarHBondContact O-N 2.84Å; I364-L366 VanDerWaalsContact C-N 3.28Å; I364-L366 PolarHBondContact O-N 3.31Å; L366-A370 WeakPolarHBondContact O-CB 3.09Å; L366-A370 PolarHBondContact O-N 3.11Å; L366-A370 VanDerWaalsContact O-N 3.15Å |
| 367 | V | 93 | Very high | 88.9 | Confident | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -65.3 | -55.9 | -179.2 | -178.8 | 0 | 0 | 0 | 0 | 110.7 | L267 A270 L334 E337 G363 I364 T369 A370 L371 | L267-V367 HydrophobicContact CD2-CG1 4.46Å; A270-V367 HydrophobicContact CB-CB 4.27Å; A270-V367 HydrophobicContact CB-CG1 3.99Å; A270-V367 HydrophobicContact CB-CG2 4.3Å; L334-V367 HydrophobicContact CD2-CG2 4.34Å; L334-V367 HydrophobicContact CG-CG2 4.07Å; E337-V367 WeakPolarHBondContact OE1-CG2 2.91Å; G363-V367 PolarHBondContact O-N 2.81Å; G363-V367 VanDerWaalsContact O-N 3.17Å; I364-V367 PolarHBondContact O-N 3.45Å; I364-V367 VanDerWaalsContact O-N 3.09Å; V367-T369 PolarHBondContact O-N 3.39Å; V367-A370 PolarHBondContact O-N 3.44Å; V367-L371 HydrophobicContact CG1-CD1 3.67Å; V367-L371 HydrophobicContact CG1-CG 4.34Å; V367-L371 WeakPolarHBondContact O-CG 3.41Å; V367-L371 PolarHBondContact O-N 2.9Å |
| 368 | D | 89.5 | Confident | 88.4 | Confident | 12 Ų | 12 | 10.3 Ų | 10.3 | 6% | 0.064 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -61.3 | -46 | -176.3 | -76.6 | -27.7 | 0 | 0 | 0 | 111.3 | L188 L267 I364 A370 L371 L372 Y398 | L188-D368 HydrophobicContact CD1-CB 4.28Å; L188-D368 HydrophobicContact CD2-CB 4.22Å; L267-D368 VanDerWaalsContact CD2-OD1 3.22Å; L267-D368 WeakPolarHBondContact CD2-OD1 3.38Å; I364-D368 PolarHBondContact O-N 2.98Å; D368-A370 VanDerWaalsContact C-N 3.26Å; D368-A370 PolarHBondContact O-N 3.23Å; D368-L371 PolarHBondContact O-N 3.47Å; D368-L372 HydrophobicContact CB-CD1 4.14Å; D368-L372 WeakPolarHBondContact O-CB 3.5Å; D368-L372 WeakPolarHBondContact O-CD1 3.05Å; D368-L372 VanDerWaalsContact O-CG 3.25Å; D368-L372 WeakPolarHBondContact O-CG 3.3Å; D368-L372 PolarHBondContact O-N 3.05Å; D368-L372 VanDerWaalsContact O-N 3.11Å; D368-Y398 VanDerWaalsContact CG-OH 3.25Å; D368-Y398 PolarHBondContact OD1-OH 3.24Å |
| 369 | T | 87.5 | Confident | 87.7 | Confident | 3 Ų | 3 | 9.5 Ų | 9.5 | 2% | 0.018 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -65.2 | -32.2 | -178.5 | -54.1 | 0 | 0 | 0 | 0 | 111.7 | V312 A315 V316 M319 A365 V367 P373 | V312-T369 HydrophobicContact CG1-CG2 4.33Å; A315-T369 HydrophobicContact CB-CG2 3.6Å; V316-T369 HydrophobicContact CG2-CG2 3.62Å; M319-T369 HydrophobicContact CE-CG2 3.82Å; M319-T369 WeakPolarHBondContact CE-O 3.36Å; A365-T369 WeakPolarHBondContact O-CB 3.09Å; A365-T369 PolarHBondContact O-N 3.27Å; A365-T369 VanDerWaalsContact O-N 3.15Å; A365-T369 PolarHBondContact O-OG1 2.92Å; V367-T369 PolarHBondContact O-N 3.39Å; T369-P373 WeakPolarHBondContact O-CD 3.31Å; T369-P373 WeakPolarHBondContact O-CG 3.32Å |
| 370 | A | 89.9 | Confident | 86.6 | Confident | 1 Ų | 1 | 8 Ų | 8 | 1% | 0.008 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -80.2 | -41 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | M319 P326 I329 A330 L366 V367 D368 | M319-A370 HydrophobicContact SD-CB 4.33Å; P326-A370 HydrophobicContact CB-CB 4.42Å; I329-A370 HydrophobicContact CB-CB 4.24Å; I329-A370 HydrophobicContact CG2-CB 4.11Å; A330-A370 HydrophobicContact CB-CB 4.27Å; L366-A370 WeakPolarHBondContact O-CB 3.09Å; L366-A370 PolarHBondContact O-N 3.11Å; L366-A370 VanDerWaalsContact O-N 3.15Å; V367-A370 PolarHBondContact O-N 3.44Å; D368-A370 VanDerWaalsContact C-N 3.26Å; D368-A370 PolarHBondContact O-N 3.23Å |
| 371 | L | 90.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -88.1 | -32.7 | -170.8 | -63 | -177.3 | 0 | 0 | 0 | 113.9 | A266 L267 A330 V367 D368 L374 L375 L436 I439 | A266-L371 HydrophobicContact CB-CD1 3.56Å; L267-L371 HydrophobicContact CD2-CB 4.29Å; L267-L371 HydrophobicContact CD2-CD1 4.33Å; L267-L371 HydrophobicContact CG-CD1 4.29Å; A330-L371 HydrophobicContact CB-CD1 4.23Å; A330-L371 HydrophobicContact CB-CD2 3.85Å; A330-L371 HydrophobicContact CB-CG 3.91Å; V367-L371 HydrophobicContact CG1-CD1 3.67Å; V367-L371 HydrophobicContact CG1-CG 4.34Å; V367-L371 WeakPolarHBondContact O-CG 3.41Å; V367-L371 PolarHBondContact O-N 2.9Å; D368-L371 PolarHBondContact O-N 3.47Å; L371-L374 HydrophobicContact CD2-CD2 4.17Å; L371-L374 WeakPolarHBondContact O-CB 3.31Å; L371-L374 PolarHBondContact O-N 3.01Å; L371-L375 PolarHBondContact O-N 3.05Å; L371-L436 HydrophobicContact CD1-CD2 4.38Å; L371-L436 HydrophobicContact CD2-CD2 4.24Å; L371-I439 HydrophobicContact CD2-CD1 4.49Å |
| 372 | L | 85.5 | Confident | 84.6 | Confident | 3 Ų | 3 | 16.6 Ų | 16.6 | 2% | 0.016 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64.3 | -44 | -176.9 | -69.6 | 168.7 | 0 | 0 | 0 | 113.9 | L188 L267 D368 L374 Y391 V394 | L188-L372 HydrophobicContact CD1-CD1 3.72Å; L188-L372 HydrophobicContact CD2-CD1 3.58Å; L188-L372 HydrophobicContact CG-CD1 4.1Å; L267-L372 HydrophobicContact CD1-CD2 4.38Å; D368-L372 HydrophobicContact CB-CD1 4.14Å; D368-L372 WeakPolarHBondContact O-CB 3.5Å; D368-L372 WeakPolarHBondContact O-CD1 3.05Å; D368-L372 VanDerWaalsContact O-CG 3.25Å; D368-L372 WeakPolarHBondContact O-CG 3.3Å; D368-L372 PolarHBondContact O-N 3.05Å; D368-L372 VanDerWaalsContact O-N 3.11Å; L372-L374 VanDerWaalsContact C-N 3.31Å; L372-Y391 HydrophobicContact CD2-CE1 4.35Å; L372-Y391 PolarHBondContact O-OH 2.92Å; L372-V394 HydrophobicContact CD2-CB 4.05Å; L372-V394 HydrophobicContact CD2-CG1 3.33Å; L372-V394 HydrophobicContact CD2-CG2 3.52Å |
| 373 | P | 80.9 | Confident | 83.8 | Confident | 8 Ų | 8 | 15.9 Ų | 15.9 | 5% | 0.052 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -69.3 | -31.7 | 174 | -19.5 | 34.4 | 0 | 0 | 0 | 112.4 | R180 M184 T369 G376 Y377 | R180-P373 PolarHBondContact NH2-O 3.36Å; M184-P373 HydrophobicContact SD-CG 4.48Å; T369-P373 WeakPolarHBondContact O-CD 3.31Å; T369-P373 WeakPolarHBondContact O-CG 3.32Å; P373-G376 PolarHBondContact O-N 2.88Å; P373-Y377 PolarHBondContact O-N 3.46Å; P373-Y377 VanDerWaalsContact O-N 3.08Å |
| 374 | L | 85.4 | Confident | 82.3 | Confident | 3 Ų | 3 | 18 Ų | 18 | 2% | 0.016 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -67.3 | -37.9 | 179.1 | -179 | 62.1 | 0 | 0 | 0 | 112 | P326 L371 L372 G376 Y377 L378 I439 V442 Y443 | P326-L374 HydrophobicContact CB-CD2 4.19Å; L371-L374 HydrophobicContact CD2-CD2 4.17Å; L371-L374 WeakPolarHBondContact O-CB 3.31Å; L371-L374 PolarHBondContact O-N 3.01Å; L372-L374 VanDerWaalsContact C-N 3.31Å; L374-G376 VanDerWaalsContact C-N 3.35Å; L374-G376 PolarHBondContact O-N 2.9Å; L374-Y377 HydrophobicContact CD1-CD1 4.34Å; L374-Y377 WeakPolarHBondContact O-CB 3.48Å; L374-Y377 PolarHBondContact O-N 3.31Å; L374-Y377 VanDerWaalsContact O-N 3.14Å; L374-L378 HydrophobicContact CG-CD1 4.4Å; L374-L378 WeakPolarHBondContact O-CG 3.42Å; L374-L378 PolarHBondContact O-N 2.7Å; L374-I439 HydrophobicContact CD2-CG2 3.66Å; L374-I439 HydrophobicContact CG-CG2 4.47Å; L374-V442 HydrophobicContact CD1-CG1 4.11Å; L374-Y443 HydrophobicContact CD1-CE2 3.75Å; L374-Y443 WeakPolarHBondContact CD1-OH 3.38Å |
| 375 | L | 85.1 | Confident | 81.2 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.1 | -43.7 | 173 | -83.7 | 168.3 | 0 | 0 | 0 | 112 | I260 C263 L267 L371 Y377 L378 V379 V390 V394 | I260-L375 HydrophobicContact CB-CD2 4.28Å; I260-L375 HydrophobicContact CG1-CD2 4.29Å; I260-L375 HydrophobicContact CG2-CD2 3.88Å; C263-L375 HydrophobicContact CB-CD1 4.21Å; C263-L375 HydrophobicContact CB-CD2 3.69Å; C263-L375 HydrophobicContact CB-CG 3.85Å; L267-L375 HydrophobicContact CD1-CD1 3.88Å; L371-L375 PolarHBondContact O-N 3.05Å; L375-Y377 VanDerWaalsContact C-N 3.31Å; L375-Y377 PolarHBondContact O-N 3.24Å; L375-L378 PolarHBondContact O-N 3.4Å; L375-V379 PolarHBondContact O-N 3.08Å; L375-V390 HydrophobicContact CB-CG1 3.89Å; L375-V394 HydrophobicContact CD1-CG2 3.48Å; L375-V394 VanDerWaalsContact CD1-CG2 3.48Å |
| 376 | G | 77.2 | Confident | 80.3 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.8 | -42.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | R180 P373 L374 V379 D380 | R180-G376 VanDerWaalsContact NH2-C 3.33Å; P373-G376 PolarHBondContact O-N 2.88Å; L374-G376 VanDerWaalsContact C-N 3.35Å; L374-G376 PolarHBondContact O-N 2.9Å; G376-V379 PolarHBondContact O-N 3.32Å; G376-D380 PolarHBondContact O-N 2.7Å; G376-D380 VanDerWaalsContact O-OD2 3.1Å |
| 377 | Y | 79.8 | Confident | 79.1 | Confident | 17 Ų | 17 | 22 Ų | 22 | 7% | 0.067 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.1 | -41.2 | 177.9 | 176.3 | -92.5 | 0 | 0 | 0 | 112.7 | P373 L374 L375 V379 D380 T381 V442 Y443 | P373-Y377 PolarHBondContact O-N 3.46Å; P373-Y377 VanDerWaalsContact O-N 3.08Å; L374-Y377 HydrophobicContact CD1-CD1 4.34Å; L374-Y377 WeakPolarHBondContact O-CB 3.48Å; L374-Y377 PolarHBondContact O-N 3.31Å; L374-Y377 VanDerWaalsContact O-N 3.14Å; L375-Y377 VanDerWaalsContact C-N 3.31Å; L375-Y377 PolarHBondContact O-N 3.24Å; Y377-V379 VanDerWaalsContact C-N 3.26Å; Y377-V379 PolarHBondContact O-N 3.26Å; Y377-D380 PolarHBondContact O-N 3.03Å; Y377-T381 HydrophobicContact CD1-CG2 4.25Å; Y377-T381 HydrophobicContact CD2-CG2 4.32Å; Y377-T381 HydrophobicContact CE1-CG2 3.78Å; Y377-T381 HydrophobicContact CE2-CG2 3.87Å; Y377-T381 HydrophobicContact CG-CG2 4.49Å; Y377-T381 WeakPolarHBondContact O-CB 3.37Å; Y377-T381 WeakPolarHBondContact O-CG2 2.97Å; Y377-T381 PolarHBondContact O-N 3.08Å; Y377-T381 PolarHBondContact O-OG1 3.4Å; Y377-V442 HydrophobicContact CD1-CG1 3.95Å; Y377-V442 HydrophobicContact CE1-CG1 3.77Å; Y377-Y443 HydrophobicContact CD1-CE1 4.15Å; Y377-Y443 HydrophobicContact CD2-CE1 4.49Å; Y377-Y443 HydrophobicContact CE1-CD1 4.11Å; Y377-Y443 AromaticContact CE1-CE1 3.85Å; Y377-Y443 HydrophobicContact CE1-CE1 3.85Å; Y377-Y443 HydrophobicContact CE2-CE1 4.21Å; Y377-Y443 HydrophobicContact CG-CE1 4.46Å; Y377-Y443 AromaticContact CZ-CE1 3.87Å |
| 378 | L | 81 | Confident | 78 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.8 | -39.7 | 177.4 | -81 | 170.3 | 0 | 0 | 0 | 111.7 | Y259 I260 L374 L375 T381 R382 V442 | Y259-L378 HydrophobicContact CG-CD2 4.3Å; I260-L378 HydrophobicContact CG1-CB 4.29Å; I260-L378 HydrophobicContact CG1-CD1 4.3Å; L374-L378 HydrophobicContact CG-CD1 4.4Å; L374-L378 WeakPolarHBondContact O-CG 3.42Å; L374-L378 PolarHBondContact O-N 2.7Å; L375-L378 PolarHBondContact O-N 3.4Å; L378-T381 WeakPolarHBondContact CA-OG1 3.43Å; L378-T381 PolarHBondContact O-N 3.1Å; L378-T381 PolarHBondContact O-OG1 3.09Å; L378-T381 VanDerWaalsContact O-OG1 3.1Å; L378-R382 VanDerWaalsContact O-CB 3.29Å; L378-R382 WeakPolarHBondContact O-CB 3.48Å; L378-R382 WeakPolarHBondContact O-CG 3.25Å; L378-R382 PolarHBondContact O-N 3.33Å; L378-V442 HydrophobicContact CD2-CB 4.33Å; L378-V442 HydrophobicContact CD2-CG1 3.54Å; L378-V442 HydrophobicContact CD2-CG2 3.75Å; L378-V442 HydrophobicContact CG-CG1 4.25Å |
| 379 | V | 78 | Confident | 77.4 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -74.2 | -39.7 | 179 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | L254 I260 L375 G376 Y377 T381 H383 A384 V390 | L254-V379 HydrophobicContact CD2-CG2 4.2Å; I260-V379 HydrophobicContact CD1-CG2 3.78Å; L375-V379 PolarHBondContact O-N 3.08Å; G376-V379 PolarHBondContact O-N 3.32Å; Y377-V379 VanDerWaalsContact C-N 3.26Å; Y377-V379 PolarHBondContact O-N 3.26Å; V379-T381 PolarHBondContact O-N 3.15Å; V379-T381 VanDerWaalsContact O-N 3.17Å; V379-H383 HydrophobicContact CG1-CB 4.24Å; V379-H383 CarbonylContact O-C 3.59Å; V379-H383 WeakPolarHBondContact O-CA 3.48Å; V379-H383 PolarHBondContact O-N 3.4Å; V379-A384 VanDerWaalsContact CG1-O 3.29Å; V379-A384 WeakPolarHBondContact CG1-O 3.17Å; V379-V390 HydrophobicContact CB-CG2 3.69Å; V379-V390 HydrophobicContact CG1-CG2 3.72Å; V379-V390 HydrophobicContact CG2-CB 4.21Å; V379-V390 HydrophobicContact CG2-CG1 4.16Å; V379-V390 HydrophobicContact CG2-CG2 3.02Å |
| 380 | D | 71.7 | Confident | 77.1 | Confident | 30 Ų | 30 | 21.5 Ų | 21.5 | 16% | 0.16 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.9 | -16.2 | 173.9 | -69.6 | -30 | 0 | 0 | 0 | 114.6 | R180 G376 Y377 S385 Y387 | R180-D380 IonicContact CZ-OD2 3.03Å; R180-D380 IonicContact NH1-OD2 2.87Å; R180-D380 PolarHBondContact NH1-OD2 2.97Å; G376-D380 PolarHBondContact O-N 2.7Å; G376-D380 VanDerWaalsContact O-OD2 3.1Å; Y377-D380 PolarHBondContact O-N 3.03Å; D380-S385 WeakPolarHBondContact OD1-CB 3.31Å; D380-S385 PolarHBondContact OD1-OG 3.46Å; D380-Y387 WeakPolarHBondContact OD1-CE1 2.96Å; D380-Y387 PolarHBondContact OD1-OH 3.32Å; D380-Y387 PolarHBondContact OD2-OH 3.04Å |
| 381 | T | 71.3 | Confident | 76.6 | Confident | 62 Ų | 62 | 21.5 Ų | 21.5 | 38% | 0.38 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -107 | -28 | -178.7 | 49.6 | 0 | 0 | 0 | 0 | 113.6 | Y377 L378 V379 | Y377-T381 HydrophobicContact CD1-CG2 4.25Å; Y377-T381 HydrophobicContact CD2-CG2 4.32Å; Y377-T381 HydrophobicContact CE1-CG2 3.78Å; Y377-T381 HydrophobicContact CE2-CG2 3.87Å; Y377-T381 HydrophobicContact CG-CG2 4.49Å; Y377-T381 WeakPolarHBondContact O-CB 3.37Å; Y377-T381 WeakPolarHBondContact O-CG2 2.97Å; Y377-T381 PolarHBondContact O-N 3.08Å; Y377-T381 PolarHBondContact O-OG1 3.4Å; L378-T381 WeakPolarHBondContact CA-OG1 3.43Å; L378-T381 PolarHBondContact O-N 3.1Å; L378-T381 PolarHBondContact O-OG1 3.09Å; L378-T381 VanDerWaalsContact O-OG1 3.1Å; V379-T381 PolarHBondContact O-N 3.15Å; V379-T381 VanDerWaalsContact O-N 3.17Å |
| 382 | R | 71.8 | Confident | 76.1 | Confident | 123 Ų | 123 | 21.6 Ų | 21.6 | 46% | 0.464 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -118.4 | -19 | -171.4 | -58.6 | 174.8 | 66 | 83.5 | 4 | 114.2 | D257 L378 | D257-R382 IonicContact OD1-NE 2.81Å; D257-R382 IonicContact OD2-CZ 3.11Å; D257-R382 IonicContact OD2-NE 3.25Å; D257-R382 PolarHBondContact OD2-NE 2.95Å; D257-R382 IonicContact OD2-NH2 2.9Å; L378-R382 VanDerWaalsContact O-CB 3.29Å; L378-R382 WeakPolarHBondContact O-CB 3.48Å; L378-R382 WeakPolarHBondContact O-CG 3.25Å; L378-R382 PolarHBondContact O-N 3.33Å |
| 383 | H | 74.3 | Confident | 76 | Confident | 55 Ų | 55 | 21.5 Ų | 21.5 | 26% | 0.255 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -133.9 | 177.7 | -175 | -61.8 | -78.3 | 0 | 0 | 0 | 110.3 | P249 L254 D257 V379 | P249-H383 HydrophobicContact CG-CB 4.44Å; L254-H383 HydrophobicContact CD2-CB 3.93Å; D257-H383 IonicContact OD2-CE1 3.88Å; D257-H383 IonicContact OD2-NE2 3.96Å; D257-H383 PolarHBondContact OD2-NE2 3.27Å; V379-H383 HydrophobicContact CG1-CB 4.24Å; V379-H383 CarbonylContact O-C 3.59Å; V379-H383 WeakPolarHBondContact O-CA 3.48Å; V379-H383 PolarHBondContact O-N 3.4Å |
| 384 | A | 63.9 | Low | 76.2 | Confident | 43 Ų | 43 | 21.1 Ų | 21.1 | 36% | 0.355 | 11% | 0.114 | S | C | . | . | trans | -67.1 | 145.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | V379 V386 | V379-A384 VanDerWaalsContact CG1-O 3.29Å; V379-A384 WeakPolarHBondContact CG1-O 3.17Å; A384-V386 WeakPolarHBondContact O-CG2 3.48Å; A384-V386 PolarHBondContact O-N 3.1Å | ||
| 385 | S | 66.9 | Low | 75.9 | Confident | 73 Ų | 73 | 22.5 Ų | 22.5 | 51% | 0.51 | 12% | 0.122 | S | C | . | . | trans | -67.5 | 66.3 | -179 | -63.6 | 0 | 0 | 0 | 0 | 113.2 | D380 Y387 | D380-S385 WeakPolarHBondContact OD1-CB 3.31Å; D380-S385 PolarHBondContact OD1-OG 3.46Å; S385-Y387 PolarHBondContact O-N 3.44Å | ||
| 386 | V | 69.8 | Low | 75.9 | Confident | 10 Ų | 10 | 23.8 Ų | 23.8 | 6% | 0.061 | 13% | 0.129 | C | C | . | . | trans | -94.7 | 82.1 | 173.5 | -102.7 | 0 | 0 | 0 | 0 | 109.7 | D124 P249 A384 G388 V390 | D124-V386 HydrophobicContact CB-CG1 3.86Å; D124-V386 WeakPolarHBondContact OD2-CB 3.18Å; D124-V386 WeakPolarHBondContact OD2-CG1 3.42Å; P249-V386 HydrophobicContact CG-CG2 4.34Å; A384-V386 WeakPolarHBondContact O-CG2 3.48Å; A384-V386 PolarHBondContact O-N 3.1Å; V386-G388 VanDerWaalsContact C-N 3.33Å; V386-G388 PolarHBondContact O-N 2.79Å; V386-V390 WeakPolarHBondContact O-CG2 3.32Å; V386-V390 PolarHBondContact O-N 3.09Å | ||
| 387 | Y | 69.5 | Low | 76.4 | Confident | 18 Ų | 18 | 24.1 Ų | 24.1 | 7% | 0.071 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.5 | -31.8 | 179.8 | -60.2 | -65.9 | 0 | 0 | 0 | 112.8 | A171 D380 S385 V390 Y391 | A171-Y387 HydrophobicContact CB-CD1 4.3Å; A171-Y387 HydrophobicContact CB-CG 4.23Å; D380-Y387 WeakPolarHBondContact OD1-CE1 2.96Å; D380-Y387 PolarHBondContact OD1-OH 3.32Å; D380-Y387 PolarHBondContact OD2-OH 3.04Å; S385-Y387 PolarHBondContact O-N 3.44Å; Y387-V390 PolarHBondContact O-N 3.47Å; Y387-Y391 HydrophobicContact CD1-CE2 4.42Å; Y387-Y391 VanDerWaalsContact O-CD2 3.26Å; Y387-Y391 WeakPolarHBondContact O-CD2 3.26Å; Y387-Y391 PolarHBondContact O-N 3.18Å; Y387-Y391 VanDerWaalsContact O-N 3.07Å |
| 388 | G | 68.8 | Low | 76.6 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.5 | -50.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D124 V386 V390 A392 | D124-G388 VanDerWaalsContact OD1-CA 3.26Å; D124-G388 WeakPolarHBondContact OD1-CA 2.93Å; D124-G388 PolarHBondContact OD1-N 3.24Å; V386-G388 VanDerWaalsContact C-N 3.33Å; V386-G388 PolarHBondContact O-N 2.79Å; G388-V390 VanDerWaalsContact C-N 3.32Å; G388-V390 PolarHBondContact O-N 3.23Å; G388-A392 WeakPolarHBondContact O-CB 3.34Å; G388-A392 PolarHBondContact O-N 3.31Å |
| 389 | S | 77.6 | Confident | 76.8 | Confident | 4 Ų | 4 | 25.1 Ų | 25.1 | 3% | 0.028 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.6 | -30.5 | 178.4 | -65.3 | 0 | 0 | 0 | 0 | 114.3 | D124 I393 | D124-S389 WeakPolarHBondContact OD2-CB 3.45Å; D124-S389 PolarHBondContact OD2-N 3.4Å; D124-S389 PolarHBondContact OD2-OG 2.96Å; S389-I393 WeakPolarHBondContact O-CG1 3.39Å; S389-I393 PolarHBondContact O-N 3.39Å |
| 390 | V | 81.5 | Confident | 77.2 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -76.7 | -46 | -179.3 | 172.4 | 0 | 0 | 0 | 0 | 112.4 | L254 L375 V379 V386 Y387 G388 A392 I393 V394 | L254-V390 HydrophobicContact CD1-CG2 4.07Å; L375-V390 HydrophobicContact CB-CG1 3.89Å; V379-V390 HydrophobicContact CB-CG2 3.69Å; V379-V390 HydrophobicContact CG1-CG2 3.72Å; V379-V390 HydrophobicContact CG2-CB 4.21Å; V379-V390 HydrophobicContact CG2-CG1 4.16Å; V379-V390 HydrophobicContact CG2-CG2 3.02Å; V386-V390 WeakPolarHBondContact O-CG2 3.32Å; V386-V390 PolarHBondContact O-N 3.09Å; Y387-V390 PolarHBondContact O-N 3.47Å; G388-V390 VanDerWaalsContact C-N 3.32Å; G388-V390 PolarHBondContact O-N 3.23Å; V390-A392 PolarHBondContact O-N 2.85Å; V390-I393 WeakPolarHBondContact O-CB 3.3Å; V390-I393 PolarHBondContact O-N 3.19Å; V390-V394 PolarHBondContact O-N 3.01Å |
| 391 | Y | 78.2 | Confident | 77.9 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 0% | 0.004 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -72.8 | -22.4 | 176.6 | -70.3 | -71 | 0 | 0 | 0 | 111.3 | A171 M184 L372 Y387 I393 V394 D395 | A171-Y391 HydrophobicContact CB-CD2 3.66Å; A171-Y391 HydrophobicContact CB-CE2 3.16Å; M184-Y391 HydrophobicContact CE-CE1 3.73Å; M184-Y391 HydrophobicContact CE-CE2 3.86Å; M184-Y391 WeakPolarHBondContact CE-OH 3.43Å; M184-Y391 HydrophobicContact SD-CE1 4.33Å; L372-Y391 HydrophobicContact CD2-CE1 4.35Å; L372-Y391 PolarHBondContact O-OH 2.92Å; Y387-Y391 HydrophobicContact CD1-CE2 4.42Å; Y387-Y391 VanDerWaalsContact O-CD2 3.26Å; Y387-Y391 WeakPolarHBondContact O-CD2 3.26Å; Y387-Y391 PolarHBondContact O-N 3.18Å; Y387-Y391 VanDerWaalsContact O-N 3.07Å; Y391-I393 VanDerWaalsContact C-N 3.28Å; Y391-I393 PolarHBondContact O-N 3.32Å; Y391-V394 HydrophobicContact CD1-CB 4.46Å; Y391-V394 HydrophobicContact CD1-CG2 4.02Å; Y391-V394 WeakPolarHBondContact O-CB 3.41Å; Y391-V394 PolarHBondContact O-N 3.16Å; Y391-D395 PolarHBondContact O-N 2.69Å |
| 392 | A | 79.6 | Confident | 78.5 | Confident | 2 Ų | 2 | 25.5 Ų | 25.5 | 2% | 0.017 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.4 | -35 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V251 G388 V390 D395 I396 | V251-A392 HydrophobicContact CG2-CB 4.48Å; G388-A392 WeakPolarHBondContact O-CB 3.34Å; G388-A392 PolarHBondContact O-N 3.31Å; V390-A392 PolarHBondContact O-N 2.85Å; A392-D395 PolarHBondContact O-N 3.41Å; A392-I396 WeakPolarHBondContact O-CB 3.36Å; A392-I396 WeakPolarHBondContact O-CD1 3.48Å; A392-I396 WeakPolarHBondContact O-CG1 3.41Å; A392-I396 PolarHBondContact O-N 3.04Å |
| 393 | I | 84.3 | Confident | 79 | Confident | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.3 | -40.5 | 174 | -64.5 | 167.5 | 0 | 0 | 0 | 110.7 | V251 L254 L255 I260 A264 S389 V390 Y391 D395 I396 S397 | V251-I393 HydrophobicContact CG1-CD1 4.37Å; V251-I393 HydrophobicContact CG1-CG1 3.73Å; L254-I393 HydrophobicContact CB-CD1 3.61Å; L255-I393 HydrophobicContact CD1-CG1 4.34Å; L255-I393 HydrophobicContact CD2-CG2 4.09Å; L255-I393 HydrophobicContact CG-CD1 4.06Å; L255-I393 HydrophobicContact CG-CG1 4.11Å; L255-I393 HydrophobicContact CG-CG2 4.13Å; I260-I393 HydrophobicContact CG2-CD1 3.97Å; A264-I393 HydrophobicContact CB-CG2 3.74Å; S389-I393 WeakPolarHBondContact O-CG1 3.39Å; S389-I393 PolarHBondContact O-N 3.39Å; V390-I393 WeakPolarHBondContact O-CB 3.3Å; V390-I393 PolarHBondContact O-N 3.19Å; Y391-I393 VanDerWaalsContact C-N 3.28Å; Y391-I393 PolarHBondContact O-N 3.32Å; I393-D395 VanDerWaalsContact C-N 3.34Å; I393-I396 WeakPolarHBondContact O-CB 3.35Å; I393-I396 PolarHBondContact O-N 3.22Å; I393-S397 PolarHBondContact O-N 3.36Å; I393-S397 PolarHBondContact O-OG 3Å |
| 394 | V | 85.1 | Confident | 79.5 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -57.9 | -49.1 | 174 | 169.9 | 0 | 0 | 0 | 0 | 110.6 | L267 L372 L375 V390 Y391 I396 S397 Y398 | L267-V394 HydrophobicContact CD1-CG1 4.39Å; L267-V394 HydrophobicContact CD1-CG2 4.09Å; L372-V394 HydrophobicContact CD2-CB 4.05Å; L372-V394 HydrophobicContact CD2-CG1 3.33Å; L372-V394 HydrophobicContact CD2-CG2 3.52Å; L375-V394 HydrophobicContact CD1-CG2 3.48Å; L375-V394 VanDerWaalsContact CD1-CG2 3.48Å; V390-V394 PolarHBondContact O-N 3.01Å; Y391-V394 HydrophobicContact CD1-CB 4.46Å; Y391-V394 HydrophobicContact CD1-CG2 4.02Å; Y391-V394 WeakPolarHBondContact O-CB 3.41Å; Y391-V394 PolarHBondContact O-N 3.16Å; V394-I396 VanDerWaalsContact C-N 3.3Å; V394-I396 PolarHBondContact O-N 2.73Å; V394-S397 VanDerWaalsContact O-CB 3.31Å; V394-S397 WeakPolarHBondContact O-CB 3.25Å; V394-S397 PolarHBondContact O-N 2.85Å; V394-Y398 HydrophobicContact CG1-CD2 3.86Å; V394-Y398 HydrophobicContact CG1-CE2 3.31Å; V394-Y398 PolarHBondContact O-N 3.15Å |
| 395 | D | 79.4 | Confident | 80.3 | Confident | 32 Ų | 32 | 19 Ų | 19 | 17% | 0.171 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.7 | -35.6 | -179.3 | -63.7 | -27.3 | 0 | 0 | 0 | 111.4 | N116 Y391 A392 I393 S399 | N116-D395 VanDerWaalsContact ND2-CB 3.26Å; N116-D395 WeakPolarHBondContact ND2-CB 3.26Å; Y391-D395 PolarHBondContact O-N 2.69Å; A392-D395 PolarHBondContact O-N 3.41Å; I393-D395 VanDerWaalsContact C-N 3.34Å; D395-S399 WeakPolarHBondContact O-CB 3.37Å; D395-S399 PolarHBondContact O-N 3.03Å; D395-S399 PolarHBondContact O-OG 2.85Å |
| 396 | I | 83.9 | Confident | 80.8 | Confident | 28 Ų | 28 | 15.9 Ų | 15.9 | 14% | 0.144 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -61.5 | -43.6 | 170.7 | -69.9 | 162.2 | 0 | 0 | 0 | 110.8 | L113 N116 P117 V251 A392 I393 V394 S399 L400 | L113-I396 HydrophobicContact CD1-CG2 3.99Å; N116-I396 HydrophobicContact CB-CD1 4.18Å; N116-I396 HydrophobicContact CB-CG1 3.6Å; P117-I396 HydrophobicContact CG-CD1 3.83Å; V251-I396 HydrophobicContact CG1-CD1 4.11Å; A392-I396 WeakPolarHBondContact O-CB 3.36Å; A392-I396 WeakPolarHBondContact O-CD1 3.48Å; A392-I396 WeakPolarHBondContact O-CG1 3.41Å; A392-I396 PolarHBondContact O-N 3.04Å; I393-I396 WeakPolarHBondContact O-CB 3.35Å; I393-I396 PolarHBondContact O-N 3.22Å; V394-I396 VanDerWaalsContact C-N 3.3Å; V394-I396 PolarHBondContact O-N 2.73Å; I396-S399 PolarHBondContact O-N 3.5Å; I396-L400 WeakPolarHBondContact O-CB 3.49Å; I396-L400 PolarHBondContact O-N 3.29Å |
| 397 | S | 88.6 | Confident | 81.2 | Confident | 6 Ų | 6 | 19.3 Ų | 19.3 | 4% | 0.042 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.9 | -47.9 | 177.9 | -77.1 | 0 | 0 | 0 | 0 | 112 | A264 V268 I393 V394 L400 A401 | A264-S397 WeakPolarHBondContact CA-OG 3.34Å; A264-S397 WeakPolarHBondContact CB-OG 3.46Å; A264-S397 WeakPolarHBondContact O-CB 3.31Å; A264-S397 PolarHBondContact O-OG 2.9Å; V268-S397 WeakPolarHBondContact CG2-O 3.44Å; I393-S397 PolarHBondContact O-N 3.36Å; I393-S397 PolarHBondContact O-OG 3Å; V394-S397 VanDerWaalsContact O-CB 3.31Å; V394-S397 WeakPolarHBondContact O-CB 3.25Å; V394-S397 PolarHBondContact O-N 2.85Å; S397-L400 PolarHBondContact O-N 3.27Å; S397-A401 PolarHBondContact O-N 3.31Å |
| 398 | Y | 84.1 | Confident | 81.9 | Confident | 34 Ų | 34 | 21.3 Ų | 21.3 | 13% | 0.133 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.7 | -46.1 | 175.9 | -62.5 | -36.7 | 0 | 0 | 0 | 111.4 | L267 N271 D368 V394 L400 A401 Y402 | L267-Y398 HydrophobicContact CB-CE1 4.29Å; L267-Y398 HydrophobicContact CD2-CE1 4.15Å; N271-Y398 HydrophobicContact CB-CD1 4.33Å; N271-Y398 WeakPolarHBondContact ND2-CD1 3.24Å; N271-Y398 WeakPolarHBondContact ND2-CE1 3.12Å; D368-Y398 VanDerWaalsContact CG-OH 3.25Å; D368-Y398 PolarHBondContact OD1-OH 3.24Å; V394-Y398 HydrophobicContact CG1-CD2 3.86Å; V394-Y398 HydrophobicContact CG1-CE2 3.31Å; V394-Y398 PolarHBondContact O-N 3.15Å; Y398-L400 VanDerWaalsContact C-N 3.28Å; Y398-L400 PolarHBondContact O-N 3.05Å; Y398-A401 PolarHBondContact O-N 3.11Å; Y398-Y402 WeakPolarHBondContact O-CD2 3.43Å; Y398-Y402 PolarHBondContact O-N 2.97Å; Y398-Y402 VanDerWaalsContact O-N 3.11Å |
| 399 | S | 83.8 | Confident | 82.4 | Confident | 5 Ų | 5 | 21.2 Ų | 21.2 | 4% | 0.035 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.3 | -37.5 | 179.6 | -60.6 | 0 | 0 | 0 | 0 | 112.3 | A109 Q112 D395 I396 A401 Y402 A403 | A109-S399 WeakPolarHBondContact CB-O 3.2Å; A109-S399 WeakPolarHBondContact O-CB 3.44Å; Q112-S399 WeakPolarHBondContact CB-OG 3.41Å; D395-S399 WeakPolarHBondContact O-CB 3.37Å; D395-S399 PolarHBondContact O-N 3.03Å; D395-S399 PolarHBondContact O-OG 2.85Å; I396-S399 PolarHBondContact O-N 3.5Å; S399-A401 PolarHBondContact O-N 3.05Å; S399-Y402 PolarHBondContact O-N 3.3Å; S399-A403 WeakPolarHBondContact O-CB 3.42Å; S399-A403 PolarHBondContact O-N 3.07Å |
| 400 | L | 87.6 | Confident | 82.1 | Confident | 64 Ų | 64 | 22.3 Ų | 22.3 | 34% | 0.335 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -63.2 | -43.9 | 178.1 | -173.2 | 64.8 | 0 | 0 | 0 | 111.6 | L113 V268 I396 S397 Y398 I404 | L113-L400 HydrophobicContact CD1-CB 3.94Å; L113-L400 HydrophobicContact CD1-CD1 4.12Å; V268-L400 HydrophobicContact CG1-CD2 4.24Å; V268-L400 HydrophobicContact CG2-CB 4.45Å; V268-L400 HydrophobicContact CG2-CD2 4.09Å; I396-L400 WeakPolarHBondContact O-CB 3.49Å; I396-L400 PolarHBondContact O-N 3.29Å; S397-L400 PolarHBondContact O-N 3.27Å; Y398-L400 VanDerWaalsContact C-N 3.28Å; Y398-L400 PolarHBondContact O-N 3.05Å; L400-I404 HydrophobicContact CD1-CD1 3.73Å; L400-I404 HydrophobicContact CD1-CG1 4.4Å; L400-I404 HydrophobicContact CG-CD1 3.96Å; L400-I404 WeakPolarHBondContact O-CB 3.39Å; L400-I404 WeakPolarHBondContact O-CG1 3.48Å; L400-I404 PolarHBondContact O-N 3.01Å; L400-I404 VanDerWaalsContact O-N 3.14Å |
| 401 | A | 87.1 | Confident | 81.9 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.3 | -47.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N271 I272 S397 Y398 S399 I404 G405 | N271-A401 HydrophobicContact CB-CB 3.75Å; I272-A401 HydrophobicContact CG1-CB 3.92Å; S397-A401 PolarHBondContact O-N 3.31Å; Y398-A401 PolarHBondContact O-N 3.11Å; S399-A401 PolarHBondContact O-N 3.05Å; A401-I404 PolarHBondContact O-N 3.14Å; A401-G405 WeakPolarHBondContact O-CA 3.42Å; A401-G405 PolarHBondContact O-N 3.01Å |
| 402 | Y | 81.8 | Confident | 82.2 | Confident | 36 Ų | 36 | 25.9 Ų | 25.9 | 14% | 0.141 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -77.4 | -17.1 | -178.5 | -75.4 | -75.3 | 0 | 0 | 0 | 114.7 | Y48 N271 L274 A275 Y398 S399 P406 | Y48-Y402 HydrophobicContact CE1-CD1 4.16Å; Y48-Y402 AromaticContact CE1-CE1 3.93Å; Y48-Y402 HydrophobicContact CE1-CE1 3.93Å; Y48-Y402 AromaticContact CZ-CD1 3.8Å; Y48-Y402 WeakPolarHBondContact OH-CD1 3.47Å; N271-Y402 HydrophobicContact CB-CE2 4.4Å; L274-Y402 WeakPolarHBondContact CD2-OH 3.32Å; A275-Y402 HydrophobicContact CB-CD1 3.65Å; A275-Y402 HydrophobicContact CB-CE1 3.85Å; A275-Y402 HydrophobicContact CB-CG 4.15Å; Y398-Y402 WeakPolarHBondContact O-CD2 3.43Å; Y398-Y402 PolarHBondContact O-N 2.97Å; Y398-Y402 VanDerWaalsContact O-N 3.11Å; S399-Y402 PolarHBondContact O-N 3.3Å; Y402-P406 WeakPolarHBondContact O-CD 3.39Å |
| 403 | A | 83.4 | Confident | 82.2 | Confident | 11 Ų | 11 | 27.1 Ų | 27.1 | 9% | 0.091 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -77.6 | -42.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | A109 I110 S399 I407 | A109-A403 HydrophobicContact CB-CB 4.01Å; I110-A403 HydrophobicContact CG1-CB 3.89Å; S399-A403 WeakPolarHBondContact O-CB 3.42Å; S399-A403 PolarHBondContact O-N 3.07Å; A403-I407 WeakPolarHBondContact O-CD1 3.31Å |
| 404 | I | 84.1 | Confident | 81.7 | Confident | 72 Ų | 72 | 31 Ų | 31 | 37% | 0.369 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -78.9 | -40.4 | -177.3 | -64.6 | 173.8 | 0 | 0 | 0 | 111 | L400 A401 I407 V408 | L400-I404 HydrophobicContact CD1-CD1 3.73Å; L400-I404 HydrophobicContact CD1-CG1 4.4Å; L400-I404 HydrophobicContact CG-CD1 3.96Å; L400-I404 WeakPolarHBondContact O-CB 3.39Å; L400-I404 WeakPolarHBondContact O-CG1 3.48Å; L400-I404 PolarHBondContact O-N 3.01Å; L400-I404 VanDerWaalsContact O-N 3.14Å; A401-I404 PolarHBondContact O-N 3.14Å; I404-I407 PolarHBondContact O-N 3.16Å; I404-V408 HydrophobicContact CG2-CB 4.29Å; I404-V408 HydrophobicContact CG2-CG2 3.64Å; I404-V408 WeakPolarHBondContact O-CB 3.22Å; I404-V408 WeakPolarHBondContact O-CG2 3.38Å; I404-V408 PolarHBondContact O-N 2.67Å |
| 405 | G | 82.2 | Confident | 81.5 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56 | -62.2 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115 | A401 I407 V408 A409 | A401-G405 WeakPolarHBondContact O-CA 3.42Å; A401-G405 PolarHBondContact O-N 3.01Å; G405-I407 VanDerWaalsContact C-N 3.25Å; G405-I407 PolarHBondContact O-N 2.74Å; G405-V408 PolarHBondContact O-N 3.31Å; G405-A409 WeakPolarHBondContact O-CB 3.28Å; G405-A409 PolarHBondContact O-N 3.07Å |
| 406 | P | 76.7 | Confident | 81.7 | Confident | 8 Ų | 8 | 39.5 Ų | 39.5 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.5 | -33.9 | -179.1 | -25.9 | 35.3 | 0 | 0 | 0 | 114 | F105 P279 Y402 | F105-P406 HydrophobicContact CB-CB 4.33Å; F105-P406 HydrophobicContact CB-CG 4.28Å; P279-P406 HydrophobicContact CG-CB 4.36Å; Y402-P406 WeakPolarHBondContact O-CD 3.39Å |
| 407 | I | 78.7 | Confident | 81.7 | Confident | 83 Ų | 83 | 39.5 Ų | 39.5 | 43% | 0.426 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -71.9 | -47.1 | -178.8 | -59.3 | 178.7 | 0 | 0 | 0 | 110.7 | A106 A403 I404 G405 | A106-I407 HydrophobicContact CB-CD1 3.91Å; A106-I407 HydrophobicContact CB-CG1 3.97Å; A403-I407 WeakPolarHBondContact O-CD1 3.31Å; I404-I407 PolarHBondContact O-N 3.16Å; G405-I407 VanDerWaalsContact C-N 3.25Å; G405-I407 PolarHBondContact O-N 2.74Å |
| 408 | V | 83.1 | Confident | 81.6 | Confident | 59 Ų | 59 | 40 Ų | 40 | 36% | 0.358 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -79.3 | -40.6 | -175.7 | 175 | 0 | 0 | 0 | 0 | 111.5 | F276 I404 G405 G410 G411 I412 | F276-V408 HydrophobicContact CE1-CB 4.41Å; F276-V408 HydrophobicContact CE1-CG1 4.04Å; F276-V408 HydrophobicContact CZ-CB 4.08Å; F276-V408 HydrophobicContact CZ-CG1 4.02Å; I404-V408 HydrophobicContact CG2-CB 4.29Å; I404-V408 HydrophobicContact CG2-CG2 3.64Å; I404-V408 WeakPolarHBondContact O-CB 3.22Å; I404-V408 WeakPolarHBondContact O-CG2 3.38Å; I404-V408 PolarHBondContact O-N 2.67Å; G405-V408 PolarHBondContact O-N 3.31Å; V408-G410 PolarHBondContact O-N 2.72Å; V408-G411 PolarHBondContact O-N 3.22Å; V408-I412 HydrophobicContact CG1-CD1 3.58Å; V408-I412 HydrophobicContact CG1-CG1 4.17Å; V408-I412 WeakPolarHBondContact O-CG1 3.48Å; V408-I412 PolarHBondContact O-N 2.87Å |
| 409 | A | 80.5 | Confident | 81.9 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.3 | -43.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F276 T280 G405 G411 I412 V413 L421 | F276-A409 HydrophobicContact CB-CB 4.1Å; F276-A409 HydrophobicContact CD1-CB 3.87Å; F276-A409 HydrophobicContact CE1-CB 4.44Å; F276-A409 HydrophobicContact CG-CB 3.98Å; T280-A409 HydrophobicContact CG2-CB 3.88Å; G405-A409 WeakPolarHBondContact O-CB 3.28Å; G405-A409 PolarHBondContact O-N 3.07Å; A409-G411 VanDerWaalsContact C-N 3.31Å; A409-G411 PolarHBondContact O-N 2.96Å; A409-I412 PolarHBondContact O-N 3.37Å; A409-V413 WeakPolarHBondContact O-CG2 3.22Å; A409-V413 PolarHBondContact O-N 3.29Å; A409-L421 HydrophobicContact CB-CD1 3.91Å; A409-L421 HydrophobicContact CB-CD2 4.3Å |
| 410 | G | 71.4 | Confident | 82.2 | Confident | 27 Ų | 27 | 44.6 Ų | 44.6 | 28% | 0.278 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.5 | -42 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V408 A414 | V408-G410 PolarHBondContact O-N 2.72Å; G410-A414 WeakPolarHBondContact O-CB 3.45Å; G410-A414 PolarHBondContact O-N 3.49Å; G410-A414 VanDerWaalsContact O-N 3.12Å |
| 411 | G | 76.8 | Confident | 82.3 | Confident | 44 Ų | 44 | 41.6 Ų | 41.6 | 45% | 0.454 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.3 | -40.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V408 A409 S415 | V408-G411 PolarHBondContact O-N 3.22Å; A409-G411 VanDerWaalsContact C-N 3.31Å; A409-G411 PolarHBondContact O-N 2.96Å; G411-S415 WeakPolarHBondContact O-CB 3.44Å; G411-S415 PolarHBondContact O-N 3.22Å; G411-S415 PolarHBondContact O-OG 2.91Å |
| 412 | I | 83.4 | Confident | 82.6 | Confident | 31 Ų | 31 | 41.6 Ų | 41.6 | 16% | 0.159 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.4 | -45.1 | 178.1 | -66.4 | 174.3 | 0 | 0 | 0 | 110.8 | F276 V408 A409 A414 S415 H416 G417 L421 I424 | F276-I412 HydrophobicContact CE1-CD1 4.46Å; V408-I412 HydrophobicContact CG1-CD1 3.58Å; V408-I412 HydrophobicContact CG1-CG1 4.17Å; V408-I412 WeakPolarHBondContact O-CG1 3.48Å; V408-I412 PolarHBondContact O-N 2.87Å; A409-I412 PolarHBondContact O-N 3.37Å; I412-A414 VanDerWaalsContact C-N 3.31Å; I412-A414 PolarHBondContact O-N 3.24Å; I412-S415 PolarHBondContact O-N 3.16Å; I412-S415 PolarHBondContact O-OG 2.74Å; I412-H416 PolarHBondContact O-N 2.63Å; I412-G417 PolarHBondContact O-N 2.92Å; I412-L421 HydrophobicContact CB-CD1 3.86Å; I412-L421 HydrophobicContact CD1-CD1 4.21Å; I412-L421 HydrophobicContact CG2-CB 4.22Å; I412-L421 HydrophobicContact CG2-CD1 3.84Å; I412-I424 HydrophobicContact CD1-CD1 4.13Å; I412-I424 HydrophobicContact CG2-CD1 4.26Å |
| 413 | V | 79.6 | Confident | 83.1 | Confident | 29 Ų | 29 | 42.7 Ų | 42.7 | 18% | 0.176 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 179.3 | 173.3 | 0 | 0 | 0 | 0 | 111 | T280 A409 S415 G417 F418 L421 | T280-V413 HydrophobicContact CG2-CG2 3.69Å; A409-V413 WeakPolarHBondContact O-CG2 3.22Å; A409-V413 PolarHBondContact O-N 3.29Å; V413-S415 VanDerWaalsContact C-N 3.32Å; V413-S415 PolarHBondContact O-N 3.41Å; V413-G417 VanDerWaalsContact O-CA 3.25Å; V413-G417 WeakPolarHBondContact O-CA 3.39Å; V413-G417 PolarHBondContact O-N 3.14Å; V413-F418 HydrophobicContact CG2-CD2 4.45Å; V413-L421 HydrophobicContact CG2-CB 4.13Å; V413-L421 HydrophobicContact CG2-CD1 4.34Å; V413-L421 HydrophobicContact CG2-CD2 3.73Å; V413-L421 HydrophobicContact CG2-CG 4.29Å |
| 414 | A | 74.1 | Confident | 83.5 | Confident | 82 Ų | 82 | 45.7 Ų | 45.7 | 68% | 0.678 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -65.6 | -32.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G410 I412 | G410-A414 WeakPolarHBondContact O-CB 3.45Å; G410-A414 PolarHBondContact O-N 3.49Å; G410-A414 VanDerWaalsContact O-N 3.12Å; I412-A414 VanDerWaalsContact C-N 3.31Å; I412-A414 PolarHBondContact O-N 3.24Å |
| 415 | S | 81.2 | Confident | 83.9 | Confident | 79 Ų | 79 | 42.3 Ų | 42.3 | 55% | 0.552 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -95.5 | -36.6 | -174.7 | 52.5 | 0 | 0 | 0 | 0 | 114.4 | G411 I412 V413 | G411-S415 WeakPolarHBondContact O-CB 3.44Å; G411-S415 PolarHBondContact O-N 3.22Å; G411-S415 PolarHBondContact O-OG 2.91Å; I412-S415 PolarHBondContact O-N 3.16Å; I412-S415 PolarHBondContact O-OG 2.74Å; V413-S415 VanDerWaalsContact C-N 3.32Å; V413-S415 PolarHBondContact O-N 3.41Å |
| 416 | H | 83.5 | Confident | 84.4 | Confident | 131 Ų | 131 | 43.2 Ų | 43.2 | 61% | 0.606 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -129 | 1.1 | -171 | -59.9 | 80.3 | 0 | 0 | 0 | 113.6 | I412 T420 | I412-H416 PolarHBondContact O-N 2.63Å; H416-T420 HydrophobicContact CB-CG2 3.84Å; H416-T420 WeakPolarHBondContact O-CB 3.48Å; H416-T420 PolarHBondContact O-OG1 3.36Å |
| 417 | G | 84.1 | Confident | 85.2 | Confident | 29 Ų | 29 | 47.1 Ų | 47.1 | 30% | 0.299 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | 82.2 | 166.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | I412 V413 F419 T420 L421 | I412-G417 PolarHBondContact O-N 2.92Å; V413-G417 VanDerWaalsContact O-CA 3.25Å; V413-G417 WeakPolarHBondContact O-CA 3.39Å; V413-G417 PolarHBondContact O-N 3.14Å; G417-F419 PolarHBondContact O-N 3.38Å; G417-T420 PolarHBondContact O-N 2.94Å; G417-L421 PolarHBondContact O-N 2.88Å |
| 418 | F | 87.2 | Confident | 85.9 | Confident | 16 Ų | 16 | 45.4 Ų | 45.4 | 7% | 0.07 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66 | -32.3 | -175.4 | -174.5 | -103.4 | 0 | 0 | 0 | 113.9 | W284 V344 P345 V413 L421 N422 | W284-F418 HydrophobicContact CB-CD1 4.18Å; W284-F418 HydrophobicContact CB-CD2 3.77Å; W284-F418 HydrophobicContact CB-CE1 4.31Å; W284-F418 HydrophobicContact CB-CE2 3.92Å; W284-F418 HydrophobicContact CB-CG 3.91Å; W284-F418 HydrophobicContact CB-CZ 4.18Å; W284-F418 AromaticContact CD1-CD1 3.36Å; W284-F418 AromaticContact CD1-CG 3.49Å; W284-F418 VanDerWaalsContact CD1-CG 3.49Å; W284-F418 AromaticContact CD2-CD1 3.66Å; W284-F418 HydrophobicContact CD2-CD1 3.66Å; W284-F418 AromaticContact CD2-CE1 3.49Å; W284-F418 HydrophobicContact CD2-CE1 3.49Å; W284-F418 VanDerWaalsContact CD2-CE1 3.49Å; W284-F418 HydrophobicContact CD2-CG 4.3Å; W284-F418 AromaticContact CD2-CZ 4Å; W284-F418 HydrophobicContact CD2-CZ 4Å; W284-F418 AromaticContact CE2-CD1 3.72Å; W284-F418 AromaticContact CE2-CE1 3.8Å; W284-F418 AromaticContact CE3-CE1 3.89Å; W284-F418 HydrophobicContact CE3-CE1 3.89Å; W284-F418 HydrophobicContact CE3-CZ 4.13Å; W284-F418 HydrophobicContact CG-CB 4.19Å; W284-F418 AromaticContact CG-CD1 3.44Å; W284-F418 HydrophobicContact CG-CD1 3.44Å; W284-F418 VanDerWaalsContact CG-CD1 3.44Å; W284-F418 AromaticContact CG-CD2 3.95Å; W284-F418 HydrophobicContact CG-CD2 3.95Å; W284-F418 AromaticContact CG-CE1 3.66Å; W284-F418 HydrophobicContact CG-CE1 3.66Å; W284-F418 HydrophobicContact CG-CE2 4.15Å; W284-F418 AromaticContact CG-CG 3.59Å; W284-F418 HydrophobicContact CG-CG 3.59Å; W284-F418 HydrophobicContact CG-CZ 4.01Å; W284-F418 HydrophobicContact CZ2-CE1 4.43Å; W284-F418 AromaticContact NE1-CD1 3.51Å; V344-F418 HydrophobicContact CG1-CE1 3.96Å; V344-F418 HydrophobicContact CG1-CZ 4.07Å; P345-F418 HydrophobicContact CB-CD1 4.33Å; P345-F418 HydrophobicContact CG-CD1 4.15Å; P345-F418 HydrophobicContact CG-CE1 4.16Å; V413-F418 HydrophobicContact CG2-CD2 4.45Å; F418-L421 PolarHBondContact O-N 3.43Å; F418-N422 WeakPolarHBondContact CD1-ND2 3.4Å; F418-N422 WeakPolarHBondContact CE1-ND2 3.43Å; F418-N422 VanDerWaalsContact CZ-ND2 3.29Å; F418-N422 WeakPolarHBondContact CZ-ND2 3.35Å; F418-N422 PolarHBondContact O-N 2.75Å; F418-N422 PolarHBondContact O-ND2 3.17Å |
| 419 | F | 90 | Very high | 86.4 | Confident | 90 Ų | 90 | 42.6 Ų | 42.6 | 40% | 0.395 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 176.3 | 176.3 | -99.5 | 0 | 0 | 0 | 111.8 | F342 P345 F346 G417 L421 N422 L423 | F342-F419 HydrophobicContact CE2-CE2 4.24Å; F342-F419 HydrophobicContact CE2-CZ 4.18Å; P345-F419 HydrophobicContact CB-CD2 4.02Å; P345-F419 HydrophobicContact CG-CD2 4.15Å; F346-F419 AromaticContact CE2-CE2 3.99Å; F346-F419 HydrophobicContact CE2-CE2 3.99Å; F346-F419 HydrophobicContact CZ-CD2 4.44Å; F346-F419 AromaticContact CZ-CE2 3.73Å; F346-F419 HydrophobicContact CZ-CE2 3.73Å; G417-F419 PolarHBondContact O-N 3.38Å; F419-L421 VanDerWaalsContact C-N 3.31Å; F419-L421 PolarHBondContact O-N 2.87Å; F419-N422 PolarHBondContact O-N 2.98Å; F419-L423 HydrophobicContact CE1-CD2 4.35Å; F419-L423 PolarHBondContact O-N 3.18Å |
| 420 | T | 90.5 | Very high | 86.9 | Confident | 45 Ų | 45 | 45.8 Ų | 45.8 | 28% | 0.276 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.9 | -39 | -178.8 | -53.6 | 0 | 0 | 0 | 0 | 111.6 | H416 G417 N422 L423 I424 | H416-T420 HydrophobicContact CB-CG2 3.84Å; H416-T420 WeakPolarHBondContact O-CB 3.48Å; H416-T420 PolarHBondContact O-OG1 3.36Å; G417-T420 PolarHBondContact O-N 2.94Å; T420-N422 PolarHBondContact O-N 3.4Å; T420-L423 PolarHBondContact O-N 2.93Å; T420-I424 HydrophobicContact CG2-CD1 4.22Å; T420-I424 WeakPolarHBondContact O-CG1 3.26Å; T420-I424 PolarHBondContact O-N 3.35Å |
| 421 | L | 89.8 | Confident | 87.9 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.1 | -51.1 | 174 | -172.1 | 81.2 | 0 | 0 | 0 | 111.4 | F276 T280 A409 I412 V413 G417 F418 F419 L423 I424 I425 | F276-L421 HydrophobicContact CB-CD2 4.46Å; F276-L421 HydrophobicContact CD1-CD1 3.58Å; F276-L421 HydrophobicContact CD1-CG 4.23Å; F276-L421 HydrophobicContact CE1-CD1 4.18Å; T280-L421 HydrophobicContact CG2-CD2 3.96Å; A409-L421 HydrophobicContact CB-CD1 3.91Å; A409-L421 HydrophobicContact CB-CD2 4.3Å; I412-L421 HydrophobicContact CB-CD1 3.86Å; I412-L421 HydrophobicContact CD1-CD1 4.21Å; I412-L421 HydrophobicContact CG2-CB 4.22Å; I412-L421 HydrophobicContact CG2-CD1 3.84Å; V413-L421 HydrophobicContact CG2-CB 4.13Å; V413-L421 HydrophobicContact CG2-CD1 4.34Å; V413-L421 HydrophobicContact CG2-CD2 3.73Å; V413-L421 HydrophobicContact CG2-CG 4.29Å; G417-L421 PolarHBondContact O-N 2.88Å; F418-L421 PolarHBondContact O-N 3.43Å; F419-L421 VanDerWaalsContact C-N 3.31Å; F419-L421 PolarHBondContact O-N 2.87Å; L421-L423 VanDerWaalsContact C-N 3.33Å; L421-L423 PolarHBondContact O-N 3.18Å; L421-I424 PolarHBondContact O-N 3.26Å; L421-I425 HydrophobicContact CG-CD1 4.26Å; L421-I425 WeakPolarHBondContact O-CG1 3.24Å; L421-I425 PolarHBondContact O-N 2.85Å; L421-I425 VanDerWaalsContact O-N 3.09Å |
| 422 | N | 92.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.4 | -34.3 | -178.4 | -79.9 | -80.9 | 0 | 0 | 0 | 112.7 | L277 C341 P345 F418 F419 T420 I425 C426 | L277-N422 WeakPolarHBondContact CD1-OD1 3.34Å; C341-N422 WeakPolarHBondContact O-CB 3.47Å; C341-N422 PolarHBondContact O-OD1 2.83Å; C341-N422 VanDerWaalsContact O-OD1 3.07Å; P345-N422 HydrophobicContact CG-CB 3.76Å; F418-N422 WeakPolarHBondContact CD1-ND2 3.4Å; F418-N422 WeakPolarHBondContact CE1-ND2 3.43Å; F418-N422 VanDerWaalsContact CZ-ND2 3.29Å; F418-N422 WeakPolarHBondContact CZ-ND2 3.35Å; F418-N422 PolarHBondContact O-N 2.75Å; F418-N422 PolarHBondContact O-ND2 3.17Å; F419-N422 PolarHBondContact O-N 2.98Å; T420-N422 PolarHBondContact O-N 3.4Å; N422-I425 PolarHBondContact O-N 2.93Å; N422-C426 WeakPolarHBondContact O-CB 3.41Å; N422-C426 PolarHBondContact O-N 3.33Å |
| 423 | L | 92.6 | Very high | 89.2 | Confident | 59 Ų | 59 | 50.8 Ų | 50.8 | 31% | 0.309 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 173.5 | -177.5 | 62.1 | 0 | 0 | 0 | 111.9 | F342 F419 T420 L421 C426 L427 | F342-L423 HydrophobicContact CD2-CD1 4.1Å; F342-L423 HydrophobicContact CE2-CD1 4.09Å; F419-L423 HydrophobicContact CE1-CD2 4.35Å; F419-L423 PolarHBondContact O-N 3.18Å; T420-L423 PolarHBondContact O-N 2.93Å; L421-L423 VanDerWaalsContact C-N 3.33Å; L421-L423 PolarHBondContact O-N 3.18Å; L423-C426 PolarHBondContact O-N 3.21Å; L423-L427 HydrophobicContact CD1-CD1 4.44Å; L423-L427 HydrophobicContact CD1-CG 4.42Å; L423-L427 HydrophobicContact CG-CD1 4.24Å; L423-L427 WeakPolarHBondContact O-CG 3.45Å; L423-L427 PolarHBondContact O-N 2.94Å |
| 424 | I | 91.9 | Very high | 89.8 | Confident | 75 Ų | 75 | 53.4 Ų | 53.4 | 39% | 0.385 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 176 | -68.9 | 165.9 | 0 | 0 | 0 | 110.5 | I412 T420 L421 C426 L427 S428 | I412-I424 HydrophobicContact CD1-CD1 4.13Å; I412-I424 HydrophobicContact CG2-CD1 4.26Å; T420-I424 HydrophobicContact CG2-CD1 4.22Å; T420-I424 WeakPolarHBondContact O-CG1 3.26Å; T420-I424 PolarHBondContact O-N 3.35Å; L421-I424 PolarHBondContact O-N 3.26Å; I424-C426 VanDerWaalsContact C-N 3.34Å; I424-C426 PolarHBondContact O-N 3.48Å; I424-L427 PolarHBondContact O-N 3.41Å; I424-S428 WeakPolarHBondContact O-CB 3.45Å; I424-S428 PolarHBondContact O-N 3.41Å |
| 425 | I | 91.5 | Very high | 90.6 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.2 | -44.5 | 177 | -62.7 | 165.2 | 0 | 0 | 0 | 110.7 | F276 L277 C341 L421 N422 S428 N429 | F276-I425 HydrophobicContact CB-CD1 3.6Å; F276-I425 HydrophobicContact CB-CG1 4.26Å; F276-I425 HydrophobicContact CD1-CD1 4.35Å; F276-I425 HydrophobicContact CD1-CG1 4.29Å; F276-I425 HydrophobicContact CG-CD1 4.3Å; F276-I425 HydrophobicContact CG-CG1 4.45Å; L277-I425 HydrophobicContact CD1-CD1 4.47Å; C341-I425 HydrophobicContact CB-CB 4.27Å; C341-I425 HydrophobicContact CB-CG2 3.9Å; C341-I425 VanDerWaalsContact SG-CG2 3.53Å; L421-I425 HydrophobicContact CG-CD1 4.26Å; L421-I425 WeakPolarHBondContact O-CG1 3.24Å; L421-I425 PolarHBondContact O-N 2.85Å; L421-I425 VanDerWaalsContact O-N 3.09Å; N422-I425 PolarHBondContact O-N 2.93Å; I425-S428 PolarHBondContact O-N 3.13Å; I425-N429 PolarHBondContact O-N 2.9Å; I425-N429 VanDerWaalsContact O-N 3.12Å; I425-N429 PolarHBondContact O-ND2 2.87Å |
| 426 | C | 94.1 | Very high | 91.1 | Very high | 18 Ų | 18 | 47.7 Ų | 47.7 | 12% | 0.122 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.4 | -50.7 | 176.9 | 178.8 | 0 | 0 | 0 | 0 | 111.6 | G338 F342 N422 L423 I424 S428 N429 V430 | G338-C426 VanDerWaalsContact O-CB 3.28Å; G338-C426 WeakPolarHBondContact O-CB 3.31Å; G338-C426 PolarHBondContact O-SG 3.37Å; F342-C426 HydrophobicContact CB-CB 4.14Å; N422-C426 WeakPolarHBondContact O-CB 3.41Å; N422-C426 PolarHBondContact O-N 3.33Å; L423-C426 PolarHBondContact O-N 3.21Å; I424-C426 VanDerWaalsContact C-N 3.34Å; I424-C426 PolarHBondContact O-N 3.48Å; C426-S428 PolarHBondContact O-N 3.42Å; C426-N429 PolarHBondContact O-N 2.92Å; C426-V430 WeakPolarHBondContact O-CB 3.46Å; C426-V430 VanDerWaalsContact O-CG2 3.3Å; C426-V430 WeakPolarHBondContact O-CG2 3.38Å; C426-V430 PolarHBondContact O-N 3.43Å; C426-V430 VanDerWaalsContact O-N 3.07Å |
| 427 | L | 93.5 | Very high | 91.3 | Very high | 91 Ų | 91 | 44.1 Ų | 44.1 | 48% | 0.476 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.6 | -42 | -179.7 | -70.6 | 173 | 0 | 0 | 0 | 111.5 | L423 I424 N429 V430 L431 | L423-L427 HydrophobicContact CD1-CD1 4.44Å; L423-L427 HydrophobicContact CD1-CG 4.42Å; L423-L427 HydrophobicContact CG-CD1 4.24Å; L423-L427 WeakPolarHBondContact O-CG 3.45Å; L423-L427 PolarHBondContact O-N 2.94Å; I424-L427 PolarHBondContact O-N 3.41Å; L427-N429 PolarHBondContact O-N 2.94Å; L427-V430 PolarHBondContact O-N 3.47Å; L427-L431 HydrophobicContact CB-CD1 4.41Å; L427-L431 WeakPolarHBondContact O-CB 3.47Å; L427-L431 WeakPolarHBondContact O-CD1 3.36Å; L427-L431 WeakPolarHBondContact O-CG 3.19Å; L427-L431 PolarHBondContact O-N 3.45Å |
| 428 | S | 92.2 | Very high | 91.3 | Very high | 46 Ų | 46 | 49.3 Ų | 49.3 | 32% | 0.322 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.7 | -47.5 | 179.4 | -176.5 | 0 | 0 | 0 | 0 | 112.1 | I424 I425 C426 Y432 | I424-S428 WeakPolarHBondContact O-CB 3.45Å; I424-S428 PolarHBondContact O-N 3.41Å; I425-S428 PolarHBondContact O-N 3.13Å; C426-S428 PolarHBondContact O-N 3.42Å; S428-Y432 WeakPolarHBondContact O-CB 3.34Å; S428-Y432 PolarHBondContact O-N 3.26Å; S428-Y432 VanDerWaalsContact O-N 3.09Å |
| 429 | N | 93.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.1 | -48 | 179.1 | -79.7 | -66.2 | 0 | 0 | 0 | 112.8 | T269 S273 L334 I425 C426 L427 L431 Y432 A433 | T269-N429 PolarHBondContact O-OD1 2.93Å; S273-N429 PolarHBondContact OG-ND2 3.04Å; L334-N429 VanDerWaalsContact CD2-OD1 3.25Å; L334-N429 WeakPolarHBondContact CD2-OD1 3.21Å; L334-N429 WeakPolarHBondContact O-CB 3.42Å; I425-N429 PolarHBondContact O-N 2.9Å; I425-N429 VanDerWaalsContact O-N 3.12Å; I425-N429 PolarHBondContact O-ND2 2.87Å; C426-N429 PolarHBondContact O-N 2.92Å; L427-N429 PolarHBondContact O-N 2.94Å; N429-L431 PolarHBondContact O-N 2.8Å; N429-Y432 PolarHBondContact O-N 2.92Å; N429-A433 PolarHBondContact O-N 3.32Å |
| 430 | V | 92.1 | Very high | 90.9 | Very high | 68 Ų | 68 | 50.3 Ų | 50.3 | 41% | 0.412 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.7 | -37.7 | -177.3 | 174 | 0 | 0 | 0 | 0 | 111.4 | C426 L427 P434 | C426-V430 WeakPolarHBondContact O-CB 3.46Å; C426-V430 VanDerWaalsContact O-CG2 3.3Å; C426-V430 WeakPolarHBondContact O-CG2 3.38Å; C426-V430 PolarHBondContact O-N 3.43Å; C426-V430 VanDerWaalsContact O-N 3.07Å; L427-V430 PolarHBondContact O-N 3.47Å; V430-P434 VanDerWaalsContact O-CD 3.31Å; V430-P434 WeakPolarHBondContact O-CD 3.42Å |
| 431 | L | 92.9 | Very high | 89.9 | Confident | 129 Ų | 129 | 51.2 Ų | 51.2 | 68% | 0.675 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -73.8 | -27.9 | 177.6 | -69.4 | 172.2 | 0 | 0 | 0 | 112.9 | L427 N429 P434 | L427-L431 HydrophobicContact CB-CD1 4.41Å; L427-L431 WeakPolarHBondContact O-CB 3.47Å; L427-L431 WeakPolarHBondContact O-CD1 3.36Å; L427-L431 WeakPolarHBondContact O-CG 3.19Å; L427-L431 PolarHBondContact O-N 3.45Å; N429-L431 PolarHBondContact O-N 2.8Å; L431-P434 WeakPolarHBondContact O-CD 3.27Å |
| 432 | Y | 94.1 | Very high | 88.9 | Confident | 61 Ų | 61 | 51.9 Ų | 51.9 | 24% | 0.239 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -79.3 | -32.1 | 177 | -158.3 | -87 | 0 | 0 | 0 | 112.5 | T262 G265 A266 T269 L334 S428 N429 P434 T435 | T262-Y432 PolarHBondContact O-OH 3.46Å; G265-Y432 VanDerWaalsContact CA-OH 3.31Å; G265-Y432 WeakPolarHBondContact CA-OH 3.44Å; A266-Y432 HydrophobicContact CB-CD1 4.26Å; A266-Y432 HydrophobicContact CB-CE1 3.8Å; A266-Y432 VanDerWaalsContact N-CE1 3.33Å; T269-Y432 HydrophobicContact CG2-CG 4.29Å; L334-Y432 HydrophobicContact CD1-CD1 4.19Å; S428-Y432 WeakPolarHBondContact O-CB 3.34Å; S428-Y432 PolarHBondContact O-N 3.26Å; S428-Y432 VanDerWaalsContact O-N 3.09Å; N429-Y432 PolarHBondContact O-N 2.92Å; Y432-P434 VanDerWaalsContact C-CD 3.43Å; Y432-P434 VanDerWaalsContact C-N 3.35Å; Y432-P434 VanDerWaalsContact O-N 3.15Å; Y432-T435 WeakPolarHBondContact CD1-OG1 3.5Å; Y432-T435 WeakPolarHBondContact CE1-OG1 3.45Å; Y432-T435 WeakPolarHBondContact O-CB 3.39Å; Y432-T435 WeakPolarHBondContact O-CG2 3.41Å; Y432-T435 PolarHBondContact O-N 3.29Å; Y432-T435 PolarHBondContact O-OG1 3.33Å |
| 433 | A | 92.9 | Very high | 87.4 | Confident | 16 Ų | 16 | 52.9 Ų | 52.9 | 13% | 0.132 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -50.4 | -39.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | A331 L334 N429 T435 L436 | A331-A433 HydrophobicContact CB-CB 4.48Å; L334-A433 HydrophobicContact CB-CB 4.24Å; L334-A433 HydrophobicContact CD1-CB 4.46Å; N429-A433 PolarHBondContact O-N 3.32Å; A433-T435 PolarHBondContact O-N 3.23Å; A433-L436 WeakPolarHBondContact O-CB 3.49Å; A433-L436 PolarHBondContact O-N 3.48Å |
| 434 | P | 92.1 | Very high | 85.4 | Confident | 85 Ų | 85 | 54.8 Ų | 54.8 | 55% | 0.552 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -60.3 | -28.5 | 175.6 | -25.8 | 35.3 | 0 | 0 | 0 | 114.7 | V430 L431 Y432 L436 S437 | V430-P434 VanDerWaalsContact O-CD 3.31Å; V430-P434 WeakPolarHBondContact O-CD 3.42Å; L431-P434 WeakPolarHBondContact O-CD 3.27Å; Y432-P434 VanDerWaalsContact C-CD 3.43Å; Y432-P434 VanDerWaalsContact C-N 3.35Å; Y432-P434 VanDerWaalsContact O-N 3.15Å; P434-L436 PolarHBondContact O-N 2.9Å; P434-S437 VanDerWaalsContact O-CB 3.28Å; P434-S437 WeakPolarHBondContact O-CB 3.49Å; P434-S437 PolarHBondContact O-N 3.48Å; P434-S437 VanDerWaalsContact O-N 3.13Å; P434-S437 PolarHBondContact O-OG 2.98Å |
| 435 | T | 91.2 | Very high | 82.8 | Confident | 41 Ų | 41 | 61 Ų | 61 | 25% | 0.252 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -65.2 | -27.2 | -179 | 67.8 | 0 | 0 | 0 | 0 | 112.3 | T262 Y432 A433 S437 F438 | T262-T435 WeakPolarHBondContact CG2-O 3.23Å; Y432-T435 WeakPolarHBondContact CD1-OG1 3.5Å; Y432-T435 WeakPolarHBondContact CE1-OG1 3.45Å; Y432-T435 WeakPolarHBondContact O-CB 3.39Å; Y432-T435 WeakPolarHBondContact O-CG2 3.41Å; Y432-T435 PolarHBondContact O-N 3.29Å; Y432-T435 PolarHBondContact O-OG1 3.33Å; A433-T435 PolarHBondContact O-N 3.23Å; T435-S437 PolarHBondContact O-N 3.02Å; T435-F438 WeakPolarHBondContact O-CB 3.28Å; T435-F438 WeakPolarHBondContact O-CD2 3.32Å; T435-F438 PolarHBondContact O-N 3.36Å |
| 436 | L | 91 | Very high | 80 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -60.8 | -21 | 176 | -71.1 | 170.5 | 0 | 0 | 0 | 112.7 | A266 W327 A330 A331 L334 L371 A433 P434 F438 I439 | A266-L436 HydrophobicContact CB-CD2 3.68Å; A266-L436 HydrophobicContact CB-CG 4.41Å; W327-L436 WeakPolarHBondContact CB-O 3.39Å; A330-L436 HydrophobicContact CB-CD1 3.74Å; A330-L436 HydrophobicContact CB-CD2 4.45Å; A331-L436 HydrophobicContact CB-CB 4.43Å; A331-L436 HydrophobicContact CB-CD1 3.89Å; A331-L436 VanDerWaalsContact N-CD1 3.33Å; L334-L436 HydrophobicContact CD1-CD1 3.68Å; L371-L436 HydrophobicContact CD1-CD2 4.38Å; L371-L436 HydrophobicContact CD2-CD2 4.24Å; A433-L436 WeakPolarHBondContact O-CB 3.49Å; A433-L436 PolarHBondContact O-N 3.48Å; P434-L436 PolarHBondContact O-N 2.9Å; L436-F438 PolarHBondContact O-N 2.93Å; L436-I439 HydrophobicContact CD2-CD1 3.58Å; L436-I439 WeakPolarHBondContact O-CB 3.48Å; L436-I439 PolarHBondContact O-N 3.3Å |
| 437 | S | 86.8 | Confident | 76.9 | Confident | 56 Ų | 56 | 71.2 Ų | 71.2 | 39% | 0.392 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -60.3 | -23.6 | 173.5 | 68.9 | 0 | 0 | 0 | 0 | 113.5 | P434 T435 I439 K440 | P434-S437 VanDerWaalsContact O-CB 3.28Å; P434-S437 WeakPolarHBondContact O-CB 3.49Å; P434-S437 PolarHBondContact O-N 3.48Å; P434-S437 VanDerWaalsContact O-N 3.13Å; P434-S437 PolarHBondContact O-OG 2.98Å; T435-S437 PolarHBondContact O-N 3.02Å; S437-I439 PolarHBondContact O-N 3.48Å; S437-K440 WeakPolarHBondContact O-CB 3.34Å; S437-K440 PolarHBondContact O-N 2.93Å; S437-K440 VanDerWaalsContact O-N 3.08Å |
| 438 | F | 84.4 | Confident | 73.8 | Confident | 138 Ų | 138 | 73.3 Ų | 73.3 | 61% | 0.605 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -59.7 | -30.2 | 172.7 | -75 | -65 | 0 | 0 | 0 | 112.1 | Y259 T435 L436 K440 | Y259-F438 VanDerWaalsContact CE1-O 3.24Å; Y259-F438 WeakPolarHBondContact CE1-O 3.26Å; T435-F438 WeakPolarHBondContact O-CB 3.28Å; T435-F438 WeakPolarHBondContact O-CD2 3.32Å; T435-F438 PolarHBondContact O-N 3.36Å; L436-F438 PolarHBondContact O-N 2.93Å; F438-K440 VanDerWaalsContact C-N 3.3Å; F438-K440 PolarHBondContact O-N 3.4Å |
| 439 | I | 86.3 | Confident | 70.7 | Confident | 2 Ų | 2 | 74.2 Ų | 74.2 | 1% | 0.01 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -83.1 | -9.2 | -177.9 | -39.6 | 163.5 | 0 | 0 | 0 | 111.6 | T262 C263 W327 L371 L374 L436 S437 T441 V442 | T262-I439 HydrophobicContact CG2-CD1 3.81Å; T262-I439 HydrophobicContact CG2-CG1 3.92Å; C263-I439 VanDerWaalsContact SG-CD1 3.58Å; W327-I439 HydrophobicContact CB-CB 4.26Å; L371-I439 HydrophobicContact CD2-CD1 4.49Å; L374-I439 HydrophobicContact CD2-CG2 3.66Å; L374-I439 HydrophobicContact CG-CG2 4.47Å; L436-I439 HydrophobicContact CD2-CD1 3.58Å; L436-I439 WeakPolarHBondContact O-CB 3.48Å; L436-I439 PolarHBondContact O-N 3.3Å; S437-I439 PolarHBondContact O-N 3.48Å; I439-T441 PolarHBondContact O-N 2.89Å; I439-T441 VanDerWaalsContact O-N 3.07Å; I439-V442 HydrophobicContact CB-CG2 4.38Å; I439-V442 HydrophobicContact CG2-CB 4.21Å; I439-V442 HydrophobicContact CG2-CG2 3.49Å; I439-V442 VanDerWaalsContact CG2-CG2 3.49Å; I439-V442 VanDerWaalsContact O-CB 3.32Å; I439-V442 WeakPolarHBondContact O-CB 3.38Å; I439-V442 VanDerWaalsContact O-CG2 3.26Å; I439-V442 WeakPolarHBondContact O-CG2 3.1Å; I439-V442 PolarHBondContact O-N 2.96Å; I439-V442 VanDerWaalsContact O-N 3.08Å |
| 440 | K | 82.8 | Confident | 67.5 | Low | 124 Ų | 124 | 78.5 Ų | 78.5 | 54% | 0.539 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -53.3 | -32.8 | 176.5 | -178 | 178.3 | 178.3 | -175.9 | 0 | 112.6 | W327 S437 F438 V442 | W327-K440 HydrophobicContact CD2-CB 4.12Å; W327-K440 HydrophobicContact CG-CB 4.21Å; W327-K440 HydrophobicContact CH2-CD 4.46Å; W327-K440 HydrophobicContact CZ2-CB 4.42Å; W327-K440 HydrophobicContact CZ2-CD 3.8Å; W327-K440 HydrophobicContact CZ2-CG 4.05Å; S437-K440 WeakPolarHBondContact O-CB 3.34Å; S437-K440 PolarHBondContact O-N 2.93Å; S437-K440 VanDerWaalsContact O-N 3.08Å; F438-K440 VanDerWaalsContact C-N 3.3Å; F438-K440 PolarHBondContact O-N 3.4Å; K440-V442 VanDerWaalsContact C-N 3.3Å; K440-V442 PolarHBondContact O-N 3.38Å |
| 441 | T | 69.6 | Low | 64.5 | Low | 64 Ų | 64 | 81.4 Ų | 81.4 | 39% | 0.393 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -79.9 | -9.3 | -174.7 | -23.6 | 0 | 0 | 0 | 0 | 113.9 | I439 Y443 T444 | I439-T441 PolarHBondContact O-N 2.89Å; I439-T441 VanDerWaalsContact O-N 3.07Å; T441-Y443 VanDerWaalsContact C-N 3.31Å; T441-Y443 PolarHBondContact O-N 3.07Å; T441-T444 WeakPolarHBondContact CA-OG1 3.24Å; T441-T444 VanDerWaalsContact O-CB 3.29Å; T441-T444 WeakPolarHBondContact O-CB 3.36Å; T441-T444 PolarHBondContact O-N 2.94Å; T441-T444 PolarHBondContact O-OG1 3.4Å |
| 442 | V | 68.1 | Low | 61.4 | Low | 15 Ų | 15 | 84.1 Ų | 84.1 | 9% | 0.091 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -64.9 | -34.2 | -171.8 | 171.3 | 0 | 0 | 0 | 0 | 112.7 | Y259 L374 Y377 L378 I439 K440 | Y259-V442 HydrophobicContact CD1-CG2 3.42Å; Y259-V442 VanDerWaalsContact CD1-CG2 3.42Å; Y259-V442 HydrophobicContact CE1-CG2 3.79Å; Y259-V442 HydrophobicContact CG-CG2 4.08Å; L374-V442 HydrophobicContact CD1-CG1 4.11Å; Y377-V442 HydrophobicContact CD1-CG1 3.95Å; Y377-V442 HydrophobicContact CE1-CG1 3.77Å; L378-V442 HydrophobicContact CD2-CB 4.33Å; L378-V442 HydrophobicContact CD2-CG1 3.54Å; L378-V442 HydrophobicContact CD2-CG2 3.75Å; L378-V442 HydrophobicContact CG-CG1 4.25Å; I439-V442 HydrophobicContact CB-CG2 4.38Å; I439-V442 HydrophobicContact CG2-CB 4.21Å; I439-V442 HydrophobicContact CG2-CG2 3.49Å; I439-V442 VanDerWaalsContact CG2-CG2 3.49Å; I439-V442 VanDerWaalsContact O-CB 3.32Å; I439-V442 WeakPolarHBondContact O-CB 3.38Å; I439-V442 VanDerWaalsContact O-CG2 3.26Å; I439-V442 WeakPolarHBondContact O-CG2 3.1Å; I439-V442 PolarHBondContact O-N 2.96Å; I439-V442 VanDerWaalsContact O-N 3.08Å; K440-V442 VanDerWaalsContact C-N 3.3Å; K440-V442 PolarHBondContact O-N 3.38Å |
| 443 | Y | 61.2 | Low | 58.1 | Low | 21 Ų | 21 | 85 Ų | 85 | 8% | 0.082 | 44% | 0.44 | C | S | . | . | G | 310 helix | trans | -90.9 | -3.2 | 174.4 | -66.6 | -75.7 | 0 | 0 | 0 | 113.6 | E177 P323 P326 L374 Y377 T441 | E177-Y443 PolarHBondContact OE1-OH 2.78Å; P323-Y443 VanDerWaalsContact O-CE2 3.24Å; P323-Y443 WeakPolarHBondContact O-CE2 3.48Å; P326-Y443 HydrophobicContact CG-CE2 3.86Å; L374-Y443 HydrophobicContact CD1-CE2 3.75Å; L374-Y443 WeakPolarHBondContact CD1-OH 3.38Å; Y377-Y443 HydrophobicContact CD1-CE1 4.15Å; Y377-Y443 HydrophobicContact CD2-CE1 4.49Å; Y377-Y443 HydrophobicContact CE1-CD1 4.11Å; Y377-Y443 AromaticContact CE1-CE1 3.85Å; Y377-Y443 HydrophobicContact CE1-CE1 3.85Å; Y377-Y443 HydrophobicContact CE2-CE1 4.21Å; Y377-Y443 HydrophobicContact CG-CE1 4.46Å; Y377-Y443 AromaticContact CZ-CE1 3.87Å; T441-Y443 VanDerWaalsContact C-N 3.31Å; T441-Y443 PolarHBondContact O-N 3.07Å |
| 444 | T | 50.5 | Low | 55 | Low | 100 Ų | 100 | 90.3 Ų | 90.3 | 61% | 0.613 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -21.6 | 176.6 | -39.9 | 0 | 0 | 0 | 0 | 111.2 | T441 | T441-T444 WeakPolarHBondContact CA-OG1 3.24Å; T441-T444 VanDerWaalsContact O-CB 3.29Å; T441-T444 WeakPolarHBondContact O-CB 3.36Å; T441-T444 PolarHBondContact O-N 2.94Å; T441-T444 PolarHBondContact O-OG1 3.4Å |
| 445 | Y | 37.2 | Very low | 51.9 | Low | 205 Ų | 205 | 95.1 Ų | 95.1 | 80% | 0.804 | 49% | 0.485 | S | S | * | . | trans | -102.2 | 63.5 | 168 | -84.8 | -88.5 | 0 | 0 | 0 | 110.6 | ||||
| 446 | K | 34.1 | Very low | 48.8 | Very low | 123 Ų | 123 | 99.7 Ų | 99.7 | 54% | 0.535 | 51% | 0.508 | S | S | . | . | trans | -91.6 | 114.7 | 158.5 | -134.5 | -179.5 | -171.9 | 179.5 | 0 | 107.9 | ||||
| 447 | T | 28.7 | Very low | 45.7 | Very low | 111 Ų | 111 | 107.8 Ų | 107.8 | 68% | 0.681 | 55% | 0.551 | S | S | * | * | trans | -47.2 | 135.4 | 157.6 | 34.7 | 0 | 0 | 0 | 0 | 109.4 | D449 | T447-D449 PolarHBondContact O-N 3.4Š| ||
| 448 | F | 27.7 | Very low | 42.9 | Very low | 134 Ų | 134 | 114.9 Ų | 114.9 | 59% | 0.588 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -38.7 | 106.4 | -178.5 | -74.7 | -90.7 | 0 | 0 | 0 | 113.2 | F539 V540 | F448-F539 WeakPolarHBondContact CD1-O 3.31Å; F448-F539 VanDerWaalsContact CE1-O 3.27Å; F448-F539 WeakPolarHBondContact CE1-O 3.38Å; F448-V540 WeakPolarHBondContact CB-O 3.29Å |
| 449 | D | 27.3 | Very low | 40.2 | Very low | 66 Ų | 66 | 117.6 Ų | 117.6 | 35% | 0.353 | 59% | 0.587 | S | S | . | * | trans | -162.7 | 105.5 | 149.5 | -112.1 | -36.4 | 0 | 0 | 0 | 110.5 | T447 V540 K675 | T447-D449 PolarHBondContact O-N 3.4Å; D449-V540 WeakPolarHBondContact OD1-CG1 3.05Å; D449-K675 VanDerWaalsContact CG-NZ 3.31Å; D449-K675 WeakPolarHBondContact OD1-CD 3.19Å; D449-K675 WeakPolarHBondContact OD1-CE 3.17Å; D449-K675 IonicContact OD1-NZ 3.06Å; D449-K675 PolarHBondContact OD1-NZ 2.85Å; D449-K675 VanDerWaalsContact OD2-CD 3.29Å; D449-K675 WeakPolarHBondContact OD2-CD 3.28Å; D449-K675 WeakPolarHBondContact OD2-CE 3.45Å; D449-K675 IonicContact OD2-NZ 3.42Å; D449-K675 PolarHBondContact OD2-NZ 2.96Å | ||
| 450 | N | 26.9 | Very low | 37.5 | Very low | 89 Ų | 89 | 125.3 Ų | 125.3 | 48% | 0.476 | 63% | 0.629 | S | S | . | * | trans | 55.7 | 83.6 | 157.9 | -61.6 | -14.6 | 0 | 0 | 0 | 117.9 | V540 K675 | N450-V540 WeakPolarHBondContact OD1-CG2 3.41Å; N450-K675 PolarHBondContact ND2-NZ 3.22Å | ||
| 451 | E | 27.7 | Very low | 34.8 | Very low | 129 Ų | 129 | 127.8 Ų | 127.8 | 60% | 0.603 | 65% | 0.647 | S | S | * | * | trans | -123.1 | 126.7 | 138.3 | -88 | -175.9 | 179.1 | 0 | 0 | 109.3 | R324 | R324-E451 IonicContact CZ-OE2 3.14Å; R324-E451 IonicContact NH1-OE1 2.7Å; R324-E451 IonicContact NH1-OE2 3.44Å; R324-E451 PolarHBondContact NH1-OE2 3.48Å; R324-E451 IonicContact NH2-OE2 3.56Å; R324-E451 PolarHBondContact NH2-OE2 2.9Å | ||
| 452 | E | 28.2 | Very low | 32.8 | Very low | 187 Ų | 187 | 128.2 Ų | 128.2 | 87% | 0.874 | 67% | 0.665 | S | S | * | * | trans | -37.6 | 134.2 | 170.3 | -64.6 | 163 | 154.9 | 0 | 0 | 111.9 | P454 | E452-P454 WeakPolarHBondContact O-CD 3.24Š| ||
| 453 | A | 24.4 | Very low | 30.8 | Very low | 80 Ų | 80 | 136.4 Ų | 136.4 | 66% | 0.661 | 70% | 0.704 | S | S | * | * | trans | -47.9 | 125 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | F455 | A453-F455 PolarHBondContact O-N 2.94Š| ||
| 454 | P | 29.1 | Very low | 29.2 | Very low | 127 Ų | 127 | 140 Ų | 140 | 83% | 0.825 | 73% | 0.73 | S | S | * | * | trans | -78.4 | 82.1 | 163.3 | 31.9 | -27.8 | 0 | 0 | 0 | 107.2 | E452 N456 | E452-P454 WeakPolarHBondContact O-CD 3.24Å; P454-N456 PolarHBondContact O-N 3.39Å | ||
| 455 | F | 25.8 | Very low | 28 | Very low | 186 Ų | 186 | 145 Ų | 145 | 82% | 0.816 | 74% | 0.744 | S | S | * | * | trans | -62.7 | 97.2 | 145.9 | -101.1 | -86.7 | 0 | 0 | 0 | 106 | A453 | A453-F455 PolarHBondContact O-N 2.94Š| ||
| 456 | N | 26 | Very low | 27.5 | Very low | 136 Ų | 136 | 140.6 Ų | 140.6 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | trans | 151.5 | 91 | 145.3 | -75.6 | -15.2 | 0 | 0 | 0 | 110.5 | P454 | P454-N456 PolarHBondContact O-N 3.39Š| ||
| 457 | N | 26.6 | Very low | 27.1 | Very low | 170 Ų | 170 | 141.9 Ų | 141.9 | 91% | 0.909 | 76% | 0.755 | S | S | * | * | trans | -147.7 | 58.5 | 141.5 | -94.4 | -20.3 | 0 | 0 | 0 | 107.7 | ||||
| 458 | F | 29 | Very low | 27 | Very low | 206 Ų | 206 | 142.5 Ų | 142.5 | 90% | 0.904 | 76% | 0.758 | S | S | * | * | trans | -85.6 | 121.8 | 140.6 | -92.5 | -87.3 | 0 | 0 | 0 | 105.9 | D460 | F458-D460 PolarHBondContact O-N 3.41Š| ||
| 459 | K | 26.6 | Very low | 26.7 | Very low | 194 Ų | 194 | 147.2 Ų | 147.2 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | trans | -52.9 | 123.4 | 163.2 | -70.1 | 173.1 | 172.7 | 178.9 | 0 | 107.5 | ||||
| 460 | D | 29.2 | Very low | 26.5 | Very low | 165 Ų | 165 | 147.5 Ų | 147.5 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | trans | -155.1 | 128.7 | 137.6 | -97.7 | -24.8 | 0 | 0 | 0 | 109.2 | F458 | F458-D460 PolarHBondContact O-N 3.41Š| ||
| 461 | D | 26.2 | Very low | 26.4 | Very low | 175 Ų | 175 | 148.3 Ų | 148.3 | 94% | 0.936 | 81% | 0.805 | S | S | * | * | trans | -65.3 | 136.2 | 173.4 | -71.8 | -51.7 | 0 | 0 | 0 | 110.2 | ||||
| 462 | G | 29.3 | Very low | 26.2 | Very low | 73 Ų | 73 | 150.2 Ų | 150.2 | 75% | 0.753 | 82% | 0.819 | S | S | * | * | trans | 128.5 | 74.8 | 157.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 463 | M | 25.3 | Very low | 26 | Very low | 187 Ų | 187 | 145.5 Ų | 145.5 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | 54 | 165.1 | 133.5 | -112.5 | -159.9 | 151.1 | 0 | 0 | 121.8 | ||||
| 464 | P | 28.3 | Very low | 26.2 | Very low | 97 Ų | 97 | 151 Ų | 151 | 63% | 0.63 | 82% | 0.823 | S | S | * | * | -128.9 | 161.3 | -111.4 | 38.8 | -19.4 | 0 | 0 | 0 | 117.5 | |||||
| 465 | K | 24.4 | Very low | 25.9 | Very low | 206 Ų | 206 | 153.5 Ų | 153.5 | 90% | 0.896 | 82% | 0.824 | S | S | * | * | trans | 18.7 | 121.9 | 151 | -62.1 | -176.9 | 178.8 | -179.6 | 0 | 119.7 | ||||
| 466 | S | 27.2 | Very low | 26 | Very low | 111 Ų | 111 | 150.9 Ų | 150.9 | 78% | 0.776 | 83% | 0.826 | S | S | * | * | -171.6 | 133.8 | 115.7 | 61.2 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 467 | N | 24.6 | Very low | 25.9 | Very low | 150 Ų | 150 | 147 Ų | 147 | 80% | 0.802 | 82% | 0.818 | S | S | * | * | trans | 53.4 | 120.3 | 135.5 | -71.3 | -4.2 | 0 | 0 | 0 | 124.5 | ||||
| 468 | V | 26.9 | Very low | 25.8 | Very low | 124 Ų | 124 | 150.3 Ų | 150.3 | 75% | 0.752 | 82% | 0.819 | S | S | * | * | 94.6 | 118.7 | 127.6 | 178.9 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 469 | Y | 21 | Very low | 25.5 | Very low | 234 Ų | 234 | 145.2 Ų | 145.2 | 92% | 0.918 | 81% | 0.809 | S | S | * | * | trans | 2 | 131.8 | 155.5 | -79.7 | -91.8 | 0 | 0 | 0 | 120.5 | ||||
| 470 | G | 25.1 | Very low | 25.3 | Very low | 71 Ų | 71 | 147.5 Ų | 147.5 | 73% | 0.732 | 81% | 0.814 | S | S | * | * | trans | 163.1 | 88.9 | 152.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 471 | S | 24.4 | Very low | 25 | Very low | 107 Ų | 107 | 144.2 Ų | 144.2 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | trans | 35.2 | 124.4 | 144.4 | 61.3 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 472 | L | 23.1 | Very low | 24.8 | Very low | 169 Ų | 169 | 146.4 Ų | 146.4 | 89% | 0.885 | 80% | 0.801 | S | S | * | * | trans | 69.3 | 111.3 | 131.2 | -68.2 | 165.1 | 0 | 0 | 0 | 121.1 | ||||
| 473 | A | 23.5 | Very low | 24.5 | Very low | 88 Ų | 88 | 149.7 Ų | 149.7 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | 92.3 | 132.9 | 127.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 474 | E | 27.9 | Very low | 24.6 | Very low | 195 Ų | 195 | 147.7 Ų | 147.7 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | trans | 93.7 | 100.7 | 159.8 | -59.4 | -174.1 | 172.6 | 0 | 0 | 119.1 | ||||
| 475 | E | 24.6 | Very low | 24.4 | Very low | 179 Ų | 179 | 150.5 Ų | 150.5 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | -75.7 | 174.8 | 166 | -59.5 | -172.2 | 157.1 | 0 | 0 | 112.3 | ||||
| 476 | P | 26.9 | Very low | 24.5 | Very low | 132 Ų | 132 | 143.9 Ų | 143.9 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | -146.4 | 140.9 | 95.7 | 34.3 | -16.7 | 0 | 0 | 0 | 116.1 | |||||
| 477 | G | 24.7 | Very low | 24.3 | Very low | 54 Ų | 54 | 145.2 Ų | 145.2 | 56% | 0.557 | 79% | 0.791 | S | S | * | * | 105.2 | 91 | 122.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 478 | Y | 23.3 | Very low | 24.5 | Very low | 239 Ų | 239 | 147.1 Ų | 147.1 | 94% | 0.937 | 80% | 0.795 | S | S | * | * | -136.8 | 120.2 | 125.2 | -98.2 | -79.6 | 0 | 0 | 0 | 109.4 | |||||
| 479 | S | 22.9 | Very low | 24.2 | Very low | 100 Ų | 100 | 152.3 Ų | 152.3 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | trans | -86.2 | 140.3 | -174 | 49.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 480 | Y | 22.6 | Very low | 24.3 | Very low | 242 Ų | 242 | 144.4 Ų | 144.4 | 95% | 0.949 | 79% | 0.791 | S | S | * | * | trans | -123.5 | 120 | 137.5 | -92.9 | -83.7 | 0 | 0 | 0 | 107.3 | ||||
| 481 | S | 23.1 | Very low | 24.3 | Very low | 96 Ų | 96 | 150.5 Ų | 150.5 | 67% | 0.671 | 80% | 0.803 | S | S | * | * | trans | -83.2 | 134.6 | -174.9 | 164 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 482 | Y | 22.4 | Very low | 24.2 | Very low | 220 Ų | 220 | 156 Ų | 156 | 86% | 0.863 | 81% | 0.807 | S | S | * | * | trans | -151.5 | 105.7 | 136.4 | -103.5 | -80.5 | 0 | 0 | 0 | 107.6 | ||||
| 483 | D | 23.5 | Very low | 24.1 | Very low | 143 Ų | 143 | 155.4 Ų | 155.4 | 77% | 0.765 | 80% | 0.802 | S | S | * | * | -180 | 139.2 | 124.3 | -85.5 | -22.1 | 0 | 0 | 0 | 107.8 | |||||
| 484 | D | 25.6 | Very low | 24.2 | Very low | 144 Ų | 144 | 158.7 Ų | 158.7 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | 167.9 | 156.1 | 97 | -148.3 | -2 | 0 | 0 | 0 | 112.6 | |||||
| 485 | I | 25.1 | Very low | 24 | Very low | 157 Ų | 157 | 157.9 Ų | 157.9 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | trans | 80 | 124.9 | 159.5 | -35.6 | -177.2 | 0 | 0 | 0 | 118.2 | ||||
| 486 | G | 26.5 | Very low | 24 | Very low | 67 Ų | 67 | 159 Ų | 159 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | cis | 176.2 | 164.1 | 3.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 487 | D | 23.2 | Very low | 24.2 | Very low | 138 Ų | 138 | 157.1 Ų | 157.1 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | trans | 42.2 | 114.9 | 141.6 | -147.8 | 9.7 | 0 | 0 | 0 | 120.6 | ||||
| 488 | Q | 27.4 | Very low | 24.4 | Very low | 191 Ų | 191 | 159.3 Ų | 159.3 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | -173.1 | 153.1 | 116.8 | -100.7 | -178.7 | 24.3 | 0 | 0 | 114.6 | |||||
| 489 | R | 22.1 | Very low | 24.4 | Very low | 232 Ų | 232 | 154.8 Ų | 154.8 | 88% | 0.875 | 78% | 0.779 | S | S | * | * | trans | -74.4 | 148.4 | -165.5 | -61.4 | 163.1 | -177.1 | 178.4 | -0.1 | 115.8 | ||||
| 490 | G | 22.6 | Very low | 24.5 | Very low | 68 Ų | 68 | 154.7 Ų | 154.7 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | 105.3 | 112.8 | 124.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 491 | M | 25.4 | Very low | 24.6 | Very low | 199 Ų | 199 | 147.2 Ų | 147.2 | 98% | 0.98 | 78% | 0.78 | S | S | * | * | -175.2 | 152.5 | 118.7 | -105.5 | -171.5 | -77.9 | 0 | 0 | 113.2 | |||||
| 492 | R | 21.5 | Very low | 24.6 | Very low | 224 Ų | 224 | 151 Ų | 151 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | -85.2 | 161.4 | -172.8 | -74.3 | 178.1 | 172.6 | -175.3 | -1.7 | 113.8 | ||||
| 493 | M | 21.9 | Very low | 24.6 | Very low | 155 Ų | 155 | 144.3 Ų | 144.3 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | 68 | 119.9 | 145.3 | -81.8 | -179.7 | 170.8 | 0 | 0 | 119.8 | ||||
| 494 | N | 25.6 | Very low | 24.6 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | -165.9 | 140.7 | 101.9 | -92.5 | -20.6 | 0 | 0 | 0 | 113.3 | |||||
| 495 | Q | 22.4 | Very low | 24.5 | Very low | 178 Ų | 178 | 148 Ų | 148 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -65 | 150.2 | 165.6 | -66.5 | 162.2 | -40.8 | 0 | 0 | 110.7 | ||||
| 496 | F | 25.8 | Very low | 24.5 | Very low | 202 Ų | 202 | 146.6 Ų | 146.6 | 89% | 0.886 | 78% | 0.784 | S | S | * | * | trans | -167.9 | 112 | 136.8 | -110.8 | -77.7 | 0 | 0 | 0 | 110.5 | ||||
| 497 | D | 31 | Very low | 24.3 | Very low | 94 Ų | 94 | 150.3 Ų | 150.3 | 50% | 0.503 | 79% | 0.788 | S | S | . | * | trans | -88.8 | 139.4 | 152.6 | -174 | -0.4 | 0 | 0 | 0 | 105.5 | F499 R779 | D497-F499 PolarHBondContact OD1-N 3.38Å; D497-R779 IonicContact OD2-NH2 3.19Å | ||
| 498 | P | 28.6 | Very low | 24.3 | Very low | 100 Ų | 100 | 152.1 Ų | 152.1 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | -155.9 | 133.6 | 115.5 | 33.1 | -12.3 | 0 | 0 | 0 | 116.1 | |||||
| 499 | F | 23.4 | Very low | 24.1 | Very low | 144 Ų | 144 | 149.6 Ų | 149.6 | 63% | 0.632 | 79% | 0.787 | S | S | * | * | trans | -72.3 | 112.3 | 140.9 | -82.9 | -90.1 | 0 | 0 | 0 | 109.9 | D497 L772 | D497-F499 PolarHBondContact OD1-N 3.38Å; F499-L772 HydrophobicContact CE2-CD2 4.05Å; F499-L772 HydrophobicContact CZ-CD2 3.82Å | ||
| 500 | A | 24.7 | Very low | 24.2 | Very low | 98 Ų | 98 | 143.1 Ų | 143.1 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | -159.9 | 119.7 | 159.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 501 | G | 25.6 | Very low | 24.1 | Very low | 84 Ų | 84 | 146 Ų | 146 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | trans | 139.1 | 98 | 161.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 502 | L | 22.5 | Very low | 24.1 | Very low | 175 Ų | 175 | 141 Ų | 141 | 92% | 0.916 | 78% | 0.778 | S | S | * | * | trans | -60.9 | 145.2 | 169.2 | -80.5 | 136.3 | 0 | 0 | 0 | 113.4 | ||||
| 503 | A | 22.3 | Very low | 24.2 | Very low | 80 Ų | 80 | 137.2 Ų | 137.2 | 66% | 0.661 | 78% | 0.78 | S | S | * | * | trans | 42.6 | 112.4 | 142.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 504 | T | 24.3 | Very low | 24.2 | Very low | 139 Ų | 139 | 138.5 Ų | 138.5 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | 155.9 | 132.7 | 110.8 | 44.8 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 505 | R | 22.2 | Very low | 24.1 | Very low | 225 Ų | 225 | 136.9 Ų | 136.9 | 85% | 0.849 | 78% | 0.779 | S | S | * | * | trans | 44.6 | 130.3 | 146.6 | -97.9 | -176.9 | 157.3 | 155.6 | -3.9 | 123.5 | ||||
| 506 | D | 24.9 | Very low | 24.2 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 68% | 0.684 | 78% | 0.776 | S | S | * | * | trans | 92.2 | 97.4 | 139.2 | -60.8 | -25.9 | 0 | 0 | 0 | 120.7 | ||||
| 507 | N | 23.5 | Very low | 24 | Very low | 145 Ų | 145 | 131.1 Ų | 131.1 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | 48 | 107 | 120.7 | -95.8 | -9.7 | 0 | 0 | 0 | 120.3 | |||||
| 508 | K | 22.7 | Very low | 23.8 | Very low | 176 Ų | 176 | 134.4 Ų | 134.4 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | 141.6 | 136.2 | 109.8 | -89 | -179.8 | 178.8 | -178.4 | 0 | 112.9 | |||||
| 509 | T | 22.8 | Very low | 23.6 | Very low | 138 Ų | 138 | 136.4 Ų | 136.4 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | trans | 62.7 | 93.1 | 153.6 | 53.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 510 | A | 24.3 | Very low | 23.8 | Very low | 96 Ų | 96 | 135.1 Ų | 135.1 | 79% | 0.793 | 79% | 0.794 | S | S | * | * | trans | -152.1 | 107.3 | 140.1 | 0 | 0 | 0 | 0 | 0 | 109 | S512 | A510-S512 PolarHBondContact O-N 3.23Š| ||
| 511 | S | 21.7 | Very low | 23.7 | Very low | 128 Ų | 128 | 135.7 Ų | 135.7 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | trans | -55.1 | 116.5 | 163.2 | 52.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 512 | S | 24.9 | Very low | 23.7 | Very low | 95 Ų | 95 | 140.4 Ų | 140.4 | 66% | 0.664 | 79% | 0.785 | S | S | * | * | trans | -137.6 | 110.2 | 156.1 | 57.5 | 0 | 0 | 0 | 0 | 108.9 | A510 F514 | A510-S512 PolarHBondContact O-N 3.23Å; S512-F514 PolarHBondContact O-N 3Å | ||
| 513 | T | 23 | Very low | 23.7 | Very low | 145 Ų | 145 | 137.3 Ų | 137.3 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | trans | -31.9 | 110 | 166.5 | 38.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 514 | F | 22.3 | Very low | 23.9 | Very low | 182 Ų | 182 | 138.5 Ų | 138.5 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | trans | -67.3 | 138.1 | 160.2 | -77.1 | -89.4 | 0 | 0 | 0 | 108.8 | S512 T516 | S512-F514 PolarHBondContact O-N 3Å; F514-T516 VanDerWaalsContact C-N 3.3Å; F514-T516 PolarHBondContact O-N 3.07Å | ||
| 515 | P | 23.4 | Very low | 23.9 | Very low | 122 Ų | 122 | 136.3 Ų | 136.3 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | trans | -71.2 | 93.4 | 171.7 | 29.4 | -29.1 | 0 | 0 | 0 | 108.3 | N517 | P515-N517 PolarHBondContact O-N 3.49Š| ||
| 516 | T | 23.4 | Very low | 24.3 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 76% | 0.761 | 75% | 0.752 | S | S | * | * | trans | -64.6 | 89.8 | 152.8 | 48.6 | 0 | 0 | 0 | 0 | 106.9 | F514 | F514-T516 VanDerWaalsContact C-N 3.3Å; F514-T516 PolarHBondContact O-N 3.07Å | ||
| 517 | N | 23.5 | Very low | 24.7 | Very low | 136 Ų | 136 | 131.8 Ų | 131.8 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | trans | 176.9 | 89.2 | 158.1 | -88.6 | -19.3 | 0 | 0 | 0 | 108.5 | P515 | P515-N517 PolarHBondContact O-N 3.49Š| ||
| 518 | N | 26 | Very low | 24.9 | Very low | 163 Ų | 163 | 129.1 Ų | 129.1 | 87% | 0.872 | 74% | 0.739 | S | S | * | * | trans | -158.6 | 59.7 | 140.9 | -92.2 | -16.3 | 0 | 0 | 0 | 107.1 | T520 | N518-T520 PolarHBondContact O-N 2.9Š| ||
| 519 | L | 25.1 | Very low | 25.4 | Very low | 142 Ų | 142 | 131 Ų | 131 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | trans | -61.2 | 114.7 | 149 | -82 | 156.4 | 0 | 0 | 0 | 105.3 | S521 | L519-S521 PolarHBondContact O-N 2.75Š| ||
| 520 | T | 27.2 | Very low | 25.9 | Very low | 116 Ų | 116 | 126.5 Ų | 126.5 | 71% | 0.712 | 72% | 0.722 | S | S | * | * | trans | -46 | 102.1 | 175.7 | 43 | 0 | 0 | 0 | 0 | 110.1 | N518 Y522 | N518-T520 PolarHBondContact O-N 2.9Å; T520-Y522 PolarHBondContact O-N 3.08Å; T520-Y522 VanDerWaalsContact O-N 3.14Å | ||
| 521 | S | 23.1 | Very low | 26.5 | Very low | 110 Ų | 110 | 125.2 Ų | 125.2 | 77% | 0.769 | 70% | 0.7 | S | S | * | * | trans | -72.4 | 101.6 | 171.9 | 54.5 | 0 | 0 | 0 | 0 | 107.7 | L519 S523 | L519-S521 PolarHBondContact O-N 2.75Å; S521-S523 PolarHBondContact O-N 3.32Å | ||
| 522 | Y | 24.1 | Very low | 27.4 | Very low | 183 Ų | 183 | 123.7 Ų | 123.7 | 72% | 0.718 | 68% | 0.682 | S | S | * | * | trans | -72.7 | 102.1 | 170.3 | -85.9 | -96.4 | 0 | 0 | 0 | 109.1 | T520 | T520-Y522 PolarHBondContact O-N 3.08Å; T520-Y522 VanDerWaalsContact O-N 3.14Å | ||
| 523 | S | 22.7 | Very low | 28.2 | Very low | 110 Ų | 110 | 125.4 Ų | 125.4 | 77% | 0.769 | 67% | 0.674 | S | S | * | * | trans | -109.8 | 98 | 160.2 | 59.9 | 0 | 0 | 0 | 0 | 108.4 | S521 | S521-S523 PolarHBondContact O-N 3.32Š| ||
| 524 | N | 27.2 | Very low | 29.4 | Very low | 105 Ų | 105 | 121.5 Ų | 121.5 | 56% | 0.561 | 65% | 0.645 | S | S | * | * | trans | -95.8 | 121.7 | 176.3 | -89.2 | -29.1 | 0 | 0 | 0 | 110.4 | ||||
| 525 | S | 24.9 | Very low | 30.8 | Very low | 93 Ų | 93 | 115.5 Ų | 115.5 | 65% | 0.65 | 62% | 0.621 | S | S | * | * | trans | -122.2 | 64.3 | 168.2 | 60 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 526 | Y | 29.3 | Very low | 32.3 | Very low | 153 Ų | 153 | 113.3 Ų | 113.3 | 60% | 0.6 | 60% | 0.601 | S | S | * | * | trans | -152 | 136.8 | -178.1 | -68.9 | -65.4 | 0 | 0 | 0 | 115.2 | M705 | Y526-M705 HydrophobicContact CD1-CE 3.74Å; Y526-M705 HydrophobicContact CD1-CG 3.74Å; Y526-M705 HydrophobicContact CD1-SD 3.03Å; Y526-M705 WeakPolarHBondContact CD1-SD 3.29Å; Y526-M705 HydrophobicContact CE1-CE 4.44Å; Y526-M705 HydrophobicContact CE1-CG 3.84Å; Y526-M705 HydrophobicContact CE1-SD 3.18Å; Y526-M705 WeakPolarHBondContact CE1-SD 3.48Å; Y526-M705 HydrophobicContact CG-CG 4.32Å; Y526-M705 HydrophobicContact CG-SD 4.08Å | ||
| 527 | D | 32.8 | Very low | 34.3 | Very low | 106 Ų | 106 | 108.8 Ų | 108.8 | 57% | 0.567 | 57% | 0.571 | S | S | * | * | trans | 20.2 | 115.8 | 172.7 | -158.1 | 5.8 | 0 | 0 | 0 | 122 | R529 M705 | D527-R529 PolarHBondContact O-N 3.47Å; D527-R529 VanDerWaalsContact O-N 3.15Å; D527-M705 HydrophobicContact CB-CE 4.42Å | ||
| 528 | S | 28.7 | Very low | 36.3 | Very low | 88 Ų | 88 | 105.9 Ų | 105.9 | 62% | 0.615 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -15.6 | -173.4 | 59.9 | 0 | 0 | 0 | 0 | 118.7 | ||
| 529 | R | 32.4 | Very low | 38.2 | Very low | 216 Ų | 216 | 104.7 Ų | 104.7 | 82% | 0.815 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | -27.5 | -174.4 | -80.8 | -175.5 | -97.6 | -173.8 | -6 | 115.3 | D527 | D527-R529 PolarHBondContact O-N 3.47Å; D527-R529 VanDerWaalsContact O-N 3.15Å |
| 530 | G | 34.3 | Very low | 40.6 | Very low | 44 Ų | 44 | 98.7 Ų | 98.7 | 45% | 0.454 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -27 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115 | N532 K660 | G530-N532 VanDerWaalsContact C-N 3.28Å; G530-N532 PolarHBondContact O-N 2.87Å; G530-K660 PolarHBondContact O-NZ 3.3Å |
| 531 | Q | 35.7 | Very low | 43.2 | Very low | 69 Ų | 69 | 93.4 Ų | 93.4 | 32% | 0.322 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.2 | -29.9 | 175.3 | -117.9 | -175.2 | 5.2 | 0 | 0 | 112.3 | R533 E534 N535 | Q531-R533 PolarHBondContact O-N 3.25Å; Q531-R533 VanDerWaalsContact O-N 3.09Å; Q531-E534 PolarHBondContact O-N 3.47Å; Q531-N535 VanDerWaalsContact O-CB 3.23Å; Q531-N535 WeakPolarHBondContact O-CB 3.35Å; Q531-N535 PolarHBondContact O-N 3.27Å |
| 532 | N | 42.4 | Very low | 46.3 | Very low | 96 Ų | 96 | 92.5 Ų | 92.5 | 51% | 0.513 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -57.2 | -32.2 | -174.8 | -98.6 | -15.6 | 0 | 0 | 0 | 113.1 | G530 M536 | G530-N532 VanDerWaalsContact C-N 3.28Å; G530-N532 PolarHBondContact O-N 2.87Å; N532-M536 HydrophobicContact CB-CE 4.35Å; N532-M536 WeakPolarHBondContact O-CA 3.39Å; N532-M536 WeakPolarHBondContact O-CB 3.37Å; N532-M536 WeakPolarHBondContact O-CE 3.47Å; N532-M536 WeakPolarHBondContact O-CG 3.43Å; N532-M536 PolarHBondContact O-N 2.77Å |
| 533 | R | 41.6 | Very low | 49.4 | Very low | 131 Ų | 131 | 86.1 Ų | 86.1 | 49% | 0.494 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -81.4 | -40.3 | -178.6 | -78.9 | -173.5 | 178.5 | -167.9 | -3.2 | 115.5 | Q531 M536 E537 K660 | Q531-R533 PolarHBondContact O-N 3.25Å; Q531-R533 VanDerWaalsContact O-N 3.09Å; R533-M536 HydrophobicContact CG-CE 4.08Å; R533-M536 PolarHBondContact O-N 3.1Å; R533-E537 PolarHBondContact O-N 3.47Å; R533-K660 HydrophobicContact CB-CD 4.15Å; R533-K660 PolarHBondContact NH1-O 3.49Å |
| 534 | E | 46.7 | Very low | 52.7 | Low | 63 Ų | 63 | 81.2 Ų | 81.2 | 29% | 0.294 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -72.8 | -40.6 | 174.2 | -101.3 | 179 | 138.5 | 0 | 0 | 111.3 | Q531 M536 E537 Q538 K660 | Q531-E534 PolarHBondContact O-N 3.47Å; E534-M536 VanDerWaalsContact C-N 3.3Å; E534-M536 PolarHBondContact O-N 2.88Å; E534-E537 PolarHBondContact O-N 3.43Å; E534-Q538 PolarHBondContact O-N 3.08Å; E534-K660 VanDerWaalsContact CD-NZ 3.33Å; E534-K660 VanDerWaalsContact CG-NZ 3.31Å; E534-K660 IonicContact OE2-NZ 2.89Å; E534-K660 PolarHBondContact OE2-NZ 2.79Å |
| 535 | N | 52.5 | Low | 55.9 | Low | 55 Ų | 55 | 77.6 Ų | 77.6 | 29% | 0.294 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 172.6 | -68.2 | -11.3 | 0 | 0 | 0 | 109.5 | Q531 Q538 F539 | Q531-N535 VanDerWaalsContact O-CB 3.23Å; Q531-N535 WeakPolarHBondContact O-CB 3.35Å; Q531-N535 PolarHBondContact O-N 3.27Å; N535-Q538 WeakPolarHBondContact O-CB 3.4Å; N535-Q538 PolarHBondContact O-N 3.27Å; N535-F539 HydrophobicContact CB-CE2 4.2Å; N535-F539 WeakPolarHBondContact O-CD2 3.33Å; N535-F539 WeakPolarHBondContact O-CE2 3.34Å; N535-F539 PolarHBondContact O-N 3.5Å |
| 536 | M | 54.8 | Low | 59.3 | Low | 76 Ų | 76 | 74.5 Ų | 74.5 | 37% | 0.374 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 172.9 | -84.2 | -169.5 | -65.7 | 0 | 0 | 113.1 | N532 R533 E534 Q538 F539 V540 | N532-M536 HydrophobicContact CB-CE 4.35Å; N532-M536 WeakPolarHBondContact O-CA 3.39Å; N532-M536 WeakPolarHBondContact O-CB 3.37Å; N532-M536 WeakPolarHBondContact O-CE 3.47Å; N532-M536 WeakPolarHBondContact O-CG 3.43Å; N532-M536 PolarHBondContact O-N 2.77Å; R533-M536 HydrophobicContact CG-CE 4.08Å; R533-M536 PolarHBondContact O-N 3.1Å; E534-M536 VanDerWaalsContact C-N 3.3Å; E534-M536 PolarHBondContact O-N 2.88Å; M536-Q538 PolarHBondContact O-N 2.82Å; M536-F539 CarbonylContact O-C 3.58Å; M536-F539 PolarHBondContact O-N 3.4Å; M536-V540 VanDerWaalsContact O-CB 3.29Å; M536-V540 WeakPolarHBondContact O-CB 3.13Å; M536-V540 WeakPolarHBondContact O-CG2 3.47Å; M536-V540 PolarHBondContact O-N 2.87Å |
| 537 | E | 66.2 | Low | 62.4 | Low | 29 Ų | 29 | 67.5 Ų | 67.5 | 14% | 0.136 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.6 | -41.4 | 174.3 | -92.3 | -171.1 | -139.6 | 0 | 0 | 111.1 | R533 E534 F539 V540 L541 S677 M678 F890 | R533-E537 PolarHBondContact O-N 3.47Å; E534-E537 PolarHBondContact O-N 3.43Å; E537-F539 VanDerWaalsContact C-N 3.31Å; E537-F539 PolarHBondContact O-N 3.41Å; E537-V540 PolarHBondContact O-N 3.22Å; E537-L541 HydrophobicContact CB-CD1 4.29Å; E537-L541 HydrophobicContact CG-CD1 4.15Å; E537-L541 WeakPolarHBondContact O-CB 3.48Å; E537-L541 PolarHBondContact O-N 3.04Å; E537-S677 PolarHBondContact OE2-OG 3.05Å; E537-M678 VanDerWaalsContact OE1-CB 3.26Å; E537-M678 WeakPolarHBondContact OE1-CB 3.48Å; E537-M678 PolarHBondContact OE2-N 2.89Å; E537-F890 HydrophobicContact CB-CD2 4.37Å; E537-F890 HydrophobicContact CB-CE2 4.3Å |
| 538 | Q | 64.3 | Low | 65.4 | Low | 75 Ų | 75 | 66.5 Ų | 66.5 | 35% | 0.35 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.1 | -42.3 | 172.7 | -168.2 | 178.8 | -5.4 | 0 | 0 | 110.3 | E534 N535 M536 K599 F890 | E534-Q538 PolarHBondContact O-N 3.08Å; N535-Q538 WeakPolarHBondContact O-CB 3.4Å; N535-Q538 PolarHBondContact O-N 3.27Å; M536-Q538 PolarHBondContact O-N 2.82Å; Q538-K599 HydrophobicContact CG-CD 3.73Å; Q538-K599 HydrophobicContact CG-CG 4.01Å; Q538-K599 WeakPolarHBondContact O-CE 3.31Å; Q538-K599 PolarHBondContact O-NZ 3.4Å; Q538-F890 HydrophobicContact CB-CD2 4.28Å; Q538-F890 HydrophobicContact CB-CE2 3.8Å; Q538-F890 HydrophobicContact CB-CZ 4.05Å; Q538-F890 HydrophobicContact CG-CE1 4.48Å; Q538-F890 HydrophobicContact CG-CE2 4.35Å; Q538-F890 HydrophobicContact CG-CZ 4.21Å |
| 539 | F | 66.6 | Low | 68.6 | Low | 139 Ų | 139 | 63.2 Ų | 63.2 | 61% | 0.61 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -74 | -28.7 | 178.1 | -65.5 | -64.6 | 0 | 0 | 0 | 114.3 | F448 N535 M536 E537 | F448-F539 WeakPolarHBondContact CD1-O 3.31Å; F448-F539 VanDerWaalsContact CE1-O 3.27Å; F448-F539 WeakPolarHBondContact CE1-O 3.38Å; N535-F539 HydrophobicContact CB-CE2 4.2Å; N535-F539 WeakPolarHBondContact O-CD2 3.33Å; N535-F539 WeakPolarHBondContact O-CE2 3.34Å; N535-F539 PolarHBondContact O-N 3.5Å; M536-F539 CarbonylContact O-C 3.58Å; M536-F539 PolarHBondContact O-N 3.4Å; E537-F539 VanDerWaalsContact C-N 3.31Å; E537-F539 PolarHBondContact O-N 3.41Å |
| 540 | V | 75 | Confident | 71.6 | Confident | 16 Ų | 16 | 56.6 Ų | 56.6 | 10% | 0.097 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -86.5 | -42.9 | -174.6 | 165.2 | 0 | 0 | 0 | 0 | 112.5 | F448 D449 N450 M536 E537 K675 | F448-V540 WeakPolarHBondContact CB-O 3.29Å; D449-V540 WeakPolarHBondContact OD1-CG1 3.05Å; N450-V540 WeakPolarHBondContact OD1-CG2 3.41Å; M536-V540 VanDerWaalsContact O-CB 3.29Å; M536-V540 WeakPolarHBondContact O-CB 3.13Å; M536-V540 WeakPolarHBondContact O-CG2 3.47Å; M536-V540 PolarHBondContact O-N 2.87Å; E537-V540 PolarHBondContact O-N 3.22Å; V540-K675 HydrophobicContact CG1-CD 4.31Å |
| 541 | L | 82.9 | Confident | 74.4 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -88.7 | 139 | -173.2 | -62.5 | 171.5 | 0 | 0 | 0 | 110.7 | E537 K599 K675 S677 F890 | E537-L541 HydrophobicContact CB-CD1 4.29Å; E537-L541 HydrophobicContact CG-CD1 4.15Å; E537-L541 WeakPolarHBondContact O-CB 3.48Å; E537-L541 PolarHBondContact O-N 3.04Å; L541-K599 WeakPolarHBondContact O-CE 3.47Å; L541-K675 HydrophobicContact CD2-CB 4.24Å; L541-K675 VanDerWaalsContact CD2-O 3.3Å; L541-K675 WeakPolarHBondContact CD2-O 3.23Å; L541-S677 VanDerWaalsContact CD1-CA 3.42Å; L541-F890 HydrophobicContact CB-CB 3.94Å |
| 542 | Q | 87.5 | Confident | 77.2 | Confident | 92 Ų | 92 | 55.4 Ų | 55.4 | 43% | 0.43 | 28% | 0.284 | S | S | . | . | B | Isolated β-bridge | trans | -72.4 | 154.4 | 177.9 | -64.4 | -178.1 | -2.3 | 0 | 0 | 110.8 | F889 F890 | Q542-F889 HydrophobicContact CB-CD1 4.23Å; Q542-F889 VanDerWaalsContact O-CA 3.31Å; Q542-F889 WeakPolarHBondContact O-CA 3.36Å; Q542-F890 PolarHBondContact O-N 2.98Å |
| 543 | S | 89.5 | Confident | 79.7 | Confident | 48 Ų | 48 | 51.2 Ų | 51.2 | 34% | 0.336 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 146.3 | 167.1 | -55.1 | 0 | 0 | 0 | 0 | 109.8 | K599 F889 | S543-K599 WeakPolarHBondContact CA-O 3.48Å; S543-K599 WeakPolarHBondContact CB-O 3.39Å; S543-K599 PolarHBondContact OG-O 3.25Å; S543-F889 WeakPolarHBondContact O-CD1 3.5Å |
| 544 | P | 92.2 | Very high | 82.1 | Confident | 7 Ų | 7 | 47.4 Ų | 47.4 | 5% | 0.045 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 132.6 | 169.9 | -19.5 | 30.2 | 0 | 0 | 0 | 110.4 | K599 W601 I602 F889 | P544-K599 WeakPolarHBondContact CD-O 3.47Å; P544-W601 PolarHBondContact O-NE1 3.35Å; P544-I602 HydrophobicContact CB-CG2 4.25Å; P544-I602 HydrophobicContact CG-CG2 4.05Å; P544-F889 HydrophobicContact CB-CB 4.34Å; P544-F889 HydrophobicContact CB-CD2 4.41Å; P544-F889 HydrophobicContact CB-CG 4.2Å; P544-F889 HydrophobicContact CG-CB 3.73Å; P544-F889 HydrophobicContact CG-CG 4.13Å |
| 545 | P | 93.5 | Very high | 84.2 | Confident | 30 Ų | 30 | 47 Ų | 47 | 20% | 0.195 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 153 | 176.5 | 29.6 | -34.5 | 0 | 0 | 0 | 110.4 | P547 W601 F889 T956 Y958 | P545-P547 WeakPolarHBondContact O-CD 3.36Å; P545-W601 VanDerWaalsContact O-CZ2 3.29Å; P545-W601 WeakPolarHBondContact O-CZ2 3.31Å; P545-F889 HydrophobicContact CG-CZ 4.36Å; P545-T956 WeakPolarHBondContact CG-O 3.48Å; P545-Y958 HydrophobicContact CG-CD2 4.47Å; P545-Y958 HydrophobicContact CG-CE2 4.07Å |
| 546 | V | 95.9 | Very high | 86 | Confident | 28 Ų | 28 | 44.3 Ų | 44.3 | 17% | 0.17 | 24% | 0.241 | C | C | . | . | trans | -92.9 | 113.5 | 166.1 | -179.3 | 0 | 0 | 0 | 0 | 107 | L591 K592 A595 W601 | V546-L591 HydrophobicContact CG1-CD2 3.86Å; V546-L591 HydrophobicContact CG1-CG 4.11Å; V546-L591 HydrophobicContact CG2-CG 4.44Å; V546-K592 HydrophobicContact CB-CG 4.46Å; V546-K592 HydrophobicContact CG1-CG 4.2Å; V546-A595 HydrophobicContact CG2-CB 3.49Å; V546-A595 VanDerWaalsContact CG2-CB 3.49Å; V546-W601 HydrophobicContact CG2-CD2 4.37Å; V546-W601 HydrophobicContact CG2-CZ2 4.14Å | ||
| 547 | P | 95.3 | Very high | 87.7 | Confident | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.032 | 23% | 0.231 | C | C | . | . | trans | -61.2 | 156.3 | 179.4 | -21.6 | 33.3 | 0 | 0 | 0 | 111.8 | P545 Q588 G957 Y958 H963 | P545-P547 WeakPolarHBondContact O-CD 3.36Å; P547-Q588 PolarHBondContact O-NE2 2.98Å; P547-G957 WeakPolarHBondContact CG-O 3.41Å; P547-Y958 HydrophobicContact CB-CD1 4.32Å; P547-H963 HydrophobicContact CG-CB 4.24Å; P547-H963 PolarHBondContact O-CE1 3.39Å | ||
| 548 | D | 95.7 | Very high | 88.6 | Confident | 86 Ų | 86 | 45.3 Ų | 45.3 | 46% | 0.46 | 25% | 0.249 | S | C | . | . | trans | -68.8 | 140.5 | 172.3 | -82.5 | -50.2 | 0 | 0 | 0 | 111.1 | S550 D551 T552 K592 | D548-S550 PolarHBondContact O-N 3.45Å; D548-D551 HydrophobicContact CB-CB 4.43Å; D548-D551 PolarHBondContact O-N 3.28Å; D548-T552 PolarHBondContact O-N 3.38Å; D548-T552 PolarHBondContact O-OG1 3.31Å; D548-K592 IonicContact OD1-NZ 3.92Å | ||
| 549 | L | 96.2 | Very high | 89.3 | Confident | 18 Ų | 18 | 43.4 Ų | 43.4 | 9% | 0.094 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.5 | -47.1 | -176.2 | 179.8 | 65.1 | 0 | 0 | 0 | 110.7 | D551 T552 L553 F579 G584 Q588 L967 | L549-D551 VanDerWaalsContact C-N 3.27Å; L549-D551 PolarHBondContact O-N 3.11Å; L549-T552 PolarHBondContact O-N 3.01Å; L549-L553 HydrophobicContact CD1-CD1 3.98Å; L549-L553 HydrophobicContact CD1-CD2 4.38Å; L549-L553 HydrophobicContact CD1-CG 3.98Å; L549-L553 HydrophobicContact CD2-CD1 4.5Å; L549-L553 HydrophobicContact CG-CD1 3.9Å; L549-L553 HydrophobicContact CG-CG 4.23Å; L549-L553 WeakPolarHBondContact O-CB 3.49Å; L549-L553 VanDerWaalsContact O-CG 3.26Å; L549-L553 WeakPolarHBondContact O-CG 3.46Å; L549-L553 PolarHBondContact O-N 3.39Å; L549-F579 HydrophobicContact CD1-CE1 4.35Å; L549-G584 VanDerWaalsContact CD2-C 3.42Å; L549-Q588 HydrophobicContact CB-CG 4.16Å; L549-Q588 HydrophobicContact CD2-CB 4.39Å; L549-L967 HydrophobicContact CD1-CD1 3.89Å |
| 550 | S | 94.9 | Very high | 90.1 | Very high | 78 Ų | 78 | 36.8 Ų | 36.8 | 55% | 0.545 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -55.7 | -43.5 | 178.8 | 51.8 | 0 | 0 | 0 | 0 | 112.1 | D548 L553 A554 | D548-S550 PolarHBondContact O-N 3.45Å; S550-L553 PolarHBondContact O-N 3.12Å; S550-A554 VanDerWaalsContact O-CB 3.29Å; S550-A554 WeakPolarHBondContact O-CB 3.28Å; S550-A554 PolarHBondContact O-N 3.41Å |
| 551 | D | 93.6 | Very high | 90.4 | Very high | 86 Ų | 86 | 42.4 Ų | 42.4 | 46% | 0.46 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -69.3 | -41.7 | -177.5 | -67.8 | 4.3 | 0 | 0 | 0 | 110.6 | D548 L549 A554 K555 | D548-D551 HydrophobicContact CB-CB 4.43Å; D548-D551 PolarHBondContact O-N 3.28Å; L549-D551 VanDerWaalsContact C-N 3.27Å; L549-D551 PolarHBondContact O-N 3.11Å; D551-A554 PolarHBondContact O-N 3.06Å; D551-K555 WeakPolarHBondContact O-CB 3.47Å; D551-K555 VanDerWaalsContact O-CG 3.26Å; D551-K555 WeakPolarHBondContact O-CG 3.39Å; D551-K555 PolarHBondContact O-N 3.26Å |
| 552 | T | 94.8 | Very high | 90 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.8 | -47.4 | 176.9 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | D548 L549 K555 Y556 I960 H963 L964 | D548-T552 PolarHBondContact O-N 3.38Å; D548-T552 PolarHBondContact O-OG1 3.31Å; L549-T552 PolarHBondContact O-N 3.01Å; T552-K555 PolarHBondContact O-N 3.25Å; T552-Y556 WeakPolarHBondContact O-CB 3.26Å; T552-Y556 PolarHBondContact O-N 3.2Å; T552-I960 HydrophobicContact CG2-CB 3.96Å; T552-I960 HydrophobicContact CG2-CG2 4Å; T552-H963 HydrophobicContact CG2-CB 4.18Å; T552-H963 PolarHBondContact OG1-ND1 2.84Å; T552-L964 HydrophobicContact CG2-CD2 3.98Å; T552-L964 HydrophobicContact CG2-CG 3.93Å |
| 553 | L | 94.6 | Very high | 89.1 | Confident | 7 Ų | 7 | 43.3 Ų | 43.3 | 4% | 0.037 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.4 | -38.9 | 179.9 | -66.3 | -175.8 | 0 | 0 | 0 | 111.9 | L549 S550 Y556 L557 L576 F579 A580 L964 F981 | L549-L553 HydrophobicContact CD1-CD1 3.98Å; L549-L553 HydrophobicContact CD1-CD2 4.38Å; L549-L553 HydrophobicContact CD1-CG 3.98Å; L549-L553 HydrophobicContact CD2-CD1 4.5Å; L549-L553 HydrophobicContact CG-CD1 3.9Å; L549-L553 HydrophobicContact CG-CG 4.23Å; L549-L553 WeakPolarHBondContact O-CB 3.49Å; L549-L553 VanDerWaalsContact O-CG 3.26Å; L549-L553 WeakPolarHBondContact O-CG 3.46Å; L549-L553 PolarHBondContact O-N 3.39Å; S550-L553 PolarHBondContact O-N 3.12Å; L553-Y556 PolarHBondContact O-N 2.97Å; L553-L557 WeakPolarHBondContact O-CB 3.21Å; L553-L557 PolarHBondContact O-N 3.5Å; L553-L576 HydrophobicContact CB-CD1 4.17Å; L553-L576 HydrophobicContact CB-CD2 3.93Å; L553-L576 HydrophobicContact CB-CG 4.23Å; L553-L576 HydrophobicContact CD1-CD2 4.32Å; L553-L576 HydrophobicContact CD1-CG 4.41Å; L553-L576 HydrophobicContact CD2-CD1 4.07Å; L553-L576 HydrophobicContact CD2-CG 4.13Å; L553-L576 HydrophobicContact CG-CG 4.49Å; L553-F579 HydrophobicContact CD1-CD1 4.27Å; L553-F579 HydrophobicContact CD2-CD1 4.21Å; L553-F579 HydrophobicContact CD2-CE1 4.33Å; L553-A580 HydrophobicContact CD1-CB 3.66Å; L553-L964 HydrophobicContact CD2-CD2 4.42Å; L553-F981 HydrophobicContact CD2-CZ 4.38Å |
| 554 | A | 92.5 | Very high | 88.4 | Confident | 52 Ų | 52 | 42.2 Ų | 42.2 | 43% | 0.43 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.8 | -43 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S550 D551 L557 N558 | S550-A554 VanDerWaalsContact O-CB 3.29Å; S550-A554 WeakPolarHBondContact O-CB 3.28Å; S550-A554 PolarHBondContact O-N 3.41Å; D551-A554 PolarHBondContact O-N 3.06Å; A554-L557 PolarHBondContact O-N 2.91Å; A554-N558 PolarHBondContact O-N 3.07Å |
| 555 | K | 90.5 | Very high | 87.8 | Confident | 53 Ų | 53 | 46.4 Ų | 46.4 | 23% | 0.23 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 175.4 | -73.6 | 177.9 | -166.2 | -170 | 0 | 112 | D551 T552 L557 N558 Y559 E953 Y958 I960 | D551-K555 WeakPolarHBondContact O-CB 3.47Å; D551-K555 VanDerWaalsContact O-CG 3.26Å; D551-K555 WeakPolarHBondContact O-CG 3.39Å; D551-K555 PolarHBondContact O-N 3.26Å; T552-K555 PolarHBondContact O-N 3.25Å; K555-L557 VanDerWaalsContact C-N 3.34Å; K555-L557 PolarHBondContact O-N 2.7Å; K555-N558 PolarHBondContact O-N 3.21Å; K555-Y559 PolarHBondContact O-N 3.12Å; K555-E953 WeakPolarHBondContact CE-OE2 3.46Å; K555-E953 VanDerWaalsContact NZ-CD 3.29Å; K555-E953 IonicContact NZ-OE1 3.26Å; K555-E953 IonicContact NZ-OE2 3.5Å; K555-E953 PolarHBondContact NZ-OE2 3.32Å; K555-Y958 PolarHBondContact NZ-O 2.95Å; K555-I960 HydrophobicContact CB-CG2 3.56Å; K555-I960 HydrophobicContact CD-CG2 3.88Å; K555-I960 HydrophobicContact CG-CG2 4.38Å |
| 556 | Y | 90.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.3 | -46.9 | 173 | 172 | -96.2 | 0 | 0 | 0 | 111.3 | T552 L553 N558 Y559 V560 V572 L576 L964 F981 F987 M990 | T552-Y556 WeakPolarHBondContact O-CB 3.26Å; T552-Y556 PolarHBondContact O-N 3.2Å; L553-Y556 PolarHBondContact O-N 2.97Å; Y556-N558 VanDerWaalsContact C-N 3.32Å; Y556-N558 PolarHBondContact O-N 2.79Å; Y556-Y559 WeakPolarHBondContact O-CB 3.28Å; Y556-Y559 PolarHBondContact O-N 3.48Å; Y556-Y559 VanDerWaalsContact O-N 3.08Å; Y556-V560 HydrophobicContact CD1-CG2 4Å; Y556-V560 HydrophobicContact CD2-CG2 4.3Å; Y556-V560 HydrophobicContact CE1-CG2 3.49Å; Y556-V560 VanDerWaalsContact CE1-CG2 3.49Å; Y556-V560 HydrophobicContact CE2-CG2 3.82Å; Y556-V560 HydrophobicContact CG-CG2 4.4Å; Y556-V560 VanDerWaalsContact CZ-CG2 3.4Å; Y556-V560 WeakPolarHBondContact O-CG2 3.26Å; Y556-V560 PolarHBondContact O-N 3.02Å; Y556-V572 HydrophobicContact CE1-CG1 3.83Å; Y556-L576 HydrophobicContact CD1-CD1 3.38Å; Y556-L576 HydrophobicContact CE1-CD1 3.9Å; Y556-L576 HydrophobicContact CG-CD1 4.43Å; Y556-L964 HydrophobicContact CD2-CD1 3.96Å; Y556-L964 HydrophobicContact CG-CD1 4.43Å; Y556-F981 HydrophobicContact CD1-CE2 4.02Å; Y556-F981 HydrophobicContact CD1-CZ 4.32Å; Y556-F981 AromaticContact CE1-CE2 3.54Å; Y556-F981 HydrophobicContact CE1-CE2 3.54Å; Y556-F981 HydrophobicContact CE1-CZ 4.15Å; Y556-F981 AromaticContact CZ-CE2 3.89Å; Y556-F987 HydrophobicContact CE2-CD2 4.37Å; Y556-M990 HydrophobicContact CD2-CG 4.39Å; Y556-M990 HydrophobicContact CD2-SD 3.43Å; Y556-M990 WeakPolarHBondContact CD2-SD 3.36Å; Y556-M990 HydrophobicContact CE2-CB 4.41Å; Y556-M990 HydrophobicContact CE2-CG 4.01Å; Y556-M990 HydrophobicContact CE2-SD 3.49Å; Y556-M990 WeakPolarHBondContact CE2-SD 3.46Å |
| 557 | L | 89.3 | Confident | 86.9 | Confident | 29 Ų | 29 | 60 Ų | 60 | 15% | 0.152 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63 | -39.7 | 179.2 | -169.4 | 66 | 0 | 0 | 0 | 111.7 | L553 A554 K555 Y559 V560 K561 F569 K573 | L553-L557 WeakPolarHBondContact O-CB 3.21Å; L553-L557 PolarHBondContact O-N 3.5Å; A554-L557 PolarHBondContact O-N 2.91Å; K555-L557 VanDerWaalsContact C-N 3.34Å; K555-L557 PolarHBondContact O-N 2.7Å; L557-Y559 VanDerWaalsContact C-N 3.29Å; L557-Y559 PolarHBondContact O-N 2.95Å; L557-V560 PolarHBondContact O-N 3.29Å; L557-K561 PolarHBondContact O-N 3.08Å; L557-K561 VanDerWaalsContact O-N 3.09Å; L557-F569 HydrophobicContact CD1-CD2 4.27Å; L557-F569 HydrophobicContact CD1-CE2 3.53Å; L557-F569 HydrophobicContact CD1-CZ 3.69Å; L557-F569 HydrophobicContact CD2-CZ 4.11Å; L557-F569 HydrophobicContact CG-CE2 3.76Å; L557-F569 HydrophobicContact CG-CZ 3.7Å; L557-F569 WeakPolarHBondContact O-CE2 3.45Å; L557-K573 HydrophobicContact CD1-CB 4Å; L557-K573 HydrophobicContact CD1-CG 4.26Å; L557-K573 HydrophobicContact CD2-CD 4.32Å; L557-K573 HydrophobicContact CD2-CG 4.02Å |
| 558 | N | 84.9 | Confident | 86.3 | Confident | 97 Ų | 97 | 62.1 Ų | 62.1 | 52% | 0.519 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.6 | -37.1 | 173 | -82.2 | -23.7 | 0 | 0 | 0 | 112.7 | A554 K555 Y556 K561 | A554-N558 PolarHBondContact O-N 3.07Å; K555-N558 PolarHBondContact O-N 3.21Å; Y556-N558 VanDerWaalsContact C-N 3.32Å; Y556-N558 PolarHBondContact O-N 2.79Å; N558-K561 WeakPolarHBondContact O-CB 3.3Å |
| 559 | Y | 80.4 | Confident | 85.9 | Confident | 34 Ų | 34 | 60.4 Ų | 60.4 | 13% | 0.133 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.5 | -46 | 174.6 | 176.3 | -104.3 | 0 | 0 | 0 | 112 | K555 Y556 L557 K561 V562 L563 R898 A900 M990 | K555-Y559 PolarHBondContact O-N 3.12Å; Y556-Y559 WeakPolarHBondContact O-CB 3.28Å; Y556-Y559 PolarHBondContact O-N 3.48Å; Y556-Y559 VanDerWaalsContact O-N 3.08Å; L557-Y559 VanDerWaalsContact C-N 3.29Å; L557-Y559 PolarHBondContact O-N 2.95Å; Y559-K561 PolarHBondContact O-N 3.17Å; Y559-V562 WeakPolarHBondContact O-CB 3.45Å; Y559-V562 PolarHBondContact O-N 3.5Å; Y559-V562 VanDerWaalsContact O-N 3.08Å; Y559-L563 HydrophobicContact CD1-CD1 4.14Å; Y559-L563 HydrophobicContact CE1-CD1 3.31Å; Y559-L563 HydrophobicContact CE1-CG 4.3Å; Y559-L563 HydrophobicContact CE2-CD1 4.35Å; Y559-L563 VanDerWaalsContact CZ-CD1 3.44Å; Y559-L563 WeakPolarHBondContact OH-CD1 3.29Å; Y559-R898 HydrophobicContact CD2-CB 4.01Å; Y559-R898 HydrophobicContact CD2-CG 4.37Å; Y559-R898 HydrophobicContact CE2-CB 4.04Å; Y559-R898 HydrophobicContact CE2-CG 4.21Å; Y559-R898 PolarHBondContact OH-NH1 3.09Å; Y559-A900 HydrophobicContact CE2-CB 4.35Å; Y559-M990 HydrophobicContact CD1-CG 4.09Å; Y559-M990 HydrophobicContact CE1-CG 3.77Å |
| 560 | V | 83.1 | Confident | 85.6 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.006 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.9 | -35.3 | 179.3 | 172.2 | 0 | 0 | 0 | 0 | 111.8 | Y556 L557 V562 L563 C564 F569 V572 Q986 | Y556-V560 HydrophobicContact CD1-CG2 4Å; Y556-V560 HydrophobicContact CD2-CG2 4.3Å; Y556-V560 HydrophobicContact CE1-CG2 3.49Å; Y556-V560 VanDerWaalsContact CE1-CG2 3.49Å; Y556-V560 HydrophobicContact CE2-CG2 3.82Å; Y556-V560 HydrophobicContact CG-CG2 4.4Å; Y556-V560 VanDerWaalsContact CZ-CG2 3.4Å; Y556-V560 WeakPolarHBondContact O-CG2 3.26Å; Y556-V560 PolarHBondContact O-N 3.02Å; L557-V560 PolarHBondContact O-N 3.29Å; V560-V562 PolarHBondContact O-N 3.33Å; V560-L563 PolarHBondContact O-N 2.87Å; V560-C564 WeakPolarHBondContact CG1-SG 3.42Å; V560-C564 PolarHBondContact O-N 2.96Å; V560-C564 PolarHBondContact O-SG 3.47Å; V560-F569 HydrophobicContact CG1-CD2 4.17Å; V560-V572 HydrophobicContact CG1-CB 4.41Å; V560-V572 HydrophobicContact CG1-CG1 4.14Å; V560-V572 HydrophobicContact CG2-CG1 4.38Å; V560-Q986 HydrophobicContact CG1-CG 3.96Å; V560-Q986 HydrophobicContact CG2-CG 4.1Å |
| 561 | K | 79.8 | Confident | 85.4 | Confident | 134 Ų | 134 | 64.2 Ų | 64.2 | 58% | 0.583 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -54.6 | -26.5 | 177.1 | -167.1 | 177.6 | 177.8 | -176.5 | 0 | 114 | L557 N558 Y559 F569 | L557-K561 PolarHBondContact O-N 3.08Å; L557-K561 VanDerWaalsContact O-N 3.09Å; N558-K561 WeakPolarHBondContact O-CB 3.3Å; Y559-K561 PolarHBondContact O-N 3.17Å; K561-F569 HydrophobicContact CB-CD2 4.11Å; K561-F569 HydrophobicContact CB-CE2 3.74Å; K561-F569 HydrophobicContact CG-CD2 4.48Å; K561-F569 HydrophobicContact CG-CE2 4.18Å |
| 562 | V | 74.6 | Confident | 85.1 | Confident | 31 Ų | 31 | 60.3 Ų | 60.3 | 19% | 0.188 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -84.9 | -24.9 | -179.3 | -173.7 | 0 | 0 | 0 | 0 | 111.8 | Y559 V560 P902 L905 | Y559-V562 WeakPolarHBondContact O-CB 3.45Å; Y559-V562 PolarHBondContact O-N 3.5Å; Y559-V562 VanDerWaalsContact O-N 3.08Å; V560-V562 PolarHBondContact O-N 3.33Å; V562-P902 HydrophobicContact CG2-CB 4.3Å; V562-P902 HydrophobicContact CG2-CG 3.66Å; V562-L905 HydrophobicContact CG1-CB 4.15Å; V562-L905 HydrophobicContact CG1-CD2 3.99Å |
| 563 | L | 69.9 | Low | 85 | Confident | 83 Ų | 83 | 64.4 Ų | 64.4 | 44% | 0.435 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -101.9 | -22 | -168.7 | -68 | -175.9 | 0 | 0 | 0 | 114.9 | Y559 V560 | Y559-L563 HydrophobicContact CD1-CD1 4.14Å; Y559-L563 HydrophobicContact CE1-CD1 3.31Å; Y559-L563 HydrophobicContact CE1-CG 4.3Å; Y559-L563 HydrophobicContact CE2-CD1 4.35Å; Y559-L563 VanDerWaalsContact CZ-CD1 3.44Å; Y559-L563 WeakPolarHBondContact OH-CD1 3.29Å; V560-L563 PolarHBondContact O-N 2.87Å |
| 564 | C | 74 | Confident | 84.9 | Confident | 26 Ų | 26 | 68.9 Ų | 68.9 | 18% | 0.176 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -126.1 | 161.5 | -172.5 | 72.6 | 0 | 0 | 0 | 0 | 113 | V560 T568 F569 | V560-C564 WeakPolarHBondContact CG1-SG 3.42Å; V560-C564 PolarHBondContact O-N 2.96Å; V560-C564 PolarHBondContact O-SG 3.47Å; C564-T568 HydrophobicContact CB-CG2 3.82Å; C564-F569 PolarHBondContact SG-N 3.48Å |
| 565 | D | 79.3 | Confident | 84.9 | Confident | 94 Ų | 94 | 68.3 Ų | 68.3 | 50% | 0.503 | 34% | 0.34 | S | S | . | . | trans | -69.5 | 171.9 | 171.5 | 61 | 28.5 | 0 | 0 | 0 | 112.2 | E567 T568 F569 | D565-E567 VanDerWaalsContact C-N 3.29Å; D565-E567 PolarHBondContact O-N 2.94Å; D565-E567 PolarHBondContact OD1-N 2.95Å; D565-T568 WeakPolarHBondContact OD1-CB 3.45Å; D565-T568 PolarHBondContact OD1-N 2.82Å; D565-T568 PolarHBondContact OD1-OG1 3.24Å; D565-F569 VanDerWaalsContact O-CB 3.27Å; D565-F569 WeakPolarHBondContact O-CB 3.31Å; D565-F569 PolarHBondContact O-N 2.88Å | ||
| 566 | Q | 82.7 | Confident | 84.9 | Confident | 180 Ų | 180 | 66.2 Ų | 66.2 | 84% | 0.841 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -64.4 | -32.2 | -177 | -71.3 | -170.8 | -10.9 | 0 | 0 | 113.3 | A570 | Q566-A570 WeakPolarHBondContact O-CB 3.46Å; Q566-A570 PolarHBondContact O-N 2.78Å; Q566-A570 VanDerWaalsContact O-N 3.07Å |
| 567 | E | 87.6 | Confident | 85.1 | Confident | 165 Ų | 165 | 69.9 Ų | 69.9 | 77% | 0.771 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -70.5 | -49.1 | -179.6 | -174.5 | 177.9 | 172.2 | 0 | 0 | 110.8 | D565 F569 A570 K571 | D565-E567 VanDerWaalsContact C-N 3.29Å; D565-E567 PolarHBondContact O-N 2.94Å; D565-E567 PolarHBondContact OD1-N 2.95Å; E567-F569 VanDerWaalsContact C-N 3.31Å; E567-F569 PolarHBondContact O-N 3.28Å; E567-A570 PolarHBondContact O-N 2.87Å; E567-K571 PolarHBondContact O-N 3.09Å; E567-K571 VanDerWaalsContact O-N 3.1Å |
| 568 | T | 84 | Confident | 85.3 | Confident | 49 Ų | 49 | 72.2 Ų | 72.2 | 30% | 0.301 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 176.2 | -53.8 | 0 | 0 | 0 | 0 | 110.8 | C564 D565 A570 K571 V572 | C564-T568 HydrophobicContact CB-CG2 3.82Å; D565-T568 WeakPolarHBondContact OD1-CB 3.45Å; D565-T568 PolarHBondContact OD1-N 2.82Å; D565-T568 PolarHBondContact OD1-OG1 3.24Å; T568-A570 PolarHBondContact O-N 3.18Å; T568-K571 PolarHBondContact O-N 2.69Å; T568-V572 HydrophobicContact CG2-CG2 4.34Å; T568-V572 VanDerWaalsContact O-CG2 3.3Å; T568-V572 WeakPolarHBondContact O-CG2 3.47Å; T568-V572 PolarHBondContact O-N 3.26Å |
| 569 | F | 87.2 | Confident | 85.8 | Confident | 49 Ų | 49 | 67.7 Ų | 67.7 | 22% | 0.215 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.5 | -46.2 | 175.9 | -179.8 | -95 | 0 | 0 | 0 | 111.7 | L557 V560 K561 C564 D565 E567 K571 V572 K573 | L557-F569 HydrophobicContact CD1-CD2 4.27Å; L557-F569 HydrophobicContact CD1-CE2 3.53Å; L557-F569 HydrophobicContact CD1-CZ 3.69Å; L557-F569 HydrophobicContact CD2-CZ 4.11Å; L557-F569 HydrophobicContact CG-CE2 3.76Å; L557-F569 HydrophobicContact CG-CZ 3.7Å; L557-F569 WeakPolarHBondContact O-CE2 3.45Å; V560-F569 HydrophobicContact CG1-CD2 4.17Å; K561-F569 HydrophobicContact CB-CD2 4.11Å; K561-F569 HydrophobicContact CB-CE2 3.74Å; K561-F569 HydrophobicContact CG-CD2 4.48Å; K561-F569 HydrophobicContact CG-CE2 4.18Å; C564-F569 PolarHBondContact SG-N 3.48Å; D565-F569 VanDerWaalsContact O-CB 3.27Å; D565-F569 WeakPolarHBondContact O-CB 3.31Å; D565-F569 PolarHBondContact O-N 2.88Å; E567-F569 VanDerWaalsContact C-N 3.31Å; E567-F569 PolarHBondContact O-N 3.28Å; F569-K571 VanDerWaalsContact C-N 3.34Å; F569-K571 PolarHBondContact O-N 3.13Å; F569-V572 PolarHBondContact O-N 2.65Å; F569-K573 HydrophobicContact CE1-CD 4.47Å; F569-K573 WeakPolarHBondContact O-CB 3.34Å; F569-K573 PolarHBondContact O-N 3.19Å |
| 570 | A | 90.4 | Very high | 86.4 | Confident | 46 Ų | 46 | 68 Ų | 68 | 38% | 0.38 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q566 E567 T568 K573 N574 | Q566-A570 WeakPolarHBondContact O-CB 3.46Å; Q566-A570 PolarHBondContact O-N 2.78Å; Q566-A570 VanDerWaalsContact O-N 3.07Å; E567-A570 PolarHBondContact O-N 2.87Å; T568-A570 PolarHBondContact O-N 3.18Å; A570-K573 PolarHBondContact O-N 3.34Å; A570-N574 PolarHBondContact O-N 2.74Å; A570-N574 VanDerWaalsContact O-N 3.1Å; A570-N574 PolarHBondContact O-ND2 3.15Å |
| 571 | K | 89.8 | Confident | 86.9 | Confident | 130 Ų | 130 | 72 Ų | 72 | 57% | 0.565 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -62.2 | -50.5 | 175.5 | -177.6 | -179.3 | 173.3 | -176.2 | 0 | 111.9 | E567 T568 F569 K573 N574 E575 | E567-K571 PolarHBondContact O-N 3.09Å; E567-K571 VanDerWaalsContact O-N 3.1Å; T568-K571 PolarHBondContact O-N 2.69Å; F569-K571 VanDerWaalsContact C-N 3.34Å; F569-K571 PolarHBondContact O-N 3.13Å; K571-K573 VanDerWaalsContact C-N 3.27Å; K571-K573 PolarHBondContact O-N 2.7Å; K571-N574 PolarHBondContact O-N 3.23Å; K571-E575 WeakPolarHBondContact CE-OE1 3.31Å; K571-E575 PolarHBondContact O-N 3.07Å |
| 572 | V | 88 | Confident | 87.5 | Confident | 4 Ų | 4 | 71.9 Ų | 71.9 | 2% | 0.024 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63 | -37.6 | -179.7 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | Y556 V560 T568 F569 E575 L576 Q986 | Y556-V572 HydrophobicContact CE1-CG1 3.83Å; V560-V572 HydrophobicContact CG1-CB 4.41Å; V560-V572 HydrophobicContact CG1-CG1 4.14Å; V560-V572 HydrophobicContact CG2-CG1 4.38Å; T568-V572 HydrophobicContact CG2-CG2 4.34Å; T568-V572 VanDerWaalsContact O-CG2 3.3Å; T568-V572 WeakPolarHBondContact O-CG2 3.47Å; T568-V572 PolarHBondContact O-N 3.26Å; F569-V572 PolarHBondContact O-N 2.65Å; V572-E575 PolarHBondContact O-N 3.07Å; V572-L576 VanDerWaalsContact O-CB 3.24Å; V572-L576 WeakPolarHBondContact O-CB 3.38Å; V572-L576 PolarHBondContact O-N 3.12Å; V572-Q986 HydrophobicContact CG2-CB 3.65Å; V572-Q986 HydrophobicContact CG2-CG 3.84Å |
| 573 | K | 92.1 | Very high | 88.5 | Confident | 88 Ų | 88 | 72.5 Ų | 72.5 | 38% | 0.383 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.1 | -47.2 | 174.6 | -172.7 | -175.7 | 173.4 | -164.8 | 0 | 111.6 | L557 F569 A570 K571 E575 L576 D577 | L557-K573 HydrophobicContact CD1-CB 4Å; L557-K573 HydrophobicContact CD1-CG 4.26Å; L557-K573 HydrophobicContact CD2-CD 4.32Å; L557-K573 HydrophobicContact CD2-CG 4.02Å; F569-K573 HydrophobicContact CE1-CD 4.47Å; F569-K573 WeakPolarHBondContact O-CB 3.34Å; F569-K573 PolarHBondContact O-N 3.19Å; A570-K573 PolarHBondContact O-N 3.34Å; K571-K573 VanDerWaalsContact C-N 3.27Å; K571-K573 PolarHBondContact O-N 2.7Å; K573-E575 PolarHBondContact O-N 3.02Å; K573-L576 PolarHBondContact O-N 3.02Å; K573-D577 VanDerWaalsContact O-CG 3.32Å; K573-D577 PolarHBondContact O-N 2.98Å |
| 574 | N | 92.3 | Very high | 89.7 | Confident | 102 Ų | 102 | 68.5 Ų | 68.5 | 55% | 0.545 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.7 | -44.5 | 178.1 | -69.3 | -19.6 | 0 | 0 | 0 | 111.8 | A570 K571 L576 D577 D578 | A570-N574 PolarHBondContact O-N 2.74Å; A570-N574 VanDerWaalsContact O-N 3.1Å; A570-N574 PolarHBondContact O-ND2 3.15Å; K571-N574 PolarHBondContact O-N 3.23Å; N574-L576 VanDerWaalsContact C-N 3.27Å; N574-L576 PolarHBondContact O-N 3.31Å; N574-D577 PolarHBondContact O-N 3.36Å; N574-D578 WeakPolarHBondContact O-CB 3.4Å; N574-D578 PolarHBondContact O-N 2.87Å |
| 575 | E | 91.9 | Very high | 90.8 | Very high | 40 Ų | 40 | 70.1 Ų | 70.1 | 19% | 0.187 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.7 | -34.7 | 177.1 | -69.4 | 170.4 | -177.5 | 0 | 0 | 112.2 | K571 V572 K573 F579 N984 | K571-E575 WeakPolarHBondContact CE-OE1 3.31Å; K571-E575 PolarHBondContact O-N 3.07Å; V572-E575 PolarHBondContact O-N 3.07Å; K573-E575 PolarHBondContact O-N 3.02Å; E575-F579 WeakPolarHBondContact O-CB 3.06Å; E575-F579 PolarHBondContact O-N 2.8Å; E575-N984 VanDerWaalsContact OE2-CB 3.31Å; E575-N984 WeakPolarHBondContact OE2-CB 3.37Å; E575-N984 PolarHBondContact OE2-ND2 3.18Å |
| 576 | L | 92.3 | Very high | 91.6 | Very high | 8 Ų | 8 | 70.1 Ų | 70.1 | 4% | 0.042 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -75 | -39 | 177.6 | -179.2 | 150.1 | 0 | 0 | 0 | 112.5 | L553 Y556 V572 K573 N574 D578 F579 A580 F981 | L553-L576 HydrophobicContact CB-CD1 4.17Å; L553-L576 HydrophobicContact CB-CD2 3.93Å; L553-L576 HydrophobicContact CB-CG 4.23Å; L553-L576 HydrophobicContact CD1-CD2 4.32Å; L553-L576 HydrophobicContact CD1-CG 4.41Å; L553-L576 HydrophobicContact CD2-CD1 4.07Å; L553-L576 HydrophobicContact CD2-CG 4.13Å; L553-L576 HydrophobicContact CG-CG 4.49Å; Y556-L576 HydrophobicContact CD1-CD1 3.38Å; Y556-L576 HydrophobicContact CE1-CD1 3.9Å; Y556-L576 HydrophobicContact CG-CD1 4.43Å; V572-L576 VanDerWaalsContact O-CB 3.24Å; V572-L576 WeakPolarHBondContact O-CB 3.38Å; V572-L576 PolarHBondContact O-N 3.12Å; K573-L576 PolarHBondContact O-N 3.02Å; N574-L576 VanDerWaalsContact C-N 3.27Å; N574-L576 PolarHBondContact O-N 3.31Å; L576-D578 VanDerWaalsContact C-N 3.31Å; L576-F579 PolarHBondContact O-N 3.01Å; L576-A580 VanDerWaalsContact O-CB 3.31Å; L576-A580 WeakPolarHBondContact O-CB 3.45Å; L576-A580 PolarHBondContact O-N 3.44Å; L576-F981 HydrophobicContact CB-CD2 4.41Å; L576-F981 HydrophobicContact CD1-CE2 4.09Å |
| 577 | D | 93.3 | Very high | 92.3 | Very high | 77 Ų | 77 | 61.6 Ų | 61.6 | 41% | 0.412 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.7 | -39.4 | 173.6 | -71.5 | -23.6 | 0 | 0 | 0 | 110.7 | K573 N574 A580 S581 | K573-D577 VanDerWaalsContact O-CG 3.32Å; K573-D577 PolarHBondContact O-N 2.98Å; N574-D577 PolarHBondContact O-N 3.36Å; D577-A580 PolarHBondContact O-N 3.26Å; D577-S581 PolarHBondContact O-N 3.31Å; D577-S581 PolarHBondContact O-OG 3.37Å; D577-S581 VanDerWaalsContact O-OG 3.13Å |
| 578 | D | 93.7 | Very high | 92.8 | Very high | 78 Ų | 78 | 54.2 Ų | 54.2 | 42% | 0.417 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.7 | -47.3 | 172.5 | -89.6 | 10.6 | 0 | 0 | 0 | 112.1 | N574 L576 A580 S581 R582 | N574-D578 WeakPolarHBondContact O-CB 3.4Å; N574-D578 PolarHBondContact O-N 2.87Å; L576-D578 VanDerWaalsContact C-N 3.31Å; D578-A580 VanDerWaalsContact C-N 3.35Å; D578-A580 PolarHBondContact O-N 3.39Å; D578-S581 PolarHBondContact O-N 3.25Å; D578-S581 PolarHBondContact O-OG 2.92Å; D578-R582 WeakPolarHBondContact O-CB 3.47Å; D578-R582 PolarHBondContact O-N 3Å; D578-R582 IonicContact OD2-CZ 3.57Å; D578-R582 IonicContact OD2-NH2 3.34Å; D578-R582 PolarHBondContact OD2-NH2 3.31Å |
| 579 | F | 95.2 | Very high | 93.4 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.009 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 176.9 | 177 | -104.4 | 0 | 0 | 0 | 111.8 | L549 L553 E575 L576 S581 R582 E583 G584 L587 P979 F981 F982 | L549-F579 HydrophobicContact CD1-CE1 4.35Å; L553-F579 HydrophobicContact CD1-CD1 4.27Å; L553-F579 HydrophobicContact CD2-CD1 4.21Å; L553-F579 HydrophobicContact CD2-CE1 4.33Å; E575-F579 WeakPolarHBondContact O-CB 3.06Å; E575-F579 PolarHBondContact O-N 2.8Å; L576-F579 PolarHBondContact O-N 3.01Å; F579-S581 PolarHBondContact O-N 3.12Å; F579-R582 PolarHBondContact O-N 3.49Å; F579-E583 HydrophobicContact CD2-CB 4.06Å; F579-E583 HydrophobicContact CE2-CB 4.01Å; F579-E583 PolarHBondContact O-N 3.26Å; F579-G584 WeakPolarHBondContact O-CA 3.21Å; F579-G584 PolarHBondContact O-N 2.89Å; F579-L587 HydrophobicContact CE2-CD1 3.73Å; F579-L587 HydrophobicContact CZ-CD1 3.86Å; F579-P979 HydrophobicContact CD2-CB 4.18Å; F579-P979 HydrophobicContact CE2-CB 4.37Å; F579-P979 HydrophobicContact CE2-CG 4.5Å; F579-F981 HydrophobicContact CB-CB 3.91Å; F579-F981 HydrophobicContact CB-CG 4.31Å; F579-F981 AromaticContact CD1-CD1 3.94Å; F579-F981 HydrophobicContact CD1-CD1 3.94Å; F579-F981 HydrophobicContact CD1-CE1 4.38Å; F579-F981 HydrophobicContact CD1-CG 4.39Å; F579-F981 HydrophobicContact CD2-CB 4.24Å; F579-F981 HydrophobicContact CD2-CD1 4.29Å; F579-F981 HydrophobicContact CE1-CD1 4.12Å; F579-F981 HydrophobicContact CE1-CE1 4.33Å; F579-F981 HydrophobicContact CE2-CD1 4.44Å; F579-F981 HydrophobicContact CG-CB 4.06Å; F579-F981 HydrophobicContact CG-CD1 4.03Å; F579-F981 HydrophobicContact CG-CG 4.19Å; F579-F981 HydrophobicContact CZ-CD1 4.36Å; F579-F982 HydrophobicContact CE1-CZ 4.42Å; F579-F982 HydrophobicContact CE2-CD2 4.32Å; F579-F982 AromaticContact CE2-CE2 3.57Å; F579-F982 HydrophobicContact CE2-CE2 3.57Å; F579-F982 HydrophobicContact CE2-CZ 4.06Å; F579-F982 AromaticContact CZ-CE2 3.66Å; F579-F982 HydrophobicContact CZ-CE2 3.66Å; F579-F982 AromaticContact CZ-CZ 3.67Å; F579-F982 HydrophobicContact CZ-CZ 3.67Å |
| 580 | A | 94 | Very high | 93.8 | Very high | 40 Ų | 40 | 56.1 Ų | 56.1 | 33% | 0.331 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.4 | -27.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | L553 L576 D577 D578 P585 | L553-A580 HydrophobicContact CD1-CB 3.66Å; L576-A580 VanDerWaalsContact O-CB 3.31Å; L576-A580 WeakPolarHBondContact O-CB 3.45Å; L576-A580 PolarHBondContact O-N 3.44Å; D577-A580 PolarHBondContact O-N 3.26Å; D578-A580 VanDerWaalsContact C-N 3.35Å; D578-A580 PolarHBondContact O-N 3.39Å; A580-P585 VanDerWaalsContact O-CD 3.32Å; A580-P585 WeakPolarHBondContact O-CD 3.29Å; A580-P585 VanDerWaalsContact O-CG 3.3Å; A580-P585 WeakPolarHBondContact O-CG 3.38Å |
| 581 | S | 93.2 | Very high | 94.1 | Very high | 87 Ų | 87 | 54 Ų | 54 | 61% | 0.608 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -94.3 | -20.8 | -179.5 | 61.4 | 0 | 0 | 0 | 0 | 114.3 | D577 D578 F579 | D577-S581 PolarHBondContact O-N 3.31Å; D577-S581 PolarHBondContact O-OG 3.37Å; D577-S581 VanDerWaalsContact O-OG 3.13Å; D578-S581 PolarHBondContact O-N 3.25Å; D578-S581 PolarHBondContact O-OG 2.92Å; F579-S581 PolarHBondContact O-N 3.12Å |
| 582 | R | 92.8 | Very high | 94.4 | Very high | 131 Ų | 131 | 51.8 Ų | 51.8 | 49% | 0.494 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | -91 | -175.9 | -66.9 | -172.4 | -78.6 | 162.8 | -12.8 | 112.5 | D578 F579 | D578-R582 WeakPolarHBondContact O-CB 3.47Å; D578-R582 PolarHBondContact O-N 3Å; D578-R582 IonicContact OD2-CZ 3.57Å; D578-R582 IonicContact OD2-NH2 3.34Å; D578-R582 PolarHBondContact OD2-NH2 3.31Å; F579-R582 PolarHBondContact O-N 3.49Å |
| 583 | E | 95 | Very high | 94.8 | Very high | 43 Ų | 43 | 56.1 Ų | 56.1 | 20% | 0.201 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -76 | -30.4 | -169.5 | -56.7 | 84.9 | 176.9 | 0 | 0 | 112.7 | F579 E586 L587 Y975 P979 | F579-E583 HydrophobicContact CD2-CB 4.06Å; F579-E583 HydrophobicContact CE2-CB 4.01Å; F579-E583 PolarHBondContact O-N 3.26Å; E583-E586 WeakPolarHBondContact O-CB 3.23Å; E583-E586 PolarHBondContact O-N 2.68Å; E583-L587 HydrophobicContact CB-CD1 4.37Å; E583-L587 WeakPolarHBondContact O-CG 3.48Å; E583-L587 PolarHBondContact O-N 3.04Å; E583-Y975 HydrophobicContact CB-CE2 4.24Å; E583-Y975 HydrophobicContact CG-CE2 4.25Å; E583-P979 HydrophobicContact CB-CG 4.3Å; E583-P979 HydrophobicContact CG-CG 4.17Å |
| 584 | G | 95.7 | Very high | 95 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55.5 | -53.5 | -175 | 0 | 0 | 0 | 0 | 0 | 114.5 | L549 F579 E586 L587 Q588 | L549-G584 VanDerWaalsContact CD2-C 3.42Å; F579-G584 WeakPolarHBondContact O-CA 3.21Å; F579-G584 PolarHBondContact O-N 2.89Å; G584-E586 VanDerWaalsContact C-N 3.27Å; G584-E586 PolarHBondContact O-N 2.79Å; G584-L587 PolarHBondContact O-N 3.22Å; G584-Q588 VanDerWaalsContact O-CB 3.3Å; G584-Q588 WeakPolarHBondContact O-CB 3.35Å; G584-Q588 PolarHBondContact O-N 2.92Å |
| 585 | P | 96.7 | Very high | 95 | Very high | 59 Ų | 59 | 49.8 Ų | 49.8 | 38% | 0.383 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.6 | -33.6 | 178.4 | -26.2 | 35.4 | 0 | 0 | 0 | 113.9 | A580 T589 | A580-P585 VanDerWaalsContact O-CD 3.32Å; A580-P585 WeakPolarHBondContact O-CD 3.29Å; A580-P585 VanDerWaalsContact O-CG 3.3Å; A580-P585 WeakPolarHBondContact O-CG 3.38Å; P585-T589 WeakPolarHBondContact O-CB 3.34Å; P585-T589 PolarHBondContact O-N 2.91Å; P585-T589 VanDerWaalsContact O-N 3.08Å; P585-T589 PolarHBondContact O-OG1 2.92Å |
| 586 | E | 96.2 | Very high | 95 | Very high | 95 Ų | 95 | 55.6 Ų | 55.6 | 44% | 0.444 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68.6 | -50.3 | 177.7 | -167.5 | -173.9 | -178.6 | 0 | 0 | 110.6 | E583 G584 Q588 T589 E590 K974 Y975 | E583-E586 WeakPolarHBondContact O-CB 3.23Å; E583-E586 PolarHBondContact O-N 2.68Å; G584-E586 VanDerWaalsContact C-N 3.27Å; G584-E586 PolarHBondContact O-N 2.79Å; E586-Q588 VanDerWaalsContact C-N 3.32Å; E586-Q588 PolarHBondContact O-N 3.44Å; E586-T589 WeakPolarHBondContact O-CB 3.33Å; E586-T589 PolarHBondContact O-N 3.48Å; E586-E590 PolarHBondContact O-N 3.31Å; E586-E590 VanDerWaalsContact O-N 3.08Å; E586-K974 WeakPolarHBondContact OE1-CE 3.41Å; E586-K974 IonicContact OE1-NZ 3.93Å; E586-K974 PolarHBondContact OE1-NZ 2.86Å; E586-K974 IonicContact OE2-NZ 3.56Å; E586-Y975 PolarHBondContact OE2-OH 2.76Å |
| 587 | L | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.4 | -38.8 | 176.6 | -64.6 | 171.6 | 0 | 0 | 0 | 111.9 | F579 E583 G584 T589 E590 L591 L967 I970 A971 K974 Y975 F982 | F579-L587 HydrophobicContact CE2-CD1 3.73Å; F579-L587 HydrophobicContact CZ-CD1 3.86Å; E583-L587 HydrophobicContact CB-CD1 4.37Å; E583-L587 WeakPolarHBondContact O-CG 3.48Å; E583-L587 PolarHBondContact O-N 3.04Å; G584-L587 PolarHBondContact O-N 3.22Å; L587-T589 VanDerWaalsContact C-N 3.3Å; L587-T589 PolarHBondContact O-N 3.47Å; L587-E590 PolarHBondContact O-N 2.86Å; L587-L591 WeakPolarHBondContact O-CB 3.44Å; L587-L591 PolarHBondContact O-N 2.85Å; L587-L967 HydrophobicContact CB-CD2 3.72Å; L587-I970 HydrophobicContact CD2-CB 4.17Å; L587-I970 HydrophobicContact CD2-CG2 3.61Å; L587-A971 HydrophobicContact CD1-CB 3.84Å; L587-A971 HydrophobicContact CD2-CB 4.04Å; L587-K974 HydrophobicContact CD2-CD 4.28Å; L587-Y975 HydrophobicContact CD1-CE2 4.33Å; L587-Y975 HydrophobicContact CD2-CE2 3.98Å; L587-Y975 HydrophobicContact CG-CE2 4.31Å; L587-F982 HydrophobicContact CD1-CE2 4.06Å |
| 588 | Q | 97.4 | Very high | 94.9 | Very high | 11 Ų | 11 | 65.1 Ų | 65.1 | 5% | 0.051 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.9 | -41.5 | 174.7 | -173.3 | 69 | 10.3 | 0 | 0 | 111.8 | P547 L549 G584 E586 L591 K592 H963 | P547-Q588 PolarHBondContact O-NE2 2.98Å; L549-Q588 HydrophobicContact CB-CG 4.16Å; L549-Q588 HydrophobicContact CD2-CB 4.39Å; G584-Q588 VanDerWaalsContact O-CB 3.3Å; G584-Q588 WeakPolarHBondContact O-CB 3.35Å; G584-Q588 PolarHBondContact O-N 2.92Å; E586-Q588 VanDerWaalsContact C-N 3.32Å; E586-Q588 PolarHBondContact O-N 3.44Å; Q588-L591 PolarHBondContact O-N 3.33Å; Q588-K592 HydrophobicContact CG-CD 4.5Å; Q588-K592 WeakPolarHBondContact O-CB 3.3Å; Q588-K592 WeakPolarHBondContact O-CG 3.23Å; Q588-K592 PolarHBondContact O-N 3.49Å; Q588-H963 PolarHBondContact OE1-CE1 3.42Å; Q588-H963 PolarHBondContact OE1-NE2 3.23Å |
| 589 | T | 97 | Very high | 94.6 | Very high | 75 Ų | 75 | 64.4 Ų | 64.4 | 46% | 0.46 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 179.7 | -61 | 0 | 0 | 0 | 0 | 110.6 | P585 E586 L587 K592 Q593 | P585-T589 WeakPolarHBondContact O-CB 3.34Å; P585-T589 PolarHBondContact O-N 2.91Å; P585-T589 VanDerWaalsContact O-N 3.08Å; P585-T589 PolarHBondContact O-OG1 2.92Å; E586-T589 WeakPolarHBondContact O-CB 3.33Å; E586-T589 PolarHBondContact O-N 3.48Å; L587-T589 VanDerWaalsContact C-N 3.3Å; L587-T589 PolarHBondContact O-N 3.47Å; T589-K592 PolarHBondContact O-N 3.46Å; T589-Q593 WeakPolarHBondContact O-CG 3.37Å; T589-Q593 PolarHBondContact O-N 2.98Å |
| 590 | E | 96.1 | Very high | 94.5 | Very high | 63 Ų | 63 | 64.9 Ų | 64.9 | 29% | 0.294 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 176.8 | -168.6 | 161.8 | 171.8 | 0 | 0 | 111.8 | E586 L587 K592 Q593 I594 I970 K974 | E586-E590 PolarHBondContact O-N 3.31Å; E586-E590 VanDerWaalsContact O-N 3.08Å; L587-E590 PolarHBondContact O-N 2.86Å; E590-K592 PolarHBondContact O-N 3.06Å; E590-Q593 WeakPolarHBondContact O-CB 3.39Å; E590-Q593 PolarHBondContact O-N 3.28Å; E590-Q593 VanDerWaalsContact O-N 3.11Å; E590-I594 HydrophobicContact CG-CD1 4.5Å; E590-I594 WeakPolarHBondContact O-CG1 3.47Å; E590-I594 PolarHBondContact O-N 3.13Å; E590-I970 HydrophobicContact CB-CG2 4.3Å; E590-I970 HydrophobicContact CG-CG2 3.99Å; E590-K974 WeakPolarHBondContact OE2-CD 3.05Å; E590-K974 IonicContact OE2-NZ 2.78Å; E590-K974 PolarHBondContact OE2-NZ 3.36Å |
| 591 | L | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.9 | -42.7 | 174.3 | -176 | 59.2 | 0 | 0 | 0 | 112.3 | V546 L587 Q588 Q593 I594 A595 W601 F605 H963 A966 L967 I970 | V546-L591 HydrophobicContact CG1-CD2 3.86Å; V546-L591 HydrophobicContact CG1-CG 4.11Å; V546-L591 HydrophobicContact CG2-CG 4.44Å; L587-L591 WeakPolarHBondContact O-CB 3.44Å; L587-L591 PolarHBondContact O-N 2.85Å; Q588-L591 PolarHBondContact O-N 3.33Å; L591-Q593 VanDerWaalsContact C-N 3.29Å; L591-Q593 PolarHBondContact O-N 2.99Å; L591-I594 PolarHBondContact O-N 3.19Å; L591-A595 WeakPolarHBondContact O-CB 3.2Å; L591-A595 PolarHBondContact O-N 2.86Å; L591-W601 HydrophobicContact CD1-CD2 4.18Å; L591-W601 HydrophobicContact CD1-CE3 3.53Å; L591-W601 HydrophobicContact CD1-CZ3 3.9Å; L591-W601 HydrophobicContact CD2-CE3 4.48Å; L591-W601 HydrophobicContact CD2-CH2 4.41Å; L591-W601 HydrophobicContact CD2-CZ3 4.08Å; L591-W601 HydrophobicContact CG-CE3 4.37Å; L591-W601 HydrophobicContact CG-CZ3 4.45Å; L591-F605 HydrophobicContact CD1-CE2 4.45Å; L591-H963 WeakPolarHBondContact CD2-CD2 3.07Å; L591-A966 HydrophobicContact CD1-CB 3.83Å; L591-A966 HydrophobicContact CD2-CB 4.15Å; L591-L967 HydrophobicContact CB-CD2 4.42Å; L591-L967 HydrophobicContact CD2-CD2 4.12Å; L591-L967 HydrophobicContact CD2-CG 4.43Å; L591-I970 HydrophobicContact CB-CD1 3.86Å; L591-I970 HydrophobicContact CD1-CD1 3.9Å; L591-I970 HydrophobicContact CG-CD1 4.45Å |
| 592 | K | 96.6 | Very high | 94.5 | Very high | 84 Ų | 84 | 59.2 Ų | 59.2 | 37% | 0.365 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62 | -36.7 | 174.2 | -75.9 | 178.2 | 177.8 | -178.7 | 0 | 111.8 | V546 D548 Q588 T589 E590 A595 M596 | V546-K592 HydrophobicContact CB-CG 4.46Å; V546-K592 HydrophobicContact CG1-CG 4.2Å; D548-K592 IonicContact OD1-NZ 3.92Å; Q588-K592 HydrophobicContact CG-CD 4.5Å; Q588-K592 WeakPolarHBondContact O-CB 3.3Å; Q588-K592 WeakPolarHBondContact O-CG 3.23Å; Q588-K592 PolarHBondContact O-N 3.49Å; T589-K592 PolarHBondContact O-N 3.46Å; E590-K592 PolarHBondContact O-N 3.06Å; K592-A595 PolarHBondContact O-N 3.38Å; K592-M596 WeakPolarHBondContact O-CG 3.43Å; K592-M596 PolarHBondContact O-N 3.19Å |
| 593 | Q | 96.1 | Very high | 94.4 | Very high | 95 Ų | 95 | 54 Ų | 54 | 44% | 0.444 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.2 | -40.4 | 174.8 | -70.4 | 175.7 | 13.8 | 0 | 0 | 112.2 | T589 E590 L591 A595 M596 R597 | T589-Q593 WeakPolarHBondContact O-CG 3.37Å; T589-Q593 PolarHBondContact O-N 2.98Å; E590-Q593 WeakPolarHBondContact O-CB 3.39Å; E590-Q593 PolarHBondContact O-N 3.28Å; E590-Q593 VanDerWaalsContact O-N 3.11Å; L591-Q593 VanDerWaalsContact C-N 3.29Å; L591-Q593 PolarHBondContact O-N 2.99Å; Q593-A595 VanDerWaalsContact C-N 3.35Å; Q593-M596 PolarHBondContact O-N 2.66Å; Q593-R597 WeakPolarHBondContact O-CG 3.4Å; Q593-R597 PolarHBondContact O-N 3.08Å |
| 594 | I | 94.9 | Very high | 94.3 | Very high | 34 Ų | 34 | 55.2 Ų | 55.2 | 17% | 0.174 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 172.9 | -66.8 | 159.6 | 0 | 0 | 0 | 109.7 | E590 L591 M596 R597 E598 W601 F605 I970 | E590-I594 HydrophobicContact CG-CD1 4.5Å; E590-I594 WeakPolarHBondContact O-CG1 3.47Å; E590-I594 PolarHBondContact O-N 3.13Å; L591-I594 PolarHBondContact O-N 3.19Å; I594-M596 PolarHBondContact O-N 3.24Å; I594-R597 PolarHBondContact O-N 3.43Å; I594-E598 HydrophobicContact CG2-CG 4.4Å; I594-E598 PolarHBondContact O-N 3.02Å; I594-W601 HydrophobicContact CG2-CB 3.97Å; I594-F605 HydrophobicContact CD1-CZ 4.16Å; I594-I970 HydrophobicContact CD1-CD1 3.77Å; I594-I970 HydrophobicContact CD1-CG1 4.13Å |
| 595 | A | 93.6 | Very high | 94.1 | Very high | 24 Ų | 24 | 56.3 Ų | 56.3 | 20% | 0.198 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.1 | -23.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | V546 L591 K592 Q593 W601 | V546-A595 HydrophobicContact CG2-CB 3.49Å; V546-A595 VanDerWaalsContact CG2-CB 3.49Å; L591-A595 WeakPolarHBondContact O-CB 3.2Å; L591-A595 PolarHBondContact O-N 2.86Å; K592-A595 PolarHBondContact O-N 3.38Å; Q593-A595 VanDerWaalsContact C-N 3.35Å; A595-W601 HydrophobicContact CB-CB 4.16Å; A595-W601 HydrophobicContact CB-CG 3.93Å |
| 596 | M | 92 | Very high | 93.8 | Very high | 161 Ų | 161 | 54.4 Ų | 54.4 | 79% | 0.793 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -76.9 | -30.2 | 171.3 | -72.6 | 177.2 | -173 | 0 | 0 | 112.7 | K592 Q593 I594 | K592-M596 WeakPolarHBondContact O-CG 3.43Å; K592-M596 PolarHBondContact O-N 3.19Å; Q593-M596 PolarHBondContact O-N 2.66Å; I594-M596 PolarHBondContact O-N 3.24Å |
| 597 | R | 92.4 | Very high | 93.5 | Very high | 209 Ų | 209 | 51.2 Ų | 51.2 | 79% | 0.789 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -88 | -36 | -178.7 | -65.3 | 175.3 | -170.9 | -168.9 | 5.2 | 112 | Q593 I594 | Q593-R597 WeakPolarHBondContact O-CG 3.4Å; Q593-R597 PolarHBondContact O-N 3.08Å; I594-R597 PolarHBondContact O-N 3.43Å |
| 598 | E | 90.1 | Very high | 93.2 | Very high | 77 Ų | 77 | 56.4 Ų | 56.4 | 36% | 0.36 | 27% | 0.267 | S | S | . | . | trans | -109.6 | 131.3 | -174.9 | -62.7 | -169.8 | -172.5 | 0 | 0 | 111.7 | I594 N600 | I594-E598 HydrophobicContact CG2-CG 4.4Å; I594-E598 PolarHBondContact O-N 3.02Å; E598-N600 PolarHBondContact O-N 3.14Å | ||
| 599 | K | 88.3 | Confident | 92.7 | Very high | 62 Ų | 62 | 57.9 Ų | 57.9 | 27% | 0.27 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -61.8 | -31.4 | 177 | -166.5 | 85.1 | -179.6 | -176.2 | 0 | 112.6 | Q538 L541 S543 P544 F890 | Q538-K599 HydrophobicContact CG-CD 3.73Å; Q538-K599 HydrophobicContact CG-CG 4.01Å; Q538-K599 WeakPolarHBondContact O-CE 3.31Å; Q538-K599 PolarHBondContact O-NZ 3.4Å; L541-K599 WeakPolarHBondContact O-CE 3.47Å; S543-K599 WeakPolarHBondContact CA-O 3.48Å; S543-K599 WeakPolarHBondContact CB-O 3.39Å; S543-K599 PolarHBondContact OG-O 3.25Å; P544-K599 WeakPolarHBondContact CD-O 3.47Å; K599-F890 HydrophobicContact CB-CD1 3.85Å; K599-F890 HydrophobicContact CB-CE1 4.1Å; K599-F890 HydrophobicContact CG-CB 4.08Å; K599-F890 HydrophobicContact CG-CD1 3.33Å; K599-F890 HydrophobicContact CG-CE1 3.89Å; K599-F890 HydrophobicContact CG-CG 3.84Å |
| 600 | N | 92.2 | Very high | 92.1 | Very high | 13 Ų | 13 | 56.4 Ų | 56.4 | 7% | 0.07 | 27% | 0.267 | C | S | . | . | trans | -138 | 98.3 | 174.7 | -178.6 | -41.3 | 0 | 0 | 0 | 108.3 | E598 I602 T603 F890 K891 G892 | E598-N600 PolarHBondContact O-N 3.14Å; N600-I602 WeakPolarHBondContact OD1-CG2 3.44Å; N600-I602 PolarHBondContact OD1-N 3.38Å; N600-T603 PolarHBondContact ND2-OG1 3.28Å; N600-T603 WeakPolarHBondContact OD1-CB 3.41Å; N600-T603 PolarHBondContact OD1-N 3.45Å; N600-T603 PolarHBondContact OD1-OG1 2.98Å; N600-F890 HydrophobicContact CB-CD1 4.48Å; N600-F890 WeakPolarHBondContact CB-O 3.48Å; N600-F890 PolarHBondContact ND2-O 3.46Å; N600-K891 HydrophobicContact CB-CB 4.38Å; N600-K891 PolarHBondContact ND2-O 3.15Å; N600-K891 VanDerWaalsContact ND2-O 3.17Å; N600-G892 PolarHBondContact ND2-N 2.82Å | ||
| 601 | W | 94.1 | Very high | 91.9 | Very high | 6 Ų | 6 | 54.6 Ų | 54.6 | 2% | 0.023 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -73.8 | -26.1 | -178.2 | 58.7 | -94.2 | 0 | 0 | 0 | 112.9 | P544 P545 V546 L591 I594 A595 F605 A966 | P544-W601 PolarHBondContact O-NE1 3.35Å; P545-W601 VanDerWaalsContact O-CZ2 3.29Å; P545-W601 WeakPolarHBondContact O-CZ2 3.31Å; V546-W601 HydrophobicContact CG2-CD2 4.37Å; V546-W601 HydrophobicContact CG2-CZ2 4.14Å; L591-W601 HydrophobicContact CD1-CD2 4.18Å; L591-W601 HydrophobicContact CD1-CE3 3.53Å; L591-W601 HydrophobicContact CD1-CZ3 3.9Å; L591-W601 HydrophobicContact CD2-CE3 4.48Å; L591-W601 HydrophobicContact CD2-CH2 4.41Å; L591-W601 HydrophobicContact CD2-CZ3 4.08Å; L591-W601 HydrophobicContact CG-CE3 4.37Å; L591-W601 HydrophobicContact CG-CZ3 4.45Å; I594-W601 HydrophobicContact CG2-CB 3.97Å; A595-W601 HydrophobicContact CB-CB 4.16Å; A595-W601 HydrophobicContact CB-CG 3.93Å; W601-F605 WeakPolarHBondContact O-CD2 3.43Å; W601-F605 WeakPolarHBondContact O-CE2 3.39Å; W601-A966 HydrophobicContact CE3-CB 4.11Å; W601-A966 HydrophobicContact CZ3-CB 3.59Å |
| 602 | I | 93.7 | Very high | 91.7 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -87.2 | -37.6 | -168.3 | -179.3 | 57.9 | 0 | 0 | 0 | 114.1 | P544 N600 P604 F605 W606 M886 N962 A966 | P544-I602 HydrophobicContact CB-CG2 4.25Å; P544-I602 HydrophobicContact CG-CG2 4.05Å; N600-I602 WeakPolarHBondContact OD1-CG2 3.44Å; N600-I602 PolarHBondContact OD1-N 3.38Å; I602-P604 VanDerWaalsContact C-CD 3.5Å; I602-F605 HydrophobicContact CD1-CB 4.44Å; I602-F605 PolarHBondContact O-N 2.96Å; I602-F605 VanDerWaalsContact O-N 3.09Å; I602-W606 HydrophobicContact CG1-CB 4.44Å; I602-W606 WeakPolarHBondContact O-CB 3.5Å; I602-W606 PolarHBondContact O-N 3.5Å; I602-M886 HydrophobicContact CG2-CE 4.04Å; I602-N962 HydrophobicContact CD1-CB 3.39Å; I602-N962 VanDerWaalsContact CD1-O 3.29Å; I602-N962 WeakPolarHBondContact CD1-O 3.5Å; I602-N962 HydrophobicContact CG1-CB 3.57Å; I602-N962 VanDerWaalsContact CG1-CG 3.47Å; I602-N962 WeakPolarHBondContact CG1-OD1 3.25Å; I602-A966 HydrophobicContact CD1-CB 4.46Å |
| 603 | T | 91.1 | Very high | 91.4 | Very high | 20 Ų | 20 | 52.9 Ų | 52.9 | 12% | 0.123 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.5 | -40.9 | -170.4 | -58.2 | 0 | 0 | 0 | 0 | 113.3 | N600 W606 I607 K891 R893 | N600-T603 PolarHBondContact ND2-OG1 3.28Å; N600-T603 WeakPolarHBondContact OD1-CB 3.41Å; N600-T603 PolarHBondContact OD1-N 3.45Å; N600-T603 PolarHBondContact OD1-OG1 2.98Å; T603-W606 PolarHBondContact O-N 3.27Å; T603-I607 HydrophobicContact CG2-CD1 3.67Å; T603-I607 HydrophobicContact CG2-CG1 4.21Å; T603-I607 WeakPolarHBondContact O-CB 3.22Å; T603-I607 WeakPolarHBondContact O-CG1 3.26Å; T603-I607 PolarHBondContact O-N 2.66Å; T603-K891 PolarHBondContact OG1-O 2.94Å; T603-K891 VanDerWaalsContact OG1-O 3.09Å; T603-R893 HydrophobicContact CG2-CG 4Å |
| 604 | P | 91.1 | Very high | 91.1 | Very high | 69 Ų | 69 | 50.6 Ų | 50.6 | 45% | 0.448 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60.3 | -45.3 | 174.5 | -24.2 | 35.5 | 0 | 0 | 0 | 113.2 | I602 R608 | I602-P604 VanDerWaalsContact C-CD 3.5Å; P604-R608 VanDerWaalsContact O-CB 3.31Å; P604-R608 WeakPolarHBondContact O-CB 3.38Å; P604-R608 PolarHBondContact O-N 3.36Å; P604-R608 VanDerWaalsContact O-N 3.14Å |
| 605 | F | 92.5 | Very high | 90.9 | Very high | 23 Ų | 23 | 50.8 Ų | 50.8 | 10% | 0.101 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.5 | -45.4 | 177.1 | -64.4 | -62.5 | 0 | 0 | 0 | 111.6 | L591 I594 W601 I602 R608 S609 I965 A966 E969 I970 | L591-F605 HydrophobicContact CD1-CE2 4.45Å; I594-F605 HydrophobicContact CD1-CZ 4.16Å; W601-F605 WeakPolarHBondContact O-CD2 3.43Å; W601-F605 WeakPolarHBondContact O-CE2 3.39Å; I602-F605 HydrophobicContact CD1-CB 4.44Å; I602-F605 PolarHBondContact O-N 2.96Å; I602-F605 VanDerWaalsContact O-N 3.09Å; F605-R608 PolarHBondContact O-N 2.99Å; F605-S609 VanDerWaalsContact O-CB 3.32Å; F605-S609 WeakPolarHBondContact O-CB 3.48Å; F605-S609 PolarHBondContact O-N 3.38Å; F605-I965 HydrophobicContact CB-CG2 4.4Å; F605-A966 HydrophobicContact CD2-CB 3.79Å; F605-A966 HydrophobicContact CE2-CB 4.24Å; F605-A966 HydrophobicContact CG-CB 4.2Å; F605-E969 HydrophobicContact CD1-CB 3.54Å; F605-E969 HydrophobicContact CD1-CG 3.98Å; F605-E969 HydrophobicContact CE1-CB 3.9Å; F605-E969 HydrophobicContact CG-CB 4.49Å; F605-I970 HydrophobicContact CE1-CG1 4.38Å; F605-I970 HydrophobicContact CZ-CD1 4.46Å; F605-I970 HydrophobicContact CZ-CG1 4.09Å |
| 606 | W | 89.7 | Confident | 90.8 | Very high | 20 Ų | 20 | 53 Ų | 53 | 8% | 0.076 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.7 | -49.9 | 179.1 | 179.6 | -99.9 | 0 | 0 | 0 | 112.1 | I602 T603 R608 S609 M610 Y611 V894 N962 I965 | I602-W606 HydrophobicContact CG1-CB 4.44Å; I602-W606 WeakPolarHBondContact O-CB 3.5Å; I602-W606 PolarHBondContact O-N 3.5Å; T603-W606 PolarHBondContact O-N 3.27Å; W606-R608 VanDerWaalsContact C-N 3.32Å; W606-R608 PolarHBondContact O-N 2.96Å; W606-S609 PolarHBondContact O-N 3.07Å; W606-M610 HydrophobicContact CD2-CB 4.44Å; W606-M610 HydrophobicContact CD2-CG 3.73Å; W606-M610 HydrophobicContact CE3-CE 4.32Å; W606-M610 HydrophobicContact CE3-CG 3.74Å; W606-M610 HydrophobicContact CG-CG 4.49Å; W606-M610 HydrophobicContact CH2-CE 3.93Å; W606-M610 HydrophobicContact CH2-CG 3.74Å; W606-M610 HydrophobicContact CH2-SD 4.08Å; W606-M610 HydrophobicContact CZ2-CB 4.41Å; W606-M610 HydrophobicContact CZ2-CG 3.69Å; W606-M610 HydrophobicContact CZ2-SD 4.41Å; W606-M610 HydrophobicContact CZ3-CE 3.68Å; W606-M610 HydrophobicContact CZ3-CG 3.77Å; W606-M610 HydrophobicContact CZ3-SD 4.3Å; W606-M610 WeakPolarHBondContact O-CB 3.29Å; W606-M610 PolarHBondContact O-N 2.97Å; W606-Y611 AromaticContact NE1-CE2 3.77Å; W606-V894 HydrophobicContact CH2-CG2 4.46Å; W606-V894 HydrophobicContact CZ2-CG2 3.58Å; W606-N962 WeakPolarHBondContact CZ3-OD1 3.46Å; W606-I965 HydrophobicContact CE3-CD1 3.69Å; W606-I965 HydrophobicContact CZ3-CD1 3.64Å |
| 607 | I | 90.8 | Very high | 90.8 | Very high | 28 Ų | 28 | 46.6 Ų | 46.6 | 14% | 0.144 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.8 | -44.2 | -179.7 | -74.3 | 175.4 | 0 | 0 | 0 | 111.2 | T603 Y611 L612 T855 | T603-I607 HydrophobicContact CG2-CD1 3.67Å; T603-I607 HydrophobicContact CG2-CG1 4.21Å; T603-I607 WeakPolarHBondContact O-CB 3.22Å; T603-I607 WeakPolarHBondContact O-CG1 3.26Å; T603-I607 PolarHBondContact O-N 2.66Å; I607-Y611 PolarHBondContact O-N 3.1Å; I607-L612 HydrophobicContact CG2-CD1 3.8Å; I607-L612 HydrophobicContact CG2-CG 3.94Å; I607-L612 PolarHBondContact O-N 3.31Å; I607-T855 HydrophobicContact CG2-CG2 3.77Å |
| 608 | R | 90.9 | Very high | 90.8 | Very high | 108 Ų | 108 | 36.7 Ų | 36.7 | 41% | 0.408 | 19% | 0.189 | S | C | . | . | I | π-helix | trans | -61.3 | -49.9 | 178.8 | -174.8 | -178.5 | 177.7 | 112.9 | 4.4 | 111.3 | P604 F605 W606 G613 M695 E969 | P604-R608 VanDerWaalsContact O-CB 3.31Å; P604-R608 WeakPolarHBondContact O-CB 3.38Å; P604-R608 PolarHBondContact O-N 3.36Å; P604-R608 VanDerWaalsContact O-N 3.14Å; F605-R608 PolarHBondContact O-N 2.99Å; W606-R608 VanDerWaalsContact C-N 3.32Å; W606-R608 PolarHBondContact O-N 2.96Å; R608-G613 PolarHBondContact O-N 2.99Å; R608-M695 HydrophobicContact CG-CE 3.57Å; R608-M695 HydrophobicContact CG-SD 3.76Å; R608-E969 WeakPolarHBondContact CD-OE2 3.34Å; R608-E969 IonicContact NE-OE2 2.75Å; R608-E969 PolarHBondContact NE-OE2 3.31Å |
| 609 | S | 86.6 | Confident | 90.8 | Very high | 43 Ų | 43 | 33.5 Ų | 33.5 | 30% | 0.301 | 18% | 0.175 | S | C | . | . | I | π-helix | trans | -74.1 | -47.9 | -173.5 | -160.9 | 0 | 0 | 0 | 0 | 112.5 | F605 W606 | F605-S609 VanDerWaalsContact O-CB 3.32Å; F605-S609 WeakPolarHBondContact O-CB 3.48Å; F605-S609 PolarHBondContact O-N 3.38Å; W606-S609 PolarHBondContact O-N 3.07Å |
| 610 | M | 84.3 | Confident | 90.7 | Very high | 43 Ų | 43 | 32.3 Ų | 32.3 | 21% | 0.212 | 17% | 0.173 | C | C | . | . | I | π-helix | trans | -82 | -33.2 | -171.6 | -71.4 | -68.5 | 162.4 | 0 | 0 | 114.1 | W606 I965 F991 | W606-M610 HydrophobicContact CD2-CB 4.44Å; W606-M610 HydrophobicContact CD2-CG 3.73Å; W606-M610 HydrophobicContact CE3-CE 4.32Å; W606-M610 HydrophobicContact CE3-CG 3.74Å; W606-M610 HydrophobicContact CG-CG 4.49Å; W606-M610 HydrophobicContact CH2-CE 3.93Å; W606-M610 HydrophobicContact CH2-CG 3.74Å; W606-M610 HydrophobicContact CH2-SD 4.08Å; W606-M610 HydrophobicContact CZ2-CB 4.41Å; W606-M610 HydrophobicContact CZ2-CG 3.69Å; W606-M610 HydrophobicContact CZ2-SD 4.41Å; W606-M610 HydrophobicContact CZ3-CE 3.68Å; W606-M610 HydrophobicContact CZ3-CG 3.77Å; W606-M610 HydrophobicContact CZ3-SD 4.3Å; W606-M610 WeakPolarHBondContact O-CB 3.29Å; W606-M610 PolarHBondContact O-N 2.97Å; M610-I965 HydrophobicContact CE-CD1 3.38Å; M610-I965 HydrophobicContact CE-CG1 4.45Å; M610-F991 HydrophobicContact CE-CD1 3.8Å; M610-F991 HydrophobicContact CE-CE1 3.89Å |
| 611 | Y | 90.9 | Very high | 90.5 | Very high | 25 Ų | 25 | 34.8 Ų | 34.8 | 10% | 0.098 | 18% | 0.182 | C | C | . | . | I | π-helix | trans | -114.9 | -64.6 | -174 | -57.3 | -74.2 | 0 | 0 | 0 | 111.6 | W606 I607 G613 N614 R689 H854 T855 | W606-Y611 AromaticContact NE1-CE2 3.77Å; I607-Y611 PolarHBondContact O-N 3.1Å; Y611-G613 VanDerWaalsContact C-N 3.34Å; Y611-G613 PolarHBondContact O-N 3.33Å; Y611-N614 WeakPolarHBondContact O-CB 3.44Å; Y611-N614 PolarHBondContact O-N 2.74Å; Y611-R689 PolarHBondContact O-NH2 3.38Å; Y611-H854 HydrophobicContact CD1-CB 4.39Å; Y611-H854 HydrophobicContact CE1-CB 3.8Å; Y611-H854 AromaticContact CE1-CG 3.94Å; Y611-H854 PolarHBondContact OH-ND1 2.81Å; Y611-T855 WeakPolarHBondContact CB-OG1 3.43Å; Y611-T855 HydrophobicContact CG-CG2 4.44Å |
| 612 | L | 93.9 | Very high | 90.2 | Very high | 20 Ų | 20 | 35.2 Ų | 35.2 | 11% | 0.105 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -66.6 | -34.8 | -168.2 | -61.2 | -178.1 | 0 | 0 | 0 | 113.5 | I607 N614 R615 R689 M695 D696 L698 T855 | I607-L612 HydrophobicContact CG2-CD1 3.8Å; I607-L612 HydrophobicContact CG2-CG 3.94Å; I607-L612 PolarHBondContact O-N 3.31Å; L612-N614 VanDerWaalsContact C-N 3.31Å; L612-R615 PolarHBondContact O-NH1 2.88Å; L612-R689 HydrophobicContact CD2-CG 4.46Å; L612-M695 HydrophobicContact CB-CG 4.03Å; L612-M695 WeakPolarHBondContact O-CA 3.33Å; L612-D696 HydrophobicContact CB-CB 4.46Å; L612-D696 HydrophobicContact CD2-CB 3.91Å; L612-D696 PolarHBondContact O-N 3.28Å; L612-L698 HydrophobicContact CD1-CB 4.25Å; L612-L698 HydrophobicContact CD2-CB 4.19Å; L612-T855 HydrophobicContact CD2-CG2 3.86Å; L612-T855 HydrophobicContact CG-CG2 4.27Å |
| 613 | G | 90.4 | Very high | 90.2 | Very high | 28 Ų | 28 | 35.1 Ų | 35.1 | 29% | 0.289 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -15.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114 | R608 Y611 R615 | R608-G613 PolarHBondContact O-N 2.99Å; Y611-G613 VanDerWaalsContact C-N 3.34Å; Y611-G613 PolarHBondContact O-N 3.33Å; G613-R615 WeakPolarHBondContact O-CD 3.3Å; G613-R615 PolarHBondContact O-N 3.32Å |
| 614 | N | 89 | Confident | 90 | Very high | 48 Ų | 48 | 34.4 Ų | 34.4 | 26% | 0.257 | 18% | 0.181 | S | C | . | . | trans | -74.6 | 121.2 | 179.5 | -172 | -11.8 | 0 | 0 | 0 | 110.6 | Y611 L612 L616 | Y611-N614 WeakPolarHBondContact O-CB 3.44Å; Y611-N614 PolarHBondContact O-N 2.74Å; L612-N614 VanDerWaalsContact C-N 3.31Å; N614-L616 VanDerWaalsContact OD1-CB 3.31Å; N614-L616 WeakPolarHBondContact OD1-CB 3Å; N614-L616 WeakPolarHBondContact OD1-CG 3.42Å; N614-L616 PolarHBondContact OD1-N 3.38Å | ||
| 615 | R | 91.9 | Very high | 89.9 | Confident | 37 Ų | 37 | 31.1 Ų | 31.1 | 14% | 0.14 | 16% | 0.16 | C | C | . | . | trans | -95.5 | -4.7 | -176.1 | -45.8 | -47.6 | -61 | 152.4 | -0.9 | 113.5 | L612 G613 N692 C694 D696 N766 R767 D768 | L612-R615 PolarHBondContact O-NH1 2.88Å; G613-R615 WeakPolarHBondContact O-CD 3.3Å; G613-R615 PolarHBondContact O-N 3.32Å; R615-N692 PolarHBondContact NH2-O 2.86Å; R615-C694 WeakPolarHBondContact CD-O 3.36Å; R615-D696 IonicContact CZ-OD1 2.8Å; R615-D696 IonicContact NH1-OD1 2.82Å; R615-D696 PolarHBondContact NH1-OD1 3.42Å; R615-D696 IonicContact NH2-OD1 2.9Å; R615-D696 PolarHBondContact NH2-OD1 3.33Å; R615-N766 PolarHBondContact O-ND2 2.94Å; R615-R767 VanDerWaalsContact NH2-CB 3.28Å; R615-R767 PolarHBondContact O-N 3.44Å; R615-D768 IonicContact CZ-OD1 3.96Å; R615-D768 VanDerWaalsContact CZ-OD1 3.25Å; R615-D768 IonicContact CZ-OD2 3.66Å; R615-D768 IonicContact NE-OD1 3.69Å; R615-D768 PolarHBondContact NE-OD1 2.9Å; R615-D768 IonicContact NE-OD2 3.69Å; R615-D768 PolarHBondContact NE-OD2 3.01Å; R615-D768 VanDerWaalsContact NE-OD2 3.11Å; R615-D768 VanDerWaalsContact NH2-N 3.18Å; R615-D768 IonicContact NH2-OD1 2.86Å; R615-D768 PolarHBondContact NH2-OD1 3.35Å; R615-D768 IonicContact NH2-OD2 2.68Å | ||
| 616 | L | 90.4 | Very high | 89.4 | Confident | 70 Ų | 70 | 30.3 Ų | 30.3 | 37% | 0.366 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -63.9 | 154.4 | 175.7 | -64.8 | 174.9 | 0 | 0 | 0 | 111 | N614 Y621 R767 | N614-L616 VanDerWaalsContact OD1-CB 3.31Å; N614-L616 WeakPolarHBondContact OD1-CB 3Å; N614-L616 WeakPolarHBondContact OD1-CG 3.42Å; N614-L616 PolarHBondContact OD1-N 3.38Å; L616-Y621 HydrophobicContact CB-CD1 4.43Å; L616-Y621 HydrophobicContact CB-CD2 4.36Å; L616-Y621 HydrophobicContact CB-CG 4.07Å; L616-Y621 HydrophobicContact CD1-CD1 3.83Å; L616-Y621 HydrophobicContact CD1-CE1 4.34Å; L616-Y621 HydrophobicContact CD1-CG 4.26Å; L616-R767 WeakPolarHBondContact O-CD 3.26Å; L616-R767 VanDerWaalsContact O-CG 3.28Å; L616-R767 WeakPolarHBondContact O-CG 3.48Å |
| 617 | P | 91.4 | Very high | 89 | Confident | 28 Ų | 28 | 29.4 Ų | 29.4 | 18% | 0.182 | 15% | 0.153 | C | C | . | . | trans | -52.3 | 146.8 | 172.2 | -26.5 | 35.4 | 0 | 0 | 0 | 112.8 | Y621 M764 | P617-Y621 HydrophobicContact CB-CD2 4.09Å; P617-Y621 HydrophobicContact CB-CE2 4.26Å; P617-Y621 HydrophobicContact CG-CD2 4.37Å; P617-Y621 HydrophobicContact CG-CE2 4.16Å; P617-Y621 WeakPolarHBondContact O-CB 3.32Å; P617-Y621 VanDerWaalsContact O-CD2 3.32Å; P617-Y621 WeakPolarHBondContact O-CD2 3.35Å; P617-M764 WeakPolarHBondContact CB-O 3.46Å | ||
| 618 | L | 93.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.6 | -52.9 | 177.7 | -64.3 | -177.6 | 0 | 0 | 0 | 114.4 | V620 S622 N623 R689 F834 E835 | L618-V620 PolarHBondContact O-N 2.98Å; L618-S622 PolarHBondContact O-N 3.48Å; L618-N623 PolarHBondContact O-N 3.45Å; L618-R689 VanDerWaalsContact CD2-CZ 3.47Å; L618-F834 HydrophobicContact CB-CB 3.96Å; L618-F834 HydrophobicContact CD1-CB 4.12Å; L618-F834 WeakPolarHBondContact CD1-O 3.42Å; L618-E835 HydrophobicContact CD1-CG 3.79Å |
| 619 | P | 90.2 | Very high | 87.2 | Confident | 10 Ų | 10 | 25.9 Ų | 25.9 | 7% | 0.065 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.2 | 143.3 | 178.8 | 23.5 | -32.9 | 0 | 0 | 0 | 110.6 | Y621 M764 F834 | P619-Y621 WeakPolarHBondContact O-CD2 3.5Å; P619-Y621 PolarHBondContact O-N 3.3Å; P619-M764 HydrophobicContact CG-CB 4.26Å; P619-M764 HydrophobicContact CG-CE 4.35Å; P619-M764 HydrophobicContact CG-CG 4.41Å; P619-F834 HydrophobicContact CB-CD1 3.95Å; P619-F834 HydrophobicContact CB-CD2 4.49Å; P619-F834 HydrophobicContact CB-CE1 3.68Å; P619-F834 HydrophobicContact CB-CE2 4.25Å; P619-F834 HydrophobicContact CB-CG 4.36Å; P619-F834 HydrophobicContact CB-CZ 3.83Å; P619-F834 HydrophobicContact CG-CD1 4.41Å; P619-F834 HydrophobicContact CG-CD2 4.21Å; P619-F834 HydrophobicContact CG-CE1 4.41Å; P619-F834 HydrophobicContact CG-CE2 4.21Å; P619-F834 HydrophobicContact CG-CG 4.32Å; P619-F834 HydrophobicContact CG-CZ 4.3Å |
| 620 | V | 87 | Confident | 86.7 | Confident | 37 Ų | 37 | 27.2 Ų | 27.2 | 22% | 0.224 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | 72.6 | -49.8 | -178 | -173.7 | 0 | 0 | 0 | 0 | 113.9 | L618 I820 T821 G1020 M1045 | L618-V620 PolarHBondContact O-N 2.98Å; V620-I820 HydrophobicContact CG2-CG2 4.05Å; V620-T821 HydrophobicContact CG2-CG2 3.6Å; V620-G1020 WeakPolarHBondContact O-CA 3.2Å; V620-G1020 PolarHBondContact O-N 2.96Å; V620-M1045 HydrophobicContact CG1-CE 3.66Å |
| 621 | Y | 86.9 | Confident | 86.5 | Confident | 66 Ų | 66 | 26.6 Ų | 26.6 | 26% | 0.259 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -87.3 | -31.2 | -172.3 | -55.7 | -86.9 | 0 | 0 | 0 | 114.4 | L616 P617 P619 M1045 | L616-Y621 HydrophobicContact CB-CD1 4.43Å; L616-Y621 HydrophobicContact CB-CD2 4.36Å; L616-Y621 HydrophobicContact CB-CG 4.07Å; L616-Y621 HydrophobicContact CD1-CD1 3.83Å; L616-Y621 HydrophobicContact CD1-CE1 4.34Å; L616-Y621 HydrophobicContact CD1-CG 4.26Å; P617-Y621 HydrophobicContact CB-CD2 4.09Å; P617-Y621 HydrophobicContact CB-CE2 4.26Å; P617-Y621 HydrophobicContact CG-CD2 4.37Å; P617-Y621 HydrophobicContact CG-CE2 4.16Å; P617-Y621 WeakPolarHBondContact O-CB 3.32Å; P617-Y621 VanDerWaalsContact O-CD2 3.32Å; P617-Y621 WeakPolarHBondContact O-CD2 3.35Å; P619-Y621 WeakPolarHBondContact O-CD2 3.5Å; P619-Y621 PolarHBondContact O-N 3.3Å; Y621-M1045 HydrophobicContact CD1-CE 4.06Å; Y621-M1045 HydrophobicContact CE1-CE 3.38Å; Y621-M1045 HydrophobicContact CE2-CE 4.48Å |
| 622 | S | 88.9 | Confident | 86.1 | Confident | 15 Ų | 15 | 31 Ų | 31 | 11% | 0.105 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.1 | -39.5 | -177.3 | -170.4 | 0 | 0 | 0 | 0 | 112.6 | L618 P624 R689 H854 | L618-S622 PolarHBondContact O-N 3.48Å; S622-P624 VanDerWaalsContact O-CD 3.25Å; S622-P624 WeakPolarHBondContact O-CD 3.03Å; S622-R689 PolarHBondContact OG-NH1 3.25Å; S622-H854 WeakPolarHBondContact O-CB 3.22Å |
| 623 | N | 92.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | B | Isolated β-bridge | trans | -93.8 | 112.9 | -173.3 | -70.7 | 28 | 0 | 0 | 0 | 111.4 | L618 F834 N851 Y852 | L618-N623 PolarHBondContact O-N 3.45Å; N623-F834 PolarHBondContact ND2-O 2.83Å; N623-N851 WeakPolarHBondContact CB-OD1 3.45Å; N623-N851 PolarHBondContact ND2-OD1 3.01Å; N623-Y852 VanDerWaalsContact CA-O 3.24Å; N623-Y852 WeakPolarHBondContact CA-O 3.47Å; N623-Y852 VanDerWaalsContact CB-O 3.31Å; N623-Y852 WeakPolarHBondContact CB-O 3.33Å |
| 624 | P | 88.2 | Confident | 85.3 | Confident | 4 Ų | 4 | 38.6 Ų | 38.6 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | trans | -79.5 | 159.4 | 174.1 | -15.9 | 35.9 | 0 | 0 | 0 | 111.6 | S622 Y852 Y1019 | S622-P624 VanDerWaalsContact O-CD 3.25Å; S622-P624 WeakPolarHBondContact O-CD 3.03Å; P624-Y852 HydrophobicContact CB-CD1 3.9Å; P624-Y852 HydrophobicContact CB-CE1 3.36Å; P624-Y852 VanDerWaalsContact CD-CE1 3.4Å; P624-Y852 WeakPolarHBondContact CD-O 3.49Å; P624-Y852 HydrophobicContact CG-CD1 4.03Å; P624-Y852 HydrophobicContact CG-CE1 3.31Å; P624-Y852 HydrophobicContact CG-CE2 4.24Å; P624-Y852 VanDerWaalsContact CG-CZ 3.4Å; P624-Y852 WeakPolarHBondContact CG-OH 3.32Å; P624-Y852 PolarHBondContact O-N 3.35Å; P624-Y852 VanDerWaalsContact O-N 3.15Å; P624-Y1019 HydrophobicContact CB-CD1 4.4Å | ||
| 625 | G | 88 | Confident | 85.5 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 149.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111 | L816 V850 V1017 G1018 | G625-L816 WeakPolarHBondContact O-CD1 3.42Å; G625-V850 WeakPolarHBondContact CA-O 3.33Å; G625-V1017 WeakPolarHBondContact O-CA 3.18Å; G625-G1018 PolarHBondContact N-O 3.45Å; G625-G1018 PolarHBondContact O-N 3.36Å |
| 626 | F | 82.9 | Confident | 85.4 | Confident | 7 Ų | 7 | 42 Ų | 42 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 125.2 | 168 | 175.6 | -102 | 0 | 0 | 0 | 109.7 | L628 G849 V850 L862 M866 R1015 V1017 | F626-L628 HydrophobicContact CD1-CD2 4.47Å; F626-L628 HydrophobicContact CE1-CD2 3.56Å; F626-L628 HydrophobicContact CE1-CG 4.13Å; F626-L628 HydrophobicContact CZ-CD2 4.17Å; F626-G849 CarbonylContact O-C 3.53Å; F626-G849 WeakPolarHBondContact O-CA 3.5Å; F626-V850 HydrophobicContact CB-CG1 3.76Å; F626-V850 HydrophobicContact CD1-CG1 4.28Å; F626-V850 PolarHBondContact N-O 3.42Å; F626-V850 PolarHBondContact O-N 3.27Å; F626-L862 HydrophobicContact CB-CD2 4.39Å; F626-M866 HydrophobicContact CD1-CE 4.36Å; F626-M866 HydrophobicContact CD1-CG 3.98Å; F626-M866 HydrophobicContact CE1-CB 3.97Å; F626-M866 HydrophobicContact CE1-CE 4.34Å; F626-M866 HydrophobicContact CE1-CG 3.92Å; F626-R1015 HydrophobicContact CE2-CB 4.49Å; F626-V1017 HydrophobicContact CB-CG2 4.49Å; F626-V1017 HydrophobicContact CD2-CB 4.35Å; F626-V1017 HydrophobicContact CD2-CG2 3.37Å; F626-V1017 HydrophobicContact CE2-CG2 3.93Å; F626-V1017 HydrophobicContact CG-CG2 4.35Å |
| 627 | A | 80.5 | Confident | 85.6 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 131.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L816 M819 V1016 | A627-L816 HydrophobicContact CB-CB 4.35Å; A627-L816 HydrophobicContact CB-CD1 4.43Å; A627-M819 HydrophobicContact CB-CG 4.19Å; A627-V1016 PolarHBondContact N-O 3.37Å |
| 628 | L | 74.9 | Confident | 85.6 | Confident | 9 Ų | 9 | 43.9 Ų | 43.9 | 5% | 0.047 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 162.5 | 167.4 | -71.3 | -179.8 | 0 | 0 | 0 | 110.5 | F626 V848 M866 | F626-L628 HydrophobicContact CD1-CD2 4.47Å; F626-L628 HydrophobicContact CE1-CD2 3.56Å; F626-L628 HydrophobicContact CE1-CG 4.13Å; F626-L628 HydrophobicContact CZ-CD2 4.17Å; L628-V848 HydrophobicContact CB-CB 4.18Å; L628-V848 HydrophobicContact CB-CG1 4.5Å; L628-V848 WeakPolarHBondContact CB-O 3.47Å; L628-V848 HydrophobicContact CD1-CB 4.38Å; L628-V848 HydrophobicContact CD1-CG1 3.84Å; L628-V848 PolarHBondContact N-O 3.29Å; L628-M866 HydrophobicContact CD1-CE 3.33Å; L628-M866 HydrophobicContact CD2-CE 4.21Å; L628-M866 HydrophobicContact CG-CE 3.74Å |
| 629 | P | 69.6 | Low | 85.7 | Confident | 53 Ų | 53 | 44.1 Ų | 44.1 | 34% | 0.344 | 24% | 0.236 | S | C | . | . | P | Polyproline II helix | trans | -59.2 | 143.3 | 171.5 | -21.5 | 34.9 | 0 | 0 | 0 | 111 | R1015 | P629-R1015 HydrophobicContact CG-CG 4.14Š|
| 630 | N | 77 | Confident | 86 | Confident | 72 Ų | 72 | 43.9 Ų | 43.9 | 39% | 0.385 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -63.8 | 141.6 | 179.1 | -71.5 | 16.6 | 0 | 0 | 0 | 111.3 | S815 G846 | N630-S815 PolarHBondContact OD1-OG 3.25Å; N630-G846 CarbonylContact C-O 2.89Å; N630-G846 WeakPolarHBondContact CA-O 3.48Å |
| 631 | V | 79.9 | Confident | 86.4 | Confident | 29 Ų | 29 | 45 Ų | 45 | 18% | 0.176 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -102 | 137.8 | 177.7 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | Y642 G846 V848 | V631-Y642 HydrophobicContact CB-CE2 4.46Å; V631-Y642 HydrophobicContact CG1-CD2 4.15Å; V631-Y642 HydrophobicContact CG1-CE2 4Å; V631-Y642 HydrophobicContact CG2-CE1 4.44Å; V631-Y642 HydrophobicContact CG2-CE2 3.95Å; V631-G846 PolarHBondContact N-O 3.34Å; V631-G846 WeakPolarHBondContact O-CA 3.45Å; V631-V848 HydrophobicContact CG2-CG2 4.06Å |
| 632 | V | 81.3 | Confident | 86.7 | Confident | 117 Ų | 117 | 43 Ų | 43 | 71% | 0.709 | 23% | 0.23 | S | C | * | . | P | Polyproline II helix | trans | -87.2 | 125 | 175.8 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | ||
| 633 | H | 83.6 | Confident | 87 | Confident | 39 Ų | 39 | 42.2 Ų | 42.2 | 18% | 0.181 | 23% | 0.225 | C | C | . | . | trans | -111.2 | 135.1 | 173.1 | -53.1 | -60 | 0 | 0 | 0 | 109.5 | Y639 Y642 | H633-Y639 AromaticContact CD2-CD2 3.9Å; H633-Y639 AromaticContact NE2-CD2 3.87Å; H633-Y642 AromaticContact CE1-CD1 3.84Å; H633-Y642 AromaticContact CE1-CG 3.67Å | ||
| 634 | H | 85.3 | Confident | 87.2 | Confident | 170 Ų | 170 | 42.2 Ų | 42.2 | 79% | 0.787 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -92.9 | -20.8 | 179.6 | -61.6 | -62.3 | 0 | 0 | 0 | 113 | D638 | H634-D638 WeakPolarHBondContact CB-OD2 3.2Š|
| 635 | S | 92 | Very high | 87.5 | Confident | 52 Ų | 52 | 44.3 Ų | 44.3 | 36% | 0.364 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -149 | 164.4 | 178.1 | 69.1 | 0 | 0 | 0 | 0 | 111.4 | Q637 D638 Y639 | S635-Q637 PolarHBondContact O-N 3.24Å; S635-D638 PolarHBondContact N-OD2 3.39Å; S635-D638 VanDerWaalsContact N-OD2 3.08Å; S635-D638 PolarHBondContact O-N 2.95Å; S635-D638 PolarHBondContact OG-N 2.89Å; S635-D638 VanDerWaalsContact OG-N 3.09Å; S635-D638 PolarHBondContact OG-OD2 3.49Å; S635-Y639 PolarHBondContact O-N 2.78Å; S635-Y639 VanDerWaalsContact O-N 3.13Å |
| 636 | L | 91.1 | Very high | 87.7 | Confident | 103 Ų | 103 | 44.3 Ų | 44.3 | 54% | 0.539 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.5 | -34.2 | 171.9 | -112.1 | 133.8 | 0 | 0 | 0 | 111.9 | Y639 F640 | L636-Y639 WeakPolarHBondContact O-CB 3.32Å; L636-Y639 PolarHBondContact O-N 3.28Å; L636-F640 HydrophobicContact CB-CE2 4.36Å; L636-F640 HydrophobicContact CD2-CE1 4.28Å; L636-F640 HydrophobicContact CD2-CE2 3.63Å; L636-F640 HydrophobicContact CD2-CZ 3.4Å; L636-F640 WeakPolarHBondContact O-CD2 3Å; L636-F640 WeakPolarHBondContact O-CG 3.37Å; L636-F640 PolarHBondContact O-N 3.18Å |
| 637 | Q | 93.9 | Very high | 88.3 | Confident | 75 Ų | 75 | 44 Ų | 44 | 35% | 0.35 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -67.9 | -38 | 176.4 | -169.4 | 59.6 | 43.8 | 0 | 0 | 111.9 | S635 Y639 F640 N641 S738 | S635-Q637 PolarHBondContact O-N 3.24Å; Q637-Y639 VanDerWaalsContact C-N 3.29Å; Q637-Y639 PolarHBondContact O-N 2.72Å; Q637-F640 PolarHBondContact O-N 2.93Å; Q637-N641 PolarHBondContact NE2-OD1 3.44Å; Q637-N641 WeakPolarHBondContact O-CB 3.43Å; Q637-N641 PolarHBondContact O-N 3.28Å; Q637-N641 PolarHBondContact O-ND2 3.43Å; Q637-N641 PolarHBondContact O-OD1 2.84Å; Q637-S738 PolarHBondContact NE2-OG 3.4Å |
| 638 | D | 92.1 | Very high | 88.9 | Confident | 64 Ų | 64 | 46.1 Ų | 46.1 | 34% | 0.342 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64 | -38 | 174.3 | -61.5 | -38.7 | 0 | 0 | 0 | 111.5 | H634 S635 N641 Y642 | H634-D638 WeakPolarHBondContact CB-OD2 3.2Å; S635-D638 PolarHBondContact N-OD2 3.39Å; S635-D638 VanDerWaalsContact N-OD2 3.08Å; S635-D638 PolarHBondContact O-N 2.95Å; S635-D638 PolarHBondContact OG-N 2.89Å; S635-D638 VanDerWaalsContact OG-N 3.09Å; S635-D638 PolarHBondContact OG-OD2 3.49Å; D638-N641 PolarHBondContact O-N 3.04Å; D638-Y642 WeakPolarHBondContact O-CB 3.32Å; D638-Y642 PolarHBondContact O-N 2.94Å |
| 639 | Y | 94.5 | Very high | 89.4 | Confident | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60 | -49.4 | 172 | 169.7 | -95.6 | 0 | 0 | 0 | 111.3 | H633 S635 L636 Q637 N641 Y642 V643 L799 L842 T843 Y844 | H633-Y639 AromaticContact CD2-CD2 3.9Å; H633-Y639 AromaticContact NE2-CD2 3.87Å; S635-Y639 PolarHBondContact O-N 2.78Å; S635-Y639 VanDerWaalsContact O-N 3.13Å; L636-Y639 WeakPolarHBondContact O-CB 3.32Å; L636-Y639 PolarHBondContact O-N 3.28Å; Q637-Y639 VanDerWaalsContact C-N 3.29Å; Q637-Y639 PolarHBondContact O-N 2.72Å; Y639-N641 VanDerWaalsContact C-N 3.33Å; Y639-N641 PolarHBondContact O-N 2.87Å; Y639-Y642 WeakPolarHBondContact O-CB 3.18Å; Y639-Y642 PolarHBondContact O-N 3.41Å; Y639-Y642 VanDerWaalsContact O-N 3.14Å; Y639-V643 HydrophobicContact CD1-CG2 4.2Å; Y639-V643 HydrophobicContact CD2-CG2 4.25Å; Y639-V643 HydrophobicContact CE1-CG2 3.75Å; Y639-V643 HydrophobicContact CE2-CG2 3.83Å; Y639-V643 HydrophobicContact CG-CG2 4.43Å; Y639-V643 VanDerWaalsContact O-CG2 3.26Å; Y639-V643 WeakPolarHBondContact O-CG2 3.33Å; Y639-V643 PolarHBondContact O-N 3.02Å; Y639-L799 HydrophobicContact CE1-CD2 4.34Å; Y639-L799 WeakPolarHBondContact OH-CD2 2.97Å; Y639-L842 HydrophobicContact CE2-CB 4.16Å; Y639-L842 PolarHBondContact OH-O 3.19Å; Y639-L842 VanDerWaalsContact OH-O 3.05Å; Y639-T843 WeakPolarHBondContact CE2-O 3.39Å; Y639-Y844 AromaticContact CD1-CD1 3.81Å; Y639-Y844 HydrophobicContact CD1-CD1 3.81Å; Y639-Y844 AromaticContact CD1-CE1 3.87Å; Y639-Y844 HydrophobicContact CD1-CE1 3.87Å; Y639-Y844 HydrophobicContact CD2-CD1 4.27Å; Y639-Y844 AromaticContact CE1-CD1 3.55Å; Y639-Y844 HydrophobicContact CE1-CD1 3.55Å; Y639-Y844 AromaticContact CE1-CE1 3.38Å; Y639-Y844 HydrophobicContact CE1-CE1 3.38Å; Y639-Y844 HydrophobicContact CE2-CD1 4.03Å; Y639-Y844 HydrophobicContact CG-CD1 4.16Å; Y639-Y844 AromaticContact CZ-CD1 3.65Å; Y639-Y844 AromaticContact CZ-CE1 3.79Å |
| 640 | F | 96.5 | Very high | 90.5 | Very high | 6 Ų | 6 | 43.3 Ų | 43.3 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.7 | -39 | 177.8 | -62.2 | -45 | 0 | 0 | 0 | 113 | L636 Q637 Y642 V643 A644 S738 L741 V745 | L636-F640 HydrophobicContact CB-CE2 4.36Å; L636-F640 HydrophobicContact CD2-CE1 4.28Å; L636-F640 HydrophobicContact CD2-CE2 3.63Å; L636-F640 HydrophobicContact CD2-CZ 3.4Å; L636-F640 WeakPolarHBondContact O-CD2 3Å; L636-F640 WeakPolarHBondContact O-CG 3.37Å; L636-F640 PolarHBondContact O-N 3.18Å; Q637-F640 PolarHBondContact O-N 2.93Å; F640-Y642 VanDerWaalsContact C-N 3.32Å; F640-Y642 PolarHBondContact O-N 3.3Å; F640-V643 PolarHBondContact O-N 2.9Å; F640-A644 VanDerWaalsContact O-CB 3.3Å; F640-A644 WeakPolarHBondContact O-CB 3.23Å; F640-A644 PolarHBondContact O-N 3.29Å; F640-S738 WeakPolarHBondContact CB-OG 3.31Å; F640-L741 HydrophobicContact CD1-CB 3.96Å; F640-L741 HydrophobicContact CG-CB 4.46Å; F640-V745 HydrophobicContact CE1-CB 4.38Å; F640-V745 HydrophobicContact CE1-CG2 3.72Å; F640-V745 HydrophobicContact CZ-CB 4.1Å; F640-V745 HydrophobicContact CZ-CG1 4.42Å; F640-V745 HydrophobicContact CZ-CG2 3.94Å |
| 641 | N | 94.9 | Very high | 91.2 | Very high | 59 Ų | 59 | 40.1 Ų | 40.1 | 32% | 0.316 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63 | -40 | 174.4 | -67.8 | -18.4 | 0 | 0 | 0 | 111.6 | Q637 D638 Y639 T645 S738 | Q637-N641 PolarHBondContact NE2-OD1 3.44Å; Q637-N641 WeakPolarHBondContact O-CB 3.43Å; Q637-N641 PolarHBondContact O-N 3.28Å; Q637-N641 PolarHBondContact O-ND2 3.43Å; Q637-N641 PolarHBondContact O-OD1 2.84Å; D638-N641 PolarHBondContact O-N 3.04Å; Y639-N641 VanDerWaalsContact C-N 3.33Å; Y639-N641 PolarHBondContact O-N 2.87Å; N641-T645 WeakPolarHBondContact O-CB 3.32Å; N641-T645 PolarHBondContact O-N 3.33Å; N641-T645 PolarHBondContact O-OG1 3.21Å; N641-S738 PolarHBondContact N-OG 2.78Å; N641-S738 WeakPolarHBondContact OD1-CB 3.37Å; N641-S738 PolarHBondContact OD1-OG 3.15Å |
| 642 | Y | 93.6 | Very high | 91.5 | Very high | 24 Ų | 24 | 41 Ų | 41 | 9% | 0.094 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.4 | -48.8 | 175.5 | -179.4 | -93.2 | 0 | 0 | 0 | 111.5 | V631 H633 D638 Y639 F640 A644 T645 F646 L842 V848 L873 | V631-Y642 HydrophobicContact CB-CE2 4.46Å; V631-Y642 HydrophobicContact CG1-CD2 4.15Å; V631-Y642 HydrophobicContact CG1-CE2 4Å; V631-Y642 HydrophobicContact CG2-CE1 4.44Å; V631-Y642 HydrophobicContact CG2-CE2 3.95Å; H633-Y642 AromaticContact CE1-CD1 3.84Å; H633-Y642 AromaticContact CE1-CG 3.67Å; D638-Y642 WeakPolarHBondContact O-CB 3.32Å; D638-Y642 PolarHBondContact O-N 2.94Å; Y639-Y642 WeakPolarHBondContact O-CB 3.18Å; Y639-Y642 PolarHBondContact O-N 3.41Å; Y639-Y642 VanDerWaalsContact O-N 3.14Å; F640-Y642 VanDerWaalsContact C-N 3.32Å; F640-Y642 PolarHBondContact O-N 3.3Å; Y642-A644 VanDerWaalsContact C-N 3.34Å; Y642-A644 PolarHBondContact O-N 3.01Å; Y642-T645 PolarHBondContact O-N 3.5Å; Y642-T645 VanDerWaalsContact O-N 3.16Å; Y642-F646 WeakPolarHBondContact O-CB 3.46Å; Y642-F646 PolarHBondContact O-N 2.62Å; Y642-L842 HydrophobicContact CD1-CD2 3.8Å; Y642-L842 HydrophobicContact CE1-CD2 3.63Å; Y642-V848 HydrophobicContact CE1-CG1 4.49Å; Y642-V848 HydrophobicContact CE1-CG2 3.67Å; Y642-L873 HydrophobicContact CD2-CD2 4.24Å; Y642-L873 HydrophobicContact CE2-CD1 3.96Å; Y642-L873 HydrophobicContact CE2-CD2 3.93Å; Y642-L873 HydrophobicContact CE2-CG 4.45Å |
| 643 | V | 95.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.6 | -45 | 177.5 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | Y639 F640 T645 F646 I647 L741 V797 L799 L842 | Y639-V643 HydrophobicContact CD1-CG2 4.2Å; Y639-V643 HydrophobicContact CD2-CG2 4.25Å; Y639-V643 HydrophobicContact CE1-CG2 3.75Å; Y639-V643 HydrophobicContact CE2-CG2 3.83Å; Y639-V643 HydrophobicContact CG-CG2 4.43Å; Y639-V643 VanDerWaalsContact O-CG2 3.26Å; Y639-V643 WeakPolarHBondContact O-CG2 3.33Å; Y639-V643 PolarHBondContact O-N 3.02Å; F640-V643 PolarHBondContact O-N 2.9Å; V643-T645 VanDerWaalsContact C-N 3.32Å; V643-T645 PolarHBondContact O-N 3.03Å; V643-F646 WeakPolarHBondContact O-CB 3.26Å; V643-F646 PolarHBondContact O-N 2.85Å; V643-I647 HydrophobicContact CG1-CD1 3.96Å; V643-I647 HydrophobicContact CG1-CG1 4.46Å; V643-I647 WeakPolarHBondContact O-CG1 3.28Å; V643-I647 PolarHBondContact O-N 3.4Å; V643-L741 HydrophobicContact CB-CD1 3.87Å; V643-L741 HydrophobicContact CG1-CD1 3.58Å; V643-L741 HydrophobicContact CG1-CD2 4.04Å; V643-L741 HydrophobicContact CG1-CG 4.47Å; V643-V797 HydrophobicContact CG1-CG1 4.17Å; V643-L799 HydrophobicContact CG1-CD2 3.92Å; V643-L799 HydrophobicContact CG2-CD2 4.19Å; V643-L842 HydrophobicContact CB-CD2 4.46Å; V643-L842 HydrophobicContact CG2-CB 4.24Å; V643-L842 HydrophobicContact CG2-CD2 3.87Å; V643-L842 HydrophobicContact CG2-CG 4.48Å |
| 644 | A | 96.5 | Very high | 92 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.8 | -42.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | F640 Y642 I647 H648 L734 L737 L741 | F640-A644 VanDerWaalsContact O-CB 3.3Å; F640-A644 WeakPolarHBondContact O-CB 3.23Å; F640-A644 PolarHBondContact O-N 3.29Å; Y642-A644 VanDerWaalsContact C-N 3.34Å; Y642-A644 PolarHBondContact O-N 3.01Å; A644-I647 PolarHBondContact O-N 2.74Å; A644-H648 WeakPolarHBondContact O-CB 3.4Å; A644-H648 PolarHBondContact O-N 3.42Å; A644-L734 HydrophobicContact CB-CD2 4.46Å; A644-L737 HydrophobicContact CB-CB 3.86Å; A644-L741 HydrophobicContact CB-CD1 4.15Å |
| 645 | T | 93.4 | Very high | 92.1 | Very high | 47 Ų | 47 | 27.9 Ų | 27.9 | 29% | 0.288 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -66.5 | -39.3 | 177 | -53.1 | 0 | 0 | 0 | 0 | 111.6 | N641 Y642 V643 H648 G649 L873 | N641-T645 WeakPolarHBondContact O-CB 3.32Å; N641-T645 PolarHBondContact O-N 3.33Å; N641-T645 PolarHBondContact O-OG1 3.21Å; Y642-T645 PolarHBondContact O-N 3.5Å; Y642-T645 VanDerWaalsContact O-N 3.16Å; V643-T645 VanDerWaalsContact C-N 3.32Å; V643-T645 PolarHBondContact O-N 3.03Å; T645-H648 PolarHBondContact O-N 2.84Å; T645-G649 PolarHBondContact O-N 2.84Å; T645-L873 HydrophobicContact CG2-CD2 3.48Å; T645-L873 VanDerWaalsContact CG2-CD2 3.48Å |
| 646 | F | 92.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61 | -52 | 175.1 | -171.4 | -76.2 | 0 | 0 | 0 | 111 | Y642 V643 H648 G649 V650 F840 L842 V848 M866 V869 L873 | Y642-F646 WeakPolarHBondContact O-CB 3.46Å; Y642-F646 PolarHBondContact O-N 2.62Å; V643-F646 WeakPolarHBondContact O-CB 3.26Å; V643-F646 PolarHBondContact O-N 2.85Å; F646-H648 VanDerWaalsContact C-N 3.3Å; F646-H648 PolarHBondContact O-N 3.34Å; F646-G649 WeakPolarHBondContact O-CA 3.33Å; F646-G649 PolarHBondContact O-N 2.82Å; F646-V650 HydrophobicContact CD1-CG2 3.98Å; F646-V650 HydrophobicContact CE1-CG2 3.64Å; F646-V650 HydrophobicContact CZ-CG2 4.46Å; F646-V650 WeakPolarHBondContact O-CG2 3.38Å; F646-V650 PolarHBondContact O-N 3.28Å; F646-F840 HydrophobicContact CD1-CB 4.49Å; F646-F840 HydrophobicContact CD1-CG 4.46Å; F646-F840 HydrophobicContact CE1-CB 3.7Å; F646-F840 AromaticContact CE1-CD1 3.44Å; F646-F840 HydrophobicContact CE1-CD1 3.44Å; F646-F840 VanDerWaalsContact CE1-CD1 3.44Å; F646-F840 AromaticContact CE1-CD2 3.99Å; F646-F840 HydrophobicContact CE1-CD2 3.99Å; F646-F840 HydrophobicContact CE1-CE1 4.03Å; F646-F840 AromaticContact CE1-CG 3.41Å; F646-F840 HydrophobicContact CE1-CG 3.41Å; F646-F840 VanDerWaalsContact CE1-CG 3.41Å; F646-F840 HydrophobicContact CZ-CB 4.24Å; F646-F840 AromaticContact CZ-CD1 3.49Å; F646-F840 HydrophobicContact CZ-CD1 3.49Å; F646-F840 VanDerWaalsContact CZ-CD1 3.49Å; F646-F840 HydrophobicContact CZ-CE1 4.04Å; F646-F840 AromaticContact CZ-CG 3.95Å; F646-F840 HydrophobicContact CZ-CG 3.95Å; F646-L842 HydrophobicContact CB-CD2 4.4Å; F646-L842 HydrophobicContact CD2-CD2 4.45Å; F646-L842 HydrophobicContact CG-CD2 4.32Å; F646-V848 HydrophobicContact CD2-CG1 4.23Å; F646-V848 HydrophobicContact CE2-CG1 3.82Å; F646-M866 HydrophobicContact CE2-CE 4.34Å; F646-M866 HydrophobicContact CZ-CE 4.19Å; F646-V869 HydrophobicContact CD2-CG1 3.63Å; F646-V869 HydrophobicContact CE2-CG1 3.61Å; F646-V869 HydrophobicContact CG-CG1 4.11Å; F646-V869 HydrophobicContact CZ-CG1 4.07Å; F646-L873 HydrophobicContact CD2-CD1 3.91Å |
| 647 | I | 95.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -55.6 | -47.2 | 177 | -69.9 | 170.8 | 0 | 0 | 0 | 110.4 | V643 A644 G649 V650 F651 L723 V725 L737 L741 F795 V797 | V643-I647 HydrophobicContact CG1-CD1 3.96Å; V643-I647 HydrophobicContact CG1-CG1 4.46Å; V643-I647 WeakPolarHBondContact O-CG1 3.28Å; V643-I647 PolarHBondContact O-N 3.4Å; A644-I647 PolarHBondContact O-N 2.74Å; I647-G649 VanDerWaalsContact C-N 3.3Å; I647-G649 PolarHBondContact O-N 3.22Å; I647-V650 PolarHBondContact O-N 3.46Å; I647-F651 HydrophobicContact CG2-CD2 4.12Å; I647-F651 HydrophobicContact CG2-CE2 4.34Å; I647-F651 PolarHBondContact O-N 3.44Å; I647-L723 HydrophobicContact CD1-CD2 3.9Å; I647-V725 HydrophobicContact CG2-CG1 4.04Å; I647-V725 HydrophobicContact CG2-CG2 3.98Å; I647-L737 HydrophobicContact CG2-CD1 4.38Å; I647-L741 HydrophobicContact CD1-CD1 4.31Å; I647-L741 HydrophobicContact CD1-CD2 4.37Å; I647-F795 HydrophobicContact CB-CZ 4.5Å; I647-F795 HydrophobicContact CG1-CE2 4.31Å; I647-F795 HydrophobicContact CG2-CZ 4.07Å; I647-V797 HydrophobicContact CD1-CG2 4.05Å; I647-V797 HydrophobicContact CG1-CG2 3.95Å |
| 648 | H | 92.9 | Very high | 90.9 | Very high | 46 Ų | 46 | 22.6 Ų | 22.6 | 21% | 0.213 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.8 | -38.5 | 178 | -169.4 | -51.4 | 0 | 0 | 0 | 111.9 | A644 T645 F646 F651 D652 L734 | A644-H648 WeakPolarHBondContact O-CB 3.4Å; A644-H648 PolarHBondContact O-N 3.42Å; T645-H648 PolarHBondContact O-N 2.84Å; F646-H648 VanDerWaalsContact C-N 3.3Å; F646-H648 PolarHBondContact O-N 3.34Å; H648-F651 PolarHBondContact O-N 3.01Å; H648-D652 WeakPolarHBondContact O-CB 3.31Å; H648-D652 PolarHBondContact O-N 3.32Å; H648-L734 HydrophobicContact CB-CD2 3.75Å |
| 649 | G | 86.3 | Confident | 90.5 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 3% | 0.031 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.9 | -39.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | T645 F646 I647 D652 F653 | T645-G649 PolarHBondContact O-N 2.84Å; F646-G649 WeakPolarHBondContact O-CA 3.33Å; F646-G649 PolarHBondContact O-N 2.82Å; I647-G649 VanDerWaalsContact C-N 3.3Å; I647-G649 PolarHBondContact O-N 3.22Å; G649-D652 PolarHBondContact O-N 3.39Å; G649-F653 PolarHBondContact O-N 3.26Å; G649-F653 VanDerWaalsContact O-N 3.09Å |
| 650 | V | 91.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.2 | -43.5 | 176.7 | -179.5 | 0 | 0 | 0 | 0 | 111.1 | F646 I647 D652 F653 K654 F685 F795 F840 L865 V869 | F646-V650 HydrophobicContact CD1-CG2 3.98Å; F646-V650 HydrophobicContact CE1-CG2 3.64Å; F646-V650 HydrophobicContact CZ-CG2 4.46Å; F646-V650 WeakPolarHBondContact O-CG2 3.38Å; F646-V650 PolarHBondContact O-N 3.28Å; I647-V650 PolarHBondContact O-N 3.46Å; V650-D652 VanDerWaalsContact C-N 3.32Å; V650-D652 PolarHBondContact O-N 3.15Å; V650-F653 WeakPolarHBondContact O-CB 3.17Å; V650-F653 PolarHBondContact O-N 3.25Å; V650-K654 PolarHBondContact O-N 2.76Å; V650-F685 HydrophobicContact CG1-CE1 3.64Å; V650-F685 HydrophobicContact CG1-CZ 3.68Å; V650-F795 HydrophobicContact CB-CE1 3.78Å; V650-F795 HydrophobicContact CB-CZ 3.88Å; V650-F795 HydrophobicContact CG1-CD1 3.61Å; V650-F795 HydrophobicContact CG1-CE1 3.29Å; V650-F795 HydrophobicContact CG1-CG 4.42Å; V650-F795 HydrophobicContact CG1-CZ 3.86Å; V650-F795 HydrophobicContact CG2-CZ 4.49Å; V650-F840 HydrophobicContact CB-CE2 4.47Å; V650-F840 HydrophobicContact CG1-CE2 3.83Å; V650-F840 HydrophobicContact CG1-CZ 4.06Å; V650-F840 HydrophobicContact CG2-CD2 4.37Å; V650-F840 HydrophobicContact CG2-CE1 4.44Å; V650-F840 HydrophobicContact CG2-CE2 3.86Å; V650-F840 HydrophobicContact CG2-CZ 3.9Å; V650-L865 HydrophobicContact CG1-CD1 4.22Å; V650-L865 HydrophobicContact CG2-CD1 4.49Å; V650-V869 HydrophobicContact CG2-CG2 3.81Å |
| 651 | F | 93 | Very high | 88.9 | Confident | 5 Ų | 5 | 32 Ų | 32 | 2% | 0.022 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.3 | -32.6 | 176.1 | -91.2 | -86 | 0 | 0 | 0 | 113.1 | I647 H648 K654 S655 E710 V725 V726 I731 T794 F795 | I647-F651 HydrophobicContact CG2-CD2 4.12Å; I647-F651 HydrophobicContact CG2-CE2 4.34Å; I647-F651 PolarHBondContact O-N 3.44Å; H648-F651 PolarHBondContact O-N 3.01Å; F651-K654 PolarHBondContact O-N 3.45Å; F651-S655 PolarHBondContact O-N 3.48Å; F651-E710 HydrophobicContact CE1-CB 3.93Å; F651-E710 HydrophobicContact CZ-CB 4.37Å; F651-V725 HydrophobicContact CD1-CG1 4.38Å; F651-V725 HydrophobicContact CD2-CB 4.07Å; F651-V725 HydrophobicContact CD2-CG1 3.47Å; F651-V725 VanDerWaalsContact CD2-CG1 3.47Å; F651-V725 HydrophobicContact CD2-CG2 4.39Å; F651-V725 HydrophobicContact CE1-CB 4.34Å; F651-V725 HydrophobicContact CE1-CG1 4.42Å; F651-V725 HydrophobicContact CE2-CB 3.55Å; F651-V725 HydrophobicContact CE2-CG1 3.52Å; F651-V725 HydrophobicContact CE2-CG2 3.67Å; F651-V725 HydrophobicContact CG-CG1 3.92Å; F651-V725 HydrophobicContact CZ-CB 3.7Å; F651-V725 HydrophobicContact CZ-CG1 4.01Å; F651-V725 HydrophobicContact CZ-CG2 4.1Å; F651-V726 HydrophobicContact CD1-CG2 3.59Å; F651-V726 HydrophobicContact CE1-CG2 3.63Å; F651-I731 HydrophobicContact CB-CD1 3.85Å; F651-I731 HydrophobicContact CB-CG1 4.3Å; F651-T794 HydrophobicContact CE1-CG2 4.16Å; F651-T794 HydrophobicContact CZ-CG2 4.05Å; F651-T794 WeakPolarHBondContact CZ-OG1 3.42Å; F651-F795 AromaticContact CD2-CE1 3.61Å; F651-F795 HydrophobicContact CD2-CE1 3.61Å; F651-F795 AromaticContact CD2-CZ 3.77Å; F651-F795 HydrophobicContact CD2-CZ 3.77Å; F651-F795 HydrophobicContact CE2-CD1 4.42Å; F651-F795 AromaticContact CE2-CE1 3.39Å; F651-F795 HydrophobicContact CE2-CE1 3.39Å; F651-F795 AromaticContact CE2-CZ 3.6Å; F651-F795 HydrophobicContact CE2-CZ 3.6Å; F651-F795 HydrophobicContact CZ-CE1 4.21Å |
| 652 | D | 85.5 | Confident | 87.8 | Confident | 47 Ų | 47 | 30 Ų | 30 | 25% | 0.251 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -62.8 | -44.7 | 171.9 | -172.1 | 59.9 | 0 | 0 | 0 | 111 | H648 G649 V650 S655 L656 H868 R872 | H648-D652 WeakPolarHBondContact O-CB 3.31Å; H648-D652 PolarHBondContact O-N 3.32Å; G649-D652 PolarHBondContact O-N 3.39Å; V650-D652 VanDerWaalsContact C-N 3.32Å; V650-D652 PolarHBondContact O-N 3.15Å; D652-S655 VanDerWaalsContact O-CB 3.31Å; D652-S655 WeakPolarHBondContact O-CB 3.35Å; D652-S655 PolarHBondContact O-N 3.45Å; D652-S655 VanDerWaalsContact O-N 3.16Å; D652-L656 PolarHBondContact O-N 3.41Å; D652-H868 IonicContact OD2-CE1 3.16Å; D652-H868 IonicContact OD2-NE2 2.73Å; D652-H868 PolarHBondContact OD2-NE2 3.28Å; D652-R872 IonicContact OD2-NE 2.69Å |
| 653 | F | 85.4 | Confident | 86.7 | Confident | 6 Ų | 6 | 32.4 Ų | 32.4 | 3% | 0.026 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.9 | -43.3 | 173.6 | -170 | -103.4 | 0 | 0 | 0 | 112.5 | G649 V650 S655 L656 I657 I662 F681 I684 F685 T864 L865 H868 | G649-F653 PolarHBondContact O-N 3.26Å; G649-F653 VanDerWaalsContact O-N 3.09Å; V650-F653 WeakPolarHBondContact O-CB 3.17Å; V650-F653 PolarHBondContact O-N 3.25Å; F653-S655 PolarHBondContact O-N 3.13Å; F653-L656 HydrophobicContact CD2-CD1 4.4Å; F653-L656 WeakPolarHBondContact O-CA 3.17Å; F653-L656 VanDerWaalsContact O-CB 3.31Å; F653-L656 WeakPolarHBondContact O-CB 3.29Å; F653-L656 PolarHBondContact O-N 3.31Å; F653-I657 HydrophobicContact CD1-CD1 3.83Å; F653-I657 HydrophobicContact CD1-CG1 4.23Å; F653-I657 HydrophobicContact CE1-CD1 3.68Å; F653-I657 HydrophobicContact CE1-CG1 4.1Å; F653-I657 PolarHBondContact O-N 2.97Å; F653-I662 HydrophobicContact CE1-CD1 4.04Å; F653-I662 HydrophobicContact CE2-CD1 3.96Å; F653-I662 HydrophobicContact CZ-CD1 3.56Å; F653-F681 HydrophobicContact CZ-CD1 4.45Å; F653-F681 HydrophobicContact CZ-CE1 4.47Å; F653-I684 HydrophobicContact CE1-CD1 4.38Å; F653-F685 HydrophobicContact CD1-CE2 4.16Å; F653-F685 HydrophobicContact CD1-CZ 4.44Å; F653-T864 HydrophobicContact CE2-CG2 4.07Å; F653-T864 HydrophobicContact CZ-CG2 3.95Å; F653-L865 HydrophobicContact CB-CD1 3.72Å; F653-L865 HydrophobicContact CD1-CB 3.93Å; F653-L865 HydrophobicContact CD1-CD1 3.41Å; F653-L865 VanDerWaalsContact CD1-CD1 3.41Å; F653-L865 HydrophobicContact CD1-CG 4.17Å; F653-L865 HydrophobicContact CE1-CB 3.68Å; F653-L865 HydrophobicContact CE1-CD1 4.1Å; F653-L865 HydrophobicContact CE1-CG 4.41Å; F653-L865 HydrophobicContact CG-CD1 3.65Å; F653-L865 HydrophobicContact CZ-CB 4.16Å; F653-H868 HydrophobicContact CD2-CB 3.5Å; F653-H868 VanDerWaalsContact CD2-CB 3.5Å; F653-H868 AromaticContact CD2-CD2 3.92Å; F653-H868 AromaticContact CD2-CG 3.55Å; F653-H868 HydrophobicContact CE2-CB 4.01Å; F653-H868 HydrophobicContact CG-CB 4.31Å |
| 654 | K | 90.6 | Very high | 85.6 | Confident | 16 Ų | 16 | 35.9 Ų | 35.9 | 7% | 0.07 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.1 | -40.9 | 172.7 | 177 | 172.8 | -178.9 | -68.4 | 0 | 111.5 | V650 F651 L656 I657 D658 F685 E710 T794 | V650-K654 PolarHBondContact O-N 2.76Å; F651-K654 PolarHBondContact O-N 3.45Å; K654-L656 PolarHBondContact O-N 2.73Å; K654-I657 WeakPolarHBondContact O-CA 2.93Å; K654-I657 WeakPolarHBondContact O-CB 3.21Å; K654-I657 PolarHBondContact O-N 3.22Å; K654-D658 WeakPolarHBondContact CG-OD2 3.38Å; K654-D658 IonicContact NZ-OD2 2.86Å; K654-D658 PolarHBondContact NZ-OD2 3.09Å; K654-D658 PolarHBondContact O-N 3.32Å; K654-F685 HydrophobicContact CB-CD2 3.71Å; K654-F685 HydrophobicContact CB-CE2 3.68Å; K654-F685 HydrophobicContact CB-CG 4.45Å; K654-F685 HydrophobicContact CB-CZ 4.42Å; K654-F685 HydrophobicContact CD-CB 4.08Å; K654-F685 HydrophobicContact CD-CD2 4.08Å; K654-F685 HydrophobicContact CD-CG 4.12Å; K654-F685 HydrophobicContact CG-CD2 3.78Å; K654-F685 HydrophobicContact CG-CE2 4.28Å; K654-F685 HydrophobicContact CG-CG 4.33Å; K654-E710 WeakPolarHBondContact CE-OE2 3.48Å; K654-E710 IonicContact NZ-OE1 3.99Å; K654-E710 PolarHBondContact NZ-OE1 3.5Å; K654-E710 IonicContact NZ-OE2 2.73Å; K654-E710 PolarHBondContact NZ-OE2 2.95Å; K654-T794 HydrophobicContact CD-CG2 3.37Å |
| 655 | S | 86.3 | Confident | 84.5 | Confident | 29 Ų | 29 | 38 Ų | 38 | 20% | 0.203 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.8 | -35.6 | 176.3 | -154.9 | 0 | 0 | 0 | 0 | 112.4 | F651 D652 F653 R659 | F651-S655 PolarHBondContact O-N 3.48Å; D652-S655 VanDerWaalsContact O-CB 3.31Å; D652-S655 WeakPolarHBondContact O-CB 3.35Å; D652-S655 PolarHBondContact O-N 3.45Å; D652-S655 VanDerWaalsContact O-N 3.16Å; F653-S655 PolarHBondContact O-N 3.13Å; S655-R659 WeakPolarHBondContact O-CB 3.44Å; S655-R659 WeakPolarHBondContact O-CD 3.5Å; S655-R659 WeakPolarHBondContact O-CG 2.84Å; S655-R659 PolarHBondContact O-N 3.48Å; S655-R659 VanDerWaalsContact O-N 3.08Å; S655-R659 VanDerWaalsContact OG-CZ 3.28Å; S655-R659 PolarHBondContact OG-NE 3.49Å; S655-R659 PolarHBondContact OG-NH2 3.04Å; S655-R659 VanDerWaalsContact OG-NH2 3.09Å |
| 656 | L | 83.3 | Confident | 83.5 | Confident | 53 Ų | 53 | 41.5 Ų | 41.5 | 28% | 0.277 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.9 | -40.3 | 172.3 | -61.7 | 173.8 | 0 | 0 | 0 | 111.8 | D652 F653 K654 K660 A661 I662 | D652-L656 PolarHBondContact O-N 3.41Å; F653-L656 HydrophobicContact CD2-CD1 4.4Å; F653-L656 WeakPolarHBondContact O-CA 3.17Å; F653-L656 VanDerWaalsContact O-CB 3.31Å; F653-L656 WeakPolarHBondContact O-CB 3.29Å; F653-L656 PolarHBondContact O-N 3.31Å; K654-L656 PolarHBondContact O-N 2.73Å; L656-K660 CarbonylContact O-C 3.55Å; L656-K660 PolarHBondContact O-N 2.93Å; L656-K660 VanDerWaalsContact O-N 3.1Å; L656-A661 HydrophobicContact CD2-CB 4.12Å; L656-A661 PolarHBondContact O-N 3.46Å; L656-I662 HydrophobicContact CB-CG1 4.04Å |
| 657 | I | 85.7 | Confident | 82.5 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.015 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.2 | -50.8 | 175.1 | -65.6 | 178.2 | 0 | 0 | 0 | 110.8 | F653 K654 R659 K660 I662 F681 W682 I684 F685 | F653-I657 HydrophobicContact CD1-CD1 3.83Å; F653-I657 HydrophobicContact CD1-CG1 4.23Å; F653-I657 HydrophobicContact CE1-CD1 3.68Å; F653-I657 HydrophobicContact CE1-CG1 4.1Å; F653-I657 PolarHBondContact O-N 2.97Å; K654-I657 WeakPolarHBondContact O-CA 2.93Å; K654-I657 WeakPolarHBondContact O-CB 3.21Å; K654-I657 PolarHBondContact O-N 3.22Å; I657-R659 VanDerWaalsContact C-N 3.26Å; I657-R659 PolarHBondContact O-N 3.38Å; I657-K660 WeakPolarHBondContact O-CA 3.33Å; I657-K660 PolarHBondContact O-N 3.01Å; I657-I662 HydrophobicContact CD1-CD1 4.34Å; I657-I662 HydrophobicContact CG1-CD1 3.43Å; I657-I662 VanDerWaalsContact CG1-CD1 3.43Å; I657-I662 HydrophobicContact CG1-CG1 4.36Å; I657-F681 WeakPolarHBondContact CG2-O 3.33Å; I657-W682 HydrophobicContact CG2-CE3 3.88Å; I657-W682 HydrophobicContact CG2-CZ3 4.48Å; I657-I684 HydrophobicContact CD1-CD1 3.49Å; I657-I684 VanDerWaalsContact CD1-CD1 3.49Å; I657-I684 HydrophobicContact CD1-CG1 3.79Å; I657-F685 HydrophobicContact CD1-CD2 3.76Å; I657-F685 HydrophobicContact CD1-CE2 3.52Å |
| 658 | D | 84.5 | Confident | 80.8 | Confident | 63 Ų | 63 | 44.8 Ų | 44.8 | 34% | 0.337 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.5 | -34.8 | -176.5 | -70.8 | -29.8 | 0 | 0 | 0 | 112.1 | K654 K660 K703 | K654-D658 WeakPolarHBondContact CG-OD2 3.38Å; K654-D658 IonicContact NZ-OD2 2.86Å; K654-D658 PolarHBondContact NZ-OD2 3.09Å; K654-D658 PolarHBondContact O-N 3.32Å; D658-K660 VanDerWaalsContact C-N 3.25Å; D658-K660 PolarHBondContact O-N 3.38Å; D658-K703 IonicContact OD1-NZ 3.93Å; D658-K703 PolarHBondContact OD1-NZ 3.44Å |
| 659 | R | 82.9 | Confident | 79 | Confident | 189 Ų | 189 | 45.7 Ų | 45.7 | 71% | 0.713 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | 1.2 | 173.8 | -61.7 | 172.5 | -165 | -179.2 | 6.7 | 113.3 | S655 I657 A661 | S655-R659 WeakPolarHBondContact O-CB 3.44Å; S655-R659 WeakPolarHBondContact O-CD 3.5Å; S655-R659 WeakPolarHBondContact O-CG 2.84Å; S655-R659 PolarHBondContact O-N 3.48Å; S655-R659 VanDerWaalsContact O-N 3.08Å; S655-R659 VanDerWaalsContact OG-CZ 3.28Å; S655-R659 PolarHBondContact OG-NE 3.49Å; S655-R659 PolarHBondContact OG-NH2 3.04Å; S655-R659 VanDerWaalsContact OG-NH2 3.09Å; I657-R659 VanDerWaalsContact C-N 3.26Å; I657-R659 PolarHBondContact O-N 3.38Å; R659-A661 HydrophobicContact CB-CB 4.24Å; R659-A661 PolarHBondContact O-N 2.9Å |
| 660 | K | 79.3 | Confident | 77.2 | Confident | 29 Ų | 29 | 53.2 Ų | 53.2 | 13% | 0.126 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 37.7 | -172.6 | -61.8 | -174.9 | 176.2 | 177.3 | 0 | 113.1 | G530 R533 E534 L656 I657 D658 W682 | G530-K660 PolarHBondContact O-NZ 3.3Å; R533-K660 HydrophobicContact CB-CD 4.15Å; R533-K660 PolarHBondContact NH1-O 3.49Å; E534-K660 VanDerWaalsContact CD-NZ 3.33Å; E534-K660 VanDerWaalsContact CG-NZ 3.31Å; E534-K660 IonicContact OE2-NZ 2.89Å; E534-K660 PolarHBondContact OE2-NZ 2.79Å; L656-K660 CarbonylContact O-C 3.55Å; L656-K660 PolarHBondContact O-N 2.93Å; L656-K660 VanDerWaalsContact O-N 3.1Å; I657-K660 WeakPolarHBondContact O-CA 3.33Å; I657-K660 PolarHBondContact O-N 3.01Å; D658-K660 VanDerWaalsContact C-N 3.25Å; D658-K660 PolarHBondContact O-N 3.38Å; K660-W682 HydrophobicContact CB-CH2 4.13Å; K660-W682 HydrophobicContact CB-CZ3 4.17Å; K660-W682 HydrophobicContact CG-CE3 4.18Å; K660-W682 HydrophobicContact CG-CH2 4.3Å; K660-W682 HydrophobicContact CG-CZ3 4.08Å |
| 661 | A | 77.4 | Confident | 75.4 | Confident | 53 Ų | 53 | 55.9 Ų | 55.9 | 44% | 0.438 | 30% | 0.302 | S | S | . | . | trans | -97.1 | 2.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L656 R659 | L656-A661 HydrophobicContact CD2-CB 4.12Å; L656-A661 PolarHBondContact O-N 3.46Å; R659-A661 HydrophobicContact CB-CB 4.24Å; R659-A661 PolarHBondContact O-N 2.9Å | ||
| 662 | I | 73.1 | Confident | 73.8 | Confident | 16 Ų | 16 | 61.9 Ų | 61.9 | 8% | 0.082 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -62.1 | 138.7 | 171.5 | -62.2 | -174.6 | 0 | 0 | 0 | 109.5 | F653 L656 I657 M678 F681 | F653-I662 HydrophobicContact CE1-CD1 4.04Å; F653-I662 HydrophobicContact CE2-CD1 3.96Å; F653-I662 HydrophobicContact CZ-CD1 3.56Å; L656-I662 HydrophobicContact CB-CG1 4.04Å; I657-I662 HydrophobicContact CD1-CD1 4.34Å; I657-I662 HydrophobicContact CG1-CD1 3.43Å; I657-I662 VanDerWaalsContact CG1-CD1 3.43Å; I657-I662 HydrophobicContact CG1-CG1 4.36Å; I662-M678 HydrophobicContact CG2-CE 3.75Å; I662-F681 HydrophobicContact CD1-CD1 3.7Å; I662-F681 HydrophobicContact CD1-CE1 4.36Å; I662-F681 HydrophobicContact CD1-CG 4.46Å |
| 663 | A | 69.4 | Low | 72.9 | Confident | 75 Ų | 75 | 64 Ų | 64 | 62% | 0.62 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 134.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | E665 | A663-E665 PolarHBondContact O-N 2.93Š|
| 664 | P | 73 | Confident | 72.2 | Confident | 73 Ų | 73 | 66.7 Ų | 66.7 | 47% | 0.474 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 136.7 | 173.9 | -21.2 | 31.9 | 0 | 0 | 0 | 111.1 | Y666 | P664-Y666 HydrophobicContact CB-CE2 4.3Š|
| 665 | E | 73.3 | Confident | 71.7 | Confident | 44 Ų | 44 | 67.6 Ų | 67.6 | 21% | 0.206 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -91.5 | 153.9 | 174.3 | -67 | 178.7 | -169.1 | 0 | 0 | 111 | A663 L676 M678 F681 T864 R887 | A663-E665 PolarHBondContact O-N 2.93Å; E665-L676 HydrophobicContact CB-CB 4.27Å; E665-L676 HydrophobicContact CB-CD1 4.16Å; E665-L676 PolarHBondContact O-N 3.07Å; E665-M678 HydrophobicContact CB-SD 3.99Å; E665-M678 HydrophobicContact CG-CE 4.02Å; E665-M678 HydrophobicContact CG-SD 4.05Å; E665-F681 VanDerWaalsContact OE1-CZ 3.25Å; E665-F681 WeakPolarHBondContact OE1-CZ 3.4Å; E665-T864 PolarHBondContact OE1-OG1 3.3Å; E665-R887 IonicContact OE2-CZ 3.03Å; E665-R887 IonicContact OE2-NH1 3.89Å; E665-R887 PolarHBondContact OE2-NH1 3.25Å; E665-R887 IonicContact OE2-NH2 2.61Å; E665-R887 PolarHBondContact OE2-NH2 3.46Å |
| 666 | Y | 73.1 | Confident | 71.6 | Confident | 121 Ų | 121 | 67.4 Ų | 67.4 | 48% | 0.475 | 36% | 0.357 | S | S | . | . | B | Isolated β-bridge | trans | -127.6 | 145.8 | -178.1 | -68.8 | -97.7 | 0 | 0 | 0 | 110.9 | P664 Q674 K675 | P664-Y666 HydrophobicContact CB-CE2 4.3Å; Y666-Q674 CarbonylContact C-O 3.32Å; Y666-Q674 VanDerWaalsContact CA-O 3.28Å; Y666-Q674 WeakPolarHBondContact CA-O 3.31Å; Y666-K675 HydrophobicContact CD1-CG 4.04Å; Y666-K675 HydrophobicContact CE1-CG 3.46Å; Y666-K675 VanDerWaalsContact CE1-CG 3.46Å |
| 667 | S | 70.4 | Confident | 71.8 | Confident | 8 Ų | 8 | 65 Ų | 65 | 6% | 0.056 | 35% | 0.345 | C | S | . | . | trans | -65.8 | 135.4 | 177.5 | 70.2 | 0 | 0 | 0 | 0 | 111.4 | Q674 | S667-Q674 PolarHBondContact N-O 2.85Å; S667-Q674 PolarHBondContact OG-N 3.48Å | ||
| 668 | T | 59.3 | Low | 71.8 | Confident | 62 Ų | 62 | 65.1 Ų | 65.1 | 38% | 0.38 | 35% | 0.345 | S | S | . | . | trans | -90.5 | 165.4 | 171.1 | 39.2 | 0 | 0 | 0 | 0 | 111.5 | E882 R888 | T668-E882 VanDerWaalsContact OG1-CD 3.3Å; T668-E882 PolarHBondContact OG1-OE1 2.98Å; T668-R888 PolarHBondContact O-NH2 3.17Å | ||
| 669 | G | 55.2 | Low | 71.8 | Confident | 65 Ų | 65 | 62.6 Ų | 62.6 | 67% | 0.67 | 33% | 0.334 | S | S | * | . | S | Bend | trans | 115 | -170.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | I671 | G669-I671 VanDerWaalsContact C-N 3.3Å; G669-I671 PolarHBondContact O-N 2.84Å |
| 670 | R | 49.2 | Very low | 72 | Confident | 161 Ų | 161 | 54 Ų | 54 | 61% | 0.608 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -73.3 | -17.8 | -179.3 | -64.9 | -174.1 | 177.5 | -173.7 | -6.8 | 113.6 | E244 Y948 | E244-R670 IonicContact OE2-CZ 3.01Å; E244-R670 IonicContact OE2-NH1 2.97Å; E244-R670 IonicContact OE2-NH2 3.86Å; E244-R670 PolarHBondContact OE2-NH2 3.41Å; R670-Y948 WeakPolarHBondContact CB-OH 3.38Å; R670-Y948 WeakPolarHBondContact CD-OH 3.27Å |
| 671 | I | 53.4 | Low | 72.3 | Confident | 56 Ų | 56 | 52.7 Ų | 52.7 | 29% | 0.287 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -78.4 | 142.9 | 172.8 | -59.2 | 166.7 | 0 | 0 | 0 | 108.9 | G669 Q952 T956 | G669-I671 VanDerWaalsContact C-N 3.3Å; G669-I671 PolarHBondContact O-N 2.84Å; I671-Q952 VanDerWaalsContact CG1-OE1 3.31Å; I671-T956 HydrophobicContact CD1-CG2 4.47Å |
| 672 | K | 58.8 | Low | 72.7 | Confident | 131 Ų | 131 | 50.8 Ų | 50.8 | 57% | 0.57 | 28% | 0.278 | S | S | * | . | trans | -44.7 | 133.5 | 174 | -168.8 | 172.1 | -174 | 167.1 | 0 | 111.4 | Q674 | K672-Q674 PolarHBondContact O-N 3.09Š| ||
| 673 | P | 66.8 | Low | 73.4 | Confident | 92 Ų | 92 | 52 Ų | 52 | 60% | 0.597 | 29% | 0.285 | S | S | * | . | trans | -56.1 | 122.6 | 179.4 | -23.2 | 31.5 | 0 | 0 | 0 | 111.1 | ||||
| 674 | Q | 72.5 | Confident | 74.4 | Confident | 61 Ų | 61 | 48.5 Ų | 48.5 | 29% | 0.285 | 26% | 0.256 | S | S | . | . | trans | -115.6 | 144.5 | 177 | -175.7 | -175.9 | -1.1 | 0 | 0 | 108.8 | Y666 S667 K672 L676 R888 | Y666-Q674 CarbonylContact C-O 3.32Å; Y666-Q674 VanDerWaalsContact CA-O 3.28Å; Y666-Q674 WeakPolarHBondContact CA-O 3.31Å; S667-Q674 PolarHBondContact N-O 2.85Å; S667-Q674 PolarHBondContact OG-N 3.48Å; K672-Q674 PolarHBondContact O-N 3.09Å; Q674-L676 PolarHBondContact O-N 3.03Å; Q674-R888 PolarHBondContact NE2-O 3.21Å | ||
| 675 | K | 78.9 | Confident | 75.3 | Confident | 36 Ų | 36 | 45.5 Ų | 45.5 | 16% | 0.157 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -58.3 | 140 | 172 | -72.1 | -177.6 | -173.2 | 167.5 | 0 | 111 | D449 N450 V540 L541 Y666 | D449-K675 VanDerWaalsContact CG-NZ 3.31Å; D449-K675 WeakPolarHBondContact OD1-CD 3.19Å; D449-K675 WeakPolarHBondContact OD1-CE 3.17Å; D449-K675 IonicContact OD1-NZ 3.06Å; D449-K675 PolarHBondContact OD1-NZ 2.85Å; D449-K675 VanDerWaalsContact OD2-CD 3.29Å; D449-K675 WeakPolarHBondContact OD2-CD 3.28Å; D449-K675 WeakPolarHBondContact OD2-CE 3.45Å; D449-K675 IonicContact OD2-NZ 3.42Å; D449-K675 PolarHBondContact OD2-NZ 2.96Å; N450-K675 PolarHBondContact ND2-NZ 3.22Å; V540-K675 HydrophobicContact CG1-CD 4.31Å; L541-K675 HydrophobicContact CD2-CB 4.24Å; L541-K675 VanDerWaalsContact CD2-O 3.3Å; L541-K675 WeakPolarHBondContact CD2-O 3.23Å; Y666-K675 HydrophobicContact CD1-CG 4.04Å; Y666-K675 HydrophobicContact CE1-CG 3.46Å; Y666-K675 VanDerWaalsContact CE1-CG 3.46Å |
| 676 | L | 83.7 | Confident | 76.2 | Confident | 25 Ų | 25 | 44.4 Ų | 44.4 | 13% | 0.131 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -97.5 | 147.7 | 173.4 | -61.1 | -179.5 | 0 | 0 | 0 | 110 | E665 Q674 M678 R887 R888 | E665-L676 HydrophobicContact CB-CB 4.27Å; E665-L676 HydrophobicContact CB-CD1 4.16Å; E665-L676 PolarHBondContact O-N 3.07Å; Q674-L676 PolarHBondContact O-N 3.03Å; L676-M678 PolarHBondContact O-N 2.93Å; L676-R887 CarbonylContact C-O 3.53Å; L676-R887 WeakPolarHBondContact CA-O 3.09Å; L676-R887 HydrophobicContact CB-CB 4.08Å; L676-R887 HydrophobicContact CD2-CB 4.09Å; L676-R888 HydrophobicContact CD2-CG 3.89Å |
| 677 | S | 88.3 | Confident | 77.1 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.014 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -62.3 | 131.1 | 171.9 | -170.8 | 0 | 0 | 0 | 0 | 109.7 | E537 L541 G679 R887 F889 K891 | E537-S677 PolarHBondContact OE2-OG 3.05Å; L541-S677 VanDerWaalsContact CD1-CA 3.42Å; S677-G679 VanDerWaalsContact C-N 3.35Å; S677-G679 PolarHBondContact OG-N 3.28Å; S677-R887 PolarHBondContact N-O 3.15Å; S677-R887 PolarHBondContact O-NE 3.33Å; S677-R887 PolarHBondContact O-NH2 2.96Å; S677-R887 VanDerWaalsContact O-NH2 3.12Å; S677-F889 WeakPolarHBondContact CB-O 2.87Å; S677-K891 PolarHBondContact OG-N 3.39Å |
| 678 | M | 85.1 | Confident | 78.3 | Confident | 5 Ų | 5 | 38.8 Ų | 38.8 | 3% | 0.025 | 21% | 0.208 | C | C | . | . | trans | -98.5 | 6.7 | 172.4 | -51.2 | -59.1 | -69.3 | 0 | 0 | 110.9 | E537 I662 E665 L676 Q680 F681 W682 R887 | E537-M678 VanDerWaalsContact OE1-CB 3.26Å; E537-M678 WeakPolarHBondContact OE1-CB 3.48Å; E537-M678 PolarHBondContact OE2-N 2.89Å; I662-M678 HydrophobicContact CG2-CE 3.75Å; E665-M678 HydrophobicContact CB-SD 3.99Å; E665-M678 HydrophobicContact CG-CE 4.02Å; E665-M678 HydrophobicContact CG-SD 4.05Å; L676-M678 PolarHBondContact O-N 2.93Å; M678-Q680 PolarHBondContact O-N 3.44Å; M678-Q680 VanDerWaalsContact O-N 3.07Å; M678-F681 HydrophobicContact CB-CD2 4.21Å; M678-F681 HydrophobicContact CE-CD1 4.38Å; M678-F681 HydrophobicContact CE-CD2 3.66Å; M678-F681 HydrophobicContact CE-CE1 4.19Å; M678-F681 HydrophobicContact CE-CE2 3.46Å; M678-F681 VanDerWaalsContact CE-CE2 3.46Å; M678-F681 HydrophobicContact CE-CG 4.13Å; M678-F681 HydrophobicContact CE-CZ 3.76Å; M678-F681 WeakPolarHBondContact O-CB 3.28Å; M678-F681 PolarHBondContact O-N 3.27Å; M678-F681 HydrophobicContact SD-CD2 4.37Å; M678-F681 HydrophobicContact SD-CE2 4.14Å; M678-W682 HydrophobicContact CB-CH2 4.1Å; M678-W682 HydrophobicContact CB-CZ2 3.42Å; M678-W682 VanDerWaalsContact CB-CZ2 3.42Å; M678-W682 HydrophobicContact CG-CZ2 4.38Å; M678-W682 PolarHBondContact O-NE1 3.44Å; M678-R887 PolarHBondContact SD-NH2 3.2Å; M678-R887 VanDerWaalsContact SD-NH2 3.39Å | ||
| 679 | G | 84.5 | Confident | 80 | Confident | 10 Ų | 10 | 35.9 Ų | 35.9 | 10% | 0.103 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -51.5 | -34.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S677 F681 | S677-G679 VanDerWaalsContact C-N 3.35Å; S677-G679 PolarHBondContact OG-N 3.28Å; G679-F681 PolarHBondContact O-N 3.33Å |
| 680 | Q | 86.9 | Confident | 81.9 | Confident | 10 Ų | 10 | 34.8 Ų | 34.8 | 5% | 0.047 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -66.4 | -23.4 | 177.6 | -59 | -170.9 | 33.3 | 0 | 0 | 113.5 | M678 I684 D858 P861 G892 | M678-Q680 PolarHBondContact O-N 3.44Å; M678-Q680 VanDerWaalsContact O-N 3.07Å; Q680-I684 WeakPolarHBondContact O-CG2 3.26Å; Q680-D858 PolarHBondContact NE2-OD2 3.48Å; Q680-D858 PolarHBondContact OE1-OD2 3.07Å; Q680-P861 HydrophobicContact CB-CG 3.78Å; Q680-G892 PolarHBondContact NE2-O 2.94Å; Q680-G892 VanDerWaalsContact NE2-O 3.16Å |
| 681 | F | 86.2 | Confident | 84.1 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -77.3 | -29.9 | -176.2 | -73.1 | -104.1 | 0 | 0 | 0 | 112.7 | F653 I657 I662 E665 M678 G679 D683 P861 T864 | F653-F681 HydrophobicContact CZ-CD1 4.45Å; F653-F681 HydrophobicContact CZ-CE1 4.47Å; I657-F681 WeakPolarHBondContact CG2-O 3.33Å; I662-F681 HydrophobicContact CD1-CD1 3.7Å; I662-F681 HydrophobicContact CD1-CE1 4.36Å; I662-F681 HydrophobicContact CD1-CG 4.46Å; E665-F681 VanDerWaalsContact OE1-CZ 3.25Å; E665-F681 WeakPolarHBondContact OE1-CZ 3.4Å; M678-F681 HydrophobicContact CB-CD2 4.21Å; M678-F681 HydrophobicContact CE-CD1 4.38Å; M678-F681 HydrophobicContact CE-CD2 3.66Å; M678-F681 HydrophobicContact CE-CE1 4.19Å; M678-F681 HydrophobicContact CE-CE2 3.46Å; M678-F681 VanDerWaalsContact CE-CE2 3.46Å; M678-F681 HydrophobicContact CE-CG 4.13Å; M678-F681 HydrophobicContact CE-CZ 3.76Å; M678-F681 WeakPolarHBondContact O-CB 3.28Å; M678-F681 PolarHBondContact O-N 3.27Å; M678-F681 HydrophobicContact SD-CD2 4.37Å; M678-F681 HydrophobicContact SD-CE2 4.14Å; G679-F681 PolarHBondContact O-N 3.33Å; F681-D683 VanDerWaalsContact C-N 3.3Å; F681-D683 PolarHBondContact O-N 2.8Å; F681-P861 HydrophobicContact CD1-CB 4.05Å; F681-P861 HydrophobicContact CD1-CG 4.4Å; F681-P861 HydrophobicContact CD2-CB 4.45Å; F681-P861 HydrophobicContact CD2-CG 3.93Å; F681-P861 HydrophobicContact CE1-CB 4.03Å; F681-P861 HydrophobicContact CE1-CG 4.34Å; F681-P861 HydrophobicContact CE2-CB 4.41Å; F681-P861 HydrophobicContact CE2-CG 3.83Å; F681-P861 HydrophobicContact CG-CB 4.26Å; F681-P861 HydrophobicContact CG-CG 4.21Å; F681-P861 HydrophobicContact CZ-CB 4.2Å; F681-P861 HydrophobicContact CZ-CG 4.04Å; F681-T864 HydrophobicContact CE1-CG2 3.96Å |
| 682 | W | 86.6 | Confident | 86.1 | Confident | 13 Ų | 13 | 27.7 Ų | 27.7 | 5% | 0.049 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -24.3 | -163.5 | -51.2 | 136.6 | 0 | 0 | 0 | 114.3 | I657 K660 M678 K703 | I657-W682 HydrophobicContact CG2-CE3 3.88Å; I657-W682 HydrophobicContact CG2-CZ3 4.48Å; K660-W682 HydrophobicContact CB-CH2 4.13Å; K660-W682 HydrophobicContact CB-CZ3 4.17Å; K660-W682 HydrophobicContact CG-CE3 4.18Å; K660-W682 HydrophobicContact CG-CH2 4.3Å; K660-W682 HydrophobicContact CG-CZ3 4.08Å; M678-W682 HydrophobicContact CB-CH2 4.1Å; M678-W682 HydrophobicContact CB-CZ2 3.42Å; M678-W682 VanDerWaalsContact CB-CZ2 3.42Å; M678-W682 HydrophobicContact CG-CZ2 4.38Å; M678-W682 PolarHBondContact O-NE1 3.44Å; W682-K703 PolarHBondContact O-NZ 3.34Å |
| 683 | D | 86.5 | Confident | 87.7 | Confident | 43 Ų | 43 | 27.8 Ų | 27.8 | 23% | 0.23 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | -0.5 | -171.9 | -58.9 | -42.9 | 0 | 0 | 0 | 114.1 | F681 F685 T686 A687 I700 V856 | F681-D683 VanDerWaalsContact C-N 3.3Å; F681-D683 PolarHBondContact O-N 2.8Å; D683-F685 PolarHBondContact O-N 3.43Å; D683-T686 WeakPolarHBondContact CA-OG1 2.86Å; D683-T686 PolarHBondContact O-N 2.68Å; D683-T686 VanDerWaalsContact O-N 3.11Å; D683-T686 PolarHBondContact O-OG1 3.48Å; D683-T686 VanDerWaalsContact O-OG1 3.14Å; D683-A687 VanDerWaalsContact O-CB 3.3Å; D683-A687 WeakPolarHBondContact O-CB 3.26Å; D683-A687 PolarHBondContact O-N 3.11Å; D683-I700 HydrophobicContact CB-CD1 4.27Å; D683-I700 HydrophobicContact CB-CG2 4.23Å; D683-V856 HydrophobicContact CB-CG1 4.31Å |
| 684 | I | 90.6 | Very high | 88.7 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -21.7 | -170.2 | 67.4 | -177.1 | 0 | 0 | 0 | 115 | F653 I657 Q680 T837 F838 V856 A857 P861 | F653-I684 HydrophobicContact CE1-CD1 4.38Å; I657-I684 HydrophobicContact CD1-CD1 3.49Å; I657-I684 VanDerWaalsContact CD1-CD1 3.49Å; I657-I684 HydrophobicContact CD1-CG1 3.79Å; Q680-I684 WeakPolarHBondContact O-CG2 3.26Å; I684-T837 WeakPolarHBondContact O-CB 3.44Å; I684-T837 VanDerWaalsContact O-CG2 3.31Å; I684-T837 WeakPolarHBondContact O-CG2 3.31Å; I684-F838 HydrophobicContact CB-CE2 3.68Å; I684-F838 HydrophobicContact CB-CZ 4.11Å; I684-F838 HydrophobicContact CD1-CE2 3.79Å; I684-F838 HydrophobicContact CD1-CZ 4.09Å; I684-F838 HydrophobicContact CG1-CE2 3.78Å; I684-F838 HydrophobicContact CG1-CZ 4.41Å; I684-V856 HydrophobicContact CG2-CG1 4.44Å; I684-A857 HydrophobicContact CG2-CB 3.88Å; I684-P861 HydrophobicContact CD1-CB 4.25Å; I684-P861 HydrophobicContact CG2-CB 4.08Å |
| 685 | F | 92.9 | Very high | 89.8 | Confident | 10 Ų | 10 | 26.8 Ų | 26.8 | 4% | 0.044 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -15.8 | 177.6 | -68.4 | -61.8 | 0 | 0 | 0 | 113.6 | V650 F653 K654 I657 D683 T794 F795 F838 L865 | V650-F685 HydrophobicContact CG1-CE1 3.64Å; V650-F685 HydrophobicContact CG1-CZ 3.68Å; F653-F685 HydrophobicContact CD1-CE2 4.16Å; F653-F685 HydrophobicContact CD1-CZ 4.44Å; K654-F685 HydrophobicContact CB-CD2 3.71Å; K654-F685 HydrophobicContact CB-CE2 3.68Å; K654-F685 HydrophobicContact CB-CG 4.45Å; K654-F685 HydrophobicContact CB-CZ 4.42Å; K654-F685 HydrophobicContact CD-CB 4.08Å; K654-F685 HydrophobicContact CD-CD2 4.08Å; K654-F685 HydrophobicContact CD-CG 4.12Å; K654-F685 HydrophobicContact CG-CD2 3.78Å; K654-F685 HydrophobicContact CG-CE2 4.28Å; K654-F685 HydrophobicContact CG-CG 4.33Å; I657-F685 HydrophobicContact CD1-CD2 3.76Å; I657-F685 HydrophobicContact CD1-CE2 3.52Å; D683-F685 PolarHBondContact O-N 3.43Å; F685-T794 HydrophobicContact CB-CG2 3.91Å; F685-T794 HydrophobicContact CD1-CG2 3.89Å; F685-T794 HydrophobicContact CG-CG2 4.04Å; F685-F795 HydrophobicContact CD1-CD1 4.32Å; F685-F795 HydrophobicContact CE1-CD1 4.15Å; F685-F838 HydrophobicContact CD1-CD2 4.01Å; F685-F838 HydrophobicContact CD1-CE2 4.39Å; F685-F838 AromaticContact CE1-CD2 3.72Å; F685-F838 HydrophobicContact CE1-CD2 3.72Å; F685-F838 HydrophobicContact CE1-CE2 4.05Å; F685-F838 HydrophobicContact CZ-CD2 4.48Å; F685-F838 HydrophobicContact CZ-CE2 4.41Å; F685-L865 HydrophobicContact CE1-CD2 4.27Å; F685-L865 HydrophobicContact CZ-CD1 4.19Å; F685-L865 HydrophobicContact CZ-CD2 3.82Å |
| 686 | T | 90.9 | Very high | 90.6 | Very high | 21 Ų | 21 | 25.2 Ų | 25.2 | 13% | 0.129 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -13.8 | -179.5 | 50.9 | 0 | 0 | 0 | 0 | 112.5 | D683 Q701 | D683-T686 WeakPolarHBondContact CA-OG1 2.86Å; D683-T686 PolarHBondContact O-N 2.68Å; D683-T686 VanDerWaalsContact O-N 3.11Å; D683-T686 PolarHBondContact O-OG1 3.48Å; D683-T686 VanDerWaalsContact O-OG1 3.14Å; T686-Q701 WeakPolarHBondContact O-CB 3.34Å; T686-Q701 PolarHBondContact O-N 3.09Å |
| 687 | A | 92.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 154.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | D683 L698 E699 K836 T837 V856 | D683-A687 VanDerWaalsContact O-CB 3.3Å; D683-A687 WeakPolarHBondContact O-CB 3.26Å; D683-A687 PolarHBondContact O-N 3.11Å; A687-L698 HydrophobicContact CB-CD1 4.29Å; A687-E699 CarbonylContact C-O 3.5Å; A687-E699 VanDerWaalsContact CA-O 3.26Å; A687-E699 WeakPolarHBondContact CA-O 3.35Å; A687-K836 PolarHBondContact O-NZ 2.98Å; A687-T837 PolarHBondContact O-OG1 2.85Å; A687-V856 HydrophobicContact CB-CB 4.2Å; A687-V856 HydrophobicContact CB-CG1 3.93Å; A687-V856 HydrophobicContact CB-CG2 3.23Å |
| 688 | Y | 95.3 | Very high | 91.4 | Very high | 11 Ų | 11 | 29.3 Ų | 29.3 | 4% | 0.043 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 132.7 | 175.1 | -175 | -88.9 | 0 | 0 | 0 | 110.3 | Q690 E699 K791 W833 E835 K836 | Y688-Q690 HydrophobicContact CD1-CB 4.04Å; Y688-Q690 HydrophobicContact CE1-CB 3.95Å; Y688-E699 PolarHBondContact N-O 3.32Å; Y688-E699 PolarHBondContact O-N 2.78Å; Y688-K791 HydrophobicContact CD1-CD 4.3Å; Y688-K791 HydrophobicContact CD1-CG 3.86Å; Y688-K791 HydrophobicContact CD2-CB 4.2Å; Y688-K791 HydrophobicContact CD2-CG 3.96Å; Y688-K791 HydrophobicContact CE1-CG 4.22Å; Y688-K791 HydrophobicContact CE2-CB 4.17Å; Y688-K791 HydrophobicContact CE2-CG 4.29Å; Y688-K791 HydrophobicContact CG-CB 4.45Å; Y688-K791 HydrophobicContact CG-CG 3.73Å; Y688-W833 AromaticContact CE2-NE1 3.52Å; Y688-W833 AromaticContact CZ-NE1 3.67Å; Y688-W833 PolarHBondContact OH-NE1 2.99Å; Y688-E835 HydrophobicContact CE1-CB 4.17Å; Y688-E835 HydrophobicContact CE2-CB 3.98Å; Y688-E835 WeakPolarHBondContact OH-CB 3.08Å; Y688-E835 PolarHBondContact OH-OE2 2.87Å; Y688-K836 HydrophobicContact CD2-CD 3.98Å |
| 689 | R | 96 | Very high | 91.8 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 0% | 0.004 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 102.4 | 176.4 | -179.7 | 177.6 | 174 | 168.9 | -0 | 110.8 | Y611 L612 L618 S622 D696 E835 E853 T855 | Y611-R689 PolarHBondContact O-NH2 3.38Å; L612-R689 HydrophobicContact CD2-CG 4.46Å; L618-R689 VanDerWaalsContact CD2-CZ 3.47Å; S622-R689 PolarHBondContact OG-NH1 3.25Å; R689-D696 HydrophobicContact CG-CB 4.23Å; R689-D696 IonicContact CZ-OD2 2.87Å; R689-D696 IonicContact NE-OD2 3.43Å; R689-D696 PolarHBondContact NE-OD2 3.45Å; R689-D696 IonicContact NH2-OD2 3.14Å; R689-D696 PolarHBondContact NH2-OD2 2.95Å; R689-E835 PolarHBondContact N-O 3.23Å; R689-E835 VanDerWaalsContact N-O 3.12Å; R689-E835 VanDerWaalsContact O-CB 3.24Å; R689-E835 WeakPolarHBondContact O-CB 3.34Å; R689-E835 VanDerWaalsContact O-CD 3.3Å; R689-E835 VanDerWaalsContact O-CG 3.27Å; R689-E835 WeakPolarHBondContact O-CG 3.43Å; R689-E853 HydrophobicContact CB-CG 4.13Å; R689-E853 VanDerWaalsContact CD-CD 3.41Å; R689-E853 WeakPolarHBondContact CD-OE1 3.17Å; R689-E853 IonicContact CZ-OE1 3.35Å; R689-E853 IonicContact NE-OE1 3.54Å; R689-E853 IonicContact NH1-OE1 3.85Å; R689-E853 PolarHBondContact NH1-OE1 3.18Å; R689-T855 WeakPolarHBondContact CD-OG1 3.32Å; R689-T855 PolarHBondContact NH1-OG1 3Å |
| 690 | Q | 94.8 | Very high | 92.1 | Very high | 41 Ų | 41 | 35.7 Ų | 35.7 | 19% | 0.192 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 128.7 | 180 | -176.9 | 168.5 | -46.6 | 0 | 0 | 111.4 | Y688 N692 D696 I697 E699 | Y688-Q690 HydrophobicContact CD1-CB 4.04Å; Y688-Q690 HydrophobicContact CE1-CB 3.95Å; Q690-N692 PolarHBondContact O-N 3.26Å; Q690-D696 WeakPolarHBondContact O-CA 3.36Å; Q690-D696 WeakPolarHBondContact O-CB 3.44Å; Q690-I697 PolarHBondContact N-O 2.69Å; Q690-I697 PolarHBondContact O-N 2.94Å; Q690-E699 PolarHBondContact OE1-OE1 3.14Å; Q690-E699 VanDerWaalsContact OE1-OE1 3.06Å |
| 691 | A | 95.7 | Very high | 92 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 3% | 0.033 | 19% | 0.192 | C | C | . | . | trans | -61.9 | 129 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | D696 A770 A771 Y774 E835 | A691-D696 WeakPolarHBondContact CA-OD1 3.1Å; A691-A770 HydrophobicContact CB-CB 3.69Å; A691-A771 HydrophobicContact CB-CB 4.3Å; A691-Y774 HydrophobicContact CB-CD2 3.97Å; A691-Y774 HydrophobicContact CB-CE2 3.83Å; A691-E835 WeakPolarHBondContact CB-OE1 3.5Å | ||
| 692 | N | 94.9 | Very high | 91.3 | Very high | 65 Ų | 65 | 46.7 Ų | 46.7 | 35% | 0.348 | 23% | 0.231 | S | C | . | . | trans | -145 | 154.4 | 174.4 | 176.2 | 50 | 0 | 0 | 0 | 109.9 | R615 Q690 C694 M695 D696 I697 | R615-N692 PolarHBondContact NH2-O 2.86Å; Q690-N692 PolarHBondContact O-N 3.26Å; N692-C694 PolarHBondContact O-N 3.19Å; N692-M695 CarbonylContact C-O 3.47Å; N692-M695 WeakPolarHBondContact CB-O 3.35Å; N692-M695 PolarHBondContact ND2-O 3.42Å; N692-M695 VanDerWaalsContact ND2-O 3.12Å; N692-M695 CarbonylContact O-C 3.48Å; N692-M695 PolarHBondContact O-N 2.95Å; N692-D696 PolarHBondContact N-OD1 3.01Å; N692-I697 HydrophobicContact CB-CD1 3.95Å; N692-I697 HydrophobicContact CB-CG1 3.95Å | ||
| 693 | Y | 91.8 | Very high | 90.4 | Very high | 133 Ų | 133 | 51.2 Ų | 51.2 | 52% | 0.522 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -64 | 134.6 | -171.6 | -166.4 | -101.9 | 0 | 0 | 0 | 111.6 | M695 D768 | Y693-M695 PolarHBondContact O-N 3.25Å; Y693-D768 HydrophobicContact CD2-CB 4.29Å; Y693-D768 HydrophobicContact CE2-CB 4.39Å |
| 694 | C | 88.9 | Confident | 89.2 | Confident | 79 Ų | 79 | 53.7 Ų | 53.7 | 53% | 0.534 | 27% | 0.268 | S | S | . | . | S | Bend | trans | 62.2 | -28.2 | -174.3 | -62.7 | 0 | 0 | 0 | 0 | 116.2 | R615 N692 D768 | R615-C694 WeakPolarHBondContact CD-O 3.36Å; N692-C694 PolarHBondContact O-N 3.19Å; C694-D768 PolarHBondContact N-OD1 3.08Å |
| 695 | M | 93.9 | Very high | 87.4 | Confident | 52 Ų | 52 | 59.8 Ų | 59.8 | 26% | 0.256 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -155.8 | 126.9 | -177.9 | -173.1 | 167.8 | -73.7 | 0 | 0 | 110 | R608 L612 N692 Y693 | R608-M695 HydrophobicContact CG-CE 3.57Å; R608-M695 HydrophobicContact CG-SD 3.76Å; L612-M695 HydrophobicContact CB-CG 4.03Å; L612-M695 WeakPolarHBondContact O-CA 3.33Å; N692-M695 CarbonylContact C-O 3.47Å; N692-M695 WeakPolarHBondContact CB-O 3.35Å; N692-M695 PolarHBondContact ND2-O 3.42Å; N692-M695 VanDerWaalsContact ND2-O 3.12Å; N692-M695 CarbonylContact O-C 3.48Å; N692-M695 PolarHBondContact O-N 2.95Å; Y693-M695 PolarHBondContact O-N 3.25Å |
| 696 | D | 96.6 | Very high | 85.7 | Confident | 3 Ų | 3 | 66.9 Ų | 66.9 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | trans | -67.9 | 159.7 | 174.9 | -74.8 | 6.8 | 0 | 0 | 0 | 110.9 | L612 R615 R689 Q690 A691 N692 R767 | L612-D696 HydrophobicContact CB-CB 4.46Å; L612-D696 HydrophobicContact CD2-CB 3.91Å; L612-D696 PolarHBondContact O-N 3.28Å; R615-D696 IonicContact CZ-OD1 2.8Å; R615-D696 IonicContact NH1-OD1 2.82Å; R615-D696 PolarHBondContact NH1-OD1 3.42Å; R615-D696 IonicContact NH2-OD1 2.9Å; R615-D696 PolarHBondContact NH2-OD1 3.33Å; R689-D696 HydrophobicContact CG-CB 4.23Å; R689-D696 IonicContact CZ-OD2 2.87Å; R689-D696 IonicContact NE-OD2 3.43Å; R689-D696 PolarHBondContact NE-OD2 3.45Å; R689-D696 IonicContact NH2-OD2 3.14Å; R689-D696 PolarHBondContact NH2-OD2 2.95Å; Q690-D696 WeakPolarHBondContact O-CA 3.36Å; Q690-D696 WeakPolarHBondContact O-CB 3.44Å; A691-D696 WeakPolarHBondContact CA-OD1 3.1Å; N692-D696 PolarHBondContact N-OD1 3.01Å; D696-R767 IonicContact OD1-NE 2.81Å; D696-R767 IonicContact OD2-CZ 2.79Å; D696-R767 IonicContact OD2-NE 2.79Å; D696-R767 PolarHBondContact OD2-NE 2.86Å; D696-R767 IonicContact OD2-NH2 3.18Å; D696-R767 PolarHBondContact OD2-NH2 2.61Å | ||
| 697 | I | 95.2 | Very high | 84.2 | Confident | 69 Ų | 69 | 70.5 Ų | 70.5 | 35% | 0.354 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 126 | 177.4 | -60.2 | 170.5 | 0 | 0 | 0 | 108 | Q690 N692 E699 | Q690-I697 PolarHBondContact N-O 2.69Å; Q690-I697 PolarHBondContact O-N 2.94Å; N692-I697 HydrophobicContact CB-CD1 3.95Å; N692-I697 HydrophobicContact CB-CG1 3.95Å; I697-E699 HydrophobicContact CG2-CG 3.85Å |
| 698 | L | 94.6 | Very high | 83.2 | Confident | 44 Ų | 44 | 72.9 Ų | 72.9 | 23% | 0.23 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 112.4 | 165.9 | -179.3 | 64.6 | 0 | 0 | 0 | 108.7 | L612 A687 I700 T855 V856 | L612-L698 HydrophobicContact CD1-CB 4.25Å; L612-L698 HydrophobicContact CD2-CB 4.19Å; A687-L698 HydrophobicContact CB-CD1 4.29Å; L698-I700 HydrophobicContact CG-CG1 4.49Å; L698-T855 HydrophobicContact CB-CG2 4.48Å; L698-T855 HydrophobicContact CD1-CG2 4.25Å; L698-T855 HydrophobicContact CD2-CG2 4.15Å; L698-V856 HydrophobicContact CD1-CG2 3.58Å; L698-V856 HydrophobicContact CD2-CG2 4.41Å |
| 699 | E | 93.1 | Very high | 82.9 | Confident | 69 Ų | 69 | 77 Ų | 77 | 32% | 0.322 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 134.2 | 173.1 | -68.4 | -167.2 | -151.3 | 0 | 0 | 110.6 | A687 Y688 Q690 I697 K791 | A687-E699 CarbonylContact C-O 3.5Å; A687-E699 VanDerWaalsContact CA-O 3.26Å; A687-E699 WeakPolarHBondContact CA-O 3.35Å; Y688-E699 PolarHBondContact N-O 3.32Å; Y688-E699 PolarHBondContact O-N 2.78Å; Q690-E699 PolarHBondContact OE1-OE1 3.14Å; Q690-E699 VanDerWaalsContact OE1-OE1 3.06Å; I697-E699 HydrophobicContact CG2-CG 3.85Å; E699-K791 IonicContact OE1-NZ 3.71Å; E699-K791 PolarHBondContact OE1-NZ 3.22Å; E699-K791 WeakPolarHBondContact OE2-CE 3.28Å; E699-K791 IonicContact OE2-NZ 3.84Å; E699-K791 PolarHBondContact OE2-NZ 3.37Å |
| 700 | I | 89.5 | Confident | 82.7 | Confident | 80 Ų | 80 | 79.4 Ų | 79.4 | 41% | 0.41 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 118.2 | 173.3 | -57.9 | -179.9 | 0 | 0 | 0 | 106.9 | D683 L698 E702 | D683-I700 HydrophobicContact CB-CD1 4.27Å; D683-I700 HydrophobicContact CB-CG2 4.23Å; L698-I700 HydrophobicContact CG-CG1 4.49Å; I700-E702 PolarHBondContact O-N 3.28Å |
| 701 | Q | 84.9 | Confident | 82.8 | Confident | 65 Ų | 65 | 79.1 Ų | 79.1 | 30% | 0.304 | 41% | 0.407 | S | S | . | . | trans | -70.4 | 127.6 | 178.9 | -167.4 | 173.3 | -22.3 | 0 | 0 | 110.6 | T686 | T686-Q701 WeakPolarHBondContact O-CB 3.34Å; T686-Q701 PolarHBondContact O-N 3.09Å | ||
| 702 | E | 72.3 | Confident | 82.9 | Confident | 176 Ų | 176 | 78.9 Ų | 78.9 | 82% | 0.822 | 41% | 0.405 | S | S | * | . | trans | -63.5 | 138 | 175.6 | -74.5 | -175 | 168.5 | 0 | 0 | 111.3 | I700 T704 | I700-E702 PolarHBondContact O-N 3.28Å; E702-T704 PolarHBondContact O-N 2.96Å | ||
| 703 | K | 67.6 | Low | 83 | Confident | 109 Ų | 109 | 75.9 Ų | 75.9 | 47% | 0.474 | 39% | 0.389 | S | S | . | . | trans | -77.7 | 109.8 | 176.1 | -64.4 | -168.4 | -174.3 | -164.6 | 0 | 108.7 | D658 W682 | D658-K703 IonicContact OD1-NZ 3.93Å; D658-K703 PolarHBondContact OD1-NZ 3.44Å; W682-K703 PolarHBondContact O-NZ 3.34Å | ||
| 704 | T | 60.9 | Low | 83.3 | Confident | 95 Ų | 95 | 69.5 Ų | 69.5 | 58% | 0.583 | 36% | 0.364 | S | S | * | . | trans | -71.2 | 144.7 | 173.5 | 54.3 | 0 | 0 | 0 | 0 | 110.5 | E702 E706 | E702-T704 PolarHBondContact O-N 2.96Å; T704-E706 VanDerWaalsContact C-N 3.27Å; T704-E706 PolarHBondContact O-N 2.86Å | ||
| 705 | M | 53.3 | Low | 83.6 | Confident | 128 Ų | 128 | 65.8 Ų | 65.8 | 63% | 0.631 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -63 | -30.9 | 177.5 | -74.5 | -151.5 | 94.3 | 0 | 0 | 113.8 | Y526 D527 | Y526-M705 HydrophobicContact CD1-CE 3.74Å; Y526-M705 HydrophobicContact CD1-CG 3.74Å; Y526-M705 HydrophobicContact CD1-SD 3.03Å; Y526-M705 WeakPolarHBondContact CD1-SD 3.29Å; Y526-M705 HydrophobicContact CE1-CE 4.44Å; Y526-M705 HydrophobicContact CE1-CG 3.84Å; Y526-M705 HydrophobicContact CE1-SD 3.18Å; Y526-M705 WeakPolarHBondContact CE1-SD 3.48Å; Y526-M705 HydrophobicContact CG-CG 4.32Å; Y526-M705 HydrophobicContact CG-SD 4.08Å; D527-M705 HydrophobicContact CB-CE 4.42Å |
| 706 | E | 56.7 | Low | 83.6 | Confident | 159 Ų | 159 | 63.4 Ų | 63.4 | 74% | 0.743 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -79.7 | 142.8 | 179.6 | -65.3 | -157.2 | 159.1 | 0 | 0 | 111.5 | T704 A708 | T704-E706 VanDerWaalsContact C-N 3.27Å; T704-E706 PolarHBondContact O-N 2.86Å; E706-A708 PolarHBondContact O-N 2.83Å |
| 707 | P | 59.4 | Low | 83.3 | Confident | 98 Ų | 98 | 66.3 Ų | 66.3 | 64% | 0.636 | 34% | 0.34 | S | S | * | . | trans | -64.1 | 88.2 | 172.5 | 25.9 | -31.3 | 0 | 0 | 0 | 109.4 | ||||
| 708 | A | 72.7 | Confident | 83.1 | Confident | 49 Ų | 49 | 64.2 Ų | 64.2 | 41% | 0.405 | 33% | 0.329 | S | S | . | . | trans | -71.4 | 147.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | E706 | E706-A708 PolarHBondContact O-N 2.83Š| ||
| 709 | D | 88.1 | Confident | 82.9 | Confident | 99 Ų | 99 | 63 Ų | 63 | 53% | 0.529 | 32% | 0.323 | S | S | . | . | trans | -63 | 136.6 | 167.8 | -68.7 | -17.2 | 0 | 0 | 0 | 109.1 | V726 L727 K728 | D709-V726 WeakPolarHBondContact CA-O 3.41Å; D709-L727 HydrophobicContact CB-CD2 4.24Å; D709-L727 VanDerWaalsContact OD1-CA 3.3Å; D709-L727 WeakPolarHBondContact OD1-CA 3.26Å; D709-K728 PolarHBondContact OD1-N 3.02Å | ||
| 710 | E | 92.9 | Very high | 83 | Confident | 51 Ų | 51 | 62.1 Ų | 62.1 | 24% | 0.238 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 143.8 | -179.1 | -53.5 | -173.6 | -130.3 | 0 | 0 | 111 | F651 K654 V725 V726 T794 | F651-E710 HydrophobicContact CE1-CB 3.93Å; F651-E710 HydrophobicContact CZ-CB 4.37Å; K654-E710 WeakPolarHBondContact CE-OE2 3.48Å; K654-E710 IonicContact NZ-OE1 3.99Å; K654-E710 PolarHBondContact NZ-OE1 3.5Å; K654-E710 IonicContact NZ-OE2 2.73Å; K654-E710 PolarHBondContact NZ-OE2 2.95Å; E710-V725 PolarHBondContact O-N 3.05Å; E710-V726 HydrophobicContact CB-CB 3.9Å; E710-V726 HydrophobicContact CB-CG2 4.13Å; E710-V726 HydrophobicContact CG-CB 4.22Å; E710-V726 HydrophobicContact CG-CG2 4.49Å; E710-V726 PolarHBondContact N-O 2.79Å; E710-V726 PolarHBondContact O-N 2.81Å; E710-T794 PolarHBondContact OE2-OG1 3.27Å |
| 711 | H | 95.3 | Very high | 83.3 | Confident | 34 Ų | 34 | 60.4 Ų | 60.4 | 16% | 0.157 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 152.2 | -178.7 | 68.2 | -76.1 | 0 | 0 | 0 | 112.4 | I722 L723 A789 C793 T794 | H711-I722 HydrophobicContact CB-CG2 3.89Å; H711-L723 CarbonylContact C-O 3.5Å; H711-L723 VanDerWaalsContact CA-O 3.24Å; H711-L723 WeakPolarHBondContact CA-O 3.39Å; H711-L723 VanDerWaalsContact CB-O 3.32Å; H711-L723 WeakPolarHBondContact CB-O 3.34Å; H711-A789 PolarHBondContact NE2-O 3.08Å; H711-C793 WeakPolarHBondContact NE2-CA 3.45Å; H711-C793 WeakPolarHBondContact NE2-CB 3.26Å; H711-C793 WeakPolarHBondContact O-CA 3.34Å; H711-T794 PolarHBondContact O-N 3.43Å; H711-T794 PolarHBondContact O-OG1 3.36Å |
| 712 | A | 97.5 | Very high | 83.9 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 151.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | L723 V725 F795 | A712-L723 PolarHBondContact N-O 3.3Å; A712-L723 PolarHBondContact O-N 3.29Å; A712-V725 HydrophobicContact CB-CG2 4.14Å; A712-F795 WeakPolarHBondContact CA-O 3.43Å; A712-F795 HydrophobicContact CB-CD2 4.26Å; A712-F795 HydrophobicContact CB-CE2 3.99Å; A712-F795 HydrophobicContact CB-CZ 4.35Å |
| 713 | T | 97.8 | Very high | 85.1 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 123.1 | 168.3 | -60.4 | 0 | 0 | 0 | 0 | 108.7 | P720 F721 I790 C793 F795 V796 V797 | T713-P720 HydrophobicContact CG2-CB 3.9Å; T713-F721 CarbonylContact C-O 3.57Å; T713-F721 WeakPolarHBondContact CA-O 3.3Å; T713-I790 HydrophobicContact CG2-CG1 4.16Å; T713-C793 WeakPolarHBondContact OG1-CB 3.5Å; T713-C793 PolarHBondContact OG1-SG 3.24Å; T713-F795 PolarHBondContact N-O 3.27Å; T713-F795 VanDerWaalsContact N-O 3.09Å; T713-V796 CarbonylContact O-C 3.57Å; T713-V796 VanDerWaalsContact O-CA 3.27Å; T713-V796 WeakPolarHBondContact O-CA 3.36Å; T713-V797 PolarHBondContact O-N 3.31Å |
| 714 | V | 98 | Very high | 86.5 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 117.2 | 175.5 | -177.7 | 0 | 0 | 0 | 0 | 109.1 | P720 F721 L723 L741 I744 V797 L799 | V714-P720 CarbonylContact O-C 3.5Å; V714-F721 HydrophobicContact CB-CB 4.38Å; V714-F721 PolarHBondContact N-O 3.07Å; V714-F721 PolarHBondContact O-N 3.4Å; V714-L723 HydrophobicContact CG2-CB 3.77Å; V714-L723 HydrophobicContact CG2-CD2 3.91Å; V714-L723 HydrophobicContact CG2-CG 4.48Å; V714-L741 HydrophobicContact CG1-CD2 4.47Å; V714-L741 HydrophobicContact CG2-CD2 4.26Å; V714-I744 HydrophobicContact CB-CD1 4.13Å; V714-I744 HydrophobicContact CG1-CD1 4.39Å; V714-I744 HydrophobicContact CG1-CG2 4.04Å; V714-I744 HydrophobicContact CG2-CD1 4.05Å; V714-V797 CarbonylContact C-O 3.5Å; V714-V797 VanDerWaalsContact CA-O 3.3Å; V714-V797 WeakPolarHBondContact CA-O 3.41Å; V714-V797 HydrophobicContact CG2-CB 4.48Å; V714-L799 HydrophobicContact CG1-CD1 3.64Å; V714-L799 HydrophobicContact CG1-CG 3.78Å |
| 715 | M | 95.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 114.8 | 170.5 | -66.1 | -63.5 | -68.3 | 0 | 0 | 108.9 | M719 P720 V796 V797 C798 L799 N831 | M715-M719 WeakPolarHBondContact CA-O 3.47Å; M715-P720 HydrophobicContact SD-CB 3.7Å; M715-V796 HydrophobicContact CB-CG1 4.47Å; M715-V796 HydrophobicContact CG-CG1 3.63Å; M715-V797 PolarHBondContact N-O 3.42Å; M715-C798 HydrophobicContact CB-CB 4.47Å; M715-L799 PolarHBondContact O-N 3.03Å; M715-N831 WeakPolarHBondContact CB-OD1 3.23Å; M715-N831 PolarHBondContact O-ND2 3.34Å; M715-N831 PolarHBondContact O-OD1 2.69Å |
| 716 | C | 93.6 | Very high | 90 | Very high | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.014 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 124.8 | 175.6 | -170.5 | 0 | 0 | 0 | 0 | 109.9 | N718 M719 F721 I744 A748 L799 N831 | C716-N718 PolarHBondContact O-N 2.85Å; C716-M719 PolarHBondContact N-O 3.22Å; C716-M719 WeakPolarHBondContact O-CB 3.37Å; C716-M719 PolarHBondContact O-N 2.69Å; C716-F721 HydrophobicContact CB-CD2 4.43Å; C716-F721 HydrophobicContact CB-CE2 4.23Å; C716-I744 HydrophobicContact CB-CG2 4.05Å; C716-A748 HydrophobicContact CB-CB 4.12Å; C716-L799 HydrophobicContact CB-CB 4.5Å; C716-N831 PolarHBondContact N-OD1 2.89Å |
| 717 | K | 90.1 | Very high | 91.7 | Very high | 65 Ų | 65 | 36.7 Ų | 36.7 | 28% | 0.283 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 47 | -176.1 | -65.4 | -170.4 | 162.9 | -174.5 | 0 | 112.9 | M719 A748 N749 N831 | K717-M719 HydrophobicContact CB-CE 4.09Å; K717-M719 PolarHBondContact O-N 3.16Å; K717-A748 HydrophobicContact CB-CB 4.38Å; K717-N749 VanDerWaalsContact CE-OD1 3.22Å; K717-N749 WeakPolarHBondContact CE-OD1 3.27Å; K717-N749 PolarHBondContact NZ-OD1 2.93Å; K717-N831 PolarHBondContact N-OD1 2.56Å |
| 718 | N | 91.1 | Very high | 93 | Very high | 24 Ų | 24 | 41.1 Ų | 41.1 | 13% | 0.128 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | 1.4 | -179.5 | -42.2 | -46.6 | 0 | 0 | 0 | 115.5 | C716 S754 N831 | C716-N718 PolarHBondContact O-N 2.85Å; N718-S754 PolarHBondContact ND2-O 3.45Å; N718-N831 WeakPolarHBondContact CA-OD1 3.47Å; N718-N831 PolarHBondContact N-OD1 3.03Å; N718-N831 PolarHBondContact OD1-N 3.49Å |
| 719 | M | 91.3 | Very high | 93.4 | Very high | 19 Ų | 19 | 41 Ų | 41 | 9% | 0.094 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 131 | -178.8 | -66 | 173.2 | -68.9 | 0 | 0 | 110.9 | M715 C716 K717 F721 A748 E751 L757 | M715-M719 WeakPolarHBondContact CA-O 3.47Å; C716-M719 PolarHBondContact N-O 3.22Å; C716-M719 WeakPolarHBondContact O-CB 3.37Å; C716-M719 PolarHBondContact O-N 2.69Å; K717-M719 HydrophobicContact CB-CE 4.09Å; K717-M719 PolarHBondContact O-N 3.16Å; M719-F721 HydrophobicContact CB-CD2 4.41Å; M719-F721 HydrophobicContact CB-CE2 3.67Å; M719-F721 HydrophobicContact CB-CZ 4.17Å; M719-F721 HydrophobicContact CE-CZ 4.44Å; M719-F721 WeakPolarHBondContact O-CD2 3.41Å; M719-A748 VanDerWaalsContact CE-CA 3.46Å; M719-A748 HydrophobicContact CE-CB 3.63Å; M719-E751 HydrophobicContact CE-CB 4.07Å; M719-E751 HydrophobicContact CE-CG 4.45Å; M719-E751 HydrophobicContact SD-CB 3.91Å; M719-E751 HydrophobicContact SD-CG 3.72Å; M719-L757 HydrophobicContact CG-CB 4.46Å; M719-L757 HydrophobicContact CG-CD1 4.3Å; M719-L757 HydrophobicContact SD-CD1 4.16Å |
| 720 | P | 94.3 | Very high | 93.4 | Very high | 51 Ų | 51 | 44 Ų | 44 | 33% | 0.331 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 131.4 | 172.5 | 29.9 | -30.8 | 0 | 0 | 0 | 111.5 | T713 V714 M715 I759 I790 | T713-P720 HydrophobicContact CG2-CB 3.9Å; V714-P720 CarbonylContact O-C 3.5Å; M715-P720 HydrophobicContact SD-CB 3.7Å; P720-I759 HydrophobicContact CG-CG2 4.48Å; P720-I790 HydrophobicContact CB-CD1 3.94Å; P720-I790 HydrophobicContact CB-CG1 4.33Å; P720-I790 HydrophobicContact CG-CD1 4.06Å |
| 721 | F | 96.5 | Very high | 93.3 | Very high | 44 Ų | 44 | 43.6 Ų | 43.6 | 19% | 0.193 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 143.4 | 172.8 | -64.1 | -95.3 | 0 | 0 | 0 | 110.3 | T713 V714 C716 M719 I744 L747 A748 | T713-F721 CarbonylContact C-O 3.57Å; T713-F721 WeakPolarHBondContact CA-O 3.3Å; V714-F721 HydrophobicContact CB-CB 4.38Å; V714-F721 PolarHBondContact N-O 3.07Å; V714-F721 PolarHBondContact O-N 3.4Å; C716-F721 HydrophobicContact CB-CD2 4.43Å; C716-F721 HydrophobicContact CB-CE2 4.23Å; M719-F721 HydrophobicContact CB-CD2 4.41Å; M719-F721 HydrophobicContact CB-CE2 3.67Å; M719-F721 HydrophobicContact CB-CZ 4.17Å; M719-F721 HydrophobicContact CE-CZ 4.44Å; M719-F721 WeakPolarHBondContact O-CD2 3.41Å; F721-I744 HydrophobicContact CB-CD1 4.09Å; F721-I744 HydrophobicContact CB-CG1 4.11Å; F721-I744 HydrophobicContact CB-CG2 4.14Å; F721-I744 HydrophobicContact CD1-CG1 4.32Å; F721-I744 HydrophobicContact CD1-CG2 4.25Å; F721-I744 HydrophobicContact CD2-CG2 3.57Å; F721-I744 HydrophobicContact CE2-CG2 3.96Å; F721-I744 HydrophobicContact CG-CG1 4.2Å; F721-I744 HydrophobicContact CG-CG2 3.73Å; F721-I744 HydrophobicContact CZ-CG2 4.46Å; F721-L747 HydrophobicContact CE1-CB 4.11Å; F721-L747 HydrophobicContact CZ-CB 4.43Å; F721-A748 HydrophobicContact CE2-CB 4.12Å; F721-A748 HydrophobicContact CZ-CB 4.11Å |
| 722 | I | 96.8 | Very high | 93.2 | Very high | 103 Ų | 103 | 43.8 Ų | 43.8 | 53% | 0.528 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 121 | 173.5 | -62.5 | 173.3 | 0 | 0 | 0 | 108 | H711 P724 A789 | H711-I722 HydrophobicContact CB-CG2 3.89Å; I722-P724 WeakPolarHBondContact O-CD 3.31Å; I722-A789 HydrophobicContact CD1-CB 3.73Å; I722-A789 HydrophobicContact CG1-CB 4.34Å |
| 723 | L | 97.6 | Very high | 93.1 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 101.9 | 172.2 | 179.3 | 66.1 | 0 | 0 | 0 | 109 | I647 H711 A712 V714 V725 L737 D740 L741 I744 | I647-L723 HydrophobicContact CD1-CD2 3.9Å; H711-L723 CarbonylContact C-O 3.5Å; H711-L723 VanDerWaalsContact CA-O 3.24Å; H711-L723 WeakPolarHBondContact CA-O 3.39Å; H711-L723 VanDerWaalsContact CB-O 3.32Å; H711-L723 WeakPolarHBondContact CB-O 3.34Å; A712-L723 PolarHBondContact N-O 3.3Å; A712-L723 PolarHBondContact O-N 3.29Å; V714-L723 HydrophobicContact CG2-CB 3.77Å; V714-L723 HydrophobicContact CG2-CD2 3.91Å; V714-L723 HydrophobicContact CG2-CG 4.48Å; L723-V725 HydrophobicContact CD2-CG2 4.4Å; L723-V725 HydrophobicContact CG-CG2 4.23Å; L723-V725 WeakPolarHBondContact O-CG2 3.27Å; L723-V725 PolarHBondContact O-N 2.99Å; L723-L737 HydrophobicContact CD1-CD2 4.32Å; L723-L737 HydrophobicContact CD2-CD2 4.28Å; L723-L737 HydrophobicContact CG-CD2 4.32Å; L723-D740 HydrophobicContact CD1-CB 3.63Å; L723-L741 HydrophobicContact CD2-CD2 4.2Å; L723-L741 HydrophobicContact CD2-CG 4.48Å; L723-I744 HydrophobicContact CB-CD1 4.49Å; L723-I744 HydrophobicContact CD1-CD1 4.39Å |
| 724 | P | 96.4 | Very high | 92.9 | Very high | 47 Ų | 47 | 50 Ų | 50 | 31% | 0.305 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 124.3 | 171.9 | -18 | 31.1 | 0 | 0 | 0 | 109.6 | I722 L727 R732 | I722-P724 WeakPolarHBondContact O-CD 3.31Å; P724-L727 HydrophobicContact CB-CD2 4.01Å; P724-L727 HydrophobicContact CB-CG 4.48Å; P724-R732 VanDerWaalsContact O-CD 3.24Å; P724-R732 WeakPolarHBondContact O-CD 3.45Å; P724-R732 PolarHBondContact O-NH1 2.7Å |
| 725 | V | 96.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | -41.4 | -177.3 | -175.9 | 0 | 0 | 0 | 0 | 111.4 | I647 F651 E710 A712 L723 I731 R732 L737 | I647-V725 HydrophobicContact CG2-CG1 4.04Å; I647-V725 HydrophobicContact CG2-CG2 3.98Å; F651-V725 HydrophobicContact CD1-CG1 4.38Å; F651-V725 HydrophobicContact CD2-CB 4.07Å; F651-V725 HydrophobicContact CD2-CG1 3.47Å; F651-V725 VanDerWaalsContact CD2-CG1 3.47Å; F651-V725 HydrophobicContact CD2-CG2 4.39Å; F651-V725 HydrophobicContact CE1-CB 4.34Å; F651-V725 HydrophobicContact CE1-CG1 4.42Å; F651-V725 HydrophobicContact CE2-CB 3.55Å; F651-V725 HydrophobicContact CE2-CG1 3.52Å; F651-V725 HydrophobicContact CE2-CG2 3.67Å; F651-V725 HydrophobicContact CG-CG1 3.92Å; F651-V725 HydrophobicContact CZ-CB 3.7Å; F651-V725 HydrophobicContact CZ-CG1 4.01Å; F651-V725 HydrophobicContact CZ-CG2 4.1Å; E710-V725 PolarHBondContact O-N 3.05Å; A712-V725 HydrophobicContact CB-CG2 4.14Å; L723-V725 HydrophobicContact CD2-CG2 4.4Å; L723-V725 HydrophobicContact CG-CG2 4.23Å; L723-V725 WeakPolarHBondContact O-CG2 3.27Å; L723-V725 PolarHBondContact O-N 2.99Å; V725-I731 HydrophobicContact CG1-CG2 4.19Å; V725-I731 WeakPolarHBondContact O-CA 3.4Å; V725-R732 WeakPolarHBondContact O-CG 3.49Å; V725-R732 PolarHBondContact O-N 3.38Å; V725-L737 HydrophobicContact CG1-CD1 4.33Å; V725-L737 HydrophobicContact CG1-CD2 4.33Å; V725-L737 HydrophobicContact CG2-CD2 4.24Å |
| 726 | V | 93.4 | Very high | 92.8 | Very high | 9 Ų | 9 | 60.1 Ų | 60.1 | 6% | 0.055 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 122.9 | 174.4 | -177.6 | 0 | 0 | 0 | 0 | 108 | F651 D709 E710 K730 I731 | F651-V726 HydrophobicContact CD1-CG2 3.59Å; F651-V726 HydrophobicContact CE1-CG2 3.63Å; D709-V726 WeakPolarHBondContact CA-O 3.41Å; E710-V726 HydrophobicContact CB-CB 3.9Å; E710-V726 HydrophobicContact CB-CG2 4.13Å; E710-V726 HydrophobicContact CG-CB 4.22Å; E710-V726 HydrophobicContact CG-CG2 4.49Å; E710-V726 PolarHBondContact N-O 2.79Å; E710-V726 PolarHBondContact O-N 2.81Å; V726-K730 WeakPolarHBondContact CA-O 3.38Å; V726-I731 HydrophobicContact CG2-CG1 4.05Å |
| 727 | L | 91.3 | Very high | 93 | Very high | 72 Ų | 72 | 60 Ų | 60 | 38% | 0.377 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 128 | 173.5 | -65.6 | 176.5 | 0 | 0 | 0 | 108.8 | D709 P724 G729 K730 R732 | D709-L727 HydrophobicContact CB-CD2 4.24Å; D709-L727 VanDerWaalsContact OD1-CA 3.3Å; D709-L727 WeakPolarHBondContact OD1-CA 3.26Å; P724-L727 HydrophobicContact CB-CD2 4.01Å; P724-L727 HydrophobicContact CB-CG 4.48Å; L727-G729 PolarHBondContact O-N 3.17Å; L727-K730 PolarHBondContact N-O 3.2Å; L727-K730 PolarHBondContact O-N 3.22Å; L727-R732 HydrophobicContact CD1-CG 4.2Å; L727-R732 HydrophobicContact CG-CG 4.39Å |
| 728 | K | 86 | Confident | 93.3 | Very high | 192 Ų | 192 | 56.9 Ų | 56.9 | 84% | 0.835 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 41.9 | -178.5 | -56 | 178.2 | 179.8 | 179.7 | 0 | 112.3 | D709 K730 | D709-K728 PolarHBondContact OD1-N 3.02Å; K728-K730 VanDerWaalsContact C-N 3.29Å; K728-K730 PolarHBondContact O-N 3.44Å |
| 729 | G | 82.5 | Confident | 93.6 | Very high | 47 Ų | 47 | 59.8 Ų | 59.8 | 49% | 0.485 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | 6.1 | -180 | 0 | 0 | 0 | 0 | 0 | 116.2 | L727 | L727-G729 PolarHBondContact O-N 3.17Š|
| 730 | K | 87.9 | Confident | 93.9 | Very high | 162 Ų | 162 | 61.3 Ų | 61.3 | 70% | 0.704 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 132.1 | 178.8 | -165.5 | 178.5 | 178.7 | -176.8 | 0 | 111.7 | V726 L727 K728 R732 | V726-K730 WeakPolarHBondContact CA-O 3.38Å; L727-K730 PolarHBondContact N-O 3.2Å; L727-K730 PolarHBondContact O-N 3.22Å; K728-K730 VanDerWaalsContact C-N 3.29Å; K728-K730 PolarHBondContact O-N 3.44Å; K730-R732 PolarHBondContact O-N 3.45Å |
| 731 | I | 90.3 | Very high | 94.1 | Very high | 42 Ų | 42 | 58.9 Ų | 58.9 | 22% | 0.215 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 130.2 | 172.1 | -57.3 | 169.7 | 0 | 0 | 0 | 108.7 | F651 V725 V726 | F651-I731 HydrophobicContact CB-CD1 3.85Å; F651-I731 HydrophobicContact CB-CG1 4.3Å; V725-I731 HydrophobicContact CG1-CG2 4.19Å; V725-I731 WeakPolarHBondContact O-CA 3.4Å; V726-I731 HydrophobicContact CG2-CG1 4.05Å |
| 732 | R | 94.2 | Very high | 94.1 | Very high | 38 Ų | 38 | 58 Ų | 58 | 14% | 0.143 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -64 | 157.3 | 176.3 | -71.8 | 177.2 | 68.5 | -162.4 | 0.4 | 111.9 | P724 V725 L727 K730 L737 D740 | P724-R732 VanDerWaalsContact O-CD 3.24Å; P724-R732 WeakPolarHBondContact O-CD 3.45Å; P724-R732 PolarHBondContact O-NH1 2.7Å; V725-R732 WeakPolarHBondContact O-CG 3.49Å; V725-R732 PolarHBondContact O-N 3.38Å; L727-R732 HydrophobicContact CD1-CG 4.2Å; L727-R732 HydrophobicContact CG-CG 4.39Å; K730-R732 PolarHBondContact O-N 3.45Å; R732-L737 HydrophobicContact CB-CD2 4.29Å; R732-L737 HydrophobicContact CB-CG 4.31Å; R732-D740 IonicContact CZ-OD2 2.67Å; R732-D740 IonicContact NH1-OD2 3.15Å; R732-D740 PolarHBondContact NH1-OD2 2.98Å; R732-D740 IonicContact NH2-OD1 2.96Å; R732-D740 IonicContact NH2-OD2 3.29Å; R732-D740 PolarHBondContact NH2-OD2 3.49Å |
| 733 | S | 94.5 | Very high | 94.1 | Very high | 54 Ų | 54 | 59.5 Ų | 59.5 | 38% | 0.378 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 153.7 | -177.9 | 68.9 | 0 | 0 | 0 | 0 | 112.4 | Q735 E736 L737 | S733-Q735 PolarHBondContact O-N 3.04Å; S733-E736 WeakPolarHBondContact CB-OE2 3.46Å; S733-E736 PolarHBondContact N-OE2 3.24Å; S733-E736 PolarHBondContact O-N 3.39Å; S733-E736 WeakPolarHBondContact OG-CB 3.16Å; S733-E736 WeakPolarHBondContact OG-CG 3.43Å; S733-E736 PolarHBondContact OG-N 2.9Å; S733-E736 PolarHBondContact OG-OE2 2.97Å; S733-L737 PolarHBondContact O-N 2.93Å |
| 734 | L | 94.3 | Very high | 94.1 | Very high | 77 Ų | 77 | 60 Ų | 60 | 40% | 0.403 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -56.9 | -37.3 | 177.1 | -66.9 | 174.4 | 0 | 0 | 0 | 112.4 | A644 H648 S738 | A644-L734 HydrophobicContact CB-CD2 4.46Å; H648-L734 HydrophobicContact CB-CD2 3.75Å; L734-S738 WeakPolarHBondContact O-CB 3.35Å; L734-S738 PolarHBondContact O-N 2.99Å |
| 735 | Q | 95.4 | Very high | 94 | Very high | 125 Ų | 125 | 58.3 Ų | 58.3 | 58% | 0.584 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -65.2 | -44.5 | 179 | -163.6 | 80.6 | 42.1 | 0 | 0 | 111.4 | S733 S738 N739 | S733-Q735 PolarHBondContact O-N 3.04Å; Q735-S738 PolarHBondContact O-N 3.23Å; Q735-N739 WeakPolarHBondContact O-CB 3.49Å; Q735-N739 PolarHBondContact O-N 3.29Å; Q735-N739 PolarHBondContact O-OD1 3.11Å |
| 736 | E | 95.9 | Very high | 93.9 | Very high | 87 Ų | 87 | 62.9 Ų | 62.9 | 41% | 0.407 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.6 | -46.3 | 178 | -73.8 | 167.1 | 135.7 | 0 | 0 | 111.6 | S733 S738 N739 D740 | S733-E736 WeakPolarHBondContact CB-OE2 3.46Å; S733-E736 PolarHBondContact N-OE2 3.24Å; S733-E736 PolarHBondContact O-N 3.39Å; S733-E736 WeakPolarHBondContact OG-CB 3.16Å; S733-E736 WeakPolarHBondContact OG-CG 3.43Å; S733-E736 PolarHBondContact OG-N 2.9Å; S733-E736 PolarHBondContact OG-OE2 2.97Å; E736-S738 VanDerWaalsContact C-N 3.35Å; E736-S738 PolarHBondContact O-N 2.98Å; E736-N739 PolarHBondContact O-N 3.42Å; E736-D740 PolarHBondContact O-N 2.98Å |
| 737 | L | 97 | Very high | 94 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 177 | -66.8 | 175.1 | 0 | 0 | 0 | 111.5 | A644 I647 L723 V725 R732 S733 D740 L741 | A644-L737 HydrophobicContact CB-CB 3.86Å; I647-L737 HydrophobicContact CG2-CD1 4.38Å; L723-L737 HydrophobicContact CD1-CD2 4.32Å; L723-L737 HydrophobicContact CD2-CD2 4.28Å; L723-L737 HydrophobicContact CG-CD2 4.32Å; V725-L737 HydrophobicContact CG1-CD1 4.33Å; V725-L737 HydrophobicContact CG1-CD2 4.33Å; V725-L737 HydrophobicContact CG2-CD2 4.24Å; R732-L737 HydrophobicContact CB-CD2 4.29Å; R732-L737 HydrophobicContact CB-CG 4.31Å; S733-L737 PolarHBondContact O-N 2.93Å; L737-D740 PolarHBondContact O-N 3.44Å; L737-L741 WeakPolarHBondContact O-CB 3.24Å; L737-L741 WeakPolarHBondContact O-CD1 3.45Å; L737-L741 WeakPolarHBondContact O-CG 3.37Å; L737-L741 PolarHBondContact O-N 2.9Å |
| 738 | S | 97.2 | Very high | 94 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63 | -43.2 | 178.2 | -172.2 | 0 | 0 | 0 | 0 | 112.2 | Q637 F640 N641 L734 Q735 E736 L741 S742 | Q637-S738 PolarHBondContact NE2-OG 3.4Å; F640-S738 WeakPolarHBondContact CB-OG 3.31Å; N641-S738 PolarHBondContact N-OG 2.78Å; N641-S738 WeakPolarHBondContact OD1-CB 3.37Å; N641-S738 PolarHBondContact OD1-OG 3.15Å; L734-S738 WeakPolarHBondContact O-CB 3.35Å; L734-S738 PolarHBondContact O-N 2.99Å; Q735-S738 PolarHBondContact O-N 3.23Å; E736-S738 VanDerWaalsContact C-N 3.35Å; E736-S738 PolarHBondContact O-N 2.98Å; S738-L741 PolarHBondContact O-N 3.08Å; S738-S742 PolarHBondContact O-N 2.8Å |
| 739 | N | 97.2 | Very high | 94.2 | Very high | 84 Ų | 84 | 57.8 Ų | 57.8 | 45% | 0.449 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.7 | -43.4 | 176.5 | -69.8 | -8.6 | 0 | 0 | 0 | 111.9 | Q735 E736 L741 S742 R743 | Q735-N739 WeakPolarHBondContact O-CB 3.49Å; Q735-N739 PolarHBondContact O-N 3.29Å; Q735-N739 PolarHBondContact O-OD1 3.11Å; E736-N739 PolarHBondContact O-N 3.42Å; N739-L741 VanDerWaalsContact C-N 3.35Å; N739-S742 PolarHBondContact O-N 3.18Å; N739-R743 PolarHBondContact O-N 3.25Å |
| 740 | D | 97.4 | Very high | 94.7 | Very high | 51 Ų | 51 | 59.1 Ų | 59.1 | 27% | 0.273 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.2 | -37.4 | 178 | -74.9 | -4.7 | 0 | 0 | 0 | 111.8 | L723 R732 E736 L737 R743 I744 | L723-D740 HydrophobicContact CD1-CB 3.63Å; R732-D740 IonicContact CZ-OD2 2.67Å; R732-D740 IonicContact NH1-OD2 3.15Å; R732-D740 PolarHBondContact NH1-OD2 2.98Å; R732-D740 IonicContact NH2-OD1 2.96Å; R732-D740 IonicContact NH2-OD2 3.29Å; R732-D740 PolarHBondContact NH2-OD2 3.49Å; E736-D740 PolarHBondContact O-N 2.98Å; L737-D740 PolarHBondContact O-N 3.44Å; D740-R743 PolarHBondContact O-N 3.3Å; D740-I744 VanDerWaalsContact O-CG1 3.29Å; D740-I744 WeakPolarHBondContact O-CG1 3.35Å; D740-I744 PolarHBondContact O-N 3.31Å |
| 741 | L | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 174.1 | -72.9 | 164.6 | 0 | 0 | 0 | 111.6 | F640 V643 A644 I647 V714 L723 L737 S738 N739 R743 I744 V745 L799 | F640-L741 HydrophobicContact CD1-CB 3.96Å; F640-L741 HydrophobicContact CG-CB 4.46Å; V643-L741 HydrophobicContact CB-CD1 3.87Å; V643-L741 HydrophobicContact CG1-CD1 3.58Å; V643-L741 HydrophobicContact CG1-CD2 4.04Å; V643-L741 HydrophobicContact CG1-CG 4.47Å; A644-L741 HydrophobicContact CB-CD1 4.15Å; I647-L741 HydrophobicContact CD1-CD1 4.31Å; I647-L741 HydrophobicContact CD1-CD2 4.37Å; V714-L741 HydrophobicContact CG1-CD2 4.47Å; V714-L741 HydrophobicContact CG2-CD2 4.26Å; L723-L741 HydrophobicContact CD2-CD2 4.2Å; L723-L741 HydrophobicContact CD2-CG 4.48Å; L737-L741 WeakPolarHBondContact O-CB 3.24Å; L737-L741 WeakPolarHBondContact O-CD1 3.45Å; L737-L741 WeakPolarHBondContact O-CG 3.37Å; L737-L741 PolarHBondContact O-N 2.9Å; S738-L741 PolarHBondContact O-N 3.08Å; N739-L741 VanDerWaalsContact C-N 3.35Å; L741-R743 VanDerWaalsContact C-N 3.29Å; L741-R743 PolarHBondContact O-N 3.49Å; L741-I744 PolarHBondContact O-N 3.32Å; L741-V745 PolarHBondContact O-N 3.48Å; L741-V745 VanDerWaalsContact O-N 3.1Å; L741-L799 HydrophobicContact CD2-CD1 4.13Å |
| 742 | S | 96.8 | Very high | 94.2 | Very high | 27 Ų | 27 | 62.5 Ų | 62.5 | 19% | 0.189 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.7 | -43.8 | 173 | -172.4 | 0 | 0 | 0 | 0 | 111 | S738 N739 I744 V745 E746 | S738-S742 PolarHBondContact O-N 2.8Å; N739-S742 PolarHBondContact O-N 3.18Å; S742-I744 PolarHBondContact O-N 3.08Å; S742-V745 PolarHBondContact O-N 2.73Å; S742-E746 WeakPolarHBondContact O-CG 3.34Å; S742-E746 PolarHBondContact O-N 3.24Å |
| 743 | R | 97 | Very high | 93.3 | Very high | 134 Ų | 134 | 66 Ų | 66 | 51% | 0.506 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.5 | -38.9 | 179.4 | -173.7 | 57.2 | 177.9 | 163.1 | 2.9 | 112.9 | N739 D740 L741 V745 E746 L747 | N739-R743 PolarHBondContact O-N 3.25Å; D740-R743 PolarHBondContact O-N 3.3Å; L741-R743 VanDerWaalsContact C-N 3.29Å; L741-R743 PolarHBondContact O-N 3.49Å; R743-V745 VanDerWaalsContact C-N 3.33Å; R743-E746 WeakPolarHBondContact CD-OE2 3.5Å; R743-E746 IonicContact CZ-OE2 2.8Å; R743-E746 IonicContact NH1-OE2 3.49Å; R743-E746 PolarHBondContact NH1-OE2 3.01Å; R743-E746 WeakPolarHBondContact O-CB 3.49Å; R743-E746 PolarHBondContact O-N 2.98Å; R743-L747 HydrophobicContact CG-CD1 4.21Å; R743-L747 VanDerWaalsContact O-CG 3.32Å; R743-L747 WeakPolarHBondContact O-CG 3.27Å; R743-L747 PolarHBondContact O-N 3.16Å |
| 744 | I | 96.6 | Very high | 92.1 | Very high | 13 Ų | 13 | 64.3 Ų | 64.3 | 7% | 0.067 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60 | -45.9 | 174.5 | -74.6 | 165.1 | 0 | 0 | 0 | 110.1 | V714 C716 F721 L723 D740 L741 S742 E746 L747 A748 | V714-I744 HydrophobicContact CB-CD1 4.13Å; V714-I744 HydrophobicContact CG1-CD1 4.39Å; V714-I744 HydrophobicContact CG1-CG2 4.04Å; V714-I744 HydrophobicContact CG2-CD1 4.05Å; C716-I744 HydrophobicContact CB-CG2 4.05Å; F721-I744 HydrophobicContact CB-CD1 4.09Å; F721-I744 HydrophobicContact CB-CG1 4.11Å; F721-I744 HydrophobicContact CB-CG2 4.14Å; F721-I744 HydrophobicContact CD1-CG1 4.32Å; F721-I744 HydrophobicContact CD1-CG2 4.25Å; F721-I744 HydrophobicContact CD2-CG2 3.57Å; F721-I744 HydrophobicContact CE2-CG2 3.96Å; F721-I744 HydrophobicContact CG-CG1 4.2Å; F721-I744 HydrophobicContact CG-CG2 3.73Å; F721-I744 HydrophobicContact CZ-CG2 4.46Å; L723-I744 HydrophobicContact CB-CD1 4.49Å; L723-I744 HydrophobicContact CD1-CD1 4.39Å; D740-I744 VanDerWaalsContact O-CG1 3.29Å; D740-I744 WeakPolarHBondContact O-CG1 3.35Å; D740-I744 PolarHBondContact O-N 3.31Å; L741-I744 PolarHBondContact O-N 3.32Å; S742-I744 PolarHBondContact O-N 3.08Å; I744-E746 VanDerWaalsContact C-N 3.35Å; I744-E746 PolarHBondContact O-N 3.28Å; I744-L747 PolarHBondContact O-N 2.92Å; I744-A748 WeakPolarHBondContact O-CB 3.04Å; I744-A748 PolarHBondContact O-N 3.27Å |
| 745 | V | 95 | Very high | 90.7 | Very high | 10 Ų | 10 | 69.2 Ų | 69.2 | 6% | 0.061 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.9 | -40 | 177.6 | 172.7 | 0 | 0 | 0 | 0 | 111.6 | F640 L741 S742 R743 A748 N749 L799 | F640-V745 HydrophobicContact CE1-CB 4.38Å; F640-V745 HydrophobicContact CE1-CG2 3.72Å; F640-V745 HydrophobicContact CZ-CB 4.1Å; F640-V745 HydrophobicContact CZ-CG1 4.42Å; F640-V745 HydrophobicContact CZ-CG2 3.94Å; L741-V745 PolarHBondContact O-N 3.48Å; L741-V745 VanDerWaalsContact O-N 3.1Å; S742-V745 PolarHBondContact O-N 2.73Å; R743-V745 VanDerWaalsContact C-N 3.33Å; V745-A748 PolarHBondContact O-N 3.34Å; V745-N749 WeakPolarHBondContact O-CB 3.44Å; V745-N749 PolarHBondContact O-N 3.25Å; V745-N749 PolarHBondContact O-ND2 3.38Å; V745-N749 VanDerWaalsContact O-ND2 3.15Å; V745-L799 HydrophobicContact CG2-CD1 3.88Å |
| 746 | E | 94.8 | Very high | 89.6 | Confident | 97 Ų | 97 | 69.5 Ų | 69.5 | 45% | 0.453 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60 | -47.5 | 173.6 | -73.8 | 173.4 | -171.9 | 0 | 0 | 112.5 | S742 R743 I744 A748 N749 A750 | S742-E746 WeakPolarHBondContact O-CG 3.34Å; S742-E746 PolarHBondContact O-N 3.24Å; R743-E746 WeakPolarHBondContact CD-OE2 3.5Å; R743-E746 IonicContact CZ-OE2 2.8Å; R743-E746 IonicContact NH1-OE2 3.49Å; R743-E746 PolarHBondContact NH1-OE2 3.01Å; R743-E746 WeakPolarHBondContact O-CB 3.49Å; R743-E746 PolarHBondContact O-N 2.98Å; I744-E746 VanDerWaalsContact C-N 3.35Å; I744-E746 PolarHBondContact O-N 3.28Å; E746-A748 VanDerWaalsContact C-N 3.33Å; E746-A748 PolarHBondContact O-N 3.1Å; E746-N749 PolarHBondContact O-N 3.34Å; E746-A750 PolarHBondContact O-N 3.37Å |
| 747 | L | 94.5 | Very high | 88.5 | Confident | 77 Ų | 77 | 69.4 Ų | 69.4 | 40% | 0.403 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 178 | -69.5 | 166.5 | 0 | 0 | 0 | 110.9 | F721 R743 I744 N749 A750 E751 | F721-L747 HydrophobicContact CE1-CB 4.11Å; F721-L747 HydrophobicContact CZ-CB 4.43Å; R743-L747 HydrophobicContact CG-CD1 4.21Å; R743-L747 VanDerWaalsContact O-CG 3.32Å; R743-L747 WeakPolarHBondContact O-CG 3.27Å; R743-L747 PolarHBondContact O-N 3.16Å; I744-L747 PolarHBondContact O-N 2.92Å; L747-N749 VanDerWaalsContact C-N 3.28Å; L747-N749 PolarHBondContact O-N 3.19Å; L747-A750 PolarHBondContact O-N 3.38Å; L747-E751 PolarHBondContact O-N 3.29Å |
| 748 | A | 92 | Very high | 87.9 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.9 | -31.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | C716 K717 M719 F721 I744 V745 E746 | C716-A748 HydrophobicContact CB-CB 4.12Å; K717-A748 HydrophobicContact CB-CB 4.38Å; M719-A748 VanDerWaalsContact CE-CA 3.46Å; M719-A748 HydrophobicContact CE-CB 3.63Å; F721-A748 HydrophobicContact CE2-CB 4.12Å; F721-A748 HydrophobicContact CZ-CB 4.11Å; I744-A748 WeakPolarHBondContact O-CB 3.04Å; I744-A748 PolarHBondContact O-N 3.27Å; V745-A748 PolarHBondContact O-N 3.34Å; E746-A748 VanDerWaalsContact C-N 3.33Å; E746-A748 PolarHBondContact O-N 3.1Å |
| 749 | N | 90.6 | Very high | 87.5 | Confident | 89 Ų | 89 | 73.3 Ų | 73.3 | 48% | 0.476 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -75.7 | -28.2 | 175 | -74.7 | -29.1 | 0 | 0 | 0 | 113.3 | K717 V745 E746 L747 | K717-N749 VanDerWaalsContact CE-OD1 3.22Å; K717-N749 WeakPolarHBondContact CE-OD1 3.27Å; K717-N749 PolarHBondContact NZ-OD1 2.93Å; V745-N749 WeakPolarHBondContact O-CB 3.44Å; V745-N749 PolarHBondContact O-N 3.25Å; V745-N749 PolarHBondContact O-ND2 3.38Å; V745-N749 VanDerWaalsContact O-ND2 3.15Å; E746-N749 PolarHBondContact O-N 3.34Å; L747-N749 VanDerWaalsContact C-N 3.28Å; L747-N749 PolarHBondContact O-N 3.19Å |
| 750 | A | 91.7 | Very high | 87.2 | Confident | 75 Ų | 75 | 69.3 Ų | 69.3 | 62% | 0.62 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -76.4 | -25 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E746 L747 K752 | E746-A750 PolarHBondContact O-N 3.37Å; L747-A750 PolarHBondContact O-N 3.38Å; A750-K752 PolarHBondContact O-N 2.86Å |
| 751 | E | 88.6 | Confident | 86.9 | Confident | 81 Ų | 81 | 68.3 Ų | 68.3 | 38% | 0.379 | 35% | 0.348 | S | S | . | . | trans | -75.4 | 117.2 | -180 | -174.5 | 47.3 | -106.9 | 0 | 0 | 111.8 | M719 L747 H753 L757 | M719-E751 HydrophobicContact CE-CB 4.07Å; M719-E751 HydrophobicContact CE-CG 4.45Å; M719-E751 HydrophobicContact SD-CB 3.91Å; M719-E751 HydrophobicContact SD-CG 3.72Å; L747-E751 PolarHBondContact O-N 3.29Å; E751-H753 IonicContact OE1-CD2 2.64Å; E751-H753 PolarHBondContact OE1-N 3.44Å; E751-L757 HydrophobicContact CG-CD1 4.27Å | ||
| 752 | K | 78.9 | Confident | 86.6 | Confident | 193 Ų | 193 | 69.4 Ų | 69.4 | 84% | 0.839 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -24.4 | -175.7 | -70.4 | -176.2 | 179.4 | 178.3 | 0 | 112.8 | A750 | A750-K752 PolarHBondContact O-N 2.86Š|
| 753 | H | 76.7 | Confident | 86.5 | Confident | 112 Ų | 112 | 68.1 Ų | 68.1 | 52% | 0.519 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 18.7 | -175.4 | -64.6 | -68 | 0 | 0 | 0 | 113.9 | E751 K755 D756 L757 | E751-H753 IonicContact OE1-CD2 2.64Å; E751-H753 PolarHBondContact OE1-N 3.44Å; H753-K755 PolarHBondContact O-N 2.85Å; H753-K755 VanDerWaalsContact O-N 3.07Å; H753-D756 IonicContact ND1-OD2 3.9Å; H753-D756 PolarHBondContact ND1-OD2 3.26Å; H753-D756 PolarHBondContact O-N 2.83Å; H753-L757 PolarHBondContact O-N 3.33Å |
| 754 | S | 68.4 | Low | 86.3 | Confident | 19 Ų | 19 | 63.4 Ų | 63.4 | 13% | 0.133 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -26.9 | -176.2 | 66.6 | 0 | 0 | 0 | 0 | 114.5 | N718 | N718-S754 PolarHBondContact ND2-O 3.45Š|
| 755 | K | 65.7 | Low | 86.1 | Confident | 180 Ų | 180 | 65.9 Ų | 65.9 | 78% | 0.783 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -28.7 | 175.6 | -69.9 | -172.8 | 177.3 | -177.7 | 0 | 113.8 | H753 L757 | H753-K755 PolarHBondContact O-N 2.85Å; H753-K755 VanDerWaalsContact O-N 3.07Å; K755-L757 VanDerWaalsContact C-N 3.29Å |
| 756 | D | 71.8 | Confident | 86 | Confident | 131 Ų | 131 | 67.9 Ų | 67.9 | 70% | 0.701 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -15.2 | -180 | -57.3 | -35.4 | 0 | 0 | 0 | 111.5 | H753 A758 | H753-D756 IonicContact ND1-OD2 3.9Å; H753-D756 PolarHBondContact ND1-OD2 3.26Å; H753-D756 PolarHBondContact O-N 2.83Å; D756-A758 PolarHBondContact O-N 3.07Å |
| 757 | L | 73.6 | Confident | 86.1 | Confident | 85 Ų | 85 | 63.2 Ų | 63.2 | 45% | 0.445 | 33% | 0.331 | S | S | . | . | trans | -93.8 | 27.8 | -173.5 | -70.5 | 165.2 | 0 | 0 | 0 | 113.9 | M719 E751 H753 K755 I759 | M719-L757 HydrophobicContact CG-CB 4.46Å; M719-L757 HydrophobicContact CG-CD1 4.3Å; M719-L757 HydrophobicContact SD-CD1 4.16Å; E751-L757 HydrophobicContact CG-CD1 4.27Å; H753-L757 PolarHBondContact O-N 3.33Å; K755-L757 VanDerWaalsContact C-N 3.29Å; L757-I759 PolarHBondContact O-N 2.87Å | ||
| 758 | A | 83.3 | Confident | 86.1 | Confident | 24 Ų | 24 | 61.1 Ų | 61.1 | 20% | 0.198 | 32% | 0.32 | C | S | . | . | trans | -70.3 | 50.3 | -175 | 0 | 0 | 0 | 0 | 0 | 114.7 | D756 G760 A761 F830 | D756-A758 PolarHBondContact O-N 3.07Å; A758-G760 PolarHBondContact O-N 2.84Å; A758-G760 VanDerWaalsContact O-N 3.16Å; A758-A761 WeakPolarHBondContact O-CB 2.91Å; A758-A761 PolarHBondContact O-N 2.94Å; A758-F830 HydrophobicContact CB-CB 3.77Å; A758-F830 HydrophobicContact CB-CD2 3.84Å; A758-F830 HydrophobicContact CB-CG 3.8Å | ||
| 759 | I | 88.8 | Confident | 86.3 | Confident | 57 Ų | 57 | 69.5 Ų | 69.5 | 29% | 0.292 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -60.1 | -29.1 | -174.8 | -165 | 63 | 0 | 0 | 0 | 112.8 | P720 L757 A761 V762 L777 W833 | P720-I759 HydrophobicContact CG-CG2 4.48Å; L757-I759 PolarHBondContact O-N 2.87Å; I759-A761 PolarHBondContact O-N 3.44Å; I759-A761 VanDerWaalsContact O-N 3.11Å; I759-V762 PolarHBondContact O-N 3.48Å; I759-L777 HydrophobicContact CD1-CD1 3.76Å; I759-L777 HydrophobicContact CD1-CD2 3.78Å; I759-L777 HydrophobicContact CD1-CG 4.45Å; I759-W833 HydrophobicContact CG2-CZ3 4.4Å |
| 760 | G | 91 | Very high | 86.5 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -58 | -23.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A758 V762 T763 R832 | A758-G760 PolarHBondContact O-N 2.84Å; A758-G760 VanDerWaalsContact O-N 3.16Å; G760-V762 PolarHBondContact O-N 2.67Å; G760-V762 VanDerWaalsContact O-N 3.16Å; G760-T763 PolarHBondContact O-N 3.26Å; G760-T763 PolarHBondContact O-OG1 2.69Å; G760-R832 VanDerWaalsContact CA-O 3.28Å; G760-R832 WeakPolarHBondContact CA-O 3.12Å |
| 761 | A | 90.5 | Very high | 86.7 | Confident | 30 Ų | 30 | 62.4 Ų | 62.4 | 25% | 0.248 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -59.1 | -27 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A758 I759 T763 M764 F830 | A758-A761 WeakPolarHBondContact O-CB 2.91Å; A758-A761 PolarHBondContact O-N 2.94Å; I759-A761 PolarHBondContact O-N 3.44Å; I759-A761 VanDerWaalsContact O-N 3.11Å; A761-T763 PolarHBondContact O-N 2.8Å; A761-M764 WeakPolarHBondContact O-CB 3.3Å; A761-M764 PolarHBondContact O-N 3.44Å; A761-F830 HydrophobicContact CB-CD1 3.72Å; A761-F830 HydrophobicContact CB-CE1 3.99Å |
| 762 | V | 92.9 | Very high | 87 | Confident | 23 Ų | 23 | 62 Ų | 62 | 14% | 0.139 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -60.5 | -28.9 | 174.9 | 141.8 | 0 | 0 | 0 | 0 | 112.4 | I759 G760 M764 I765 A770 A773 Y774 L777 | I759-V762 PolarHBondContact O-N 3.48Å; G760-V762 PolarHBondContact O-N 2.67Å; G760-V762 VanDerWaalsContact O-N 3.16Å; V762-M764 PolarHBondContact O-N 3.43Å; V762-I765 WeakPolarHBondContact O-CG1 3.3Å; V762-A770 WeakPolarHBondContact O-CB 3.39Å; V762-A773 HydrophobicContact CG1-CB 4.5Å; V762-A773 HydrophobicContact CG2-CB 3.51Å; V762-Y774 HydrophobicContact CG1-CD1 4.06Å; V762-Y774 HydrophobicContact CG1-CD2 4.4Å; V762-Y774 HydrophobicContact CG1-CE1 3.46Å; V762-Y774 VanDerWaalsContact CG1-CE1 3.46Å; V762-Y774 HydrophobicContact CG1-CE2 3.87Å; V762-Y774 HydrophobicContact CG1-CG 4.49Å; V762-L777 HydrophobicContact CG2-CD1 4.33Å |
| 763 | T | 94.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -79.1 | -7.8 | 178.8 | 67.9 | 0 | 0 | 0 | 0 | 113.1 | G760 A761 Y774 W833 F834 E835 | G760-T763 PolarHBondContact O-N 3.26Å; G760-T763 PolarHBondContact O-OG1 2.69Å; A761-T763 PolarHBondContact O-N 2.8Å; T763-Y774 WeakPolarHBondContact CG2-OH 2.96Å; T763-W833 HydrophobicContact CG2-CD2 3.82Å; T763-W833 HydrophobicContact CG2-CE3 4.15Å; T763-W833 HydrophobicContact CG2-CG 4.17Å; T763-W833 HydrophobicContact CG2-CH2 4.48Å; T763-W833 HydrophobicContact CG2-CZ2 4.21Å; T763-W833 HydrophobicContact CG2-CZ3 4.46Å; T763-F834 WeakPolarHBondContact OG1-CD2 3.25Å; T763-F834 PolarHBondContact OG1-N 2.84Å; T763-F834 VanDerWaalsContact OG1-N 3.08Å; T763-E835 HydrophobicContact CG2-CG 4.12Å |
| 764 | M | 91.8 | Very high | 88.6 | Confident | 36 Ų | 36 | 49.3 Ų | 49.3 | 18% | 0.177 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -103.3 | -1.2 | -172.9 | -56.4 | -175.1 | 73.4 | 0 | 0 | 114.4 | P617 P619 A761 V762 L829 F830 F834 | P617-M764 WeakPolarHBondContact CB-O 3.46Å; P619-M764 HydrophobicContact CG-CB 4.26Å; P619-M764 HydrophobicContact CG-CE 4.35Å; P619-M764 HydrophobicContact CG-CG 4.41Å; A761-M764 WeakPolarHBondContact O-CB 3.3Å; A761-M764 PolarHBondContact O-N 3.44Å; V762-M764 PolarHBondContact O-N 3.43Å; M764-L829 HydrophobicContact CE-CD1 3.34Å; M764-L829 HydrophobicContact CE-CG 3.81Å; M764-L829 HydrophobicContact SD-CD1 4.41Å; M764-L829 HydrophobicContact SD-CG 4.25Å; M764-L829 VanDerWaalsContact SD-O 3.37Å; M764-F830 HydrophobicContact SD-CD1 4.05Å; M764-F830 HydrophobicContact SD-CE1 4.49Å; M764-F834 HydrophobicContact CE-CE2 3.81Å; M764-F834 HydrophobicContact CE-CZ 4.32Å; M764-F834 HydrophobicContact CG-CD2 3.55Å; M764-F834 HydrophobicContact CG-CE2 3.48Å; M764-F834 VanDerWaalsContact CG-CE2 3.48Å; M764-F834 HydrophobicContact SD-CE2 3.87Å |
| 765 | I | 92.5 | Very high | 89.8 | Confident | 64 Ų | 64 | 52.4 Ų | 52.4 | 33% | 0.328 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -102.7 | 173.4 | -177.1 | 61.2 | 178.2 | 0 | 0 | 0 | 110.8 | V762 R767 R769 A770 | V762-I765 WeakPolarHBondContact O-CG1 3.3Å; I765-R767 PolarHBondContact O-N 3.06Å; I765-R769 HydrophobicContact CD1-CB 3.75Å; I765-R769 HydrophobicContact CG1-CB 4.25Å; I765-A770 HydrophobicContact CG1-CB 4.09Å |
| 766 | N | 94.5 | Very high | 91.1 | Very high | 52 Ų | 52 | 47.3 Ų | 47.3 | 28% | 0.278 | 25% | 0.253 | S | S | . | . | trans | -48.8 | 139.4 | 170.7 | 164.9 | -85.1 | 0 | 0 | 0 | 110.6 | R615 D768 R769 A770 | R615-N766 PolarHBondContact O-ND2 2.94Å; N766-D768 VanDerWaalsContact C-N 3.32Å; N766-D768 PolarHBondContact O-N 3.23Å; N766-D768 WeakPolarHBondContact OD1-CB 3.34Å; N766-D768 PolarHBondContact OD1-N 2.95Å; N766-D768 VanDerWaalsContact OD1-N 3.07Å; N766-R769 HydrophobicContact CB-CG 4.31Å; N766-R769 WeakPolarHBondContact O-CB 3.46Å; N766-R769 PolarHBondContact O-N 3.14Å; N766-R769 VanDerWaalsContact O-N 3.08Å; N766-R769 PolarHBondContact OD1-N 3.44Å; N766-A770 PolarHBondContact O-N 3.04Å | ||
| 767 | R | 95.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.4 | -32.8 | -168.3 | -52.8 | -52.6 | -65.9 | 148.4 | 2.6 | 113.1 | R615 L616 D696 I765 A770 A771 E835 | R615-R767 VanDerWaalsContact NH2-CB 3.28Å; R615-R767 PolarHBondContact O-N 3.44Å; L616-R767 WeakPolarHBondContact O-CD 3.26Å; L616-R767 VanDerWaalsContact O-CG 3.28Å; L616-R767 WeakPolarHBondContact O-CG 3.48Å; D696-R767 IonicContact OD1-NE 2.81Å; D696-R767 IonicContact OD2-CZ 2.79Å; D696-R767 IonicContact OD2-NE 2.79Å; D696-R767 PolarHBondContact OD2-NE 2.86Å; D696-R767 IonicContact OD2-NH2 3.18Å; D696-R767 PolarHBondContact OD2-NH2 2.61Å; I765-R767 PolarHBondContact O-N 3.06Å; R767-A770 PolarHBondContact O-N 3.29Å; R767-A771 PolarHBondContact O-N 3Å; R767-E835 IonicContact CZ-OE1 3.92Å; R767-E835 VanDerWaalsContact CZ-OE1 3.3Å; R767-E835 IonicContact NH1-OE1 2.75Å; R767-E835 PolarHBondContact NH1-OE1 3.27Å; R767-E835 IonicContact NH2-OE1 3.74Å; R767-E835 PolarHBondContact NH2-OE1 2.99Å |
| 768 | D | 94.9 | Very high | 93 | Very high | 32 Ų | 32 | 42.6 Ų | 42.6 | 17% | 0.171 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.4 | -38.6 | 174.9 | -62.3 | -51.4 | 0 | 0 | 0 | 111.6 | R615 Y693 C694 N766 A771 L772 | R615-D768 IonicContact CZ-OD1 3.96Å; R615-D768 VanDerWaalsContact CZ-OD1 3.25Å; R615-D768 IonicContact CZ-OD2 3.66Å; R615-D768 IonicContact NE-OD1 3.69Å; R615-D768 PolarHBondContact NE-OD1 2.9Å; R615-D768 IonicContact NE-OD2 3.69Å; R615-D768 PolarHBondContact NE-OD2 3.01Å; R615-D768 VanDerWaalsContact NE-OD2 3.11Å; R615-D768 VanDerWaalsContact NH2-N 3.18Å; R615-D768 IonicContact NH2-OD1 2.86Å; R615-D768 PolarHBondContact NH2-OD1 3.35Å; R615-D768 IonicContact NH2-OD2 2.68Å; Y693-D768 HydrophobicContact CD2-CB 4.29Å; Y693-D768 HydrophobicContact CE2-CB 4.39Å; C694-D768 PolarHBondContact N-OD1 3.08Å; N766-D768 VanDerWaalsContact C-N 3.32Å; N766-D768 PolarHBondContact O-N 3.23Å; N766-D768 WeakPolarHBondContact OD1-CB 3.34Å; N766-D768 PolarHBondContact OD1-N 2.95Å; N766-D768 VanDerWaalsContact OD1-N 3.07Å; D768-A771 WeakPolarHBondContact O-CB 3.33Å; D768-A771 PolarHBondContact O-N 3.33Å; D768-L772 WeakPolarHBondContact O-CG 3.41Å; D768-L772 PolarHBondContact O-N 3.15Å; D768-L772 VanDerWaalsContact O-N 3.09Å |
| 769 | R | 95.8 | Very high | 93.6 | Very high | 177 Ų | 177 | 49.9 Ų | 49.9 | 67% | 0.668 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -66.7 | -38.4 | 173.8 | -62.9 | -174 | 179.3 | -176.6 | 0.2 | 111.8 | I765 N766 L772 A773 | I765-R769 HydrophobicContact CD1-CB 3.75Å; I765-R769 HydrophobicContact CG1-CB 4.25Å; N766-R769 HydrophobicContact CB-CG 4.31Å; N766-R769 WeakPolarHBondContact O-CB 3.46Å; N766-R769 PolarHBondContact O-N 3.14Å; N766-R769 VanDerWaalsContact O-N 3.08Å; N766-R769 PolarHBondContact OD1-N 3.44Å; R769-L772 PolarHBondContact O-N 2.58Å; R769-A773 WeakPolarHBondContact O-CB 3.29Å; R769-A773 PolarHBondContact O-N 3.3Å |
| 770 | A | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62 | -43.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | A691 V762 I765 N766 R767 L772 A773 Y774 | A691-A770 HydrophobicContact CB-CB 3.69Å; V762-A770 WeakPolarHBondContact O-CB 3.39Å; I765-A770 HydrophobicContact CG1-CB 4.09Å; N766-A770 PolarHBondContact O-N 3.04Å; R767-A770 PolarHBondContact O-N 3.29Å; A770-L772 PolarHBondContact O-N 3.06Å; A770-A773 WeakPolarHBondContact O-CB 3.37Å; A770-A773 PolarHBondContact O-N 3.45Å; A770-A773 VanDerWaalsContact O-N 3.15Å; A770-Y774 HydrophobicContact CB-CE2 4.38Å; A770-Y774 WeakPolarHBondContact O-CD2 3.47Å; A770-Y774 PolarHBondContact O-N 2.92Å |
| 771 | A | 95.6 | Very high | 94.2 | Very high | 14 Ų | 14 | 55.4 Ų | 55.4 | 12% | 0.116 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.8 | -46.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A691 R767 D768 A773 Y774 Q775 | A691-A771 HydrophobicContact CB-CB 4.3Å; R767-A771 PolarHBondContact O-N 3Å; D768-A771 WeakPolarHBondContact O-CB 3.33Å; D768-A771 PolarHBondContact O-N 3.33Å; A771-A773 VanDerWaalsContact C-N 3.35Å; A771-A773 PolarHBondContact O-N 3.22Å; A771-Y774 PolarHBondContact O-N 3.4Å; A771-Q775 PolarHBondContact O-N 3.41Å |
| 772 | L | 95.1 | Very high | 94.4 | Very high | 73 Ų | 73 | 58.4 Ų | 58.4 | 38% | 0.382 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.2 | -40.3 | 175.4 | -68.9 | 171.1 | 0 | 0 | 0 | 112.2 | F499 D768 R769 A770 Q775 S776 | F499-L772 HydrophobicContact CE2-CD2 4.05Å; F499-L772 HydrophobicContact CZ-CD2 3.82Å; D768-L772 WeakPolarHBondContact O-CG 3.41Å; D768-L772 PolarHBondContact O-N 3.15Å; D768-L772 VanDerWaalsContact O-N 3.09Å; R769-L772 PolarHBondContact O-N 2.58Å; A770-L772 PolarHBondContact O-N 3.06Å; L772-Q775 PolarHBondContact O-N 3.41Å; L772-S776 PolarHBondContact O-N 3.48Å; L772-S776 VanDerWaalsContact O-N 3.14Å |
| 773 | A | 94 | Very high | 94.4 | Very high | 26 Ų | 26 | 60.4 Ų | 60.4 | 22% | 0.215 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V762 R769 A770 A771 Q775 S776 L777 | V762-A773 HydrophobicContact CG1-CB 4.5Å; V762-A773 HydrophobicContact CG2-CB 3.51Å; R769-A773 WeakPolarHBondContact O-CB 3.29Å; R769-A773 PolarHBondContact O-N 3.3Å; A770-A773 WeakPolarHBondContact O-CB 3.37Å; A770-A773 PolarHBondContact O-N 3.45Å; A770-A773 VanDerWaalsContact O-N 3.15Å; A771-A773 VanDerWaalsContact C-N 3.35Å; A771-A773 PolarHBondContact O-N 3.22Å; A773-Q775 PolarHBondContact O-N 2.87Å; A773-S776 WeakPolarHBondContact O-CB 3.43Å; A773-S776 PolarHBondContact O-N 2.96Å; A773-L777 WeakPolarHBondContact O-CG 3.4Å; A773-L777 PolarHBondContact O-N 3.04Å |
| 774 | Y | 94.5 | Very high | 94.5 | Very high | 12 Ų | 12 | 65.2 Ų | 65.2 | 5% | 0.047 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.5 | -40 | 174.9 | -72.5 | -53.2 | 0 | 0 | 0 | 112.8 | A691 V762 T763 A770 A771 S776 L777 Q778 L787 W833 E835 | A691-Y774 HydrophobicContact CB-CD2 3.97Å; A691-Y774 HydrophobicContact CB-CE2 3.83Å; V762-Y774 HydrophobicContact CG1-CD1 4.06Å; V762-Y774 HydrophobicContact CG1-CD2 4.4Å; V762-Y774 HydrophobicContact CG1-CE1 3.46Å; V762-Y774 VanDerWaalsContact CG1-CE1 3.46Å; V762-Y774 HydrophobicContact CG1-CE2 3.87Å; V762-Y774 HydrophobicContact CG1-CG 4.49Å; T763-Y774 WeakPolarHBondContact CG2-OH 2.96Å; A770-Y774 HydrophobicContact CB-CE2 4.38Å; A770-Y774 WeakPolarHBondContact O-CD2 3.47Å; A770-Y774 PolarHBondContact O-N 2.92Å; A771-Y774 PolarHBondContact O-N 3.4Å; Y774-S776 PolarHBondContact O-N 3.01Å; Y774-L777 HydrophobicContact CD1-CD1 4.3Å; Y774-L777 PolarHBondContact O-N 3.5Å; Y774-Q778 WeakPolarHBondContact O-CB 3.42Å; Y774-Q778 VanDerWaalsContact O-CG 3.23Å; Y774-Q778 WeakPolarHBondContact O-CG 3.38Å; Y774-Q778 PolarHBondContact O-N 3.36Å; Y774-L787 HydrophobicContact CD1-CD1 4.15Å; Y774-L787 HydrophobicContact CD1-CD2 4.25Å; Y774-L787 HydrophobicContact CE1-CD2 3.96Å; Y774-W833 HydrophobicContact CE1-CH2 4.24Å; Y774-W833 HydrophobicContact CE1-CZ2 4.16Å; Y774-E835 WeakPolarHBondContact CE2-OE1 3.38Å; Y774-E835 WeakPolarHBondContact CE2-OE2 3.34Å; Y774-E835 VanDerWaalsContact CZ-OE2 3.32Å; Y774-E835 PolarHBondContact OH-OE1 3.46Å; Y774-E835 PolarHBondContact OH-OE2 3.2Å |
| 775 | Q | 93.5 | Very high | 94.7 | Very high | 85 Ų | 85 | 71.5 Ų | 71.5 | 40% | 0.397 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.8 | -38.6 | 175.3 | -168.2 | -176.3 | 11.2 | 0 | 0 | 111.4 | A771 L772 A773 | A771-Q775 PolarHBondContact O-N 3.41Å; L772-Q775 PolarHBondContact O-N 3.41Å; A773-Q775 PolarHBondContact O-N 2.87Å |
| 776 | S | 93.7 | Very high | 94.8 | Very high | 72 Ų | 72 | 71.2 Ų | 71.2 | 50% | 0.503 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -70 | -47.2 | 175.3 | -165.8 | 0 | 0 | 0 | 0 | 112.2 | L772 A773 Y774 Q778 R779 | L772-S776 PolarHBondContact O-N 3.48Å; L772-S776 VanDerWaalsContact O-N 3.14Å; A773-S776 WeakPolarHBondContact O-CB 3.43Å; A773-S776 PolarHBondContact O-N 2.96Å; Y774-S776 PolarHBondContact O-N 3.01Å; S776-Q778 PolarHBondContact O-N 3.38Å; S776-R779 WeakPolarHBondContact O-CB 3.17Å; S776-R779 PolarHBondContact O-N 3.26Å |
| 777 | L | 92.6 | Very high | 94.8 | Very high | 37 Ų | 37 | 69.8 Ų | 69.8 | 19% | 0.194 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.9 | -40.5 | -179.3 | -72.3 | 168.1 | 0 | 0 | 0 | 112.6 | I759 V762 A773 Y774 R779 D780 N783 L787 | I759-L777 HydrophobicContact CD1-CD1 3.76Å; I759-L777 HydrophobicContact CD1-CD2 3.78Å; I759-L777 HydrophobicContact CD1-CG 4.45Å; V762-L777 HydrophobicContact CG2-CD1 4.33Å; A773-L777 WeakPolarHBondContact O-CG 3.4Å; A773-L777 PolarHBondContact O-N 3.04Å; Y774-L777 HydrophobicContact CD1-CD1 4.3Å; Y774-L777 PolarHBondContact O-N 3.5Å; L777-R779 PolarHBondContact O-N 3.18Å; L777-D780 PolarHBondContact O-N 3.42Å; L777-N783 WeakPolarHBondContact O-CB 3.49Å; L777-N783 PolarHBondContact O-ND2 3.25Å; L777-L787 HydrophobicContact CB-CD1 4.08Å |
| 778 | Q | 93.1 | Very high | 94.7 | Very high | 80 Ų | 80 | 73.5 Ų | 73.5 | 37% | 0.374 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -4.7 | -177.7 | -70.6 | 177.4 | 15 | 0 | 0 | 114.3 | Y774 S776 D780 L787 | Y774-Q778 WeakPolarHBondContact O-CB 3.42Å; Y774-Q778 VanDerWaalsContact O-CG 3.23Å; Y774-Q778 WeakPolarHBondContact O-CG 3.38Å; Y774-Q778 PolarHBondContact O-N 3.36Å; S776-Q778 PolarHBondContact O-N 3.38Å; Q778-D780 VanDerWaalsContact C-N 3.26Å; Q778-L787 HydrophobicContact CG-CD1 3.8Å |
| 779 | R | 94.9 | Very high | 94.7 | Very high | 178 Ų | 178 | 72.9 Ų | 72.9 | 67% | 0.672 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -28.2 | 172 | -67.7 | 176.3 | 174.8 | 177.4 | -4.6 | 112.2 | D497 S776 L777 | D497-R779 IonicContact OD2-NH2 3.19Å; S776-R779 WeakPolarHBondContact O-CB 3.17Å; S776-R779 PolarHBondContact O-N 3.26Å; L777-R779 PolarHBondContact O-N 3.18Å |
| 780 | D | 96 | Very high | 94.6 | Very high | 74 Ų | 74 | 64.9 Ų | 64.9 | 40% | 0.396 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -90.2 | 131.6 | 172.3 | -179.8 | -87.3 | 0 | 0 | 0 | 110.5 | L777 Q778 T782 N783 K784 | L777-D780 PolarHBondContact O-N 3.42Å; Q778-D780 VanDerWaalsContact C-N 3.26Å; D780-T782 VanDerWaalsContact C-N 3.33Å; D780-T782 PolarHBondContact O-N 2.78Å; D780-T782 VanDerWaalsContact OD1-CA 3.31Å; D780-T782 WeakPolarHBondContact OD1-CA 3.38Å; D780-T782 WeakPolarHBondContact OD1-CB 3.16Å; D780-T782 PolarHBondContact OD1-N 3.05Å; D780-N783 HydrophobicContact CB-CB 4.1Å; D780-N783 PolarHBondContact O-N 3.17Å; D780-N783 PolarHBondContact OD1-N 2.99Å; D780-K784 WeakPolarHBondContact O-CB 3.48Å; D780-K784 PolarHBondContact O-N 3.31Å |
| 781 | E | 96.1 | Very high | 94.6 | Very high | 99 Ų | 99 | 66.8 Ų | 66.8 | 46% | 0.463 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -69.2 | -30.7 | -174.8 | -170.8 | 58.6 | -153.4 | 0 | 0 | 112.5 | R785 | E781-R785 WeakPolarHBondContact O-CG 3.47Å; E781-R785 PolarHBondContact O-N 2.82Å; E781-R785 IonicContact OE1-NE 2.64Å |
| 782 | T | 94.9 | Very high | 94.4 | Very high | 92 Ų | 92 | 72.3 Ų | 72.3 | 56% | 0.564 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -69.8 | -44.4 | 176.5 | -49.9 | 0 | 0 | 0 | 0 | 110.5 | D780 K784 R785 S786 | D780-T782 VanDerWaalsContact C-N 3.33Å; D780-T782 PolarHBondContact O-N 2.78Å; D780-T782 VanDerWaalsContact OD1-CA 3.31Å; D780-T782 WeakPolarHBondContact OD1-CA 3.38Å; D780-T782 WeakPolarHBondContact OD1-CB 3.16Å; D780-T782 PolarHBondContact OD1-N 3.05Å; T782-K784 VanDerWaalsContact C-N 3.34Å; T782-R785 PolarHBondContact O-N 3.1Å; T782-S786 WeakPolarHBondContact O-CB 3.47Å; T782-S786 PolarHBondContact O-N 3.41Å; T782-S786 PolarHBondContact O-OG 3.34Å |
| 783 | N | 93.9 | Very high | 94.4 | Very high | 65 Ų | 65 | 68.8 Ų | 68.8 | 35% | 0.348 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61 | -45.4 | 174.4 | -70.9 | -14.9 | 0 | 0 | 0 | 110.9 | L777 D780 R785 S786 L787 | L777-N783 WeakPolarHBondContact O-CB 3.49Å; L777-N783 PolarHBondContact O-ND2 3.25Å; D780-N783 HydrophobicContact CB-CB 4.1Å; D780-N783 PolarHBondContact O-N 3.17Å; D780-N783 PolarHBondContact OD1-N 2.99Å; N783-R785 VanDerWaalsContact C-N 3.34Å; N783-R785 PolarHBondContact O-N 3.44Å; N783-S786 PolarHBondContact O-N 3.17Å; N783-S786 VanDerWaalsContact O-N 3.15Å; N783-L787 WeakPolarHBondContact O-CB 3.32Å; N783-L787 VanDerWaalsContact O-CG 3.27Å; N783-L787 WeakPolarHBondContact O-CG 3.43Å; N783-L787 PolarHBondContact O-N 2.96Å |
| 784 | K | 95.2 | Very high | 94.4 | Very high | 102 Ų | 102 | 67.9 Ų | 67.9 | 44% | 0.443 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.6 | -45.2 | 177.8 | -172.1 | 178.6 | 179.4 | -177.4 | 0 | 112.2 | D780 T782 N788 | D780-K784 WeakPolarHBondContact O-CB 3.48Å; D780-K784 PolarHBondContact O-N 3.31Å; T782-K784 VanDerWaalsContact C-N 3.34Å; K784-N788 WeakPolarHBondContact O-CB 3.29Å; K784-N788 PolarHBondContact O-N 3.34Å |
| 785 | R | 95.9 | Very high | 94.5 | Very high | 167 Ų | 167 | 67.3 Ų | 67.3 | 63% | 0.63 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63.1 | -42.7 | 174.9 | -71.2 | 176.9 | -161.5 | 175.6 | 5.8 | 112.3 | E781 T782 N783 N788 A789 | E781-R785 WeakPolarHBondContact O-CG 3.47Å; E781-R785 PolarHBondContact O-N 2.82Å; E781-R785 IonicContact OE1-NE 2.64Å; T782-R785 PolarHBondContact O-N 3.1Å; N783-R785 VanDerWaalsContact C-N 3.34Å; N783-R785 PolarHBondContact O-N 3.44Å; R785-N788 PolarHBondContact O-N 3.47Å; R785-A789 PolarHBondContact O-N 2.95Å |
| 786 | S | 94.7 | Very high | 94.8 | Very high | 58 Ų | 58 | 63.3 Ų | 63.3 | 41% | 0.406 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.6 | -47 | 179.9 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | T782 N783 N788 A789 I790 | T782-S786 WeakPolarHBondContact O-CB 3.47Å; T782-S786 PolarHBondContact O-N 3.41Å; T782-S786 PolarHBondContact O-OG 3.34Å; N783-S786 PolarHBondContact O-N 3.17Å; N783-S786 VanDerWaalsContact O-N 3.15Å; S786-N788 VanDerWaalsContact C-N 3.34Å; S786-N788 PolarHBondContact O-N 3.44Å; S786-A789 WeakPolarHBondContact O-CB 3.39Å; S786-A789 PolarHBondContact O-N 2.94Å; S786-A789 VanDerWaalsContact O-N 3.16Å; S786-I790 WeakPolarHBondContact O-CG1 3.33Å; S786-I790 PolarHBondContact O-N 3.38Å |
| 787 | L | 94.8 | Very high | 95 | Very high | 22 Ų | 22 | 59.9 Ų | 59.9 | 12% | 0.115 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 175.3 | -69.6 | 173.6 | 0 | 0 | 0 | 111.6 | Y774 L777 Q778 N783 A789 I790 K791 W833 | Y774-L787 HydrophobicContact CD1-CD1 4.15Å; Y774-L787 HydrophobicContact CD1-CD2 4.25Å; Y774-L787 HydrophobicContact CE1-CD2 3.96Å; L777-L787 HydrophobicContact CB-CD1 4.08Å; Q778-L787 HydrophobicContact CG-CD1 3.8Å; N783-L787 WeakPolarHBondContact O-CB 3.32Å; N783-L787 VanDerWaalsContact O-CG 3.27Å; N783-L787 WeakPolarHBondContact O-CG 3.43Å; N783-L787 PolarHBondContact O-N 2.96Å; L787-A789 VanDerWaalsContact C-N 3.31Å; L787-A789 PolarHBondContact O-N 2.94Å; L787-I790 PolarHBondContact O-N 3.17Å; L787-K791 WeakPolarHBondContact O-CB 3.34Å; L787-K791 PolarHBondContact O-N 3.39Å; L787-W833 HydrophobicContact CD2-CH2 3.43Å; L787-W833 VanDerWaalsContact CD2-CH2 3.43Å; L787-W833 HydrophobicContact CD2-CZ2 3.89Å |
| 788 | N | 94.1 | Very high | 95.2 | Very high | 78 Ų | 78 | 58.1 Ų | 58.1 | 42% | 0.417 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.3 | -36 | 176.4 | -171.6 | 49.5 | 0 | 0 | 0 | 112.2 | K784 R785 S786 K791 R792 | K784-N788 WeakPolarHBondContact O-CB 3.29Å; K784-N788 PolarHBondContact O-N 3.34Å; R785-N788 PolarHBondContact O-N 3.47Å; S786-N788 VanDerWaalsContact C-N 3.34Å; S786-N788 PolarHBondContact O-N 3.44Å; N788-K791 PolarHBondContact O-N 3.21Å; N788-R792 WeakPolarHBondContact O-CB 3.26Å; N788-R792 VanDerWaalsContact O-CG 3.32Å; N788-R792 WeakPolarHBondContact O-CG 3.41Å; N788-R792 PolarHBondContact O-N 2.94Å |
| 789 | A | 94.2 | Very high | 95.3 | Very high | 19 Ų | 19 | 54.5 Ų | 54.5 | 16% | 0.157 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.8 | -41.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | H711 I722 R785 S786 L787 C793 | H711-A789 PolarHBondContact NE2-O 3.08Å; I722-A789 HydrophobicContact CD1-CB 3.73Å; I722-A789 HydrophobicContact CG1-CB 4.34Å; R785-A789 PolarHBondContact O-N 2.95Å; S786-A789 WeakPolarHBondContact O-CB 3.39Å; S786-A789 PolarHBondContact O-N 2.94Å; S786-A789 VanDerWaalsContact O-N 3.16Å; L787-A789 VanDerWaalsContact C-N 3.31Å; L787-A789 PolarHBondContact O-N 2.94Å; A789-C793 PolarHBondContact O-N 3.41Å; A789-C793 VanDerWaalsContact O-N 3.14Å |
| 790 | I | 94.9 | Very high | 95.2 | Very high | 9 Ų | 9 | 46 Ų | 46 | 5% | 0.046 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.6 | -43.3 | 175.7 | -60.9 | 168.9 | 0 | 0 | 0 | 110.5 | T713 P720 S786 L787 R792 C793 W833 | T713-I790 HydrophobicContact CG2-CG1 4.16Å; P720-I790 HydrophobicContact CB-CD1 3.94Å; P720-I790 HydrophobicContact CB-CG1 4.33Å; P720-I790 HydrophobicContact CG-CD1 4.06Å; S786-I790 WeakPolarHBondContact O-CG1 3.33Å; S786-I790 PolarHBondContact O-N 3.38Å; L787-I790 PolarHBondContact O-N 3.17Å; I790-R792 PolarHBondContact O-N 2.84Å; I790-C793 PolarHBondContact O-N 2.89Å; I790-C793 PolarHBondContact O-SG 2.94Å; I790-W833 HydrophobicContact CD1-CD2 4.37Å; I790-W833 HydrophobicContact CD1-CE3 3.97Å; I790-W833 HydrophobicContact CD1-CH2 3.96Å; I790-W833 HydrophobicContact CD1-CZ2 4.33Å; I790-W833 HydrophobicContact CD1-CZ3 3.75Å; I790-W833 HydrophobicContact CG2-CD2 3.56Å; I790-W833 HydrophobicContact CG2-CE3 4.22Å; I790-W833 HydrophobicContact CG2-CG 3.68Å; I790-W833 HydrophobicContact CG2-CZ2 4.14Å |
| 791 | K | 93.9 | Very high | 94.9 | Very high | 40 Ų | 40 | 47.7 Ų | 47.7 | 17% | 0.174 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.6 | -47.5 | 177.4 | -178.4 | 175.5 | -178.9 | 174.5 | 0 | 112.7 | Y688 E699 L787 N788 K836 | Y688-K791 HydrophobicContact CD1-CD 4.3Å; Y688-K791 HydrophobicContact CD1-CG 3.86Å; Y688-K791 HydrophobicContact CD2-CB 4.2Å; Y688-K791 HydrophobicContact CD2-CG 3.96Å; Y688-K791 HydrophobicContact CE1-CG 4.22Å; Y688-K791 HydrophobicContact CE2-CB 4.17Å; Y688-K791 HydrophobicContact CE2-CG 4.29Å; Y688-K791 HydrophobicContact CG-CB 4.45Å; Y688-K791 HydrophobicContact CG-CG 3.73Å; E699-K791 IonicContact OE1-NZ 3.71Å; E699-K791 PolarHBondContact OE1-NZ 3.22Å; E699-K791 WeakPolarHBondContact OE2-CE 3.28Å; E699-K791 IonicContact OE2-NZ 3.84Å; E699-K791 PolarHBondContact OE2-NZ 3.37Å; L787-K791 WeakPolarHBondContact O-CB 3.34Å; L787-K791 PolarHBondContact O-N 3.39Å; N788-K791 PolarHBondContact O-N 3.21Å; K791-K836 PolarHBondContact O-NZ 3.09Å |
| 792 | R | 92.6 | Very high | 94.2 | Very high | 130 Ų | 130 | 44.8 Ų | 44.8 | 49% | 0.491 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -81.6 | -7.1 | -177.1 | -66.3 | -179.3 | 75.5 | 121.2 | -0.8 | 114.9 | N788 I790 | N788-R792 WeakPolarHBondContact O-CB 3.26Å; N788-R792 VanDerWaalsContact O-CG 3.32Å; N788-R792 WeakPolarHBondContact O-CG 3.41Å; N788-R792 PolarHBondContact O-N 2.94Å; I790-R792 PolarHBondContact O-N 2.84Å |
| 793 | C | 95 | Very high | 93.3 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -63.4 | 154.3 | 177.4 | 80 | 0 | 0 | 0 | 0 | 110.7 | H711 T713 A789 I790 F795 K836 | H711-C793 WeakPolarHBondContact NE2-CA 3.45Å; H711-C793 WeakPolarHBondContact NE2-CB 3.26Å; H711-C793 WeakPolarHBondContact O-CA 3.34Å; T713-C793 WeakPolarHBondContact OG1-CB 3.5Å; T713-C793 PolarHBondContact OG1-SG 3.24Å; A789-C793 PolarHBondContact O-N 3.41Å; A789-C793 VanDerWaalsContact O-N 3.14Å; I790-C793 PolarHBondContact O-N 2.89Å; I790-C793 PolarHBondContact O-SG 2.94Å; C793-F795 PolarHBondContact SG-O 3.02Å; C793-F795 VanDerWaalsContact SG-O 3.41Å; C793-K836 WeakPolarHBondContact O-CE 3.3Å; C793-K836 PolarHBondContact O-NZ 3.15Å |
| 794 | T | 94.6 | Very high | 91.6 | Very high | 7 Ų | 7 | 42 Ų | 42 | 4% | 0.043 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -68.2 | -44.2 | 179 | -48 | 0 | 0 | 0 | 0 | 111.1 | F651 K654 F685 E710 H711 K836 | F651-T794 HydrophobicContact CE1-CG2 4.16Å; F651-T794 HydrophobicContact CZ-CG2 4.05Å; F651-T794 WeakPolarHBondContact CZ-OG1 3.42Å; K654-T794 HydrophobicContact CD-CG2 3.37Å; F685-T794 HydrophobicContact CB-CG2 3.91Å; F685-T794 HydrophobicContact CD1-CG2 3.89Å; F685-T794 HydrophobicContact CG-CG2 4.04Å; E710-T794 PolarHBondContact OE2-OG1 3.27Å; H711-T794 PolarHBondContact O-N 3.43Å; H711-T794 PolarHBondContact O-OG1 3.36Å; T794-K836 WeakPolarHBondContact O-CE 3.41Å |
| 795 | F | 96.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -160.3 | 168.4 | 174.7 | 54.1 | -96.7 | 0 | 0 | 0 | 110.1 | I647 V650 F651 F685 A712 T713 C793 V797 F838 F840 | I647-F795 HydrophobicContact CB-CZ 4.5Å; I647-F795 HydrophobicContact CG1-CE2 4.31Å; I647-F795 HydrophobicContact CG2-CZ 4.07Å; V650-F795 HydrophobicContact CB-CE1 3.78Å; V650-F795 HydrophobicContact CB-CZ 3.88Å; V650-F795 HydrophobicContact CG1-CD1 3.61Å; V650-F795 HydrophobicContact CG1-CE1 3.29Å; V650-F795 HydrophobicContact CG1-CG 4.42Å; V650-F795 HydrophobicContact CG1-CZ 3.86Å; V650-F795 HydrophobicContact CG2-CZ 4.49Å; F651-F795 AromaticContact CD2-CE1 3.61Å; F651-F795 HydrophobicContact CD2-CE1 3.61Å; F651-F795 AromaticContact CD2-CZ 3.77Å; F651-F795 HydrophobicContact CD2-CZ 3.77Å; F651-F795 HydrophobicContact CE2-CD1 4.42Å; F651-F795 AromaticContact CE2-CE1 3.39Å; F651-F795 HydrophobicContact CE2-CE1 3.39Å; F651-F795 AromaticContact CE2-CZ 3.6Å; F651-F795 HydrophobicContact CE2-CZ 3.6Å; F651-F795 HydrophobicContact CZ-CE1 4.21Å; F685-F795 HydrophobicContact CD1-CD1 4.32Å; F685-F795 HydrophobicContact CE1-CD1 4.15Å; A712-F795 WeakPolarHBondContact CA-O 3.43Å; A712-F795 HydrophobicContact CB-CD2 4.26Å; A712-F795 HydrophobicContact CB-CE2 3.99Å; A712-F795 HydrophobicContact CB-CZ 4.35Å; T713-F795 PolarHBondContact N-O 3.27Å; T713-F795 VanDerWaalsContact N-O 3.09Å; C793-F795 PolarHBondContact SG-O 3.02Å; C793-F795 VanDerWaalsContact SG-O 3.41Å; F795-V797 HydrophobicContact CD2-CG2 3.74Å; F795-V797 HydrophobicContact CE2-CG2 3.46Å; F795-V797 VanDerWaalsContact CE2-CG2 3.46Å; F795-F838 HydrophobicContact CB-CB 4.16Å; F795-F840 HydrophobicContact CB-CD2 4.27Å; F795-F840 HydrophobicContact CB-CE2 3.91Å; F795-F840 HydrophobicContact CD1-CE2 4.21Å; F795-F840 AromaticContact CD2-CD2 3.51Å; F795-F840 HydrophobicContact CD2-CD2 3.51Å; F795-F840 AromaticContact CD2-CE2 3.73Å; F795-F840 HydrophobicContact CD2-CE2 3.73Å; F795-F840 AromaticContact CE2-CD2 3.98Å; F795-F840 HydrophobicContact CE2-CD2 3.98Å; F795-F840 HydrophobicContact CE2-CE2 4.25Å; F795-F840 AromaticContact CG-CD2 3.96Å; F795-F840 HydrophobicContact CG-CD2 3.96Å; F795-F840 AromaticContact CG-CE2 3.69Å; F795-F840 HydrophobicContact CG-CE2 3.69Å | ||
| 796 | V | 98 | Very high | 87.6 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 141.8 | 175.3 | 175.4 | 0 | 0 | 0 | 0 | 109.8 | T713 M715 W833 K836 F838 Q839 F840 | T713-V796 CarbonylContact O-C 3.57Å; T713-V796 VanDerWaalsContact O-CA 3.27Å; T713-V796 WeakPolarHBondContact O-CA 3.36Å; M715-V796 HydrophobicContact CB-CG1 4.47Å; M715-V796 HydrophobicContact CG-CG1 3.63Å; V796-W833 HydrophobicContact CG2-CB 4.15Å; V796-K836 HydrophobicContact CG2-CB 3.95Å; V796-K836 HydrophobicContact CG2-CG 4.07Å; V796-F838 PolarHBondContact N-O 3.25Å; V796-Q839 HydrophobicContact CB-CB 4.25Å; V796-Q839 HydrophobicContact CB-CG 3.96Å; V796-Q839 HydrophobicContact CG1-CB 4.48Å; V796-Q839 HydrophobicContact CG1-CG 4.33Å; V796-Q839 HydrophobicContact CG2-CG 4.49Å; V796-Q839 CarbonylContact O-C 3.53Å; V796-Q839 WeakPolarHBondContact O-CA 3.29Å; V796-F840 PolarHBondContact O-N 2.83Å |
| 797 | V | 98 | Very high | 85.8 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 120.6 | 171.8 | -178.7 | 0 | 0 | 0 | 0 | 108.4 | V643 I647 T713 V714 M715 F795 L799 F840 L842 | V643-V797 HydrophobicContact CG1-CG1 4.17Å; I647-V797 HydrophobicContact CD1-CG2 4.05Å; I647-V797 HydrophobicContact CG1-CG2 3.95Å; T713-V797 PolarHBondContact O-N 3.31Å; V714-V797 CarbonylContact C-O 3.5Å; V714-V797 VanDerWaalsContact CA-O 3.3Å; V714-V797 WeakPolarHBondContact CA-O 3.41Å; V714-V797 HydrophobicContact CG2-CB 4.48Å; M715-V797 PolarHBondContact N-O 3.42Å; F795-V797 HydrophobicContact CD2-CG2 3.74Å; F795-V797 HydrophobicContact CE2-CG2 3.46Å; F795-V797 VanDerWaalsContact CE2-CG2 3.46Å; V797-L799 HydrophobicContact CG1-CD2 3.96Å; V797-F840 CarbonylContact C-O 3.39Å; V797-F840 WeakPolarHBondContact CA-O 3.35Å; V797-L842 HydrophobicContact CG1-CD1 3.81Å |
| 798 | C | 97.1 | Very high | 84.2 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 115.6 | 178.4 | -49.7 | 0 | 0 | 0 | 0 | 109.1 | M715 N831 F840 I841 L842 | M715-C798 HydrophobicContact CB-CB 4.47Å; C798-N831 PolarHBondContact SG-O 3.5Å; C798-F840 PolarHBondContact N-O 3.46Å; C798-I841 HydrophobicContact CB-CB 4.46Å; C798-I841 HydrophobicContact CB-CG1 4.03Å; C798-L842 PolarHBondContact O-N 2.83Å |
| 799 | L | 96 | Very high | 82.9 | Confident | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 99.3 | 173 | -52.4 | -178.7 | 0 | 0 | 0 | 108.4 | Y639 V643 V714 M715 C716 L741 V745 V797 N831 | Y639-L799 HydrophobicContact CE1-CD2 4.34Å; Y639-L799 WeakPolarHBondContact OH-CD2 2.97Å; V643-L799 HydrophobicContact CG1-CD2 3.92Å; V643-L799 HydrophobicContact CG2-CD2 4.19Å; V714-L799 HydrophobicContact CG1-CD1 3.64Å; V714-L799 HydrophobicContact CG1-CG 3.78Å; M715-L799 PolarHBondContact O-N 3.03Å; C716-L799 HydrophobicContact CB-CB 4.5Å; L741-L799 HydrophobicContact CD2-CD1 4.13Å; V745-L799 HydrophobicContact CG2-CD1 3.88Å; V797-L799 HydrophobicContact CG1-CD2 3.96Å; L799-N831 PolarHBondContact O-ND2 2.86Å |
| 800 | D | 93.4 | Very high | 82.1 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 153 | -171 | -83.9 | 12.4 | 0 | 0 | 0 | 112.6 | H818 S828 N831 R832 L842 T843 Y844 | D800-H818 IonicContact OD2-CD2 3.9Å; D800-H818 IonicContact OD2-CE1 2.87Å; D800-H818 IonicContact OD2-NE2 3.82Å; D800-H818 PolarHBondContact OD2-NE2 3.27Å; D800-S828 WeakPolarHBondContact OD1-CB 3.4Å; D800-S828 WeakPolarHBondContact OD2-CB 3.09Å; D800-N831 PolarHBondContact OD1-ND2 3.41Å; D800-R832 VanDerWaalsContact CG-NH1 3.26Å; D800-R832 IonicContact OD1-CZ 3.35Å; D800-R832 IonicContact OD1-NH1 3.42Å; D800-R832 PolarHBondContact OD1-NH1 2.9Å; D800-R832 IonicContact OD2-CZ 3.47Å; D800-R832 IonicContact OD2-NH1 2.73Å; D800-R832 PolarHBondContact OD2-NH1 3.11Å; D800-R832 IonicContact OD2-NH2 3.69Å; D800-R832 PolarHBondContact OD2-NH2 3.44Å; D800-L842 PolarHBondContact N-O 3Å; D800-T843 HydrophobicContact CB-CG2 3.9Å; D800-T843 WeakPolarHBondContact O-CA 3.4Å; D800-Y844 PolarHBondContact O-N 3.49Å; D800-Y844 VanDerWaalsContact O-N 3.07Å |
| 801 | E | 88.2 | Confident | 81.2 | Confident | 108 Ų | 108 | 58.4 Ų | 58.4 | 51% | 0.505 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 166 | 171.9 | -63.7 | -164.4 | -179.6 | 0 | 0 | 111.4 | Y844 | E801-Y844 HydrophobicContact CG-CE2 4.35Š|
| 802 | A | 81.6 | Confident | 80.3 | Confident | 39 Ų | 39 | 58.1 Ų | 58.1 | 32% | 0.322 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 140.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S804 D845 | A802-S804 PolarHBondContact O-N 2.78Å; A802-D845 WeakPolarHBondContact CA-OD1 3.48Å; A802-D845 HydrophobicContact CB-CB 3.81Å |
| 803 | M | 75.5 | Confident | 79.7 | Confident | 3 Ų | 3 | 56.1 Ų | 56.1 | 2% | 0.015 | 29% | 0.293 | C | S | . | . | trans | -76.6 | 55.9 | 176.3 | -60.3 | 174.6 | -75.3 | 0 | 0 | 110.9 | G805 R814 H818 T843 D845 | M803-G805 PolarHBondContact O-N 3.14Å; M803-R814 VanDerWaalsContact O-CZ 3.27Å; M803-R814 PolarHBondContact O-NH1 3.14Å; M803-H818 HydrophobicContact CG-CB 4.36Å; M803-H818 HydrophobicContact SD-CB 3.74Å; M803-T843 HydrophobicContact CE-CG2 4.21Å; M803-T843 HydrophobicContact CG-CG2 4.09Å; M803-T843 HydrophobicContact SD-CG2 4.25Å; M803-D845 PolarHBondContact N-OD1 3.24Å; M803-D845 PolarHBondContact N-OD2 3.29Å | ||
| 804 | S | 58.2 | Low | 79.1 | Confident | 95 Ų | 95 | 59.5 Ų | 59.5 | 66% | 0.664 | 31% | 0.306 | S | S | * | . | trans | -86.2 | 93.6 | -176.5 | 67.3 | 0 | 0 | 0 | 0 | 111.5 | A802 | A802-S804 PolarHBondContact O-N 2.78Š| ||
| 805 | G | 55.3 | Low | 78.6 | Confident | 23 Ų | 23 | 59.3 Ų | 59.3 | 24% | 0.237 | 31% | 0.305 | C | S | . | . | trans | -154.6 | 141.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | M803 E807 Y827 | M803-G805 PolarHBondContact O-N 3.14Å; G805-E807 VanDerWaalsContact C-N 3.26Å; G805-E807 PolarHBondContact O-N 2.95Å; G805-Y827 VanDerWaalsContact CA-OH 3.3Å; G805-Y827 WeakPolarHBondContact CA-OH 3.28Å | ||
| 806 | K | 53 | Low | 78.1 | Confident | 214 Ų | 214 | 59.3 Ų | 59.3 | 93% | 0.93 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -82 | 8.2 | 176.6 | -71.2 | -174.1 | 177 | -179.7 | 0 | 113.9 | ||
| 807 | E | 57.5 | Low | 77.5 | Confident | 140 Ų | 140 | 62 Ų | 62 | 65% | 0.654 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -74.3 | -29.3 | -165.3 | -66 | -175.5 | 178.5 | 0 | 0 | 113.4 | G805 | G805-E807 VanDerWaalsContact C-N 3.26Å; G805-E807 PolarHBondContact O-N 2.95Å |
| 808 | T | 60.7 | Low | 77.2 | Confident | 43 Ų | 43 | 62.2 Ų | 62.2 | 26% | 0.264 | 32% | 0.322 | S | S | . | . | trans | -125 | 135.7 | 174.1 | 57.2 | 0 | 0 | 0 | 0 | 110.4 | D810 E813 R814 | T808-D810 VanDerWaalsContact C-N 3.33Å; T808-E813 HydrophobicContact CG2-CG 4.47Å; T808-R814 WeakPolarHBondContact OG1-CB 3.48Å | ||
| 809 | K | 66.3 | Low | 76.8 | Confident | 218 Ų | 218 | 62.2 Ų | 62.2 | 95% | 0.948 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -75.8 | -24.2 | 178.7 | -75.3 | -174.9 | 179 | 178.9 | 0 | 112.3 | P811 | K809-P811 WeakPolarHBondContact O-CD 3.06Š|
| 810 | D | 77.1 | Confident | 76.6 | Confident | 80 Ų | 80 | 62.4 Ų | 62.4 | 43% | 0.428 | 32% | 0.323 | S | S | . | . | trans | -93 | 115.4 | -178.7 | -169.7 | -19.4 | 0 | 0 | 0 | 110.8 | T808 L812 E813 R814 | T808-D810 VanDerWaalsContact C-N 3.33Å; D810-L812 PolarHBondContact O-N 3Å; D810-L812 VanDerWaalsContact OD1-CB 3.25Å; D810-L812 WeakPolarHBondContact OD1-CB 3.24Å; D810-L812 PolarHBondContact OD1-N 3.48Å; D810-E813 HydrophobicContact CB-CB 4.01Å; D810-E813 PolarHBondContact O-N 3.43Å; D810-R814 PolarHBondContact O-N 2.93Å; D810-R814 VanDerWaalsContact O-N 3.17Å | ||
| 811 | P | 75.5 | Confident | 76.4 | Confident | 82 Ų | 82 | 63.8 Ų | 63.8 | 53% | 0.532 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57.5 | -30.7 | 176 | -23 | 33.7 | 0 | 0 | 0 | 113.9 | K809 S815 | K809-P811 WeakPolarHBondContact O-CD 3.06Å; P811-S815 PolarHBondContact O-N 3.44Å |
| 812 | L | 76.2 | Confident | 76.4 | Confident | 34 Ų | 34 | 58.7 Ų | 58.7 | 18% | 0.178 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -75.1 | -45.4 | -175.7 | -164.8 | 70.7 | 0 | 0 | 0 | 111.4 | D810 R814 S815 L816 D1014 V1016 L1039 | D810-L812 PolarHBondContact O-N 3Å; D810-L812 VanDerWaalsContact OD1-CB 3.25Å; D810-L812 WeakPolarHBondContact OD1-CB 3.24Å; D810-L812 PolarHBondContact OD1-N 3.48Å; L812-R814 VanDerWaalsContact C-N 3.27Å; L812-R814 PolarHBondContact O-N 3.09Å; L812-S815 PolarHBondContact O-N 3.02Å; L812-L816 WeakPolarHBondContact O-CB 3.33Å; L812-L816 PolarHBondContact O-N 3.35Å; L812-D1014 HydrophobicContact CD1-CB 3.98Å; L812-D1014 WeakPolarHBondContact CD1-O 3.49Å; L812-D1014 HydrophobicContact CD2-CB 4.06Å; L812-V1016 HydrophobicContact CD1-CG2 4Å; L812-V1016 HydrophobicContact CD2-CG2 3.21Å; L812-V1016 HydrophobicContact CG-CG2 3.57Å; L812-L1039 HydrophobicContact CD2-CD2 4.34Å |
| 813 | E | 80.7 | Confident | 76.5 | Confident | 88 Ų | 88 | 57.8 Ų | 57.8 | 41% | 0.411 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -55.8 | -46.9 | 171 | -176.3 | -170.7 | 166.1 | 0 | 0 | 109.9 | T808 D810 S815 L816 V817 | T808-E813 HydrophobicContact CG2-CG 4.47Å; D810-E813 HydrophobicContact CB-CB 4.01Å; D810-E813 PolarHBondContact O-N 3.43Å; E813-S815 PolarHBondContact O-N 3.44Å; E813-L816 PolarHBondContact O-N 3.19Å; E813-V817 HydrophobicContact CG-CG2 4.36Å; E813-V817 WeakPolarHBondContact O-CB 3.39Å; E813-V817 VanDerWaalsContact O-CG2 3.29Å; E813-V817 WeakPolarHBondContact O-CG2 3.38Å; E813-V817 PolarHBondContact O-N 3.3Å |
| 814 | R | 82.1 | Confident | 76.6 | Confident | 70 Ų | 70 | 58.4 Ų | 58.4 | 26% | 0.264 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.8 | -50.8 | 179 | -167.6 | 178.3 | 61.9 | 173.5 | 5.6 | 112.1 | M803 T808 D810 L812 L816 V817 H818 | M803-R814 VanDerWaalsContact O-CZ 3.27Å; M803-R814 PolarHBondContact O-NH1 3.14Å; T808-R814 WeakPolarHBondContact OG1-CB 3.48Å; D810-R814 PolarHBondContact O-N 2.93Å; D810-R814 VanDerWaalsContact O-N 3.17Å; L812-R814 VanDerWaalsContact C-N 3.27Å; L812-R814 PolarHBondContact O-N 3.09Å; R814-L816 VanDerWaalsContact C-N 3.32Å; R814-L816 PolarHBondContact O-N 2.85Å; R814-V817 PolarHBondContact O-N 3.23Å; R814-H818 WeakPolarHBondContact O-CB 3.2Å; R814-H818 PolarHBondContact O-N 3.27Å |
| 815 | S | 83.5 | Confident | 77.4 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.2 | -47.1 | 177.9 | -85.9 | 0 | 0 | 0 | 0 | 110.7 | N630 P811 L812 E813 H818 M819 | N630-S815 PolarHBondContact OD1-OG 3.25Å; P811-S815 PolarHBondContact O-N 3.44Å; L812-S815 PolarHBondContact O-N 3.02Å; E813-S815 PolarHBondContact O-N 3.44Å; S815-H818 WeakPolarHBondContact O-CB 3.34Å; S815-H818 PolarHBondContact O-N 3.03Å; S815-M819 VanDerWaalsContact O-CG 3.27Å; S815-M819 WeakPolarHBondContact O-CG 3.37Å; S815-M819 PolarHBondContact O-N 3.43Å |
| 816 | L | 85.3 | Confident | 78.3 | Confident | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.5 | -43 | -177 | -174.8 | 54.1 | 0 | 0 | 0 | 112.9 | G625 A627 L812 E813 R814 H818 M819 I820 V1016 F1041 | G625-L816 WeakPolarHBondContact O-CD1 3.42Å; A627-L816 HydrophobicContact CB-CB 4.35Å; A627-L816 HydrophobicContact CB-CD1 4.43Å; L812-L816 WeakPolarHBondContact O-CB 3.33Å; L812-L816 PolarHBondContact O-N 3.35Å; E813-L816 PolarHBondContact O-N 3.19Å; R814-L816 VanDerWaalsContact C-N 3.32Å; R814-L816 PolarHBondContact O-N 2.85Å; L816-H818 PolarHBondContact O-N 3.49Å; L816-M819 PolarHBondContact O-N 3.18Å; L816-M819 VanDerWaalsContact O-N 3.12Å; L816-I820 HydrophobicContact CD1-CD1 4.29Å; L816-I820 HydrophobicContact CD1-CG1 4.46Å; L816-I820 HydrophobicContact CG-CD1 4.15Å; L816-I820 WeakPolarHBondContact O-CG1 3.32Å; L816-I820 PolarHBondContact O-N 2.75Å; L816-V1016 HydrophobicContact CD2-CB 3.8Å; L816-V1016 HydrophobicContact CD2-CG1 3.54Å; L816-F1041 HydrophobicContact CB-CE2 4.39Å; L816-F1041 HydrophobicContact CD2-CB 4.43Å; L816-F1041 HydrophobicContact CD2-CD1 4.24Å; L816-F1041 HydrophobicContact CD2-CD2 3.24Å; L816-F1041 HydrophobicContact CD2-CE1 4.31Å; L816-F1041 HydrophobicContact CD2-CE2 3.34Å; L816-F1041 HydrophobicContact CD2-CG 3.71Å; L816-F1041 HydrophobicContact CD2-CZ 3.89Å; L816-F1041 HydrophobicContact CG-CD2 4.3Å; L816-F1041 HydrophobicContact CG-CE2 3.91Å; L816-F1041 HydrophobicContact CG-CZ 4.18Å |
| 817 | V | 87.2 | Confident | 79.7 | Confident | 56 Ų | 56 | 59.5 Ų | 59.5 | 34% | 0.339 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.8 | -38.5 | 173.1 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | E813 R814 I820 T821 | E813-V817 HydrophobicContact CG-CG2 4.36Å; E813-V817 WeakPolarHBondContact O-CB 3.39Å; E813-V817 VanDerWaalsContact O-CG2 3.29Å; E813-V817 WeakPolarHBondContact O-CG2 3.38Å; E813-V817 PolarHBondContact O-N 3.3Å; R814-V817 PolarHBondContact O-N 3.23Å; V817-I820 PolarHBondContact O-N 3.16Å; V817-T821 PolarHBondContact O-N 3.32Å; V817-T821 PolarHBondContact O-OG1 3.06Å |
| 818 | H | 89.8 | Confident | 81.1 | Confident | 5 Ų | 5 | 53.2 Ų | 53.2 | 2% | 0.023 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.3 | -37.9 | 175.3 | -163.4 | 81.7 | 0 | 0 | 0 | 112.5 | D800 M803 R814 S815 L816 G822 R832 | D800-H818 IonicContact OD2-CD2 3.9Å; D800-H818 IonicContact OD2-CE1 2.87Å; D800-H818 IonicContact OD2-NE2 3.82Å; D800-H818 PolarHBondContact OD2-NE2 3.27Å; M803-H818 HydrophobicContact CG-CB 4.36Å; M803-H818 HydrophobicContact SD-CB 3.74Å; R814-H818 WeakPolarHBondContact O-CB 3.2Å; R814-H818 PolarHBondContact O-N 3.27Å; S815-H818 WeakPolarHBondContact O-CB 3.34Å; S815-H818 PolarHBondContact O-N 3.03Å; L816-H818 PolarHBondContact O-N 3.49Å; H818-G822 PolarHBondContact CE1-O 2.7Å; H818-G822 WeakPolarHBondContact O-CA 3.44Å; H818-G822 PolarHBondContact O-N 2.85Å; H818-R832 PolarHBondContact O-NH2 3.07Å |
| 819 | M | 90.7 | Very high | 82.4 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.5 | -34.2 | 174.5 | -58 | -43.4 | 154.8 | 0 | 0 | 112.8 | A627 S815 L816 I841 G849 N851 | A627-M819 HydrophobicContact CB-CG 4.19Å; S815-M819 VanDerWaalsContact O-CG 3.27Å; S815-M819 WeakPolarHBondContact O-CG 3.37Å; S815-M819 PolarHBondContact O-N 3.43Å; L816-M819 PolarHBondContact O-N 3.18Å; L816-M819 VanDerWaalsContact O-N 3.12Å; M819-I841 HydrophobicContact CB-CD1 4.4Å; M819-I841 HydrophobicContact CE-CG2 4.44Å; M819-I841 WeakPolarHBondContact O-CD1 3.41Å; M819-I841 HydrophobicContact SD-CB 3.61Å; M819-I841 HydrophobicContact SD-CD1 3.98Å; M819-I841 HydrophobicContact SD-CG1 4.41Å; M819-I841 HydrophobicContact SD-CG2 3.74Å; M819-G849 VanDerWaalsContact SD-CA 3.58Å; M819-N851 WeakPolarHBondContact O-CB 3.42Å; M819-N851 PolarHBondContact O-ND2 2.74Å; M819-N851 VanDerWaalsContact O-ND2 3.15Å |
| 820 | I | 90.1 | Very high | 83.5 | Confident | 8 Ų | 8 | 45.7 Ų | 45.7 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -77.7 | -43.3 | 179.9 | -62.3 | 166.8 | 0 | 0 | 0 | 111.4 | V620 L816 V817 N851 G1018 F1041 | V620-I820 HydrophobicContact CG2-CG2 4.05Å; L816-I820 HydrophobicContact CD1-CD1 4.29Å; L816-I820 HydrophobicContact CD1-CG1 4.46Å; L816-I820 HydrophobicContact CG-CD1 4.15Å; L816-I820 WeakPolarHBondContact O-CG1 3.32Å; L816-I820 PolarHBondContact O-N 2.75Å; V817-I820 PolarHBondContact O-N 3.16Å; I820-N851 PolarHBondContact O-ND2 2.82Å; I820-G1018 WeakPolarHBondContact CD1-O 3.46Å; I820-F1041 HydrophobicContact CD1-CE1 4.36Å; I820-F1041 HydrophobicContact CD1-CZ 4.19Å |
| 821 | T | 88.8 | Confident | 84.3 | Confident | 30 Ų | 30 | 42 Ų | 42 | 18% | 0.184 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -125.2 | -12.9 | -165.3 | 65.6 | 0 | 0 | 0 | 0 | 115 | V620 V817 G823 L829 | V620-T821 HydrophobicContact CG2-CG2 3.6Å; V817-T821 PolarHBondContact O-N 3.32Å; V817-T821 PolarHBondContact O-OG1 3.06Å; T821-G823 PolarHBondContact OG1-N 3.22Å; T821-L829 WeakPolarHBondContact O-CD1 3.47Å |
| 822 | G | 89.3 | Confident | 85.2 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | 79.9 | 16.3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | H818 G824 Y827 S828 L829 | H818-G822 PolarHBondContact CE1-O 2.7Å; H818-G822 WeakPolarHBondContact O-CA 3.44Å; H818-G822 PolarHBondContact O-N 2.85Å; G822-G824 PolarHBondContact O-N 3.48Å; G822-Y827 WeakPolarHBondContact O-CB 3.21Å; G822-S828 CarbonylContact O-C 3.49Å; G822-S828 PolarHBondContact O-N 3.21Å; G822-L829 PolarHBondContact O-N 3.11Å | ||
| 823 | G | 82.8 | Confident | 86.1 | Confident | 21 Ų | 21 | 36.5 Ų | 36.5 | 22% | 0.216 | 19% | 0.189 | C | C | . | . | S | Bend | trans | 80.4 | -4.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | T821 Y827 | T821-G823 PolarHBondContact OG1-N 3.22Å; G823-Y827 WeakPolarHBondContact O-CD2 3.18Å; G823-Y827 WeakPolarHBondContact O-CE2 3.24Å |
| 824 | G | 78.9 | Confident | 86.8 | Confident | 16 Ų | 16 | 32.3 Ų | 32.3 | 17% | 0.165 | 17% | 0.17 | C | C | . | . | S | Bend | trans | 99.6 | 179.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | G822 K826 Y827 | G822-G824 PolarHBondContact O-N 3.48Å; G824-K826 PolarHBondContact O-N 2.93Å; G824-Y827 PolarHBondContact O-N 3.32Å |
| 825 | P | 74.2 | Confident | 87.5 | Confident | 112 Ų | 112 | 29 Ų | 29 | 73% | 0.727 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -22 | -166.1 | -21.3 | 30.2 | 0 | 0 | 0 | 115.2 | Y827 L829 | P825-Y827 VanDerWaalsContact C-N 3.3Å; P825-L829 HydrophobicContact CB-CD2 4.24Å; P825-L829 HydrophobicContact CG-CD2 3.95Å |
| 826 | K | 74.6 | Confident | 88.1 | Confident | 174 Ų | 174 | 28.9 Ų | 28.9 | 76% | 0.757 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -13.3 | 178.4 | -67.9 | -178.3 | -177.7 | 170.4 | 0 | 113.4 | G824 | G824-K826 PolarHBondContact O-N 2.93Š|
| 827 | Y | 81.8 | Confident | 88.6 | Confident | 68 Ų | 68 | 28.9 Ų | 28.9 | 27% | 0.267 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | -120.6 | -175.1 | -54.2 | -85 | 0 | 0 | 0 | 109.8 | G805 G822 G823 G824 P825 | G805-Y827 VanDerWaalsContact CA-OH 3.3Å; G805-Y827 WeakPolarHBondContact CA-OH 3.28Å; G822-Y827 WeakPolarHBondContact O-CB 3.21Å; G823-Y827 WeakPolarHBondContact O-CD2 3.18Å; G823-Y827 WeakPolarHBondContact O-CE2 3.24Å; G824-Y827 PolarHBondContact O-N 3.32Å; P825-Y827 VanDerWaalsContact C-N 3.3Å |
| 828 | S | 88.3 | Confident | 88.9 | Confident | 9 Ų | 9 | 26.3 Ų | 26.3 | 6% | 0.063 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 31.6 | -168.2 | -58.7 | 0 | 0 | 0 | 0 | 112.7 | D800 G822 F830 N831 | D800-S828 WeakPolarHBondContact OD1-CB 3.4Å; D800-S828 WeakPolarHBondContact OD2-CB 3.09Å; G822-S828 CarbonylContact O-C 3.49Å; G822-S828 PolarHBondContact O-N 3.21Å; S828-F830 VanDerWaalsContact C-N 3.26Å; S828-F830 PolarHBondContact O-N 2.71Å; S828-F830 VanDerWaalsContact O-N 3.17Å; S828-N831 PolarHBondContact O-N 2.9Å |
| 829 | L | 87.4 | Confident | 89.2 | Confident | 30 Ų | 30 | 26.1 Ų | 26.1 | 16% | 0.157 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.4 | -45.9 | -178.1 | -174.9 | 64.8 | 0 | 0 | 0 | 113.3 | M764 T821 G822 P825 | M764-L829 HydrophobicContact CE-CD1 3.34Å; M764-L829 HydrophobicContact CE-CG 3.81Å; M764-L829 HydrophobicContact SD-CD1 4.41Å; M764-L829 HydrophobicContact SD-CG 4.25Å; M764-L829 VanDerWaalsContact SD-O 3.37Å; T821-L829 WeakPolarHBondContact O-CD1 3.47Å; G822-L829 PolarHBondContact O-N 3.11Å; P825-L829 HydrophobicContact CB-CD2 4.24Å; P825-L829 HydrophobicContact CG-CD2 3.95Å |
| 830 | F | 90 | Very high | 89.5 | Confident | 73 Ų | 73 | 26.1 Ų | 26.1 | 32% | 0.32 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -1.4 | -174.8 | -51.7 | -53.8 | 0 | 0 | 0 | 114.1 | A758 A761 M764 S828 R832 | A758-F830 HydrophobicContact CB-CB 3.77Å; A758-F830 HydrophobicContact CB-CD2 3.84Å; A758-F830 HydrophobicContact CB-CG 3.8Å; A761-F830 HydrophobicContact CB-CD1 3.72Å; A761-F830 HydrophobicContact CB-CE1 3.99Å; M764-F830 HydrophobicContact SD-CD1 4.05Å; M764-F830 HydrophobicContact SD-CE1 4.49Å; S828-F830 VanDerWaalsContact C-N 3.26Å; S828-F830 PolarHBondContact O-N 2.71Å; S828-F830 VanDerWaalsContact O-N 3.17Å; F830-R832 PolarHBondContact O-N 3.01Å |
| 831 | N | 93.1 | Very high | 89.7 | Confident | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.011 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -84 | 49.4 | 180 | -161.6 | 48.8 | 0 | 0 | 0 | 111 | M715 C716 K717 N718 C798 L799 D800 S828 | M715-N831 WeakPolarHBondContact CB-OD1 3.23Å; M715-N831 PolarHBondContact O-ND2 3.34Å; M715-N831 PolarHBondContact O-OD1 2.69Å; C716-N831 PolarHBondContact N-OD1 2.89Å; K717-N831 PolarHBondContact N-OD1 2.56Å; N718-N831 WeakPolarHBondContact CA-OD1 3.47Å; N718-N831 PolarHBondContact N-OD1 3.03Å; N718-N831 PolarHBondContact OD1-N 3.49Å; C798-N831 PolarHBondContact SG-O 3.5Å; L799-N831 PolarHBondContact O-ND2 2.86Å; D800-N831 PolarHBondContact OD1-ND2 3.41Å; S828-N831 PolarHBondContact O-N 2.9Å |
| 832 | R | 94.5 | Very high | 90 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -145.1 | 162.6 | -167 | -63.3 | -65.1 | -176.9 | -85.2 | -1.6 | 112.3 | G760 D800 H818 F830 F834 | G760-R832 VanDerWaalsContact CA-O 3.28Å; G760-R832 WeakPolarHBondContact CA-O 3.12Å; D800-R832 VanDerWaalsContact CG-NH1 3.26Å; D800-R832 IonicContact OD1-CZ 3.35Å; D800-R832 IonicContact OD1-NH1 3.42Å; D800-R832 PolarHBondContact OD1-NH1 2.9Å; D800-R832 IonicContact OD2-CZ 3.47Å; D800-R832 IonicContact OD2-NH1 2.73Å; D800-R832 PolarHBondContact OD2-NH1 3.11Å; D800-R832 IonicContact OD2-NH2 3.69Å; D800-R832 PolarHBondContact OD2-NH2 3.44Å; H818-R832 PolarHBondContact O-NH2 3.07Å; F830-R832 PolarHBondContact O-N 3.01Å; R832-F834 HydrophobicContact CB-CD2 3.98Å; R832-F834 HydrophobicContact CB-CE2 3.44Å; R832-F834 VanDerWaalsContact CB-CE2 3.44Å; R832-F834 HydrophobicContact CB-CZ 3.82Å; R832-F834 HydrophobicContact CG-CE2 3.84Å; R832-F834 HydrophobicContact CG-CZ 3.74Å | ||
| 833 | W | 96 | Very high | 90.1 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 0% | 0.004 | 13% | 0.129 | C | C | . | . | trans | -143.3 | 85.8 | 169.7 | -162.3 | -86.9 | 0 | 0 | 0 | 111.2 | Y688 I759 T763 Y774 L787 I790 V796 E835 K836 Q839 | Y688-W833 AromaticContact CE2-NE1 3.52Å; Y688-W833 AromaticContact CZ-NE1 3.67Å; Y688-W833 PolarHBondContact OH-NE1 2.99Å; I759-W833 HydrophobicContact CG2-CZ3 4.4Å; T763-W833 HydrophobicContact CG2-CD2 3.82Å; T763-W833 HydrophobicContact CG2-CE3 4.15Å; T763-W833 HydrophobicContact CG2-CG 4.17Å; T763-W833 HydrophobicContact CG2-CH2 4.48Å; T763-W833 HydrophobicContact CG2-CZ2 4.21Å; T763-W833 HydrophobicContact CG2-CZ3 4.46Å; Y774-W833 HydrophobicContact CE1-CH2 4.24Å; Y774-W833 HydrophobicContact CE1-CZ2 4.16Å; L787-W833 HydrophobicContact CD2-CH2 3.43Å; L787-W833 VanDerWaalsContact CD2-CH2 3.43Å; L787-W833 HydrophobicContact CD2-CZ2 3.89Å; I790-W833 HydrophobicContact CD1-CD2 4.37Å; I790-W833 HydrophobicContact CD1-CE3 3.97Å; I790-W833 HydrophobicContact CD1-CH2 3.96Å; I790-W833 HydrophobicContact CD1-CZ2 4.33Å; I790-W833 HydrophobicContact CD1-CZ3 3.75Å; I790-W833 HydrophobicContact CG2-CD2 3.56Å; I790-W833 HydrophobicContact CG2-CE3 4.22Å; I790-W833 HydrophobicContact CG2-CG 3.68Å; I790-W833 HydrophobicContact CG2-CZ2 4.14Å; V796-W833 HydrophobicContact CG2-CB 4.15Å; W833-E835 PolarHBondContact O-N 3.4Å; W833-E835 VanDerWaalsContact O-N 3.09Å; W833-K836 PolarHBondContact O-N 3.33Å; W833-Q839 VanDerWaalsContact C-OE1 3.31Å; W833-Q839 WeakPolarHBondContact O-CG 3.26Å; W833-Q839 PolarHBondContact O-NE2 2.81Å; W833-Q839 PolarHBondContact O-OE1 3.3Å | ||
| 834 | F | 95.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -13.5 | -168.5 | -69.1 | -80.1 | 0 | 0 | 0 | 116.2 | L618 P619 N623 T763 M764 R832 Q839 N851 | L618-F834 HydrophobicContact CB-CB 3.96Å; L618-F834 HydrophobicContact CD1-CB 4.12Å; L618-F834 WeakPolarHBondContact CD1-O 3.42Å; P619-F834 HydrophobicContact CB-CD1 3.95Å; P619-F834 HydrophobicContact CB-CD2 4.49Å; P619-F834 HydrophobicContact CB-CE1 3.68Å; P619-F834 HydrophobicContact CB-CE2 4.25Å; P619-F834 HydrophobicContact CB-CG 4.36Å; P619-F834 HydrophobicContact CB-CZ 3.83Å; P619-F834 HydrophobicContact CG-CD1 4.41Å; P619-F834 HydrophobicContact CG-CD2 4.21Å; P619-F834 HydrophobicContact CG-CE1 4.41Å; P619-F834 HydrophobicContact CG-CE2 4.21Å; P619-F834 HydrophobicContact CG-CG 4.32Å; P619-F834 HydrophobicContact CG-CZ 4.3Å; N623-F834 PolarHBondContact ND2-O 2.83Å; T763-F834 WeakPolarHBondContact OG1-CD2 3.25Å; T763-F834 PolarHBondContact OG1-N 2.84Å; T763-F834 VanDerWaalsContact OG1-N 3.08Å; M764-F834 HydrophobicContact CE-CE2 3.81Å; M764-F834 HydrophobicContact CE-CZ 4.32Å; M764-F834 HydrophobicContact CG-CD2 3.55Å; M764-F834 HydrophobicContact CG-CE2 3.48Å; M764-F834 VanDerWaalsContact CG-CE2 3.48Å; M764-F834 HydrophobicContact SD-CE2 3.87Å; R832-F834 HydrophobicContact CB-CD2 3.98Å; R832-F834 HydrophobicContact CB-CE2 3.44Å; R832-F834 VanDerWaalsContact CB-CE2 3.44Å; R832-F834 HydrophobicContact CB-CZ 3.82Å; R832-F834 HydrophobicContact CG-CE2 3.84Å; R832-F834 HydrophobicContact CG-CZ 3.74Å; F834-Q839 VanDerWaalsContact CA-NE2 3.32Å; F834-N851 WeakPolarHBondContact CD1-OD1 3.44Å |
| 835 | E | 95.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -14.9 | 179.5 | -70.9 | -171.4 | 173.7 | 0 | 0 | 114.2 | L618 Y688 R689 A691 T763 R767 Y774 W833 | L618-E835 HydrophobicContact CD1-CG 3.79Å; Y688-E835 HydrophobicContact CE1-CB 4.17Å; Y688-E835 HydrophobicContact CE2-CB 3.98Å; Y688-E835 WeakPolarHBondContact OH-CB 3.08Å; Y688-E835 PolarHBondContact OH-OE2 2.87Å; R689-E835 PolarHBondContact N-O 3.23Å; R689-E835 VanDerWaalsContact N-O 3.12Å; R689-E835 VanDerWaalsContact O-CB 3.24Å; R689-E835 WeakPolarHBondContact O-CB 3.34Å; R689-E835 VanDerWaalsContact O-CD 3.3Å; R689-E835 VanDerWaalsContact O-CG 3.27Å; R689-E835 WeakPolarHBondContact O-CG 3.43Å; A691-E835 WeakPolarHBondContact CB-OE1 3.5Å; T763-E835 HydrophobicContact CG2-CG 4.12Å; R767-E835 IonicContact CZ-OE1 3.92Å; R767-E835 VanDerWaalsContact CZ-OE1 3.3Å; R767-E835 IonicContact NH1-OE1 2.75Å; R767-E835 PolarHBondContact NH1-OE1 3.27Å; R767-E835 IonicContact NH2-OE1 3.74Å; R767-E835 PolarHBondContact NH2-OE1 2.99Å; Y774-E835 WeakPolarHBondContact CE2-OE1 3.38Å; Y774-E835 WeakPolarHBondContact CE2-OE2 3.34Å; Y774-E835 VanDerWaalsContact CZ-OE2 3.32Å; Y774-E835 PolarHBondContact OH-OE1 3.46Å; Y774-E835 PolarHBondContact OH-OE2 3.2Å; W833-E835 PolarHBondContact O-N 3.4Å; W833-E835 VanDerWaalsContact O-N 3.09Å |
| 836 | K | 96.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | B | Isolated β-bridge | trans | -84.7 | 137.3 | 176.4 | -168 | 64.8 | -172.6 | 172.9 | 0 | 110 | A687 Y688 K791 C793 T794 V796 W833 F838 | A687-K836 PolarHBondContact O-NZ 2.98Å; Y688-K836 HydrophobicContact CD2-CD 3.98Å; K791-K836 PolarHBondContact O-NZ 3.09Å; C793-K836 WeakPolarHBondContact O-CE 3.3Å; C793-K836 PolarHBondContact O-NZ 3.15Å; T794-K836 WeakPolarHBondContact O-CE 3.41Å; V796-K836 HydrophobicContact CG2-CB 3.95Å; V796-K836 HydrophobicContact CG2-CG 4.07Å; W833-K836 PolarHBondContact O-N 3.33Å; K836-F838 VanDerWaalsContact C-N 3.28Å; K836-F838 PolarHBondContact O-N 3.34Å |
| 837 | T | 94.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.006 | 7% | 0.067 | C | C | . | . | S | Bend | trans | -52.3 | -42.4 | -176.2 | -51.2 | 0 | 0 | 0 | 0 | 113.5 | I684 A687 Y852 E853 V856 | I684-T837 WeakPolarHBondContact O-CB 3.44Å; I684-T837 VanDerWaalsContact O-CG2 3.31Å; I684-T837 WeakPolarHBondContact O-CG2 3.31Å; A687-T837 PolarHBondContact O-OG1 2.85Å; T837-Y852 CarbonylContact O-C 3.5Å; T837-Y852 VanDerWaalsContact O-CA 3.23Å; T837-Y852 WeakPolarHBondContact O-CA 3.22Å; T837-E853 PolarHBondContact O-N 3.35Å; T837-V856 HydrophobicContact CG2-CB 4.42Å |
| 838 | F | 95 | Very high | 92.2 | Very high | 3 Ų | 3 | 11.7 Ų | 11.7 | 1% | 0.013 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 130.7 | 174.8 | -62.9 | -58.9 | 0 | 0 | 0 | 112.3 | I684 F685 F795 V796 K836 F840 V850 L862 L865 | I684-F838 HydrophobicContact CB-CE2 3.68Å; I684-F838 HydrophobicContact CB-CZ 4.11Å; I684-F838 HydrophobicContact CD1-CE2 3.79Å; I684-F838 HydrophobicContact CD1-CZ 4.09Å; I684-F838 HydrophobicContact CG1-CE2 3.78Å; I684-F838 HydrophobicContact CG1-CZ 4.41Å; F685-F838 HydrophobicContact CD1-CD2 4.01Å; F685-F838 HydrophobicContact CD1-CE2 4.39Å; F685-F838 AromaticContact CE1-CD2 3.72Å; F685-F838 HydrophobicContact CE1-CD2 3.72Å; F685-F838 HydrophobicContact CE1-CE2 4.05Å; F685-F838 HydrophobicContact CZ-CD2 4.48Å; F685-F838 HydrophobicContact CZ-CE2 4.41Å; F795-F838 HydrophobicContact CB-CB 4.16Å; V796-F838 PolarHBondContact N-O 3.25Å; K836-F838 VanDerWaalsContact C-N 3.28Å; K836-F838 PolarHBondContact O-N 3.34Å; F838-F840 HydrophobicContact CB-CE2 3.93Å; F838-F840 HydrophobicContact CB-CZ 3.93Å; F838-F840 HydrophobicContact CG-CZ 4.22Å; F838-V850 HydrophobicContact CD1-CG2 4.14Å; F838-L862 HydrophobicContact CD1-CD1 4.08Å; F838-L862 HydrophobicContact CE1-CB 4.12Å; F838-L862 HydrophobicContact CE1-CD1 3.67Å; F838-L862 HydrophobicContact CE1-CG 4.45Å; F838-L865 HydrophobicContact CD2-CD2 4.24Å; F838-L865 HydrophobicContact CE1-CD2 4.48Å; F838-L865 HydrophobicContact CE2-CD2 3.93Å; F838-L865 HydrophobicContact CZ-CD2 4.07Å |
| 839 | Q | 95.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 106.1 | 166.9 | -54.7 | 170.7 | 73.7 | 0 | 0 | 108.8 | V796 W833 F834 V850 N851 | V796-Q839 HydrophobicContact CB-CB 4.25Å; V796-Q839 HydrophobicContact CB-CG 3.96Å; V796-Q839 HydrophobicContact CG1-CB 4.48Å; V796-Q839 HydrophobicContact CG1-CG 4.33Å; V796-Q839 HydrophobicContact CG2-CG 4.49Å; V796-Q839 CarbonylContact O-C 3.53Å; V796-Q839 WeakPolarHBondContact O-CA 3.29Å; W833-Q839 VanDerWaalsContact C-OE1 3.31Å; W833-Q839 WeakPolarHBondContact O-CG 3.26Å; W833-Q839 PolarHBondContact O-NE2 2.81Å; W833-Q839 PolarHBondContact O-OE1 3.3Å; F834-Q839 VanDerWaalsContact CA-NE2 3.32Å; Q839-V850 CarbonylContact O-C 3.58Å; Q839-V850 VanDerWaalsContact O-CA 3.27Å; Q839-V850 WeakPolarHBondContact O-CA 3.5Å; Q839-V850 WeakPolarHBondContact O-CG2 3.41Å; Q839-N851 HydrophobicContact CB-CB 4.27Å; Q839-N851 PolarHBondContact N-O 3.29Å; Q839-N851 PolarHBondContact NE2-OD1 2.87Å; Q839-N851 VanDerWaalsContact NE2-OD1 3.14Å; Q839-N851 PolarHBondContact O-N 2.7Å |
| 840 | F | 95.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 4% | 0.044 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 127.3 | 175.7 | -59.3 | -71.6 | 0 | 0 | 0 | 109.7 | F646 V650 F795 V796 V797 C798 F838 L842 G849 V850 L865 M866 | F646-F840 HydrophobicContact CD1-CB 4.49Å; F646-F840 HydrophobicContact CD1-CG 4.46Å; F646-F840 HydrophobicContact CE1-CB 3.7Å; F646-F840 AromaticContact CE1-CD1 3.44Å; F646-F840 HydrophobicContact CE1-CD1 3.44Å; F646-F840 VanDerWaalsContact CE1-CD1 3.44Å; F646-F840 AromaticContact CE1-CD2 3.99Å; F646-F840 HydrophobicContact CE1-CD2 3.99Å; F646-F840 HydrophobicContact CE1-CE1 4.03Å; F646-F840 AromaticContact CE1-CG 3.41Å; F646-F840 HydrophobicContact CE1-CG 3.41Å; F646-F840 VanDerWaalsContact CE1-CG 3.41Å; F646-F840 HydrophobicContact CZ-CB 4.24Å; F646-F840 AromaticContact CZ-CD1 3.49Å; F646-F840 HydrophobicContact CZ-CD1 3.49Å; F646-F840 VanDerWaalsContact CZ-CD1 3.49Å; F646-F840 HydrophobicContact CZ-CE1 4.04Å; F646-F840 AromaticContact CZ-CG 3.95Å; F646-F840 HydrophobicContact CZ-CG 3.95Å; V650-F840 HydrophobicContact CB-CE2 4.47Å; V650-F840 HydrophobicContact CG1-CE2 3.83Å; V650-F840 HydrophobicContact CG1-CZ 4.06Å; V650-F840 HydrophobicContact CG2-CD2 4.37Å; V650-F840 HydrophobicContact CG2-CE1 4.44Å; V650-F840 HydrophobicContact CG2-CE2 3.86Å; V650-F840 HydrophobicContact CG2-CZ 3.9Å; F795-F840 HydrophobicContact CB-CD2 4.27Å; F795-F840 HydrophobicContact CB-CE2 3.91Å; F795-F840 HydrophobicContact CD1-CE2 4.21Å; F795-F840 AromaticContact CD2-CD2 3.51Å; F795-F840 HydrophobicContact CD2-CD2 3.51Å; F795-F840 AromaticContact CD2-CE2 3.73Å; F795-F840 HydrophobicContact CD2-CE2 3.73Å; F795-F840 AromaticContact CE2-CD2 3.98Å; F795-F840 HydrophobicContact CE2-CD2 3.98Å; F795-F840 HydrophobicContact CE2-CE2 4.25Å; F795-F840 AromaticContact CG-CD2 3.96Å; F795-F840 HydrophobicContact CG-CD2 3.96Å; F795-F840 AromaticContact CG-CE2 3.69Å; F795-F840 HydrophobicContact CG-CE2 3.69Å; V796-F840 PolarHBondContact O-N 2.83Å; V797-F840 CarbonylContact C-O 3.39Å; V797-F840 WeakPolarHBondContact CA-O 3.35Å; C798-F840 PolarHBondContact N-O 3.46Å; F838-F840 HydrophobicContact CB-CE2 3.93Å; F838-F840 HydrophobicContact CB-CZ 3.93Å; F838-F840 HydrophobicContact CG-CZ 4.22Å; F840-L842 HydrophobicContact CB-CD1 4.29Å; F840-G849 WeakPolarHBondContact CA-O 3.32Å; F840-V850 HydrophobicContact CD1-CB 3.95Å; F840-V850 HydrophobicContact CD1-CG2 3.72Å; F840-V850 HydrophobicContact CE1-CB 4.22Å; F840-V850 HydrophobicContact CE1-CG2 3.74Å; F840-L865 HydrophobicContact CE1-CD2 4.38Å; F840-L865 HydrophobicContact CZ-CD2 3.83Å; F840-M866 HydrophobicContact CD1-SD 4.36Å; F840-M866 HydrophobicContact CE1-SD 3.86Å |
| 841 | I | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.029 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 122 | -174.4 | -60.7 | 159.4 | 0 | 0 | 0 | 107.3 | C798 M819 V848 G849 N851 | C798-I841 HydrophobicContact CB-CB 4.46Å; C798-I841 HydrophobicContact CB-CG1 4.03Å; M819-I841 HydrophobicContact CB-CD1 4.4Å; M819-I841 HydrophobicContact CE-CG2 4.44Å; M819-I841 WeakPolarHBondContact O-CD1 3.41Å; M819-I841 HydrophobicContact SD-CB 3.61Å; M819-I841 HydrophobicContact SD-CD1 3.98Å; M819-I841 HydrophobicContact SD-CG1 4.41Å; M819-I841 HydrophobicContact SD-CG2 3.74Å; I841-V848 CarbonylContact O-C 3.59Å; I841-V848 WeakPolarHBondContact O-CA 3.42Å; I841-G849 PolarHBondContact N-O 3.21Å; I841-G849 PolarHBondContact O-N 3.42Å; I841-N851 HydrophobicContact CD1-CB 4.18Å |
| 842 | L | 94.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 6.9 Ų | 6.9 | 1% | 0.005 | 3% | 0.031 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 124.7 | 178 | -61.1 | 101 | 0 | 0 | 0 | 108.3 | Y639 Y642 V643 F646 V797 C798 D800 F840 G847 V848 | Y639-L842 HydrophobicContact CE2-CB 4.16Å; Y639-L842 PolarHBondContact OH-O 3.19Å; Y639-L842 VanDerWaalsContact OH-O 3.05Å; Y642-L842 HydrophobicContact CD1-CD2 3.8Å; Y642-L842 HydrophobicContact CE1-CD2 3.63Å; V643-L842 HydrophobicContact CB-CD2 4.46Å; V643-L842 HydrophobicContact CG2-CB 4.24Å; V643-L842 HydrophobicContact CG2-CD2 3.87Å; V643-L842 HydrophobicContact CG2-CG 4.48Å; F646-L842 HydrophobicContact CB-CD2 4.4Å; F646-L842 HydrophobicContact CD2-CD2 4.45Å; F646-L842 HydrophobicContact CG-CD2 4.32Å; V797-L842 HydrophobicContact CG1-CD1 3.81Å; C798-L842 PolarHBondContact O-N 2.83Å; D800-L842 PolarHBondContact N-O 3Å; F840-L842 HydrophobicContact CB-CD1 4.29Å; L842-G847 CarbonylContact C-O 3.58Å; L842-G847 WeakPolarHBondContact CA-O 3.34Å; L842-V848 HydrophobicContact CD2-CG1 4.34Å; L842-V848 HydrophobicContact CD2-CG2 4.43Å; L842-V848 HydrophobicContact CG-CG1 4.43Å |
| 843 | T | 92.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 3% | 0.031 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 150 | -178.5 | 71.9 | 0 | 0 | 0 | 0 | 110.5 | Y639 D800 M803 D845 G846 G847 | Y639-T843 WeakPolarHBondContact CE2-O 3.39Å; D800-T843 HydrophobicContact CB-CG2 3.9Å; D800-T843 WeakPolarHBondContact O-CA 3.4Å; M803-T843 HydrophobicContact CE-CG2 4.21Å; M803-T843 HydrophobicContact CG-CG2 4.09Å; M803-T843 HydrophobicContact SD-CG2 4.25Å; T843-D845 WeakPolarHBondContact CB-OD1 3.49Å; T843-D845 PolarHBondContact O-N 3.49Å; T843-D845 PolarHBondContact OG1-OD1 3.29Å; T843-G846 PolarHBondContact O-N 2.89Å; T843-G847 PolarHBondContact N-O 3.19Å; T843-G847 WeakPolarHBondContact OG1-CA 3.46Å; T843-G847 PolarHBondContact OG1-N 3.12Å; T843-G847 PolarHBondContact OG1-O 2.85Å |
| 844 | Y | 89.8 | Confident | 92.1 | Very high | 70 Ų | 70 | 8.2 Ų | 8.2 | 28% | 0.275 | 4% | 0.037 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -23.7 | 178.9 | -64 | -41.5 | 0 | 0 | 0 | 114.4 | Y639 D800 E801 G846 | Y639-Y844 AromaticContact CD1-CD1 3.81Å; Y639-Y844 HydrophobicContact CD1-CD1 3.81Å; Y639-Y844 AromaticContact CD1-CE1 3.87Å; Y639-Y844 HydrophobicContact CD1-CE1 3.87Å; Y639-Y844 HydrophobicContact CD2-CD1 4.27Å; Y639-Y844 AromaticContact CE1-CD1 3.55Å; Y639-Y844 HydrophobicContact CE1-CD1 3.55Å; Y639-Y844 AromaticContact CE1-CE1 3.38Å; Y639-Y844 HydrophobicContact CE1-CE1 3.38Å; Y639-Y844 HydrophobicContact CE2-CD1 4.03Å; Y639-Y844 HydrophobicContact CG-CD1 4.16Å; Y639-Y844 AromaticContact CZ-CD1 3.65Å; Y639-Y844 AromaticContact CZ-CE1 3.79Å; D800-Y844 PolarHBondContact O-N 3.49Å; D800-Y844 VanDerWaalsContact O-N 3.07Å; E801-Y844 HydrophobicContact CG-CE2 4.35Å; Y844-G846 VanDerWaalsContact C-N 3.25Å; Y844-G846 PolarHBondContact O-N 3.05Å |
| 845 | D | 86.6 | Confident | 91.9 | Very high | 55 Ų | 55 | 8.2 Ų | 8.2 | 29% | 0.294 | 4% | 0.037 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 10.4 | 173.9 | 67.6 | -33.9 | 0 | 0 | 0 | 113.7 | A802 M803 T843 | A802-D845 WeakPolarHBondContact CA-OD1 3.48Å; A802-D845 HydrophobicContact CB-CB 3.81Å; M803-D845 PolarHBondContact N-OD1 3.24Å; M803-D845 PolarHBondContact N-OD2 3.29Å; T843-D845 WeakPolarHBondContact CB-OD1 3.49Å; T843-D845 PolarHBondContact O-N 3.49Å; T843-D845 PolarHBondContact OG1-OD1 3.29Å |
| 846 | G | 86.2 | Confident | 91.5 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 4% | 0.042 | C | C | . | . | S | Bend | trans | 95.3 | 2.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | N630 V631 T843 Y844 V848 | N630-G846 CarbonylContact C-O 2.89Å; N630-G846 WeakPolarHBondContact CA-O 3.48Å; V631-G846 PolarHBondContact N-O 3.34Å; V631-G846 WeakPolarHBondContact O-CA 3.45Å; T843-G846 PolarHBondContact O-N 2.89Å; Y844-G846 VanDerWaalsContact C-N 3.25Å; Y844-G846 PolarHBondContact O-N 3.05Å; G846-V848 PolarHBondContact O-N 3Å |
| 847 | G | 85.8 | Confident | 91 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 4% | 0.043 | C | C | . | . | trans | -63.6 | 131.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | L842 T843 | L842-G847 CarbonylContact C-O 3.58Å; L842-G847 WeakPolarHBondContact CA-O 3.34Å; T843-G847 PolarHBondContact N-O 3.19Å; T843-G847 WeakPolarHBondContact OG1-CA 3.46Å; T843-G847 PolarHBondContact OG1-N 3.12Å; T843-G847 PolarHBondContact OG1-O 2.85Å | ||
| 848 | V | 87.2 | Confident | 90.3 | Very high | 1 Ų | 1 | 9.3 Ų | 9.3 | 1% | 0.006 | 4% | 0.044 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 135.7 | 177.5 | -173.6 | 0 | 0 | 0 | 0 | 108.3 | L628 V631 Y642 F646 I841 L842 G846 | L628-V848 HydrophobicContact CB-CB 4.18Å; L628-V848 HydrophobicContact CB-CG1 4.5Å; L628-V848 WeakPolarHBondContact CB-O 3.47Å; L628-V848 HydrophobicContact CD1-CB 4.38Å; L628-V848 HydrophobicContact CD1-CG1 3.84Å; L628-V848 PolarHBondContact N-O 3.29Å; V631-V848 HydrophobicContact CG2-CG2 4.06Å; Y642-V848 HydrophobicContact CE1-CG1 4.49Å; Y642-V848 HydrophobicContact CE1-CG2 3.67Å; F646-V848 HydrophobicContact CD2-CG1 4.23Å; F646-V848 HydrophobicContact CE2-CG1 3.82Å; I841-V848 CarbonylContact O-C 3.59Å; I841-V848 WeakPolarHBondContact O-CA 3.42Å; L842-V848 HydrophobicContact CD2-CG1 4.34Å; L842-V848 HydrophobicContact CD2-CG2 4.43Å; L842-V848 HydrophobicContact CG-CG1 4.43Å; G846-V848 PolarHBondContact O-N 3Å |
| 849 | G | 87.2 | Confident | 89.2 | Confident | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.045 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.7 | -165.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F626 M819 F840 I841 | F626-G849 CarbonylContact O-C 3.53Å; F626-G849 WeakPolarHBondContact O-CA 3.5Å; M819-G849 VanDerWaalsContact SD-CA 3.58Å; F840-G849 WeakPolarHBondContact CA-O 3.32Å; I841-G849 PolarHBondContact N-O 3.21Å; I841-G849 PolarHBondContact O-N 3.42Å |
| 850 | V | 91.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.047 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 144.8 | -177.4 | 66.2 | 0 | 0 | 0 | 0 | 110.2 | G625 F626 F838 Q839 F840 L862 M866 | G625-V850 WeakPolarHBondContact CA-O 3.33Å; F626-V850 HydrophobicContact CB-CG1 3.76Å; F626-V850 HydrophobicContact CD1-CG1 4.28Å; F626-V850 PolarHBondContact N-O 3.42Å; F626-V850 PolarHBondContact O-N 3.27Å; F838-V850 HydrophobicContact CD1-CG2 4.14Å; Q839-V850 CarbonylContact O-C 3.58Å; Q839-V850 VanDerWaalsContact O-CA 3.27Å; Q839-V850 WeakPolarHBondContact O-CA 3.5Å; Q839-V850 WeakPolarHBondContact O-CG2 3.41Å; F840-V850 HydrophobicContact CD1-CB 3.95Å; F840-V850 HydrophobicContact CD1-CG2 3.72Å; F840-V850 HydrophobicContact CE1-CB 4.22Å; F840-V850 HydrophobicContact CE1-CG2 3.74Å; V850-L862 HydrophobicContact CB-CD1 4.42Å; V850-L862 HydrophobicContact CG1-CD1 3.55Å; V850-L862 HydrophobicContact CG1-CD2 4.05Å; V850-L862 HydrophobicContact CG1-CG 4.35Å; V850-L862 HydrophobicContact CG2-CD1 4.16Å; V850-M866 HydrophobicContact CG1-SD 4.31Å |
| 851 | N | 93.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.047 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 130.7 | 160.3 | -171.3 | -87.7 | 0 | 0 | 0 | 107.7 | N623 M819 I820 F834 Q839 I841 | N623-N851 WeakPolarHBondContact CB-OD1 3.45Å; N623-N851 PolarHBondContact ND2-OD1 3.01Å; M819-N851 WeakPolarHBondContact O-CB 3.42Å; M819-N851 PolarHBondContact O-ND2 2.74Å; M819-N851 VanDerWaalsContact O-ND2 3.15Å; I820-N851 PolarHBondContact O-ND2 2.82Å; F834-N851 WeakPolarHBondContact CD1-OD1 3.44Å; Q839-N851 HydrophobicContact CB-CB 4.27Å; Q839-N851 PolarHBondContact N-O 3.29Å; Q839-N851 PolarHBondContact NE2-OD1 2.87Å; Q839-N851 VanDerWaalsContact NE2-OD1 3.14Å; Q839-N851 PolarHBondContact O-N 2.7Å; I841-N851 HydrophobicContact CD1-CB 4.18Å |
| 852 | Y | 91 | Very high | 86.4 | Confident | 12 Ų | 12 | 9.8 Ų | 9.8 | 5% | 0.047 | 5% | 0.048 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 138.1 | -178.2 | 88.5 | -96 | 0 | 0 | 0 | 112.6 | N623 P624 T837 H854 L862 | N623-Y852 VanDerWaalsContact CA-O 3.24Å; N623-Y852 WeakPolarHBondContact CA-O 3.47Å; N623-Y852 VanDerWaalsContact CB-O 3.31Å; N623-Y852 WeakPolarHBondContact CB-O 3.33Å; P624-Y852 HydrophobicContact CB-CD1 3.9Å; P624-Y852 HydrophobicContact CB-CE1 3.36Å; P624-Y852 VanDerWaalsContact CD-CE1 3.4Å; P624-Y852 WeakPolarHBondContact CD-O 3.49Å; P624-Y852 HydrophobicContact CG-CD1 4.03Å; P624-Y852 HydrophobicContact CG-CE1 3.31Å; P624-Y852 HydrophobicContact CG-CE2 4.24Å; P624-Y852 VanDerWaalsContact CG-CZ 3.4Å; P624-Y852 WeakPolarHBondContact CG-OH 3.32Å; P624-Y852 PolarHBondContact O-N 3.35Å; P624-Y852 VanDerWaalsContact O-N 3.15Å; T837-Y852 CarbonylContact O-C 3.5Å; T837-Y852 VanDerWaalsContact O-CA 3.23Å; T837-Y852 WeakPolarHBondContact O-CA 3.22Å; Y852-H854 HydrophobicContact CD2-CB 4.33Å; Y852-H854 HydrophobicContact CE2-CB 3.73Å; Y852-H854 AromaticContact CE2-CD2 3.72Å; Y852-H854 AromaticContact CE2-CG 3.39Å; Y852-H854 AromaticContact CE2-ND1 3.57Å; Y852-H854 AromaticContact CZ-CD2 3.64Å; Y852-H854 AromaticContact CZ-CG 3.83Å; Y852-H854 AromaticContact CZ-NE2 3.78Å; Y852-H854 PolarHBondContact OH-CD2 3.11Å; Y852-H854 PolarHBondContact OH-CE1 2.97Å; Y852-H854 VanDerWaalsContact OH-CE1 3.25Å; Y852-H854 PolarHBondContact OH-NE2 3.43Å; Y852-L862 HydrophobicContact CD1-CD2 3.37Å; Y852-L862 HydrophobicContact CE1-CD2 3.81Å; Y852-L862 HydrophobicContact CG-CD2 3.93Å |
| 853 | E | 94.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.049 | C | C | . | . | trans | -87.2 | 124.5 | 173 | -160.3 | -67.6 | 124.6 | 0 | 0 | 109.2 | R689 T837 T855 | R689-E853 HydrophobicContact CB-CG 4.13Å; R689-E853 VanDerWaalsContact CD-CD 3.41Å; R689-E853 WeakPolarHBondContact CD-OE1 3.17Å; R689-E853 IonicContact CZ-OE1 3.35Å; R689-E853 IonicContact NE-OE1 3.54Å; R689-E853 IonicContact NH1-OE1 3.85Å; R689-E853 PolarHBondContact NH1-OE1 3.18Å; T837-E853 PolarHBondContact O-N 3.35Å; E853-T855 VanDerWaalsContact CD-OG1 3.26Å; E853-T855 WeakPolarHBondContact OE1-CB 3.25Å; E853-T855 PolarHBondContact OE1-N 3.37Å; E853-T855 PolarHBondContact OE1-OG1 3.43Å; E853-T855 WeakPolarHBondContact OE2-CB 3.4Å; E853-T855 PolarHBondContact OE2-N 2.96Å; E853-T855 PolarHBondContact OE2-OG1 3.49Å | ||
| 854 | H | 89.9 | Confident | 84.2 | Confident | 30 Ų | 30 | 11.4 Ų | 11.4 | 14% | 0.139 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -7.9 | -158.5 | -153.3 | -26.5 | 0 | 0 | 0 | 114.6 | Y611 S622 Y852 V856 A857 D858 R893 | Y611-H854 HydrophobicContact CD1-CB 4.39Å; Y611-H854 HydrophobicContact CE1-CB 3.8Å; Y611-H854 AromaticContact CE1-CG 3.94Å; Y611-H854 PolarHBondContact OH-ND1 2.81Å; S622-H854 WeakPolarHBondContact O-CB 3.22Å; Y852-H854 HydrophobicContact CD2-CB 4.33Å; Y852-H854 HydrophobicContact CE2-CB 3.73Å; Y852-H854 AromaticContact CE2-CD2 3.72Å; Y852-H854 AromaticContact CE2-CG 3.39Å; Y852-H854 AromaticContact CE2-ND1 3.57Å; Y852-H854 AromaticContact CZ-CD2 3.64Å; Y852-H854 AromaticContact CZ-CG 3.83Å; Y852-H854 AromaticContact CZ-NE2 3.78Å; Y852-H854 PolarHBondContact OH-CD2 3.11Å; Y852-H854 PolarHBondContact OH-CE1 2.97Å; Y852-H854 VanDerWaalsContact OH-CE1 3.25Å; Y852-H854 PolarHBondContact OH-NE2 3.43Å; H854-V856 VanDerWaalsContact C-N 3.33Å; H854-V856 PolarHBondContact O-N 3.47Å; H854-A857 PolarHBondContact ND1-O 3.06Å; H854-A857 VanDerWaalsContact ND1-O 3.09Å; H854-A857 VanDerWaalsContact O-O 3.1Å; H854-D858 IonicContact CE1-OD1 2.66Å; H854-R893 PolarHBondContact O-NH2 3.44Å |
| 855 | T | 92.2 | Very high | 83.7 | Confident | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -38.3 | -173.8 | -56.6 | 0 | 0 | 0 | 0 | 112.2 | I607 Y611 L612 R689 L698 E853 R893 | I607-T855 HydrophobicContact CG2-CG2 3.77Å; Y611-T855 WeakPolarHBondContact CB-OG1 3.43Å; Y611-T855 HydrophobicContact CG-CG2 4.44Å; L612-T855 HydrophobicContact CD2-CG2 3.86Å; L612-T855 HydrophobicContact CG-CG2 4.27Å; R689-T855 WeakPolarHBondContact CD-OG1 3.32Å; R689-T855 PolarHBondContact NH1-OG1 3Å; L698-T855 HydrophobicContact CB-CG2 4.48Å; L698-T855 HydrophobicContact CD1-CG2 4.25Å; L698-T855 HydrophobicContact CD2-CG2 4.15Å; E853-T855 VanDerWaalsContact CD-OG1 3.26Å; E853-T855 WeakPolarHBondContact OE1-CB 3.25Å; E853-T855 PolarHBondContact OE1-N 3.37Å; E853-T855 PolarHBondContact OE1-OG1 3.43Å; E853-T855 WeakPolarHBondContact OE2-CB 3.4Å; E853-T855 PolarHBondContact OE2-N 2.96Å; E853-T855 PolarHBondContact OE2-OG1 3.49Å; T855-R893 PolarHBondContact O-NH1 3.34Å |
| 856 | V | 87.3 | Confident | 83 | Confident | 15 Ų | 15 | 5.5 Ų | 5.5 | 9% | 0.091 | 3% | 0.031 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -41.7 | -172.1 | -178.1 | 0 | 0 | 0 | 0 | 112.2 | D683 I684 A687 L698 T837 H854 R893 | D683-V856 HydrophobicContact CB-CG1 4.31Å; I684-V856 HydrophobicContact CG2-CG1 4.44Å; A687-V856 HydrophobicContact CB-CB 4.2Å; A687-V856 HydrophobicContact CB-CG1 3.93Å; A687-V856 HydrophobicContact CB-CG2 3.23Å; L698-V856 HydrophobicContact CD1-CG2 3.58Å; L698-V856 HydrophobicContact CD2-CG2 4.41Å; T837-V856 HydrophobicContact CG2-CB 4.42Å; H854-V856 VanDerWaalsContact C-N 3.33Å; H854-V856 PolarHBondContact O-N 3.47Å; V856-R893 PolarHBondContact O-NH1 3.43Å |
| 857 | A | 84.4 | Confident | 82 | Confident | 4 Ų | 4 | 7.3 Ų | 7.3 | 3% | 0.033 | 4% | 0.04 | C | C | . | . | trans | -141.8 | 149.4 | -170 | 0 | 0 | 0 | 0 | 0 | 111.4 | I684 H854 P861 | I684-A857 HydrophobicContact CG2-CB 3.88Å; H854-A857 PolarHBondContact ND1-O 3.06Å; H854-A857 VanDerWaalsContact ND1-O 3.09Å; H854-A857 VanDerWaalsContact O-O 3.1Å; A857-P861 HydrophobicContact CB-CB 4.18Å; A857-P861 HydrophobicContact CB-CG 3.9Å | ||
| 858 | D | 81.6 | Confident | 81.2 | Confident | 5 Ų | 5 | 9.3 Ų | 9.3 | 3% | 0.027 | 5% | 0.049 | C | C | . | . | trans | -82.4 | -173 | 168.4 | -55.3 | -43.7 | 0 | 0 | 0 | 110.8 | Q680 H854 A860 P861 R893 | Q680-D858 PolarHBondContact NE2-OD2 3.48Å; Q680-D858 PolarHBondContact OE1-OD2 3.07Å; H854-D858 IonicContact CE1-OD1 2.66Å; D858-A860 PolarHBondContact O-N 2.91Å; D858-A860 VanDerWaalsContact O-N 3.15Å; D858-P861 WeakPolarHBondContact O-CD 3.26Å; D858-R893 VanDerWaalsContact CG-NE 3.28Å; D858-R893 IonicContact OD1-CZ 3.43Å; D858-R893 VanDerWaalsContact OD1-CZ 3.32Å; D858-R893 IonicContact OD1-NE 2.74Å; D858-R893 PolarHBondContact OD1-NE 3.21Å; D858-R893 VanDerWaalsContact OD1-NE 3.11Å; D858-R893 IonicContact OD1-NH2 2.68Å; D858-R893 PolarHBondContact OD1-NH2 3.01Å; D858-R893 IonicContact OD2-CZ 3.15Å; D858-R893 IonicContact OD2-NE 2.74Å; D858-R893 PolarHBondContact OD2-NE 2.97Å | ||
| 859 | G | 71.8 | Confident | 80.2 | Confident | 3 Ų | 3 | 9.3 Ų | 9.3 | 3% | 0.031 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -61.2 | -23.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L862 I863 | G859-L862 PolarHBondContact O-N 3.43Å; G859-I863 WeakPolarHBondContact O-CB 3.37Å; G859-I863 WeakPolarHBondContact O-CD1 3.27Å; G859-I863 VanDerWaalsContact O-CG1 3.29Å; G859-I863 WeakPolarHBondContact O-CG1 3.07Å; G859-I863 PolarHBondContact O-N 3.14Å |
| 860 | A | 71.9 | Confident | 79 | Confident | 6 Ų | 6 | 9.4 Ų | 9.4 | 5% | 0.05 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -62.8 | -56.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D858 L862 I863 T864 Y881 R887 | D858-A860 PolarHBondContact O-N 2.91Å; D858-A860 VanDerWaalsContact O-N 3.15Å; A860-L862 VanDerWaalsContact C-N 3.28Å; A860-L862 PolarHBondContact O-N 3.35Å; A860-I863 PolarHBondContact O-N 3.15Å; A860-I863 VanDerWaalsContact O-N 3.16Å; A860-T864 PolarHBondContact O-N 2.88Å; A860-T864 PolarHBondContact O-OG1 3.48Å; A860-T864 VanDerWaalsContact O-OG1 3.08Å; A860-Y881 HydrophobicContact CB-CD1 4.14Å; A860-R887 VanDerWaalsContact CB-NH1 3.34Å |
| 861 | P | 78.2 | Confident | 77.5 | Confident | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -57.1 | -38.7 | 176.3 | -27.9 | 35.5 | 0 | 0 | 0 | 114.4 | Q680 F681 I684 A857 D858 L865 | Q680-P861 HydrophobicContact CB-CG 3.78Å; F681-P861 HydrophobicContact CD1-CB 4.05Å; F681-P861 HydrophobicContact CD1-CG 4.4Å; F681-P861 HydrophobicContact CD2-CB 4.45Å; F681-P861 HydrophobicContact CD2-CG 3.93Å; F681-P861 HydrophobicContact CE1-CB 4.03Å; F681-P861 HydrophobicContact CE1-CG 4.34Å; F681-P861 HydrophobicContact CE2-CB 4.41Å; F681-P861 HydrophobicContact CE2-CG 3.83Å; F681-P861 HydrophobicContact CG-CB 4.26Å; F681-P861 HydrophobicContact CG-CG 4.21Å; F681-P861 HydrophobicContact CZ-CB 4.2Å; F681-P861 HydrophobicContact CZ-CG 4.04Å; I684-P861 HydrophobicContact CD1-CB 4.25Å; I684-P861 HydrophobicContact CG2-CB 4.08Å; A857-P861 HydrophobicContact CB-CB 4.18Å; A857-P861 HydrophobicContact CB-CG 3.9Å; D858-P861 WeakPolarHBondContact O-CD 3.26Å; P861-L865 WeakPolarHBondContact O-CB 3.24Å; P861-L865 PolarHBondContact O-N 3.06Å |
| 862 | L | 78.3 | Confident | 76.2 | Confident | 3 Ų | 3 | 20.8 Ų | 20.8 | 2% | 0.016 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.6 | -50.7 | 175.7 | 169.6 | 63.3 | 0 | 0 | 0 | 110.8 | F626 F838 V850 Y852 G859 A860 L865 M866 | F626-L862 HydrophobicContact CB-CD2 4.39Å; F838-L862 HydrophobicContact CD1-CD1 4.08Å; F838-L862 HydrophobicContact CE1-CB 4.12Å; F838-L862 HydrophobicContact CE1-CD1 3.67Å; F838-L862 HydrophobicContact CE1-CG 4.45Å; V850-L862 HydrophobicContact CB-CD1 4.42Å; V850-L862 HydrophobicContact CG1-CD1 3.55Å; V850-L862 HydrophobicContact CG1-CD2 4.05Å; V850-L862 HydrophobicContact CG1-CG 4.35Å; V850-L862 HydrophobicContact CG2-CD1 4.16Å; Y852-L862 HydrophobicContact CD1-CD2 3.37Å; Y852-L862 HydrophobicContact CE1-CD2 3.81Å; Y852-L862 HydrophobicContact CG-CD2 3.93Å; G859-L862 PolarHBondContact O-N 3.43Å; A860-L862 VanDerWaalsContact C-N 3.28Å; A860-L862 PolarHBondContact O-N 3.35Å; L862-L865 WeakPolarHBondContact O-CB 3.29Å; L862-L865 PolarHBondContact O-N 3Å; L862-M866 HydrophobicContact CD1-CG 3.83Å; L862-M866 HydrophobicContact CD1-SD 4.29Å; L862-M866 HydrophobicContact CG-CG 4.35Å; L862-M866 VanDerWaalsContact O-CG 3.3Å; L862-M866 WeakPolarHBondContact O-CG 3.22Å; L862-M866 PolarHBondContact O-N 2.98Å |
| 863 | I | 70.1 | Confident | 74.9 | Confident | 5 Ų | 5 | 22 Ų | 22 | 3% | 0.026 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.9 | -50.9 | -176.8 | -76.2 | 163.3 | 0 | 0 | 0 | 109.3 | G859 A860 L865 M866 E867 C879 Y881 V1000 | G859-I863 WeakPolarHBondContact O-CB 3.37Å; G859-I863 WeakPolarHBondContact O-CD1 3.27Å; G859-I863 VanDerWaalsContact O-CG1 3.29Å; G859-I863 WeakPolarHBondContact O-CG1 3.07Å; G859-I863 PolarHBondContact O-N 3.14Å; A860-I863 PolarHBondContact O-N 3.15Å; A860-I863 VanDerWaalsContact O-N 3.16Å; I863-L865 VanDerWaalsContact C-N 3.29Å; I863-L865 PolarHBondContact O-N 3.39Å; I863-M866 PolarHBondContact O-N 3.45Å; I863-E867 HydrophobicContact CG2-CG 4.33Å; I863-E867 WeakPolarHBondContact CG2-OE1 3.47Å; I863-E867 WeakPolarHBondContact O-CG 3.46Å; I863-E867 PolarHBondContact O-N 3Å; I863-C879 HydrophobicContact CG2-CB 3.56Å; I863-Y881 HydrophobicContact CD1-CD2 3.57Å; I863-Y881 HydrophobicContact CD1-CG 3.96Å; I863-V1000 HydrophobicContact CD1-CG1 3.65Å |
| 864 | T | 69.2 | Low | 73.3 | Confident | 30 Ų | 30 | 26.7 Ų | 26.7 | 18% | 0.184 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -54.1 | -41.9 | 176.4 | -53.8 | 0 | 0 | 0 | 0 | 112.6 | F653 E665 F681 A860 E867 H868 | F653-T864 HydrophobicContact CE2-CG2 4.07Å; F653-T864 HydrophobicContact CZ-CG2 3.95Å; E665-T864 PolarHBondContact OE1-OG1 3.3Å; F681-T864 HydrophobicContact CE1-CG2 3.96Å; A860-T864 PolarHBondContact O-N 2.88Å; A860-T864 PolarHBondContact O-OG1 3.48Å; A860-T864 VanDerWaalsContact O-OG1 3.08Å; T864-E867 PolarHBondContact O-N 2.9Å; T864-H868 PolarHBondContact O-N 3.35Å; T864-H868 VanDerWaalsContact O-N 3.12Å |
| 865 | L | 79.7 | Confident | 71.1 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.3 | -48.5 | 174.1 | 166.4 | 59.6 | 0 | 0 | 0 | 111.9 | V650 F653 F685 F838 F840 P861 L862 I863 E867 H868 V869 | V650-L865 HydrophobicContact CG1-CD1 4.22Å; V650-L865 HydrophobicContact CG2-CD1 4.49Å; F653-L865 HydrophobicContact CB-CD1 3.72Å; F653-L865 HydrophobicContact CD1-CB 3.93Å; F653-L865 HydrophobicContact CD1-CD1 3.41Å; F653-L865 VanDerWaalsContact CD1-CD1 3.41Å; F653-L865 HydrophobicContact CD1-CG 4.17Å; F653-L865 HydrophobicContact CE1-CB 3.68Å; F653-L865 HydrophobicContact CE1-CD1 4.1Å; F653-L865 HydrophobicContact CE1-CG 4.41Å; F653-L865 HydrophobicContact CG-CD1 3.65Å; F653-L865 HydrophobicContact CZ-CB 4.16Å; F685-L865 HydrophobicContact CE1-CD2 4.27Å; F685-L865 HydrophobicContact CZ-CD1 4.19Å; F685-L865 HydrophobicContact CZ-CD2 3.82Å; F838-L865 HydrophobicContact CD2-CD2 4.24Å; F838-L865 HydrophobicContact CE1-CD2 4.48Å; F838-L865 HydrophobicContact CE2-CD2 3.93Å; F838-L865 HydrophobicContact CZ-CD2 4.07Å; F840-L865 HydrophobicContact CE1-CD2 4.38Å; F840-L865 HydrophobicContact CZ-CD2 3.83Å; P861-L865 WeakPolarHBondContact O-CB 3.24Å; P861-L865 PolarHBondContact O-N 3.06Å; L862-L865 WeakPolarHBondContact O-CB 3.29Å; L862-L865 PolarHBondContact O-N 3Å; I863-L865 VanDerWaalsContact C-N 3.29Å; I863-L865 PolarHBondContact O-N 3.39Å; L865-E867 VanDerWaalsContact C-N 3.26Å; L865-E867 PolarHBondContact O-N 2.98Å; L865-H868 PolarHBondContact O-N 3.32Å; L865-V869 HydrophobicContact CD1-CG2 3.96Å; L865-V869 WeakPolarHBondContact O-CG2 3.38Å; L865-V869 PolarHBondContact O-N 2.82Å |
| 866 | M | 72.5 | Confident | 68.5 | Low | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.5 | -32.8 | -179.8 | -66 | -53.2 | -60.2 | 0 | 0 | 111.8 | F626 L628 F646 F840 V850 L862 I863 S870 | F626-M866 HydrophobicContact CD1-CE 4.36Å; F626-M866 HydrophobicContact CD1-CG 3.98Å; F626-M866 HydrophobicContact CE1-CB 3.97Å; F626-M866 HydrophobicContact CE1-CE 4.34Å; F626-M866 HydrophobicContact CE1-CG 3.92Å; L628-M866 HydrophobicContact CD1-CE 3.33Å; L628-M866 HydrophobicContact CD2-CE 4.21Å; L628-M866 HydrophobicContact CG-CE 3.74Å; F646-M866 HydrophobicContact CE2-CE 4.34Å; F646-M866 HydrophobicContact CZ-CE 4.19Å; F840-M866 HydrophobicContact CD1-SD 4.36Å; F840-M866 HydrophobicContact CE1-SD 3.86Å; V850-M866 HydrophobicContact CG1-SD 4.31Å; L862-M866 HydrophobicContact CD1-CG 3.83Å; L862-M866 HydrophobicContact CD1-SD 4.29Å; L862-M866 HydrophobicContact CG-CG 4.35Å; L862-M866 VanDerWaalsContact O-CG 3.3Å; L862-M866 WeakPolarHBondContact O-CG 3.22Å; L862-M866 PolarHBondContact O-N 2.98Å; I863-M866 PolarHBondContact O-N 3.45Å; M866-S870 WeakPolarHBondContact O-CB 3.46Å; M866-S870 PolarHBondContact O-N 2.96Å |
| 867 | E | 64.9 | Low | 65.9 | Low | 37 Ų | 37 | 38.4 Ų | 38.4 | 17% | 0.173 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.1 | -43.7 | 174.1 | -20.4 | -167.3 | 152.8 | 0 | 0 | 111.5 | I863 T864 L865 V869 S870 F871 L878 C879 | I863-E867 HydrophobicContact CG2-CG 4.33Å; I863-E867 WeakPolarHBondContact CG2-OE1 3.47Å; I863-E867 WeakPolarHBondContact O-CG 3.46Å; I863-E867 PolarHBondContact O-N 3Å; T864-E867 PolarHBondContact O-N 2.9Å; L865-E867 VanDerWaalsContact C-N 3.26Å; L865-E867 PolarHBondContact O-N 2.98Å; E867-V869 VanDerWaalsContact C-N 3.33Å; E867-V869 PolarHBondContact O-N 2.75Å; E867-S870 PolarHBondContact O-N 3.02Å; E867-F871 WeakPolarHBondContact O-CB 3.35Å; E867-F871 PolarHBondContact O-N 2.78Å; E867-L878 VanDerWaalsContact CB-O 3.23Å; E867-L878 WeakPolarHBondContact CB-O 3.33Å; E867-L878 WeakPolarHBondContact CG-O 3.39Å; E867-L878 VanDerWaalsContact OE1-C 3.23Å; E867-C879 WeakPolarHBondContact OE1-CA 3.41Å; E867-C879 VanDerWaalsContact OE1-CB 3.31Å; E867-C879 WeakPolarHBondContact OE1-CB 3.37Å; E867-C879 PolarHBondContact OE1-N 3.29Å |
| 868 | H | 68.5 | Low | 64 | Low | 42 Ų | 42 | 38.9 Ų | 38.9 | 19% | 0.194 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.8 | -47.4 | 177.9 | -173.7 | 84 | 0 | 0 | 0 | 111 | D652 F653 T864 L865 F871 R872 | D652-H868 IonicContact OD2-CE1 3.16Å; D652-H868 IonicContact OD2-NE2 2.73Å; D652-H868 PolarHBondContact OD2-NE2 3.28Å; F653-H868 HydrophobicContact CD2-CB 3.5Å; F653-H868 VanDerWaalsContact CD2-CB 3.5Å; F653-H868 AromaticContact CD2-CD2 3.92Å; F653-H868 AromaticContact CD2-CG 3.55Å; F653-H868 HydrophobicContact CE2-CB 4.01Å; F653-H868 HydrophobicContact CG-CB 4.31Å; T864-H868 PolarHBondContact O-N 3.35Å; T864-H868 VanDerWaalsContact O-N 3.12Å; L865-H868 PolarHBondContact O-N 3.32Å; H868-F871 PolarHBondContact O-N 2.86Å; H868-R872 VanDerWaalsContact O-CG 3.3Å; H868-R872 WeakPolarHBondContact O-CG 3.44Å; H868-R872 PolarHBondContact O-N 2.68Å |
| 869 | V | 66.1 | Low | 61.8 | Low | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.6 | -43.9 | 178.3 | 178 | 0 | 0 | 0 | 0 | 110.9 | F646 V650 L865 E867 F871 R872 L873 | F646-V869 HydrophobicContact CD2-CG1 3.63Å; F646-V869 HydrophobicContact CE2-CG1 3.61Å; F646-V869 HydrophobicContact CG-CG1 4.11Å; F646-V869 HydrophobicContact CZ-CG1 4.07Å; V650-V869 HydrophobicContact CG2-CG2 3.81Å; L865-V869 HydrophobicContact CD1-CG2 3.96Å; L865-V869 WeakPolarHBondContact O-CG2 3.38Å; L865-V869 PolarHBondContact O-N 2.82Å; E867-V869 VanDerWaalsContact C-N 3.33Å; E867-V869 PolarHBondContact O-N 2.75Å; V869-F871 VanDerWaalsContact C-N 3.34Å; V869-F871 PolarHBondContact O-N 3.09Å; V869-R872 PolarHBondContact O-N 3.03Å; V869-L873 HydrophobicContact CG1-CD1 3.76Å; V869-L873 HydrophobicContact CG1-CG 4.43Å; V869-L873 WeakPolarHBondContact O-CG 3.48Å; V869-L873 PolarHBondContact O-N 3.08Å |
| 870 | S | 62.7 | Low | 60 | Low | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.014 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.5 | -38.6 | 177.6 | -161.2 | 0 | 0 | 0 | 0 | 112.2 | M866 E867 L873 H874 L878 R1015 | M866-S870 WeakPolarHBondContact O-CB 3.46Å; M866-S870 PolarHBondContact O-N 2.96Å; E867-S870 PolarHBondContact O-N 3.02Å; S870-L873 PolarHBondContact O-N 3.21Å; S870-H874 WeakPolarHBondContact O-CB 3.28Å; S870-H874 PolarHBondContact O-N 2.77Å; S870-L878 VanDerWaalsContact OG-CD1 3.29Å; S870-L878 WeakPolarHBondContact OG-CD1 3.25Å; S870-R1015 PolarHBondContact OG-NH2 3.48Å |
| 871 | F | 60.4 | Low | 58.2 | Low | 100 Ų | 100 | 43.6 Ų | 43.6 | 44% | 0.439 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.6 | -40.9 | 174.1 | -179.6 | -94.1 | 0 | 0 | 0 | 111.5 | E867 H868 V869 L873 G875 R876 P877 | E867-F871 WeakPolarHBondContact O-CB 3.35Å; E867-F871 PolarHBondContact O-N 2.78Å; H868-F871 PolarHBondContact O-N 2.86Å; V869-F871 VanDerWaalsContact C-N 3.34Å; V869-F871 PolarHBondContact O-N 3.09Å; F871-L873 VanDerWaalsContact C-N 3.34Å; F871-G875 WeakPolarHBondContact O-CA 3.26Å; F871-G875 PolarHBondContact O-N 3.18Å; F871-R876 WeakPolarHBondContact CA-O 3.34Å; F871-R876 VanDerWaalsContact CD2-C 3.47Å; F871-P877 HydrophobicContact CD2-CB 4.39Å |
| 872 | R | 65.8 | Low | 56.2 | Low | 140 Ų | 140 | 47 Ų | 47 | 53% | 0.528 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67.4 | -34.9 | 177 | -68.1 | -70.7 | -70.5 | 170.7 | -3.7 | 112.6 | D652 H868 V869 | D652-R872 IonicContact OD2-NE 2.69Å; H868-R872 VanDerWaalsContact O-CG 3.3Å; H868-R872 WeakPolarHBondContact O-CG 3.44Å; H868-R872 PolarHBondContact O-N 2.68Å; V869-R872 PolarHBondContact O-N 3.03Å |
| 873 | L | 62.3 | Low | 55.3 | Low | 36 Ų | 36 | 48.3 Ų | 48.3 | 19% | 0.188 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -79.7 | -35.7 | 179.7 | -70.4 | 167.6 | 0 | 0 | 0 | 113.3 | Y642 T645 F646 V869 S870 F871 | Y642-L873 HydrophobicContact CD2-CD2 4.24Å; Y642-L873 HydrophobicContact CE2-CD1 3.96Å; Y642-L873 HydrophobicContact CE2-CD2 3.93Å; Y642-L873 HydrophobicContact CE2-CG 4.45Å; T645-L873 HydrophobicContact CG2-CD2 3.48Å; T645-L873 VanDerWaalsContact CG2-CD2 3.48Å; F646-L873 HydrophobicContact CD2-CD1 3.91Å; V869-L873 HydrophobicContact CG1-CD1 3.76Å; V869-L873 HydrophobicContact CG1-CG 4.43Å; V869-L873 WeakPolarHBondContact O-CG 3.48Å; V869-L873 PolarHBondContact O-N 3.08Å; S870-L873 PolarHBondContact O-N 3.21Å; F871-L873 VanDerWaalsContact C-N 3.34Å |
| 874 | H | 62.1 | Low | 55.2 | Low | 99 Ų | 99 | 48.4 Ų | 48.4 | 46% | 0.458 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -130 | -3 | -167.5 | -50.7 | -56.5 | 0 | 0 | 0 | 114.7 | S870 | S870-H874 WeakPolarHBondContact O-CB 3.28Å; S870-H874 PolarHBondContact O-N 2.77Å |
| 875 | G | 43.6 | Very low | 55.8 | Low | 50 Ų | 50 | 48.3 Ų | 48.3 | 52% | 0.515 | 25% | 0.245 | S | C | . | . | S | Bend | trans | 75.6 | 22.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | F871 | F871-G875 WeakPolarHBondContact O-CA 3.26Å; F871-G875 PolarHBondContact O-N 3.18Å |
| 876 | R | 36.9 | Very low | 56.1 | Low | 159 Ų | 159 | 48.5 Ų | 48.5 | 60% | 0.6 | 25% | 0.246 | S | C | * | . | trans | -140.1 | 133.1 | -174.6 | -57.7 | -177.9 | -173.9 | -178 | 0.8 | 113.7 | F871 | F871-R876 WeakPolarHBondContact CA-O 3.34Å; F871-R876 VanDerWaalsContact CD2-C 3.47Å | ||
| 877 | P | 32.9 | Very low | 56.8 | Low | 82 Ų | 82 | 48.8 Ų | 48.8 | 53% | 0.532 | 25% | 0.247 | S | C | . | . | trans | -86.5 | 146.4 | -178.9 | 33.4 | -33.6 | 0 | 0 | 0 | 112.5 | F871 | F871-P877 HydrophobicContact CD2-CB 4.39Š| ||
| 878 | L | 43.5 | Very low | 57.8 | Low | 15 Ų | 15 | 48 Ų | 48 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | trans | -160 | 112 | -159.6 | -68.7 | 159.1 | 0 | 0 | 0 | 116.2 | E867 S870 L1011 R1015 | E867-L878 VanDerWaalsContact CB-O 3.23Å; E867-L878 WeakPolarHBondContact CB-O 3.33Å; E867-L878 WeakPolarHBondContact CG-O 3.39Å; E867-L878 VanDerWaalsContact OE1-C 3.23Å; S870-L878 VanDerWaalsContact OG-CD1 3.29Å; S870-L878 WeakPolarHBondContact OG-CD1 3.25Å; L878-L1011 HydrophobicContact CD2-CD1 3.7Å; L878-L1011 HydrophobicContact CD2-CD2 3.76Å; L878-L1011 HydrophobicContact CD2-CG 3.92Å; L878-R1015 VanDerWaalsContact CB-NH1 3.31Å; L878-R1015 VanDerWaalsContact CD1-CZ 3.46Å | ||
| 879 | C | 36.4 | Very low | 58.8 | Low | 13 Ų | 13 | 46.7 Ų | 46.7 | 9% | 0.088 | 24% | 0.236 | C | C | . | . | trans | 109.2 | 163.6 | 163.5 | -63.7 | 0 | 0 | 0 | 0 | 117.1 | I863 E867 L1002 G1003 | I863-C879 HydrophobicContact CG2-CB 3.56Å; E867-C879 WeakPolarHBondContact OE1-CA 3.41Å; E867-C879 VanDerWaalsContact OE1-CB 3.31Å; E867-C879 WeakPolarHBondContact OE1-CB 3.37Å; E867-C879 PolarHBondContact OE1-N 3.29Å; C879-L1002 HydrophobicContact CB-CD2 4.06Å; C879-L1002 HydrophobicContact CB-CG 4.17Å; C879-L1002 VanDerWaalsContact SG-CD2 3.53Å; C879-L1002 VanDerWaalsContact SG-CG 3.52Å; C879-G1003 WeakPolarHBondContact O-CA 3.31Å; C879-G1003 PolarHBondContact O-N 3.25Å; C879-G1003 VanDerWaalsContact O-N 3.12Å | ||
| 880 | T | 33.3 | Very low | 59.9 | Low | 62 Ų | 62 | 47.6 Ų | 47.6 | 38% | 0.38 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | 115.7 | 170.6 | -70.5 | 0 | 0 | 0 | 0 | 110.2 | T1001 G1003 | T880-T1001 CarbonylContact C-O 3.54Å; T880-T1001 PolarHBondContact N-O 3.06Å; T880-T1001 CarbonylContact O-C 3.58Å; T880-T1001 WeakPolarHBondContact O-CA 3.36Å; T880-T1001 WeakPolarHBondContact O-CB 3.35Å; T880-T1001 PolarHBondContact O-N 3.29Å; T880-G1003 VanDerWaalsContact CB-N 3.33Å; T880-G1003 VanDerWaalsContact N-N 3.19Å; T880-G1003 WeakPolarHBondContact OG1-CA 3.42Å; T880-G1003 PolarHBondContact OG1-N 2.93Å |
| 881 | Y | 34.6 | Very low | 61.1 | Low | 37 Ų | 37 | 51.3 Ų | 51.3 | 15% | 0.145 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 135.6 | -175.6 | -176.2 | -102.9 | 0 | 0 | 0 | 113.5 | A860 I863 S883 V1000 | A860-Y881 HydrophobicContact CB-CD1 4.14Å; I863-Y881 HydrophobicContact CD1-CD2 3.57Å; I863-Y881 HydrophobicContact CD1-CG 3.96Å; Y881-S883 VanDerWaalsContact OH-CB 3.31Å; Y881-S883 WeakPolarHBondContact OH-CB 3.44Å; Y881-V1000 HydrophobicContact CD2-CG1 4.38Å; Y881-V1000 HydrophobicContact CD2-CG2 4.05Å; Y881-V1000 HydrophobicContact CE2-CG2 4.04Å |
| 882 | E | 36.3 | Very low | 62.4 | Low | 73 Ų | 73 | 46.6 Ų | 46.6 | 34% | 0.341 | 24% | 0.235 | S | C | . | . | trans | -142.4 | 85.8 | 173.1 | -158.4 | 172.7 | -153.2 | 0 | 0 | 110.4 | T668 Q999 | T668-E882 VanDerWaalsContact OG1-CD 3.3Å; T668-E882 PolarHBondContact OG1-OE1 2.98Å; E882-Q999 CarbonylContact C-O 3.58Å | ||
| 883 | S | 59 | Low | 63.4 | Low | 29 Ų | 29 | 40.2 Ų | 40.2 | 20% | 0.203 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -89.1 | 176.1 | 154.7 | -174.2 | 0 | 0 | 0 | 0 | 108.6 | Y881 S885 | Y881-S883 VanDerWaalsContact OH-CB 3.31Å; Y881-S883 WeakPolarHBondContact OH-CB 3.44Å; S883-S885 PolarHBondContact O-N 3.45Å |
| 884 | A | 69.2 | Low | 64.6 | Low | 8 Ų | 8 | 39.4 Ų | 39.4 | 7% | 0.066 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -66.7 | 74.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E895 L897 M951 V954 | A884-E895 PolarHBondContact O-N 2.66Å; A884-L897 HydrophobicContact CB-CB 4.48Å; A884-M951 HydrophobicContact CB-CE 4.05Å; A884-M951 HydrophobicContact CB-SD 3.78Å; A884-V954 HydrophobicContact CB-CG1 3.52Å |
| 885 | S | 81.1 | Confident | 65.8 | Low | 27 Ų | 27 | 35.1 Ų | 35.1 | 19% | 0.189 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -84.9 | 129.2 | -167.1 | -175.4 | 0 | 0 | 0 | 0 | 110.1 | S883 R887 | S883-S885 PolarHBondContact O-N 3.45Å; S885-R887 PolarHBondContact O-N 3.15Å; S885-R887 WeakPolarHBondContact OG-CB 3.34Å; S885-R887 VanDerWaalsContact OG-CG 3.26Å; S885-R887 WeakPolarHBondContact OG-CG 3.46Å; S885-R887 PolarHBondContact OG-N 3.42Å |
| 886 | M | 85.9 | Confident | 67.6 | Low | 5 Ų | 5 | 34.9 Ų | 34.9 | 3% | 0.025 | 18% | 0.175 | C | C | . | . | trans | -88.7 | 13.5 | 171.1 | -71.8 | -152.9 | -55 | 0 | 0 | 112.3 | I602 R888 F889 G892 R893 E895 N962 | I602-M886 HydrophobicContact CG2-CE 4.04Å; M886-R888 PolarHBondContact O-N 3.31Å; M886-F889 HydrophobicContact CB-CD2 4.13Å; M886-F889 WeakPolarHBondContact O-CD2 3.4Å; M886-F889 PolarHBondContact O-N 3.17Å; M886-G892 WeakPolarHBondContact O-CA 3.1Å; M886-R893 PolarHBondContact N-O 3.09Å; M886-E895 HydrophobicContact CE-CB 4.44Å; M886-E895 HydrophobicContact CG-CB 3.86Å; M886-E895 HydrophobicContact SD-CB 3.83Å; M886-N962 WeakPolarHBondContact CE-ND2 3.33Å | ||
| 887 | R | 86.9 | Confident | 69.7 | Low | 8 Ų | 8 | 29 Ų | 29 | 3% | 0.03 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -9 | 179.6 | -75.6 | 175.8 | 62.7 | -150.8 | -3.6 | 113.7 | E665 L676 S677 M678 A860 S885 F889 G892 | E665-R887 IonicContact OE2-CZ 3.03Å; E665-R887 IonicContact OE2-NH1 3.89Å; E665-R887 PolarHBondContact OE2-NH1 3.25Å; E665-R887 IonicContact OE2-NH2 2.61Å; E665-R887 PolarHBondContact OE2-NH2 3.46Å; L676-R887 CarbonylContact C-O 3.53Å; L676-R887 WeakPolarHBondContact CA-O 3.09Å; L676-R887 HydrophobicContact CB-CB 4.08Å; L676-R887 HydrophobicContact CD2-CB 4.09Å; S677-R887 PolarHBondContact N-O 3.15Å; S677-R887 PolarHBondContact O-NE 3.33Å; S677-R887 PolarHBondContact O-NH2 2.96Å; S677-R887 VanDerWaalsContact O-NH2 3.12Å; M678-R887 PolarHBondContact SD-NH2 3.2Å; M678-R887 VanDerWaalsContact SD-NH2 3.39Å; A860-R887 VanDerWaalsContact CB-NH1 3.34Å; S885-R887 PolarHBondContact O-N 3.15Å; S885-R887 WeakPolarHBondContact OG-CB 3.34Å; S885-R887 VanDerWaalsContact OG-CG 3.26Å; S885-R887 WeakPolarHBondContact OG-CG 3.46Å; S885-R887 PolarHBondContact OG-N 3.42Å; R887-F889 PolarHBondContact O-N 3.29Å; R887-G892 VanDerWaalsContact CG-O 3.24Å; R887-G892 WeakPolarHBondContact CG-O 3.16Å |
| 888 | R | 86.1 | Confident | 71.9 | Confident | 21 Ų | 21 | 26.4 Ų | 26.4 | 8% | 0.079 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -22.2 | 166 | -64.8 | 177.8 | -178 | -116.8 | 1.4 | 112.7 | T668 Q674 L676 M886 | T668-R888 PolarHBondContact O-NH2 3.17Å; Q674-R888 PolarHBondContact NE2-O 3.21Å; L676-R888 HydrophobicContact CD2-CG 3.89Å; M886-R888 PolarHBondContact O-N 3.31Å |
| 889 | F | 89.8 | Confident | 73.1 | Confident | 13 Ų | 13 | 28.2 Ų | 28.2 | 6% | 0.057 | 15% | 0.152 | C | C | . | . | B | Isolated β-bridge | trans | -101.2 | 151.9 | 175.8 | -54.2 | -69.5 | 0 | 0 | 0 | 111.7 | Q542 S543 P544 P545 S677 M886 R887 K891 G892 T956 | Q542-F889 HydrophobicContact CB-CD1 4.23Å; Q542-F889 VanDerWaalsContact O-CA 3.31Å; Q542-F889 WeakPolarHBondContact O-CA 3.36Å; S543-F889 WeakPolarHBondContact O-CD1 3.5Å; P544-F889 HydrophobicContact CB-CB 4.34Å; P544-F889 HydrophobicContact CB-CD2 4.41Å; P544-F889 HydrophobicContact CB-CG 4.2Å; P544-F889 HydrophobicContact CG-CB 3.73Å; P544-F889 HydrophobicContact CG-CG 4.13Å; P545-F889 HydrophobicContact CG-CZ 4.36Å; S677-F889 WeakPolarHBondContact CB-O 2.87Å; M886-F889 HydrophobicContact CB-CD2 4.13Å; M886-F889 WeakPolarHBondContact O-CD2 3.4Å; M886-F889 PolarHBondContact O-N 3.17Å; R887-F889 PolarHBondContact O-N 3.29Å; F889-K891 PolarHBondContact O-N 3.11Å; F889-G892 PolarHBondContact O-N 3.48Å; F889-T956 VanDerWaalsContact CZ-O 3.26Å; F889-T956 WeakPolarHBondContact CZ-O 3.44Å |
| 890 | F | 89.4 | Confident | 74.7 | Confident | 20 Ų | 20 | 29.9 Ų | 29.9 | 9% | 0.088 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 124.2 | 177.2 | 177.7 | -104.3 | 0 | 0 | 0 | 110.8 | E537 Q538 L541 Q542 K599 N600 G892 | E537-F890 HydrophobicContact CB-CD2 4.37Å; E537-F890 HydrophobicContact CB-CE2 4.3Å; Q538-F890 HydrophobicContact CB-CD2 4.28Å; Q538-F890 HydrophobicContact CB-CE2 3.8Å; Q538-F890 HydrophobicContact CB-CZ 4.05Å; Q538-F890 HydrophobicContact CG-CE1 4.48Å; Q538-F890 HydrophobicContact CG-CE2 4.35Å; Q538-F890 HydrophobicContact CG-CZ 4.21Å; L541-F890 HydrophobicContact CB-CB 3.94Å; Q542-F890 PolarHBondContact O-N 2.98Å; K599-F890 HydrophobicContact CB-CD1 3.85Å; K599-F890 HydrophobicContact CB-CE1 4.1Å; K599-F890 HydrophobicContact CG-CB 4.08Å; K599-F890 HydrophobicContact CG-CD1 3.33Å; K599-F890 HydrophobicContact CG-CE1 3.89Å; K599-F890 HydrophobicContact CG-CG 3.84Å; N600-F890 HydrophobicContact CB-CD1 4.48Å; N600-F890 WeakPolarHBondContact CB-O 3.48Å; N600-F890 PolarHBondContact ND2-O 3.46Å; F890-G892 PolarHBondContact O-N 3.25Å; F890-G892 VanDerWaalsContact O-N 3.12Å |
| 891 | K | 87.7 | Confident | 76.6 | Confident | 81 Ų | 81 | 27.4 Ų | 27.4 | 35% | 0.352 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 17.6 | -174.8 | -64.8 | -170.9 | 175 | -167.9 | 0 | 115 | N600 T603 S677 F889 R893 | N600-K891 HydrophobicContact CB-CB 4.38Å; N600-K891 PolarHBondContact ND2-O 3.15Å; N600-K891 VanDerWaalsContact ND2-O 3.17Å; T603-K891 PolarHBondContact OG1-O 2.94Å; T603-K891 VanDerWaalsContact OG1-O 3.09Å; S677-K891 PolarHBondContact OG-N 3.39Å; F889-K891 PolarHBondContact O-N 3.11Å; K891-R893 PolarHBondContact O-N 3.47Å |
| 892 | G | 87.3 | Confident | 78.4 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -61.8 | 136.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | N600 Q680 M886 R887 F889 F890 | N600-G892 PolarHBondContact ND2-N 2.82Å; Q680-G892 PolarHBondContact NE2-O 2.94Å; Q680-G892 VanDerWaalsContact NE2-O 3.16Å; M886-G892 WeakPolarHBondContact O-CA 3.1Å; R887-G892 VanDerWaalsContact CG-O 3.24Å; R887-G892 WeakPolarHBondContact CG-O 3.16Å; F889-G892 PolarHBondContact O-N 3.48Å; F890-G892 PolarHBondContact O-N 3.25Å; F890-G892 VanDerWaalsContact O-N 3.12Å | ||
| 893 | R | 87.8 | Confident | 80.2 | Confident | 7 Ų | 7 | 26.4 Ų | 26.4 | 3% | 0.026 | 15% | 0.152 | C | C | . | . | trans | -99.2 | -105 | 175 | -66.4 | -64.7 | -61.1 | -90.3 | -2.7 | 109.7 | T603 H854 T855 V856 D858 M886 K891 | T603-R893 HydrophobicContact CG2-CG 4Å; H854-R893 PolarHBondContact O-NH2 3.44Å; T855-R893 PolarHBondContact O-NH1 3.34Å; V856-R893 PolarHBondContact O-NH1 3.43Å; D858-R893 VanDerWaalsContact CG-NE 3.28Å; D858-R893 IonicContact OD1-CZ 3.43Å; D858-R893 VanDerWaalsContact OD1-CZ 3.32Å; D858-R893 IonicContact OD1-NE 2.74Å; D858-R893 PolarHBondContact OD1-NE 3.21Å; D858-R893 VanDerWaalsContact OD1-NE 3.11Å; D858-R893 IonicContact OD1-NH2 2.68Å; D858-R893 PolarHBondContact OD1-NH2 3.01Å; D858-R893 IonicContact OD2-CZ 3.15Å; D858-R893 IonicContact OD2-NE 2.74Å; D858-R893 PolarHBondContact OD2-NE 2.97Å; M886-R893 PolarHBondContact N-O 3.09Å; K891-R893 PolarHBondContact O-N 3.47Å | ||
| 894 | V | 86.4 | Confident | 80.4 | Confident | 18 Ų | 18 | 26.1 Ų | 26.1 | 11% | 0.109 | 15% | 0.151 | C | C | . | . | B | Isolated β-bridge | trans | -136.1 | 159.9 | -177.1 | -66.5 | 0 | 0 | 0 | 0 | 109.9 | W606 N962 | W606-V894 HydrophobicContact CH2-CG2 4.46Å; W606-V894 HydrophobicContact CZ2-CG2 3.58Å; V894-N962 PolarHBondContact O-ND2 3.27Å; V894-N962 VanDerWaalsContact O-ND2 3.17Å |
| 895 | E | 86.8 | Confident | 80.3 | Confident | 9 Ų | 9 | 29 Ų | 29 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | trans | -127.4 | 153.7 | 166 | 175.2 | 66.6 | -84.7 | 0 | 0 | 107.6 | A884 M886 V954 D961 N962 | A884-E895 PolarHBondContact O-N 2.66Å; M886-E895 HydrophobicContact CE-CB 4.44Å; M886-E895 HydrophobicContact CG-CB 3.86Å; M886-E895 HydrophobicContact SD-CB 3.83Å; E895-V954 HydrophobicContact CB-CG1 3.62Å; E895-V954 HydrophobicContact CG-CB 4.25Å; E895-V954 HydrophobicContact CG-CG1 3.64Å; E895-V954 HydrophobicContact CG-CG2 4.25Å; E895-D961 WeakPolarHBondContact OE1-CB 3.25Å; E895-N962 PolarHBondContact OE1-N 2.91Å; E895-N962 PolarHBondContact OE1-ND2 2.97Å; E895-N962 WeakPolarHBondContact OE2-CB 3.47Å; E895-N962 VanDerWaalsContact OE2-CG 3.29Å; E895-N962 PolarHBondContact OE2-ND2 3.43Å | ||
| 896 | N | 82.7 | Confident | 79.7 | Confident | 45 Ų | 45 | 32.4 Ų | 32.4 | 24% | 0.241 | 18% | 0.178 | C | C | . | . | trans | -82.6 | 130.1 | -178.5 | -167.3 | 14.2 | 0 | 0 | 0 | 112 | V954 D961 F993 | N896-V954 WeakPolarHBondContact O-CG2 3.15Å; N896-D961 HydrophobicContact CB-CB 4Å; N896-D961 VanDerWaalsContact CB-CG 3.46Å; N896-D961 VanDerWaalsContact CB-OD1 3.31Å; N896-D961 WeakPolarHBondContact CB-OD1 3.38Å; N896-D961 PolarHBondContact ND2-OD1 3.06Å; N896-F993 WeakPolarHBondContact ND2-CE1 3.44Å; N896-F993 WeakPolarHBondContact ND2-CZ 3.32Å | ||
| 897 | L | 81.1 | Confident | 78.8 | Confident | 37 Ų | 37 | 33.9 Ų | 33.9 | 19% | 0.194 | 18% | 0.183 | C | C | . | . | trans | -94.9 | 102.9 | 169.3 | 179.7 | 62.6 | 0 | 0 | 0 | 109.8 | A884 A899 H947 L950 M951 V954 | A884-L897 HydrophobicContact CB-CB 4.48Å; L897-A899 PolarHBondContact O-N 3.31Å; L897-H947 WeakPolarHBondContact CD2-NE2 3.43Å; L897-L950 HydrophobicContact CD1-CB 3.61Å; L897-M951 HydrophobicContact CD1-CB 4.45Å; L897-M951 HydrophobicContact CD2-CB 4.22Å; L897-M951 HydrophobicContact CD2-SD 3.93Å; L897-V954 HydrophobicContact CD1-CG2 4.11Å | ||
| 898 | R | 78.7 | Confident | 77.7 | Confident | 27 Ų | 27 | 36.9 Ų | 36.9 | 10% | 0.102 | 20% | 0.202 | C | C | . | . | trans | -77.5 | 87.4 | 178.5 | -67.9 | -173.7 | 175.7 | -84.9 | -5.8 | 111.4 | Y559 A900 D961 M990 | Y559-R898 HydrophobicContact CD2-CB 4.01Å; Y559-R898 HydrophobicContact CD2-CG 4.37Å; Y559-R898 HydrophobicContact CE2-CB 4.04Å; Y559-R898 HydrophobicContact CE2-CG 4.21Å; Y559-R898 PolarHBondContact OH-NH1 3.09Å; R898-A900 VanDerWaalsContact C-N 3.26Å; R898-A900 PolarHBondContact O-N 3.01Å; R898-D961 IonicContact CZ-OD1 3.91Å; R898-D961 IonicContact CZ-OD2 3.87Å; R898-D961 IonicContact NE-OD1 3.84Å; R898-D961 PolarHBondContact NE-OD1 3.2Å; R898-D961 IonicContact NE-OD2 3.7Å; R898-D961 PolarHBondContact NE-OD2 2.88Å; R898-D961 IonicContact NH2-OD1 2.89Å; R898-D961 PolarHBondContact NH2-OD1 2.85Å; R898-D961 IonicContact NH2-OD2 3.7Å; R898-D961 PolarHBondContact NH2-OD2 2.96Å; R898-M990 VanDerWaalsContact CZ-CG 3.44Å; R898-M990 PolarHBondContact NH1-O 3.01Å; R898-M990 VanDerWaalsContact NH2-CG 3.32Å; R898-M990 PolarHBondContact NH2-O 2.95Å | ||
| 899 | A | 68.2 | Low | 76.7 | Confident | 53 Ų | 53 | 41.5 Ų | 41.5 | 44% | 0.438 | 23% | 0.225 | S | C | . | . | trans | -67.1 | -21.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L897 T901 | L897-A899 PolarHBondContact O-N 3.31Å; A899-T901 PolarHBondContact O-N 3Å | ||
| 900 | A | 71.2 | Confident | 75.6 | Confident | 47 Ų | 47 | 43.9 Ų | 43.9 | 39% | 0.388 | 24% | 0.24 | S | C | . | . | trans | -78 | 87 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y559 R898 | Y559-A900 HydrophobicContact CE2-CB 4.35Å; R898-A900 VanDerWaalsContact C-N 3.26Å; R898-A900 PolarHBondContact O-N 3.01Å | ||
| 901 | T | 73.2 | Confident | 74.3 | Confident | 10 Ų | 10 | 44.3 Ų | 44.3 | 6% | 0.061 | 24% | 0.243 | C | C | . | . | trans | -107.8 | 159.6 | -178 | 64.7 | 0 | 0 | 0 | 0 | 111.5 | A899 Q903 A904 L905 L950 | A899-T901 PolarHBondContact O-N 3Å; T901-Q903 PolarHBondContact O-N 3.24Å; T901-A904 PolarHBondContact O-N 3.39Å; T901-A904 VanDerWaalsContact O-N 3.14Å; T901-A904 WeakPolarHBondContact OG1-CB 3.43Å; T901-A904 PolarHBondContact OG1-N 3.32Å; T901-L905 PolarHBondContact O-N 3.11Å; T901-L950 HydrophobicContact CG2-CD1 3.46Å; T901-L950 VanDerWaalsContact CG2-CD1 3.46Å | ||
| 902 | P | 71.5 | Confident | 73.1 | Confident | 45 Ų | 45 | 46.1 Ų | 46.1 | 29% | 0.292 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -54.8 | -35.7 | 172.7 | -26.4 | 34.6 | 0 | 0 | 0 | 113.2 | V562 L905 Q906 | V562-P902 HydrophobicContact CG2-CB 4.3Å; V562-P902 HydrophobicContact CG2-CG 3.66Å; P902-L905 PolarHBondContact O-N 3.44Å; P902-Q906 WeakPolarHBondContact O-CB 3.37Å; P902-Q906 PolarHBondContact O-N 3.3Å |
| 903 | Q | 74.9 | Confident | 72 | Confident | 45 Ų | 45 | 50.1 Ų | 50.1 | 21% | 0.21 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.7 | -46.5 | 176.9 | -62.8 | 81.3 | -9.6 | 0 | 0 | 111 | T901 L905 Q906 W907 L942 T943 H946 | T901-Q903 PolarHBondContact O-N 3.24Å; Q903-L905 VanDerWaalsContact C-N 3.34Å; Q903-L905 PolarHBondContact O-N 2.88Å; Q903-Q906 PolarHBondContact O-N 3.39Å; Q903-W907 WeakPolarHBondContact O-CB 3.22Å; Q903-W907 PolarHBondContact O-N 3.39Å; Q903-L942 HydrophobicContact CB-CD2 4.22Å; Q903-L942 HydrophobicContact CG-CD2 3.57Å; Q903-T943 HydrophobicContact CB-CG2 4.44Å; Q903-T943 PolarHBondContact O-OG1 3.1Å; Q903-H946 HydrophobicContact CG-CB 4.46Å; Q903-H946 PolarHBondContact OE1-CD2 3.46Å; Q903-H946 VanDerWaalsContact OE1-CD2 3.23Å; Q903-H946 PolarHBondContact OE1-NE2 3.15Å |
| 904 | A | 62.5 | Low | 70.3 | Confident | 22 Ų | 22 | 58.8 Ų | 58.8 | 18% | 0.182 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | T901 W907 V908 T943 | T901-A904 PolarHBondContact O-N 3.39Å; T901-A904 VanDerWaalsContact O-N 3.14Å; T901-A904 WeakPolarHBondContact OG1-CB 3.43Å; T901-A904 PolarHBondContact OG1-N 3.32Å; A904-W907 WeakPolarHBondContact O-CB 3.25Å; A904-W907 PolarHBondContact O-N 3.1Å; A904-V908 WeakPolarHBondContact O-CG2 3.39Å; A904-V908 PolarHBondContact O-N 3.04Å; A904-T943 HydrophobicContact CB-CG2 4.16Å |
| 905 | L | 67.9 | Low | 68.5 | Low | 68 Ų | 68 | 64.5 Ų | 64.5 | 36% | 0.356 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.9 | -49 | 175.1 | 178.1 | 61.6 | 0 | 0 | 0 | 111.3 | V562 T901 P902 Q903 W907 V908 E909 | V562-L905 HydrophobicContact CG1-CB 4.15Å; V562-L905 HydrophobicContact CG1-CD2 3.99Å; T901-L905 PolarHBondContact O-N 3.11Å; P902-L905 PolarHBondContact O-N 3.44Å; Q903-L905 VanDerWaalsContact C-N 3.34Å; Q903-L905 PolarHBondContact O-N 2.88Å; L905-W907 PolarHBondContact O-N 3.19Å; L905-V908 PolarHBondContact O-N 3.38Å; L905-V908 VanDerWaalsContact O-N 3.16Å; L905-E909 HydrophobicContact CD1-CG 4.1Å; L905-E909 HydrophobicContact CG-CG 4.35Å; L905-E909 WeakPolarHBondContact O-CB 3.42Å; L905-E909 WeakPolarHBondContact O-CG 3.46Å; L905-E909 PolarHBondContact O-N 3.06Å |
| 906 | Q | 68.7 | Low | 66.6 | Low | 100 Ų | 100 | 65.1 Ų | 65.1 | 47% | 0.467 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.9 | -38.9 | 178.1 | -174.2 | 179.5 | 8.6 | 0 | 0 | 111.8 | P902 Q903 T910 L939 | P902-Q906 WeakPolarHBondContact O-CB 3.37Å; P902-Q906 PolarHBondContact O-N 3.3Å; Q903-Q906 PolarHBondContact O-N 3.39Å; Q906-T910 WeakPolarHBondContact O-CB 3.47Å; Q906-T910 PolarHBondContact O-N 3.22Å; Q906-T910 PolarHBondContact O-OG1 3.01Å; Q906-L939 HydrophobicContact CG-CD1 4.18Å; Q906-L939 HydrophobicContact CG-CD2 4.38Å |
| 907 | W | 65.2 | Low | 64.8 | Low | 35 Ų | 35 | 66.1 Ų | 66.1 | 13% | 0.133 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.2 | -50.7 | 174.7 | -177.5 | 89.2 | 0 | 0 | 0 | 111.9 | Q903 A904 L905 E909 T910 M911 L939 D940 M1067 | Q903-W907 WeakPolarHBondContact O-CB 3.22Å; Q903-W907 PolarHBondContact O-N 3.39Å; A904-W907 WeakPolarHBondContact O-CB 3.25Å; A904-W907 PolarHBondContact O-N 3.1Å; L905-W907 PolarHBondContact O-N 3.19Å; W907-E909 PolarHBondContact O-N 3.46Å; W907-T910 WeakPolarHBondContact O-CB 3.44Å; W907-T910 PolarHBondContact O-N 3.17Å; W907-M911 HydrophobicContact CD2-CG 4.1Å; W907-M911 HydrophobicContact CE3-CG 4.33Å; W907-M911 HydrophobicContact CH2-CE 4.32Å; W907-M911 HydrophobicContact CH2-CG 4.01Å; W907-M911 HydrophobicContact CZ2-CE 4.02Å; W907-M911 HydrophobicContact CZ2-CG 3.75Å; W907-M911 HydrophobicContact CZ2-SD 4.44Å; W907-M911 HydrophobicContact CZ3-CG 4.29Å; W907-M911 WeakPolarHBondContact O-CG 3.17Å; W907-M911 PolarHBondContact O-N 3.23Å; W907-L939 HydrophobicContact CB-CD2 4.26Å; W907-L939 HydrophobicContact CB-CG 4.49Å; W907-D940 VanDerWaalsContact CD1-OD1 3.28Å; W907-D940 PolarHBondContact NE1-OD1 3.36Å; W907-M1067 HydrophobicContact CH2-CE 4.47Å; W907-M1067 HydrophobicContact CH2-CG 3.61Å; W907-M1067 HydrophobicContact CH2-SD 3.92Å; W907-M1067 HydrophobicContact CZ2-CE 4.46Å; W907-M1067 HydrophobicContact CZ2-CG 3.84Å; W907-M1067 HydrophobicContact CZ2-SD 4.4Å |
| 908 | V | 64.2 | Low | 62.9 | Low | 71 Ų | 71 | 72.7 Ų | 72.7 | 43% | 0.43 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.3 | -46.9 | 178.4 | 172.8 | 0 | 0 | 0 | 0 | 111 | A904 L905 T910 M911 E912 | A904-V908 WeakPolarHBondContact O-CG2 3.39Å; A904-V908 PolarHBondContact O-N 3.04Å; L905-V908 PolarHBondContact O-N 3.38Å; L905-V908 VanDerWaalsContact O-N 3.16Å; V908-T910 VanDerWaalsContact C-N 3.25Å; V908-T910 PolarHBondContact O-N 3.27Å; V908-M911 PolarHBondContact O-N 3.44Å; V908-M911 VanDerWaalsContact O-N 3.13Å; V908-E912 HydrophobicContact CG1-CG 4.31Å; V908-E912 WeakPolarHBondContact O-CB 3.04Å; V908-E912 PolarHBondContact O-N 3.08Å |
| 909 | E | 66.3 | Low | 61.2 | Low | 119 Ų | 119 | 73.9 Ų | 73.9 | 56% | 0.556 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -58.4 | -39.1 | 177.8 | -73.7 | -179.8 | 157.4 | 0 | 0 | 112 | L905 W907 N913 | L905-E909 HydrophobicContact CD1-CG 4.1Å; L905-E909 HydrophobicContact CG-CG 4.35Å; L905-E909 WeakPolarHBondContact O-CB 3.42Å; L905-E909 WeakPolarHBondContact O-CG 3.46Å; L905-E909 PolarHBondContact O-N 3.06Å; W907-E909 PolarHBondContact O-N 3.46Å; E909-N913 WeakPolarHBondContact O-CB 3.37Å; E909-N913 PolarHBondContact O-N 3.25Å; E909-N913 VanDerWaalsContact O-N 3.14Å |
| 910 | T | 66.7 | Low | 59.9 | Low | 62 Ų | 62 | 75.5 Ų | 75.5 | 38% | 0.38 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67 | -41.7 | 176.9 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | Q906 W907 V908 L939 | Q906-T910 WeakPolarHBondContact O-CB 3.47Å; Q906-T910 PolarHBondContact O-N 3.22Å; Q906-T910 PolarHBondContact O-OG1 3.01Å; W907-T910 WeakPolarHBondContact O-CB 3.44Å; W907-T910 PolarHBondContact O-N 3.17Å; V908-T910 VanDerWaalsContact C-N 3.25Å; V908-T910 PolarHBondContact O-N 3.27Å; T910-L939 HydrophobicContact CG2-CD2 4.46Å |
| 911 | M | 60.5 | Low | 58.5 | Low | 29 Ų | 29 | 76.5 Ų | 76.5 | 14% | 0.143 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -71.1 | -31.1 | -179 | -74.8 | -64.9 | -88 | 0 | 0 | 113.9 | W907 V908 K920 F1070 | W907-M911 HydrophobicContact CD2-CG 4.1Å; W907-M911 HydrophobicContact CE3-CG 4.33Å; W907-M911 HydrophobicContact CH2-CE 4.32Å; W907-M911 HydrophobicContact CH2-CG 4.01Å; W907-M911 HydrophobicContact CZ2-CE 4.02Å; W907-M911 HydrophobicContact CZ2-CG 3.75Å; W907-M911 HydrophobicContact CZ2-SD 4.44Å; W907-M911 HydrophobicContact CZ3-CG 4.29Å; W907-M911 WeakPolarHBondContact O-CG 3.17Å; W907-M911 PolarHBondContact O-N 3.23Å; V908-M911 PolarHBondContact O-N 3.44Å; V908-M911 VanDerWaalsContact O-N 3.13Å; M911-K920 PolarHBondContact O-NZ 2.94Å; M911-K920 VanDerWaalsContact O-NZ 3.07Å; M911-F1070 HydrophobicContact CE-CB 4.47Å |
| 912 | E | 63.3 | Low | 56.9 | Low | 120 Ų | 120 | 77.6 Ų | 77.6 | 56% | 0.561 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -89.5 | -13.2 | -179.6 | -73.2 | -62.1 | 135.1 | 0 | 0 | 114.1 | V908 K914 | V908-E912 HydrophobicContact CG1-CG 4.31Å; V908-E912 WeakPolarHBondContact O-CB 3.04Å; V908-E912 PolarHBondContact O-N 3.08Å; E912-K914 PolarHBondContact O-N 3.08Å |
| 913 | N | 64 | Low | 55.3 | Low | 84 Ų | 84 | 79.3 Ų | 79.3 | 45% | 0.449 | 41% | 0.409 | S | S | . | . | trans | -63.9 | 113.2 | -179.3 | -170.8 | -20.7 | 0 | 0 | 0 | 111.4 | E909 N915 A916 | E909-N913 WeakPolarHBondContact O-CB 3.37Å; E909-N913 PolarHBondContact O-N 3.25Å; E909-N913 VanDerWaalsContact O-N 3.14Å; N913-N915 PolarHBondContact O-N 3.07Å; N913-N915 VanDerWaalsContact O-N 3.11Å; N913-N915 WeakPolarHBondContact OD1-CB 3.46Å; N913-N915 PolarHBondContact OD1-N 3.48Å; N913-A916 HydrophobicContact CB-CB 4.18Å; N913-A916 WeakPolarHBondContact O-CA 3.18Å; N913-A916 VanDerWaalsContact O-CB 3.26Å; N913-A916 WeakPolarHBondContact O-CB 3.32Å; N913-A916 PolarHBondContact O-N 3.28Å | ||
| 914 | K | 52.7 | Low | 53.7 | Low | 188 Ų | 188 | 84.7 Ų | 84.7 | 82% | 0.817 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -58.2 | -26.9 | 179.6 | -67.8 | -177.5 | 179 | 176.9 | 0 | 113.7 | E912 A916 S917 | E912-K914 PolarHBondContact O-N 3.08Å; K914-A916 VanDerWaalsContact C-N 3.33Å; K914-S917 WeakPolarHBondContact O-CB 3.4Å; K914-S917 PolarHBondContact O-N 3.02Å; K914-S917 PolarHBondContact O-OG 3.49Å |
| 915 | N | 48.2 | Very low | 52.6 | Low | 138 Ų | 138 | 89.1 Ų | 89.1 | 74% | 0.738 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -77.1 | -19.7 | 175.3 | -73.8 | -26.1 | 0 | 0 | 0 | 113 | N913 S917 | N913-N915 PolarHBondContact O-N 3.07Å; N913-N915 VanDerWaalsContact O-N 3.11Å; N913-N915 WeakPolarHBondContact OD1-CB 3.46Å; N913-N915 PolarHBondContact OD1-N 3.48Å; N915-S917 PolarHBondContact O-N 2.99Å |
| 916 | A | 47.6 | Very low | 51.2 | Low | 23 Ų | 23 | 96.4 Ų | 96.4 | 19% | 0.19 | 49% | 0.487 | C | S | . | . | G | 310 helix | trans | -74.7 | -7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | N913 K914 K918 V919 K920 | N913-A916 HydrophobicContact CB-CB 4.18Å; N913-A916 WeakPolarHBondContact O-CA 3.18Å; N913-A916 VanDerWaalsContact O-CB 3.26Å; N913-A916 WeakPolarHBondContact O-CB 3.32Å; N913-A916 PolarHBondContact O-N 3.28Å; K914-A916 VanDerWaalsContact C-N 3.33Å; A916-K918 PolarHBondContact O-N 3.48Å; A916-V919 CarbonylContact O-C 3.54Å; A916-V919 WeakPolarHBondContact O-CA 3.29Å; A916-V919 VanDerWaalsContact O-CB 3.3Å; A916-V919 WeakPolarHBondContact O-CB 3.32Å; A916-V919 PolarHBondContact O-N 3.49Å; A916-K920 PolarHBondContact O-N 2.95Å |
| 917 | S | 43.9 | Very low | 49.6 | Very low | 66 Ų | 66 | 96.5 Ų | 96.5 | 46% | 0.462 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.8 | -23.3 | 171.7 | 103.5 | 0 | 0 | 0 | 0 | 112.5 | K914 N915 V919 S921 | K914-S917 WeakPolarHBondContact O-CB 3.4Å; K914-S917 PolarHBondContact O-N 3.02Å; K914-S917 PolarHBondContact O-OG 3.49Å; N915-S917 PolarHBondContact O-N 2.99Å; S917-V919 VanDerWaalsContact C-N 3.3Å; S917-S921 WeakPolarHBondContact O-CB 3.4Å; S917-S921 PolarHBondContact O-N 3.46Å; S917-S921 PolarHBondContact O-OG 3.5Å |
| 918 | K | 42.2 | Very low | 48.3 | Very low | 174 Ų | 174 | 97.5 Ų | 97.5 | 76% | 0.757 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.6 | -30 | 166.5 | -81.6 | -174.9 | 177.4 | 178.9 | 0 | 112.4 | A916 A922 | A916-K918 PolarHBondContact O-N 3.48Å; K918-A922 WeakPolarHBondContact O-CB 3.48Å; K918-A922 PolarHBondContact O-N 3.38Å |
| 919 | V | 41.2 | Very low | 47.1 | Very low | 52 Ų | 52 | 99.3 Ų | 99.3 | 32% | 0.315 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -76.6 | -44.1 | 173.4 | -178.1 | 0 | 0 | 0 | 0 | 110.5 | A916 S917 S921 A922 Y923 C932 | A916-V919 CarbonylContact O-C 3.54Å; A916-V919 WeakPolarHBondContact O-CA 3.29Å; A916-V919 VanDerWaalsContact O-CB 3.3Å; A916-V919 WeakPolarHBondContact O-CB 3.32Å; A916-V919 PolarHBondContact O-N 3.49Å; S917-V919 VanDerWaalsContact C-N 3.3Å; V919-S921 VanDerWaalsContact C-N 3.33Å; V919-S921 PolarHBondContact O-N 3.14Å; V919-A922 PolarHBondContact O-N 3.44Å; V919-Y923 HydrophobicContact CG1-CD2 4.36Å; V919-Y923 PolarHBondContact O-N 2.87Å; V919-Y923 VanDerWaalsContact O-N 3.14Å; V919-C932 HydrophobicContact CG1-CB 3.79Å |
| 920 | K | 41.4 | Very low | 46.2 | Very low | 88 Ų | 88 | 100.1 Ų | 100.1 | 38% | 0.383 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.3 | -36.9 | 172.7 | -77.4 | 179.7 | 172.3 | 173.4 | 0 | 112.7 | M911 A916 | M911-K920 PolarHBondContact O-NZ 2.94Å; M911-K920 VanDerWaalsContact O-NZ 3.07Å; A916-K920 PolarHBondContact O-N 2.95Å |
| 921 | S | 42 | Very low | 45.1 | Very low | 67 Ų | 67 | 99.9 Ų | 99.9 | 47% | 0.469 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -80.3 | -29.1 | 177.5 | -52.6 | 0 | 0 | 0 | 0 | 113.1 | S917 V919 Y923 L924 | S917-S921 WeakPolarHBondContact O-CB 3.4Å; S917-S921 PolarHBondContact O-N 3.46Å; S917-S921 PolarHBondContact O-OG 3.5Å; V919-S921 VanDerWaalsContact C-N 3.33Å; V919-S921 PolarHBondContact O-N 3.14Å; S921-Y923 VanDerWaalsContact C-N 3.27Å; S921-Y923 PolarHBondContact O-N 2.84Å; S921-L924 PolarHBondContact O-N 3.35Å |
| 922 | A | 39.9 | Very low | 44.1 | Very low | 33 Ų | 33 | 101.3 Ų | 101.3 | 27% | 0.273 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -72.1 | -20.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K918 V919 A928 | K918-A922 WeakPolarHBondContact O-CB 3.48Å; K918-A922 PolarHBondContact O-N 3.38Å; V919-A922 PolarHBondContact O-N 3.44Å; A922-A928 HydrophobicContact CB-CB 3.62Å |
| 923 | Y | 38.6 | Very low | 43.2 | Very low | 81 Ų | 81 | 96 Ų | 96 | 32% | 0.318 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -74.6 | -27.6 | 174.4 | -107.9 | -82.5 | 0 | 0 | 0 | 113.6 | V919 S921 G933 A1073 | V919-Y923 HydrophobicContact CG1-CD2 4.36Å; V919-Y923 PolarHBondContact O-N 2.87Å; V919-Y923 VanDerWaalsContact O-N 3.14Å; S921-Y923 VanDerWaalsContact C-N 3.27Å; S921-Y923 PolarHBondContact O-N 2.84Å; Y923-G933 WeakPolarHBondContact OH-CA 3.3Å; Y923-A1073 HydrophobicContact CD1-CB 4.18Å |
| 924 | L | 40.9 | Very low | 42.2 | Very low | 158 Ų | 158 | 97.9 Ų | 97.9 | 83% | 0.827 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -83.4 | -11.2 | 177.3 | -79.7 | 161.6 | 0 | 0 | 0 | 113.5 | S921 | S921-L924 PolarHBondContact O-N 3.35Š|
| 925 | I | 39.7 | Very low | 42 | Very low | 115 Ų | 115 | 94.1 Ų | 94.1 | 59% | 0.59 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -120.9 | 114.9 | 178.3 | -55.8 | 176.7 | 0 | 0 | 0 | 106.8 | S927 | I925-S927 PolarHBondContact O-N 3.1Š|
| 926 | K | 37.9 | Very low | 42 | Very low | 222 Ų | 222 | 88.5 Ų | 88.5 | 97% | 0.965 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -45.5 | 13.8 | -172.9 | -86.7 | -177.6 | 172.8 | -178.8 | 0 | 119.8 | ||
| 927 | S | 36.1 | Very low | 42.2 | Very low | 102 Ų | 102 | 88.8 Ų | 88.8 | 71% | 0.713 | 50% | 0.495 | S | S | * | . | trans | -142 | 63.9 | -167.1 | 51.4 | 0 | 0 | 0 | 0 | 112.8 | I925 | I925-S927 PolarHBondContact O-N 3.1Š| ||
| 928 | A | 36.3 | Very low | 42.6 | Very low | 56 Ų | 56 | 88.6 Ų | 88.6 | 46% | 0.463 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -135.3 | 153 | 161.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A922 | A922-A928 HydrophobicContact CB-CB 3.62Š|
| 929 | P | 39.3 | Very low | 43.3 | Very low | 108 Ų | 108 | 81.2 Ų | 81.2 | 70% | 0.701 | 46% | 0.462 | S | S | * | . | trans | -72.3 | 141.9 | -166.8 | -8.1 | 24.7 | 0 | 0 | 0 | 111.8 | A931 C932 | P929-A931 PolarHBondContact O-N 2.62Å; P929-C932 PolarHBondContact O-N 3.46Å | ||
| 930 | I | 46.8 | Very low | 44 | Very low | 136 Ų | 136 | 79.8 Ų | 79.8 | 70% | 0.697 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.4 | -26.8 | -177.2 | -64.1 | 161.4 | 0 | 0 | 0 | 114.8 | C932 G933 E934 | I930-C932 PolarHBondContact O-N 3.44Å; I930-G933 PolarHBondContact O-N 3.17Å; I930-E934 HydrophobicContact CG2-CG 4.32Å |
| 931 | A | 43.6 | Very low | 45.1 | Very low | 57 Ų | 57 | 81.2 Ų | 81.2 | 47% | 0.471 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.5 | -30.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | P929 G933 I935 | P929-A931 PolarHBondContact O-N 2.62Å; A931-G933 VanDerWaalsContact C-N 3.34Å; A931-I935 WeakPolarHBondContact O-CD1 3.17Å; A931-I935 WeakPolarHBondContact O-CG1 3.32Å |
| 932 | C | 39.5 | Very low | 46.1 | Very low | 59 Ų | 59 | 82.4 Ų | 82.4 | 40% | 0.399 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -77.7 | -23.1 | -180 | -73.8 | 0 | 0 | 0 | 0 | 113 | V919 P929 I930 A936 | V919-C932 HydrophobicContact CG1-CB 3.79Å; P929-C932 PolarHBondContact O-N 3.46Å; I930-C932 PolarHBondContact O-N 3.44Å; C932-A936 PolarHBondContact O-N 3.05Å |
| 933 | G | 44.5 | Very low | 47.2 | Very low | 8 Ų | 8 | 81.8 Ų | 81.8 | 8% | 0.082 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -76.5 | -44.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y923 I930 A931 I935 A936 S937 | Y923-G933 WeakPolarHBondContact OH-CA 3.3Å; I930-G933 PolarHBondContact O-N 3.17Å; A931-G933 VanDerWaalsContact C-N 3.34Å; G933-I935 VanDerWaalsContact C-N 3.26Å; G933-I935 PolarHBondContact O-N 3.28Å; G933-A936 PolarHBondContact O-N 2.89Å; G933-S937 WeakPolarHBondContact O-CB 3.49Å; G933-S937 PolarHBondContact O-N 3.09Å; G933-S937 PolarHBondContact O-OG 3.1Å; G933-S937 VanDerWaalsContact O-OG 3.12Å |
| 934 | E | 44.9 | Very low | 48.7 | Very low | 124 Ų | 124 | 84 Ų | 84 | 58% | 0.579 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -60.8 | -36.9 | 176.4 | -67.2 | 178.5 | 159.3 | 0 | 0 | 111.6 | I930 S937 S938 | I930-E934 HydrophobicContact CG2-CG 4.32Å; E934-S937 PolarHBondContact O-OG 3.17Å; E934-S938 WeakPolarHBondContact O-CB 3.32Å; E934-S938 PolarHBondContact O-N 3.27Å; E934-S938 PolarHBondContact O-OG 3.22Å; E934-S938 VanDerWaalsContact O-OG 3.06Å |
| 935 | I | 47 | Very low | 50.1 | Low | 109 Ų | 109 | 80.9 Ų | 80.9 | 56% | 0.559 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -67.6 | -47.3 | 179.2 | -65 | 167.9 | 0 | 0 | 0 | 110.9 | A931 G933 S938 L939 | A931-I935 WeakPolarHBondContact O-CD1 3.17Å; A931-I935 WeakPolarHBondContact O-CG1 3.32Å; G933-I935 VanDerWaalsContact C-N 3.26Å; G933-I935 PolarHBondContact O-N 3.28Å; I935-S938 WeakPolarHBondContact CA-OG 3.38Å; I935-S938 PolarHBondContact O-N 3.21Å; I935-S938 PolarHBondContact O-OG 3.15Å; I935-L939 WeakPolarHBondContact O-CB 3.37Å; I935-L939 PolarHBondContact O-N 3.22Å |
| 936 | A | 48 | Very low | 51.6 | Low | 21 Ų | 21 | 77.5 Ų | 77.5 | 17% | 0.174 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -73.1 | -39.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112 | C932 G933 S938 L939 D940 F1070 | C932-A936 PolarHBondContact O-N 3.05Å; G933-A936 PolarHBondContact O-N 2.89Å; A936-S938 VanDerWaalsContact C-N 3.33Å; A936-S938 PolarHBondContact O-N 3.34Å; A936-L939 PolarHBondContact O-N 3.39Å; A936-D940 PolarHBondContact O-N 3.02Å; A936-F1070 HydrophobicContact CB-CE2 3.59Å; A936-F1070 HydrophobicContact CB-CZ 3.34Å |
| 937 | S | 52.1 | Low | 53.3 | Low | 28 Ų | 28 | 70.8 Ų | 70.8 | 20% | 0.196 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.6 | -38.3 | 171.8 | 69.6 | 0 | 0 | 0 | 0 | 111.8 | G933 E934 L939 H941 | G933-S937 WeakPolarHBondContact O-CB 3.49Å; G933-S937 PolarHBondContact O-N 3.09Å; G933-S937 PolarHBondContact O-OG 3.1Å; G933-S937 VanDerWaalsContact O-OG 3.12Å; E934-S937 PolarHBondContact O-OG 3.17Å; S937-L939 VanDerWaalsContact C-N 3.31Å; S937-L939 PolarHBondContact O-N 3.37Å; S937-H941 WeakPolarHBondContact O-CB 3.4Å; S937-H941 PolarHBondContact O-CD2 2.88Å; S937-H941 PolarHBondContact O-N 3.38Å |
| 938 | S | 53.8 | Low | 55.1 | Low | 63 Ų | 63 | 70 Ų | 70 | 44% | 0.441 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.8 | -35.1 | 174.8 | 74.7 | 0 | 0 | 0 | 0 | 112.2 | E934 I935 A936 L942 | E934-S938 WeakPolarHBondContact O-CB 3.32Å; E934-S938 PolarHBondContact O-N 3.27Å; E934-S938 PolarHBondContact O-OG 3.22Å; E934-S938 VanDerWaalsContact O-OG 3.06Å; I935-S938 WeakPolarHBondContact CA-OG 3.38Å; I935-S938 PolarHBondContact O-N 3.21Å; I935-S938 PolarHBondContact O-OG 3.15Å; A936-S938 VanDerWaalsContact C-N 3.33Å; A936-S938 PolarHBondContact O-N 3.34Å; S938-L942 WeakPolarHBondContact O-CB 3.44Å; S938-L942 PolarHBondContact O-N 3Å |
| 939 | L | 56.4 | Low | 57.2 | Low | 18 Ų | 18 | 72.6 Ų | 72.6 | 9% | 0.094 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -74.7 | -37.7 | 179.8 | -161.6 | 71.8 | 0 | 0 | 0 | 112 | Q906 W907 T910 I935 A936 S937 T943 | Q906-L939 HydrophobicContact CG-CD1 4.18Å; Q906-L939 HydrophobicContact CG-CD2 4.38Å; W907-L939 HydrophobicContact CB-CD2 4.26Å; W907-L939 HydrophobicContact CB-CG 4.49Å; T910-L939 HydrophobicContact CG2-CD2 4.46Å; I935-L939 WeakPolarHBondContact O-CB 3.37Å; I935-L939 PolarHBondContact O-N 3.22Å; A936-L939 PolarHBondContact O-N 3.39Å; S937-L939 VanDerWaalsContact C-N 3.31Å; S937-L939 PolarHBondContact O-N 3.37Å; L939-T943 VanDerWaalsContact O-CB 3.31Å; L939-T943 WeakPolarHBondContact O-CB 3.02Å; L939-T943 PolarHBondContact O-N 3.32Å; L939-T943 PolarHBondContact O-OG1 3.44Å |
| 940 | D | 56.3 | Low | 59.1 | Low | 23 Ų | 23 | 69 Ų | 69 | 12% | 0.123 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.6 | -55.3 | 170 | -91.4 | 29.8 | 0 | 0 | 0 | 110.6 | W907 A936 L942 T943 M944 F1070 | W907-D940 VanDerWaalsContact CD1-OD1 3.28Å; W907-D940 PolarHBondContact NE1-OD1 3.36Å; A936-D940 PolarHBondContact O-N 3.02Å; D940-L942 VanDerWaalsContact C-N 3.33Å; D940-L942 PolarHBondContact O-N 3.07Å; D940-T943 PolarHBondContact O-N 3.03Å; D940-M944 WeakPolarHBondContact O-CB 3.19Å; D940-M944 VanDerWaalsContact O-CG 3.3Å; D940-M944 WeakPolarHBondContact O-CG 3.43Å; D940-M944 PolarHBondContact O-N 2.91Å; D940-F1070 HydrophobicContact CB-CE1 4.46Å; D940-F1070 VanDerWaalsContact CG-CE1 3.48Å; D940-F1070 VanDerWaalsContact OD2-CD1 3.31Å; D940-F1070 WeakPolarHBondContact OD2-CD1 3.35Å; D940-F1070 WeakPolarHBondContact OD2-CE1 3.31Å |
| 941 | H | 62.7 | Low | 60.7 | Low | 117 Ų | 117 | 64.7 Ų | 64.7 | 54% | 0.542 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.3 | -44.1 | 179.1 | -78.9 | -61.9 | 0 | 0 | 0 | 111.7 | S937 T943 M944 D945 | S937-H941 WeakPolarHBondContact O-CB 3.4Å; S937-H941 PolarHBondContact O-CD2 2.88Å; S937-H941 PolarHBondContact O-N 3.38Å; H941-T943 PolarHBondContact O-N 2.83Å; H941-M944 PolarHBondContact O-N 3Å; H941-D945 WeakPolarHBondContact O-CB 3.24Å; H941-D945 PolarHBondContact O-N 2.94Å |
| 942 | L | 64.2 | Low | 62.6 | Low | 92 Ų | 92 | 64.2 Ų | 64.2 | 48% | 0.482 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.2 | -39.1 | 179.7 | -172.2 | 125.3 | 0 | 0 | 0 | 112.5 | Q903 S938 D940 H946 | Q903-L942 HydrophobicContact CB-CD2 4.22Å; Q903-L942 HydrophobicContact CG-CD2 3.57Å; S938-L942 WeakPolarHBondContact O-CB 3.44Å; S938-L942 PolarHBondContact O-N 3Å; D940-L942 VanDerWaalsContact C-N 3.33Å; D940-L942 PolarHBondContact O-N 3.07Å; L942-H946 WeakPolarHBondContact O-CB 3.3Å; L942-H946 PolarHBondContact O-N 3.21Å |
| 943 | T | 62.3 | Low | 64.8 | Low | 21 Ų | 21 | 64.6 Ų | 64.6 | 13% | 0.129 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.5 | -44.5 | 177.7 | -55.5 | 0 | 0 | 0 | 0 | 111.2 | Q903 A904 L939 D940 H941 H946 H947 | Q903-T943 HydrophobicContact CB-CG2 4.44Å; Q903-T943 PolarHBondContact O-OG1 3.1Å; A904-T943 HydrophobicContact CB-CG2 4.16Å; L939-T943 VanDerWaalsContact O-CB 3.31Å; L939-T943 WeakPolarHBondContact O-CB 3.02Å; L939-T943 PolarHBondContact O-N 3.32Å; L939-T943 PolarHBondContact O-OG1 3.44Å; D940-T943 PolarHBondContact O-N 3.03Å; H941-T943 PolarHBondContact O-N 2.83Å; T943-H946 PolarHBondContact O-N 3.19Å; T943-H947 WeakPolarHBondContact O-CB 3.49Å; T943-H947 PolarHBondContact O-N 3.1Å |
| 944 | M | 70 | Confident | 66.8 | Low | 127 Ų | 127 | 64.5 Ų | 64.5 | 63% | 0.626 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -66.3 | -45.2 | 178.2 | -70.3 | -178.3 | 71.1 | 0 | 0 | 112.1 | D940 H941 H946 H947 Y948 | D940-M944 WeakPolarHBondContact O-CB 3.19Å; D940-M944 VanDerWaalsContact O-CG 3.3Å; D940-M944 WeakPolarHBondContact O-CG 3.43Å; D940-M944 PolarHBondContact O-N 2.91Å; H941-M944 PolarHBondContact O-N 3Å; M944-H946 VanDerWaalsContact C-N 3.31Å; M944-H946 PolarHBondContact O-N 3.18Å; M944-H947 PolarHBondContact O-N 2.96Å; M944-Y948 WeakPolarHBondContact O-CB 3.32Å; M944-Y948 PolarHBondContact O-N 3.4Å |
| 945 | D | 70 | Confident | 68.6 | Low | 93 Ų | 93 | 59.1 Ų | 59.1 | 50% | 0.497 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.8 | -40.5 | 176.7 | -77 | -17.3 | 0 | 0 | 0 | 110.8 | H941 Y948 Q949 | H941-D945 WeakPolarHBondContact O-CB 3.24Å; H941-D945 PolarHBondContact O-N 2.94Å; D945-Y948 PolarHBondContact O-N 3.21Å; D945-Q949 WeakPolarHBondContact O-CB 3.39Å; D945-Q949 VanDerWaalsContact O-CG 3.26Å; D945-Q949 WeakPolarHBondContact O-CG 3.46Å; D945-Q949 PolarHBondContact O-N 3.4Å |
| 946 | H | 71.7 | Confident | 70.5 | Confident | 44 Ų | 44 | 56.1 Ų | 56.1 | 20% | 0.204 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.4 | -43.2 | 176.5 | -171 | 57.4 | 0 | 0 | 0 | 112.1 | Q903 L942 T943 M944 Y948 Q949 L950 | Q903-H946 HydrophobicContact CG-CB 4.46Å; Q903-H946 PolarHBondContact OE1-CD2 3.46Å; Q903-H946 VanDerWaalsContact OE1-CD2 3.23Å; Q903-H946 PolarHBondContact OE1-NE2 3.15Å; L942-H946 WeakPolarHBondContact O-CB 3.3Å; L942-H946 PolarHBondContact O-N 3.21Å; T943-H946 PolarHBondContact O-N 3.19Å; M944-H946 VanDerWaalsContact C-N 3.31Å; M944-H946 PolarHBondContact O-N 3.18Å; H946-Y948 VanDerWaalsContact C-N 3.3Å; H946-Y948 PolarHBondContact O-N 3.13Å; H946-Q949 PolarHBondContact O-N 2.92Å; H946-L950 WeakPolarHBondContact O-CG 3.47Å; H946-L950 PolarHBondContact O-N 3.27Å |
| 947 | H | 72.8 | Confident | 72.4 | Confident | 80 Ų | 80 | 55.3 Ų | 55.3 | 37% | 0.37 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 175 | -169.7 | 88.7 | 0 | 0 | 0 | 111.6 | L897 T943 M944 L950 M951 | L897-H947 WeakPolarHBondContact CD2-NE2 3.43Å; T943-H947 WeakPolarHBondContact O-CB 3.49Å; T943-H947 PolarHBondContact O-N 3.1Å; M944-H947 PolarHBondContact O-N 2.96Å; H947-L950 PolarHBondContact O-N 3.29Å; H947-M951 PolarHBondContact O-N 3.03Å |
| 948 | Y | 75.3 | Confident | 74.3 | Confident | 87 Ų | 87 | 59.3 Ų | 59.3 | 34% | 0.341 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 174.6 | 178.3 | -95.7 | 0 | 0 | 0 | 112.1 | R670 M944 D945 H946 L950 M951 Q952 | R670-Y948 WeakPolarHBondContact CB-OH 3.38Å; R670-Y948 WeakPolarHBondContact CD-OH 3.27Å; M944-Y948 WeakPolarHBondContact O-CB 3.32Å; M944-Y948 PolarHBondContact O-N 3.4Å; D945-Y948 PolarHBondContact O-N 3.21Å; H946-Y948 VanDerWaalsContact C-N 3.3Å; H946-Y948 PolarHBondContact O-N 3.13Å; Y948-L950 PolarHBondContact O-N 3.4Å; Y948-M951 WeakPolarHBondContact O-CB 3.49Å; Y948-M951 PolarHBondContact O-N 2.92Å; Y948-Q952 HydrophobicContact CD1-CG 4.09Å; Y948-Q952 HydrophobicContact CE1-CG 3.63Å; Y948-Q952 HydrophobicContact CE2-CG 4.42Å; Y948-Q952 VanDerWaalsContact O-CG 3.31Å; Y948-Q952 WeakPolarHBondContact O-CG 3.06Å; Y948-Q952 PolarHBondContact O-N 3.13Å; Y948-Q952 PolarHBondContact OH-NE2 3.22Å; Y948-Q952 VanDerWaalsContact OH-NE2 3.15Å |
| 949 | Q | 80.4 | Confident | 75.9 | Confident | 110 Ų | 110 | 56.5 Ų | 56.5 | 51% | 0.514 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.6 | -46.4 | 175 | -75.8 | 170.5 | 4.9 | 0 | 0 | 111.4 | D945 H946 M951 Q952 E953 | D945-Q949 WeakPolarHBondContact O-CB 3.39Å; D945-Q949 VanDerWaalsContact O-CG 3.26Å; D945-Q949 WeakPolarHBondContact O-CG 3.46Å; D945-Q949 PolarHBondContact O-N 3.4Å; H946-Q949 PolarHBondContact O-N 2.92Å; Q949-M951 VanDerWaalsContact C-N 3.33Å; Q949-M951 PolarHBondContact O-N 3.3Å; Q949-Q952 WeakPolarHBondContact O-CB 3.26Å; Q949-Q952 PolarHBondContact O-N 3.49Å; Q949-Q952 VanDerWaalsContact O-N 3.13Å; Q949-E953 WeakPolarHBondContact O-CG 3.28Å; Q949-E953 PolarHBondContact O-N 3.39Å |
| 950 | L | 79.3 | Confident | 77.6 | Confident | 31 Ų | 31 | 56.3 Ų | 56.3 | 16% | 0.162 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 175.5 | -72.2 | 172.2 | 0 | 0 | 0 | 111.8 | L897 T901 H946 H947 Y948 Q952 E953 V954 | L897-L950 HydrophobicContact CD1-CB 3.61Å; T901-L950 HydrophobicContact CG2-CD1 3.46Å; T901-L950 VanDerWaalsContact CG2-CD1 3.46Å; H946-L950 WeakPolarHBondContact O-CG 3.47Å; H946-L950 PolarHBondContact O-N 3.27Å; H947-L950 PolarHBondContact O-N 3.29Å; Y948-L950 PolarHBondContact O-N 3.4Å; L950-Q952 VanDerWaalsContact C-N 3.3Å; L950-Q952 PolarHBondContact O-N 2.97Å; L950-E953 PolarHBondContact O-N 3.18Å; L950-V954 WeakPolarHBondContact O-CB 3.37Å; L950-V954 WeakPolarHBondContact O-CG2 3.37Å; L950-V954 PolarHBondContact O-N 3.2Å |
| 951 | M | 80.9 | Confident | 79.3 | Confident | 47 Ų | 47 | 55.2 Ų | 55.2 | 23% | 0.232 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.5 | -42.8 | 175.1 | -178.5 | 60.3 | 175.3 | 0 | 0 | 111.3 | A884 L897 H947 Y948 Q949 V954 V955 | A884-M951 HydrophobicContact CB-CE 4.05Å; A884-M951 HydrophobicContact CB-SD 3.78Å; L897-M951 HydrophobicContact CD1-CB 4.45Å; L897-M951 HydrophobicContact CD2-CB 4.22Å; L897-M951 HydrophobicContact CD2-SD 3.93Å; H947-M951 PolarHBondContact O-N 3.03Å; Y948-M951 WeakPolarHBondContact O-CB 3.49Å; Y948-M951 PolarHBondContact O-N 2.92Å; Q949-M951 VanDerWaalsContact C-N 3.33Å; Q949-M951 PolarHBondContact O-N 3.3Å; M951-V954 PolarHBondContact O-N 3.46Å; M951-V955 HydrophobicContact CE-CG1 3.66Å; M951-V955 WeakPolarHBondContact O-CG1 3.48Å; M951-V955 WeakPolarHBondContact O-CG2 3.25Å; M951-V955 PolarHBondContact O-N 3.03Å; M951-V955 HydrophobicContact SD-CG1 3.98Å |
| 952 | Q | 82.5 | Confident | 80.7 | Confident | 47 Ų | 47 | 49.8 Ų | 49.8 | 22% | 0.22 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.4 | -45.2 | 176.2 | -67.7 | -69.2 | -54.6 | 0 | 0 | 111.9 | I671 Y948 Q949 L950 V955 T956 | I671-Q952 VanDerWaalsContact CG1-OE1 3.31Å; Y948-Q952 HydrophobicContact CD1-CG 4.09Å; Y948-Q952 HydrophobicContact CE1-CG 3.63Å; Y948-Q952 HydrophobicContact CE2-CG 4.42Å; Y948-Q952 VanDerWaalsContact O-CG 3.31Å; Y948-Q952 WeakPolarHBondContact O-CG 3.06Å; Y948-Q952 PolarHBondContact O-N 3.13Å; Y948-Q952 PolarHBondContact OH-NE2 3.22Å; Y948-Q952 VanDerWaalsContact OH-NE2 3.15Å; Q949-Q952 WeakPolarHBondContact O-CB 3.26Å; Q949-Q952 PolarHBondContact O-N 3.49Å; Q949-Q952 VanDerWaalsContact O-N 3.13Å; L950-Q952 VanDerWaalsContact C-N 3.3Å; L950-Q952 PolarHBondContact O-N 2.97Å; Q952-V955 WeakPolarHBondContact O-CG2 3.3Å; Q952-T956 WeakPolarHBondContact O-CB 3.19Å; Q952-T956 VanDerWaalsContact O-CG2 3.31Å; Q952-T956 WeakPolarHBondContact O-CG2 3.38Å; Q952-T956 PolarHBondContact O-N 3.41Å; Q952-T956 VanDerWaalsContact O-N 3.13Å; Q952-T956 PolarHBondContact O-OG1 2.99Å |
| 953 | E | 86 | Confident | 82.1 | Confident | 66 Ų | 66 | 45.4 Ų | 45.4 | 31% | 0.308 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.2 | -47 | 176.7 | -69.4 | 179.3 | 172.5 | 0 | 0 | 111.4 | K555 Q949 L950 T956 G957 Y958 | K555-E953 WeakPolarHBondContact CE-OE2 3.46Å; K555-E953 VanDerWaalsContact NZ-CD 3.29Å; K555-E953 IonicContact NZ-OE1 3.26Å; K555-E953 IonicContact NZ-OE2 3.5Å; K555-E953 PolarHBondContact NZ-OE2 3.32Å; Q949-E953 WeakPolarHBondContact O-CG 3.28Å; Q949-E953 PolarHBondContact O-N 3.39Å; L950-E953 PolarHBondContact O-N 3.18Å; E953-T956 WeakPolarHBondContact CA-OG1 3.42Å; E953-T956 CarbonylContact O-C 3.32Å; E953-T956 PolarHBondContact O-N 2.92Å; E953-T956 PolarHBondContact O-OG1 3.27Å; E953-T956 VanDerWaalsContact O-OG1 3.07Å; E953-G957 PolarHBondContact O-N 3.46Å; E953-G957 VanDerWaalsContact O-N 3.12Å; E953-Y958 WeakPolarHBondContact O-CA 3.28Å; E953-Y958 PolarHBondContact O-N 3.39Å |
| 954 | V | 85.9 | Confident | 83.6 | Confident | 7 Ų | 7 | 44.4 Ų | 44.4 | 4% | 0.042 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.6 | -49.2 | -179.5 | 167 | 0 | 0 | 0 | 0 | 111.5 | A884 E895 N896 L897 L950 M951 T956 G957 | A884-V954 HydrophobicContact CB-CG1 3.52Å; E895-V954 HydrophobicContact CB-CG1 3.62Å; E895-V954 HydrophobicContact CG-CB 4.25Å; E895-V954 HydrophobicContact CG-CG1 3.64Å; E895-V954 HydrophobicContact CG-CG2 4.25Å; N896-V954 WeakPolarHBondContact O-CG2 3.15Å; L897-V954 HydrophobicContact CD1-CG2 4.11Å; L950-V954 WeakPolarHBondContact O-CB 3.37Å; L950-V954 WeakPolarHBondContact O-CG2 3.37Å; L950-V954 PolarHBondContact O-N 3.2Å; M951-V954 PolarHBondContact O-N 3.46Å; V954-T956 PolarHBondContact O-N 3.49Å; V954-G957 PolarHBondContact O-N 2.94Å; V954-G957 VanDerWaalsContact O-N 3.07Å |
| 955 | V | 82.9 | Confident | 84.7 | Confident | 11 Ų | 11 | 38.5 Ų | 38.5 | 7% | 0.067 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -70.1 | -17.7 | 179.3 | -59.1 | 0 | 0 | 0 | 0 | 113.6 | M951 Q952 | M951-V955 HydrophobicContact CE-CG1 3.66Å; M951-V955 WeakPolarHBondContact O-CG1 3.48Å; M951-V955 WeakPolarHBondContact O-CG2 3.25Å; M951-V955 PolarHBondContact O-N 3.03Å; M951-V955 HydrophobicContact SD-CG1 3.98Å; Q952-V955 WeakPolarHBondContact O-CG2 3.3Å |
| 956 | T | 86.4 | Confident | 85.8 | Confident | 45 Ų | 45 | 34.1 Ų | 34.1 | 28% | 0.276 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 9 | 173.7 | 56.8 | 0 | 0 | 0 | 0 | 113.1 | P545 I671 F889 Q952 E953 V954 Y958 | P545-T956 WeakPolarHBondContact CG-O 3.48Å; I671-T956 HydrophobicContact CD1-CG2 4.47Å; F889-T956 VanDerWaalsContact CZ-O 3.26Å; F889-T956 WeakPolarHBondContact CZ-O 3.44Å; Q952-T956 WeakPolarHBondContact O-CB 3.19Å; Q952-T956 VanDerWaalsContact O-CG2 3.31Å; Q952-T956 WeakPolarHBondContact O-CG2 3.38Å; Q952-T956 PolarHBondContact O-N 3.41Å; Q952-T956 VanDerWaalsContact O-N 3.13Å; Q952-T956 PolarHBondContact O-OG1 2.99Å; E953-T956 WeakPolarHBondContact CA-OG1 3.42Å; E953-T956 CarbonylContact O-C 3.32Å; E953-T956 PolarHBondContact O-N 2.92Å; E953-T956 PolarHBondContact O-OG1 3.27Å; E953-T956 VanDerWaalsContact O-OG1 3.07Å; V954-T956 PolarHBondContact O-N 3.49Å; T956-Y958 WeakPolarHBondContact O-CD2 3.42Å |
| 957 | G | 88.7 | Confident | 87 | Confident | 5 Ų | 5 | 32 Ų | 32 | 5% | 0.052 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 17.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | P547 E953 V954 | P547-G957 WeakPolarHBondContact CG-O 3.41Å; E953-G957 PolarHBondContact O-N 3.46Å; E953-G957 VanDerWaalsContact O-N 3.12Å; V954-G957 PolarHBondContact O-N 2.94Å; V954-G957 VanDerWaalsContact O-N 3.07Å |
| 958 | Y | 92 | Very high | 88 | Confident | 111 Ų | 111 | 30.4 Ų | 30.4 | 44% | 0.435 | 14% | 0.143 | S | C | . | . | trans | -105.4 | 21.3 | 177.7 | -67.2 | -82.5 | 0 | 0 | 0 | 113.4 | P545 P547 K555 E953 T956 | P545-Y958 HydrophobicContact CG-CD2 4.47Å; P545-Y958 HydrophobicContact CG-CE2 4.07Å; P547-Y958 HydrophobicContact CB-CD1 4.32Å; K555-Y958 PolarHBondContact NZ-O 2.95Å; E953-Y958 WeakPolarHBondContact O-CA 3.28Å; E953-Y958 PolarHBondContact O-N 3.39Å; T956-Y958 WeakPolarHBondContact O-CD2 3.42Å | ||
| 959 | G | 87.7 | Confident | 88.7 | Confident | 5 Ų | 5 | 27.1 Ų | 27.1 | 5% | 0.052 | 13% | 0.131 | C | C | . | . | trans | -69.6 | 171.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 960 | I | 92 | Very high | 89.4 | Confident | 13 Ų | 13 | 22 Ų | 22 | 7% | 0.067 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -102.3 | -30.2 | -174.6 | 66.3 | 175.4 | 0 | 0 | 0 | 113.8 | T552 K555 H963 L964 | T552-I960 HydrophobicContact CG2-CB 3.96Å; T552-I960 HydrophobicContact CG2-CG2 4Å; K555-I960 HydrophobicContact CB-CG2 3.56Å; K555-I960 HydrophobicContact CD-CG2 3.88Å; K555-I960 HydrophobicContact CG-CG2 4.38Å; I960-H963 PolarHBondContact O-N 3.27Å; I960-L964 HydrophobicContact CB-CD1 4.31Å; I960-L964 HydrophobicContact CD1-CD1 4.5Å; I960-L964 HydrophobicContact CG1-CD1 4.47Å; I960-L964 WeakPolarHBondContact O-CB 3.18Å; I960-L964 VanDerWaalsContact O-CG 3.28Å; I960-L964 WeakPolarHBondContact O-CG 3.3Å; I960-L964 PolarHBondContact O-N 3.28Å |
| 961 | D | 90.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66.4 | -50.8 | -168 | -68 | -136.4 | 0 | 0 | 0 | 111.5 | E895 N896 R898 H963 L964 I965 | E895-D961 WeakPolarHBondContact OE1-CB 3.25Å; N896-D961 HydrophobicContact CB-CB 4Å; N896-D961 VanDerWaalsContact CB-CG 3.46Å; N896-D961 VanDerWaalsContact CB-OD1 3.31Å; N896-D961 WeakPolarHBondContact CB-OD1 3.38Å; N896-D961 PolarHBondContact ND2-OD1 3.06Å; R898-D961 IonicContact CZ-OD1 3.91Å; R898-D961 IonicContact CZ-OD2 3.87Å; R898-D961 IonicContact NE-OD1 3.84Å; R898-D961 PolarHBondContact NE-OD1 3.2Å; R898-D961 IonicContact NE-OD2 3.7Å; R898-D961 PolarHBondContact NE-OD2 2.88Å; R898-D961 IonicContact NH2-OD1 2.89Å; R898-D961 PolarHBondContact NH2-OD1 2.85Å; R898-D961 IonicContact NH2-OD2 3.7Å; R898-D961 PolarHBondContact NH2-OD2 2.96Å; D961-H963 VanDerWaalsContact C-N 3.26Å; D961-H963 PolarHBondContact O-N 3.29Å; D961-L964 PolarHBondContact O-N 3.13Å; D961-I965 WeakPolarHBondContact O-CB 3.22Å; D961-I965 WeakPolarHBondContact O-CD1 3.48Å; D961-I965 VanDerWaalsContact O-CG1 3.22Å; D961-I965 WeakPolarHBondContact O-CG1 3.4Å; D961-I965 PolarHBondContact O-N 2.95Å |
| 962 | N | 92.3 | Very high | 90.6 | Very high | 3 Ų | 3 | 23.7 Ų | 23.7 | 2% | 0.016 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -56.9 | -42.6 | 176.3 | -79.1 | -38.3 | 0 | 0 | 0 | 112.7 | I602 W606 M886 V894 E895 I965 A966 | I602-N962 HydrophobicContact CD1-CB 3.39Å; I602-N962 VanDerWaalsContact CD1-O 3.29Å; I602-N962 WeakPolarHBondContact CD1-O 3.5Å; I602-N962 HydrophobicContact CG1-CB 3.57Å; I602-N962 VanDerWaalsContact CG1-CG 3.47Å; I602-N962 WeakPolarHBondContact CG1-OD1 3.25Å; W606-N962 WeakPolarHBondContact CZ3-OD1 3.46Å; M886-N962 WeakPolarHBondContact CE-ND2 3.33Å; V894-N962 PolarHBondContact O-ND2 3.27Å; V894-N962 VanDerWaalsContact O-ND2 3.17Å; E895-N962 PolarHBondContact OE1-N 2.91Å; E895-N962 PolarHBondContact OE1-ND2 2.97Å; E895-N962 WeakPolarHBondContact OE2-CB 3.47Å; E895-N962 VanDerWaalsContact OE2-CG 3.29Å; E895-N962 PolarHBondContact OE2-ND2 3.43Å; N962-I965 PolarHBondContact O-N 2.84Å; N962-A966 WeakPolarHBondContact O-CB 3.35Å; N962-A966 PolarHBondContact O-N 3.2Å |
| 963 | H | 95 | Very high | 90.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.6 | -48.6 | -179.6 | -168.9 | -166.9 | 0 | 0 | 0 | 110.9 | P547 T552 Q588 L591 I960 D961 I965 A966 L967 | P547-H963 HydrophobicContact CG-CB 4.24Å; P547-H963 PolarHBondContact O-CE1 3.39Å; T552-H963 HydrophobicContact CG2-CB 4.18Å; T552-H963 PolarHBondContact OG1-ND1 2.84Å; Q588-H963 PolarHBondContact OE1-CE1 3.42Å; Q588-H963 PolarHBondContact OE1-NE2 3.23Å; L591-H963 WeakPolarHBondContact CD2-CD2 3.07Å; I960-H963 PolarHBondContact O-N 3.27Å; D961-H963 VanDerWaalsContact C-N 3.26Å; D961-H963 PolarHBondContact O-N 3.29Å; H963-I965 PolarHBondContact O-N 2.84Å; H963-A966 PolarHBondContact O-N 3.48Å; H963-L967 VanDerWaalsContact O-CG 3.31Å; H963-L967 WeakPolarHBondContact O-CG 3.48Å; H963-L967 PolarHBondContact O-N 2.92Å |
| 964 | L | 94.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.3 | -37.1 | 178.4 | -68.7 | 173.5 | 0 | 0 | 0 | 112.8 | T552 L553 Y556 I960 D961 L967 K968 F981 F987 M990 | T552-L964 HydrophobicContact CG2-CD2 3.98Å; T552-L964 HydrophobicContact CG2-CG 3.93Å; L553-L964 HydrophobicContact CD2-CD2 4.42Å; Y556-L964 HydrophobicContact CD2-CD1 3.96Å; Y556-L964 HydrophobicContact CG-CD1 4.43Å; I960-L964 HydrophobicContact CB-CD1 4.31Å; I960-L964 HydrophobicContact CD1-CD1 4.5Å; I960-L964 HydrophobicContact CG1-CD1 4.47Å; I960-L964 WeakPolarHBondContact O-CB 3.18Å; I960-L964 VanDerWaalsContact O-CG 3.28Å; I960-L964 WeakPolarHBondContact O-CG 3.3Å; I960-L964 PolarHBondContact O-N 3.28Å; D961-L964 PolarHBondContact O-N 3.13Å; L964-L967 PolarHBondContact O-N 3.31Å; L964-K968 WeakPolarHBondContact O-CB 3.48Å; L964-K968 PolarHBondContact O-N 3.33Å; L964-F981 HydrophobicContact CD2-CE1 4.03Å; L964-F981 HydrophobicContact CD2-CZ 4.11Å; L964-F987 HydrophobicContact CB-CE2 4.16Å; L964-F987 HydrophobicContact CB-CZ 4.3Å; L964-F987 HydrophobicContact CD1-CE2 4.32Å; L964-F987 HydrophobicContact CD2-CE2 4.5Å; L964-M990 HydrophobicContact CD1-CE 3.93Å; L964-M990 HydrophobicContact CD1-SD 3.95Å |
| 965 | I | 91.6 | Very high | 91.4 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.015 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.9 | -47.7 | 174.3 | -71.7 | 163.9 | 0 | 0 | 0 | 110.5 | F605 W606 M610 D961 N962 H963 L967 K968 E969 F991 | F605-I965 HydrophobicContact CB-CG2 4.4Å; W606-I965 HydrophobicContact CE3-CD1 3.69Å; W606-I965 HydrophobicContact CZ3-CD1 3.64Å; M610-I965 HydrophobicContact CE-CD1 3.38Å; M610-I965 HydrophobicContact CE-CG1 4.45Å; D961-I965 WeakPolarHBondContact O-CB 3.22Å; D961-I965 WeakPolarHBondContact O-CD1 3.48Å; D961-I965 VanDerWaalsContact O-CG1 3.22Å; D961-I965 WeakPolarHBondContact O-CG1 3.4Å; D961-I965 PolarHBondContact O-N 2.95Å; N962-I965 PolarHBondContact O-N 2.84Å; H963-I965 PolarHBondContact O-N 2.84Å; I965-L967 PolarHBondContact O-N 2.78Å; I965-K968 PolarHBondContact O-N 3Å; I965-E969 HydrophobicContact CG2-CG 4.37Å; I965-E969 WeakPolarHBondContact O-CG 3.41Å; I965-E969 PolarHBondContact O-N 2.99Å; I965-F991 HydrophobicContact CD1-CE1 3.79Å; I965-F991 HydrophobicContact CD1-CZ 4.21Å; I965-F991 HydrophobicContact CG1-CE1 3.75Å; I965-F991 HydrophobicContact CG1-CZ 3.63Å |
| 966 | A | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.5 | -42.8 | -180 | 0 | 0 | 0 | 0 | 0 | 111.5 | L591 W601 I602 F605 N962 H963 K968 E969 I970 | L591-A966 HydrophobicContact CD1-CB 3.83Å; L591-A966 HydrophobicContact CD2-CB 4.15Å; W601-A966 HydrophobicContact CE3-CB 4.11Å; W601-A966 HydrophobicContact CZ3-CB 3.59Å; I602-A966 HydrophobicContact CD1-CB 4.46Å; F605-A966 HydrophobicContact CD2-CB 3.79Å; F605-A966 HydrophobicContact CE2-CB 4.24Å; F605-A966 HydrophobicContact CG-CB 4.2Å; N962-A966 WeakPolarHBondContact O-CB 3.35Å; N962-A966 PolarHBondContact O-N 3.2Å; H963-A966 PolarHBondContact O-N 3.48Å; A966-K968 VanDerWaalsContact C-N 3.33Å; A966-K968 PolarHBondContact O-N 3.49Å; A966-E969 PolarHBondContact O-N 2.84Å; A966-I970 WeakPolarHBondContact O-CD1 3.43Å; A966-I970 WeakPolarHBondContact O-CG1 3.46Å; A966-I970 PolarHBondContact O-N 2.93Å |
| 967 | L | 95.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.3 | -41 | 174.9 | -64.9 | 173.2 | 0 | 0 | 0 | 111.9 | L549 L587 L591 H963 L964 I965 A971 F982 | L549-L967 HydrophobicContact CD1-CD1 3.89Å; L587-L967 HydrophobicContact CB-CD2 3.72Å; L591-L967 HydrophobicContact CB-CD2 4.42Å; L591-L967 HydrophobicContact CD2-CD2 4.12Å; L591-L967 HydrophobicContact CD2-CG 4.43Å; H963-L967 VanDerWaalsContact O-CG 3.31Å; H963-L967 WeakPolarHBondContact O-CG 3.48Å; H963-L967 PolarHBondContact O-N 2.92Å; L964-L967 PolarHBondContact O-N 3.31Å; I965-L967 PolarHBondContact O-N 2.78Å; L967-A971 VanDerWaalsContact O-CB 3.3Å; L967-A971 WeakPolarHBondContact O-CB 3.18Å; L967-A971 PolarHBondContact O-N 3.36Å; L967-F982 HydrophobicContact CB-CZ 3.75Å |
| 968 | K | 93.4 | Very high | 91.9 | Very high | 47 Ų | 47 | 45.5 Ų | 45.5 | 20% | 0.204 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63 | -47.3 | 175.9 | -179.9 | 177.8 | -177.1 | 171.4 | 0 | 112.1 | L964 I965 A966 I970 A971 Q972 F982 F987 D988 | L964-K968 WeakPolarHBondContact O-CB 3.48Å; L964-K968 PolarHBondContact O-N 3.33Å; I965-K968 PolarHBondContact O-N 3Å; A966-K968 VanDerWaalsContact C-N 3.33Å; A966-K968 PolarHBondContact O-N 3.49Å; K968-I970 VanDerWaalsContact C-N 3.35Å; K968-I970 PolarHBondContact O-N 3.22Å; K968-A971 WeakPolarHBondContact O-CB 3.17Å; K968-A971 PolarHBondContact O-N 3.29Å; K968-Q972 WeakPolarHBondContact O-CB 3.35Å; K968-Q972 PolarHBondContact O-N 2.92Å; K968-F982 HydrophobicContact CB-CD1 3.87Å; K968-F982 HydrophobicContact CB-CE1 3.87Å; K968-F982 HydrophobicContact CB-CG 4.26Å; K968-F982 HydrophobicContact CB-CZ 4.27Å; K968-F982 HydrophobicContact CG-CB 4.47Å; K968-F982 HydrophobicContact CG-CD1 4.21Å; K968-F982 HydrophobicContact CG-CG 4.27Å; K968-F987 HydrophobicContact CD-CE1 3.74Å; K968-F987 HydrophobicContact CD-CZ 4.31Å; K968-D988 IonicContact NZ-OD1 3.3Å |
| 969 | E | 91.4 | Very high | 91.9 | Very high | 18 Ų | 18 | 40.7 Ų | 40.7 | 8% | 0.084 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.4 | -39.7 | -179.6 | -73.7 | -74.9 | 153 | 0 | 0 | 111.6 | F605 R608 I965 A966 Q972 Q973 | F605-E969 HydrophobicContact CD1-CB 3.54Å; F605-E969 HydrophobicContact CD1-CG 3.98Å; F605-E969 HydrophobicContact CE1-CB 3.9Å; F605-E969 HydrophobicContact CG-CB 4.49Å; R608-E969 WeakPolarHBondContact CD-OE2 3.34Å; R608-E969 IonicContact NE-OE2 2.75Å; R608-E969 PolarHBondContact NE-OE2 3.31Å; I965-E969 HydrophobicContact CG2-CG 4.37Å; I965-E969 WeakPolarHBondContact O-CG 3.41Å; I965-E969 PolarHBondContact O-N 2.99Å; A966-E969 PolarHBondContact O-N 2.84Å; E969-Q972 PolarHBondContact O-N 3.49Å; E969-Q973 WeakPolarHBondContact O-CG 3.46Å; E969-Q973 PolarHBondContact O-N 3.1Å |
| 970 | I | 94.2 | Very high | 92 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.015 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.2 | -46.1 | 173.6 | -64.6 | 165.2 | 0 | 0 | 0 | 109.9 | L587 E590 L591 I594 F605 A966 K968 Q972 Q973 K974 | L587-I970 HydrophobicContact CD2-CB 4.17Å; L587-I970 HydrophobicContact CD2-CG2 3.61Å; E590-I970 HydrophobicContact CB-CG2 4.3Å; E590-I970 HydrophobicContact CG-CG2 3.99Å; L591-I970 HydrophobicContact CB-CD1 3.86Å; L591-I970 HydrophobicContact CD1-CD1 3.9Å; L591-I970 HydrophobicContact CG-CD1 4.45Å; I594-I970 HydrophobicContact CD1-CD1 3.77Å; I594-I970 HydrophobicContact CD1-CG1 4.13Å; F605-I970 HydrophobicContact CE1-CG1 4.38Å; F605-I970 HydrophobicContact CZ-CD1 4.46Å; F605-I970 HydrophobicContact CZ-CG1 4.09Å; A966-I970 WeakPolarHBondContact O-CD1 3.43Å; A966-I970 WeakPolarHBondContact O-CG1 3.46Å; A966-I970 PolarHBondContact O-N 2.93Å; K968-I970 VanDerWaalsContact C-N 3.35Å; K968-I970 PolarHBondContact O-N 3.22Å; I970-Q972 VanDerWaalsContact C-N 3.26Å; I970-Q972 PolarHBondContact O-N 3.49Å; I970-Q973 PolarHBondContact O-N 2.84Å; I970-Q973 VanDerWaalsContact O-N 3.12Å; I970-K974 VanDerWaalsContact O-CB 3.28Å; I970-K974 WeakPolarHBondContact O-CB 3.22Å; I970-K974 PolarHBondContact O-N 3.27Å |
| 971 | A | 94.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.6 | -39.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L587 L967 K968 Q973 K974 Y975 M978 P979 F982 | L587-A971 HydrophobicContact CD1-CB 3.84Å; L587-A971 HydrophobicContact CD2-CB 4.04Å; L967-A971 VanDerWaalsContact O-CB 3.3Å; L967-A971 WeakPolarHBondContact O-CB 3.18Å; L967-A971 PolarHBondContact O-N 3.36Å; K968-A971 WeakPolarHBondContact O-CB 3.17Å; K968-A971 PolarHBondContact O-N 3.29Å; A971-Q973 VanDerWaalsContact C-N 3.28Å; A971-Q973 PolarHBondContact O-N 3.23Å; A971-K974 PolarHBondContact O-N 2.56Å; A971-Y975 HydrophobicContact CB-CD2 4.03Å; A971-Y975 HydrophobicContact CB-CE2 4.34Å; A971-Y975 PolarHBondContact O-N 2.99Å; A971-M978 HydrophobicContact CB-SD 3.94Å; A971-P979 HydrophobicContact CB-CG 4.26Å; A971-F982 HydrophobicContact CB-CD2 4.1Å; A971-F982 HydrophobicContact CB-CE2 4Å |
| 972 | Q | 90.5 | Very high | 91.9 | Very high | 113 Ų | 113 | 43.9 Ų | 43.9 | 53% | 0.528 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.3 | -32.1 | 178.3 | -163.3 | 156.5 | -4.9 | 0 | 0 | 113.4 | K968 E969 I970 M978 | K968-Q972 WeakPolarHBondContact O-CB 3.35Å; K968-Q972 PolarHBondContact O-N 2.92Å; E969-Q972 PolarHBondContact O-N 3.49Å; I970-Q972 VanDerWaalsContact C-N 3.26Å; I970-Q972 PolarHBondContact O-N 3.49Å; Q972-M978 HydrophobicContact CB-CE 3.59Å; Q972-M978 HydrophobicContact CG-CE 3.72Å |
| 973 | Q | 88.6 | Confident | 91.7 | Very high | 137 Ų | 137 | 46.6 Ų | 46.6 | 64% | 0.64 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -82.7 | -28.8 | 177.8 | -66.7 | 173.6 | 30.5 | 0 | 0 | 111.9 | E969 I970 A971 | E969-Q973 WeakPolarHBondContact O-CG 3.46Å; E969-Q973 PolarHBondContact O-N 3.1Å; I970-Q973 PolarHBondContact O-N 2.84Å; I970-Q973 VanDerWaalsContact O-N 3.12Å; A971-Q973 VanDerWaalsContact C-N 3.28Å; A971-Q973 PolarHBondContact O-N 3.23Å |
| 974 | K | 91.5 | Very high | 91.1 | Very high | 74 Ų | 74 | 47.4 Ų | 47.4 | 32% | 0.322 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -91.1 | -38.4 | -171.1 | -172.2 | 170.3 | -168.6 | 160.2 | 0 | 114 | E586 L587 E590 I970 A971 | E586-K974 WeakPolarHBondContact OE1-CE 3.41Å; E586-K974 IonicContact OE1-NZ 3.93Å; E586-K974 PolarHBondContact OE1-NZ 2.86Å; E586-K974 IonicContact OE2-NZ 3.56Å; L587-K974 HydrophobicContact CD2-CD 4.28Å; E590-K974 WeakPolarHBondContact OE2-CD 3.05Å; E590-K974 IonicContact OE2-NZ 2.78Å; E590-K974 PolarHBondContact OE2-NZ 3.36Å; I970-K974 VanDerWaalsContact O-CB 3.28Å; I970-K974 WeakPolarHBondContact O-CB 3.22Å; I970-K974 PolarHBondContact O-N 3.27Å; A971-K974 PolarHBondContact O-N 2.56Å |
| 975 | Y | 91.1 | Very high | 90.5 | Very high | 56 Ų | 56 | 55.6 Ų | 55.6 | 22% | 0.22 | 27% | 0.271 | C | S | . | . | trans | -111.5 | 135.9 | -173.2 | -56 | -63.7 | 0 | 0 | 0 | 111.4 | E583 E586 L587 A971 K977 P979 | E583-Y975 HydrophobicContact CB-CE2 4.24Å; E583-Y975 HydrophobicContact CG-CE2 4.25Å; E586-Y975 PolarHBondContact OE2-OH 2.76Å; L587-Y975 HydrophobicContact CD1-CE2 4.33Å; L587-Y975 HydrophobicContact CD2-CE2 3.98Å; L587-Y975 HydrophobicContact CG-CE2 4.31Å; A971-Y975 HydrophobicContact CB-CD2 4.03Å; A971-Y975 HydrophobicContact CB-CE2 4.34Å; A971-Y975 PolarHBondContact O-N 2.99Å; Y975-K977 VanDerWaalsContact C-N 3.28Å; Y975-K977 VanDerWaalsContact CB-O 3.28Å; Y975-K977 WeakPolarHBondContact CB-O 3.33Å; Y975-K977 PolarHBondContact O-N 3.18Å; Y975-P979 HydrophobicContact CD2-CG 4.07Å; Y975-P979 HydrophobicContact CE2-CG 4.21Å | ||
| 976 | D | 88.1 | Confident | 90 | Very high | 186 Ų | 186 | 56.8 Ų | 56.8 | 100% | 0.995 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -64.8 | -35 | 171.8 | -68.9 | -33 | 0 | 0 | 0 | 111.9 | ||
| 977 | K | 90.2 | Very high | 89.6 | Confident | 148 Ų | 148 | 56.8 Ų | 56.8 | 64% | 0.643 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -113.4 | 123.3 | 173 | -170.9 | -166 | 170.5 | -144.9 | 0 | 108.7 | Y975 D980 | Y975-K977 VanDerWaalsContact C-N 3.28Å; Y975-K977 VanDerWaalsContact CB-O 3.28Å; Y975-K977 WeakPolarHBondContact CB-O 3.33Å; Y975-K977 PolarHBondContact O-N 3.18Å; K977-D980 IonicContact NZ-OD1 3.62Å; K977-D980 PolarHBondContact NZ-OD1 3.06Å |
| 978 | M | 91.5 | Very high | 88.8 | Confident | 38 Ų | 38 | 60.9 Ų | 60.9 | 19% | 0.187 | 30% | 0.298 | C | S | . | . | trans | -59.4 | 139.7 | 175.9 | -170.6 | 67.1 | 61.9 | 0 | 0 | 111.3 | A971 Q972 F982 S983 | A971-M978 HydrophobicContact CB-SD 3.94Å; Q972-M978 HydrophobicContact CB-CE 3.59Å; Q972-M978 HydrophobicContact CG-CE 3.72Å; M978-F982 HydrophobicContact CG-CB 3.66Å; M978-F982 HydrophobicContact SD-CB 3.86Å; M978-F982 HydrophobicContact SD-CD2 4.1Å; M978-F982 HydrophobicContact SD-CG 4.34Å; M978-S983 WeakPolarHBondContact CB-OG 3.28Å; M978-S983 WeakPolarHBondContact CG-OG 3.25Å; M978-S983 PolarHBondContact O-OG 3.49Å | ||
| 979 | P | 92.2 | Very high | 87.9 | Confident | 9 Ų | 9 | 60.5 Ų | 60.5 | 6% | 0.058 | 30% | 0.302 | C | S | . | . | trans | -52.1 | 144.5 | 171.7 | -28 | 35.1 | 0 | 0 | 0 | 112 | F579 E583 A971 Y975 F981 F982 S983 | F579-P979 HydrophobicContact CD2-CB 4.18Å; F579-P979 HydrophobicContact CE2-CB 4.37Å; F579-P979 HydrophobicContact CE2-CG 4.5Å; E583-P979 HydrophobicContact CB-CG 4.3Å; E583-P979 HydrophobicContact CG-CG 4.17Å; A971-P979 HydrophobicContact CB-CG 4.26Å; Y975-P979 HydrophobicContact CD2-CG 4.07Å; Y975-P979 HydrophobicContact CE2-CG 4.21Å; P979-F981 PolarHBondContact O-N 3.36Å; P979-F982 HydrophobicContact CB-CD2 4.06Å; P979-F982 HydrophobicContact CG-CD2 4.01Å; P979-F982 HydrophobicContact CG-CE2 4.47Å; P979-F982 PolarHBondContact O-N 3.02Å; P979-S983 PolarHBondContact O-N 3.13Å; P979-S983 VanDerWaalsContact O-N 3.15Å; P979-S983 PolarHBondContact O-OG 3.32Å | ||
| 980 | D | 89.6 | Confident | 87.2 | Confident | 81 Ų | 81 | 59.7 Ų | 59.7 | 43% | 0.433 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.8 | -34.3 | -174.1 | -64.2 | -32.7 | 0 | 0 | 0 | 111.2 | K977 F982 S983 N984 | K977-D980 IonicContact NZ-OD1 3.62Å; K977-D980 PolarHBondContact NZ-OD1 3.06Å; D980-F982 PolarHBondContact O-N 2.92Å; D980-S983 CarbonylContact O-C 3.45Å; D980-S983 PolarHBondContact O-N 2.96Å; D980-S983 VanDerWaalsContact O-N 3.1Å; D980-N984 PolarHBondContact O-N 3.3Å |
| 981 | F | 90.3 | Very high | 86.3 | Confident | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.009 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -53.8 | -46.1 | 172.9 | 170.9 | -113 | 0 | 0 | 0 | 113.8 | L553 Y556 L576 F579 L964 P979 S983 N984 F987 | L553-F981 HydrophobicContact CD2-CZ 4.38Å; Y556-F981 HydrophobicContact CD1-CE2 4.02Å; Y556-F981 HydrophobicContact CD1-CZ 4.32Å; Y556-F981 AromaticContact CE1-CE2 3.54Å; Y556-F981 HydrophobicContact CE1-CE2 3.54Å; Y556-F981 HydrophobicContact CE1-CZ 4.15Å; Y556-F981 AromaticContact CZ-CE2 3.89Å; L576-F981 HydrophobicContact CB-CD2 4.41Å; L576-F981 HydrophobicContact CD1-CE2 4.09Å; F579-F981 HydrophobicContact CB-CB 3.91Å; F579-F981 HydrophobicContact CB-CG 4.31Å; F579-F981 AromaticContact CD1-CD1 3.94Å; F579-F981 HydrophobicContact CD1-CD1 3.94Å; F579-F981 HydrophobicContact CD1-CE1 4.38Å; F579-F981 HydrophobicContact CD1-CG 4.39Å; F579-F981 HydrophobicContact CD2-CB 4.24Å; F579-F981 HydrophobicContact CD2-CD1 4.29Å; F579-F981 HydrophobicContact CE1-CD1 4.12Å; F579-F981 HydrophobicContact CE1-CE1 4.33Å; F579-F981 HydrophobicContact CE2-CD1 4.44Å; F579-F981 HydrophobicContact CG-CB 4.06Å; F579-F981 HydrophobicContact CG-CD1 4.03Å; F579-F981 HydrophobicContact CG-CG 4.19Å; F579-F981 HydrophobicContact CZ-CD1 4.36Å; L964-F981 HydrophobicContact CD2-CE1 4.03Å; L964-F981 HydrophobicContact CD2-CZ 4.11Å; P979-F981 PolarHBondContact O-N 3.36Å; F981-S983 VanDerWaalsContact C-N 3.32Å; F981-N984 PolarHBondContact O-ND2 3.44Å; F981-N984 PolarHBondContact O-OD1 2.7Å; F981-F987 AromaticContact CE1-CD2 3.85Å; F981-F987 HydrophobicContact CE1-CD2 3.85Å; F981-F987 AromaticContact CE1-CE2 3.79Å; F981-F987 HydrophobicContact CE1-CE2 3.79Å; F981-F987 HydrophobicContact CE2-CD2 4.11Å; F981-F987 AromaticContact CZ-CD2 3.62Å; F981-F987 HydrophobicContact CZ-CD2 3.62Å; F981-F987 AromaticContact CZ-CE2 3.85Å; F981-F987 HydrophobicContact CZ-CE2 3.85Å; F981-F987 WeakPolarHBondContact O-CB 3.36Å |
| 982 | F | 90.8 | Very high | 85.5 | Confident | 3 Ų | 3 | 64.7 Ų | 64.7 | 1% | 0.013 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -81.4 | -14.3 | 179.5 | -66.3 | -54.5 | 0 | 0 | 0 | 113.3 | F579 L587 L967 K968 A971 M978 P979 D980 F987 | F579-F982 HydrophobicContact CE1-CZ 4.42Å; F579-F982 HydrophobicContact CE2-CD2 4.32Å; F579-F982 AromaticContact CE2-CE2 3.57Å; F579-F982 HydrophobicContact CE2-CE2 3.57Å; F579-F982 HydrophobicContact CE2-CZ 4.06Å; F579-F982 AromaticContact CZ-CE2 3.66Å; F579-F982 HydrophobicContact CZ-CE2 3.66Å; F579-F982 AromaticContact CZ-CZ 3.67Å; F579-F982 HydrophobicContact CZ-CZ 3.67Å; L587-F982 HydrophobicContact CD1-CE2 4.06Å; L967-F982 HydrophobicContact CB-CZ 3.75Å; K968-F982 HydrophobicContact CB-CD1 3.87Å; K968-F982 HydrophobicContact CB-CE1 3.87Å; K968-F982 HydrophobicContact CB-CG 4.26Å; K968-F982 HydrophobicContact CB-CZ 4.27Å; K968-F982 HydrophobicContact CG-CB 4.47Å; K968-F982 HydrophobicContact CG-CD1 4.21Å; K968-F982 HydrophobicContact CG-CG 4.27Å; A971-F982 HydrophobicContact CB-CD2 4.1Å; A971-F982 HydrophobicContact CB-CE2 4Å; M978-F982 HydrophobicContact CG-CB 3.66Å; M978-F982 HydrophobicContact SD-CB 3.86Å; M978-F982 HydrophobicContact SD-CD2 4.1Å; M978-F982 HydrophobicContact SD-CG 4.34Å; P979-F982 HydrophobicContact CB-CD2 4.06Å; P979-F982 HydrophobicContact CG-CD2 4.01Å; P979-F982 HydrophobicContact CG-CE2 4.47Å; P979-F982 PolarHBondContact O-N 3.02Å; D980-F982 PolarHBondContact O-N 2.92Å; F982-F987 HydrophobicContact CD1-CD1 4.31Å; F982-F987 HydrophobicContact CD1-CD2 4.12Å; F982-F987 AromaticContact CD1-CE1 3.84Å; F982-F987 HydrophobicContact CD1-CE1 3.84Å; F982-F987 AromaticContact CD1-CE2 3.61Å; F982-F987 HydrophobicContact CD1-CE2 3.61Å; F982-F987 HydrophobicContact CD1-CG 4.44Å; F982-F987 AromaticContact CD1-CZ 3.45Å; F982-F987 HydrophobicContact CD1-CZ 3.45Å; F982-F987 VanDerWaalsContact CD1-CZ 3.45Å; F982-F987 AromaticContact CE1-CE2 3.77Å; F982-F987 HydrophobicContact CE1-CE2 3.77Å; F982-F987 AromaticContact CE1-CZ 3.75Å; F982-F987 HydrophobicContact CE1-CZ 3.75Å |
| 983 | S | 86.1 | Confident | 84.9 | Confident | 61 Ų | 61 | 61.5 Ų | 61.5 | 43% | 0.427 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -96.1 | -6.7 | -179.4 | -51.4 | 0 | 0 | 0 | 0 | 112.6 | M978 P979 D980 F981 | M978-S983 WeakPolarHBondContact CB-OG 3.28Å; M978-S983 WeakPolarHBondContact CG-OG 3.25Å; M978-S983 PolarHBondContact O-OG 3.49Å; P979-S983 PolarHBondContact O-N 3.13Å; P979-S983 VanDerWaalsContact O-N 3.15Å; P979-S983 PolarHBondContact O-OG 3.32Å; D980-S983 CarbonylContact O-C 3.45Å; D980-S983 PolarHBondContact O-N 2.96Å; D980-S983 VanDerWaalsContact O-N 3.1Å; F981-S983 VanDerWaalsContact C-N 3.32Å |
| 984 | N | 83.6 | Confident | 84.2 | Confident | 17 Ų | 17 | 61.7 Ų | 61.7 | 9% | 0.091 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -78.6 | 149.9 | -178.3 | 76.8 | 28.1 | 0 | 0 | 0 | 111.2 | E575 D980 F981 Q986 F987 D988 | E575-N984 VanDerWaalsContact OE2-CB 3.31Å; E575-N984 WeakPolarHBondContact OE2-CB 3.37Å; E575-N984 PolarHBondContact OE2-ND2 3.18Å; D980-N984 PolarHBondContact O-N 3.3Å; F981-N984 PolarHBondContact O-ND2 3.44Å; F981-N984 PolarHBondContact O-OD1 2.7Å; N984-Q986 PolarHBondContact O-N 2.81Å; N984-Q986 PolarHBondContact OD1-N 2.9Å; N984-F987 PolarHBondContact O-N 3.41Å; N984-F987 WeakPolarHBondContact OD1-CA 3.5Å; N984-F987 WeakPolarHBondContact OD1-CB 3.45Å; N984-F987 PolarHBondContact OD1-N 3.43Å; N984-D988 PolarHBondContact O-N 2.84Å |
| 985 | Q | 81 | Confident | 83.4 | Confident | 172 Ų | 172 | 62.4 Ų | 62.4 | 80% | 0.804 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -64.4 | -26.8 | -178.7 | -170.5 | 177.4 | 5 | 0 | 0 | 112.3 | S989 | Q985-S989 WeakPolarHBondContact O-CB 3.31Å; Q985-S989 PolarHBondContact O-N 2.77Å |
| 986 | Q | 82.2 | Confident | 82.8 | Confident | 28 Ų | 28 | 61.1 Ų | 61.1 | 13% | 0.131 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.3 | -40.6 | -179.6 | -169.7 | 64.2 | 33.3 | 0 | 0 | 111.7 | V560 V572 N984 S989 M990 | V560-Q986 HydrophobicContact CG1-CG 3.96Å; V560-Q986 HydrophobicContact CG2-CG 4.1Å; V572-Q986 HydrophobicContact CG2-CB 3.65Å; V572-Q986 HydrophobicContact CG2-CG 3.84Å; N984-Q986 PolarHBondContact O-N 2.81Å; N984-Q986 PolarHBondContact OD1-N 2.9Å; Q986-S989 PolarHBondContact NE2-OG 3.48Å; Q986-S989 WeakPolarHBondContact O-CB 3.49Å; Q986-S989 PolarHBondContact O-N 3.22Å; Q986-S989 PolarHBondContact O-OG 3.26Å; Q986-M990 PolarHBondContact O-N 3.47Å |
| 987 | F | 86.3 | Confident | 82.2 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.5 | -43.2 | 176.9 | -176.6 | -85.5 | 0 | 0 | 0 | 110.2 | Y556 L964 K968 F981 F982 N984 S989 M990 F991 | Y556-F987 HydrophobicContact CE2-CD2 4.37Å; L964-F987 HydrophobicContact CB-CE2 4.16Å; L964-F987 HydrophobicContact CB-CZ 4.3Å; L964-F987 HydrophobicContact CD1-CE2 4.32Å; L964-F987 HydrophobicContact CD2-CE2 4.5Å; K968-F987 HydrophobicContact CD-CE1 3.74Å; K968-F987 HydrophobicContact CD-CZ 4.31Å; F981-F987 AromaticContact CE1-CD2 3.85Å; F981-F987 HydrophobicContact CE1-CD2 3.85Å; F981-F987 AromaticContact CE1-CE2 3.79Å; F981-F987 HydrophobicContact CE1-CE2 3.79Å; F981-F987 HydrophobicContact CE2-CD2 4.11Å; F981-F987 AromaticContact CZ-CD2 3.62Å; F981-F987 HydrophobicContact CZ-CD2 3.62Å; F981-F987 AromaticContact CZ-CE2 3.85Å; F981-F987 HydrophobicContact CZ-CE2 3.85Å; F981-F987 WeakPolarHBondContact O-CB 3.36Å; F982-F987 HydrophobicContact CD1-CD1 4.31Å; F982-F987 HydrophobicContact CD1-CD2 4.12Å; F982-F987 AromaticContact CD1-CE1 3.84Å; F982-F987 HydrophobicContact CD1-CE1 3.84Å; F982-F987 AromaticContact CD1-CE2 3.61Å; F982-F987 HydrophobicContact CD1-CE2 3.61Å; F982-F987 HydrophobicContact CD1-CG 4.44Å; F982-F987 AromaticContact CD1-CZ 3.45Å; F982-F987 HydrophobicContact CD1-CZ 3.45Å; F982-F987 VanDerWaalsContact CD1-CZ 3.45Å; F982-F987 AromaticContact CE1-CE2 3.77Å; F982-F987 HydrophobicContact CE1-CE2 3.77Å; F982-F987 AromaticContact CE1-CZ 3.75Å; F982-F987 HydrophobicContact CE1-CZ 3.75Å; N984-F987 PolarHBondContact O-N 3.41Å; N984-F987 WeakPolarHBondContact OD1-CA 3.5Å; N984-F987 WeakPolarHBondContact OD1-CB 3.45Å; N984-F987 PolarHBondContact OD1-N 3.43Å; F987-S989 VanDerWaalsContact C-N 3.32Å; F987-S989 PolarHBondContact O-N 3.14Å; F987-M990 WeakPolarHBondContact O-CB 3.2Å; F987-M990 PolarHBondContact O-N 3.01Å; F987-F991 HydrophobicContact CD1-CE2 4.22Å; F987-F991 HydrophobicContact CE1-CD2 4.13Å; F987-F991 AromaticContact CE1-CE2 3.47Å; F987-F991 HydrophobicContact CE1-CE2 3.47Å; F987-F991 VanDerWaalsContact CE1-CE2 3.47Å; F987-F991 HydrophobicContact CE2-CE2 4.4Å; F987-F991 AromaticContact CZ-CE2 3.59Å; F987-F991 HydrophobicContact CZ-CE2 3.59Å; F987-F991 HydrophobicContact CZ-CZ 4.27Å |
| 988 | D | 78.4 | Confident | 81.6 | Confident | 85 Ų | 85 | 49 Ų | 49 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.3 | -39 | 173.7 | -74.9 | -21.2 | 0 | 0 | 0 | 111.8 | K968 N984 M990 F991 N992 | K968-D988 IonicContact NZ-OD1 3.3Å; N984-D988 PolarHBondContact O-N 2.84Å; D988-M990 PolarHBondContact O-N 3.48Å; D988-F991 PolarHBondContact O-N 2.85Å; D988-F991 VanDerWaalsContact O-N 3.12Å; D988-N992 PolarHBondContact O-N 2.81Å |
| 989 | S | 73.4 | Confident | 80.8 | Confident | 40 Ų | 40 | 49.5 Ų | 49.5 | 28% | 0.28 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.6 | -24.2 | 174.2 | 84.5 | 0 | 0 | 0 | 0 | 112.9 | Q985 Q986 F987 F991 N992 | Q985-S989 WeakPolarHBondContact O-CB 3.31Å; Q985-S989 PolarHBondContact O-N 2.77Å; Q986-S989 PolarHBondContact NE2-OG 3.48Å; Q986-S989 WeakPolarHBondContact O-CB 3.49Å; Q986-S989 PolarHBondContact O-N 3.22Å; Q986-S989 PolarHBondContact O-OG 3.26Å; F987-S989 VanDerWaalsContact C-N 3.32Å; F987-S989 PolarHBondContact O-N 3.14Å; S989-F991 PolarHBondContact O-N 3.04Å; S989-N992 WeakPolarHBondContact O-CB 3.16Å; S989-N992 PolarHBondContact O-N 2.96Å |
| 990 | M | 77.3 | Confident | 79.5 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.5 | -31.8 | 176.4 | -155.5 | -159.5 | 55 | 0 | 0 | 111.8 | Y556 Y559 R898 L964 Q986 F987 D988 F993 | Y556-M990 HydrophobicContact CD2-CG 4.39Å; Y556-M990 HydrophobicContact CD2-SD 3.43Å; Y556-M990 WeakPolarHBondContact CD2-SD 3.36Å; Y556-M990 HydrophobicContact CE2-CB 4.41Å; Y556-M990 HydrophobicContact CE2-CG 4.01Å; Y556-M990 HydrophobicContact CE2-SD 3.49Å; Y556-M990 WeakPolarHBondContact CE2-SD 3.46Å; Y559-M990 HydrophobicContact CD1-CG 4.09Å; Y559-M990 HydrophobicContact CE1-CG 3.77Å; R898-M990 VanDerWaalsContact CZ-CG 3.44Å; R898-M990 PolarHBondContact NH1-O 3.01Å; R898-M990 VanDerWaalsContact NH2-CG 3.32Å; R898-M990 PolarHBondContact NH2-O 2.95Å; L964-M990 HydrophobicContact CD1-CE 3.93Å; L964-M990 HydrophobicContact CD1-SD 3.95Å; Q986-M990 PolarHBondContact O-N 3.47Å; F987-M990 WeakPolarHBondContact O-CB 3.2Å; F987-M990 PolarHBondContact O-N 3.01Å; D988-M990 PolarHBondContact O-N 3.48Å; M990-F993 WeakPolarHBondContact O-CE1 3.08Å |
| 991 | F | 75.8 | Confident | 77.8 | Confident | 47 Ų | 47 | 47.5 Ų | 47.5 | 21% | 0.206 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 1.5 | 177.6 | -63.2 | -74.4 | 0 | 0 | 0 | 113.3 | M610 I965 F987 D988 S989 F993 | M610-F991 HydrophobicContact CE-CD1 3.8Å; M610-F991 HydrophobicContact CE-CE1 3.89Å; I965-F991 HydrophobicContact CD1-CE1 3.79Å; I965-F991 HydrophobicContact CD1-CZ 4.21Å; I965-F991 HydrophobicContact CG1-CE1 3.75Å; I965-F991 HydrophobicContact CG1-CZ 3.63Å; F987-F991 HydrophobicContact CD1-CE2 4.22Å; F987-F991 HydrophobicContact CE1-CD2 4.13Å; F987-F991 AromaticContact CE1-CE2 3.47Å; F987-F991 HydrophobicContact CE1-CE2 3.47Å; F987-F991 VanDerWaalsContact CE1-CE2 3.47Å; F987-F991 HydrophobicContact CE2-CE2 4.4Å; F987-F991 AromaticContact CZ-CE2 3.59Å; F987-F991 HydrophobicContact CZ-CE2 3.59Å; F987-F991 HydrophobicContact CZ-CZ 4.27Å; D988-F991 PolarHBondContact O-N 2.85Å; D988-F991 VanDerWaalsContact O-N 3.12Å; S989-F991 PolarHBondContact O-N 3.04Å; F991-F993 HydrophobicContact CB-CE2 4.49Å; F991-F993 HydrophobicContact CD1-CE2 4.24Å; F991-F993 AromaticContact CD1-CZ 3.96Å; F991-F993 HydrophobicContact CD1-CZ 3.96Å; F991-F993 WeakPolarHBondContact O-CD2 3.44Å; F991-F993 PolarHBondContact O-N 3.48Å; F991-F993 VanDerWaalsContact O-N 3.13Å |
| 992 | N | 77.3 | Confident | 75.6 | Confident | 61 Ų | 61 | 49.2 Ų | 49.2 | 33% | 0.326 | 26% | 0.255 | S | S | . | . | trans | -83.1 | 77.9 | 170.2 | -173.4 | 12.7 | 0 | 0 | 0 | 110.4 | D988 S989 R994 V1023 | D988-N992 PolarHBondContact O-N 2.81Å; S989-N992 WeakPolarHBondContact O-CB 3.16Å; S989-N992 PolarHBondContact O-N 2.96Å; N992-R994 PolarHBondContact O-N 3.12Å; N992-V1023 WeakPolarHBondContact OD1-CB 3.49Å; N992-V1023 VanDerWaalsContact OD1-CG1 3.22Å; N992-V1023 WeakPolarHBondContact OD1-CG1 3.24Å; N992-V1023 WeakPolarHBondContact OD1-CG2 3.35Å | ||
| 993 | F | 77.1 | Confident | 73.2 | Confident | 46 Ų | 46 | 50.3 Ų | 50.3 | 20% | 0.202 | 27% | 0.267 | C | S | . | . | trans | -74.9 | 82.3 | -175.5 | -56.3 | -65.2 | 0 | 0 | 0 | 112.8 | N896 M990 F991 L995 V1022 V1023 | N896-F993 WeakPolarHBondContact ND2-CE1 3.44Å; N896-F993 WeakPolarHBondContact ND2-CZ 3.32Å; M990-F993 WeakPolarHBondContact O-CE1 3.08Å; F991-F993 HydrophobicContact CB-CE2 4.49Å; F991-F993 HydrophobicContact CD1-CE2 4.24Å; F991-F993 AromaticContact CD1-CZ 3.96Å; F991-F993 HydrophobicContact CD1-CZ 3.96Å; F991-F993 WeakPolarHBondContact O-CD2 3.44Å; F991-F993 PolarHBondContact O-N 3.48Å; F991-F993 VanDerWaalsContact O-N 3.13Å; F993-L995 PolarHBondContact O-N 3.48Å; F993-L995 VanDerWaalsContact O-N 3.14Å; F993-V1022 HydrophobicContact CB-CG2 3.76Å; F993-V1022 HydrophobicContact CD2-CG2 4.46Å; F993-V1023 WeakPolarHBondContact O-CG2 3.36Å | ||
| 994 | R | 74.8 | Confident | 70.8 | Confident | 140 Ų | 140 | 55.1 Ų | 55.1 | 53% | 0.528 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -59.2 | -21.5 | 175.3 | -72.8 | -176.3 | 169.7 | -174.4 | -5.5 | 114.4 | N992 D1025 G1026 Y1027 | N992-R994 PolarHBondContact O-N 3.12Å; R994-D1025 IonicContact CZ-OD2 2.85Å; R994-D1025 IonicContact NE-OD2 2.74Å; R994-D1025 PolarHBondContact NE-OD2 2.7Å; R994-D1025 IonicContact NH2-OD2 2.69Å; R994-D1025 PolarHBondContact NH2-OD2 3.43Å; R994-G1026 CarbonylContact O-C 3.48Å; R994-G1026 WeakPolarHBondContact O-CA 3.21Å; R994-Y1027 PolarHBondContact O-N 3.44Å |
| 995 | L | 74.5 | Confident | 68.4 | Low | 90 Ų | 90 | 61.5 Ų | 61.5 | 47% | 0.471 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 108.9 | 169.7 | -179 | 62.6 | 0 | 0 | 0 | 108.6 | F993 T997 C1029 F1056 | F993-L995 PolarHBondContact O-N 3.48Å; F993-L995 VanDerWaalsContact O-N 3.14Å; L995-T997 HydrophobicContact CD1-CG2 3.98Å; L995-T997 HydrophobicContact CD2-CG2 4.17Å; L995-T997 HydrophobicContact CG-CG2 3.66Å; L995-C1029 HydrophobicContact CD1-CB 4.14Å; L995-F1056 HydrophobicContact CD1-CE2 4.08Å; L995-F1056 HydrophobicContact CD1-CZ 3.86Å; L995-F1056 HydrophobicContact CD2-CZ 4.41Å |
| 996 | S | 77.4 | Confident | 65.9 | Low | 29 Ų | 29 | 60.4 Ų | 60.4 | 20% | 0.203 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 122.6 | 176.7 | 177 | 0 | 0 | 0 | 0 | 110.1 | Y1027 C1029 | S996-Y1027 PolarHBondContact N-O 3.31Å; S996-C1029 PolarHBondContact O-N 3.33Å |
| 997 | T | 75.8 | Confident | 63.6 | Low | 67 Ų | 67 | 65.6 Ų | 65.6 | 41% | 0.411 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 151.7 | -171.2 | 83.9 | 0 | 0 | 0 | 0 | 113.4 | L995 Y1019 C1029 | L995-T997 HydrophobicContact CD1-CG2 3.98Å; L995-T997 HydrophobicContact CD2-CG2 4.17Å; L995-T997 HydrophobicContact CG-CG2 3.66Å; T997-Y1019 WeakPolarHBondContact CA-OH 3.47Å; T997-C1029 WeakPolarHBondContact CA-O 3.04Å; T997-C1029 WeakPolarHBondContact CB-O 3.41Å; T997-C1029 HydrophobicContact CG2-CB 4.12Å |
| 998 | S | 77.9 | Confident | 61.1 | Low | 13 Ų | 13 | 69.3 Ų | 69.3 | 9% | 0.091 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 142.1 | 175 | 61.1 | 0 | 0 | 0 | 0 | 111.4 | Y1019 C1029 Y1031 | S998-Y1019 PolarHBondContact N-OH 3.23Å; S998-Y1019 WeakPolarHBondContact OG-CE1 3.28Å; S998-Y1019 PolarHBondContact OG-OH 3.43Å; S998-C1029 PolarHBondContact N-O 3.46Å; S998-Y1031 WeakPolarHBondContact O-CD1 3.23Å; S998-Y1031 PolarHBondContact O-N 3.4Å |
| 999 | Q | 74.9 | Confident | 59 | Low | 48 Ų | 48 | 73.8 Ų | 73.8 | 22% | 0.224 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 135.2 | 174.9 | -175.5 | 176 | -32.2 | 0 | 0 | 110.8 | E882 T1001 Y1031 | E882-Q999 CarbonylContact C-O 3.58Å; Q999-T1001 PolarHBondContact NE2-OG1 3.09Å; Q999-Y1031 WeakPolarHBondContact CA-O 3.49Å; Q999-Y1031 HydrophobicContact CB-CD2 4.1Å; Q999-Y1031 HydrophobicContact CB-CE2 3.48Å; Q999-Y1031 VanDerWaalsContact CB-CE2 3.48Å; Q999-Y1031 HydrophobicContact CG-CD2 4.12Å; Q999-Y1031 HydrophobicContact CG-CE2 3.77Å |
| 1000 | V | 65.3 | Low | 57 | Low | 13 Ų | 13 | 81.3 Ų | 81.3 | 8% | 0.079 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 100.4 | 174.4 | -173.9 | 0 | 0 | 0 | 0 | 108.8 | I863 Y881 V1017 Y1031 K1032 | I863-V1000 HydrophobicContact CD1-CG1 3.65Å; Y881-V1000 HydrophobicContact CD2-CG1 4.38Å; Y881-V1000 HydrophobicContact CD2-CG2 4.05Å; Y881-V1000 HydrophobicContact CE2-CG2 4.04Å; V1000-V1017 HydrophobicContact CB-CG2 4.45Å; V1000-V1017 HydrophobicContact CG1-CG2 4.01Å; V1000-V1017 HydrophobicContact CG2-CB 3.96Å; V1000-V1017 HydrophobicContact CG2-CG2 3.86Å; V1000-Y1031 PolarHBondContact N-O 3.46Å; V1000-K1032 WeakPolarHBondContact O-CB 3.24Å; V1000-K1032 WeakPolarHBondContact O-CG 3.33Å |
| 1001 | T | 52.8 | Low | 55.1 | Low | 34 Ų | 34 | 85.1 Ų | 85.1 | 21% | 0.209 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 169.9 | -176.4 | -39.5 | 0 | 0 | 0 | 0 | 111.2 | T880 Q999 | T880-T1001 CarbonylContact C-O 3.54Å; T880-T1001 PolarHBondContact N-O 3.06Å; T880-T1001 CarbonylContact O-C 3.58Å; T880-T1001 WeakPolarHBondContact O-CA 3.36Å; T880-T1001 WeakPolarHBondContact O-CB 3.35Å; T880-T1001 PolarHBondContact O-N 3.29Å; Q999-T1001 PolarHBondContact NE2-OG1 3.09Å |
| 1002 | L | 45.4 | Very low | 53.6 | Low | 39 Ų | 39 | 91.9 Ų | 91.9 | 20% | 0.204 | 46% | 0.459 | C | S | . | . | trans | -108.9 | 135.6 | 172.4 | -107.5 | 149 | 0 | 0 | 0 | 110.1 | C879 L1011 | C879-L1002 HydrophobicContact CB-CD2 4.06Å; C879-L1002 HydrophobicContact CB-CG 4.17Å; C879-L1002 VanDerWaalsContact SG-CD2 3.53Å; C879-L1002 VanDerWaalsContact SG-CG 3.52Å; L1002-L1011 HydrophobicContact CD1-CD2 3.59Å; L1002-L1011 HydrophobicContact CD2-CD2 3.45Å; L1002-L1011 VanDerWaalsContact CD2-CD2 3.45Å; L1002-L1011 HydrophobicContact CG-CD2 4.2Å | ||
| 1003 | G | 39.8 | Very low | 52.2 | Low | 25 Ų | 25 | 90.4 Ų | 90.4 | 26% | 0.258 | 45% | 0.453 | S | S | . | . | trans | -63.6 | 135.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | C879 T880 L1005 | C879-G1003 WeakPolarHBondContact O-CA 3.31Å; C879-G1003 PolarHBondContact O-N 3.25Å; C879-G1003 VanDerWaalsContact O-N 3.12Å; T880-G1003 VanDerWaalsContact CB-N 3.33Å; T880-G1003 VanDerWaalsContact N-N 3.19Å; T880-G1003 WeakPolarHBondContact OG1-CA 3.42Å; T880-G1003 PolarHBondContact OG1-N 2.93Å; G1003-L1005 PolarHBondContact O-N 2.65Å | ||
| 1004 | I | 36.4 | Very low | 51.1 | Low | 163 Ų | 163 | 93.3 Ų | 93.3 | 84% | 0.836 | 47% | 0.471 | S | S | * | . | trans | -77.6 | 42.9 | -177.1 | -47.7 | 174.8 | 0 | 0 | 0 | 110.6 | ||||
| 1005 | L | 31.9 | Very low | 50.5 | Low | 151 Ų | 151 | 87.6 Ų | 87.6 | 79% | 0.791 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -105.4 | 84.3 | 166.9 | -76.8 | 168.6 | 0 | 0 | 0 | 108.5 | G1003 | G1003-L1005 PolarHBondContact O-N 2.65Š|
| 1006 | Q | 29.7 | Very low | 50 | Low | 148 Ų | 148 | 84 Ų | 84 | 69% | 0.692 | 43% | 0.431 | S | S | * | . | trans | 104 | 124.3 | 162.6 | -53.1 | -156.4 | -16.2 | 0 | 0 | 117.2 | I1008 | Q1006-I1008 VanDerWaalsContact C-N 3.27Å; Q1006-I1008 HydrophobicContact CB-CD1 4.31Å; Q1006-I1008 HydrophobicContact CB-CG1 3.89Å; Q1006-I1008 PolarHBondContact O-N 2.66Å | ||
| 1007 | P | 32.7 | Very low | 49.9 | Very low | 138 Ų | 138 | 83.4 Ų | 83.4 | 90% | 0.896 | 43% | 0.426 | S | S | * | . | trans | -78 | 84.5 | 168 | 33 | -29 | 0 | 0 | 0 | 107.3 | ||||
| 1008 | I | 34.1 | Very low | 50 | Low | 78 Ų | 78 | 80.2 Ų | 80.2 | 40% | 0.4 | 41% | 0.406 | S | S | . | . | trans | -113.1 | 112.3 | 168.1 | -47.7 | -173.5 | 0 | 0 | 0 | 108.9 | Q1006 W1010 | Q1006-I1008 VanDerWaalsContact C-N 3.27Å; Q1006-I1008 HydrophobicContact CB-CD1 4.31Å; Q1006-I1008 HydrophobicContact CB-CG1 3.89Å; Q1006-I1008 PolarHBondContact O-N 2.66Å; I1008-W1010 HydrophobicContact CG2-CG 4.04Å; I1008-W1010 PolarHBondContact O-N 2.86Å | ||
| 1009 | H | 35.4 | Very low | 50.3 | Low | 179 Ų | 179 | 80.9 Ų | 80.9 | 83% | 0.829 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 7.2 | -178.1 | -113 | -145.5 | 0 | 0 | 0 | 117.3 | ||
| 1010 | W | 31.2 | Very low | 50.7 | Low | 197 Ų | 197 | 78.8 Ų | 78.8 | 75% | 0.746 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.1 | 3.5 | -177.9 | -22.8 | 105.2 | 0 | 0 | 0 | 114.5 | I1008 K1012 | I1008-W1010 HydrophobicContact CG2-CG 4.04Å; I1008-W1010 PolarHBondContact O-N 2.86Å; W1010-K1012 PolarHBondContact O-N 2.94Å |
| 1011 | L | 37.4 | Very low | 51.3 | Low | 81 Ų | 81 | 78.3 Ų | 78.3 | 42% | 0.424 | 40% | 0.396 | S | S | . | . | trans | -81 | 52.1 | -179.1 | -121.1 | 112.9 | 0 | 0 | 0 | 113.1 | L878 L1002 C1013 | L878-L1011 HydrophobicContact CD2-CD1 3.7Å; L878-L1011 HydrophobicContact CD2-CD2 3.76Å; L878-L1011 HydrophobicContact CD2-CG 3.92Å; L1002-L1011 HydrophobicContact CD1-CD2 3.59Å; L1002-L1011 HydrophobicContact CD2-CD2 3.45Å; L1002-L1011 VanDerWaalsContact CD2-CD2 3.45Å; L1002-L1011 HydrophobicContact CG-CD2 4.2Å; L1011-C1013 HydrophobicContact CD2-CB 4.4Å; L1011-C1013 PolarHBondContact O-N 3.48Å | ||
| 1012 | K | 43.2 | Very low | 52.4 | Low | 190 Ų | 190 | 78.9 Ų | 78.9 | 83% | 0.826 | 40% | 0.399 | S | S | * | . | trans | -71.8 | 52.5 | 156.5 | -72.9 | -171.9 | 176.4 | -173.9 | 0 | 110.1 | W1010 D1014 | W1010-K1012 PolarHBondContact O-N 2.94Å; K1012-D1014 PolarHBondContact O-N 3.09Å | ||
| 1013 | C | 48 | Very low | 53.9 | Low | 30 Ų | 30 | 78.2 Ų | 78.2 | 20% | 0.203 | 40% | 0.397 | C | S | . | . | trans | -90.1 | 97.5 | 175.2 | -90.9 | 0 | 0 | 0 | 0 | 108.4 | L1011 R1015 K1032 | L1011-C1013 HydrophobicContact CD2-CB 4.4Å; L1011-C1013 PolarHBondContact O-N 3.48Å; C1013-R1015 HydrophobicContact CB-CG 4.07Å; C1013-R1015 PolarHBondContact O-N 3.44Å; C1013-K1032 PolarHBondContact O-NZ 3.28Å; C1013-K1032 VanDerWaalsContact O-NZ 3.12Å | ||
| 1014 | D | 55.4 | Low | 55.8 | Low | 107 Ų | 107 | 82.6 Ų | 82.6 | 57% | 0.572 | 41% | 0.41 | S | S | * | . | trans | -64 | 83.5 | 164.3 | -61.2 | -31 | 0 | 0 | 0 | 108 | L812 K1012 | L812-D1014 HydrophobicContact CD1-CB 3.98Å; L812-D1014 WeakPolarHBondContact CD1-O 3.49Å; L812-D1014 HydrophobicContact CD2-CB 4.06Å; K1012-D1014 PolarHBondContact O-N 3.09Å | ||
| 1015 | R | 61.5 | Low | 58 | Low | 20 Ų | 20 | 76.9 Ų | 76.9 | 8% | 0.075 | 38% | 0.382 | C | S | . | . | trans | -124.2 | 133 | 178.6 | -68.1 | 178 | -176.5 | -164.4 | -8 | 107.8 | F626 P629 S870 L878 C1013 | F626-R1015 HydrophobicContact CE2-CB 4.49Å; P629-R1015 HydrophobicContact CG-CG 4.14Å; S870-R1015 PolarHBondContact OG-NH2 3.48Å; L878-R1015 VanDerWaalsContact CB-NH1 3.31Å; L878-R1015 VanDerWaalsContact CD1-CZ 3.46Å; C1013-R1015 HydrophobicContact CB-CG 4.07Å; C1013-R1015 PolarHBondContact O-N 3.44Å | ||
| 1016 | V | 63.8 | Low | 60.3 | Low | 14 Ų | 14 | 69.7 Ų | 69.7 | 9% | 0.085 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 125.1 | -169.2 | -163 | 0 | 0 | 0 | 0 | 109.1 | A627 L812 L816 L1039 F1041 | A627-V1016 PolarHBondContact N-O 3.37Å; L812-V1016 HydrophobicContact CD1-CG2 4Å; L812-V1016 HydrophobicContact CD2-CG2 3.21Å; L812-V1016 HydrophobicContact CG-CG2 3.57Å; L816-V1016 HydrophobicContact CD2-CB 3.8Å; L816-V1016 HydrophobicContact CD2-CG1 3.54Å; V1016-L1039 HydrophobicContact CG2-CD2 3.46Å; V1016-L1039 VanDerWaalsContact CG2-CD2 3.46Å; V1016-F1041 HydrophobicContact CG1-CB 3.7Å; V1016-F1041 HydrophobicContact CG1-CD2 4.35Å; V1016-F1041 HydrophobicContact CG1-CG 4.29Å |
| 1017 | V | 74.5 | Confident | 62.7 | Low | 16 Ų | 16 | 64 Ų | 64 | 10% | 0.097 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 139.3 | 159 | 177.3 | 0 | 0 | 0 | 0 | 106.5 | G625 F626 V1000 A1030 | G625-V1017 WeakPolarHBondContact O-CA 3.18Å; F626-V1017 HydrophobicContact CB-CG2 4.49Å; F626-V1017 HydrophobicContact CD2-CB 4.35Å; F626-V1017 HydrophobicContact CD2-CG2 3.37Å; F626-V1017 HydrophobicContact CE2-CG2 3.93Å; F626-V1017 HydrophobicContact CG-CG2 4.35Å; V1000-V1017 HydrophobicContact CB-CG2 4.45Å; V1000-V1017 HydrophobicContact CG1-CG2 4.01Å; V1000-V1017 HydrophobicContact CG2-CB 3.96Å; V1000-V1017 HydrophobicContact CG2-CG2 3.86Å; V1017-A1030 WeakPolarHBondContact O-CB 3.37Å |
| 1018 | G | 79.2 | Confident | 65 | Low | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 157 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G625 I820 F1041 | G625-G1018 PolarHBondContact N-O 3.45Å; G625-G1018 PolarHBondContact O-N 3.36Å; I820-G1018 WeakPolarHBondContact CD1-O 3.46Å; G1018-F1041 VanDerWaalsContact CA-CD1 3.41Å |
| 1019 | Y | 83.5 | Confident | 67.4 | Low | 27 Ų | 27 | 54 Ų | 54 | 11% | 0.106 | 26% | 0.257 | C | S | . | . | trans | -148.6 | 161.4 | 179 | 43.6 | -91.8 | 0 | 0 | 0 | 109.2 | P624 T997 S998 C1029 A1030 S1043 | P624-Y1019 HydrophobicContact CB-CD1 4.4Å; T997-Y1019 WeakPolarHBondContact CA-OH 3.47Å; S998-Y1019 PolarHBondContact N-OH 3.23Å; S998-Y1019 WeakPolarHBondContact OG-CE1 3.28Å; S998-Y1019 PolarHBondContact OG-OH 3.43Å; Y1019-C1029 PolarHBondContact OH-O 3.23Å; Y1019-A1030 HydrophobicContact CD1-CB 4.34Å; Y1019-A1030 HydrophobicContact CE1-CB 3.63Å; Y1019-S1043 WeakPolarHBondContact O-CB 3.4Å; Y1019-S1043 PolarHBondContact O-OG 3.47Å | ||
| 1020 | G | 82.6 | Confident | 69.7 | Low | 5 Ų | 5 | 45.7 Ų | 45.7 | 5% | 0.052 | 22% | 0.219 | C | C | . | . | trans | -75.1 | 170.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V620 S1043 | V620-G1020 WeakPolarHBondContact O-CA 3.2Å; V620-G1020 PolarHBondContact O-N 2.96Å; G1020-S1043 WeakPolarHBondContact CA-OG 3.42Å | ||
| 1021 | P | 79.5 | Confident | 72 | Confident | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.013 | 19% | 0.193 | C | C | . | . | trans | -65.5 | 144.3 | 169.2 | 31 | -35.7 | 0 | 0 | 0 | 110.3 | V1023 G1026 S1043 M1045 | P1021-V1023 VanDerWaalsContact C-N 3.26Å; P1021-V1023 WeakPolarHBondContact CB-O 3.33Å; P1021-V1023 PolarHBondContact O-N 3.27Å; P1021-G1026 WeakPolarHBondContact CB-O 3.32Å; P1021-S1043 WeakPolarHBondContact CD-OG 3.47Å; P1021-M1045 HydrophobicContact CG-CE 3.76Å; P1021-M1045 HydrophobicContact CG-CG 3.71Å; P1021-M1045 HydrophobicContact CG-SD 4.16Å | ||
| 1022 | V | 76 | Confident | 73.7 | Confident | 46 Ų | 46 | 36.4 Ų | 36.4 | 28% | 0.279 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -78.9 | -12.2 | 179.4 | -63.8 | 0 | 0 | 0 | 0 | 113 | F993 | F993-V1022 HydrophobicContact CB-CG2 3.76Å; F993-V1022 HydrophobicContact CD2-CG2 4.46Å |
| 1023 | V | 76.7 | Confident | 75.1 | Confident | 26 Ų | 26 | 31 Ų | 31 | 16% | 0.158 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -138.2 | 153.4 | 177.6 | -62.5 | 0 | 0 | 0 | 0 | 110 | N992 F993 P1021 D1025 G1026 | N992-V1023 WeakPolarHBondContact OD1-CB 3.49Å; N992-V1023 VanDerWaalsContact OD1-CG1 3.22Å; N992-V1023 WeakPolarHBondContact OD1-CG1 3.24Å; N992-V1023 WeakPolarHBondContact OD1-CG2 3.35Å; F993-V1023 WeakPolarHBondContact O-CG2 3.36Å; P1021-V1023 VanDerWaalsContact C-N 3.26Å; P1021-V1023 WeakPolarHBondContact CB-O 3.33Å; P1021-V1023 PolarHBondContact O-N 3.27Å; V1023-D1025 VanDerWaalsContact C-N 3.34Å; V1023-D1025 PolarHBondContact O-N 3.06Å; V1023-G1026 PolarHBondContact O-N 3.29Å |
| 1024 | E | 79.7 | Confident | 75.8 | Confident | 116 Ų | 116 | 32.4 Ų | 32.4 | 54% | 0.542 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -33 | -170.8 | -170.4 | 167 | -167.5 | 0 | 0 | 113.3 | G1026 M1045 S1047 C1048 | E1024-G1026 VanDerWaalsContact C-N 3.3Å; E1024-G1026 PolarHBondContact O-N 3.07Å; E1024-M1045 HydrophobicContact CG-CB 4.44Å; E1024-M1045 HydrophobicContact CG-CG 4.45Å; E1024-S1047 WeakPolarHBondContact OE1-CB 3.17Å; E1024-S1047 PolarHBondContact OE1-OG 3.43Å; E1024-C1048 WeakPolarHBondContact O-CB 3.45Å |
| 1025 | D | 82.1 | Confident | 76.3 | Confident | 44 Ų | 44 | 33.3 Ų | 33.3 | 24% | 0.235 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 20.8 | 177.4 | 66.9 | -30.6 | 0 | 0 | 0 | 113.4 | R994 V1023 T1051 | R994-D1025 IonicContact CZ-OD2 2.85Å; R994-D1025 IonicContact NE-OD2 2.74Å; R994-D1025 PolarHBondContact NE-OD2 2.7Å; R994-D1025 IonicContact NH2-OD2 2.69Å; R994-D1025 PolarHBondContact NH2-OD2 3.43Å; V1023-D1025 VanDerWaalsContact C-N 3.34Å; V1023-D1025 PolarHBondContact O-N 3.06Å; D1025-T1051 WeakPolarHBondContact O-CG2 3.33Å |
| 1026 | G | 79.5 | Confident | 76.6 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -119.3 | -175.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | R994 P1021 V1023 E1024 | R994-G1026 CarbonylContact O-C 3.48Å; R994-G1026 WeakPolarHBondContact O-CA 3.21Å; P1021-G1026 WeakPolarHBondContact CB-O 3.32Å; V1023-G1026 PolarHBondContact O-N 3.29Å; E1024-G1026 VanDerWaalsContact C-N 3.3Å; E1024-G1026 PolarHBondContact O-N 3.07Å | ||
| 1027 | Y | 80.2 | Confident | 77.1 | Confident | 29 Ų | 29 | 44.1 Ų | 44.1 | 11% | 0.114 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 142.8 | 173.8 | -62.9 | -89.9 | 0 | 0 | 0 | 111.4 | R994 S996 I1042 S1043 T1051 D1052 F1056 | R994-Y1027 PolarHBondContact O-N 3.44Å; S996-Y1027 PolarHBondContact N-O 3.31Å; Y1027-I1042 HydrophobicContact CD1-CG2 4.11Å; Y1027-S1043 CarbonylContact C-O 3.53Å; Y1027-S1043 WeakPolarHBondContact CA-O 3.11Å; Y1027-T1051 HydrophobicContact CD2-CG2 4.23Å; Y1027-T1051 HydrophobicContact CE2-CG2 3.68Å; Y1027-T1051 VanDerWaalsContact OH-CA 3.28Å; Y1027-T1051 WeakPolarHBondContact OH-CA 3.5Å; Y1027-D1052 PolarHBondContact OH-N 3.14Å; Y1027-F1056 HydrophobicContact CD1-CB 4.24Å; Y1027-F1056 AromaticContact CD1-CD2 3.93Å; Y1027-F1056 HydrophobicContact CD1-CD2 3.93Å; Y1027-F1056 HydrophobicContact CD1-CG 4.2Å; Y1027-F1056 AromaticContact CD2-CD2 3.96Å; Y1027-F1056 HydrophobicContact CD2-CD2 3.96Å; Y1027-F1056 HydrophobicContact CD2-CE2 4.17Å; Y1027-F1056 HydrophobicContact CE1-CB 3.75Å; Y1027-F1056 AromaticContact CE1-CD2 3.85Å; Y1027-F1056 HydrophobicContact CE1-CD2 3.85Å; Y1027-F1056 HydrophobicContact CE1-CG 4.1Å; Y1027-F1056 AromaticContact CE2-CD2 3.88Å; Y1027-F1056 HydrophobicContact CE2-CD2 3.88Å; Y1027-F1056 HydrophobicContact CE2-CE2 4.41Å; Y1027-F1056 AromaticContact CG-CD2 3.97Å; Y1027-F1056 HydrophobicContact CG-CD2 3.97Å; Y1027-F1056 HydrophobicContact CG-CE2 4.27Å; Y1027-F1056 AromaticContact CZ-CD2 3.8Å |
| 1028 | G | 82.1 | Confident | 77.4 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 129.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | I1042 S1043 | G1028-I1042 CarbonylContact O-C 3.47Å; G1028-I1042 WeakPolarHBondContact O-CA 3.29Å; G1028-S1043 WeakPolarHBondContact CA-OG 3.29Å; G1028-S1043 PolarHBondContact N-O 3.36Å; G1028-S1043 PolarHBondContact N-OG 3.25Å; G1028-S1043 PolarHBondContact O-N 3.37Å; G1028-S1043 PolarHBondContact O-OG 3.33Å |
| 1029 | C | 83 | Confident | 77.4 | Confident | 6 Ų | 6 | 51.6 Ų | 51.6 | 4% | 0.041 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 94.5 | -179.5 | -170.1 | 0 | 0 | 0 | 0 | 111.2 | L995 S996 T997 S998 Y1019 F1041 | L995-C1029 HydrophobicContact CD1-CB 4.14Å; S996-C1029 PolarHBondContact O-N 3.33Å; T997-C1029 WeakPolarHBondContact CA-O 3.04Å; T997-C1029 WeakPolarHBondContact CB-O 3.41Å; T997-C1029 HydrophobicContact CG2-CB 4.12Å; S998-C1029 PolarHBondContact N-O 3.46Å; Y1019-C1029 PolarHBondContact OH-O 3.23Å; C1029-F1041 CarbonylContact C-O 3.59Å; C1029-F1041 VanDerWaalsContact CA-O 3.26Å; C1029-F1041 WeakPolarHBondContact CA-O 3.5Å |
| 1030 | A | 83.7 | Confident | 77.3 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 3% | 0.025 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 139.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | V1017 Y1019 F1040 F1041 | V1017-A1030 WeakPolarHBondContact O-CB 3.37Å; Y1019-A1030 HydrophobicContact CD1-CB 4.34Å; Y1019-A1030 HydrophobicContact CE1-CB 3.63Å; A1030-F1040 WeakPolarHBondContact O-CA 3.39Å; A1030-F1041 HydrophobicContact CB-CB 4.38Å; A1030-F1041 PolarHBondContact N-O 2.82Å; A1030-F1041 PolarHBondContact O-N 2.83Å |
| 1031 | Y | 79.7 | Confident | 77.5 | Confident | 54 Ų | 54 | 54.1 Ų | 54.1 | 21% | 0.212 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 154.8 | -177.8 | 58 | -90.3 | 0 | 0 | 0 | 114.2 | S998 Q999 V1000 F1033 L1039 F1040 | S998-Y1031 WeakPolarHBondContact O-CD1 3.23Å; S998-Y1031 PolarHBondContact O-N 3.4Å; Q999-Y1031 WeakPolarHBondContact CA-O 3.49Å; Q999-Y1031 HydrophobicContact CB-CD2 4.1Å; Q999-Y1031 HydrophobicContact CB-CE2 3.48Å; Q999-Y1031 VanDerWaalsContact CB-CE2 3.48Å; Q999-Y1031 HydrophobicContact CG-CD2 4.12Å; Q999-Y1031 HydrophobicContact CG-CE2 3.77Å; V1000-Y1031 PolarHBondContact N-O 3.46Å; Y1031-F1033 AromaticContact CD2-CE1 3.93Å; Y1031-F1033 HydrophobicContact CD2-CE1 3.93Å; Y1031-F1033 AromaticContact CD2-CE2 3.81Å; Y1031-F1033 HydrophobicContact CD2-CE2 3.81Å; Y1031-F1033 AromaticContact CD2-CZ 3.44Å; Y1031-F1033 HydrophobicContact CD2-CZ 3.44Å; Y1031-F1033 VanDerWaalsContact CD2-CZ 3.44Å; Y1031-F1033 AromaticContact CE2-CE2 3.7Å; Y1031-F1033 HydrophobicContact CE2-CE2 3.7Å; Y1031-F1033 AromaticContact CE2-CZ 3.62Å; Y1031-F1033 HydrophobicContact CE2-CZ 3.62Å; Y1031-L1039 CarbonylContact C-O 3.48Å; Y1031-L1039 WeakPolarHBondContact CA-O 3.48Å; Y1031-F1040 VanDerWaalsContact CB-CD1 3.42Å; Y1031-F1040 HydrophobicContact CD1-CE1 4.42Å; Y1031-F1040 HydrophobicContact CG-CD1 4.23Å; Y1031-F1040 AromaticContact CG-CE1 3.99Å; Y1031-F1040 HydrophobicContact CG-CE1 3.99Å |
| 1032 | K | 74.2 | Confident | 77.8 | Confident | 29 Ų | 29 | 55.4 Ų | 55.4 | 13% | 0.126 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 135.3 | 179.6 | 167.7 | -177.3 | 164 | -179.4 | 0 | 109.5 | V1000 C1013 L1039 | V1000-K1032 WeakPolarHBondContact O-CB 3.24Å; V1000-K1032 WeakPolarHBondContact O-CG 3.33Å; C1013-K1032 PolarHBondContact O-NZ 3.28Å; C1013-K1032 VanDerWaalsContact O-NZ 3.12Å; K1032-L1039 PolarHBondContact N-O 2.86Å; K1032-L1039 PolarHBondContact O-N 2.86Å |
| 1033 | F | 71.9 | Confident | 78.4 | Confident | 76 Ų | 76 | 54 Ų | 54 | 33% | 0.333 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 141.4 | 171.6 | -54.3 | -45.2 | 0 | 0 | 0 | 110.9 | Y1031 M1038 F1040 | Y1031-F1033 AromaticContact CD2-CE1 3.93Å; Y1031-F1033 HydrophobicContact CD2-CE1 3.93Å; Y1031-F1033 AromaticContact CD2-CE2 3.81Å; Y1031-F1033 HydrophobicContact CD2-CE2 3.81Å; Y1031-F1033 AromaticContact CD2-CZ 3.44Å; Y1031-F1033 HydrophobicContact CD2-CZ 3.44Å; Y1031-F1033 VanDerWaalsContact CD2-CZ 3.44Å; Y1031-F1033 AromaticContact CE2-CE2 3.7Å; Y1031-F1033 HydrophobicContact CE2-CE2 3.7Å; Y1031-F1033 AromaticContact CE2-CZ 3.62Å; Y1031-F1033 HydrophobicContact CE2-CZ 3.62Å; F1033-M1038 HydrophobicContact CD1-CB 4.04Å; F1033-M1038 HydrophobicContact CD1-CG 3.74Å; F1033-M1038 HydrophobicContact CD1-SD 4.12Å; F1033-M1038 HydrophobicContact CE1-CB 4.3Å; F1033-M1038 HydrophobicContact CE1-CG 4.1Å; F1033-M1038 HydrophobicContact CE1-SD 3.92Å; F1033-F1040 HydrophobicContact CE1-CZ 4.19Å |
| 1034 | S | 63.3 | Low | 78.9 | Confident | 61 Ų | 61 | 54 Ų | 54 | 43% | 0.427 | 28% | 0.282 | S | S | . | . | trans | -128.4 | 172.8 | 167 | 67.5 | 0 | 0 | 0 | 0 | 108.7 | E1036 N1037 | S1034-E1036 PolarHBondContact O-N 3.42Å; S1034-N1037 PolarHBondContact N-O 2.93Å; S1034-N1037 WeakPolarHBondContact OG-CA 3.47Å; S1034-N1037 PolarHBondContact OG-N 3.37Å; S1034-N1037 PolarHBondContact OG-O 3.11Å | ||
| 1035 | S | 64.7 | Low | 79.2 | Confident | 125 Ų | 125 | 49.8 Ų | 49.8 | 87% | 0.874 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -60.6 | -25.9 | 179.6 | 54.7 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1036 | E | 69.1 | Low | 79.4 | Confident | 151 Ų | 151 | 57.8 Ų | 57.8 | 71% | 0.706 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -118.5 | -23.6 | -175.8 | -63.5 | -169 | 169.4 | 0 | 0 | 114.4 | S1034 | S1034-E1036 PolarHBondContact O-N 3.42Š|
| 1037 | N | 74.6 | Confident | 79.8 | Confident | 111 Ų | 111 | 61.6 Ų | 61.6 | 59% | 0.594 | 32% | 0.321 | S | S | * | . | trans | -137.7 | 148 | -171.8 | -58.7 | -64.1 | 0 | 0 | 0 | 112.5 | S1034 | S1034-N1037 PolarHBondContact N-O 2.93Å; S1034-N1037 WeakPolarHBondContact OG-CA 3.47Å; S1034-N1037 PolarHBondContact OG-N 3.37Å; S1034-N1037 PolarHBondContact OG-O 3.11Å | ||
| 1038 | M | 79.7 | Confident | 80 | Confident | 113 Ų | 113 | 61.2 Ų | 61.2 | 56% | 0.557 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 128 | 167.8 | -53.9 | -174.2 | 179 | 0 | 0 | 109 | F1033 F1040 L1064 | F1033-M1038 HydrophobicContact CD1-CB 4.04Å; F1033-M1038 HydrophobicContact CD1-CG 3.74Å; F1033-M1038 HydrophobicContact CD1-SD 4.12Å; F1033-M1038 HydrophobicContact CE1-CB 4.3Å; F1033-M1038 HydrophobicContact CE1-CG 4.1Å; F1033-M1038 HydrophobicContact CE1-SD 3.92Å; M1038-F1040 HydrophobicContact CB-CD2 4.37Å; M1038-F1040 HydrophobicContact CB-CE2 3.61Å; M1038-F1040 HydrophobicContact CB-CZ 4.28Å; M1038-F1040 HydrophobicContact SD-CE2 4.45Å; M1038-L1064 HydrophobicContact SD-CD1 4.32Å; M1038-L1064 HydrophobicContact SD-CD2 4.34Å |
| 1039 | L | 79.6 | Confident | 80.3 | Confident | 60 Ų | 60 | 71.1 Ų | 71.1 | 31% | 0.314 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 128.5 | 179.9 | -163.3 | 76.3 | 0 | 0 | 0 | 109.6 | L812 V1016 Y1031 K1032 | L812-L1039 HydrophobicContact CD2-CD2 4.34Å; V1016-L1039 HydrophobicContact CG2-CD2 3.46Å; V1016-L1039 VanDerWaalsContact CG2-CD2 3.46Å; Y1031-L1039 CarbonylContact C-O 3.48Å; Y1031-L1039 WeakPolarHBondContact CA-O 3.48Å; K1032-L1039 PolarHBondContact N-O 2.86Å; K1032-L1039 PolarHBondContact O-N 2.86Å |
| 1040 | F | 82.3 | Confident | 80.2 | Confident | 60 Ų | 60 | 77.3 Ų | 77.3 | 26% | 0.263 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 131.9 | -179.5 | -65 | -91 | 0 | 0 | 0 | 110.2 | A1030 Y1031 F1033 M1038 I1042 L1060 L1064 | A1030-F1040 WeakPolarHBondContact O-CA 3.39Å; Y1031-F1040 VanDerWaalsContact CB-CD1 3.42Å; Y1031-F1040 HydrophobicContact CD1-CE1 4.42Å; Y1031-F1040 HydrophobicContact CG-CD1 4.23Å; Y1031-F1040 AromaticContact CG-CE1 3.99Å; Y1031-F1040 HydrophobicContact CG-CE1 3.99Å; F1033-F1040 HydrophobicContact CE1-CZ 4.19Å; M1038-F1040 HydrophobicContact CB-CD2 4.37Å; M1038-F1040 HydrophobicContact CB-CE2 3.61Å; M1038-F1040 HydrophobicContact CB-CZ 4.28Å; M1038-F1040 HydrophobicContact SD-CE2 4.45Å; F1040-I1042 HydrophobicContact CB-CD1 4.4Å; F1040-I1042 HydrophobicContact CB-CG1 4.4Å; F1040-L1060 HydrophobicContact CB-CD2 4.33Å; F1040-L1060 HydrophobicContact CD1-CD2 3.64Å; F1040-L1060 HydrophobicContact CD2-CD2 4.04Å; F1040-L1060 HydrophobicContact CE1-CD2 3.88Å; F1040-L1060 HydrophobicContact CE2-CD2 4.23Å; F1040-L1060 HydrophobicContact CG-CD2 3.74Å; F1040-L1060 HydrophobicContact CZ-CD2 4.17Å; F1040-L1064 HydrophobicContact CE2-CD1 3.8Å; F1040-L1064 HydrophobicContact CZ-CD1 4.08Å |
| 1041 | F | 85.7 | Confident | 80.1 | Confident | 25 Ų | 25 | 77.8 Ų | 77.8 | 11% | 0.11 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 113.3 | 166.3 | -179.1 | -96 | 0 | 0 | 0 | 109 | L816 I820 V1016 G1018 C1029 A1030 | L816-F1041 HydrophobicContact CB-CE2 4.39Å; L816-F1041 HydrophobicContact CD2-CB 4.43Å; L816-F1041 HydrophobicContact CD2-CD1 4.24Å; L816-F1041 HydrophobicContact CD2-CD2 3.24Å; L816-F1041 HydrophobicContact CD2-CE1 4.31Å; L816-F1041 HydrophobicContact CD2-CE2 3.34Å; L816-F1041 HydrophobicContact CD2-CG 3.71Å; L816-F1041 HydrophobicContact CD2-CZ 3.89Å; L816-F1041 HydrophobicContact CG-CD2 4.3Å; L816-F1041 HydrophobicContact CG-CE2 3.91Å; L816-F1041 HydrophobicContact CG-CZ 4.18Å; I820-F1041 HydrophobicContact CD1-CE1 4.36Å; I820-F1041 HydrophobicContact CD1-CZ 4.19Å; V1016-F1041 HydrophobicContact CG1-CB 3.7Å; V1016-F1041 HydrophobicContact CG1-CD2 4.35Å; V1016-F1041 HydrophobicContact CG1-CG 4.29Å; G1018-F1041 VanDerWaalsContact CA-CD1 3.41Å; C1029-F1041 CarbonylContact C-O 3.59Å; C1029-F1041 VanDerWaalsContact CA-O 3.26Å; C1029-F1041 WeakPolarHBondContact CA-O 3.5Å; A1030-F1041 HydrophobicContact CB-CB 4.38Å; A1030-F1041 PolarHBondContact N-O 2.82Å; A1030-F1041 PolarHBondContact O-N 2.83Å |
| 1042 | I | 85.5 | Confident | 80.6 | Confident | 28 Ų | 28 | 78.8 Ų | 78.8 | 14% | 0.144 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 128.2 | -176.8 | -58.9 | 153.9 | 0 | 0 | 0 | 108.8 | Y1027 G1028 F1040 F1056 R1057 L1060 | Y1027-I1042 HydrophobicContact CD1-CG2 4.11Å; G1028-I1042 CarbonylContact O-C 3.47Å; G1028-I1042 WeakPolarHBondContact O-CA 3.29Å; F1040-I1042 HydrophobicContact CB-CD1 4.4Å; F1040-I1042 HydrophobicContact CB-CG1 4.4Å; I1042-F1056 HydrophobicContact CD1-CD1 3.75Å; I1042-F1056 HydrophobicContact CD1-CE1 4.39Å; I1042-F1056 HydrophobicContact CG1-CD1 4.08Å; I1042-F1056 HydrophobicContact CG1-CE1 4.47Å; I1042-F1056 HydrophobicContact CG2-CB 4.13Å; I1042-F1056 HydrophobicContact CG2-CD1 3.93Å; I1042-F1056 HydrophobicContact CG2-CG 4.13Å; I1042-R1057 HydrophobicContact CD1-CB 3.77Å; I1042-R1057 HydrophobicContact CD1-CG 4.44Å; I1042-L1060 HydrophobicContact CD1-CD2 4.31Å |
| 1043 | S | 88.6 | Confident | 81.1 | Confident | 17 Ų | 17 | 78.9 Ų | 78.9 | 12% | 0.119 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 146.5 | 177.2 | 66.2 | 0 | 0 | 0 | 0 | 111 | Y1019 G1020 P1021 Y1027 G1028 S1053 | Y1019-S1043 WeakPolarHBondContact O-CB 3.4Å; Y1019-S1043 PolarHBondContact O-OG 3.47Å; G1020-S1043 WeakPolarHBondContact CA-OG 3.42Å; P1021-S1043 WeakPolarHBondContact CD-OG 3.47Å; Y1027-S1043 CarbonylContact C-O 3.53Å; Y1027-S1043 WeakPolarHBondContact CA-O 3.11Å; G1028-S1043 WeakPolarHBondContact CA-OG 3.29Å; G1028-S1043 PolarHBondContact N-O 3.36Å; G1028-S1043 PolarHBondContact N-OG 3.25Å; G1028-S1043 PolarHBondContact O-N 3.37Å; G1028-S1043 PolarHBondContact O-OG 3.33Å; S1043-S1053 VanDerWaalsContact C-OG 3.27Å |
| 1044 | S | 87.5 | Confident | 81.8 | Confident | 26 Ų | 26 | 78.5 Ų | 78.5 | 18% | 0.182 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 159.8 | 174.4 | 70.6 | 0 | 0 | 0 | 0 | 110 | S1053 | S1044-S1053 WeakPolarHBondContact CB-OG 3.28Å; S1044-S1053 PolarHBondContact N-OG 3.02Å; S1044-S1053 PolarHBondContact OG-N 3.33Å; S1044-S1053 PolarHBondContact OG-OG 2.89Å |
| 1045 | M | 85.5 | Confident | 82.9 | Confident | 27 Ų | 27 | 82.3 Ų | 82.3 | 13% | 0.133 | 42% | 0.421 | C | S | . | . | trans | -86.6 | 124.3 | 177.7 | -64.1 | -60.2 | -175.5 | 0 | 0 | 110.9 | V620 Y621 P1021 E1024 S1047 C1048 | V620-M1045 HydrophobicContact CG1-CE 3.66Å; Y621-M1045 HydrophobicContact CD1-CE 4.06Å; Y621-M1045 HydrophobicContact CE1-CE 3.38Å; Y621-M1045 HydrophobicContact CE2-CE 4.48Å; P1021-M1045 HydrophobicContact CG-CE 3.76Å; P1021-M1045 HydrophobicContact CG-CG 3.71Å; P1021-M1045 HydrophobicContact CG-SD 4.16Å; E1024-M1045 HydrophobicContact CG-CB 4.44Å; E1024-M1045 HydrophobicContact CG-CG 4.45Å; M1045-S1047 PolarHBondContact O-N 3.27Å; M1045-S1047 VanDerWaalsContact O-N 3.14Å; M1045-C1048 PolarHBondContact O-N 2.95Å | ||
| 1046 | K | 87.3 | Confident | 83.7 | Confident | 213 Ų | 213 | 78.7 Ų | 78.7 | 93% | 0.926 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -19.1 | 174.8 | -68.5 | -173.7 | 179 | 179 | 0 | 113.6 | C1048 | K1046-C1048 VanDerWaalsContact C-N 3.27Š|
| 1047 | S | 88.2 | Confident | 84.5 | Confident | 79 Ų | 79 | 77.4 Ų | 77.4 | 55% | 0.552 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -28.5 | 174.9 | 53.4 | 0 | 0 | 0 | 0 | 112.1 | E1024 M1045 | E1024-S1047 WeakPolarHBondContact OE1-CB 3.17Å; E1024-S1047 PolarHBondContact OE1-OG 3.43Å; M1045-S1047 PolarHBondContact O-N 3.27Å; M1045-S1047 VanDerWaalsContact O-N 3.14Å |
| 1048 | C | 84.6 | Confident | 85.1 | Confident | 21 Ų | 21 | 76.2 Ų | 76.2 | 14% | 0.142 | 37% | 0.372 | C | S | . | . | trans | -89.1 | 118.2 | 178.3 | -176.3 | 0 | 0 | 0 | 0 | 110.7 | E1024 M1045 K1046 E1050 T1051 | E1024-C1048 WeakPolarHBondContact O-CB 3.45Å; M1045-C1048 PolarHBondContact O-N 2.95Å; K1046-C1048 VanDerWaalsContact C-N 3.27Å; C1048-E1050 PolarHBondContact O-N 3.24Å; C1048-E1050 PolarHBondContact SG-N 3.29Å; C1048-T1051 WeakPolarHBondContact CB-OG1 3.32Å | ||
| 1049 | K | 87.4 | Confident | 85 | Confident | 208 Ų | 208 | 75.5 Ų | 75.5 | 90% | 0.904 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -17.9 | 178.2 | -64.7 | -176.1 | -178.7 | 178.4 | 0 | 113.4 | ||
| 1050 | E | 80.4 | Confident | 85 | Confident | 136 Ų | 136 | 74.5 Ų | 74.5 | 64% | 0.636 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -22.9 | -179.1 | -62.4 | -177.5 | -171.7 | 0 | 0 | 112.2 | C1048 R1055 | C1048-E1050 PolarHBondContact O-N 3.24Å; C1048-E1050 PolarHBondContact SG-N 3.29Å; E1050-R1055 PolarHBondContact O-NH2 3.47Å |
| 1051 | T | 82.9 | Confident | 85.1 | Confident | 13 Ų | 13 | 75.1 Ų | 75.1 | 8% | 0.08 | 37% | 0.372 | C | S | . | . | trans | -104.3 | 134.5 | -179 | 62.5 | 0 | 0 | 0 | 0 | 112.2 | D1025 Y1027 C1048 | D1025-T1051 WeakPolarHBondContact O-CG2 3.33Å; Y1027-T1051 HydrophobicContact CD2-CG2 4.23Å; Y1027-T1051 HydrophobicContact CE2-CG2 3.68Å; Y1027-T1051 VanDerWaalsContact OH-CA 3.28Å; Y1027-T1051 WeakPolarHBondContact OH-CA 3.5Å; C1048-T1051 WeakPolarHBondContact CB-OG1 3.32Å | ||
| 1052 | D | 89.2 | Confident | 84.9 | Confident | 75 Ų | 75 | 79 Ų | 79 | 40% | 0.401 | 39% | 0.389 | S | S | . | . | trans | -147.1 | 114.2 | 177 | -176.3 | -62.5 | 0 | 0 | 0 | 109.5 | Y1027 C1054 R1055 F1056 | Y1027-D1052 PolarHBondContact OH-N 3.14Å; D1052-C1054 VanDerWaalsContact C-N 3.31Å; D1052-C1054 PolarHBondContact O-N 3.07Å; D1052-C1054 WeakPolarHBondContact OD1-CA 3.3Å; D1052-C1054 WeakPolarHBondContact OD1-CB 3.36Å; D1052-C1054 PolarHBondContact OD1-N 3.21Å; D1052-R1055 HydrophobicContact CB-CB 3.87Å; D1052-R1055 PolarHBondContact O-N 3.04Å; D1052-R1055 PolarHBondContact OD1-N 2.87Å; D1052-F1056 WeakPolarHBondContact O-CB 3.46Å; D1052-F1056 PolarHBondContact O-N 3.46Å | ||
| 1053 | S | 86.1 | Confident | 84.4 | Confident | 31 Ų | 31 | 79.9 Ų | 79.9 | 22% | 0.217 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.3 | -33.8 | -176.3 | -63.2 | 0 | 0 | 0 | 0 | 112.9 | S1043 S1044 R1057 | S1043-S1053 VanDerWaalsContact C-OG 3.27Å; S1044-S1053 WeakPolarHBondContact CB-OG 3.28Å; S1044-S1053 PolarHBondContact N-OG 3.02Å; S1044-S1053 PolarHBondContact OG-N 3.33Å; S1044-S1053 PolarHBondContact OG-OG 2.89Å; S1053-R1057 WeakPolarHBondContact O-CB 3.37Å; S1053-R1057 PolarHBondContact O-N 3.39Å |
| 1054 | C | 86.8 | Confident | 83.9 | Confident | 68 Ų | 68 | 81.7 Ų | 81.7 | 46% | 0.459 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -71.5 | -44.3 | 177.9 | -70.6 | 0 | 0 | 0 | 0 | 110.9 | D1052 F1056 R1057 D1058 | D1052-C1054 VanDerWaalsContact C-N 3.31Å; D1052-C1054 PolarHBondContact O-N 3.07Å; D1052-C1054 WeakPolarHBondContact OD1-CA 3.3Å; D1052-C1054 WeakPolarHBondContact OD1-CB 3.36Å; D1052-C1054 PolarHBondContact OD1-N 3.21Å; C1054-F1056 VanDerWaalsContact C-N 3.31Å; C1054-F1056 PolarHBondContact O-N 3.42Å; C1054-R1057 WeakPolarHBondContact O-CB 3.43Å; C1054-R1057 PolarHBondContact O-N 3.29Å; C1054-D1058 PolarHBondContact O-N 3.09Å |
| 1055 | R | 85.5 | Confident | 83.5 | Confident | 141 Ų | 141 | 84.6 Ų | 84.6 | 53% | 0.532 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.2 | -40.3 | 175.4 | -170.7 | 176.4 | 65.8 | 179.9 | -0.2 | 111.4 | E1050 D1052 D1058 M1059 | E1050-R1055 PolarHBondContact O-NH2 3.47Å; D1052-R1055 HydrophobicContact CB-CB 3.87Å; D1052-R1055 PolarHBondContact O-N 3.04Å; D1052-R1055 PolarHBondContact OD1-N 2.87Å; R1055-D1058 PolarHBondContact O-N 3.22Å; R1055-M1059 WeakPolarHBondContact O-CB 3.38Å; R1055-M1059 PolarHBondContact O-N 2.93Å |
| 1056 | F | 80.7 | Confident | 82.9 | Confident | 50 Ų | 50 | 85.9 Ų | 85.9 | 22% | 0.219 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -62.6 | -46.5 | 175 | -169.1 | -74 | 0 | 0 | 0 | 111.1 | L995 Y1027 I1042 D1052 C1054 D1058 M1059 L1060 | L995-F1056 HydrophobicContact CD1-CE2 4.08Å; L995-F1056 HydrophobicContact CD1-CZ 3.86Å; L995-F1056 HydrophobicContact CD2-CZ 4.41Å; Y1027-F1056 HydrophobicContact CD1-CB 4.24Å; Y1027-F1056 AromaticContact CD1-CD2 3.93Å; Y1027-F1056 HydrophobicContact CD1-CD2 3.93Å; Y1027-F1056 HydrophobicContact CD1-CG 4.2Å; Y1027-F1056 AromaticContact CD2-CD2 3.96Å; Y1027-F1056 HydrophobicContact CD2-CD2 3.96Å; Y1027-F1056 HydrophobicContact CD2-CE2 4.17Å; Y1027-F1056 HydrophobicContact CE1-CB 3.75Å; Y1027-F1056 AromaticContact CE1-CD2 3.85Å; Y1027-F1056 HydrophobicContact CE1-CD2 3.85Å; Y1027-F1056 HydrophobicContact CE1-CG 4.1Å; Y1027-F1056 AromaticContact CE2-CD2 3.88Å; Y1027-F1056 HydrophobicContact CE2-CD2 3.88Å; Y1027-F1056 HydrophobicContact CE2-CE2 4.41Å; Y1027-F1056 AromaticContact CG-CD2 3.97Å; Y1027-F1056 HydrophobicContact CG-CD2 3.97Å; Y1027-F1056 HydrophobicContact CG-CE2 4.27Å; Y1027-F1056 AromaticContact CZ-CD2 3.8Å; I1042-F1056 HydrophobicContact CD1-CD1 3.75Å; I1042-F1056 HydrophobicContact CD1-CE1 4.39Å; I1042-F1056 HydrophobicContact CG1-CD1 4.08Å; I1042-F1056 HydrophobicContact CG1-CE1 4.47Å; I1042-F1056 HydrophobicContact CG2-CB 4.13Å; I1042-F1056 HydrophobicContact CG2-CD1 3.93Å; I1042-F1056 HydrophobicContact CG2-CG 4.13Å; D1052-F1056 WeakPolarHBondContact O-CB 3.46Å; D1052-F1056 PolarHBondContact O-N 3.46Å; C1054-F1056 VanDerWaalsContact C-N 3.31Å; C1054-F1056 PolarHBondContact O-N 3.42Å; F1056-D1058 PolarHBondContact O-N 3.04Å; F1056-M1059 PolarHBondContact O-N 3.48Å; F1056-L1060 HydrophobicContact CD1-CB 4.41Å; F1056-L1060 HydrophobicContact CE1-CB 4.38Å; F1056-L1060 HydrophobicContact CE1-CD2 4.3Å; F1056-L1060 VanDerWaalsContact O-CB 3.29Å; F1056-L1060 WeakPolarHBondContact O-CB 3.48Å; F1056-L1060 PolarHBondContact O-N 3.44Å |
| 1057 | R | 86.4 | Confident | 82.1 | Confident | 123 Ų | 123 | 79.2 Ų | 79.2 | 46% | 0.464 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -56 | -49.1 | 175.3 | 177.3 | -157.5 | 66.2 | -153.7 | -4.7 | 111.8 | I1042 S1053 C1054 M1059 L1060 T1061 | I1042-R1057 HydrophobicContact CD1-CB 3.77Å; I1042-R1057 HydrophobicContact CD1-CG 4.44Å; S1053-R1057 WeakPolarHBondContact O-CB 3.37Å; S1053-R1057 PolarHBondContact O-N 3.39Å; C1054-R1057 WeakPolarHBondContact O-CB 3.43Å; C1054-R1057 PolarHBondContact O-N 3.29Å; R1057-M1059 VanDerWaalsContact C-N 3.32Å; R1057-M1059 PolarHBondContact O-N 3.41Å; R1057-L1060 PolarHBondContact O-N 3.09Å; R1057-T1061 WeakPolarHBondContact O-CB 3.15Å; R1057-T1061 PolarHBondContact O-N 3.48Å; R1057-T1061 PolarHBondContact O-OG1 3.07Å |
| 1058 | D | 86.5 | Confident | 81.5 | Confident | 87 Ų | 87 | 82.8 Ų | 82.8 | 47% | 0.465 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.6 | -40.5 | -176.6 | -65.4 | -13.9 | 0 | 0 | 0 | 110.9 | C1054 R1055 F1056 K1062 | C1054-D1058 PolarHBondContact O-N 3.09Å; R1055-D1058 PolarHBondContact O-N 3.22Å; F1056-D1058 PolarHBondContact O-N 3.04Å; D1058-K1062 WeakPolarHBondContact O-CB 3.17Å; D1058-K1062 PolarHBondContact O-N 3.48Å; D1058-K1062 VanDerWaalsContact O-N 3.12Å |
| 1059 | M | 79.6 | Confident | 80.8 | Confident | 98 Ų | 98 | 86 Ų | 86 | 48% | 0.483 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -67.3 | -45.7 | 175.3 | -166.7 | 60 | 64.7 | 0 | 0 | 112 | R1055 F1056 R1057 T1061 K1062 T1063 | R1055-M1059 WeakPolarHBondContact O-CB 3.38Å; R1055-M1059 PolarHBondContact O-N 2.93Å; F1056-M1059 PolarHBondContact O-N 3.48Å; R1057-M1059 VanDerWaalsContact C-N 3.32Å; R1057-M1059 PolarHBondContact O-N 3.41Å; M1059-T1061 VanDerWaalsContact C-N 3.31Å; M1059-T1061 PolarHBondContact O-N 3.4Å; M1059-K1062 WeakPolarHBondContact O-CB 3.39Å; M1059-K1062 PolarHBondContact O-N 3.32Å; M1059-K1062 HydrophobicContact SD-CD 4.47Å; M1059-T1063 PolarHBondContact O-N 3.2Å; M1059-T1063 PolarHBondContact O-OG1 3.3Å |
| 1060 | L | 79.2 | Confident | 79.8 | Confident | 39 Ų | 39 | 77.6 Ų | 77.6 | 20% | 0.204 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58.4 | -45 | 177.9 | 177.4 | 63.4 | 0 | 0 | 0 | 111.5 | F1040 I1042 F1056 R1057 K1062 T1063 L1064 | F1040-L1060 HydrophobicContact CB-CD2 4.33Å; F1040-L1060 HydrophobicContact CD1-CD2 3.64Å; F1040-L1060 HydrophobicContact CD2-CD2 4.04Å; F1040-L1060 HydrophobicContact CE1-CD2 3.88Å; F1040-L1060 HydrophobicContact CE2-CD2 4.23Å; F1040-L1060 HydrophobicContact CG-CD2 3.74Å; F1040-L1060 HydrophobicContact CZ-CD2 4.17Å; I1042-L1060 HydrophobicContact CD1-CD2 4.31Å; F1056-L1060 HydrophobicContact CD1-CB 4.41Å; F1056-L1060 HydrophobicContact CE1-CB 4.38Å; F1056-L1060 HydrophobicContact CE1-CD2 4.3Å; F1056-L1060 VanDerWaalsContact O-CB 3.29Å; F1056-L1060 WeakPolarHBondContact O-CB 3.48Å; F1056-L1060 PolarHBondContact O-N 3.44Å; R1057-L1060 PolarHBondContact O-N 3.09Å; L1060-K1062 VanDerWaalsContact C-N 3.34Å; L1060-K1062 PolarHBondContact O-N 2.91Å; L1060-T1063 PolarHBondContact O-N 3.48Å; L1060-L1064 HydrophobicContact CD1-CD1 4.33Å; L1060-L1064 HydrophobicContact CD1-CG 4.33Å; L1060-L1064 HydrophobicContact CG-CD1 4.18Å; L1060-L1064 WeakPolarHBondContact O-CG 3.38Å; L1060-L1064 PolarHBondContact O-N 3.23Å |
| 1061 | T | 83.9 | Confident | 79 | Confident | 72 Ų | 72 | 74.4 Ų | 74.4 | 44% | 0.442 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58.8 | -49 | 177.4 | -54.2 | 0 | 0 | 0 | 0 | 110.3 | R1057 M1059 T1063 L1064 D1065 | R1057-T1061 WeakPolarHBondContact O-CB 3.15Å; R1057-T1061 PolarHBondContact O-N 3.48Å; R1057-T1061 PolarHBondContact O-OG1 3.07Å; M1059-T1061 VanDerWaalsContact C-N 3.31Å; M1059-T1061 PolarHBondContact O-N 3.4Å; T1061-T1063 PolarHBondContact O-N 2.9Å; T1061-L1064 PolarHBondContact O-N 3.36Å; T1061-D1065 PolarHBondContact O-N 2.95Å |
| 1062 | K | 80.9 | Confident | 78.3 | Confident | 108 Ų | 108 | 78.7 Ų | 78.7 | 47% | 0.47 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60 | -43.9 | 176.7 | -173.8 | -169.6 | 170.7 | -159.3 | 0 | 112.1 | D1058 M1059 L1060 L1064 D1065 D1066 | D1058-K1062 WeakPolarHBondContact O-CB 3.17Å; D1058-K1062 PolarHBondContact O-N 3.48Å; D1058-K1062 VanDerWaalsContact O-N 3.12Å; M1059-K1062 WeakPolarHBondContact O-CB 3.39Å; M1059-K1062 PolarHBondContact O-N 3.32Å; M1059-K1062 HydrophobicContact SD-CD 4.47Å; L1060-K1062 VanDerWaalsContact C-N 3.34Å; L1060-K1062 PolarHBondContact O-N 2.91Å; K1062-L1064 VanDerWaalsContact C-N 3.35Å; K1062-L1064 PolarHBondContact O-N 3.5Å; K1062-D1065 PolarHBondContact O-N 3.41Å; K1062-D1066 WeakPolarHBondContact O-CB 3.46Å; K1062-D1066 PolarHBondContact O-N 3.12Å |
| 1063 | T | 75 | Confident | 76.9 | Confident | 46 Ų | 46 | 76.8 Ų | 76.8 | 28% | 0.282 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 178.6 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | M1059 L1060 T1061 D1066 M1067 | M1059-T1063 PolarHBondContact O-N 3.2Å; M1059-T1063 PolarHBondContact O-OG1 3.3Å; L1060-T1063 PolarHBondContact O-N 3.48Å; T1061-T1063 PolarHBondContact O-N 2.9Å; T1063-D1066 PolarHBondContact O-N 3.19Å; T1063-M1067 HydrophobicContact CG2-CG 4.48Å; T1063-M1067 HydrophobicContact CG2-SD 4.27Å; T1063-M1067 WeakPolarHBondContact O-CB 3.45Å; T1063-M1067 VanDerWaalsContact O-CG 3.27Å; T1063-M1067 WeakPolarHBondContact O-CG 3.18Å; T1063-M1067 PolarHBondContact O-N 2.82Å |
| 1064 | L | 79.2 | Confident | 75.6 | Confident | 55 Ų | 55 | 76.9 Ų | 76.9 | 29% | 0.288 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 176.1 | -70.5 | 170.9 | 0 | 0 | 0 | 111.8 | M1038 F1040 L1060 T1061 K1062 M1067 R1068 | M1038-L1064 HydrophobicContact SD-CD1 4.32Å; M1038-L1064 HydrophobicContact SD-CD2 4.34Å; F1040-L1064 HydrophobicContact CE2-CD1 3.8Å; F1040-L1064 HydrophobicContact CZ-CD1 4.08Å; L1060-L1064 HydrophobicContact CD1-CD1 4.33Å; L1060-L1064 HydrophobicContact CD1-CG 4.33Å; L1060-L1064 HydrophobicContact CG-CD1 4.18Å; L1060-L1064 WeakPolarHBondContact O-CG 3.38Å; L1060-L1064 PolarHBondContact O-N 3.23Å; T1061-L1064 PolarHBondContact O-N 3.36Å; K1062-L1064 VanDerWaalsContact C-N 3.35Å; K1062-L1064 PolarHBondContact O-N 3.5Å; L1064-M1067 PolarHBondContact O-N 3.29Å; L1064-R1068 WeakPolarHBondContact O-CB 3.32Å; L1064-R1068 PolarHBondContact O-N 2.7Å |
| 1065 | D | 78.8 | Confident | 74.2 | Confident | 86 Ų | 86 | 78.6 Ų | 78.6 | 46% | 0.46 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.8 | -41.3 | 175 | -74.8 | -27.2 | 0 | 0 | 0 | 112.1 | T1061 K1062 R1068 T1069 | T1061-D1065 PolarHBondContact O-N 2.95Å; K1062-D1065 PolarHBondContact O-N 3.41Å; D1065-R1068 PolarHBondContact O-N 3.01Å; D1065-T1069 WeakPolarHBondContact O-CB 3.41Å; D1065-T1069 PolarHBondContact O-N 3.29Å; D1065-T1069 PolarHBondContact O-OG1 2.69Å |
| 1066 | D | 73 | Confident | 72.9 | Confident | 54 Ų | 54 | 76.1 Ų | 76.1 | 29% | 0.289 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 176 | -77.7 | -19.1 | 0 | 0 | 0 | 110.9 | K1062 T1063 T1069 F1070 | K1062-D1066 WeakPolarHBondContact O-CB 3.46Å; K1062-D1066 PolarHBondContact O-N 3.12Å; T1063-D1066 PolarHBondContact O-N 3.19Å; D1066-T1069 PolarHBondContact O-N 3.34Å; D1066-F1070 WeakPolarHBondContact O-CB 3.46Å; D1066-F1070 PolarHBondContact O-N 3.37Å |
| 1067 | M | 69.8 | Low | 71.2 | Confident | 74 Ų | 74 | 79.7 Ų | 79.7 | 37% | 0.365 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.2 | -47.6 | 175.1 | -74.7 | 178.7 | 73.6 | 0 | 0 | 111.4 | W907 T1063 L1064 T1069 F1070 T1071 | W907-M1067 HydrophobicContact CH2-CE 4.47Å; W907-M1067 HydrophobicContact CH2-CG 3.61Å; W907-M1067 HydrophobicContact CH2-SD 3.92Å; W907-M1067 HydrophobicContact CZ2-CE 4.46Å; W907-M1067 HydrophobicContact CZ2-CG 3.84Å; W907-M1067 HydrophobicContact CZ2-SD 4.4Å; T1063-M1067 HydrophobicContact CG2-CG 4.48Å; T1063-M1067 HydrophobicContact CG2-SD 4.27Å; T1063-M1067 WeakPolarHBondContact O-CB 3.45Å; T1063-M1067 VanDerWaalsContact O-CG 3.27Å; T1063-M1067 WeakPolarHBondContact O-CG 3.18Å; T1063-M1067 PolarHBondContact O-N 2.82Å; L1064-M1067 PolarHBondContact O-N 3.29Å; M1067-T1069 VanDerWaalsContact C-N 3.34Å; M1067-T1069 PolarHBondContact O-N 2.84Å; M1067-F1070 WeakPolarHBondContact O-CB 3.49Å; M1067-F1070 PolarHBondContact O-N 3.42Å; M1067-T1071 PolarHBondContact O-N 3.34Å; M1067-T1071 PolarHBondContact O-OG1 2.98Å |
| 1068 | R | 74.9 | Confident | 70.5 | Confident | 154 Ų | 154 | 77.5 Ų | 77.5 | 58% | 0.581 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -57.1 | -49 | 177.2 | 177.2 | -176.9 | 172.4 | -177.4 | -1.6 | 111.3 | L1064 D1065 F1070 T1071 E1072 | L1064-R1068 WeakPolarHBondContact O-CB 3.32Å; L1064-R1068 PolarHBondContact O-N 2.7Å; D1065-R1068 PolarHBondContact O-N 3.01Å; R1068-F1070 VanDerWaalsContact C-N 3.28Å; R1068-F1070 PolarHBondContact O-N 2.74Å; R1068-T1071 PolarHBondContact O-N 3.12Å; R1068-E1072 HydrophobicContact CG-CG 4.39Å; R1068-E1072 IonicContact CZ-OE1 3.69Å; R1068-E1072 IonicContact NE-OE1 3.61Å; R1068-E1072 PolarHBondContact NE-OE1 3.08Å; R1068-E1072 IonicContact NH2-OE1 2.75Å; R1068-E1072 PolarHBondContact NH2-OE1 3.04Å; R1068-E1072 VanDerWaalsContact NH2-OE1 3.14Å; R1068-E1072 WeakPolarHBondContact O-CB 3.25Å; R1068-E1072 WeakPolarHBondContact O-CG 3.34Å; R1068-E1072 PolarHBondContact O-N 3.12Å |
| 1069 | T | 71.1 | Confident | 69.6 | Low | 88 Ų | 88 | 77 Ų | 77 | 54% | 0.54 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.8 | -41 | 179.7 | -55.5 | 0 | 0 | 0 | 0 | 111 | D1065 D1066 M1067 A1073 | D1065-T1069 WeakPolarHBondContact O-CB 3.41Å; D1065-T1069 PolarHBondContact O-N 3.29Å; D1065-T1069 PolarHBondContact O-OG1 2.69Å; D1066-T1069 PolarHBondContact O-N 3.34Å; M1067-T1069 VanDerWaalsContact C-N 3.34Å; M1067-T1069 PolarHBondContact O-N 2.84Å; T1069-A1073 WeakPolarHBondContact O-CB 3.38Å; T1069-A1073 PolarHBondContact O-N 2.95Å; T1069-A1073 VanDerWaalsContact O-N 3.09Å |
| 1070 | F | 65.9 | Low | 69.1 | Low | 31 Ų | 31 | 75.8 Ų | 75.8 | 14% | 0.136 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -62.5 | -50.2 | 176.3 | 178.8 | -96.9 | 0 | 0 | 0 | 111.9 | M911 A936 D940 D1066 M1067 R1068 E1072 A1073 V1074 | M911-F1070 HydrophobicContact CE-CB 4.47Å; A936-F1070 HydrophobicContact CB-CE2 3.59Å; A936-F1070 HydrophobicContact CB-CZ 3.34Å; D940-F1070 HydrophobicContact CB-CE1 4.46Å; D940-F1070 VanDerWaalsContact CG-CE1 3.48Å; D940-F1070 VanDerWaalsContact OD2-CD1 3.31Å; D940-F1070 WeakPolarHBondContact OD2-CD1 3.35Å; D940-F1070 WeakPolarHBondContact OD2-CE1 3.31Å; D1066-F1070 WeakPolarHBondContact O-CB 3.46Å; D1066-F1070 PolarHBondContact O-N 3.37Å; M1067-F1070 WeakPolarHBondContact O-CB 3.49Å; M1067-F1070 PolarHBondContact O-N 3.42Å; R1068-F1070 VanDerWaalsContact C-N 3.28Å; R1068-F1070 PolarHBondContact O-N 2.74Å; F1070-E1072 PolarHBondContact O-N 3.03Å; F1070-A1073 PolarHBondContact O-N 3.42Å; F1070-V1074 HydrophobicContact CD1-CG2 4.41Å; F1070-V1074 HydrophobicContact CE1-CG2 3.87Å; F1070-V1074 HydrophobicContact CE2-CG2 4.23Å; F1070-V1074 HydrophobicContact CZ-CG2 3.75Å; F1070-V1074 WeakPolarHBondContact O-CG2 3.31Å; F1070-V1074 PolarHBondContact O-N 3.28Å |
| 1071 | T | 63.7 | Low | 68.5 | Low | 69 Ų | 69 | 78 Ų | 78 | 42% | 0.423 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 179.4 | -50.4 | 0 | 0 | 0 | 0 | 112.1 | M1067 R1068 A1073 V1074 C1075 | M1067-T1071 PolarHBondContact O-N 3.34Å; M1067-T1071 PolarHBondContact O-OG1 2.98Å; R1068-T1071 PolarHBondContact O-N 3.12Å; T1071-A1073 VanDerWaalsContact C-N 3.29Å; T1071-A1073 PolarHBondContact O-N 2.74Å; T1071-V1074 PolarHBondContact O-N 2.78Å; T1071-C1075 PolarHBondContact O-N 3.49Å; T1071-C1075 PolarHBondContact O-SG 3.09Å |
| 1072 | E | 67.3 | Low | 67.5 | Low | 103 Ų | 103 | 78.4 Ų | 78.4 | 48% | 0.481 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.5 | -39.1 | 176.6 | -75 | 178.1 | 178.4 | 0 | 0 | 111.6 | R1068 F1070 A1076 | R1068-E1072 HydrophobicContact CG-CG 4.39Å; R1068-E1072 IonicContact CZ-OE1 3.69Å; R1068-E1072 IonicContact NE-OE1 3.61Å; R1068-E1072 PolarHBondContact NE-OE1 3.08Å; R1068-E1072 IonicContact NH2-OE1 2.75Å; R1068-E1072 PolarHBondContact NH2-OE1 3.04Å; R1068-E1072 VanDerWaalsContact NH2-OE1 3.14Å; R1068-E1072 WeakPolarHBondContact O-CB 3.25Å; R1068-E1072 WeakPolarHBondContact O-CG 3.34Å; R1068-E1072 PolarHBondContact O-N 3.12Å; F1070-E1072 PolarHBondContact O-N 3.03Å; E1072-A1076 WeakPolarHBondContact O-CB 3.42Å; E1072-A1076 PolarHBondContact O-N 2.92Å; E1072-A1076 VanDerWaalsContact O-N 3.14Å |
| 1073 | A | 61.1 | Low | 66.6 | Low | 35 Ų | 35 | 76.4 Ų | 76.4 | 29% | 0.289 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67 | -41 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y923 T1069 F1070 T1071 A1076 S1077 | Y923-A1073 HydrophobicContact CD1-CB 4.18Å; T1069-A1073 WeakPolarHBondContact O-CB 3.38Å; T1069-A1073 PolarHBondContact O-N 2.95Å; T1069-A1073 VanDerWaalsContact O-N 3.09Å; F1070-A1073 PolarHBondContact O-N 3.42Å; T1071-A1073 VanDerWaalsContact C-N 3.29Å; T1071-A1073 PolarHBondContact O-N 2.74Å; A1073-A1076 PolarHBondContact O-N 2.84Å; A1073-S1077 PolarHBondContact O-N 2.9Å |
| 1074 | V | 59 | Low | 66 | Low | 34 Ų | 34 | 78.6 Ų | 78.6 | 21% | 0.206 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -67.2 | -38.2 | 177 | 173.2 | 0 | 0 | 0 | 0 | 111.7 | F1070 T1071 A1076 S1077 | F1070-V1074 HydrophobicContact CD1-CG2 4.41Å; F1070-V1074 HydrophobicContact CE1-CG2 3.87Å; F1070-V1074 HydrophobicContact CE2-CG2 4.23Å; F1070-V1074 HydrophobicContact CZ-CG2 3.75Å; F1070-V1074 WeakPolarHBondContact O-CG2 3.31Å; F1070-V1074 PolarHBondContact O-N 3.28Å; T1071-V1074 PolarHBondContact O-N 2.78Å; V1074-A1076 VanDerWaalsContact C-N 3.3Å; V1074-A1076 PolarHBondContact O-N 3.24Å; V1074-S1077 PolarHBondContact O-OG 3Å |
| 1075 | C | 56.7 | Low | 65 | Low | 104 Ų | 104 | 80.4 Ų | 80.4 | 70% | 0.703 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -73 | -22.6 | 177 | -69.2 | 0 | 0 | 0 | 0 | 113.6 | T1071 | T1071-C1075 PolarHBondContact O-N 3.49Å; T1071-C1075 PolarHBondContact O-SG 3.09Å |
| 1076 | A | 57.7 | Low | 63.9 | Low | 89 Ų | 89 | 79.9 Ų | 79.9 | 74% | 0.736 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -85.3 | -21.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | E1072 A1073 V1074 | E1072-A1076 WeakPolarHBondContact O-CB 3.42Å; E1072-A1076 PolarHBondContact O-N 2.92Å; E1072-A1076 VanDerWaalsContact O-N 3.14Å; A1073-A1076 PolarHBondContact O-N 2.84Å; V1074-A1076 VanDerWaalsContact C-N 3.3Å; V1074-A1076 PolarHBondContact O-N 3.24Å |
| 1077 | S | 46.4 | Very low | 63.1 | Low | 124 Ų | 124 | 82.3 Ų | 82.3 | 87% | 0.867 | 48% | 0.484 | S | S | * | . | trans | -82 | 0 | 171.1 | 61.2 | 0 | 0 | 0 | 0 | 111.8 | A1073 V1074 | A1073-S1077 PolarHBondContact O-N 2.9Å; V1074-S1077 PolarHBondContact O-OG 3Å |
Retrieved 1,077 of 1,077 residues in 1442 ms
(Link to these results)