| 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 | 38.6 | Very low | 55.5 | Low | 242 Ų | 242 | 139.2 Ų | 139.2 | 100% | 1.192 | 73% | 0.726 | S | S | * | * | 0 | 143.5 | 0 | -69.9 | 163.7 | 176.7 | 0 | 0 | 107.4 | |||||
| 2 | E | 32.5 | Very low | 57.6 | Low | 182 Ų | 182 | 140.3 Ų | 140.3 | 85% | 0.85 | 71% | 0.713 | S | S | * | * | trans | 38.8 | 104.1 | 163.7 | -59.3 | -173.5 | 140.8 | 0 | 0 | 120.6 | ||||
| 3 | N | 37.1 | Very low | 59.2 | Low | 168 Ų | 168 | 135.8 Ų | 135.8 | 90% | 0.898 | 69% | 0.691 | S | S | * | * | trans | 7.8 | 117.8 | 144.8 | -56.8 | -17.4 | 0 | 0 | 0 | 119.4 | ||||
| 4 | V | 43.8 | Very low | 60.7 | Low | 148 Ų | 148 | 130.3 Ų | 130.3 | 90% | 0.897 | 68% | 0.676 | S | S | * | * | trans | -127.6 | 131.6 | 145.7 | -178.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 5 | S | 47.6 | Very low | 62.4 | Low | 113 Ų | 113 | 132.6 Ų | 132.6 | 79% | 0.79 | 67% | 0.672 | S | S | * | * | trans | -90.3 | 178 | -171.1 | 48.5 | 0 | 0 | 0 | 0 | 113.5 | E7 | S5-E7 PolarHBondContact O-N 2.97Å; S5-E7 VanDerWaalsContact O-N 3.14Å | ||
| 6 | Q | 53 | Low | 64 | Low | 200 Ų | 200 | 133.1 Ų | 133.1 | 94% | 0.935 | 66% | 0.664 | S | S | * | * | trans | -67 | 104.8 | -162.8 | -64.1 | 170.6 | -44.8 | 0 | 0 | 114.3 | S8 | Q6-S8 PolarHBondContact O-N 3.38Š| ||
| 7 | E | 63.7 | Low | 65 | Low | 56 Ų | 56 | 133.4 Ų | 133.4 | 26% | 0.262 | 66% | 0.661 | S | S | . | * | trans | -60.3 | 131 | 165.9 | -99.3 | -161.3 | 139.4 | 0 | 0 | 112 | S5 E11 R12 R15 | S5-E7 PolarHBondContact O-N 2.97Å; S5-E7 VanDerWaalsContact O-N 3.14Å; E7-E11 HydrophobicContact CB-CB 4.48Å; E7-E11 HydrophobicContact CG-CB 4.12Å; E7-R12 PolarHBondContact O-NH2 3.35Å; E7-R15 WeakPolarHBondContact OE1-CD 3.35Å; E7-R15 IonicContact OE1-CZ 3.49Å; E7-R15 IonicContact OE1-NE 2.94Å; E7-R15 IonicContact OE1-NH1 3.16Å; E7-R15 PolarHBondContact OE1-NH1 3.02Å | ||
| 8 | S | 74.8 | Confident | 66.1 | Low | 51 Ų | 51 | 129.3 Ų | 129.3 | 36% | 0.357 | 65% | 0.651 | S | S | . | * | trans | -64.8 | 160.6 | 175.2 | 70 | 0 | 0 | 0 | 0 | 112.3 | Q6 A10 E11 R12 | Q6-S8 PolarHBondContact O-N 3.38Å; S8-A10 PolarHBondContact O-N 2.81Å; S8-A10 PolarHBondContact OG-N 3.35Å; S8-E11 WeakPolarHBondContact CB-OE2 3.45Å; S8-E11 PolarHBondContact N-OE2 3.31Å; S8-E11 PolarHBondContact O-N 3.33Å; S8-E11 WeakPolarHBondContact OG-CG 3.37Å; S8-E11 PolarHBondContact OG-N 3.45Å; S8-E11 PolarHBondContact OG-OE2 2.93Å; S8-R12 PolarHBondContact O-N 3.01Å; S8-R12 VanDerWaalsContact O-N 3.13Å | ||
| 9 | R | 70.8 | Confident | 67.1 | Low | 206 Ų | 206 | 129.5 Ų | 129.5 | 78% | 0.777 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -61.3 | -27.8 | 171.4 | -175.7 | 175.1 | 179.1 | 170.7 | 2 | 111.8 | I13 | R9-I13 HydrophobicContact CG-CD1 4.08Å; R9-I13 WeakPolarHBondContact O-CD1 3.49Å; R9-I13 VanDerWaalsContact O-CG1 3.26Å; R9-I13 WeakPolarHBondContact O-CG1 3.21Å; R9-I13 PolarHBondContact O-N 3.3Å |
| 10 | A | 71.1 | Confident | 67.8 | Low | 70 Ų | 70 | 128.8 Ų | 128.8 | 58% | 0.579 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -71.1 | -46 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S8 I13 A14 | S8-A10 PolarHBondContact O-N 2.81Å; S8-A10 PolarHBondContact OG-N 3.35Å; A10-I13 PolarHBondContact O-N 3.14Å; A10-A14 WeakPolarHBondContact O-CB 3.4Å; A10-A14 PolarHBondContact O-N 3.06Å |
| 11 | E | 78.2 | Confident | 68.2 | Low | 95 Ų | 95 | 132 Ų | 132 | 44% | 0.444 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -61.2 | -45.5 | 176.2 | -76 | 157.6 | 116.4 | 0 | 0 | 112.1 | E7 S8 I13 A14 R15 | E7-E11 HydrophobicContact CB-CB 4.48Å; E7-E11 HydrophobicContact CG-CB 4.12Å; S8-E11 WeakPolarHBondContact CB-OE2 3.45Å; S8-E11 PolarHBondContact N-OE2 3.31Å; S8-E11 PolarHBondContact O-N 3.33Å; S8-E11 WeakPolarHBondContact OG-CG 3.37Å; S8-E11 PolarHBondContact OG-N 3.45Å; S8-E11 PolarHBondContact OG-OE2 2.93Å; E11-I13 VanDerWaalsContact C-N 3.28Å; E11-I13 PolarHBondContact O-N 3Å; E11-A14 CarbonylContact O-C 3.56Å; E11-A14 WeakPolarHBondContact O-CA 3.44Å; E11-A14 WeakPolarHBondContact O-CB 3.37Å; E11-A14 PolarHBondContact O-N 3.13Å; E11-R15 PolarHBondContact O-N 3.24Å |
| 12 | R | 79.8 | Confident | 70.2 | Confident | 152 Ų | 152 | 128.8 Ų | 128.8 | 57% | 0.574 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -59.4 | -36.9 | 175.2 | -95.7 | 174.8 | -75.9 | 165.4 | -7.6 | 113.4 | E7 S8 Y16 | E7-R12 PolarHBondContact O-NH2 3.35Å; S8-R12 PolarHBondContact O-N 3.01Å; S8-R12 VanDerWaalsContact O-N 3.13Å; R12-Y16 VanDerWaalsContact O-CB 3.26Å; R12-Y16 WeakPolarHBondContact O-CB 3.42Å; R12-Y16 PolarHBondContact O-N 2.82Å |
| 13 | I | 78.1 | Confident | 72.4 | Confident | 83 Ų | 83 | 122.6 Ų | 122.6 | 43% | 0.426 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -71.9 | -34.9 | 174.3 | -68.3 | 167.9 | 0 | 0 | 0 | 111.2 | R9 A10 E11 K17 | R9-I13 HydrophobicContact CG-CD1 4.08Å; R9-I13 WeakPolarHBondContact O-CD1 3.49Å; R9-I13 VanDerWaalsContact O-CG1 3.26Å; R9-I13 WeakPolarHBondContact O-CG1 3.21Å; R9-I13 PolarHBondContact O-N 3.3Å; A10-I13 PolarHBondContact O-N 3.14Å; E11-I13 VanDerWaalsContact C-N 3.28Å; E11-I13 PolarHBondContact O-N 3Å; I13-K17 HydrophobicContact CG2-CD 4.41Å; I13-K17 WeakPolarHBondContact O-CB 3.32Å; I13-K17 WeakPolarHBondContact O-CG 3.24Å; I13-K17 PolarHBondContact O-N 3.16Å |
| 14 | A | 80.2 | Confident | 73.8 | Confident | 58 Ų | 58 | 118.8 Ų | 118.8 | 48% | 0.479 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -69.7 | -46.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | A10 E11 K17 A18 | A10-A14 WeakPolarHBondContact O-CB 3.4Å; A10-A14 PolarHBondContact O-N 3.06Å; E11-A14 CarbonylContact O-C 3.56Å; E11-A14 WeakPolarHBondContact O-CA 3.44Å; E11-A14 WeakPolarHBondContact O-CB 3.37Å; E11-A14 PolarHBondContact O-N 3.13Å; A14-K17 PolarHBondContact O-N 3.05Å; A14-A18 WeakPolarHBondContact O-CB 3.47Å; A14-A18 PolarHBondContact O-N 3.47Å |
| 15 | R | 86.1 | Confident | 75.1 | Confident | 165 Ų | 165 | 114.4 Ų | 114.4 | 62% | 0.623 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -55.2 | -54.7 | 170.6 | -95.6 | -171.4 | 155.3 | 109.4 | -3.6 | 110.5 | E7 E11 K17 A18 E19 | E7-R15 WeakPolarHBondContact OE1-CD 3.35Å; E7-R15 IonicContact OE1-CZ 3.49Å; E7-R15 IonicContact OE1-NE 2.94Å; E7-R15 IonicContact OE1-NH1 3.16Å; E7-R15 PolarHBondContact OE1-NH1 3.02Å; E11-R15 PolarHBondContact O-N 3.24Å; R15-K17 VanDerWaalsContact C-N 3.31Å; R15-K17 PolarHBondContact O-N 3.35Å; R15-A18 PolarHBondContact O-N 3.47Å; R15-A18 VanDerWaalsContact O-N 3.07Å; R15-E19 VanDerWaalsContact O-CB 3.23Å; R15-E19 WeakPolarHBondContact O-CB 3.1Å; R15-E19 PolarHBondContact O-N 3.24Å |
| 16 | Y | 88.1 | Confident | 76.3 | Confident | 140 Ų | 140 | 115.4 Ų | 115.4 | 55% | 0.549 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -56.7 | -41.3 | 178.4 | -177.2 | -100.2 | 0 | 0 | 0 | 112.7 | R12 R20 | R12-Y16 VanDerWaalsContact O-CB 3.26Å; R12-Y16 WeakPolarHBondContact O-CB 3.42Å; R12-Y16 PolarHBondContact O-N 2.82Å; Y16-R20 WeakPolarHBondContact O-CB 3.49Å; Y16-R20 PolarHBondContact O-N 2.71Å |
| 17 | K | 82.5 | Confident | 76.9 | Confident | 138 Ų | 138 | 114 Ų | 114 | 60% | 0.6 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68.9 | -36.1 | 175.8 | -79 | -174.5 | 173.9 | -167.7 | 0 | 113.7 | I13 A14 R15 R21 | I13-K17 HydrophobicContact CG2-CD 4.41Å; I13-K17 WeakPolarHBondContact O-CB 3.32Å; I13-K17 WeakPolarHBondContact O-CG 3.24Å; I13-K17 PolarHBondContact O-N 3.16Å; A14-K17 PolarHBondContact O-N 3.05Å; R15-K17 VanDerWaalsContact C-N 3.31Å; R15-K17 PolarHBondContact O-N 3.35Å; K17-R21 WeakPolarHBondContact O-CB 3.37Å; K17-R21 VanDerWaalsContact O-CG 3.29Å; K17-R21 WeakPolarHBondContact O-CG 3.49Å; K17-R21 PolarHBondContact O-N 2.98Å; K17-R21 VanDerWaalsContact O-N 3.1Å |
| 18 | A | 84.3 | Confident | 76.6 | Confident | 60 Ų | 60 | 120.3 Ų | 120.3 | 50% | 0.496 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -71.3 | -42.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | A14 R15 R21 R22 | A14-A18 WeakPolarHBondContact O-CB 3.47Å; A14-A18 PolarHBondContact O-N 3.47Å; R15-A18 PolarHBondContact O-N 3.47Å; R15-A18 VanDerWaalsContact O-N 3.07Å; A18-R21 PolarHBondContact O-N 2.94Å; A18-R22 PolarHBondContact O-N 3.32Å |
| 19 | E | 85 | Confident | 75.2 | Confident | 133 Ų | 133 | 120.5 Ų | 120.5 | 62% | 0.621 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.3 | -45.3 | 176.7 | -168.5 | 161.5 | -122.8 | 0 | 0 | 111.1 | R15 R21 R22 E23 | R15-E19 VanDerWaalsContact O-CB 3.23Å; R15-E19 WeakPolarHBondContact O-CB 3.1Å; R15-E19 PolarHBondContact O-N 3.24Å; E19-R21 VanDerWaalsContact C-N 3.31Å; E19-R21 PolarHBondContact O-N 2.85Å; E19-R22 PolarHBondContact O-N 3.33Å; E19-E23 WeakPolarHBondContact O-CB 3.34Å; E19-E23 PolarHBondContact O-N 2.85Å |
| 20 | R | 80.9 | Confident | 73.4 | Confident | 116 Ų | 116 | 115.7 Ų | 115.7 | 44% | 0.438 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.5 | -29.4 | 174.6 | -153.9 | 65.3 | 161.7 | 167.6 | -0.1 | 113 | Y16 E23 L24 | Y16-R20 WeakPolarHBondContact O-CB 3.49Å; Y16-R20 PolarHBondContact O-N 2.71Å; R20-E23 VanDerWaalsContact CD-OE2 3.29Å; R20-E23 WeakPolarHBondContact CD-OE2 3.42Å; R20-E23 IonicContact CZ-OE2 3.44Å; R20-E23 IonicContact NE-OE2 3.44Å; R20-E23 VanDerWaalsContact NH1-CD 3.28Å; R20-E23 IonicContact NH1-OE1 3.24Å; R20-E23 PolarHBondContact NH1-OE1 2.83Å; R20-E23 IonicContact NH1-OE2 3.59Å; R20-E23 PolarHBondContact NH1-OE2 3.42Å; R20-L24 WeakPolarHBondContact O-CB 3.43Å; R20-L24 VanDerWaalsContact O-CG 3.22Å; R20-L24 WeakPolarHBondContact O-CG 3.33Å; R20-L24 PolarHBondContact O-N 3.06Å |
| 21 | R | 76.2 | Confident | 71.8 | Confident | 197 Ų | 197 | 121.7 Ų | 121.7 | 74% | 0.743 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -70.1 | -41.9 | 170.3 | -82.7 | 174.9 | 171.7 | -179.1 | -5.4 | 112.1 | K17 A18 E19 L24 A25 | K17-R21 WeakPolarHBondContact O-CB 3.37Å; K17-R21 VanDerWaalsContact O-CG 3.29Å; K17-R21 WeakPolarHBondContact O-CG 3.49Å; K17-R21 PolarHBondContact O-N 2.98Å; K17-R21 VanDerWaalsContact O-N 3.1Å; A18-R21 PolarHBondContact O-N 2.94Å; E19-R21 VanDerWaalsContact C-N 3.31Å; E19-R21 PolarHBondContact O-N 2.85Å; R21-L24 PolarHBondContact O-N 3.09Å; R21-A25 WeakPolarHBondContact O-CB 3.21Å; R21-A25 PolarHBondContact O-N 2.97Å |
| 22 | R | 80.4 | Confident | 69.7 | Low | 174 Ų | 174 | 126.4 Ų | 126.4 | 66% | 0.657 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.1 | -46.3 | 173.5 | 174.4 | 177.1 | -77.9 | -178.6 | -6.4 | 110.9 | A18 E19 L24 A25 E26 | A18-R22 PolarHBondContact O-N 3.32Å; E19-R22 PolarHBondContact O-N 3.33Å; R22-L24 VanDerWaalsContact C-N 3.31Å; R22-L24 PolarHBondContact O-N 3.17Å; R22-A25 CarbonylContact O-C 3.59Å; R22-A25 WeakPolarHBondContact O-CB 3.46Å; R22-A25 PolarHBondContact O-N 2.86Å; R22-A25 VanDerWaalsContact O-N 3.1Å; R22-E26 VanDerWaalsContact CD-OE1 3.24Å; R22-E26 WeakPolarHBondContact CD-OE1 3.44Å; R22-E26 VanDerWaalsContact CG-CD 3.48Å; R22-E26 HydrophobicContact CG-CG 4.23Å; R22-E26 WeakPolarHBondContact CG-OE1 3.46Å; R22-E26 WeakPolarHBondContact O-CB 3.35Å; R22-E26 WeakPolarHBondContact O-CG 3.43Å; R22-E26 PolarHBondContact O-N 3.11Å |
| 23 | E | 78.6 | Confident | 67.5 | Low | 51 Ų | 51 | 128.5 Ų | 128.5 | 24% | 0.238 | 61% | 0.612 | C | S | . | * | H | α-helix | trans | -63 | -35.2 | 177.9 | -166.7 | -167.1 | 164.6 | 0 | 0 | 112.3 | E19 R20 R27 | E19-E23 WeakPolarHBondContact O-CB 3.34Å; E19-E23 PolarHBondContact O-N 2.85Å; R20-E23 VanDerWaalsContact CD-OE2 3.29Å; R20-E23 WeakPolarHBondContact CD-OE2 3.42Å; R20-E23 IonicContact CZ-OE2 3.44Å; R20-E23 IonicContact NE-OE2 3.44Å; R20-E23 VanDerWaalsContact NH1-CD 3.28Å; R20-E23 IonicContact NH1-OE1 3.24Å; R20-E23 PolarHBondContact NH1-OE1 2.83Å; R20-E23 IonicContact NH1-OE2 3.59Å; R20-E23 PolarHBondContact NH1-OE2 3.42Å; E23-R27 VanDerWaalsContact O-CB 3.28Å; E23-R27 WeakPolarHBondContact O-CB 3.29Å; E23-R27 WeakPolarHBondContact O-CG 3.38Å; E23-R27 PolarHBondContact O-N 2.84Å; E23-R27 IonicContact OE1-CZ 2.69Å; E23-R27 VanDerWaalsContact OE1-CZ 3.27Å; E23-R27 IonicContact OE1-NE 3.36Å; E23-R27 PolarHBondContact OE1-NE 3.31Å; E23-R27 IonicContact OE1-NH2 2.74Å; E23-R27 PolarHBondContact OE1-NH2 3.33Å |
| 24 | L | 66.2 | Low | 65.4 | Low | 88 Ų | 88 | 132.9 Ų | 132.9 | 46% | 0.461 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -69.6 | -40 | 171.6 | -74.5 | 170.3 | 0 | 0 | 0 | 111.9 | R20 R21 R22 E26 R27 Y28 | R20-L24 WeakPolarHBondContact O-CB 3.43Å; R20-L24 VanDerWaalsContact O-CG 3.22Å; R20-L24 WeakPolarHBondContact O-CG 3.33Å; R20-L24 PolarHBondContact O-N 3.06Å; R21-L24 PolarHBondContact O-N 3.09Å; R22-L24 VanDerWaalsContact C-N 3.31Å; R22-L24 PolarHBondContact O-N 3.17Å; L24-E26 VanDerWaalsContact C-N 3.34Å; L24-R27 PolarHBondContact O-N 2.88Å; L24-Y28 HydrophobicContact CD2-CD2 3.92Å; L24-Y28 HydrophobicContact CD2-CE2 3.7Å; L24-Y28 WeakPolarHBondContact O-CB 3.36Å; L24-Y28 WeakPolarHBondContact O-CD2 3.49Å; L24-Y28 PolarHBondContact O-N 2.95Å |
| 25 | A | 70.7 | Confident | 63.2 | Low | 57 Ų | 57 | 137.5 Ų | 137.5 | 47% | 0.471 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -64.8 | -36.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R21 R22 G29 | R21-A25 WeakPolarHBondContact O-CB 3.21Å; R21-A25 PolarHBondContact O-N 2.97Å; R22-A25 CarbonylContact O-C 3.59Å; R22-A25 WeakPolarHBondContact O-CB 3.46Å; R22-A25 PolarHBondContact O-N 2.86Å; R22-A25 VanDerWaalsContact O-N 3.1Å; A25-G29 WeakPolarHBondContact O-CA 3.12Å; A25-G29 PolarHBondContact O-N 3.2Å |
| 26 | E | 73.5 | Confident | 60.6 | Low | 134 Ų | 134 | 135.3 Ų | 135.3 | 63% | 0.626 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -75.6 | -25.3 | 176.5 | -71.8 | 166.5 | -179.6 | 0 | 0 | 112.8 | R22 L24 | R22-E26 VanDerWaalsContact CD-OE1 3.24Å; R22-E26 WeakPolarHBondContact CD-OE1 3.44Å; R22-E26 VanDerWaalsContact CG-CD 3.48Å; R22-E26 HydrophobicContact CG-CG 4.23Å; R22-E26 WeakPolarHBondContact CG-OE1 3.46Å; R22-E26 WeakPolarHBondContact O-CB 3.35Å; R22-E26 WeakPolarHBondContact O-CG 3.43Å; R22-E26 PolarHBondContact O-N 3.11Å; L24-E26 VanDerWaalsContact C-N 3.34Å |
| 27 | R | 64.9 | Low | 57.8 | Low | 169 Ų | 169 | 133.6 Ų | 133.6 | 64% | 0.638 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -87.3 | -26.5 | 175.5 | -75.1 | 173.9 | -175 | -104.2 | 6.1 | 114.5 | E23 L24 | E23-R27 VanDerWaalsContact O-CB 3.28Å; E23-R27 WeakPolarHBondContact O-CB 3.29Å; E23-R27 WeakPolarHBondContact O-CG 3.38Å; E23-R27 PolarHBondContact O-N 2.84Å; E23-R27 IonicContact OE1-CZ 2.69Å; E23-R27 VanDerWaalsContact OE1-CZ 3.27Å; E23-R27 IonicContact OE1-NE 3.36Å; E23-R27 PolarHBondContact OE1-NE 3.31Å; E23-R27 IonicContact OE1-NH2 2.74Å; E23-R27 PolarHBondContact OE1-NH2 3.33Å; L24-R27 PolarHBondContact O-N 2.88Å |
| 28 | Y | 58.6 | Low | 55.3 | Low | 190 Ų | 190 | 135.2 Ų | 135.2 | 75% | 0.745 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -129.1 | -12.8 | -171.3 | -63.3 | -77.9 | 0 | 0 | 0 | 114.9 | L24 | L24-Y28 HydrophobicContact CD2-CD2 3.92Å; L24-Y28 HydrophobicContact CD2-CE2 3.7Å; L24-Y28 WeakPolarHBondContact O-CB 3.36Å; L24-Y28 WeakPolarHBondContact O-CD2 3.49Å; L24-Y28 PolarHBondContact O-N 2.95Å |
| 29 | G | 44.1 | Very low | 52.7 | Low | 55 Ų | 55 | 143.6 Ų | 143.6 | 57% | 0.567 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -101.7 | 50.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | A25 | A25-G29 WeakPolarHBondContact O-CA 3.12Å; A25-G29 PolarHBondContact O-N 3.2Å |
| 30 | S | 32.9 | Very low | 50 | Low | 105 Ų | 105 | 142.4 Ų | 142.4 | 73% | 0.734 | 69% | 0.694 | S | S | * | * | trans | -152.2 | 68.1 | 179.1 | -68.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 31 | Q | 38.3 | Very low | 47.5 | Very low | 195 Ų | 195 | 145.2 Ų | 145.2 | 91% | 0.911 | 71% | 0.71 | S | S | * | * | trans | -148.9 | 39.1 | 160.8 | -148.5 | 172.2 | 1.1 | 0 | 0 | 113.8 | ||||
| 32 | E | 34.2 | Very low | 45.2 | Very low | 195 Ų | 195 | 145 Ų | 145 | 91% | 0.911 | 71% | 0.709 | S | S | * | * | trans | -128.1 | 93.9 | 164.9 | -74.7 | -168.5 | 147.1 | 0 | 0 | 110.6 | ||||
| 33 | E | 33.5 | Very low | 42.6 | Very low | 195 Ų | 195 | 141.9 Ų | 141.9 | 91% | 0.911 | 70% | 0.702 | S | S | * | * | trans | -130.4 | 147.3 | 154.1 | -65.2 | -173.2 | 127.9 | 0 | 0 | 105 | ||||
| 34 | E | 33.6 | Very low | 40.2 | Very low | 176 Ų | 176 | 148 Ų | 148 | 82% | 0.822 | 72% | 0.723 | S | S | * | * | cis | -133.4 | -167.5 | 22 | -56.8 | 177.6 | 93 | 0 | 0 | 113 | ||||
| 35 | L | 33.8 | Very low | 38.4 | Very low | 155 Ų | 155 | 151.5 Ų | 151.5 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | trans | 89.6 | 137.7 | 166.6 | -54.9 | -171.8 | 0 | 0 | 0 | 116.2 | ||||
| 36 | P | 31.4 | Very low | 36.4 | Very low | 119 Ų | 119 | 152.1 Ų | 152.1 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | -130.3 | 165 | -103.9 | 35.2 | -18.7 | 0 | 0 | 0 | 117.5 | |||||
| 37 | S | 30.8 | Very low | 34.3 | Very low | 104 Ų | 104 | 157.6 Ų | 157.6 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | -49.8 | 148.6 | -175.9 | 64.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 38 | K | 29.7 | Very low | 32.7 | Very low | 172 Ų | 172 | 153 Ų | 153 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | -170.4 | 169.2 | 108.6 | -102.5 | 167.6 | -174.4 | 173.4 | 0 | 113.3 | |||||
| 39 | W | 30 | Very low | 31.5 | Very low | 236 Ų | 236 | 151.4 Ų | 151.4 | 89% | 0.894 | 77% | 0.772 | S | S | * | * | trans | 71.3 | 66.6 | 165.3 | -54.1 | 118 | 0 | 0 | 0 | 119.1 | ||||
| 40 | S | 27.9 | Very low | 30.9 | Very low | 108 Ų | 108 | 159.1 Ų | 159.1 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | -75.5 | 162.6 | 143.6 | 60.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 41 | K | 29.3 | Very low | 30.9 | Very low | 175 Ų | 175 | 159.7 Ų | 159.7 | 76% | 0.761 | 78% | 0.778 | S | S | * | * | trans | 112.5 | 101.5 | 140.3 | -160 | -178.2 | 178.7 | -174.5 | 0 | 119.6 | ||||
| 42 | R | 26.5 | Very low | 30.7 | Very low | 192 Ų | 192 | 156 Ų | 156 | 73% | 0.725 | 77% | 0.774 | S | S | * | * | trans | 83.7 | 134.2 | 133.8 | -80.9 | -174.9 | -179.8 | -135 | 7.5 | 123.6 | ||||
| 43 | E | 26.7 | Very low | 30.6 | Very low | 109 Ų | 109 | 150.6 Ų | 150.6 | 51% | 0.509 | 76% | 0.757 | S | S | . | * | trans | 60.4 | 111.5 | 130.4 | -73.9 | -172.2 | 89.8 | 0 | 0 | 121.5 | ||||
| 44 | R | 27.5 | Very low | 30.6 | Very low | 178 Ų | 178 | 150.5 Ų | 150.5 | 67% | 0.672 | 76% | 0.755 | S | S | * | * | 108.3 | 122.2 | 100.1 | 179.6 | -170.3 | -70.8 | -98.6 | 7.4 | 117.9 | |||||
| 45 | E | 28 | Very low | 30.5 | Very low | 162 Ų | 162 | 146 Ų | 146 | 76% | 0.757 | 75% | 0.747 | S | S | * | * | trans | 58.5 | 139.4 | 153.8 | -65.1 | 160.9 | -136.5 | 0 | 0 | 119.6 | ||||
| 46 | G | 29.1 | Very low | 30.4 | Very low | 70 Ų | 70 | 145.4 Ų | 145.4 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | trans | 139 | 62.8 | 144.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 47 | R | 29.3 | Very low | 30.5 | Very low | 250 Ų | 250 | 144.6 Ų | 144.6 | 94% | 0.943 | 74% | 0.738 | S | S | * | * | trans | 39.9 | 95.1 | 145.7 | -67.5 | -179.6 | -99.2 | -114.4 | -3.4 | 119.5 | ||||
| 48 | G | 31.1 | Very low | 30.5 | Very low | 72 Ų | 72 | 144.6 Ų | 144.6 | 74% | 0.742 | 74% | 0.738 | S | S | * | * | 93.3 | 159.7 | 101 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 49 | I | 34.2 | Very low | 30.5 | Very low | 157 Ų | 157 | 142.1 Ų | 142.1 | 81% | 0.805 | 74% | 0.737 | S | S | * | * | trans | 80.8 | 102.8 | 153.3 | -57.6 | 176.9 | 0 | 0 | 0 | 118 | ||||
| 50 | R | 31.2 | Very low | 30.5 | Very low | 217 Ų | 217 | 136.4 Ų | 136.4 | 82% | 0.819 | 73% | 0.733 | S | S | * | * | trans | 64.8 | 156.9 | 141.2 | -65.7 | -175.2 | 163.2 | -179.2 | -2.5 | 119.3 | ||||
| 51 | D | 33.1 | Very low | 30.6 | Very low | 117 Ų | 117 | 135 Ų | 135 | 63% | 0.626 | 74% | 0.736 | S | S | * | * | cis | -162.7 | 148.7 | -16.6 | -98 | -23 | 0 | 0 | 0 | 107.2 | ||||
| 52 | S | 34 | Very low | 30.6 | Very low | 116 Ų | 116 | 130.2 Ų | 130.2 | 81% | 0.811 | 74% | 0.736 | S | S | * | * | trans | 63.5 | 158.7 | 152.3 | 74.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 53 | S | 32.7 | Very low | 31 | Very low | 82 Ų | 82 | 128.2 Ų | 128.2 | 57% | 0.573 | 74% | 0.738 | S | S | * | * | cis | -178.3 | 164.8 | -19.2 | 49 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 54 | F | 31.6 | Very low | 31.1 | Very low | 194 Ų | 194 | 130.6 Ų | 130.6 | 85% | 0.851 | 75% | 0.754 | S | S | * | * | trans | 69.3 | 130.3 | 172.8 | -62.2 | -76.3 | 0 | 0 | 0 | 115.2 | ||||
| 55 | A | 33.1 | Very low | 31.3 | Very low | 81 Ų | 81 | 126 Ų | 126 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | 76.2 | 148.6 | 63.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 56 | D | 31.6 | Very low | 31.4 | Very low | 142 Ų | 142 | 121.5 Ų | 121.5 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | cis | -162.6 | 163.9 | 19.8 | -154.3 | 33.8 | 0 | 0 | 0 | 114 | ||||
| 57 | T | 32.6 | Very low | 31.3 | Very low | 103 Ų | 103 | 125.6 Ų | 125.6 | 63% | 0.632 | 77% | 0.77 | S | S | * | * | trans | 57 | 96.8 | 139.7 | -69 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 58 | S | 30.9 | Very low | 31.3 | Very low | 103 Ų | 103 | 117.3 Ų | 117.3 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | 91.1 | 169.4 | 114.6 | 84.1 | 0 | 0 | 0 | 0 | 126.1 | |||||
| 59 | V | 30.8 | Very low | 31.2 | Very low | 120 Ų | 120 | 124.5 Ų | 124.5 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | 90.3 | 90.9 | 147.7 | 169.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 60 | S | 29.6 | Very low | 30.8 | Very low | 116 Ų | 116 | 124.1 Ų | 124.1 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | 68.6 | 159.8 | 123.4 | 89.9 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 61 | G | 29.7 | Very low | 30.7 | Very low | 80 Ų | 80 | 117.3 Ų | 117.3 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | trans | 92.7 | 133.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 62 | G | 30 | Very low | 30.4 | Very low | 73 Ų | 73 | 123.1 Ų | 123.1 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | cis | 109.4 | 150 | 20.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 63 | I | 33.9 | Very low | 30.1 | Very low | 151 Ų | 151 | 121.5 Ų | 121.5 | 77% | 0.774 | 77% | 0.772 | S | S | * | * | cis | -165.8 | 157.8 | 4.5 | -110.1 | 163.8 | 0 | 0 | 0 | 107.9 | ||||
| 64 | N | 29.9 | Very low | 29.9 | Very low | 158 Ų | 158 | 123.5 Ų | 123.5 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | trans | 64.5 | 129.7 | 163.2 | -72.3 | -16.7 | 0 | 0 | 0 | 122.9 | ||||
| 65 | G | 30.3 | Very low | 30 | Very low | 83 Ų | 83 | 120.5 Ų | 120.5 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | 103.7 | 134.7 | 119.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 66 | G | 30.4 | Very low | 29.9 | Very low | 66 Ų | 66 | 123.9 Ų | 123.9 | 68% | 0.68 | 78% | 0.775 | S | S | * | * | cis | 163 | 162.6 | -9.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 67 | T | 28 | Very low | 29.9 | Very low | 156 Ų | 156 | 123.2 Ų | 123.2 | 96% | 0.957 | 77% | 0.767 | S | S | * | * | trans | 52.1 | 120.7 | 153.4 | 57.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 68 | G | 29.5 | Very low | 29.7 | Very low | 77 Ų | 77 | 127.8 Ų | 127.8 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | 148.7 | 88.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 69 | R | 27.9 | Very low | 29.5 | Very low | 223 Ų | 223 | 128.6 Ų | 128.6 | 84% | 0.842 | 77% | 0.774 | S | S | * | * | cis | 86.4 | 118.1 | 37 | -156.3 | -163.7 | 178.9 | 173.5 | 4.3 | 113.7 | ||||
| 70 | N | 26.8 | Very low | 29.3 | Very low | 149 Ų | 149 | 126.3 Ų | 126.3 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | 84.7 | 151.8 | 166.5 | -51.6 | -40.9 | 0 | 0 | 0 | 119.6 | ||||
| 71 | G | 27.4 | Very low | 29.4 | Very low | 74 Ų | 74 | 130.1 Ų | 130.1 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | trans | 98.9 | 74.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 72 | R | 27.5 | Very low | 29.3 | Very low | 239 Ų | 239 | 134 Ų | 134 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | cis | 74.1 | 121.4 | 49.5 | -173.7 | -174.7 | 175.1 | -176.4 | -0.3 | 114.5 | ||||
| 73 | A | 28.1 | Very low | 29.1 | Very low | 82 Ų | 82 | 134.4 Ų | 134.4 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | trans | 68.6 | 147.7 | 165 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 74 | T | 29.4 | Very low | 28.6 | Very low | 124 Ų | 124 | 135.1 Ų | 135.1 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | cis | -150.9 | 164.4 | -7.1 | 1.5 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 75 | L | 32.6 | Very low | 28.5 | Very low | 130 Ų | 130 | 131 Ų | 131 | 68% | 0.681 | 76% | 0.761 | S | S | * | * | -171.7 | 124 | 66.8 | -161.3 | 67.1 | 0 | 0 | 0 | 109.5 | |||||
| 76 | E | 32.1 | Very low | 28.3 | Very low | 153 Ų | 153 | 137.1 Ų | 137.1 | 72% | 0.715 | 76% | 0.759 | S | S | * | * | trans | 61 | 144 | 136.9 | -64.1 | 173.5 | -178.8 | 0 | 0 | 121.8 | ||||
| 77 | E | 29.9 | Very low | 28.3 | Very low | 128 Ų | 128 | 141.6 Ų | 141.6 | 60% | 0.598 | 76% | 0.76 | S | S | * | * | cis | -146.1 | 140 | -16.4 | -92.5 | -128.1 | 124.5 | 0 | 0 | 106.1 | ||||
| 78 | R | 29.3 | Very low | 28.3 | Very low | 199 Ų | 199 | 141.8 Ų | 141.8 | 75% | 0.751 | 75% | 0.752 | S | S | * | * | 61.1 | 146.4 | 70.8 | -68.6 | 169.8 | 152.3 | -175.1 | -2.8 | 113.3 | |||||
| 79 | T | 26.8 | Very low | 28.3 | Very low | 120 Ų | 120 | 142.8 Ų | 142.8 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | cis | -160.3 | 149.1 | -6.1 | 9.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 80 | A | 26.2 | Very low | 28.4 | Very low | 71 Ų | 71 | 138.1 Ų | 138.1 | 59% | 0.587 | 74% | 0.736 | S | S | * | * | trans | 29.1 | 129.5 | 130.1 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 81 | K | 31.8 | Very low | 28.4 | Very low | 197 Ų | 197 | 135.9 Ų | 135.9 | 86% | 0.857 | 73% | 0.732 | S | S | * | * | trans | 70.3 | 175.3 | 131.4 | -65.6 | 173.6 | -177.3 | -178.7 | 0 | 118.4 | ||||
| 82 | I | 26.7 | Very low | 28.4 | Very low | 160 Ų | 160 | 135.8 Ų | 135.8 | 82% | 0.821 | 73% | 0.731 | S | S | * | * | trans | 75.1 | 130.9 | 174.2 | -50.1 | 169.4 | 0 | 0 | 0 | 112.1 | ||||
| 83 | S | 26 | Very low | 28.4 | Very low | 82 Ų | 82 | 132 Ų | 132 | 57% | 0.573 | 72% | 0.723 | S | S | * | * | cis | 160.3 | 143.9 | -30.9 | 57.2 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 84 | N | 24.9 | Very low | 28.4 | Very low | 166 Ų | 166 | 133.4 Ų | 133.4 | 89% | 0.888 | 72% | 0.719 | S | S | * | * | trans | 66.5 | 150.8 | 160.9 | -50.6 | -19.6 | 0 | 0 | 0 | 118.1 | ||||
| 85 | G | 27.1 | Very low | 28.2 | Very low | 72 Ų | 72 | 132 Ų | 132 | 74% | 0.742 | 71% | 0.711 | S | S | * | * | trans | 108.9 | 84.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 86 | Y | 26.9 | Very low | 28 | Very low | 211 Ų | 211 | 134 Ų | 134 | 83% | 0.827 | 71% | 0.714 | S | S | * | * | cis | 77.5 | 98.7 | 35.9 | -129.4 | -87.8 | 0 | 0 | 0 | 114.2 | ||||
| 87 | K | 29.3 | Very low | 27.7 | Very low | 161 Ų | 161 | 133.7 Ų | 133.7 | 70% | 0.7 | 72% | 0.717 | S | S | * | * | trans | 62.9 | 157.2 | 160.8 | -67.3 | -166 | 171.3 | -154.4 | 0 | 116.5 | ||||
| 88 | M | 28.5 | Very low | 27.6 | Very low | 159 Ų | 159 | 138.4 Ų | 138.4 | 78% | 0.783 | 73% | 0.73 | S | S | * | * | cis | -137.1 | 131.1 | 32.8 | -71.9 | 175 | 75.5 | 0 | 0 | 110.4 | ||||
| 89 | D | 29.7 | Very low | 27.5 | Very low | 99 Ų | 99 | 133 Ų | 133 | 53% | 0.529 | 73% | 0.728 | S | S | . | * | 88.2 | 149.5 | 92.6 | -58.9 | -16.4 | 0 | 0 | 0 | 111 | |||||
| 90 | T | 28.9 | Very low | 27.6 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 76% | 0.761 | 73% | 0.728 | S | S | * | * | cis | -146.8 | 169.3 | 23.1 | -24.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 91 | S | 27.5 | Very low | 27.7 | Very low | 103 Ų | 103 | 134.7 Ų | 134.7 | 72% | 0.72 | 73% | 0.734 | S | S | * | * | trans | -27.2 | 153.9 | 161.5 | 54.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 92 | G | 27.7 | Very low | 27.6 | Very low | 72 Ų | 72 | 133.2 Ų | 133.2 | 74% | 0.742 | 73% | 0.732 | S | S | * | * | cis | 170.3 | -163.4 | 9.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 93 | E | 27.1 | Very low | 27.8 | Very low | 159 Ų | 159 | 128.7 Ų | 128.7 | 74% | 0.743 | 73% | 0.725 | S | S | * | * | cis | 178.2 | 152.4 | -3.1 | -124.4 | -162.5 | 126.6 | 0 | 0 | 103.8 | ||||
| 94 | N | 27.1 | Very low | 28.3 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 59% | 0.594 | 74% | 0.736 | S | S | * | * | trans | 68.1 | 99.2 | 144.6 | -63.8 | -24.9 | 0 | 0 | 0 | 123.2 | ||||
| 95 | T | 26.7 | Very low | 28.7 | Very low | 94 Ų | 94 | 129.5 Ų | 129.5 | 58% | 0.577 | 73% | 0.731 | S | S | * | * | 85.9 | 121.2 | 110.9 | 61.1 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 96 | K | 27.9 | Very low | 29 | Very low | 174 Ų | 174 | 129.2 Ų | 129.2 | 76% | 0.757 | 73% | 0.727 | S | S | * | * | 68.5 | 148.4 | 120.9 | -61.1 | 168.3 | -172.4 | 166.7 | 0 | 120.2 | |||||
| 97 | N | 26.9 | Very low | 29.2 | Very low | 146 Ų | 146 | 125.6 Ų | 125.6 | 78% | 0.781 | 73% | 0.728 | S | S | * | * | trans | 92.7 | 139.5 | 158.5 | -50.3 | -57.6 | 0 | 0 | 0 | 115.1 | ||||
| 98 | R | 26.2 | Very low | 29.5 | Very low | 226 Ų | 226 | 123.7 Ų | 123.7 | 85% | 0.853 | 73% | 0.729 | S | S | * | * | cis | 150 | 128.3 | -18.9 | 159.8 | 179 | 169.7 | 158 | 2.6 | 106.4 | ||||
| 99 | A | 28.5 | Very low | 29.7 | Very low | 87 Ų | 87 | 123.3 Ų | 123.3 | 72% | 0.719 | 73% | 0.73 | S | S | * | * | trans | 65.3 | 164.3 | 172 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 100 | C | 27.9 | Very low | 29.7 | Very low | 108 Ų | 108 | 122.1 Ų | 122.1 | 73% | 0.73 | 74% | 0.741 | S | S | * | * | cis | -140.2 | 146.7 | 12.7 | -113.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 101 | V | 28.7 | Very low | 29.8 | Very low | 117 Ų | 117 | 125.2 Ų | 125.2 | 71% | 0.709 | 75% | 0.747 | S | S | * | * | 63 | 136.5 | 83 | 173.9 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 102 | M | 29.6 | Very low | 29.9 | Very low | 166 Ų | 166 | 125.2 Ų | 125.2 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | cis | -117.8 | 169.4 | 12.7 | -96.1 | -55.6 | -175 | 0 | 0 | 111.4 | ||||
| 103 | G | 31.8 | Very low | 30.7 | Very low | 66 Ų | 66 | 127.4 Ų | 127.4 | 68% | 0.68 | 75% | 0.748 | S | S | * | * | 99.8 | 145.8 | 51.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 104 | L | 36.3 | Very low | 31.3 | Very low | 155 Ų | 155 | 125 Ų | 125 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | cis | -158.6 | -176 | 30.6 | -67.7 | 165.7 | 0 | 0 | 0 | 109.5 | ||||
| 105 | S | 32.6 | Very low | 31.5 | Very low | 110 Ų | 110 | 126.9 Ų | 126.9 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | -178.1 | 139.7 | -64.7 | 59.1 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 106 | G | 33.2 | Very low | 31.9 | Very low | 65 Ų | 65 | 126.7 Ų | 126.7 | 67% | 0.67 | 76% | 0.759 | S | S | * | * | trans | 130.5 | 117.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 107 | T | 32.1 | Very low | 32 | Very low | 136 Ų | 136 | 124.6 Ų | 124.6 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | cis | 88.4 | 121.2 | 20.5 | 77.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 108 | V | 35.1 | Very low | 32.2 | Very low | 120 Ų | 120 | 122.5 Ų | 122.5 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | 175.9 | 118.8 | 121.7 | 150.2 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 109 | D | 32.4 | Very low | 32.3 | Very low | 152 Ų | 152 | 119.7 Ų | 119.7 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | trans | 30.5 | 148.1 | 136.8 | -33.9 | -33.5 | 0 | 0 | 0 | 122.2 | ||||
| 110 | G | 30.2 | Very low | 32.5 | Very low | 73 Ų | 73 | 121.3 Ų | 121.3 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | cis | 169.5 | -177.2 | -0.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 111 | E | 30.7 | Very low | 32.6 | Very low | 189 Ų | 189 | 122.4 Ų | 122.4 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | trans | 71.6 | 83.3 | 164.3 | -61.3 | -164.7 | 122.5 | 0 | 0 | 122.8 | ||||
| 112 | S | 29.4 | Very low | 32.8 | Very low | 103 Ų | 103 | 123.7 Ų | 123.7 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | 63.3 | 119.5 | 123 | 58.9 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 113 | P | 44.6 | Very low | 32.7 | Very low | 119 Ų | 119 | 123.5 Ų | 123.5 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | -89.4 | -174.7 | 152.3 | 39.6 | -34.4 | 0 | 0 | 0 | 111.9 | ||||
| 114 | P | 39 | Very low | 32.7 | Very low | 108 Ų | 108 | 126 Ų | 126 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | -154.7 | -170.2 | 102.8 | 43.5 | -25.7 | 0 | 0 | 0 | 116.8 | |||||
| 115 | D | 32.7 | Very low | 32.3 | Very low | 150 Ų | 150 | 124.5 Ų | 124.5 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | trans | 69.9 | 133.1 | 158.5 | -63.3 | -11.3 | 0 | 0 | 0 | 122.8 | ||||
| 116 | S | 34 | Very low | 32.5 | Very low | 91 Ų | 91 | 126.2 Ų | 126.2 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | cis | -167 | 168.9 | -21.5 | 58.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 117 | T | 30.9 | Very low | 32.6 | Very low | 130 Ų | 130 | 127 Ų | 127 | 80% | 0.798 | 75% | 0.748 | S | S | * | * | trans | 70.3 | 144.5 | 170.5 | 71.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 118 | S | 30.5 | Very low | 32.8 | Very low | 101 Ų | 101 | 123.3 Ų | 123.3 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | cis | -172.2 | 116.9 | -30 | 48.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 119 | D | 28.4 | Very low | 33.2 | Very low | 168 Ų | 168 | 123 Ų | 123 | 90% | 0.898 | 73% | 0.726 | S | S | * | * | trans | -141.8 | 146 | 170.1 | -92.6 | -51.8 | 0 | 0 | 0 | 111 | ||||
| 120 | T | 32.9 | Very low | 33.7 | Very low | 120 Ų | 120 | 118 Ų | 118 | 74% | 0.736 | 71% | 0.711 | S | S | * | * | trans | -139.9 | 120.4 | -178.7 | 49.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 121 | P | 29.6 | Very low | 34.5 | Very low | 132 Ų | 132 | 119.5 Ų | 119.5 | 86% | 0.857 | 70% | 0.698 | S | S | * | * | trans | -75.1 | 133 | 173.2 | 30.9 | -33 | 0 | 0 | 0 | 110.6 | ||||
| 122 | L | 31.9 | Very low | 35 | Very low | 143 Ų | 143 | 115.3 Ų | 115.3 | 75% | 0.749 | 68% | 0.681 | S | S | * | * | trans | -115.8 | 115.9 | -176.3 | -116.2 | 166.7 | 0 | 0 | 0 | 111.9 | H124 | L122-H124 PolarHBondContact O-N 3.12Å; L122-H124 PolarHBondContact O-ND1 3.27Å; L122-H124 VanDerWaalsContact O-ND1 3.11Å | ||
| 123 | L | 28.8 | Very low | 35.6 | Very low | 163 Ų | 163 | 117.3 Ų | 117.3 | 85% | 0.853 | 68% | 0.677 | S | S | * | * | trans | -62.1 | 122.8 | -176.6 | -63.1 | 163.4 | 0 | 0 | 0 | 111.5 | ||||
| 124 | H | 30.6 | Very low | 35.6 | Very low | 119 Ų | 119 | 116.8 Ų | 116.8 | 55% | 0.551 | 67% | 0.668 | S | S | * | * | trans | -98.9 | 96 | -177.3 | -94 | 76 | 0 | 0 | 0 | 113.2 | L122 H126 | L122-H124 PolarHBondContact O-N 3.12Å; L122-H124 PolarHBondContact O-ND1 3.27Å; L122-H124 VanDerWaalsContact O-ND1 3.11Å; H124-H126 AromaticContact CD2-CE1 3.67Å; H124-H126 AromaticContact CD2-NE2 3.65Å; H124-H126 AromaticContact CG-NE2 3.95Å | ||
| 125 | T | 29.6 | Very low | 35.8 | Very low | 123 Ų | 123 | 114.1 Ų | 114.1 | 76% | 0.755 | 66% | 0.655 | S | S | * | * | trans | -93.2 | 89.4 | 171.1 | 55.8 | 0 | 0 | 0 | 0 | 110.5 | V127 | T125-V127 PolarHBondContact O-N 3.48Š| ||
| 126 | H | 36.3 | Very low | 36.1 | Very low | 145 Ų | 145 | 113.5 Ų | 113.5 | 67% | 0.671 | 65% | 0.651 | S | S | * | * | trans | -74.2 | 87.4 | -178.4 | -66.6 | -86.4 | 0 | 0 | 0 | 112.7 | H124 E883 | H124-H126 AromaticContact CD2-CE1 3.67Å; H124-H126 AromaticContact CD2-NE2 3.65Å; H124-H126 AromaticContact CG-NE2 3.95Å; H126-E883 IonicContact CE1-OE1 3.95Å; H126-E883 PolarHBondContact CE1-OE1 3.17Å | ||
| 127 | V | 35.5 | Very low | 36.5 | Very low | 81 Ų | 81 | 115.9 Ų | 115.9 | 49% | 0.491 | 66% | 0.656 | S | S | . | * | trans | -78.3 | 141.4 | 163.9 | 178.2 | 0 | 0 | 0 | 0 | 109.4 | T125 V129 Q131 L132 | T125-V127 PolarHBondContact O-N 3.48Å; V127-V129 PolarHBondContact O-N 2.99Å; V127-Q131 HydrophobicContact CG1-CB 4.32Å; V127-L132 HydrophobicContact CB-CD1 4.33Å; V127-L132 HydrophobicContact CG1-CD1 4.45Å; V127-L132 HydrophobicContact CG1-CG 4.39Å | ||
| 128 | S | 36.3 | Very low | 37 | Very low | 59 Ų | 59 | 117.7 Ų | 117.7 | 41% | 0.413 | 66% | 0.655 | S | S | . | * | trans | -63.4 | 138.6 | -176.3 | 80.7 | 0 | 0 | 0 | 0 | 112.5 | G130 Q131 L132 | S128-G130 PolarHBondContact O-N 3.37Å; S128-G130 VanDerWaalsContact O-N 3.13Å; S128-Q131 PolarHBondContact O-N 2.66Å; S128-Q131 VanDerWaalsContact O-N 3.1Å; S128-Q131 VanDerWaalsContact OG-CD 3.23Å; S128-Q131 WeakPolarHBondContact OG-CG 3.34Å; S128-Q131 PolarHBondContact OG-N 2.6Å; S128-Q131 PolarHBondContact OG-OE1 2.67Å; S128-L132 PolarHBondContact O-N 2.95Å | ||
| 129 | V | 43 | Very low | 37.3 | Very low | 113 Ų | 113 | 120 Ų | 120 | 69% | 0.685 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -63.7 | -21 | -178.5 | -178.5 | 0 | 0 | 0 | 0 | 112.2 | V127 K133 | V127-V129 PolarHBondContact O-N 2.99Å; V129-K133 PolarHBondContact O-N 3.25Å |
| 130 | G | 42.9 | Very low | 37.3 | Very low | 48 Ų | 48 | 119 Ų | 119 | 50% | 0.495 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -66.8 | -47.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S128 K133 N134 | S128-G130 PolarHBondContact O-N 3.37Å; S128-G130 VanDerWaalsContact O-N 3.13Å; G130-K133 PolarHBondContact O-N 2.91Å; G130-N134 PolarHBondContact O-N 3.06Å |
| 131 | Q | 47.6 | Very low | 37.1 | Very low | 105 Ų | 105 | 119.2 Ų | 119.2 | 49% | 0.491 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -65.1 | -42 | 179 | -72 | 159.5 | -39.1 | 0 | 0 | 111.6 | V127 S128 K133 N134 A135 | V127-Q131 HydrophobicContact CG1-CB 4.32Å; S128-Q131 PolarHBondContact O-N 2.66Å; S128-Q131 VanDerWaalsContact O-N 3.1Å; S128-Q131 VanDerWaalsContact OG-CD 3.23Å; S128-Q131 WeakPolarHBondContact OG-CG 3.34Å; S128-Q131 PolarHBondContact OG-N 2.6Å; S128-Q131 PolarHBondContact OG-OE1 2.67Å; Q131-K133 VanDerWaalsContact C-N 3.3Å; Q131-K133 PolarHBondContact O-N 2.89Å; Q131-N134 PolarHBondContact O-N 2.99Å; Q131-A135 PolarHBondContact O-N 2.84Å |
| 132 | L | 41.4 | Very low | 37 | Very low | 101 Ų | 101 | 118.5 Ų | 118.5 | 53% | 0.529 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -62.5 | -33.3 | 175.1 | -87.8 | 161 | 0 | 0 | 0 | 113.2 | V127 S128 L136 | V127-L132 HydrophobicContact CB-CD1 4.33Å; V127-L132 HydrophobicContact CG1-CD1 4.45Å; V127-L132 HydrophobicContact CG1-CG 4.39Å; S128-L132 PolarHBondContact O-N 2.95Å; L132-L136 WeakPolarHBondContact O-CB 3.44Å; L132-L136 PolarHBondContact O-N 3.46Å; L132-L136 VanDerWaalsContact O-N 3.1Å |
| 133 | K | 41.3 | Very low | 37.1 | Very low | 145 Ų | 145 | 117 Ų | 117 | 63% | 0.63 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -67.4 | -40.6 | 176.7 | -115.2 | 175.4 | 179.3 | 174.7 | 0 | 112.9 | V129 G130 Q131 L137 | V129-K133 PolarHBondContact O-N 3.25Å; G130-K133 PolarHBondContact O-N 2.91Å; Q131-K133 VanDerWaalsContact C-N 3.3Å; Q131-K133 PolarHBondContact O-N 2.89Å; K133-L137 PolarHBondContact O-N 3.14Å |
| 134 | N | 45 | Very low | 37.2 | Very low | 107 Ų | 107 | 113.5 Ų | 113.5 | 57% | 0.572 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -70.9 | -41.5 | 176.8 | -76.9 | -9.8 | 0 | 0 | 0 | 111.7 | G130 Q131 L136 L137 Q138 | G130-N134 PolarHBondContact O-N 3.06Å; Q131-N134 PolarHBondContact O-N 2.99Å; N134-L136 PolarHBondContact O-N 2.89Å; N134-L137 PolarHBondContact O-N 2.89Å; N134-Q138 WeakPolarHBondContact O-CG 3.22Å; N134-Q138 PolarHBondContact O-N 3.19Å |
| 135 | A | 42.1 | Very low | 37.3 | Very low | 53 Ų | 53 | 112.6 Ų | 112.6 | 44% | 0.438 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -60.1 | -41.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q131 | Q131-A135 PolarHBondContact O-N 2.84Å |
| 136 | L | 40.4 | Very low | 37.4 | Very low | 137 Ų | 137 | 112 Ų | 112 | 72% | 0.717 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -75.9 | -22.7 | -176.8 | -152 | 72.8 | 0 | 0 | 0 | 113.6 | L132 N134 | L132-L136 WeakPolarHBondContact O-CB 3.44Å; L132-L136 PolarHBondContact O-N 3.46Å; L132-L136 VanDerWaalsContact O-N 3.1Å; N134-L136 PolarHBondContact O-N 2.89Å |
| 137 | L | 40.6 | Very low | 37.3 | Very low | 141 Ų | 141 | 112.8 Ų | 112.8 | 74% | 0.738 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -85.6 | -18.6 | 178.1 | -95.7 | 153.3 | 0 | 0 | 0 | 114.1 | K133 N134 | K133-L137 PolarHBondContact O-N 3.14Å; N134-L137 PolarHBondContact O-N 2.89Å |
| 138 | Q | 42.3 | Very low | 37 | Very low | 167 Ų | 167 | 119.6 Ų | 119.6 | 78% | 0.78 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -88.2 | -9.7 | 179.6 | -69.6 | -176.1 | 5.4 | 0 | 0 | 114.5 | N134 | N134-Q138 WeakPolarHBondContact O-CG 3.22Å; N134-Q138 PolarHBondContact O-N 3.19Å |
| 139 | Q | 36.5 | Very low | 36.7 | Very low | 151 Ų | 151 | 124 Ų | 124 | 71% | 0.706 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -90.4 | -4.7 | -172.2 | -73.4 | -167.1 | -12.2 | 0 | 0 | 116.7 | ||
| 140 | N | 28.4 | Very low | 36 | Very low | 145 Ų | 145 | 124.8 Ų | 124.8 | 78% | 0.775 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -145.5 | 76.2 | -171.7 | -81.9 | -65.6 | 0 | 0 | 0 | 116.8 | ||
| 141 | S | 29.3 | Very low | 35.4 | Very low | 125 Ų | 125 | 127 Ų | 127 | 87% | 0.874 | 73% | 0.73 | S | S | * | * | trans | -171.1 | 100.2 | 145.3 | 58.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 142 | S | 26.7 | Very low | 34.4 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | -170.6 | 162.6 | 164.5 | -145 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 143 | P | 35.3 | Very low | 33.8 | Very low | 111 Ų | 111 | 128.8 Ų | 128.8 | 72% | 0.721 | 76% | 0.76 | S | S | * | * | cis | -137.7 | -172.1 | 2.1 | 43.6 | -26.2 | 0 | 0 | 0 | 115.8 | ||||
| 144 | A | 30 | Very low | 33.3 | Very low | 90 Ų | 90 | 129.8 Ų | 129.8 | 74% | 0.744 | 77% | 0.773 | S | S | * | * | trans | 68.2 | 124.1 | 157.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 145 | A | 32.2 | Very low | 32.5 | Very low | 101 Ų | 101 | 131.3 Ų | 131.3 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | 78.3 | 140.5 | 56.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 146 | S | 32.5 | Very low | 32 | Very low | 109 Ų | 109 | 135.5 Ų | 135.5 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | cis | -163.1 | 163.4 | 13 | 56.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 147 | D | 34.5 | Very low | 31.4 | Very low | 163 Ų | 163 | 132 Ų | 132 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | -155.7 | 168.6 | 127.5 | -142.1 | -22.7 | 0 | 0 | 0 | 112.6 | |||||
| 148 | R | 28.1 | Very low | 30.9 | Very low | 224 Ų | 224 | 133 Ų | 133 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | -134.2 | 141.9 | -171.4 | -70 | 176.2 | 168.4 | 179.5 | -4.4 | 114.3 | ||||
| 149 | V | 31.6 | Very low | 30.2 | Very low | 152 Ų | 152 | 130.9 Ų | 130.9 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | -137.6 | 145.2 | 145.1 | -176.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 150 | V | 27.4 | Very low | 29.8 | Very low | 129 Ų | 129 | 130.9 Ų | 130.9 | 78% | 0.782 | 80% | 0.804 | S | S | * | * | trans | -89.3 | 144.2 | -169.8 | 171.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 151 | A | 30.3 | Very low | 29.9 | Very low | 94 Ų | 94 | 130.8 Ų | 130.8 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | trans | -164 | 154.2 | 140.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 152 | D | 27.6 | Very low | 29.8 | Very low | 170 Ų | 170 | 132.3 Ų | 132.3 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | -57.7 | 158.9 | -165 | -53.4 | -52.9 | 0 | 0 | 0 | 118.9 | ||||
| 153 | G | 28.6 | Very low | 29.9 | Very low | 73 Ų | 73 | 132 Ų | 132 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | 161 | 84.9 | 168 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 154 | D | 30.8 | Very low | 29.6 | Very low | 167 Ų | 167 | 130.3 Ų | 130.3 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | trans | 29.4 | 116.5 | 167.5 | -66.8 | -17.1 | 0 | 0 | 0 | 121.1 | ||||
| 155 | V | 26.7 | Very low | 29.6 | Very low | 138 Ų | 138 | 135.3 Ų | 135.3 | 84% | 0.836 | 82% | 0.816 | S | S | * | * | trans | -107.5 | 127 | 166.4 | 173.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 156 | V | 32.1 | Very low | 30.2 | Very low | 141 Ų | 141 | 135.4 Ų | 135.4 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | trans | -118.9 | 101 | 164.3 | 179.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 157 | A | 27.4 | Very low | 29.9 | Very low | 63 Ų | 63 | 140 Ų | 140 | 52% | 0.521 | 82% | 0.818 | S | S | . | * | trans | -75 | 171.2 | 157.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 158 | L | 30.5 | Very low | 29.5 | Very low | 164 Ų | 164 | 135.4 Ų | 135.4 | 86% | 0.859 | 81% | 0.809 | S | S | * | * | -165.6 | 144.3 | 84.2 | -91.8 | 165.6 | 0 | 0 | 0 | 112.9 | |||||
| 159 | T | 27.4 | Very low | 29.6 | Very low | 122 Ų | 122 | 130.9 Ų | 130.9 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | -85.3 | -177.3 | 165.7 | -27.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 160 | L | 28.9 | Very low | 29.4 | Very low | 151 Ų | 151 | 133.3 Ų | 133.3 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | 91.9 | 107.9 | 166.4 | -56.1 | 141.1 | 0 | 0 | 0 | 114.9 | ||||
| 161 | D | 29.4 | Very low | 29.5 | Very low | 143 Ų | 143 | 138 Ų | 138 | 77% | 0.765 | 80% | 0.797 | S | S | * | * | cis | 74.6 | 150.3 | 48.5 | -152.7 | 9.1 | 0 | 0 | 0 | 115.8 | ||||
| 162 | L | 27.2 | Very low | 29.6 | Very low | 157 Ų | 157 | 144.9 Ų | 144.9 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | 86.1 | 130.4 | 175.1 | -89.1 | 66.9 | 0 | 0 | 0 | 122.2 | ||||
| 163 | A | 30 | Very low | 29.8 | Very low | 111 Ų | 111 | 141.2 Ų | 141.2 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | trans | -85.1 | 178.7 | -169.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 164 | G | 27.7 | Very low | 30 | Very low | 74 Ų | 74 | 146.1 Ų | 146.1 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | trans | 173.4 | 58.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 165 | Q | 30.4 | Very low | 30 | Very low | 195 Ų | 195 | 147.4 Ų | 147.4 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | trans | 60.6 | 167.9 | 150.3 | -72.2 | -73.4 | -49.4 | 0 | 0 | 122.4 | ||||
| 166 | P | 44.8 | Very low | 30.4 | Very low | 104 Ų | 104 | 150.5 Ų | 150.5 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | trans | -129.4 | 167 | -167.3 | 44.3 | -30.8 | 0 | 0 | 0 | 118 | ||||
| 167 | E | 26.2 | Very low | 30.5 | Very low | 205 Ų | 205 | 150.9 Ų | 150.9 | 96% | 0.958 | 78% | 0.779 | S | S | * | * | trans | 176.3 | 158.4 | 150.8 | -103.7 | -179.3 | -157.4 | 0 | 0 | 108.5 | ||||
| 168 | G | 27.5 | Very low | 31.4 | Very low | 66 Ų | 66 | 153.9 Ų | 153.9 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | cis | 175.9 | 159.9 | -8.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 169 | N | 29 | Very low | 31.5 | Very low | 130 Ų | 130 | 149.5 Ų | 149.5 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | trans | 69.8 | 114.9 | 161.8 | -79.5 | -47.7 | 0 | 0 | 0 | 124.5 | ||||
| 170 | R | 28.1 | Very low | 31.9 | Very low | 203 Ų | 203 | 151.7 Ų | 151.7 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | 57.1 | 128.2 | 120.4 | -64.1 | 174.1 | -177.8 | 166.9 | -0.7 | 119.9 | |||||
| 171 | R | 29.8 | Very low | 32.5 | Very low | 226 Ų | 226 | 150.2 Ų | 150.2 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | -172.6 | 152.6 | 57.7 | -113 | 137.3 | -179.8 | -170.2 | 1.5 | 114.8 | |||||
| 172 | R | 31.9 | Very low | 32.6 | Very low | 240 Ų | 240 | 148.2 Ų | 148.2 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | trans | -11 | 157.7 | 151.9 | -71.9 | 177.5 | 169.4 | 173.4 | -3.3 | 120.1 | ||||
| 173 | A | 30.7 | Very low | 32.9 | Very low | 92 Ų | 92 | 145.3 Ų | 145.3 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | cis | -166.6 | -130.7 | -13.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 174 | R | 33.3 | Very low | 32.8 | Very low | 176 Ų | 176 | 145.3 Ų | 145.3 | 66% | 0.664 | 79% | 0.79 | S | S | * | * | cis | -169.8 | 94.7 | 13.7 | -174.7 | -165 | 176.1 | -98 | 10.3 | 115.1 | ||||
| 175 | R | 31.7 | Very low | 33 | Very low | 194 Ų | 194 | 153.3 Ų | 153.3 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | trans | 66.9 | 143.9 | 156 | -59.2 | 178.7 | 174 | -179.8 | -4 | 121.1 | ||||
| 176 | Y | 35.4 | Very low | 33.1 | Very low | 204 Ų | 204 | 153.1 Ų | 153.1 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | -156.2 | -175.6 | 103.5 | -93.9 | -63.6 | 0 | 0 | 0 | 111 | |||||
| 177 | L | 34.2 | Very low | 32.3 | Very low | 148 Ų | 148 | 155.3 Ų | 155.3 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | trans | -119.4 | 162.5 | -148.3 | -76.2 | 161.7 | 0 | 0 | 0 | 116.2 | ||||
| 178 | P | 46 | Very low | 32.5 | Very low | 127 Ų | 127 | 150.4 Ų | 150.4 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -97.1 | -179.3 | -177.9 | 40.1 | -37.3 | 0 | 0 | 0 | 114.7 | ||||
| 179 | G | 32.6 | Very low | 32.6 | Very low | 72 Ų | 72 | 154.8 Ų | 154.8 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | trans | -166.1 | 112.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 180 | D | 35.8 | Very low | 32.6 | Very low | 168 Ų | 168 | 157.2 Ų | 157.2 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | trans | 45.7 | 148.2 | 151.8 | -64.6 | -34 | 0 | 0 | 0 | 126.9 | ||||
| 181 | P | 41 | Very low | 33 | Very low | 120 Ų | 120 | 155.5 Ų | 155.5 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | -115.8 | 158.9 | 177 | 42.2 | -32.6 | 0 | 0 | 0 | 116 | ||||
| 182 | A | 31.5 | Very low | 33.2 | Very low | 101 Ų | 101 | 153.8 Ų | 153.8 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | trans | -164.3 | 159.1 | 160 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 183 | A | 33 | Very low | 33.5 | Very low | 96 Ų | 96 | 149 Ų | 149 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | trans | 68.8 | 83.3 | 151 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 184 | S | 28.9 | Very low | 33.7 | Very low | 110 Ų | 110 | 150.4 Ų | 150.4 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | 28.5 | 118.5 | 122.6 | -170.7 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 185 | R | 31.7 | Very low | 33.9 | Very low | 243 Ų | 243 | 146.8 Ų | 146.8 | 92% | 0.917 | 77% | 0.769 | S | S | * | * | -174.7 | 161.2 | 114.7 | -98.8 | 163.1 | -171.3 | -166.7 | 2.5 | 113.9 | |||||
| 186 | K | 32.7 | Very low | 34.2 | Very low | 190 Ų | 190 | 143.4 Ų | 143.4 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | trans | -69 | 137.1 | -172.4 | -51.2 | 171 | -178.7 | -179.9 | 0 | 113.1 | ||||
| 187 | N | 27.6 | Very low | 34.6 | Very low | 151 Ų | 151 | 138.1 Ų | 138.1 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | 177.8 | 162.9 | 114.4 | -93.8 | -3.4 | 0 | 0 | 0 | 115.3 | |||||
| 188 | S | 29.6 | Very low | 35.1 | Very low | 101 Ų | 101 | 134.7 Ų | 134.7 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | trans | -22.6 | 163.8 | 171.3 | 58.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 189 | E | 30.6 | Very low | 35 | Very low | 158 Ų | 158 | 136.8 Ų | 136.8 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | trans | 83.1 | 149.2 | 168.6 | -60.3 | -148 | 111.6 | 0 | 0 | 115.5 | ||||
| 190 | R | 29.7 | Very low | 35.7 | Very low | 182 Ų | 182 | 139.7 Ų | 139.7 | 69% | 0.687 | 74% | 0.737 | S | S | * | * | cis | 163.9 | 161.8 | -15.7 | -171.3 | 173.5 | -172.4 | -175 | 2.4 | 103.6 | ||||
| 191 | F | 36.2 | Very low | 36.1 | Very low | 167 Ų | 167 | 137.2 Ų | 137.2 | 73% | 0.732 | 72% | 0.722 | S | S | * | * | trans | 72 | 121.6 | -175.7 | -47.4 | -81.6 | 0 | 0 | 0 | 112.6 | ||||
| 192 | R | 33.7 | Very low | 36.1 | Very low | 190 Ų | 190 | 139.9 Ų | 139.9 | 72% | 0.717 | 72% | 0.724 | S | S | * | * | 75 | 107.6 | 50.3 | -72.6 | -171.8 | 171.2 | 169 | -3 | 114.6 | |||||
| 193 | T | 37 | Very low | 36.3 | Very low | 138 Ų | 138 | 143.5 Ų | 143.5 | 85% | 0.847 | 72% | 0.724 | S | S | * | * | trans | -107.7 | 160.3 | 142 | 47 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 194 | Q | 35.5 | Very low | 36.2 | Very low | 122 Ų | 122 | 143.5 Ų | 143.5 | 57% | 0.57 | 72% | 0.718 | S | S | * | * | trans | -120.9 | 140 | 172.4 | -66 | -104.8 | 31.1 | 0 | 0 | 107.2 | ||||
| 195 | P | 37 | Very low | 36.3 | Very low | 100 Ų | 100 | 144.7 Ų | 144.7 | 65% | 0.649 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 153.3 | 161.8 | -17.8 | 32.1 | 0 | 0 | 0 | 110.6 | R1419 | P195-R1419 VanDerWaalsContact CD-NH2 3.34Š|
| 196 | I | 39.6 | Very low | 36.4 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 64% | 0.636 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 140 | 175.9 | -70.2 | 169.1 | 0 | 0 | 0 | 109.4 | E200 I201 | I196-E200 HydrophobicContact CG2-CB 3.93Å; I196-I201 HydrophobicContact CG2-CD1 4.38Å; I196-I201 HydrophobicContact CG2-CG1 4.15Å |
| 197 | T | 42.7 | Very low | 36.3 | Very low | 92 Ų | 92 | 133.2 Ų | 133.2 | 56% | 0.564 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -85 | 142.4 | 174.4 | 41.3 | 0 | 0 | 0 | 0 | 111 | F199 E200 | T197-F199 PolarHBondContact O-N 3.43Å; T197-E200 PolarHBondContact O-N 2.8Å |
| 198 | A | 44.3 | Very low | 36.8 | Very low | 76 Ų | 76 | 132.7 Ų | 132.7 | 63% | 0.628 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -52 | -27.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115 | E200 I201 | A198-E200 PolarHBondContact O-N 3.38Å; A198-I201 WeakPolarHBondContact O-CB 3.43Å; A198-I201 PolarHBondContact O-N 3.04Å |
| 199 | F | 45.6 | Very low | 36.8 | Very low | 172 Ų | 172 | 134.7 Ų | 134.7 | 75% | 0.754 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -61.5 | -25.8 | 176 | -137.5 | -87.3 | 0 | 0 | 0 | 113.9 | T197 I201 | T197-F199 PolarHBondContact O-N 3.43Å; F199-I201 VanDerWaalsContact C-N 3.32Å |
| 200 | E | 45.6 | Very low | 37.1 | Very low | 133 Ų | 133 | 130.9 Ų | 130.9 | 62% | 0.621 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -86 | -1 | 176.5 | -63 | -177.5 | 129.4 | 0 | 0 | 112.9 | I196 T197 A198 | I196-E200 HydrophobicContact CG2-CB 3.93Å; T197-E200 PolarHBondContact O-N 2.8Å; A198-E200 PolarHBondContact O-N 3.38Å |
| 201 | I | 45.7 | Very low | 37.2 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 59% | 0.59 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | -18.4 | -179.4 | -62.7 | 176.3 | 0 | 0 | 0 | 111.6 | I196 A198 F199 | I196-I201 HydrophobicContact CG2-CD1 4.38Å; I196-I201 HydrophobicContact CG2-CG1 4.15Å; A198-I201 WeakPolarHBondContact O-CB 3.43Å; A198-I201 PolarHBondContact O-N 3.04Å; F199-I201 VanDerWaalsContact C-N 3.32Å |
| 202 | Q | 40.6 | Very low | 37.1 | Very low | 176 Ų | 176 | 129.7 Ų | 129.7 | 82% | 0.822 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -101.7 | -3.5 | -168.6 | -152.4 | 162.9 | 3 | 0 | 0 | 115 | S204 | Q202-S204 VanDerWaalsContact C-N 3.31Š|
| 203 | E | 35.8 | Very low | 36.9 | Very low | 177 Ų | 177 | 128.4 Ų | 128.4 | 83% | 0.827 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -86.4 | 9.6 | 172.6 | -66.5 | -165.9 | 142.7 | 0 | 0 | 113.7 | ||
| 204 | S | 30.9 | Very low | 36.6 | Very low | 96 Ų | 96 | 128.5 Ų | 128.5 | 67% | 0.671 | 73% | 0.727 | S | S | * | * | trans | -134.1 | 60 | -171.5 | 66.6 | 0 | 0 | 0 | 0 | 115.2 | Q202 | Q202-S204 VanDerWaalsContact C-N 3.31Š| ||
| 205 | C | 31.6 | Very low | 36.3 | Very low | 135 Ų | 135 | 128.5 Ų | 128.5 | 91% | 0.912 | 74% | 0.735 | S | S | * | * | trans | -147.9 | 126.1 | 157.2 | -152.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 206 | G | 32.8 | Very low | 35.9 | Very low | 73 Ų | 73 | 128.5 Ų | 128.5 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | trans | -95.2 | 155.6 | -160.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 207 | T | 29.8 | Very low | 35.4 | Very low | 120 Ų | 120 | 131.4 Ų | 131.4 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | trans | -64.8 | 152.7 | 169.4 | -47.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 208 | V | 38.6 | Very low | 34.9 | Very low | 140 Ų | 140 | 135.9 Ų | 135.9 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | trans | -108 | 117.4 | 160.8 | 178.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 209 | D | 29.7 | Very low | 34.3 | Very low | 143 Ų | 143 | 139 Ų | 139 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | trans | -84.6 | 151 | -178.6 | -69.5 | -54.7 | 0 | 0 | 0 | 112.8 | ||||
| 210 | G | 37.4 | Very low | 33.9 | Very low | 77 Ų | 77 | 135.3 Ų | 135.3 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | -144.6 | 109.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 211 | E | 30.6 | Very low | 33.8 | Very low | 179 Ų | 179 | 138.3 Ų | 138.3 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | trans | -79.7 | 143.1 | -170 | -57.1 | 177.4 | 107.8 | 0 | 0 | 113.1 | ||||
| 212 | N | 34.4 | Very low | 33.8 | Very low | 145 Ų | 145 | 138.7 Ų | 138.7 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | -173.4 | 105.8 | 124.1 | -97.3 | -51.2 | 0 | 0 | 0 | 114.4 | |||||
| 213 | Q | 30.6 | Very low | 34.7 | Very low | 163 Ų | 163 | 135.4 Ų | 135.4 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | 38.6 | 132.5 | 136.7 | -63.3 | 178.5 | 3.5 | 0 | 0 | 123.3 | ||||
| 214 | D | 31.1 | Very low | 35.7 | Very low | 141 Ų | 141 | 131.8 Ų | 131.8 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | trans | 68 | 137.5 | 143.8 | -67.2 | -3.3 | 0 | 0 | 0 | 120.4 | ||||
| 215 | T | 28.4 | Very low | 37.1 | Very low | 121 Ų | 121 | 132.5 Ų | 132.5 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | cis | -151.5 | 163.2 | 10.8 | -2.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 216 | S | 28.7 | Very low | 38.6 | Very low | 100 Ų | 100 | 130 Ų | 130 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | trans | 72.4 | 102.9 | 153.4 | 61.9 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 217 | Q | 28.2 | Very low | 40.1 | Very low | 185 Ų | 185 | 134.1 Ų | 134.1 | 86% | 0.864 | 74% | 0.74 | S | S | * | * | 73.4 | 84.8 | 112.5 | -162.3 | 179.2 | 17.3 | 0 | 0 | 121.3 | |||||
| 218 | M | 32.2 | Very low | 41.9 | Very low | 187 Ų | 187 | 131.3 Ų | 131.3 | 92% | 0.921 | 72% | 0.72 | S | S | * | * | -161.1 | 158.4 | 123.6 | -123.8 | -174.6 | 146.9 | 0 | 0 | 113.3 | |||||
| 219 | D | 31.6 | Very low | 43.7 | Very low | 141 Ų | 141 | 128.2 Ų | 128.2 | 75% | 0.754 | 70% | 0.704 | S | S | * | * | trans | -78.8 | 135.2 | -166 | -63 | -98 | 0 | 0 | 0 | 116.5 | ||||
| 220 | A | 37.8 | Very low | 45.5 | Very low | 95 Ų | 95 | 127.2 Ų | 127.2 | 79% | 0.785 | 70% | 0.703 | S | S | * | * | trans | -122.9 | 95.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | T222 | A220-T222 PolarHBondContact O-N 3.47Å; A220-T222 VanDerWaalsContact O-N 3.07Å | ||
| 221 | K | 42.5 | Very low | 47.5 | Very low | 195 Ų | 195 | 127.1 Ų | 127.1 | 85% | 0.848 | 70% | 0.695 | S | S | * | * | trans | -73.8 | 96.2 | -177.6 | -75.1 | 175.2 | 178.3 | 166.6 | 0 | 112.1 | ||||
| 222 | T | 45.8 | Very low | 49.8 | Very low | 124 Ų | 124 | 120.4 Ų | 120.4 | 76% | 0.761 | 67% | 0.67 | S | S | * | * | trans | -75 | 130.6 | 162.2 | 30.5 | 0 | 0 | 0 | 0 | 110.2 | A220 D224 | A220-T222 PolarHBondContact O-N 3.47Å; A220-T222 VanDerWaalsContact O-N 3.07Å; T222-D224 PolarHBondContact O-N 2.89Å | ||
| 223 | D | 60.3 | Low | 51.7 | Low | 107 Ų | 107 | 117.9 Ų | 117.9 | 57% | 0.572 | 65% | 0.652 | S | S | * | * | trans | -81 | 107.4 | -168.7 | -176.2 | 13.2 | 0 | 0 | 0 | 112.8 | R225 A226 | D223-R225 VanDerWaalsContact CG-CB 3.49Å; D223-R225 PolarHBondContact O-N 2.81Å; D223-R225 WeakPolarHBondContact OD1-CB 3.01Å; D223-R225 PolarHBondContact OD1-N 3.41Å; D223-R225 WeakPolarHBondContact OD2-CB 3.45Å; D223-A226 VanDerWaalsContact O-CB 3.25Å; D223-A226 WeakPolarHBondContact O-CB 3.26Å; D223-A226 PolarHBondContact O-N 3.38Å | ||
| 224 | D | 57.9 | Low | 53.9 | Low | 100 Ų | 100 | 115.6 Ų | 115.6 | 54% | 0.535 | 64% | 0.643 | S | S | . | * | G | 310 helix | trans | -58.7 | -16.9 | 173.9 | -79.2 | -40.8 | 0 | 0 | 0 | 113.6 | T222 A226 K227 M228 | T222-D224 PolarHBondContact O-N 2.89Å; D224-A226 PolarHBondContact O-N 3.22Å; D224-K227 WeakPolarHBondContact O-CB 3.33Å; D224-K227 PolarHBondContact O-N 2.62Å; D224-K227 WeakPolarHBondContact OD1-CD 3.34Å; D224-K227 WeakPolarHBondContact OD1-CE 3.47Å; D224-K227 IonicContact OD1-NZ 2.68Å; D224-K227 PolarHBondContact OD1-NZ 2.75Å; D224-M228 PolarHBondContact O-N 2.87Å |
| 225 | R | 60 | Low | 56.4 | Low | 111 Ų | 111 | 112.3 Ų | 112.3 | 42% | 0.419 | 63% | 0.631 | S | S | . | * | G | 310 helix | trans | -66.9 | -11.5 | 171.7 | -153.5 | 179.4 | -164.9 | 149 | 4 | 113.6 | D223 M228 K233 | D223-R225 VanDerWaalsContact CG-CB 3.49Å; D223-R225 PolarHBondContact O-N 2.81Å; D223-R225 WeakPolarHBondContact OD1-CB 3.01Å; D223-R225 PolarHBondContact OD1-N 3.41Å; D223-R225 WeakPolarHBondContact OD2-CB 3.45Å; R225-M228 HydrophobicContact CG-SD 4.29Å; R225-K233 PolarHBondContact O-NZ 2.82Å |
| 226 | A | 62.6 | Low | 58.9 | Low | 83 Ų | 83 | 109.3 Ų | 109.3 | 69% | 0.686 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -76.2 | -30.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D223 D224 | D223-A226 VanDerWaalsContact O-CB 3.25Å; D223-A226 WeakPolarHBondContact O-CB 3.26Å; D223-A226 PolarHBondContact O-N 3.38Å; D224-A226 PolarHBondContact O-N 3.22Å |
| 227 | K | 63.9 | Low | 61.1 | Low | 159 Ų | 159 | 110.1 Ų | 110.1 | 69% | 0.691 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -11.9 | -179.5 | -56.9 | 174.2 | -167.4 | 156.4 | 0 | 113.2 | D224 S229 | D224-K227 WeakPolarHBondContact O-CB 3.33Å; D224-K227 PolarHBondContact O-N 2.62Å; D224-K227 WeakPolarHBondContact OD1-CD 3.34Å; D224-K227 WeakPolarHBondContact OD1-CE 3.47Å; D224-K227 IonicContact OD1-NZ 2.68Å; D224-K227 PolarHBondContact OD1-NZ 2.75Å; K227-S229 PolarHBondContact O-N 3.05Å |
| 228 | M | 67.4 | Low | 63.6 | Low | 62 Ų | 62 | 108 Ų | 108 | 31% | 0.305 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -70.4 | 122.9 | 179.5 | -66.2 | -169.4 | 79.6 | 0 | 0 | 112.4 | D224 R225 A232 K233 L236 | D224-M228 PolarHBondContact O-N 2.87Å; R225-M228 HydrophobicContact CG-SD 4.29Å; M228-A232 HydrophobicContact CB-CB 4.47Å; M228-A232 HydrophobicContact CE-CB 3.8Å; M228-K233 HydrophobicContact CB-CB 4.49Å; M228-L236 HydrophobicContact CE-CB 4.28Å; M228-L236 HydrophobicContact CE-CD1 3.8Å; M228-L236 HydrophobicContact SD-CD1 4.11Å |
| 229 | S | 76.8 | Confident | 65.8 | Low | 74 Ų | 74 | 104.9 Ų | 104.9 | 52% | 0.517 | 57% | 0.572 | S | S | . | * | trans | -58.7 | 155.8 | 173.4 | 81.4 | 0 | 0 | 0 | 0 | 112 | K227 A231 A232 K233 | K227-S229 PolarHBondContact O-N 3.05Å; S229-A231 PolarHBondContact O-N 3.08Å; S229-A231 VanDerWaalsContact O-N 3.14Å; S229-A232 PolarHBondContact O-N 3.06Å; S229-A232 PolarHBondContact OG-N 3.16Å; S229-K233 WeakPolarHBondContact O-CB 3.32Å; S229-K233 PolarHBondContact O-N 2.6Å | ||
| 230 | V | 67.8 | Low | 67.9 | Low | 122 Ų | 122 | 102.4 Ų | 102.4 | 74% | 0.739 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -53.6 | -38.2 | -179.9 | -178.3 | 0 | 0 | 0 | 0 | 111.8 | M234 | V230-M234 HydrophobicContact CG1-CG 4.38Å; V230-M234 WeakPolarHBondContact O-CB 3.41Å; V230-M234 WeakPolarHBondContact O-CG 3.32Å; V230-M234 PolarHBondContact O-N 3.36Å |
| 231 | A | 79.7 | Confident | 69.7 | Low | 76 Ų | 76 | 105 Ų | 105 | 63% | 0.628 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.1 | -44.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S229 M234 S235 | S229-A231 PolarHBondContact O-N 3.08Å; S229-A231 VanDerWaalsContact O-N 3.14Å; A231-M234 PolarHBondContact O-N 2.94Å; A231-S235 WeakPolarHBondContact O-CB 3.28Å; A231-S235 PolarHBondContact O-N 2.88Å |
| 232 | A | 78 | Confident | 71.3 | Confident | 38 Ų | 38 | 103.9 Ų | 103.9 | 31% | 0.314 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | M228 S229 M234 S235 L236 | M228-A232 HydrophobicContact CB-CB 4.47Å; M228-A232 HydrophobicContact CE-CB 3.8Å; S229-A232 PolarHBondContact O-N 3.06Å; S229-A232 PolarHBondContact OG-N 3.16Å; A232-M234 VanDerWaalsContact C-N 3.32Å; A232-M234 PolarHBondContact O-N 2.86Å; A232-S235 PolarHBondContact O-N 2.85Å; A232-L236 WeakPolarHBondContact O-CB 3.38Å; A232-L236 PolarHBondContact O-N 3.29Å |
| 233 | K | 75.3 | Confident | 72.5 | Confident | 92 Ų | 92 | 102.7 Ų | 102.7 | 40% | 0.4 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.7 | -35.2 | 177.3 | -156.8 | 159.7 | -172.8 | 155.4 | 0 | 112 | R225 M228 S229 F237 | R225-K233 PolarHBondContact O-NZ 2.82Å; M228-K233 HydrophobicContact CB-CB 4.49Å; S229-K233 WeakPolarHBondContact O-CB 3.32Å; S229-K233 PolarHBondContact O-N 2.6Å; K233-F237 PolarHBondContact O-N 3.28Å |
| 234 | M | 76.2 | Confident | 72.1 | Confident | 115 Ų | 115 | 101 Ų | 101 | 57% | 0.567 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -74 | -38 | 171.9 | -69.6 | -84 | 79.4 | 0 | 0 | 113.1 | V230 A231 A232 F237 K238 | V230-M234 HydrophobicContact CG1-CG 4.38Å; V230-M234 WeakPolarHBondContact O-CB 3.41Å; V230-M234 WeakPolarHBondContact O-CG 3.32Å; V230-M234 PolarHBondContact O-N 3.36Å; A231-M234 PolarHBondContact O-N 2.94Å; A232-M234 VanDerWaalsContact C-N 3.32Å; A232-M234 PolarHBondContact O-N 2.86Å; M234-F237 HydrophobicContact CE-CB 4.32Å; M234-F237 PolarHBondContact O-N 2.88Å; M234-K238 WeakPolarHBondContact O-CB 3.44Å; M234-K238 PolarHBondContact O-N 3.21Å |
| 235 | S | 83.8 | Confident | 71.5 | Confident | 71 Ų | 71 | 99.3 Ų | 99.3 | 50% | 0.497 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 175.6 | -161.9 | 0 | 0 | 0 | 0 | 111.2 | A231 A232 F237 K238 E239 | A231-S235 WeakPolarHBondContact O-CB 3.28Å; A231-S235 PolarHBondContact O-N 2.88Å; A232-S235 PolarHBondContact O-N 2.85Å; S235-F237 VanDerWaalsContact C-N 3.32Å; S235-F237 PolarHBondContact O-N 3.17Å; S235-K238 CarbonylContact O-C 3.39Å; S235-K238 PolarHBondContact O-N 3.12Å; S235-K238 VanDerWaalsContact O-N 3.11Å; S235-E239 WeakPolarHBondContact O-CB 3.38Å; S235-E239 PolarHBondContact O-N 3.03Å |
| 236 | L | 79.8 | Confident | 71.3 | Confident | 58 Ų | 58 | 99.2 Ų | 99.2 | 30% | 0.304 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.5 | -34.9 | 177.7 | -170.9 | 149 | 0 | 0 | 0 | 112 | M228 A232 E239 L240 | M228-L236 HydrophobicContact CE-CB 4.28Å; M228-L236 HydrophobicContact CE-CD1 3.8Å; M228-L236 HydrophobicContact SD-CD1 4.11Å; A232-L236 WeakPolarHBondContact O-CB 3.38Å; A232-L236 PolarHBondContact O-N 3.29Å; L236-E239 PolarHBondContact O-N 2.89Å; L236-L240 HydrophobicContact CD2-CD1 3.67Å; L236-L240 HydrophobicContact CD2-CG 4.27Å; L236-L240 WeakPolarHBondContact O-CG 3.28Å; L236-L240 PolarHBondContact O-N 2.95Å |
| 237 | F | 75.3 | Confident | 70.7 | Confident | 117 Ų | 117 | 103 Ų | 103 | 51% | 0.513 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.5 | -46.7 | 169.8 | -120.9 | -87.6 | 0 | 0 | 0 | 112 | K233 M234 S235 E239 L240 E241 | K233-F237 PolarHBondContact O-N 3.28Å; M234-F237 HydrophobicContact CE-CB 4.32Å; M234-F237 PolarHBondContact O-N 2.88Å; S235-F237 VanDerWaalsContact C-N 3.32Å; S235-F237 PolarHBondContact O-N 3.17Å; F237-E239 PolarHBondContact O-N 3.09Å; F237-L240 PolarHBondContact O-N 3.43Å; F237-E241 WeakPolarHBondContact O-CG 3.41Å; F237-E241 PolarHBondContact O-N 3.11Å |
| 238 | K | 81.1 | Confident | 69.8 | Low | 141 Ų | 141 | 98 Ų | 98 | 61% | 0.613 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -71.3 | -10.4 | -179.3 | -156.1 | 173 | -170.1 | 175.2 | 0 | 113.9 | M234 S235 K242 | M234-K238 WeakPolarHBondContact O-CB 3.44Å; M234-K238 PolarHBondContact O-N 3.21Å; S235-K238 CarbonylContact O-C 3.39Å; S235-K238 PolarHBondContact O-N 3.12Å; S235-K238 VanDerWaalsContact O-N 3.11Å; K238-K242 WeakPolarHBondContact O-CD 3.45Å; K238-K242 WeakPolarHBondContact O-CG 3.27Å |
| 239 | E | 79.1 | Confident | 68.6 | Low | 122 Ų | 122 | 96.2 Ų | 96.2 | 57% | 0.57 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -97.8 | -36.6 | 174.8 | -168.8 | 156.1 | -133.7 | 0 | 0 | 111.3 | S235 L236 F237 K242 T243 | S235-E239 WeakPolarHBondContact O-CB 3.38Å; S235-E239 PolarHBondContact O-N 3.03Å; L236-E239 PolarHBondContact O-N 2.89Å; F237-E239 PolarHBondContact O-N 3.09Å; E239-K242 PolarHBondContact O-N 3.33Å; E239-K242 VanDerWaalsContact O-N 3.11Å; E239-T243 WeakPolarHBondContact O-CG2 3.45Å; E239-T243 PolarHBondContact O-N 2.93Å; E239-T243 PolarHBondContact O-OG1 2.93Å |
| 240 | L | 74.9 | Confident | 67 | Low | 89 Ų | 89 | 99.6 Ų | 99.6 | 47% | 0.466 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -60.7 | -42 | 166.1 | -73.6 | 170.7 | 0 | 0 | 0 | 111.9 | L236 F237 K242 T243 A244 | L236-L240 HydrophobicContact CD2-CD1 3.67Å; L236-L240 HydrophobicContact CD2-CG 4.27Å; L236-L240 WeakPolarHBondContact O-CG 3.28Å; L236-L240 PolarHBondContact O-N 2.95Å; F237-L240 PolarHBondContact O-N 3.43Å; L240-K242 PolarHBondContact O-N 3.03Å; L240-K242 VanDerWaalsContact O-N 3.17Å; L240-T243 WeakPolarHBondContact CA-OG1 3.45Å; L240-T243 PolarHBondContact O-N 3.34Å; L240-T243 VanDerWaalsContact O-N 3.14Å; L240-T243 PolarHBondContact O-OG1 3.38Å; L240-A244 PolarHBondContact O-N 3.22Å; L240-A244 VanDerWaalsContact O-N 3.13Å |
| 241 | E | 74.6 | Confident | 65.9 | Low | 150 Ų | 150 | 103.2 Ų | 103.2 | 70% | 0.701 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.3 | -22.4 | 173.1 | -75.8 | -175.1 | 141.2 | 0 | 0 | 113.7 | F237 | F237-E241 WeakPolarHBondContact O-CG 3.41Å; F237-E241 PolarHBondContact O-N 3.11Å |
| 242 | K | 77.1 | Confident | 63.8 | Low | 170 Ų | 170 | 106.8 Ų | 106.8 | 74% | 0.739 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -93.1 | -14.9 | 177.7 | -72.6 | 175.9 | 178.2 | -177.6 | 0 | 114.2 | K238 E239 L240 | K238-K242 WeakPolarHBondContact O-CD 3.45Å; K238-K242 WeakPolarHBondContact O-CG 3.27Å; E239-K242 PolarHBondContact O-N 3.33Å; E239-K242 VanDerWaalsContact O-N 3.11Å; L240-K242 PolarHBondContact O-N 3.03Å; L240-K242 VanDerWaalsContact O-N 3.17Å |
| 243 | T | 71.5 | Confident | 61.6 | Low | 100 Ų | 100 | 111.8 Ų | 111.8 | 61% | 0.613 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -115.1 | -9.9 | -170.8 | 48.6 | 0 | 0 | 0 | 0 | 113.8 | E239 L240 | E239-T243 WeakPolarHBondContact O-CG2 3.45Å; E239-T243 PolarHBondContact O-N 2.93Å; E239-T243 PolarHBondContact O-OG1 2.93Å; L240-T243 WeakPolarHBondContact CA-OG1 3.45Å; L240-T243 PolarHBondContact O-N 3.34Å; L240-T243 VanDerWaalsContact O-N 3.14Å; L240-T243 PolarHBondContact O-OG1 3.38Å |
| 244 | A | 50.3 | Low | 59.4 | Low | 72 Ų | 72 | 113.5 Ų | 113.5 | 60% | 0.595 | 60% | 0.599 | S | S | * | * | trans | -64 | 133.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L240 | L240-A244 PolarHBondContact O-N 3.22Å; L240-A244 VanDerWaalsContact O-N 3.13Å | ||
| 245 | S | 46.4 | Very low | 57.4 | Low | 63 Ų | 63 | 120 Ų | 120 | 44% | 0.441 | 62% | 0.617 | S | S | . | * | trans | -74.7 | 162.1 | -172.9 | 72.5 | 0 | 0 | 0 | 0 | 113.7 | E247 A248 S249 | S245-E247 PolarHBondContact O-N 3.07Å; S245-E247 VanDerWaalsContact O-N 3.15Å; S245-A248 PolarHBondContact O-N 3.25Å; S245-S249 PolarHBondContact O-N 3.23Å | ||
| 246 | P | 55.3 | Low | 55.1 | Low | 109 Ų | 109 | 122 Ų | 122 | 71% | 0.708 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | -31.5 | -178 | -27.5 | 36.5 | 0 | 0 | 0 | 114.5 | S249 | P246-S249 PolarHBondContact O-N 3.41Å; P246-S249 PolarHBondContact O-OG 3.33Å |
| 247 | E | 50 | Low | 52.7 | Low | 163 Ų | 163 | 124 Ų | 124 | 76% | 0.762 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -36.8 | -175.9 | -62.1 | 179.9 | 141.3 | 0 | 0 | 112.5 | S245 S249 L250 | S245-E247 PolarHBondContact O-N 3.07Å; S245-E247 VanDerWaalsContact O-N 3.15Å; E247-S249 PolarHBondContact O-N 2.98Å; E247-L250 PolarHBondContact O-N 2.91Å |
| 248 | A | 45.4 | Very low | 50.6 | Low | 54 Ų | 54 | 128 Ų | 128 | 45% | 0.446 | 67% | 0.667 | S | S | . | * | G | 310 helix | trans | -59.9 | -27.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112 | S245 L250 F251 | S245-A248 PolarHBondContact O-N 3.25Å; A248-L250 PolarHBondContact O-N 3.2Å; A248-L250 VanDerWaalsContact O-N 3.16Å; A248-F251 PolarHBondContact O-N 2.85Å |
| 249 | S | 42 | Very low | 48.4 | Very low | 24 Ų | 24 | 126.1 Ų | 126.1 | 17% | 0.168 | 67% | 0.672 | C | S | . | * | G | 310 helix | trans | -73.6 | 4.4 | 178.8 | 82.8 | 0 | 0 | 0 | 0 | 115.3 | S245 P246 E247 K253 | S245-S249 PolarHBondContact O-N 3.23Å; P246-S249 PolarHBondContact O-N 3.41Å; P246-S249 PolarHBondContact O-OG 3.33Å; E247-S249 PolarHBondContact O-N 2.98Å; S249-K253 WeakPolarHBondContact O-CB 3.29Å; S249-K253 VanDerWaalsContact O-CD 3.31Å; S249-K253 WeakPolarHBondContact O-CD 3.26Å; S249-K253 VanDerWaalsContact O-CG 3.27Å; S249-K253 WeakPolarHBondContact O-CG 3.42Å; S249-K253 PolarHBondContact OG-NZ 2.91Å |
| 250 | L | 42.2 | Very low | 46 | Very low | 146 Ų | 146 | 130.2 Ų | 130.2 | 76% | 0.764 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -83.7 | -27.3 | 168.6 | -76.1 | 173 | 0 | 0 | 0 | 113.6 | E247 A248 | E247-L250 PolarHBondContact O-N 2.91Å; A248-L250 PolarHBondContact O-N 3.2Å; A248-L250 VanDerWaalsContact O-N 3.16Å |
| 251 | F | 45.3 | Very low | 44 | Very low | 197 Ų | 197 | 132.4 Ų | 132.4 | 86% | 0.864 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -12 | 170.9 | -81.1 | -87.2 | 0 | 0 | 0 | 113 | A248 | A248-F251 PolarHBondContact O-N 2.85Š|
| 252 | L | 35.3 | Very low | 42 | Very low | 151 Ų | 151 | 133 Ų | 133 | 79% | 0.791 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -132.8 | 58.7 | -177.1 | -66.1 | 175.2 | 0 | 0 | 0 | 112.2 | ||
| 253 | K | 32.7 | Very low | 39.9 | Very low | 143 Ų | 143 | 137.2 Ų | 137.2 | 62% | 0.622 | 71% | 0.71 | S | S | * | * | trans | -134.1 | 134.3 | 166.9 | -95.1 | 174.3 | -177.1 | 147.3 | 0 | 112.4 | S249 R255 | S249-K253 WeakPolarHBondContact O-CB 3.29Å; S249-K253 VanDerWaalsContact O-CD 3.31Å; S249-K253 WeakPolarHBondContact O-CD 3.26Å; S249-K253 VanDerWaalsContact O-CG 3.27Å; S249-K253 WeakPolarHBondContact O-CG 3.42Å; S249-K253 PolarHBondContact OG-NZ 2.91Å; K253-R255 PolarHBondContact O-N 3.03Å | ||
| 254 | P | 28.5 | Very low | 38 | Very low | 129 Ų | 129 | 140.7 Ų | 140.7 | 84% | 0.838 | 71% | 0.712 | S | S | * | * | trans | -77.1 | 114.4 | -175.2 | 30.3 | -34.1 | 0 | 0 | 0 | 111.5 | ||||
| 255 | R | 34.4 | Very low | 37 | Very low | 252 Ų | 252 | 142 Ų | 142 | 95% | 0.951 | 72% | 0.717 | S | S | * | * | trans | -85.5 | 127.5 | 161.7 | -73.5 | -168.8 | 174.1 | -163 | -1 | 109.5 | K253 | K253-R255 PolarHBondContact O-N 3.03Š| ||
| 256 | S | 34.9 | Very low | 36.6 | Very low | 113 Ų | 113 | 150.6 Ų | 150.6 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | trans | -90.8 | 171.8 | -173.7 | 55.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 257 | S | 31 | Very low | 35.5 | Very low | 100 Ų | 100 | 156.8 Ų | 156.8 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | trans | 71 | 74.6 | 155.1 | -161.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 258 | K | 30.7 | Very low | 34.6 | Very low | 199 Ų | 199 | 155 Ų | 155 | 87% | 0.865 | 74% | 0.744 | S | S | * | * | S | Bend | 157.1 | 80 | 114.6 | -82.6 | 173.2 | 179.6 | -179.2 | 0 | 114.8 | |||
| 259 | S | 34.3 | Very low | 34 | Very low | 102 Ų | 102 | 160.2 Ų | 160.2 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | trans | -177.3 | 83 | 151.3 | 45.5 | 0 | 0 | 0 | 0 | 112 | H261 | S259-H261 PolarHBondContact O-N 2.99Š| ||
| 260 | F | 29.9 | Very low | 33.7 | Very low | 209 Ų | 209 | 165.8 Ų | 165.8 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | trans | -82.1 | 28.9 | -173.6 | -116.5 | -89 | 0 | 0 | 0 | 114.8 | ||||
| 261 | H | 31 | Very low | 33.7 | Very low | 135 Ų | 135 | 165 Ų | 165 | 63% | 0.625 | 80% | 0.796 | S | S | * | * | trans | -115.6 | -34.4 | -162.2 | -83.6 | -96.6 | 0 | 0 | 0 | 117.1 | S259 R263 R264 | S259-H261 PolarHBondContact O-N 2.99Å; H261-R263 VanDerWaalsContact C-N 3.26Å; H261-R263 PolarHBondContact O-N 3.32Å; H261-R263 VanDerWaalsContact O-N 3.07Å; H261-R264 PolarHBondContact O-N 3.04Å | ||
| 262 | E | 32.8 | Very low | 33.2 | Very low | 161 Ų | 161 | 166.6 Ų | 166.6 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | -35.9 | -171.8 | -132.2 | 60.1 | -132.6 | 0 | 0 | 114.9 | R264 | E262-R264 VanDerWaalsContact C-N 3.27Å; E262-R264 PolarHBondContact O-N 3.3Å |
| 263 | R | 32.9 | Very low | 33.2 | Very low | 259 Ų | 259 | 163.3 Ų | 163.3 | 98% | 0.977 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | 18 | -177.9 | -61.3 | -170.4 | -175.7 | -173.1 | 1.8 | 113.9 | H261 | H261-R263 VanDerWaalsContact C-N 3.26Å; H261-R263 PolarHBondContact O-N 3.32Å; H261-R263 VanDerWaalsContact O-N 3.07Å |
| 264 | R | 32.6 | Very low | 33.7 | Very low | 174 Ų | 174 | 164.7 Ų | 164.7 | 66% | 0.657 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | -20.9 | 175.2 | -141.4 | 170.1 | -170.9 | 160 | 0.5 | 113.8 | H261 E262 R266 | H261-R264 PolarHBondContact O-N 3.04Å; E262-R264 VanDerWaalsContact C-N 3.27Å; E262-R264 PolarHBondContact O-N 3.3Å; R264-R266 VanDerWaalsContact C-N 3.28Å; R264-R266 PolarHBondContact O-N 3.47Å |
| 265 | S | 29.7 | Very low | 33.9 | Very low | 100 Ų | 100 | 164.7 Ų | 164.7 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | 21.2 | -179.1 | -55.7 | 0 | 0 | 0 | 0 | 115.5 | ||
| 266 | R | 37.1 | Very low | 34.4 | Very low | 242 Ų | 242 | 160.4 Ų | 160.4 | 91% | 0.913 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125 | 18.6 | 173.7 | -69.6 | -169 | 175.8 | -173.4 | -2.5 | 114.3 | R264 | R264-R266 VanDerWaalsContact C-N 3.28Å; R264-R266 PolarHBondContact O-N 3.47Å |
| 267 | R | 33.5 | Very low | 35.1 | Very low | 240 Ų | 240 | 160.3 Ų | 160.3 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -149.9 | 35.2 | 170.2 | -76.9 | -161 | 169.8 | 172.1 | -3.1 | 112.2 | ||
| 268 | N | 30 | Very low | 35.8 | Very low | 125 Ų | 125 | 161.7 Ų | 161.7 | 67% | 0.668 | 79% | 0.788 | S | S | * | * | trans | -145.8 | 35.4 | -171.7 | -132.2 | 93.2 | 0 | 0 | 0 | 113.1 | ||||
| 269 | N | 33.7 | Very low | 36.7 | Very low | 164 Ų | 164 | 156 Ų | 156 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | trans | -130.6 | 71.5 | 163.6 | -93 | 7.4 | 0 | 0 | 0 | 107.7 | ||||
| 270 | D | 34.8 | Very low | 37.4 | Very low | 141 Ų | 141 | 158.6 Ų | 158.6 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | trans | -110.8 | 107.2 | 166.2 | -103.3 | -16.8 | 0 | 0 | 0 | 105.5 | R272 | D270-R272 HydrophobicContact CB-CB 4.37Å; D270-R272 PolarHBondContact O-N 2.88Å | ||
| 271 | P | 42.6 | Very low | 38.6 | Very low | 130 Ų | 130 | 155 Ų | 155 | 84% | 0.844 | 75% | 0.754 | S | S | * | * | trans | -75.5 | 55.2 | 171 | 32.4 | -34.5 | 0 | 0 | 0 | 110.3 | A273 | P271-A273 PolarHBondContact O-N 2.76Š| ||
| 272 | R | 34.1 | Very low | 39.7 | Very low | 229 Ų | 229 | 155.1 Ų | 155.1 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | trans | -83.4 | 49.3 | -175.9 | -159.4 | -171.8 | -178 | 150 | 7.1 | 112.4 | D270 | D270-R272 HydrophobicContact CB-CB 4.37Å; D270-R272 PolarHBondContact O-N 2.88Å | ||
| 273 | A | 36.5 | Very low | 40.8 | Very low | 82 Ų | 82 | 152.4 Ų | 152.4 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | trans | -163.4 | 103.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | P271 | P271-A273 PolarHBondContact O-N 2.76Š| ||
| 274 | L | 41.8 | Very low | 41.6 | Very low | 173 Ų | 173 | 145.9 Ų | 145.9 | 91% | 0.906 | 73% | 0.732 | S | S | * | * | -169 | 91.9 | 119.6 | -101.6 | 165.2 | 0 | 0 | 0 | 109.7 | Q276 | L274-Q276 PolarHBondContact O-N 2.6Š| |||
| 275 | T | 33.3 | Very low | 42.4 | Very low | 129 Ų | 129 | 145 Ų | 145 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | trans | -89.8 | 87.4 | 171.9 | 47.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 276 | Q | 45.3 | Very low | 43.1 | Very low | 161 Ų | 161 | 144.8 Ų | 144.8 | 75% | 0.752 | 74% | 0.741 | S | S | * | * | trans | -167.6 | 129.7 | 143.5 | -79.4 | -38 | -58.5 | 0 | 0 | 107.3 | L274 | L274-Q276 PolarHBondContact O-N 2.6Š| ||
| 277 | P | 50 | Low | 43.4 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -77 | 125.4 | 165.5 | 31.4 | -29.8 | 0 | 0 | 0 | 109.4 | ||
| 278 | I | 44.9 | Very low | 43.6 | Very low | 128 Ų | 128 | 131.5 Ų | 131.5 | 66% | 0.656 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 133.3 | 164.1 | -70.9 | 170.4 | 0 | 0 | 0 | 107.4 | E282 | I278-E282 HydrophobicContact CG2-CB 4.24Š|
| 279 | T | 50.9 | Low | 44.3 | Very low | 79 Ų | 79 | 131.5 Ų | 131.5 | 49% | 0.485 | 73% | 0.734 | S | S | . | * | P | Polyproline II helix | trans | -79.4 | 154 | 178.9 | 51 | 0 | 0 | 0 | 0 | 110.9 | E281 E282 | T279-E281 PolarHBondContact O-N 2.8Å; T279-E281 VanDerWaalsContact O-N 3.12Å; T279-E282 PolarHBondContact O-N 2.87Å |
| 280 | F | 47.7 | Very low | 44.5 | Very low | 158 Ų | 158 | 133 Ų | 133 | 69% | 0.693 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -56 | -31.4 | 179.7 | -152.5 | -103.6 | 0 | 0 | 0 | 112.2 | T283 | F280-T283 PolarHBondContact O-N 3.24Å |
| 281 | E | 54.9 | Low | 44.5 | Very low | 132 Ų | 132 | 132.3 Ų | 132.3 | 62% | 0.617 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -60.5 | -42.3 | -178.5 | -164.9 | 168.4 | -161.4 | 0 | 0 | 114.2 | T279 T283 M284 M285 | T279-E281 PolarHBondContact O-N 2.8Å; T279-E281 VanDerWaalsContact O-N 3.12Å; E281-T283 PolarHBondContact O-N 3.24Å; E281-M284 PolarHBondContact O-N 3.11Å; E281-M285 HydrophobicContact CG-CE 4.14Å |
| 282 | E | 55.5 | Low | 44.1 | Very low | 138 Ų | 138 | 129.5 Ų | 129.5 | 65% | 0.645 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -65.6 | -23.9 | 177.2 | -74.7 | -167.9 | 121.4 | 0 | 0 | 112.7 | I278 T279 | I278-E282 HydrophobicContact CG2-CB 4.24Å; T279-E282 PolarHBondContact O-N 2.87Å |
| 283 | T | 54.4 | Low | 44.2 | Very low | 104 Ų | 104 | 128.2 Ų | 128.2 | 64% | 0.638 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -81.4 | -22 | -176.7 | -40.1 | 0 | 0 | 0 | 0 | 112 | F280 E281 | F280-T283 PolarHBondContact O-N 3.24Å; E281-T283 PolarHBondContact O-N 3.24Å |
| 284 | M | 51 | Low | 44 | Very low | 123 Ų | 123 | 129.1 Ų | 129.1 | 61% | 0.606 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -92.2 | -18.9 | -171.9 | -137.5 | 168.3 | 82.2 | 0 | 0 | 114 | E281 A286 | E281-M284 PolarHBondContact O-N 3.11Å; M284-A286 VanDerWaalsContact C-N 3.35Å; M284-A286 PolarHBondContact O-N 3.3Å |
| 285 | M | 48.4 | Very low | 43.8 | Very low | 156 Ų | 156 | 124.7 Ų | 124.7 | 77% | 0.768 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -7.5 | -178.1 | -61.8 | -167.5 | -175.9 | 0 | 0 | 114.7 | E281 | E281-M285 HydrophobicContact CG-CE 4.14Š|
| 286 | A | 43.9 | Very low | 43.8 | Very low | 94 Ų | 94 | 128.1 Ų | 128.1 | 78% | 0.777 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | 5.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | M284 | M284-A286 VanDerWaalsContact C-N 3.35Å; M284-A286 PolarHBondContact O-N 3.3Å |
| 287 | A | 43.6 | Very low | 43.4 | Very low | 82 Ų | 82 | 125.4 Ų | 125.4 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | trans | -134.2 | 62.2 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 288 | S | 39.3 | Very low | 42.5 | Very low | 121 Ų | 121 | 128 Ų | 128 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | trans | -156.6 | 111.2 | 168.5 | -82 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 289 | P | 43.6 | Very low | 42.2 | Very low | 126 Ų | 126 | 127.1 Ų | 127.1 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | -106.2 | 135.5 | 165.8 | 34.7 | -25.9 | 0 | 0 | 0 | 112 | ||||
| 290 | Q | 37.2 | Very low | 41.3 | Very low | 194 Ų | 194 | 131.7 Ų | 131.7 | 91% | 0.907 | 77% | 0.774 | S | S | * | * | trans | -118.6 | 157.2 | 164.1 | -77.9 | -153.5 | -5.7 | 0 | 0 | 111.4 | ||||
| 291 | P | 35.6 | Very low | 41 | Very low | 128 Ų | 128 | 131.4 Ų | 131.4 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | trans | -109.1 | 162.8 | -157.9 | 40.2 | -33.8 | 0 | 0 | 0 | 115.3 | ||||
| 292 | G | 34.7 | Very low | 40.2 | Very low | 70 Ų | 70 | 134.2 Ų | 134.2 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | trans | 174.8 | 117.1 | 163 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 293 | E | 35.2 | Very low | 39.2 | Very low | 202 Ų | 202 | 135 Ų | 135 | 94% | 0.944 | 81% | 0.808 | S | S | * | * | trans | 46.1 | 152.6 | 142.3 | -57.9 | 179.8 | 178.4 | 0 | 0 | 121.8 | ||||
| 294 | A | 33.9 | Very low | 38.5 | Very low | 101 Ų | 101 | 137.6 Ų | 137.6 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | cis | -171.8 | 151.2 | -26.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 295 | G | 36.6 | Very low | 37.8 | Very low | 81 Ų | 81 | 136.3 Ų | 136.3 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | trans | 156.6 | 147.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 296 | E | 32.9 | Very low | 37.9 | Very low | 200 Ų | 200 | 131.3 Ų | 131.3 | 94% | 0.935 | 82% | 0.815 | S | S | * | * | trans | -116.9 | 143 | -166.5 | -55.6 | 164.9 | 118 | 0 | 0 | 113.4 | ||||
| 297 | A | 37.5 | Very low | 38.3 | Very low | 105 Ų | 105 | 133.2 Ų | 133.2 | 87% | 0.868 | 82% | 0.817 | S | S | * | * | trans | 166.7 | 128.4 | 131.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 298 | E | 30.9 | Very low | 38.7 | Very low | 166 Ų | 166 | 138.9 Ų | 138.9 | 78% | 0.776 | 83% | 0.826 | S | S | * | * | trans | -63.9 | 162.2 | 169.6 | -77.4 | -62.2 | 136.5 | 0 | 0 | 113.4 | E300 | E298-E300 PolarHBondContact OE2-N 2.93Š| ||
| 299 | P | 37.7 | Very low | 40.1 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 71% | 0.714 | 80% | 0.803 | S | S | * | * | cis | -147.3 | 158.7 | 39.1 | 41.7 | -21.1 | 0 | 0 | 0 | 121.5 | ||||
| 300 | E | 33.7 | Very low | 41.6 | Very low | 174 Ų | 174 | 133 Ų | 133 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | 48.7 | 95 | 142.3 | -65.7 | -174.6 | 166.4 | 0 | 0 | 120.4 | E298 | E298-E300 PolarHBondContact OE2-N 2.93Š| ||
| 301 | V | 40.3 | Very low | 42.9 | Very low | 152 Ų | 152 | 130.9 Ų | 130.9 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | trans | -142.5 | 145.6 | 143.2 | -175.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 302 | E | 38.7 | Very low | 44.6 | Very low | 191 Ų | 191 | 128.7 Ų | 128.7 | 89% | 0.893 | 76% | 0.762 | S | S | * | * | trans | -71.6 | 161.8 | -174.5 | -66.6 | 175.9 | 108.5 | 0 | 0 | 115.5 | ||||
| 303 | D | 35.1 | Very low | 46.8 | Very low | 156 Ų | 156 | 129.7 Ų | 129.7 | 83% | 0.834 | 75% | 0.748 | S | S | * | * | trans | -61.4 | 152.6 | -176.3 | -76.1 | -69.6 | 0 | 0 | 0 | 116.3 | ||||
| 304 | D | 38.5 | Very low | 48.7 | Very low | 157 Ų | 157 | 125.8 Ų | 125.8 | 84% | 0.84 | 73% | 0.728 | S | S | * | * | trans | -142.6 | 80.8 | 153.4 | -156.4 | -6.9 | 0 | 0 | 0 | 111.9 | G306 | D304-G306 VanDerWaalsContact C-N 3.28Å; D304-G306 PolarHBondContact O-N 3.22Å | ||
| 305 | A | 36.9 | Very low | 50.6 | Low | 97 Ų | 97 | 126 Ų | 126 | 80% | 0.802 | 72% | 0.715 | S | S | * | * | trans | -80.3 | 52.1 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | T307 | A305-T307 PolarHBondContact O-N 3.17Š| ||
| 306 | G | 49.7 | Very low | 52.6 | Low | 51 Ų | 51 | 124.9 Ų | 124.9 | 53% | 0.526 | 70% | 0.697 | S | S | . | * | trans | -76.9 | -9.4 | -167.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | D304 | D304-G306 VanDerWaalsContact C-N 3.28Å; D304-G306 PolarHBondContact O-N 3.22Å | ||
| 307 | T | 52.2 | Low | 54.7 | Low | 133 Ų | 133 | 118.8 Ų | 118.8 | 82% | 0.816 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -111.5 | 9.9 | -152.7 | -30.1 | 0 | 0 | 0 | 0 | 116.7 | A305 | A305-T307 PolarHBondContact O-N 3.17Š|
| 308 | K | 53.1 | Low | 56.3 | Low | 201 Ų | 201 | 120.7 Ų | 120.7 | 87% | 0.874 | 66% | 0.659 | S | S | * | * | trans | -127.4 | 53.8 | -179.1 | -78.2 | -169.8 | 174.2 | -179.8 | 0 | 114.6 | ||||
| 309 | L | 68.2 | Low | 58.4 | Low | 69 Ų | 69 | 117.4 Ų | 117.4 | 36% | 0.361 | 65% | 0.647 | S | S | . | * | trans | -118.7 | 126.6 | 171.8 | -67.5 | 162.6 | 0 | 0 | 0 | 110.6 | E313 K314 L317 | L309-E313 HydrophobicContact CB-CB 4.26Å; L309-E313 HydrophobicContact CD2-CB 3.96Å; L309-K314 HydrophobicContact CB-CG 4.12Å; L309-K314 WeakPolarHBondContact O-CE 3.33Å; L309-K314 PolarHBondContact O-NZ 3.07Å; L309-L317 HydrophobicContact CD1-CD1 3.61Å; L309-L317 HydrophobicContact CD2-CD1 4.46Å | ||
| 310 | S | 75.3 | Confident | 60.1 | Low | 54 Ų | 54 | 119.6 Ų | 119.6 | 38% | 0.378 | 65% | 0.646 | S | S | . | * | trans | -70.3 | 174.3 | 178.6 | 68.5 | 0 | 0 | 0 | 0 | 112.8 | S312 E313 K314 | S310-S312 PolarHBondContact O-N 2.88Å; S310-S312 PolarHBondContact OG-OG 3.19Å; S310-E313 WeakPolarHBondContact CB-OE2 3.49Å; S310-E313 PolarHBondContact N-OE2 2.93Å; S310-E313 PolarHBondContact O-N 3.42Å; S310-E313 WeakPolarHBondContact OG-CG 3.39Å; S310-E313 PolarHBondContact OG-OE2 3.33Å; S310-K314 WeakPolarHBondContact O-CB 3.43Å; S310-K314 WeakPolarHBondContact O-CG 3.4Å; S310-K314 PolarHBondContact O-N 2.85Å | ||
| 311 | M | 64 | Low | 61.9 | Low | 150 Ų | 150 | 117.7 Ų | 117.7 | 74% | 0.739 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -62.5 | -41.1 | -178 | -154.3 | 69.5 | 70.5 | 0 | 0 | 112.3 | K314 L315 | M311-K314 PolarHBondContact O-N 3.44Å; M311-L315 WeakPolarHBondContact O-CG 3.2Å; M311-L315 PolarHBondContact O-N 3.34Å |
| 312 | S | 72.3 | Confident | 63 | Low | 83 Ų | 83 | 114.1 Ų | 114.1 | 58% | 0.58 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -69.2 | -38.1 | 177.5 | 49 | 0 | 0 | 0 | 0 | 111.9 | S310 L315 A316 | S310-S312 PolarHBondContact O-N 2.88Å; S310-S312 PolarHBondContact OG-OG 3.19Å; S312-L315 PolarHBondContact O-N 2.62Å; S312-A316 VanDerWaalsContact O-CB 3.28Å; S312-A316 WeakPolarHBondContact O-CB 3.38Å; S312-A316 PolarHBondContact O-N 3.34Å |
| 313 | E | 79.8 | Confident | 63.5 | Low | 91 Ų | 91 | 111.6 Ų | 111.6 | 43% | 0.425 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -68.7 | -37.3 | 175.8 | -68.3 | 166.6 | 116.5 | 0 | 0 | 112.3 | L309 S310 A316 L317 | L309-E313 HydrophobicContact CB-CB 4.26Å; L309-E313 HydrophobicContact CD2-CB 3.96Å; S310-E313 WeakPolarHBondContact CB-OE2 3.49Å; S310-E313 PolarHBondContact N-OE2 2.93Å; S310-E313 PolarHBondContact O-N 3.42Å; S310-E313 WeakPolarHBondContact OG-CG 3.39Å; S310-E313 PolarHBondContact OG-OE2 3.33Å; E313-A316 PolarHBondContact O-N 2.96Å; E313-L317 WeakPolarHBondContact O-CB 3.49Å; E313-L317 PolarHBondContact O-N 3.47Å |
| 314 | K | 76.4 | Confident | 64.2 | Low | 120 Ų | 120 | 110.1 Ų | 110.1 | 52% | 0.522 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -66 | -40.8 | 173.1 | -76 | 173.2 | 176 | 165.8 | 0 | 112.2 | L309 S310 M311 L317 F318 | L309-K314 HydrophobicContact CB-CG 4.12Å; L309-K314 WeakPolarHBondContact O-CE 3.33Å; L309-K314 PolarHBondContact O-NZ 3.07Å; S310-K314 WeakPolarHBondContact O-CB 3.43Å; S310-K314 WeakPolarHBondContact O-CG 3.4Å; S310-K314 PolarHBondContact O-N 2.85Å; M311-K314 PolarHBondContact O-N 3.44Å; K314-L317 PolarHBondContact O-N 3.5Å; K314-F318 WeakPolarHBondContact O-CB 3.25Å; K314-F318 PolarHBondContact O-N 3.48Å |
| 315 | L | 73.6 | Confident | 64.5 | Low | 106 Ų | 106 | 109.7 Ų | 109.7 | 56% | 0.555 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.5 | -38.2 | 173.1 | -72 | 169.6 | 0 | 0 | 0 | 112.1 | M311 S312 F318 N319 | M311-L315 WeakPolarHBondContact O-CG 3.2Å; M311-L315 PolarHBondContact O-N 3.34Å; S312-L315 PolarHBondContact O-N 2.62Å; L315-F318 PolarHBondContact O-N 2.8Å; L315-N319 WeakPolarHBondContact O-CB 3.47Å; L315-N319 PolarHBondContact O-N 3.13Å |
| 316 | A | 78.6 | Confident | 64.4 | Low | 57 Ų | 57 | 112.8 Ų | 112.8 | 47% | 0.471 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64.1 | -42.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S312 E313 N319 K320 | S312-A316 VanDerWaalsContact O-CB 3.28Å; S312-A316 WeakPolarHBondContact O-CB 3.38Å; S312-A316 PolarHBondContact O-N 3.34Å; E313-A316 PolarHBondContact O-N 2.96Å; A316-N319 PolarHBondContact O-N 3.07Å; A316-K320 WeakPolarHBondContact O-CB 3.21Å; A316-K320 PolarHBondContact O-N 3.4Å |
| 317 | L | 76.3 | Confident | 63.7 | Low | 72 Ų | 72 | 114.2 Ų | 114.2 | 38% | 0.377 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -63.8 | -42.7 | 173.4 | -89.8 | 161.4 | 0 | 0 | 0 | 112.2 | L309 E313 K314 N319 K320 L321 | L309-L317 HydrophobicContact CD1-CD1 3.61Å; L309-L317 HydrophobicContact CD2-CD1 4.46Å; E313-L317 WeakPolarHBondContact O-CB 3.49Å; E313-L317 PolarHBondContact O-N 3.47Å; K314-L317 PolarHBondContact O-N 3.5Å; L317-N319 PolarHBondContact O-N 3.15Å; L317-K320 CarbonylContact O-C 3.43Å; L317-K320 PolarHBondContact O-N 3.01Å; L317-K320 VanDerWaalsContact O-N 3.1Å; L317-L321 WeakPolarHBondContact O-CB 3.39Å; L317-L321 VanDerWaalsContact O-CG 3.31Å; L317-L321 WeakPolarHBondContact O-CG 3.48Å; L317-L321 PolarHBondContact O-N 3.17Å |
| 318 | F | 70.8 | Confident | 63 | Low | 144 Ų | 144 | 112.3 Ų | 112.3 | 63% | 0.632 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -59.8 | -45.2 | 175.3 | -171.8 | -99.2 | 0 | 0 | 0 | 111.7 | K314 L315 K320 L321 S322 | K314-F318 WeakPolarHBondContact O-CB 3.25Å; K314-F318 PolarHBondContact O-N 3.48Å; L315-F318 PolarHBondContact O-N 2.8Å; F318-K320 VanDerWaalsContact C-N 3.25Å; F318-K320 PolarHBondContact O-N 2.79Å; F318-L321 PolarHBondContact O-N 2.95Å; F318-S322 WeakPolarHBondContact O-CB 3.46Å; F318-S322 PolarHBondContact O-N 3.07Å; F318-S322 PolarHBondContact O-OG 3.46Å |
| 319 | N | 74.1 | Confident | 62.2 | Low | 98 Ų | 98 | 110.3 Ų | 110.3 | 52% | 0.524 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -70.5 | -16.8 | 175.6 | -73.1 | -20.3 | 0 | 0 | 0 | 114.4 | L315 A316 L317 S322 | L315-N319 WeakPolarHBondContact O-CB 3.47Å; L315-N319 PolarHBondContact O-N 3.13Å; A316-N319 PolarHBondContact O-N 3.07Å; L317-N319 PolarHBondContact O-N 3.15Å; N319-S322 WeakPolarHBondContact CA-OG 3.33Å; N319-S322 PolarHBondContact O-OG 3.18Å |
| 320 | K | 73.8 | Confident | 60.7 | Low | 156 Ų | 156 | 110.4 Ų | 110.4 | 68% | 0.678 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -92.4 | -25 | 175.9 | -164.2 | 175.2 | -174.3 | -177.6 | 0 | 112.3 | A316 L317 F318 | A316-K320 WeakPolarHBondContact O-CB 3.21Å; A316-K320 PolarHBondContact O-N 3.4Å; L317-K320 CarbonylContact O-C 3.43Å; L317-K320 PolarHBondContact O-N 3.01Å; L317-K320 VanDerWaalsContact O-N 3.1Å; F318-K320 VanDerWaalsContact C-N 3.25Å; F318-K320 PolarHBondContact O-N 2.79Å |
| 321 | L | 71.9 | Confident | 59 | Low | 133 Ų | 133 | 113.9 Ų | 113.9 | 70% | 0.696 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -88.3 | -19.9 | 173.8 | -71.7 | 167 | 0 | 0 | 0 | 113 | L317 F318 Q323 | L317-L321 WeakPolarHBondContact O-CB 3.39Å; L317-L321 VanDerWaalsContact O-CG 3.31Å; L317-L321 WeakPolarHBondContact O-CG 3.48Å; L317-L321 PolarHBondContact O-N 3.17Å; F318-L321 PolarHBondContact O-N 2.95Å; L321-Q323 VanDerWaalsContact C-N 3.27Å; L321-Q323 PolarHBondContact O-N 3.12Å |
| 322 | S | 63 | Low | 57.8 | Low | 77 Ų | 77 | 112 Ų | 112 | 54% | 0.538 | 67% | 0.666 | S | S | . | * | S | Bend | trans | -81.1 | -0 | 176.4 | 64.2 | 0 | 0 | 0 | 0 | 114.5 | F318 N319 | F318-S322 WeakPolarHBondContact O-CB 3.46Å; F318-S322 PolarHBondContact O-N 3.07Å; F318-S322 PolarHBondContact O-OG 3.46Å; N319-S322 WeakPolarHBondContact CA-OG 3.33Å; N319-S322 PolarHBondContact O-OG 3.18Å |
| 323 | Q | 50.7 | Low | 56.1 | Low | 139 Ų | 139 | 113.8 Ų | 113.8 | 65% | 0.65 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -95.9 | 135.8 | 172.7 | -62.8 | -168.5 | 20.2 | 0 | 0 | 111 | L321 I325 | L321-Q323 VanDerWaalsContact C-N 3.27Å; L321-Q323 PolarHBondContact O-N 3.12Å; Q323-I325 PolarHBondContact O-N 3.1Å; Q323-I325 VanDerWaalsContact O-N 3.15Å |
| 324 | P | 48.5 | Very low | 54 | Low | 124 Ų | 124 | 119.4 Ų | 119.4 | 81% | 0.805 | 69% | 0.69 | S | S | * | * | trans | -67.3 | 112.3 | -179 | -19.9 | 32.5 | 0 | 0 | 0 | 112.6 | ||||
| 325 | I | 44.4 | Very low | 52.1 | Low | 148 Ų | 148 | 119.6 Ų | 119.6 | 76% | 0.759 | 70% | 0.697 | S | S | * | * | trans | -87.3 | 110.8 | 169.9 | -59 | 176.3 | 0 | 0 | 0 | 108.6 | Q323 | Q323-I325 PolarHBondContact O-N 3.1Å; Q323-I325 VanDerWaalsContact O-N 3.15Å | ||
| 326 | L | 35.5 | Very low | 50.3 | Low | 162 Ų | 162 | 118.6 Ų | 118.6 | 85% | 0.848 | 71% | 0.712 | S | S | * | * | trans | -131.5 | 117.5 | 171 | -73.3 | 176.4 | 0 | 0 | 0 | 110.2 | ||||
| 327 | G | 35.9 | Very low | 48.2 | Very low | 82 Ų | 82 | 121.7 Ų | 121.7 | 85% | 0.845 | 73% | 0.73 | S | S | * | * | trans | 163.3 | 72.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 328 | A | 37.4 | Very low | 46.5 | Very low | 93 Ų | 93 | 123.6 Ų | 123.6 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | trans | -172.9 | 100.9 | 153.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 329 | V | 36.7 | Very low | 44.9 | Very low | 158 Ų | 158 | 124.7 Ų | 124.7 | 96% | 0.958 | 75% | 0.753 | S | S | * | * | 66.6 | 115 | 104.4 | 175.8 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 330 | G | 36 | Very low | 43.1 | Very low | 72 Ų | 72 | 127.6 Ų | 127.6 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | trans | -161 | -31.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 331 | S | 39.5 | Very low | 41.4 | Very low | 126 Ų | 126 | 124.7 Ų | 124.7 | 88% | 0.881 | 77% | 0.769 | S | S | * | * | trans | 68.5 | 166.7 | 178.1 | -96.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 332 | P | 38.7 | Very low | 39.8 | Very low | 112 Ų | 112 | 123.1 Ų | 123.1 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | -131.8 | -170.4 | -138.6 | 40.4 | -22.2 | 0 | 0 | 0 | 116.1 | ||||
| 333 | V | 36.9 | Very low | 38.7 | Very low | 119 Ų | 119 | 128.9 Ų | 128.9 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | trans | 152.5 | 114.3 | 134.3 | 160.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 334 | R | 35.9 | Very low | 38.1 | Very low | 210 Ų | 210 | 132.6 Ų | 132.6 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | trans | 56.2 | 159.3 | 142 | -60.8 | 179.9 | 75.6 | 176.2 | 1 | 119.8 | ||||
| 335 | D | 36.1 | Very low | 37.5 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 66% | 0.663 | 79% | 0.79 | S | S | * | * | cis | -161.3 | 162.6 | -11.9 | -105.4 | -0.5 | 0 | 0 | 0 | 107.7 | ||||
| 336 | G | 34.9 | Very low | 37.3 | Very low | 84 Ų | 84 | 138.6 Ų | 138.6 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | trans | 121.8 | 134.2 | 157.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 337 | S | 36.2 | Very low | 37.6 | Very low | 123 Ų | 123 | 139.7 Ų | 139.7 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | -141.7 | -166.5 | -170.1 | 73.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 338 | P | 40.3 | Very low | 37.8 | Very low | 111 Ų | 111 | 146.3 Ų | 146.3 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | -126.7 | 179.1 | -126 | 36.1 | -14.4 | 0 | 0 | 0 | 116.9 | |||||
| 339 | H | 37.7 | Very low | 37.9 | Very low | 168 Ų | 168 | 145.7 Ų | 145.7 | 78% | 0.778 | 80% | 0.797 | S | S | * | * | trans | -150.1 | 137.2 | 153.6 | -90 | -73.9 | 0 | 0 | 0 | 107.8 | ||||
| 340 | E | 34.7 | Very low | 37.8 | Very low | 158 Ų | 158 | 144.9 Ų | 144.9 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | cis | 93.5 | 97.2 | 29.8 | -166.2 | -166 | -147.4 | 0 | 0 | 114.7 | ||||
| 341 | A | 38.2 | Very low | 37.8 | Very low | 96 Ų | 96 | 152 Ų | 152 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | trans | -174.2 | 87.1 | 155.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 342 | T | 38.8 | Very low | 37.9 | Very low | 99 Ų | 99 | 156.3 Ų | 156.3 | 61% | 0.607 | 80% | 0.796 | S | S | * | * | 54.3 | 103.4 | 85.9 | -60.7 | 0 | 0 | 0 | 0 | 115.2 | R344 | T342-R344 HydrophobicContact CG2-CG 4.46Š| |||
| 343 | E | 39.1 | Very low | 37.7 | Very low | 199 Ų | 199 | 160.1 Ų | 160.1 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | trans | -139.1 | 147.8 | 132.6 | -144.5 | 173.6 | -153.1 | 0 | 0 | 111 | ||||
| 344 | R | 38.2 | Very low | 38.2 | Very low | 216 Ų | 216 | 160.5 Ų | 160.5 | 82% | 0.815 | 80% | 0.798 | S | S | * | * | trans | -114.7 | 167.2 | -169 | -62.6 | 167.9 | 171 | 143.6 | -4 | 109.7 | T342 | T342-R344 HydrophobicContact CG2-CG 4.46Š| ||
| 345 | R | 37 | Very low | 38.8 | Very low | 203 Ų | 203 | 157.5 Ų | 157.5 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | 159.7 | 118.2 | 117.6 | -172.1 | 174.6 | -146.7 | -164.8 | 7.8 | 116.8 | |||||
| 346 | R | 39.3 | Very low | 39.6 | Very low | 196 Ų | 196 | 156.5 Ų | 156.5 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | trans | 76.9 | 89 | 148.4 | -72.9 | 174.9 | 177.4 | -178.6 | -4.6 | 122.7 | ||||
| 347 | Q | 41.4 | Very low | 40.8 | Very low | 185 Ų | 185 | 158.7 Ų | 158.7 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | 18.7 | 126.6 | 115.4 | -65.6 | 173.9 | -40.9 | 0 | 0 | 121.1 | |||||
| 348 | K | 40.6 | Very low | 42.3 | Very low | 221 Ų | 221 | 156 Ų | 156 | 96% | 0.961 | 76% | 0.762 | S | S | * | * | trans | -174.8 | 136.2 | 130.9 | -103 | 177.6 | -178.7 | -176.6 | 0 | 107.9 | ||||
| 349 | G | 39 | Very low | 43.6 | Very low | 79 Ų | 79 | 155.8 Ų | 155.8 | 81% | 0.814 | 76% | 0.759 | S | S | * | * | cis | -163.3 | 144.7 | -10.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 350 | T | 35.7 | Very low | 44.8 | Very low | 141 Ų | 141 | 153.4 Ų | 153.4 | 87% | 0.865 | 75% | 0.752 | S | S | * | * | trans | -102.6 | 155.4 | -166.8 | 49.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 351 | R | 36.7 | Very low | 46.3 | Very low | 221 Ų | 221 | 150.6 Ų | 150.6 | 83% | 0.834 | 74% | 0.739 | S | S | * | * | trans | -161.1 | 99.8 | 132.7 | -146.5 | 170 | -170.3 | 174.5 | 4.3 | 114.4 | ||||
| 352 | Y | 40 | Very low | 47.5 | Very low | 217 Ų | 217 | 148.9 Ų | 148.9 | 85% | 0.851 | 72% | 0.719 | S | S | * | * | trans | -78.5 | 158.5 | 152.4 | -81 | -90.5 | 0 | 0 | 0 | 109.7 | ||||
| 353 | R | 36.1 | Very low | 48.7 | Very low | 193 Ų | 193 | 147.6 Ų | 147.6 | 73% | 0.728 | 71% | 0.708 | S | S | * | * | trans | -146.4 | 62.9 | 173.6 | -161.7 | -176.4 | -172.5 | 172.3 | 2.6 | 112.3 | ||||
| 354 | T | 46.6 | Very low | 49.6 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 78% | 0.779 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 136.7 | 153.1 | 37.3 | 0 | 0 | 0 | 0 | 108.6 | ||
| 355 | Q | 47.9 | Very low | 50.4 | Low | 146 Ų | 146 | 141.5 Ų | 141.5 | 68% | 0.682 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 141.8 | 171.8 | -64.8 | -78.8 | 34.5 | 0 | 0 | 108.7 | ||
| 356 | P | 52.5 | Low | 51.3 | Low | 104 Ų | 104 | 138.9 Ų | 138.9 | 68% | 0.675 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 141.2 | 165.9 | 31 | -32.9 | 0 | 0 | 0 | 109.4 | T358 | P356-T358 PolarHBondContact O-N 3.31Š|
| 357 | I | 60.5 | Low | 51.5 | Low | 129 Ų | 129 | 137.1 Ų | 137.1 | 66% | 0.662 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 128.2 | 169.8 | -64.4 | 175.1 | 0 | 0 | 0 | 108.1 | E361 V362 | I357-E361 HydrophobicContact CG2-CB 3.73Å; I357-V362 HydrophobicContact CG2-CG2 3.9Å |
| 358 | T | 68.6 | Low | 51.6 | Low | 66 Ų | 66 | 131.1 Ų | 131.1 | 41% | 0.405 | 68% | 0.678 | S | S | . | * | P | Polyproline II helix | trans | -77 | 156.9 | -177.5 | 62.8 | 0 | 0 | 0 | 0 | 111.6 | P356 D360 E361 V362 | P356-T358 PolarHBondContact O-N 3.31Å; T358-D360 PolarHBondContact O-N 2.9Å; T358-E361 WeakPolarHBondContact CB-OE2 3.46Å; T358-E361 WeakPolarHBondContact CG2-OE2 3.39Å; T358-E361 PolarHBondContact N-OE2 3.08Å; T358-E361 PolarHBondContact O-N 3.04Å; T358-E361 VanDerWaalsContact O-N 3.1Å; T358-E361 VanDerWaalsContact OG1-CD 3.29Å; T358-E361 WeakPolarHBondContact OG1-CG 3.18Å; T358-E361 PolarHBondContact OG1-N 3.08Å; T358-E361 PolarHBondContact OG1-OE2 3.12Å; T358-V362 PolarHBondContact O-N 3.16Å; T358-V362 VanDerWaalsContact O-N 3.09Å |
| 359 | V | 66.7 | Low | 51.7 | Low | 108 Ų | 108 | 126.7 Ų | 126.7 | 66% | 0.655 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -61.3 | -28.2 | 177.6 | -175 | 0 | 0 | 0 | 0 | 111.2 | V362 N363 | V359-V362 PolarHBondContact O-N 3.42Å; V359-N363 WeakPolarHBondContact O-CB 3.41Å; V359-N363 VanDerWaalsContact O-CG 3.27Å; V359-N363 PolarHBondContact O-N 3.49Å; V359-N363 PolarHBondContact O-ND2 3.46Å; V359-N363 VanDerWaalsContact O-ND2 3.1Å |
| 360 | D | 63.9 | Low | 51.5 | Low | 117 Ų | 117 | 128.3 Ų | 128.3 | 63% | 0.626 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -72.4 | -36.3 | 175.6 | -62.7 | -46.7 | 0 | 0 | 0 | 112.8 | T358 N363 L364 | T358-D360 PolarHBondContact O-N 2.9Å; D360-N363 PolarHBondContact O-N 2.88Å; D360-L364 WeakPolarHBondContact O-CD1 3.42Å; D360-L364 PolarHBondContact O-N 2.98Å |
| 361 | E | 65.6 | Low | 51.5 | Low | 100 Ų | 100 | 130.5 Ų | 130.5 | 47% | 0.467 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -67.4 | -36.8 | 172.3 | -71.9 | 161.3 | 130.8 | 0 | 0 | 111.7 | I357 T358 L364 L365 | I357-E361 HydrophobicContact CG2-CB 3.73Å; T358-E361 WeakPolarHBondContact CB-OE2 3.46Å; T358-E361 WeakPolarHBondContact CG2-OE2 3.39Å; T358-E361 PolarHBondContact N-OE2 3.08Å; T358-E361 PolarHBondContact O-N 3.04Å; T358-E361 VanDerWaalsContact O-N 3.1Å; T358-E361 VanDerWaalsContact OG1-CD 3.29Å; T358-E361 WeakPolarHBondContact OG1-CG 3.18Å; T358-E361 PolarHBondContact OG1-N 3.08Å; T358-E361 PolarHBondContact OG1-OE2 3.12Å; E361-L364 PolarHBondContact O-N 3.22Å; E361-L365 PolarHBondContact O-N 2.95Å |
| 362 | V | 63.8 | Low | 51.3 | Low | 60 Ų | 60 | 126.4 Ų | 126.4 | 36% | 0.364 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -66.5 | -43 | 171 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | I357 T358 V359 L364 L365 Q366 | I357-V362 HydrophobicContact CG2-CG2 3.9Å; T358-V362 PolarHBondContact O-N 3.16Å; T358-V362 VanDerWaalsContact O-N 3.09Å; V359-V362 PolarHBondContact O-N 3.42Å; V362-L364 VanDerWaalsContact C-N 3.27Å; V362-L364 PolarHBondContact O-N 3.45Å; V362-L365 PolarHBondContact O-N 2.81Å; V362-L365 VanDerWaalsContact O-N 3.14Å; V362-Q366 PolarHBondContact O-N 2.92Å; V362-Q366 VanDerWaalsContact O-N 3.15Å |
| 363 | N | 64 | Low | 50.8 | Low | 71 Ų | 71 | 121 Ų | 121 | 38% | 0.38 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -65.7 | -25.2 | 176.9 | -81.3 | -39.5 | 0 | 0 | 0 | 113.6 | V359 D360 | V359-N363 WeakPolarHBondContact O-CB 3.41Å; V359-N363 VanDerWaalsContact O-CG 3.27Å; V359-N363 PolarHBondContact O-N 3.49Å; V359-N363 PolarHBondContact O-ND2 3.46Å; V359-N363 VanDerWaalsContact O-ND2 3.1Å; D360-N363 PolarHBondContact O-N 2.88Å |
| 364 | L | 57.6 | Low | 50.4 | Low | 135 Ų | 135 | 122 Ų | 122 | 71% | 0.707 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -70.5 | -35.6 | 172.1 | -110.2 | 71.1 | 0 | 0 | 0 | 111.9 | D360 E361 V362 | D360-L364 WeakPolarHBondContact O-CD1 3.42Å; D360-L364 PolarHBondContact O-N 2.98Å; E361-L364 PolarHBondContact O-N 3.22Å; V362-L364 VanDerWaalsContact C-N 3.27Å; V362-L364 PolarHBondContact O-N 3.45Å |
| 365 | L | 54.6 | Low | 49.5 | Very low | 152 Ų | 152 | 124.5 Ų | 124.5 | 80% | 0.796 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -82.5 | -14.3 | 179.5 | -68.2 | 169.5 | 0 | 0 | 0 | 113.8 | E361 V362 | E361-L365 PolarHBondContact O-N 2.95Å; V362-L365 PolarHBondContact O-N 2.81Å; V362-L365 VanDerWaalsContact O-N 3.14Å |
| 366 | Q | 55.4 | Low | 48.4 | Very low | 148 Ų | 148 | 125.2 Ų | 125.2 | 69% | 0.692 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | 7.4 | 178.7 | -71.3 | -173.4 | -12.5 | 0 | 0 | 114.5 | V362 | V362-Q366 PolarHBondContact O-N 2.92Å; V362-Q366 VanDerWaalsContact O-N 3.15Å |
| 367 | K | 44.8 | Very low | 47.3 | Very low | 159 Ų | 159 | 126.5 Ų | 126.5 | 69% | 0.691 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -98.6 | 135.7 | 169.3 | -70.4 | 175.9 | -175.4 | 171.8 | 0 | 109.6 | ||
| 368 | G | 43.9 | Very low | 45.7 | Very low | 59 Ų | 59 | 122.4 Ų | 122.4 | 61% | 0.608 | 65% | 0.645 | S | S | * | * | trans | -58.1 | 168.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | V370 | G368-V370 PolarHBondContact O-N 2.89Š| ||
| 369 | P | 41.9 | Very low | 43.8 | Very low | 128 Ų | 128 | 124.4 Ų | 124.4 | 83% | 0.831 | 66% | 0.659 | S | S | * | * | trans | -50 | 114 | -162.9 | 19.6 | -33.6 | 0 | 0 | 0 | 112.3 | Q371 | P369-Q371 PolarHBondContact O-N 2.93Š| ||
| 370 | V | 35.7 | Very low | 42.2 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 69% | 0.691 | 66% | 0.656 | S | S | * | * | trans | -61 | 111.6 | 178.6 | 176.4 | 0 | 0 | 0 | 0 | 108.1 | G368 L372 | G368-V370 PolarHBondContact O-N 2.89Å; V370-L372 VanDerWaalsContact C-N 3.25Å; V370-L372 HydrophobicContact CG1-CD2 4.4Å; V370-L372 PolarHBondContact O-N 2.84Å | ||
| 371 | Q | 35.7 | Very low | 40.7 | Very low | 187 Ų | 187 | 123.7 Ų | 123.7 | 87% | 0.874 | 65% | 0.647 | S | S | * | * | trans | -67 | 90.7 | 168.2 | -66.2 | -177.2 | 10.6 | 0 | 0 | 107.8 | P369 | P369-Q371 PolarHBondContact O-N 2.93Š| ||
| 372 | L | 31.1 | Very low | 39 | Very low | 135 Ų | 135 | 122.3 Ų | 122.3 | 71% | 0.707 | 65% | 0.648 | S | S | * | * | trans | -54.8 | 139.8 | 167.4 | -68.1 | 174.3 | 0 | 0 | 0 | 108.2 | V370 R374 | V370-L372 VanDerWaalsContact C-N 3.25Å; V370-L372 HydrophobicContact CG1-CD2 4.4Å; V370-L372 PolarHBondContact O-N 2.84Å; L372-R374 PolarHBondContact O-N 2.82Å | ||
| 373 | P | 31 | Very low | 37.3 | Very low | 104 Ų | 104 | 124.6 Ų | 124.6 | 68% | 0.675 | 66% | 0.658 | S | S | * | * | trans | -52.4 | 143.5 | 178.5 | -26.3 | 34.5 | 0 | 0 | 0 | 111 | F375 | P373-F375 PolarHBondContact O-N 2.82Š| ||
| 374 | R | 27.1 | Very low | 35.7 | Very low | 214 Ų | 214 | 130.6 Ų | 130.6 | 81% | 0.808 | 68% | 0.676 | S | S | * | * | trans | -54.9 | 110.8 | 167.2 | -89.7 | -177 | 168 | 148.1 | -3.7 | 108.1 | L372 H376 | L372-R374 PolarHBondContact O-N 2.82Å; R374-H376 PolarHBondContact O-CD2 3.09Å; R374-H376 PolarHBondContact O-N 2.85Å | ||
| 375 | F | 27.2 | Very low | 34.4 | Very low | 178 Ų | 178 | 129.2 Ų | 129.2 | 78% | 0.781 | 67% | 0.665 | S | S | * | * | trans | -66 | 89.8 | 162.3 | -81.6 | -83 | 0 | 0 | 0 | 107.6 | P373 L377 | P373-F375 PolarHBondContact O-N 2.82Å; F375-L377 PolarHBondContact O-N 2.78Å | ||
| 376 | H | 25.7 | Very low | 33.4 | Very low | 161 Ų | 161 | 126.2 Ų | 126.2 | 75% | 0.745 | 65% | 0.648 | S | S | * | * | trans | -67.8 | 77.2 | 161 | -74.4 | -87.8 | 0 | 0 | 0 | 107.7 | R374 A378 | R374-H376 PolarHBondContact O-CD2 3.09Å; R374-H376 PolarHBondContact O-N 2.85Å; H376-A378 PolarHBondContact O-N 3.26Å; H376-A378 VanDerWaalsContact O-N 3.12Å | ||
| 377 | L | 29.1 | Very low | 32.2 | Very low | 132 Ų | 132 | 123 Ų | 123 | 69% | 0.691 | 65% | 0.646 | S | S | * | * | trans | -56.5 | 115.4 | 158.2 | -67.4 | 175.2 | 0 | 0 | 0 | 106 | F375 L381 | F375-L377 PolarHBondContact O-N 2.78Å; L377-L381 HydrophobicContact CB-CD1 4.48Å; L377-L381 HydrophobicContact CD2-CD1 4.01Å | ||
| 378 | A | 25.6 | Very low | 31.7 | Very low | 43 Ų | 43 | 121.7 Ų | 121.7 | 36% | 0.355 | 64% | 0.642 | S | S | . | * | trans | -60 | 142.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | H376 H380 L381 | H376-A378 PolarHBondContact O-N 3.26Å; H376-A378 VanDerWaalsContact O-N 3.12Å; A378-H380 PolarHBondContact O-N 2.56Å; A378-L381 HydrophobicContact CB-CD1 4.47Å; A378-L381 HydrophobicContact CB-CG 4.49Å; A378-L381 PolarHBondContact O-N 3.31Å | ||
| 379 | P | 30.2 | Very low | 31.1 | Very low | 107 Ų | 107 | 121.5 Ų | 121.5 | 70% | 0.695 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | 41.9 | -177.7 | 32.7 | -35.5 | 0 | 0 | 0 | 112.3 | ||
| 380 | H | 32.9 | Very low | 30.7 | Very low | 128 Ų | 128 | 117.1 Ų | 117.1 | 59% | 0.593 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.3 | 4.5 | -174.9 | -39.5 | -48.2 | 0 | 0 | 0 | 111.2 | A378 | A378-H380 PolarHBondContact O-N 2.56Š|
| 381 | L | 31.1 | Very low | 30.8 | Very low | 83 Ų | 83 | 114.5 Ų | 114.5 | 44% | 0.435 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -98.3 | -24.7 | -177.5 | -70.4 | 174.1 | 0 | 0 | 0 | 113.2 | L377 A378 | L377-L381 HydrophobicContact CB-CD1 4.48Å; L377-L381 HydrophobicContact CD2-CD1 4.01Å; A378-L381 HydrophobicContact CB-CD1 4.47Å; A378-L381 HydrophobicContact CB-CG 4.49Å; A378-L381 PolarHBondContact O-N 3.31Å |
| 382 | S | 29.9 | Very low | 30.8 | Very low | 70 Ų | 70 | 108.7 Ų | 108.7 | 49% | 0.49 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -57.9 | -56.5 | 173.8 | -44.4 | 0 | 0 | 0 | 0 | 110.5 | R384 Q385 Q386 | S382-R384 PolarHBondContact O-N 2.89Å; S382-Q385 PolarHBondContact O-N 3.2Å; S382-Q386 WeakPolarHBondContact O-CG 3.38Å; S382-Q386 PolarHBondContact O-N 3.3Å; S382-Q386 PolarHBondContact O-OE1 3.46Å |
| 383 | D | 29.7 | Very low | 31.2 | Very low | 109 Ų | 109 | 105.7 Ų | 105.7 | 58% | 0.583 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -54.5 | -35.9 | -172.4 | -39.9 | -23.2 | 0 | 0 | 0 | 112.5 | A387 | D383-A387 VanDerWaalsContact O-CB 3.23Å; D383-A387 WeakPolarHBondContact O-CB 3.29Å; D383-A387 PolarHBondContact O-N 2.92Å |
| 384 | R | 29 | Very low | 31.2 | Very low | 197 Ų | 197 | 102.1 Ų | 102.1 | 74% | 0.743 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -88.9 | -24.2 | -171.8 | -142.8 | 173.4 | -170.8 | 157.8 | 4.4 | 114.5 | S382 | S382-R384 PolarHBondContact O-N 2.89Å |
| 385 | Q | 31.1 | Very low | 31.5 | Very low | 105 Ų | 105 | 95.3 Ų | 95.3 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -90.5 | -26.8 | 172.4 | -68.1 | -165.9 | -110.4 | 0 | 0 | 112.2 | S382 S389 | S382-Q385 PolarHBondContact O-N 3.2Å; Q385-S389 WeakPolarHBondContact O-CB 3.39Å; Q385-S389 PolarHBondContact O-OG 2.81Å |
| 386 | Q | 32.7 | Very low | 32 | Very low | 90 Ų | 90 | 90.7 Ų | 90.7 | 42% | 0.421 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.6 | -47.2 | 171 | -68.8 | 176.6 | -72.8 | 0 | 0 | 110.9 | S382 E388 S389 T390 | S382-Q386 WeakPolarHBondContact O-CG 3.38Å; S382-Q386 PolarHBondContact O-N 3.3Å; S382-Q386 PolarHBondContact O-OE1 3.46Å; Q386-E388 PolarHBondContact O-N 2.71Å; Q386-S389 PolarHBondContact O-N 3.09Å; Q386-T390 PolarHBondContact O-N 3.2Å; Q386-T390 PolarHBondContact O-OG1 3.18Å |
| 387 | A | 31.7 | Very low | 32.8 | Very low | 79 Ų | 79 | 84.5 Ų | 84.5 | 65% | 0.653 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -20.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | D383 | D383-A387 VanDerWaalsContact O-CB 3.23Å; D383-A387 WeakPolarHBondContact O-CB 3.29Å; D383-A387 PolarHBondContact O-N 2.92Å |
| 388 | E | 32.8 | Very low | 33.1 | Very low | 133 Ų | 133 | 86.2 Ų | 86.2 | 62% | 0.621 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -11.5 | 175.8 | -66.5 | 178.1 | 174.4 | 0 | 0 | 113.3 | Q386 | Q386-E388 PolarHBondContact O-N 2.71Š|
| 389 | S | 32.5 | Very low | 33.7 | Very low | 54 Ų | 54 | 89.6 Ų | 89.6 | 38% | 0.378 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | -30.3 | -170 | -47.4 | 0 | 0 | 0 | 0 | 114.2 | Q385 Q386 | Q385-S389 WeakPolarHBondContact O-CB 3.39Å; Q385-S389 PolarHBondContact O-OG 2.81Å; Q386-S389 PolarHBondContact O-N 3.09Å |
| 390 | T | 33.7 | Very low | 33.9 | Very low | 36 Ų | 36 | 88.7 Ų | 88.7 | 22% | 0.221 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -102 | 126.3 | 177.5 | 56.9 | 0 | 0 | 0 | 0 | 110 | Q386 | Q386-T390 PolarHBondContact O-N 3.2Å; Q386-T390 PolarHBondContact O-OG1 3.18Å |
| 391 | N | 37.9 | Very low | 33.9 | Very low | 59 Ų | 59 | 86 Ų | 86 | 32% | 0.316 | 47% | 0.468 | S | S | . | . | trans | 68.9 | 40.9 | 168.5 | -44.6 | -46 | 0 | 0 | 0 | 115.7 | K393 A963 D965 | N391-K393 PolarHBondContact O-N 2.88Å; N391-A963 PolarHBondContact ND2-O 2.84Å; N391-D965 HydrophobicContact CB-CB 3.84Å; N391-D965 VanDerWaalsContact CG-CB 3.43Å; N391-D965 PolarHBondContact OD1-N 3.19Å; N391-D965 VanDerWaalsContact OD1-N 3.14Å | ||
| 392 | L | 34.7 | Very low | 34 | Very low | 66 Ų | 66 | 89.3 Ų | 89.3 | 35% | 0.346 | 49% | 0.486 | S | S | . | . | trans | -59.6 | 120 | 157.7 | -75 | 170.3 | 0 | 0 | 0 | 108.9 | V397 P908 | L392-V397 HydrophobicContact CB-CG2 4.15Å; L392-P908 HydrophobicContact CD1-CG 3.75Å | ||
| 393 | K | 38.5 | Very low | 33.8 | Very low | 72 Ų | 72 | 90.7 Ų | 90.7 | 31% | 0.313 | 50% | 0.495 | S | S | . | . | trans | -64.8 | 139.7 | -172 | -54.7 | -179.8 | -161.4 | 122.7 | 0 | 110.7 | N391 S395 E396 V397 | N391-K393 PolarHBondContact O-N 2.88Å; K393-S395 PolarHBondContact O-N 3.08Å; K393-E396 HydrophobicContact CB-CB 4.1Å; K393-E396 HydrophobicContact CB-CG 4.04Å; K393-E396 HydrophobicContact CD-CG 4.2Å; K393-E396 WeakPolarHBondContact CD-OE2 3.5Å; K393-E396 WeakPolarHBondContact CE-OE2 3.41Å; K393-E396 HydrophobicContact CG-CG 4.44Å; K393-E396 VanDerWaalsContact CG-OE2 3.25Å; K393-E396 WeakPolarHBondContact CG-OE2 3.44Å; K393-E396 IonicContact NZ-OE1 2.78Å; K393-E396 PolarHBondContact NZ-OE1 3.14Å; K393-E396 IonicContact NZ-OE2 2.74Å; K393-E396 PolarHBondContact NZ-OE2 2.81Å; K393-E396 PolarHBondContact O-N 3.37Å; K393-V397 PolarHBondContact O-N 2.84Å | ||
| 394 | P | 32.9 | Very low | 33.8 | Very low | 29 Ų | 29 | 91.4 Ų | 91.4 | 19% | 0.188 | 51% | 0.509 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -28.3 | 173.1 | -32.6 | 38.4 | 0 | 0 | 0 | 115.6 | A914 | P394-A914 HydrophobicContact CB-CB 3.86Å; P394-A914 HydrophobicContact CG-CB 4.44Å |
| 395 | S | 32.1 | Very low | 33.8 | Very low | 70 Ų | 70 | 88 Ų | 88 | 49% | 0.49 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -30.3 | 174.5 | 49 | 0 | 0 | 0 | 0 | 114.1 | K393 L399 | K393-S395 PolarHBondContact O-N 3.08Å; S395-L399 WeakPolarHBondContact O-CG 3.36Å |
| 396 | E | 38.5 | Very low | 33.7 | Very low | 81 Ų | 81 | 89 Ų | 89 | 38% | 0.379 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -30.7 | -171.8 | -75.3 | 178.5 | 158.1 | 0 | 0 | 113.3 | K393 R398 L399 S400 | K393-E396 HydrophobicContact CB-CB 4.1Å; K393-E396 HydrophobicContact CB-CG 4.04Å; K393-E396 HydrophobicContact CD-CG 4.2Å; K393-E396 WeakPolarHBondContact CD-OE2 3.5Å; K393-E396 WeakPolarHBondContact CE-OE2 3.41Å; K393-E396 HydrophobicContact CG-CG 4.44Å; K393-E396 VanDerWaalsContact CG-OE2 3.25Å; K393-E396 WeakPolarHBondContact CG-OE2 3.44Å; K393-E396 IonicContact NZ-OE1 2.78Å; K393-E396 PolarHBondContact NZ-OE1 3.14Å; K393-E396 IonicContact NZ-OE2 2.74Å; K393-E396 PolarHBondContact NZ-OE2 2.81Å; K393-E396 PolarHBondContact O-N 3.37Å; E396-R398 PolarHBondContact O-N 3.46Å; E396-L399 CarbonylContact O-C 3.03Å; E396-L399 WeakPolarHBondContact O-CA 3.04Å; E396-L399 PolarHBondContact O-N 3.09Å; E396-S400 PolarHBondContact O-N 2.85Å; E396-S400 PolarHBondContact O-OG 3.23Å |
| 397 | V | 42.5 | Very low | 33.7 | Very low | 31 Ų | 31 | 90 Ų | 90 | 19% | 0.188 | 55% | 0.551 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -58.9 | -32 | 176.3 | -178.1 | 0 | 0 | 0 | 0 | 111.7 | L392 K393 S400 | L392-V397 HydrophobicContact CB-CG2 4.15Å; K393-V397 PolarHBondContact O-N 2.84Å; V397-S400 PolarHBondContact O-OG 3.45Å |
| 398 | R | 34.9 | Very low | 33.7 | Very low | 169 Ų | 169 | 95 Ų | 95 | 64% | 0.638 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -12.3 | 174.3 | -67.7 | -171.7 | 176.6 | 102.5 | 3.9 | 114.2 | E396 | E396-R398 PolarHBondContact O-N 3.46Š|
| 399 | L | 37.7 | Very low | 33.6 | Very low | 114 Ų | 114 | 96.3 Ų | 96.3 | 60% | 0.597 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | -31.3 | 179.5 | -65.6 | 171.3 | 0 | 0 | 0 | 112.2 | S395 E396 G401 L402 | S395-L399 WeakPolarHBondContact O-CG 3.36Å; E396-L399 CarbonylContact O-C 3.03Å; E396-L399 WeakPolarHBondContact O-CA 3.04Å; E396-L399 PolarHBondContact O-N 3.09Å; L399-G401 PolarHBondContact O-N 3.38Å; L399-G401 VanDerWaalsContact O-N 3.14Å; L399-L402 PolarHBondContact O-N 3.42Å |
| 400 | S | 35.1 | Very low | 33.6 | Very low | 87 Ų | 87 | 99.4 Ų | 99.4 | 61% | 0.608 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -64.6 | -14.6 | 179.5 | 48.2 | 0 | 0 | 0 | 0 | 114.7 | E396 V397 L402 | E396-S400 PolarHBondContact O-N 2.85Å; E396-S400 PolarHBondContact O-OG 3.23Å; V397-S400 PolarHBondContact O-OG 3.45Å; S400-L402 VanDerWaalsContact C-N 3.26Å; S400-L402 PolarHBondContact O-N 3.03Å |
| 401 | G | 33.3 | Very low | 33.3 | Very low | 71 Ų | 71 | 103.1 Ų | 103.1 | 73% | 0.732 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -73.7 | -8.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | L399 | L399-G401 PolarHBondContact O-N 3.38Å; L399-G401 VanDerWaalsContact O-N 3.14Å |
| 402 | L | 32.3 | Very low | 33.3 | Very low | 154 Ų | 154 | 105.2 Ų | 105.2 | 81% | 0.806 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -114.1 | 19.6 | -166.4 | -76 | 168 | 0 | 0 | 0 | 115.9 | L399 S400 | L399-L402 PolarHBondContact O-N 3.42Å; S400-L402 VanDerWaalsContact C-N 3.26Å; S400-L402 PolarHBondContact O-N 3.03Å |
| 403 | S | 26.1 | Very low | 33.2 | Very low | 99 Ų | 99 | 110.2 Ų | 110.2 | 69% | 0.692 | 66% | 0.658 | S | S | * | * | trans | -156.2 | 94.9 | 175.7 | 62.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 404 | S | 29 | Very low | 32.6 | Very low | 124 Ų | 124 | 114.1 Ų | 114.1 | 87% | 0.867 | 68% | 0.682 | S | S | * | * | trans | -164 | 77.9 | 160.7 | 53.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 405 | S | 30.7 | Very low | 32.5 | Very low | 125 Ų | 125 | 121.1 Ų | 121.1 | 87% | 0.874 | 71% | 0.709 | S | S | * | * | trans | -156.9 | 61.4 | 163 | 57.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 406 | S | 28.6 | Very low | 32.3 | Very low | 126 Ų | 126 | 124.1 Ų | 124.1 | 88% | 0.881 | 72% | 0.719 | S | S | * | * | trans | -139.9 | 106.4 | 174.1 | 46.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 407 | S | 32.2 | Very low | 31.8 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | trans | -140.1 | 147.1 | 165.2 | 49.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 408 | E | 32.9 | Very low | 31.1 | Very low | 183 Ų | 183 | 129.8 Ų | 129.8 | 86% | 0.855 | 76% | 0.76 | S | S | * | * | cis | -150.4 | -175.8 | 14.3 | -141.4 | 165.5 | -137.4 | 0 | 0 | 111.3 | ||||
| 409 | L | 29.4 | Very low | 30.8 | Very low | 161 Ų | 161 | 128.6 Ų | 128.6 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | trans | -78.7 | 142.1 | -170.2 | -72.4 | 68.8 | 0 | 0 | 0 | 114 | ||||
| 410 | S | 32.3 | Very low | 30.5 | Very low | 120 Ų | 120 | 128.8 Ų | 128.8 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | -175.5 | 152.3 | 122.4 | 36.3 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 411 | S | 28.4 | Very low | 30.2 | Very low | 113 Ų | 113 | 131.5 Ų | 131.5 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -113.2 | 176.1 | 170.6 | -65.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 412 | P | 37 | Very low | 30 | Very low | 103 Ų | 103 | 133.3 Ų | 133.3 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | cis | -147.7 | -168.5 | 18.2 | 43.9 | -22.8 | 0 | 0 | 0 | 117.6 | ||||
| 413 | H | 32.2 | Very low | 29.9 | Very low | 172 Ų | 172 | 133.6 Ų | 133.6 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | trans | 66 | 93.2 | 152.8 | -64.7 | -43.6 | 0 | 0 | 0 | 121.8 | K415 | H413-K415 PolarHBondContact O-N 3.5Š| ||
| 414 | L | 27.3 | Very low | 30 | Very low | 154 Ų | 154 | 135.4 Ų | 135.4 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | 14.8 | 102.3 | 108.1 | -100.7 | 161.4 | 0 | 0 | 0 | 117.3 | |||||
| 415 | K | 29.6 | Very low | 30 | Very low | 176 Ų | 176 | 133.7 Ų | 133.7 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | 173.2 | 144.4 | 102.4 | -93.7 | 169.8 | -176.5 | 175.9 | 0 | 115.2 | H413 | H413-K415 PolarHBondContact O-N 3.5Š| |||
| 416 | N | 28.4 | Very low | 29.9 | Very low | 132 Ų | 132 | 134 Ų | 134 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | 61.6 | 106.1 | 145.3 | -71.1 | 23.8 | 0 | 0 | 0 | 122.5 | ||||
| 417 | T | 28 | Very low | 30.3 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 71% | 0.712 | 77% | 0.767 | S | S | * | * | 80.6 | 137 | 122.6 | 55.8 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 418 | T | 28.1 | Very low | 30.6 | Very low | 115 Ų | 115 | 136 Ų | 136 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | trans | 73.4 | 97 | 148.3 | 44 | 0 | 0 | 0 | 0 | 121 | ||||
| 419 | N | 28.9 | Very low | 30.7 | Very low | 144 Ų | 144 | 133.4 Ų | 133.4 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | 84.2 | 151.3 | 121 | -75.6 | 1.4 | 0 | 0 | 0 | 122.6 | |||||
| 420 | T | 30.5 | Very low | 30.8 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 73% | 0.73 | 75% | 0.752 | S | S | * | * | trans | 69.5 | 96.9 | 155.9 | 38.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 421 | N | 28.9 | Very low | 30.8 | Very low | 144 Ų | 144 | 132.5 Ų | 132.5 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | 55.8 | 136 | 119.5 | -70.4 | -0.2 | 0 | 0 | 0 | 121.5 | |||||
| 422 | S | 29.1 | Very low | 31.4 | Very low | 109 Ų | 109 | 135.7 Ų | 135.7 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | trans | 73 | 157.8 | 145 | 82 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 423 | Q | 30.3 | Very low | 31.1 | Very low | 160 Ų | 160 | 137.9 Ų | 137.9 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | cis | -157.9 | 159.1 | -25.2 | -120.9 | 177.9 | 1.9 | 0 | 0 | 107.9 | ||||
| 424 | N | 28.5 | Very low | 31.2 | Very low | 136 Ų | 136 | 138.8 Ų | 138.8 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | 58 | 130.5 | 145.8 | -62.4 | -17.9 | 0 | 0 | 0 | 121.4 | ||||
| 425 | A | 27.8 | Very low | 31.4 | Very low | 88 Ų | 88 | 140.5 Ų | 140.5 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | 97.9 | 115.2 | 126.1 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 426 | V | 29.8 | Very low | 31.6 | Very low | 131 Ų | 131 | 137 Ų | 137 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | 79.4 | 100.3 | 121.8 | 175.4 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 427 | H | 36.1 | Very low | 31.5 | Very low | 177 Ų | 177 | 135.7 Ų | 135.7 | 82% | 0.819 | 76% | 0.76 | S | S | * | * | 11 | 171.4 | 114.9 | -72.9 | -41.9 | 0 | 0 | 0 | 120.6 | |||||
| 428 | P | 38.8 | Very low | 31.5 | Very low | 102 Ų | 102 | 134.8 Ų | 134.8 | 66% | 0.662 | 76% | 0.759 | S | S | * | * | cis | -135.5 | -152.1 | -7.6 | 20.7 | 7.8 | 0 | 0 | 0 | 112.8 | ||||
| 429 | I | 35.2 | Very low | 31.4 | Very low | 129 Ų | 129 | 138.8 Ų | 138.8 | 66% | 0.662 | 77% | 0.769 | S | S | * | * | trans | 109.2 | 114.3 | 143.2 | -68.9 | 170.3 | 0 | 0 | 0 | 120.1 | ||||
| 430 | K | 32.6 | Very low | 31.4 | Very low | 191 Ų | 191 | 135.5 Ų | 135.5 | 83% | 0.83 | 77% | 0.769 | S | S | * | * | trans | 42.3 | 114.6 | 148.2 | -56.6 | 166.6 | -163 | 167.8 | 0 | 118.2 | ||||
| 431 | G | 31.9 | Very low | 31.4 | Very low | 72 Ų | 72 | 136.2 Ų | 136.2 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | cis | 88 | 142.8 | 46.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 432 | I | 39.9 | Very low | 31.4 | Very low | 180 Ų | 180 | 134.1 Ų | 134.1 | 92% | 0.923 | 77% | 0.766 | S | S | * | * | trans | -163.7 | 149.4 | 158.9 | -104.9 | 152.9 | 0 | 0 | 0 | 112.5 | ||||
| 433 | L | 31.7 | Very low | 31.5 | Very low | 148 Ų | 148 | 138.2 Ų | 138.2 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | trans | -64.8 | 172 | 175.7 | -109.8 | 57.6 | 0 | 0 | 0 | 112.7 | ||||
| 434 | K | 33.9 | Very low | 31.3 | Very low | 192 Ų | 192 | 139.3 Ų | 139.3 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | cis | -164.5 | -163.3 | 36.1 | -145.8 | 163.1 | -178.6 | -179.5 | 0 | 112.9 | ||||
| 435 | K | 32.4 | Very low | 31.4 | Very low | 190 Ų | 190 | 136.8 Ų | 136.8 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | trans | -96.3 | 164.9 | -170.8 | -58.7 | -179.9 | 175 | -176.3 | 0 | 115.3 | ||||
| 436 | S | 32 | Very low | 31.5 | Very low | 103 Ų | 103 | 139 Ų | 139 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | trans | 84.5 | 132.3 | 132.3 | 55.8 | 0 | 0 | 0 | 0 | 124 | ||||
| 437 | S | 27.4 | Very low | 31.7 | Very low | 104 Ų | 104 | 143 Ų | 143 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | 82.7 | 139.9 | 136.9 | 55.1 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 438 | S | 28.7 | Very low | 31.5 | Very low | 97 Ų | 97 | 141.8 Ų | 141.8 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | trans | 67.9 | 107.8 | 147.4 | 56.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 439 | E | 26.1 | Very low | 31.3 | Very low | 199 Ų | 199 | 146.4 Ų | 146.4 | 93% | 0.93 | 75% | 0.754 | S | S | * | * | 41.6 | 129.5 | 122 | -59.7 | -177.8 | 137.2 | 0 | 0 | 122.4 | |||||
| 440 | G | 28.5 | Very low | 31.4 | Very low | 74 Ų | 74 | 147.7 Ų | 147.7 | 76% | 0.763 | 76% | 0.755 | S | S | * | * | trans | 94.1 | 158 | 155.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 441 | V | 30.6 | Very low | 31.5 | Very low | 134 Ų | 134 | 143.9 Ų | 143.9 | 81% | 0.812 | 74% | 0.743 | S | S | * | * | cis | -150.8 | 150.4 | -10.2 | 129.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 442 | V | 28.4 | Very low | 31.8 | Very low | 101 Ų | 101 | 146.9 Ų | 146.9 | 61% | 0.612 | 74% | 0.742 | S | S | * | * | trans | -20.6 | 158.8 | 166.8 | -156.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 443 | W | 30 | Very low | 31.4 | Very low | 195 Ų | 195 | 144.6 Ų | 144.6 | 74% | 0.739 | 73% | 0.731 | S | S | * | * | trans | 103.9 | 143 | 155 | -56.6 | 119.4 | 0 | 0 | 0 | 116.9 | ||||
| 444 | R | 27.2 | Very low | 31.5 | Very low | 183 Ų | 183 | 140.7 Ų | 140.7 | 69% | 0.691 | 73% | 0.727 | S | S | * | * | cis | -170.6 | 159.3 | -20.1 | -165.4 | -160.2 | -85.9 | -154.9 | -6.3 | 108.4 | ||||
| 445 | S | 29.7 | Very low | 31.4 | Very low | 82 Ų | 82 | 139.3 Ų | 139.3 | 57% | 0.573 | 72% | 0.723 | S | S | * | * | trans | 70.7 | 155.2 | 152 | -72 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 446 | D | 30.9 | Very low | 31.2 | Very low | 136 Ų | 136 | 135.8 Ų | 135.8 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | cis | -166 | 176 | -18.2 | -102.3 | -35.9 | 0 | 0 | 0 | 109.6 | ||||
| 447 | R | 33.2 | Very low | 31 | Very low | 215 Ų | 215 | 137.1 Ų | 137.1 | 81% | 0.811 | 71% | 0.711 | S | S | * | * | trans | 89.1 | 106.2 | 163 | -52.1 | -167.5 | -179.4 | 165.2 | 2.5 | 116 | ||||
| 448 | E | 32.3 | Very low | 31 | Very low | 150 Ų | 150 | 138.4 Ų | 138.4 | 70% | 0.701 | 71% | 0.706 | S | S | * | * | 70.9 | 125.3 | 79.8 | -71.1 | -170.5 | 168.1 | 0 | 0 | 112 | |||||
| 449 | R | 34.8 | Very low | 31 | Very low | 200 Ų | 200 | 140 Ų | 140 | 76% | 0.755 | 70% | 0.703 | S | S | * | * | -169.1 | 138.8 | 77 | -89.8 | -170.2 | 179.7 | 171.4 | -0.5 | 110.4 | |||||
| 450 | K | 36.2 | Very low | 31.1 | Very low | 156 Ų | 156 | 137.6 Ų | 137.6 | 68% | 0.678 | 70% | 0.697 | S | S | * | * | 62.4 | 143.5 | 102.5 | -64.2 | -174 | 129.9 | -66.9 | 0 | 114.4 | |||||
| 451 | D | 35.2 | Very low | 31.2 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 59% | 0.588 | 69% | 0.692 | S | S | * | * | cis | -158.8 | 165.2 | 2.1 | -95 | -17.1 | 0 | 0 | 0 | 105.5 | ||||
| 452 | L | 38.9 | Very low | 31.1 | Very low | 135 Ų | 135 | 139.6 Ų | 139.6 | 71% | 0.707 | 69% | 0.691 | S | S | * | * | cis | -158.9 | -154.9 | 4.7 | -122.1 | 167.6 | 0 | 0 | 0 | 110.4 | ||||
| 453 | N | 31.2 | Very low | 31.1 | Very low | 133 Ų | 133 | 140.1 Ų | 140.1 | 71% | 0.711 | 69% | 0.687 | S | S | * | * | trans | -54.6 | 166 | 177.2 | -54.6 | -18.1 | 0 | 0 | 0 | 116.4 | ||||
| 454 | G | 33 | Very low | 31 | Very low | 66 Ų | 66 | 139.9 Ų | 139.9 | 68% | 0.68 | 69% | 0.686 | S | S | * | * | cis | 122.8 | 172.6 | 1.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 455 | H | 32.6 | Very low | 31.1 | Very low | 162 Ų | 162 | 134.5 Ų | 134.5 | 75% | 0.75 | 69% | 0.688 | S | S | * | * | trans | 66.6 | 153.5 | 171.7 | -75.8 | -71.2 | 0 | 0 | 0 | 117.4 | ||||
| 456 | N | 28.1 | Very low | 31.1 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 63% | 0.626 | 69% | 0.692 | S | S | * | * | cis | -171.1 | 166 | -26.1 | -137.3 | 1.1 | 0 | 0 | 0 | 109 | ||||
| 457 | L | 28.3 | Very low | 31 | Very low | 130 Ų | 130 | 136.5 Ų | 136.5 | 68% | 0.681 | 69% | 0.692 | S | S | * | * | trans | 63.4 | 162.4 | 152.9 | -94.1 | 67.7 | 0 | 0 | 0 | 117.4 | ||||
| 458 | E | 27.1 | Very low | 30.6 | Very low | 132 Ų | 132 | 133.9 Ų | 133.9 | 62% | 0.617 | 69% | 0.689 | S | S | * | * | cis | -164.8 | 174.5 | -30.5 | -133.8 | -173 | 129.7 | 0 | 0 | 109.9 | ||||
| 459 | Q | 29 | Very low | 30.4 | Very low | 129 Ų | 129 | 131.8 Ų | 131.8 | 60% | 0.603 | 69% | 0.686 | S | S | * | * | trans | 62.4 | 128.4 | 143.4 | -79.1 | 174 | 37.8 | 0 | 0 | 122.9 | ||||
| 460 | N | 27.3 | Very low | 30.1 | Very low | 150 Ų | 150 | 130.4 Ų | 130.4 | 80% | 0.802 | 69% | 0.686 | S | S | * | * | trans | 67.6 | 145.9 | 142.4 | -52.6 | -27.4 | 0 | 0 | 0 | 118.2 | ||||
| 461 | G | 30.8 | Very low | 29.7 | Very low | 64 Ų | 64 | 130 Ų | 130 | 66% | 0.66 | 69% | 0.686 | S | S | * | * | cis | -132.2 | -178 | 2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 462 | K | 27.9 | Very low | 29.3 | Very low | 186 Ų | 186 | 130.9 Ų | 130.9 | 81% | 0.809 | 69% | 0.687 | S | S | * | * | 53.1 | 133.9 | 61.7 | -79.3 | -171.1 | 156.3 | -137.4 | 0 | 112.5 | |||||
| 463 | E | 29.1 | Very low | 28.7 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 52% | 0.523 | 69% | 0.688 | S | S | . | * | cis | -162 | 161.9 | 13.1 | -139.8 | 173.7 | -108.4 | 0 | 0 | 111.1 | ||||
| 464 | R | 28 | Very low | 28.5 | Very low | 189 Ų | 189 | 132.1 Ų | 132.1 | 71% | 0.713 | 69% | 0.687 | S | S | * | * | trans | 66.4 | 153.1 | 165.4 | -65.8 | 157.1 | -169.3 | -82.2 | -2.1 | 114.5 | E466 | R464-E466 IonicContact NH1-OE1 3.57Å; R464-E466 PolarHBondContact NH1-OE1 2.82Å; R464-E466 VanDerWaalsContact NH1-OE1 3.16Å | ||
| 465 | G | 30.3 | Very low | 28.2 | Very low | 71 Ų | 71 | 136.2 Ų | 136.2 | 73% | 0.732 | 69% | 0.693 | S | S | * | * | cis | 113.6 | 153 | 29.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 466 | E | 29.5 | Very low | 28 | Very low | 140 Ų | 140 | 133.6 Ų | 133.6 | 65% | 0.654 | 69% | 0.693 | S | S | * | * | cis | -146.6 | 169.1 | 7.4 | -99.8 | 145.6 | -148.1 | 0 | 0 | 108.7 | R464 | R464-E466 IonicContact NH1-OE1 3.57Å; R464-E466 PolarHBondContact NH1-OE1 2.82Å; R464-E466 VanDerWaalsContact NH1-OE1 3.16Å | ||
| 467 | T | 27.3 | Very low | 28.1 | Very low | 120 Ų | 120 | 134 Ų | 134 | 74% | 0.736 | 71% | 0.705 | S | S | * | * | trans | -12.3 | 151.9 | 140.2 | 26.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 468 | E | 25.7 | Very low | 28.2 | Very low | 160 Ų | 160 | 133.3 Ų | 133.3 | 75% | 0.748 | 71% | 0.705 | S | S | * | * | cis | -168.6 | 146.5 | 34.8 | -134.1 | -179.3 | 136.9 | 0 | 0 | 111.9 | ||||
| 469 | V | 27.5 | Very low | 28.4 | Very low | 105 Ų | 105 | 133.9 Ų | 133.9 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | 59.9 | 155.2 | 128.1 | 156.6 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 470 | K | 30.1 | Very low | 28.5 | Very low | 171 Ų | 171 | 135 Ų | 135 | 74% | 0.743 | 72% | 0.718 | S | S | * | * | trans | 75.8 | 146.6 | 164.7 | -90.8 | 153.3 | -177.8 | 179.9 | 0 | 117.8 | ||||
| 471 | E | 26.2 | Very low | 28.6 | Very low | 148 Ų | 148 | 133.5 Ų | 133.5 | 69% | 0.692 | 72% | 0.719 | S | S | * | * | cis | -177.1 | 157.5 | -36.4 | -115.1 | 174.6 | 149.3 | 0 | 0 | 106 | ||||
| 472 | E | 26.6 | Very low | 28.7 | Very low | 128 Ų | 128 | 137 Ų | 137 | 60% | 0.598 | 73% | 0.73 | S | S | * | * | trans | 54.6 | 130.4 | 151.2 | -68.4 | -156.3 | 149.8 | 0 | 0 | 123.4 | ||||
| 473 | R | 27.7 | Very low | 28.9 | Very low | 195 Ų | 195 | 132.1 Ų | 132.1 | 74% | 0.736 | 73% | 0.732 | S | S | * | * | trans | 76.5 | 97.1 | 131.3 | -72.5 | 177.3 | 171.2 | 130.4 | 6.6 | 121.2 | ||||
| 474 | S | 26.2 | Very low | 28.9 | Very low | 99 Ų | 99 | 135.3 Ų | 135.3 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | 100 | 137.8 | 100.2 | 75.6 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 475 | L | 27 | Very low | 29.1 | Very low | 153 Ų | 153 | 133.9 Ų | 133.9 | 80% | 0.801 | 75% | 0.752 | S | S | * | * | trans | 76.9 | 108.7 | 146.7 | -71.2 | 163.4 | 0 | 0 | 0 | 121.6 | ||||
| 476 | S | 27.3 | Very low | 29.1 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | 55.8 | 119.3 | 131 | 67 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 477 | S | 31.2 | Very low | 29.3 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | -163.1 | 154.1 | 104.9 | 59.9 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 478 | V | 30.9 | Very low | 29.7 | Very low | 115 Ų | 115 | 131.1 Ų | 131.1 | 70% | 0.697 | 76% | 0.758 | S | S | * | * | trans | -92.6 | 141.2 | -168.9 | 174.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 479 | D | 31.7 | Very low | 30.6 | Very low | 144 Ų | 144 | 128 Ų | 128 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | trans | 179.2 | 114 | 131.4 | -94.9 | -20.3 | 0 | 0 | 0 | 111.9 | ||||
| 480 | H | 30.2 | Very low | 30.8 | Very low | 154 Ų | 154 | 133.1 Ų | 133.1 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | 72.8 | 86 | 89.1 | -80.7 | 93 | 0 | 0 | 0 | 116.5 | |||||
| 481 | S | 30 | Very low | 30.8 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | 174.6 | 134.3 | 127.6 | -79.4 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 482 | P | 33.1 | Very low | 31.1 | Very low | 139 Ų | 139 | 133.1 Ų | 133.1 | 90% | 0.903 | 75% | 0.754 | S | S | * | * | trans | -83.2 | 143.5 | 175.4 | 33.2 | -33.7 | 0 | 0 | 0 | 112.7 | ||||
| 483 | G | 30.9 | Very low | 31.3 | Very low | 82 Ų | 82 | 137.1 Ų | 137.1 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | trans | -137.2 | 130.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 484 | H | 30.1 | Very low | 31.5 | Very low | 180 Ų | 180 | 133.8 Ų | 133.8 | 83% | 0.833 | 77% | 0.765 | S | S | * | * | trans | -112.1 | 163.3 | -170.4 | -138.8 | -88.6 | 0 | 0 | 0 | 111.6 | ||||
| 485 | L | 30.9 | Very low | 31.6 | Very low | 158 Ų | 158 | 138.9 Ų | 138.9 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | trans | 77.3 | 162.1 | 171.4 | -48.4 | 164.9 | 0 | 0 | 0 | 114.6 | ||||
| 486 | S | 30.8 | Very low | 31.8 | Very low | 118 Ų | 118 | 138 Ų | 138 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | cis | -167.7 | 165 | 31.9 | -166.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 487 | G | 34.2 | Very low | 32 | Very low | 67 Ų | 67 | 138.8 Ų | 138.8 | 69% | 0.691 | 75% | 0.751 | S | S | * | * | trans | 121.2 | 96.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 488 | A | 35.6 | Very low | 31.9 | Very low | 89 Ų | 89 | 138.7 Ų | 138.7 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | cis | 64 | 163 | 19.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 489 | P | 44.2 | Very low | 31.9 | Very low | 93 Ų | 93 | 137.3 Ų | 137.3 | 60% | 0.604 | 74% | 0.741 | S | S | * | * | cis | -118.4 | -168.7 | 2.3 | 12.8 | 15 | 0 | 0 | 0 | 113.2 | ||||
| 490 | W | 31.7 | Very low | 32.2 | Very low | 213 Ų | 213 | 139.6 Ų | 139.6 | 81% | 0.807 | 74% | 0.744 | S | S | * | * | cis | -160.1 | 130.8 | 45.1 | -75.2 | 81.6 | 0 | 0 | 0 | 110.3 | ||||
| 491 | R | 30.8 | Very low | 32.2 | Very low | 187 Ų | 187 | 135.6 Ų | 135.6 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | 72.3 | 140.5 | 82.9 | -78.8 | -168.1 | -172.4 | -117 | 8.3 | 116.6 | |||||
| 492 | Q | 31.5 | Very low | 32.3 | Very low | 132 Ų | 132 | 140.8 Ų | 140.8 | 62% | 0.617 | 75% | 0.746 | S | S | * | * | cis | -175.7 | 167.5 | -9.4 | -158.6 | 170.9 | 10.5 | 0 | 0 | 112.6 | ||||
| 493 | R | 31.6 | Very low | 32.1 | Very low | 213 Ų | 213 | 138.8 Ų | 138.8 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | trans | 90.6 | 120.3 | 162.7 | -62.4 | 178.6 | 173.3 | 167.7 | -2 | 116.6 | ||||
| 494 | T | 31.9 | Very low | 32 | Very low | 124 Ų | 124 | 145 Ų | 145 | 76% | 0.761 | 73% | 0.729 | S | S | * | * | 75.5 | 141 | 52 | 72.5 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 495 | R | 28.8 | Very low | 32.1 | Very low | 207 Ų | 207 | 148.3 Ų | 148.3 | 78% | 0.781 | 73% | 0.734 | S | S | * | * | cis | -171.7 | 161.2 | 33.5 | -160.2 | -176.4 | 174.6 | -172.9 | 2.6 | 113.1 | ||||
| 496 | K | 29.6 | Very low | 31.9 | Very low | 135 Ų | 135 | 145 Ų | 145 | 59% | 0.587 | 73% | 0.725 | S | S | * | * | trans | 75.3 | 158.4 | 148.1 | -107.8 | 171.1 | 169.1 | -130.9 | 0 | 117.1 | ||||
| 497 | E | 32.3 | Very low | 31.8 | Very low | 122 Ų | 122 | 144.2 Ų | 144.2 | 57% | 0.57 | 73% | 0.725 | S | S | * | * | cis | -154.6 | 140.6 | 11.7 | -168.4 | 124.4 | -137.6 | 0 | 0 | 114.2 | ||||
| 498 | T | 29.8 | Very low | 31.5 | Very low | 124 Ų | 124 | 146.5 Ų | 146.5 | 76% | 0.761 | 73% | 0.727 | S | S | * | * | trans | 57.6 | 161.5 | 154.4 | 46.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 499 | S | 30.5 | Very low | 31.5 | Very low | 85 Ų | 85 | 149.5 Ų | 149.5 | 59% | 0.594 | 73% | 0.731 | S | S | * | * | cis | -179 | 158.9 | -26.5 | 55.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 500 | F | 37.2 | Very low | 30.8 | Very low | 193 Ų | 193 | 149.2 Ų | 149.2 | 85% | 0.846 | 73% | 0.729 | S | S | * | * | cis | -114.6 | 170.9 | 6.3 | -74.2 | -112.8 | 0 | 0 | 0 | 108.6 | ||||
| 501 | G | 30.3 | Very low | 30.8 | Very low | 69 Ų | 69 | 146.8 Ų | 146.8 | 71% | 0.711 | 73% | 0.727 | S | S | * | * | cis | 78.6 | 146.8 | 35.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 502 | R | 31.8 | Very low | 30.5 | Very low | 227 Ų | 227 | 146.1 Ų | 146.1 | 86% | 0.857 | 73% | 0.732 | S | S | * | * | cis | -174.4 | 161.4 | 8 | -138 | -167 | 165.4 | -175.7 | -5.7 | 105.4 | ||||
| 503 | T | 28.7 | Very low | 30.3 | Very low | 96 Ų | 96 | 148 Ų | 148 | 59% | 0.589 | 74% | 0.74 | S | S | * | * | cis | -156.8 | 130.5 | 5.6 | -24.6 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 504 | R | 29.5 | Very low | 30 | Very low | 214 Ų | 214 | 145.3 Ų | 145.3 | 81% | 0.808 | 74% | 0.741 | S | S | * | * | 43.8 | 110.4 | 88.4 | -107.9 | -171.3 | -175.9 | -159.7 | 3.8 | 114.5 | |||||
| 505 | R | 32.8 | Very low | 29.7 | Very low | 248 Ų | 248 | 149.1 Ų | 149.1 | 94% | 0.936 | 74% | 0.743 | S | S | * | * | -130.8 | 126.6 | 113.1 | -65.9 | -172.8 | -178.5 | -174.6 | 0.6 | 106.1 | |||||
| 506 | S | 25.9 | Very low | 29.5 | Very low | 90 Ų | 90 | 146.2 Ų | 146.2 | 63% | 0.629 | 74% | 0.742 | S | S | * | * | cis | 80.5 | 85.5 | 21.7 | 91.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 507 | A | 30 | Very low | 29.4 | Very low | 100 Ų | 100 | 144.5 Ų | 144.5 | 83% | 0.826 | 75% | 0.747 | S | S | * | * | trans | -126.2 | 162 | 149.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 508 | P | 26.9 | Very low | 29.2 | Very low | 115 Ų | 115 | 147.7 Ų | 147.7 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | trans | -118.4 | 174.6 | -155.9 | 41.2 | -30.8 | 0 | 0 | 0 | 116 | ||||
| 509 | N | 36.3 | Very low | 29.1 | Very low | 152 Ų | 152 | 147.9 Ų | 147.9 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | trans | -46.7 | 146 | 153.2 | -82 | 46.3 | 0 | 0 | 0 | 111 | ||||
| 510 | P | 29.1 | Very low | 29.1 | Very low | 87 Ų | 87 | 151.7 Ų | 151.7 | 57% | 0.565 | 78% | 0.775 | S | S | * | * | -145.2 | -166.3 | 105.5 | 35.9 | -18.2 | 0 | 0 | 0 | 113.5 | |||||
| 511 | E | 31.4 | Very low | 28.8 | Very low | 163 Ų | 163 | 150.6 Ų | 150.6 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | 63.6 | 133.6 | 164.8 | -69.9 | 120.1 | -133.8 | 0 | 0 | 117.7 | ||||
| 512 | E | 25 | Very low | 29 | Very low | 172 Ų | 172 | 155.4 Ų | 155.4 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | cis | 82.2 | 99.4 | 25.3 | -57.3 | -168.3 | 155.4 | 0 | 0 | 116.9 | ||||
| 513 | H | 26.3 | Very low | 28.9 | Very low | 171 Ų | 171 | 149.4 Ų | 149.4 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | trans | 59.4 | 161 | 145 | -79.6 | -94.5 | 0 | 0 | 0 | 121.8 | ||||
| 514 | L | 26.5 | Very low | 29 | Very low | 158 Ų | 158 | 152.2 Ų | 152.2 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | 75.9 | 161.9 | 168.8 | -48.3 | 177 | 0 | 0 | 0 | 117 | ||||
| 515 | Y | 24.2 | Very low | 29.2 | Very low | 203 Ų | 203 | 148.9 Ų | 148.9 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | -177.9 | 158.7 | -54.2 | -132.9 | -83.6 | 0 | 0 | 0 | 106.3 | |||||
| 516 | L | 26.4 | Very low | 29.2 | Very low | 147 Ų | 147 | 142.7 Ų | 142.7 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | 68.7 | 160.8 | 169.7 | -56.1 | 169.2 | 0 | 0 | 0 | 116.6 | ||||
| 517 | S | 27.2 | Very low | 29.5 | Very low | 98 Ų | 98 | 142.1 Ų | 142.1 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | cis | 151.2 | 124.9 | -37.3 | -85.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 518 | E | 28.6 | Very low | 29.5 | Very low | 190 Ų | 190 | 145.2 Ų | 145.2 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | trans | -168.2 | 100.2 | 147.5 | -109.4 | 169 | -176.9 | 0 | 0 | 106.7 | ||||
| 519 | V | 27.6 | Very low | 29.6 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | 80.8 | 113.2 | 70.8 | 170.4 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 520 | L | 30.7 | Very low | 29.3 | Very low | 165 Ų | 165 | 141.6 Ų | 141.6 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | trans | -164.1 | 101.1 | 133 | -106.6 | 170.7 | 0 | 0 | 0 | 109.4 | ||||
| 521 | Q | 29.1 | Very low | 29.5 | Very low | 171 Ų | 171 | 144.9 Ų | 144.9 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | trans | -99.3 | 148.8 | 165.8 | -76.8 | 179.8 | -51.1 | 0 | 0 | 109.7 | ||||
| 522 | I | 34.4 | Very low | 29.3 | Very low | 170 Ų | 170 | 141.4 Ų | 141.4 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | trans | -129.4 | 138.8 | 150.1 | -61.8 | -177.7 | 0 | 0 | 0 | 106.2 | ||||
| 523 | T | 31.5 | Very low | 29.6 | Very low | 101 Ų | 101 | 139.3 Ų | 139.3 | 62% | 0.62 | 78% | 0.775 | S | S | * | * | trans | -119.9 | -177.4 | -164.4 | -45.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 524 | E | 30.4 | Very low | 29.8 | Very low | 154 Ų | 154 | 140.9 Ų | 140.9 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | trans | 96.5 | 141.4 | 154.4 | -48.5 | -142.2 | 129.2 | 0 | 0 | 118.3 | ||||
| 525 | Q | 32.5 | Very low | 30.1 | Very low | 145 Ų | 145 | 140.6 Ų | 140.6 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | cis | -164.1 | 154.2 | -19.7 | -112.6 | -159.8 | 54.1 | 0 | 0 | 110.3 | ||||
| 526 | S | 32.6 | Very low | 30.5 | Very low | 118 Ų | 118 | 136.8 Ų | 136.8 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | 65.9 | 152.5 | 150.8 | 74.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 527 | G | 32.3 | Very low | 30.6 | Very low | 78 Ų | 78 | 136.8 Ų | 136.8 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | 152 | 68.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 528 | D | 30.8 | Very low | 30.8 | Very low | 165 Ų | 165 | 137.2 Ų | 137.2 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | trans | -71 | 168.6 | -179.3 | -81.3 | -61.9 | 0 | 0 | 0 | 115.9 | ||||
| 529 | S | 29.8 | Very low | 31 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | 85.2 | 88.2 | 146.4 | -177.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 530 | A | 29.1 | Very low | 31.2 | Very low | 90 Ų | 90 | 137.9 Ų | 137.9 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | 57.5 | 173.5 | 112.4 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 531 | I | 33.1 | Very low | 31.1 | Very low | 155 Ų | 155 | 137 Ų | 137 | 80% | 0.795 | 76% | 0.756 | S | S | * | * | trans | 70.4 | 98.4 | 177 | -46.5 | 173.6 | 0 | 0 | 0 | 112.4 | ||||
| 532 | A | 28.5 | Very low | 31.2 | Very low | 91 Ų | 91 | 135.1 Ų | 135.1 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | 80.3 | 138.4 | 53.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 533 | D | 30.4 | Very low | 31.1 | Very low | 128 Ų | 128 | 134.7 Ų | 134.7 | 68% | 0.684 | 74% | 0.742 | S | S | * | * | trans | 80.8 | 130.1 | 161.7 | -118.8 | 24.3 | 0 | 0 | 0 | 121.3 | ||||
| 534 | R | 31.2 | Very low | 31.1 | Very low | 203 Ų | 203 | 138 Ų | 138 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | trans | 82.3 | 99 | 150.2 | -63.9 | 168.8 | -158.9 | -152.3 | -1.7 | 122.5 | ||||
| 535 | L | 31.5 | Very low | 31 | Very low | 152 Ų | 152 | 137.5 Ų | 137.5 | 80% | 0.796 | 75% | 0.748 | S | S | * | * | 33.8 | 110.6 | 100.3 | -63.1 | 165.2 | 0 | 0 | 0 | 117.9 | |||||
| 536 | T | 32.1 | Very low | 31 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 76% | 0.761 | 75% | 0.745 | S | S | * | * | 168.7 | 144.5 | 96.1 | 36.3 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 537 | N | 30.3 | Very low | 30.9 | Very low | 147 Ų | 147 | 140.3 Ų | 140.3 | 79% | 0.786 | 75% | 0.746 | S | S | * | * | trans | 19.6 | 127.1 | 142.4 | -61 | -10.1 | 0 | 0 | 0 | 118.3 | ||||
| 538 | S | 31.2 | Very low | 30.7 | Very low | 106 Ų | 106 | 140.3 Ų | 140.3 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | cis | 159.9 | 162.8 | 28 | 47.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 539 | R | 31.4 | Very low | 30.7 | Very low | 221 Ų | 221 | 137.5 Ų | 137.5 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | trans | 78.5 | 137.9 | 143.8 | -139.1 | -164.1 | 179.6 | 141.5 | 0.3 | 119.7 | ||||
| 540 | T | 32.1 | Very low | 30.6 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 68% | 0.675 | 75% | 0.75 | S | S | * | * | trans | 64.8 | 144.2 | 155.4 | 34.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 541 | K | 29.7 | Very low | 30.6 | Very low | 148 Ų | 148 | 139.8 Ų | 139.8 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | cis | -173 | 152.2 | -14.7 | -140.2 | 173.9 | 176.3 | -109.2 | 0 | 106.2 | ||||
| 542 | E | 31.5 | Very low | 30.4 | Very low | 130 Ų | 130 | 140.7 Ų | 140.7 | 61% | 0.607 | 76% | 0.755 | S | S | * | * | trans | 62.3 | 161.2 | 161.6 | -69.3 | 136 | -173.5 | 0 | 0 | 115.5 | ||||
| 543 | E | 31.5 | Very low | 30.4 | Very low | 161 Ų | 161 | 142.6 Ų | 142.6 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | cis | -156.1 | 172.2 | -22.3 | -115.7 | 166.7 | 174.3 | 0 | 0 | 108.9 | ||||
| 544 | E | 31.6 | Very low | 30.4 | Very low | 172 Ų | 172 | 143 Ų | 143 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | 53.5 | 111.9 | 157.3 | -67.7 | -171.3 | 153.6 | 0 | 0 | 122.8 | ||||
| 545 | E | 28.2 | Very low | 30.3 | Very low | 143 Ų | 143 | 140.6 Ų | 140.6 | 67% | 0.668 | 77% | 0.765 | S | S | * | * | 59.5 | 103 | 115 | -149.5 | -154 | -153.3 | 0 | 0 | 120.9 | |||||
| 546 | K | 32.9 | Very low | 30.2 | Very low | 143 Ų | 143 | 139 Ų | 139 | 62% | 0.622 | 77% | 0.767 | S | S | * | * | 174 | 134.7 | 110 | -93.1 | 172 | -156.8 | 72.7 | 0 | 116 | |||||
| 547 | Q | 29.4 | Very low | 30 | Very low | 178 Ų | 178 | 144.6 Ų | 144.6 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | 49 | 118.8 | 133.5 | -58 | 166.1 | -5.8 | 0 | 0 | 121 | ||||
| 548 | G | 29.4 | Very low | 30 | Very low | 78 Ų | 78 | 143.3 Ų | 143.3 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 169.1 | 125.9 | 152.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 549 | A | 29.7 | Very low | 30.1 | Very low | 107 Ų | 107 | 143.8 Ų | 143.8 | 88% | 0.884 | 78% | 0.78 | S | S | * | * | trans | 63 | 88.4 | 155.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 550 | T | 27.4 | Very low | 30.1 | Very low | 129 Ų | 129 | 141.8 Ų | 141.8 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | -82.9 | 122.6 | 155 | 45.8 | 0 | 0 | 0 | 0 | 110.7 | K552 | T550-K552 PolarHBondContact O-N 2.86Š| ||
| 551 | A | 30 | Very low | 30.3 | Very low | 110 Ų | 110 | 141.5 Ų | 141.5 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | trans | -88.5 | 102.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 552 | K | 28.9 | Very low | 30.2 | Very low | 173 Ų | 173 | 142.9 Ų | 142.9 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | trans | -93.1 | 118.4 | 172.6 | -67.6 | -174.8 | 177.6 | -174.3 | 0 | 110.4 | T550 | T550-K552 PolarHBondContact O-N 2.86Š| ||
| 553 | C | 28.7 | Very low | 30.2 | Very low | 131 Ų | 131 | 143.5 Ų | 143.5 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | trans | -90.3 | 106.5 | 165.7 | -163.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 554 | N | 29.3 | Very low | 30.1 | Very low | 137 Ų | 137 | 145.4 Ų | 145.4 | 73% | 0.733 | 81% | 0.805 | S | S | * | * | trans | -92.8 | 135.1 | 178.4 | -88.2 | -6.4 | 0 | 0 | 0 | 111.3 | ||||
| 555 | I | 29 | Very low | 29.9 | Very low | 153 Ų | 153 | 142.6 Ų | 142.6 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -61.8 | 150.7 | 170.9 | -63 | 164.7 | 0 | 0 | 0 | 110.6 | ||||
| 556 | S | 30.5 | Very low | 30.1 | Very low | 119 Ų | 119 | 142.9 Ų | 142.9 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | -141 | 127.6 | 162.9 | -72.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 557 | R | 27.7 | Very low | 29.7 | Very low | 240 Ų | 240 | 141.4 Ų | 141.4 | 91% | 0.906 | 82% | 0.823 | S | S | * | * | trans | -128.1 | 121.6 | 179.7 | -95.6 | -173 | 171 | -172.2 | -1.6 | 110.3 | ||||
| 558 | S | 29.1 | Very low | 29.8 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 84% | 0.839 | 82% | 0.821 | S | S | * | * | trans | 178.2 | 146.8 | 161.4 | 47.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 559 | S | 33.2 | Very low | 29.7 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | cis | -155.8 | 155.4 | 0.5 | 46.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 560 | E | 32 | Very low | 29.7 | Very low | 178 Ų | 178 | 143.8 Ų | 143.8 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | -49.7 | 179.6 | 164.1 | -78.7 | 175 | 177.8 | 0 | 0 | 117.2 | ||||
| 561 | P | 36.2 | Very low | 29.7 | Very low | 105 Ų | 105 | 142.9 Ų | 142.9 | 68% | 0.682 | 82% | 0.819 | S | S | * | * | cis | -138.1 | 176.7 | -24.5 | 29.6 | -9 | 0 | 0 | 0 | 114.5 | ||||
| 562 | Q | 29 | Very low | 29.7 | Very low | 177 Ų | 177 | 145.1 Ų | 145.1 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | 161.9 | 156.2 | 116.7 | -81 | -144.7 | -91 | 0 | 0 | 113.7 | |||||
| 563 | D | 29.8 | Very low | 29.7 | Very low | 143 Ų | 143 | 141.5 Ų | 141.5 | 77% | 0.765 | 81% | 0.809 | S | S | * | * | trans | -74.9 | 154.7 | -163.7 | -41.9 | -95.7 | 0 | 0 | 0 | 116.5 | ||||
| 564 | E | 30.9 | Very low | 29.7 | Very low | 201 Ų | 201 | 144.1 Ų | 144.1 | 94% | 0.939 | 81% | 0.808 | S | S | * | * | -152.5 | 151.4 | 112.3 | -127.4 | 178.7 | -152.3 | 0 | 0 | 111.4 | |||||
| 565 | S | 27.1 | Very low | 29.8 | Very low | 113 Ų | 113 | 143.9 Ų | 143.9 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | -109.1 | 142 | -163.2 | 58.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 566 | V | 31.5 | Very low | 29.8 | Very low | 148 Ų | 148 | 144.6 Ų | 144.6 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | trans | -132.3 | 115.9 | 163.6 | -178.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 567 | S | 25.9 | Very low | 29.8 | Very low | 112 Ų | 112 | 142 Ų | 142 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | -87.9 | 120.7 | 180 | 46.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 568 | A | 31.2 | Very low | 29.9 | Very low | 94 Ų | 94 | 136.6 Ų | 136.6 | 78% | 0.777 | 77% | 0.772 | S | S | * | * | trans | -108.5 | 120.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 569 | V | 27.2 | Very low | 29.7 | Very low | 138 Ų | 138 | 137.9 Ų | 137.9 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | trans | -95.5 | 100.2 | 176.6 | 178.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 570 | E | 30.1 | Very low | 29.5 | Very low | 182 Ų | 182 | 135.8 Ų | 135.8 | 85% | 0.85 | 75% | 0.749 | S | S | * | * | trans | -77.5 | 129.1 | 168.5 | -71.4 | -161.4 | 131.7 | 0 | 0 | 110.7 | I572 | E570-I572 PolarHBondContact O-N 3.08Š| ||
| 571 | S | 26.8 | Very low | 29.7 | Very low | 110 Ų | 110 | 132.7 Ų | 132.7 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | trans | -88.4 | 106.2 | -175.1 | 54.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 572 | I | 30.2 | Very low | 29.8 | Very low | 156 Ų | 156 | 135.3 Ų | 135.3 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | trans | -55.6 | 123.3 | 173 | -57.4 | 171.2 | 0 | 0 | 0 | 109.7 | E570 | E570-I572 PolarHBondContact O-N 3.08Š| ||
| 573 | P | 29.3 | Very low | 29.8 | Very low | 98 Ų | 98 | 131 Ų | 131 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | trans | -70.4 | 137.6 | 174.6 | 29 | -33.6 | 0 | 0 | 0 | 110.8 | T575 | P573-T575 PolarHBondContact O-N 2.79Å; P573-T575 VanDerWaalsContact O-N 3.13Å | ||
| 574 | Q | 27.7 | Very low | 29.7 | Very low | 186 Ų | 186 | 129 Ų | 129 | 87% | 0.869 | 73% | 0.729 | S | S | * | * | trans | -75.6 | 103.4 | -179.4 | -69.8 | -173.9 | -43.7 | 0 | 0 | 111.4 | Q576 | Q574-Q576 PolarHBondContact O-N 3.39Å; Q574-Q576 VanDerWaalsContact O-N 3.13Å | ||
| 575 | T | 31.5 | Very low | 29.9 | Very low | 131 Ų | 131 | 125 Ų | 125 | 80% | 0.804 | 72% | 0.718 | S | S | * | * | trans | -57.4 | 113.1 | 169.6 | 50.1 | 0 | 0 | 0 | 0 | 110.7 | P573 C577 | P573-T575 PolarHBondContact O-N 2.79Å; P573-T575 VanDerWaalsContact O-N 3.13Å; T575-C577 PolarHBondContact O-N 3.3Å | ||
| 576 | Q | 29.5 | Very low | 30.1 | Very low | 168 Ų | 168 | 130.7 Ų | 130.7 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 117.8 | -178.6 | -62.1 | -172.6 | 12.6 | 0 | 0 | 111.2 | Q574 | Q574-Q576 PolarHBondContact O-N 3.39Å; Q574-Q576 VanDerWaalsContact O-N 3.13Å |
| 577 | C | 30.9 | Very low | 30.1 | Very low | 65 Ų | 65 | 129.2 Ų | 129.2 | 44% | 0.439 | 72% | 0.72 | S | S | . | * | P | Polyproline II helix | trans | -55.9 | 140.4 | -174.1 | -57.7 | 0 | 0 | 0 | 0 | 114.2 | T575 K1311 R1454 | T575-C577 PolarHBondContact O-N 3.3Å; C577-K1311 HydrophobicContact CB-CD 4.39Å; C577-R1454 PolarHBondContact O-NH2 3.22Å |
| 578 | W | 28.2 | Very low | 30.2 | Very low | 126 Ų | 126 | 135.7 Ų | 135.7 | 48% | 0.477 | 73% | 0.727 | S | S | . | * | P | Polyproline II helix | trans | -70.3 | 147.3 | 166.1 | -65.7 | 89.5 | 0 | 0 | 0 | 111.4 | ||
| 579 | E | 25.1 | Very low | 30.1 | Very low | 148 Ų | 148 | 136.7 Ų | 136.7 | 69% | 0.692 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -100 | 123.5 | 166.2 | -82.4 | -165.6 | 123.4 | 0 | 0 | 109.8 | V581 | E579-V581 PolarHBondContact O-N 2.93Š|
| 580 | P | 30.4 | Very low | 30.3 | Very low | 73 Ų | 73 | 138.2 Ų | 138.2 | 47% | 0.474 | 73% | 0.732 | S | S | . | * | P | Polyproline II helix | trans | -69 | 128.1 | 177.1 | -19.1 | 32.3 | 0 | 0 | 0 | 111.8 | F582 S583 | P580-F582 PolarHBondContact O-N 3.12Å; P580-S583 PolarHBondContact O-N 2.91Å; P580-S583 PolarHBondContact O-OG 3.37Å |
| 581 | V | 36 | Very low | 30.3 | Very low | 112 Ų | 112 | 134.7 Ų | 134.7 | 68% | 0.679 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -11.8 | -179.7 | 178.7 | 0 | 0 | 0 | 0 | 113.1 | E579 | E579-V581 PolarHBondContact O-N 2.93Š|
| 582 | F | 37.5 | Very low | 30.8 | Very low | 161 Ų | 161 | 136 Ų | 136 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -2.3 | 178.9 | -72 | -72.4 | 0 | 0 | 0 | 116 | P580 S584 | P580-F582 PolarHBondContact O-N 3.12Å; F582-S584 VanDerWaalsContact C-N 3.32Å; F582-S584 PolarHBondContact O-N 2.83Å |
| 583 | S | 29.4 | Very low | 31 | Very low | 85 Ų | 85 | 131.5 Ų | 131.5 | 59% | 0.594 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | 15.1 | -174.4 | 66.2 | 0 | 0 | 0 | 0 | 116 | P580 | P580-S583 PolarHBondContact O-N 2.91Å; P580-S583 PolarHBondContact O-OG 3.37Å |
| 584 | S | 28.4 | Very low | 31.3 | Very low | 103 Ų | 103 | 132.5 Ų | 132.5 | 72% | 0.72 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | 3.9 | -170.2 | 59.8 | 0 | 0 | 0 | 0 | 116.2 | F582 | F582-S584 VanDerWaalsContact C-N 3.32Å; F582-S584 PolarHBondContact O-N 2.83Å |
| 585 | V | 33.4 | Very low | 32.1 | Very low | 115 Ų | 115 | 129.8 Ų | 129.8 | 70% | 0.697 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -136.3 | 66.1 | 178.5 | -165.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 586 | Y | 32.1 | Very low | 33.1 | Very low | 234 Ų | 234 | 127.2 Ų | 127.2 | 92% | 0.918 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -166.2 | 141.7 | 139.1 | -86.3 | -55.4 | 0 | 0 | 0 | 109.3 | ||
| 587 | S | 31.8 | Very low | 34.1 | Very low | 116 Ų | 116 | 124.9 Ų | 124.9 | 81% | 0.811 | 67% | 0.665 | S | S | * | * | trans | -98.3 | 151.4 | -156.2 | 50.1 | 0 | 0 | 0 | 0 | 116.2 | S589 | S587-S589 PolarHBondContact O-N 3.46Š| ||
| 588 | R | 26.8 | Very low | 35.4 | Very low | 249 Ų | 249 | 124.1 Ų | 124.1 | 94% | 0.94 | 66% | 0.66 | S | S | * | * | trans | -52.9 | 123.8 | 173.4 | -59.1 | 169.1 | 177.1 | 166.9 | -2.8 | 112.2 | ||||
| 589 | S | 30.6 | Very low | 37.3 | Very low | 114 Ų | 114 | 122.8 Ų | 122.8 | 80% | 0.797 | 66% | 0.658 | S | S | * | * | trans | -176.3 | 157.6 | 141.8 | 47.9 | 0 | 0 | 0 | 0 | 112.8 | S587 S591 | S587-S589 PolarHBondContact O-N 3.46Å; S589-S591 PolarHBondContact O-N 2.9Å | ||
| 590 | N | 30 | Very low | 39.6 | Very low | 170 Ų | 170 | 118.3 Ų | 118.3 | 91% | 0.909 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -86.2 | 98.7 | -171.4 | -70.5 | -11.9 | 0 | 0 | 0 | 113.8 | ||
| 591 | S | 31.1 | Very low | 41 | Very low | 109 Ų | 109 | 122.4 Ų | 122.4 | 76% | 0.762 | 65% | 0.652 | S | S | * | * | trans | 179.9 | 116.3 | 132.9 | 57.8 | 0 | 0 | 0 | 0 | 111.3 | S589 | S589-S591 PolarHBondContact O-N 2.9Š| ||
| 592 | T | 37.5 | Very low | 42.3 | Very low | 138 Ų | 138 | 128.8 Ų | 128.8 | 85% | 0.847 | 66% | 0.663 | S | S | * | * | trans | -84.2 | 124.1 | -177.5 | -24.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 593 | P | 34.2 | Very low | 44.1 | Very low | 61 Ų | 61 | 124 Ų | 124 | 40% | 0.396 | 65% | 0.649 | S | S | . | * | trans | -71.6 | 140 | 165.9 | -7.8 | 24.1 | 0 | 0 | 0 | 109.7 | Y595 E610 | P593-Y595 HydrophobicContact CB-CD2 4.29Å; P593-Y595 HydrophobicContact CB-CE2 3.71Å; P593-Y595 HydrophobicContact CG-CE2 4.05Å; P593-Y595 PolarHBondContact O-N 3.11Å; P593-E610 HydrophobicContact CB-CG 4.25Å | ||
| 594 | Q | 35.8 | Very low | 45.5 | Very low | 118 Ų | 118 | 126.7 Ų | 126.7 | 55% | 0.551 | 66% | 0.657 | S | S | * | * | trans | -86.1 | 109.8 | 173.2 | -67.2 | -160.6 | -59.8 | 0 | 0 | 110 | V611 | Q594-V611 PolarHBondContact O-N 3.25Š| ||
| 595 | Y | 43.9 | Very low | 46.8 | Very low | 129 Ų | 129 | 123.6 Ų | 123.6 | 51% | 0.506 | 64% | 0.635 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.5 | 136.3 | 167.6 | -67.1 | -92.2 | 0 | 0 | 0 | 110 | P593 A608 Q609 E610 | P593-Y595 HydrophobicContact CB-CD2 4.29Å; P593-Y595 HydrophobicContact CB-CE2 3.71Å; P593-Y595 HydrophobicContact CG-CE2 4.05Å; P593-Y595 PolarHBondContact O-N 3.11Å; Y595-A608 HydrophobicContact CD1-CB 4.19Å; Y595-Q609 CarbonylContact C-O 3Å; Y595-Q609 WeakPolarHBondContact CA-O 3.25Å; Y595-E610 HydrophobicContact CD1-CB 3.95Å; Y595-E610 HydrophobicContact CD1-CG 4.38Å; Y595-E610 HydrophobicContact CE1-CB 3.63Å; Y595-E610 HydrophobicContact CE1-CG 3.93Å |
| 596 | V | 51.6 | Low | 48.5 | Very low | 78 Ų | 78 | 125.3 Ų | 125.3 | 47% | 0.473 | 63% | 0.63 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.8 | 133.8 | 166.2 | 172 | 0 | 0 | 0 | 0 | 108 | Q609 V611 | V596-Q609 PolarHBondContact N-O 2.81Å; V596-Q609 PolarHBondContact O-N 3.19Å; V596-V611 HydrophobicContact CB-CG2 4.08Å; V596-V611 HydrophobicContact CG2-CG2 3.63Å |
| 597 | M | 51.7 | Low | 50.3 | Low | 119 Ų | 119 | 119 Ų | 119 | 59% | 0.586 | 61% | 0.609 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.2 | 107.4 | 175.3 | -73.3 | -71.8 | -86.2 | 0 | 0 | 109.2 | Y606 A608 | M597-Y606 HydrophobicContact CB-CD1 4.44Å; M597-Y606 HydrophobicContact CE-CG 4.35Å; M597-A608 HydrophobicContact SD-CB 3.76Å |
| 598 | C | 58.3 | Low | 51.6 | Low | 48 Ų | 48 | 116.6 Ų | 116.6 | 32% | 0.324 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.9 | 134.2 | 177.5 | -63.1 | 0 | 0 | 0 | 0 | 109.4 | Y606 E607 Q609 | C598-Y606 CarbonylContact O-C 3.56Å; C598-Y606 VanDerWaalsContact O-CA 3.32Å; C598-Y606 WeakPolarHBondContact O-CA 3.2Å; C598-E607 PolarHBondContact N-O 3.03Å; C598-E607 PolarHBondContact O-N 3.02Å; C598-Q609 PolarHBondContact SG-OE1 2.96Å |
| 599 | F | 67.3 | Low | 52.8 | Low | 99 Ų | 99 | 110.8 Ų | 110.8 | 43% | 0.434 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.5 | 122.1 | 171.6 | -177.4 | -108.8 | 0 | 0 | 0 | 109.8 | E601 L604 Y606 | F599-E601 HydrophobicContact CD1-CG 3.85Å; F599-E601 HydrophobicContact CE1-CB 4.41Å; F599-E601 HydrophobicContact CE1-CG 3.93Å; F599-L604 HydrophobicContact CZ-CD2 4.04Å; F599-Y606 HydrophobicContact CB-CD1 4.07Å; F599-Y606 HydrophobicContact CB-CE1 3.81Å; F599-Y606 HydrophobicContact CD2-CD1 4.27Å; F599-Y606 HydrophobicContact CD2-CD2 4.32Å; F599-Y606 AromaticContact CD2-CE1 3.97Å; F599-Y606 HydrophobicContact CD2-CE1 3.97Å; F599-Y606 HydrophobicContact CD2-CE2 4.02Å; F599-Y606 HydrophobicContact CD2-CG 4.44Å; F599-Y606 AromaticContact CD2-CZ 3.83Å; F599-Y606 HydrophobicContact CG-CE1 4.34Å |
| 600 | N | 73.5 | Confident | 53.9 | Low | 53 Ų | 53 | 110.6 Ų | 110.6 | 28% | 0.283 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.7 | 98.7 | 175.1 | -174.3 | -10.5 | 0 | 0 | 0 | 109.9 | R602 S603 L604 S605 E607 | N600-R602 PolarHBondContact O-N 3Å; N600-R602 VanDerWaalsContact O-N 3.17Å; N600-R602 PolarHBondContact OD1-N 2.62Å; N600-R602 VanDerWaalsContact OD1-N 3.15Å; N600-S603 WeakPolarHBondContact CB-OG 3.3Å; N600-S603 PolarHBondContact ND2-OG 3.39Å; N600-S603 PolarHBondContact O-N 2.67Å; N600-S603 VanDerWaalsContact O-N 3.13Å; N600-S603 PolarHBondContact O-OG 3.49Å; N600-L604 PolarHBondContact O-N 3.28Å; N600-S605 WeakPolarHBondContact CB-O 3.08Å; N600-S605 PolarHBondContact N-O 3.33Å; N600-E607 PolarHBondContact ND2-OE1 3.13Å |
| 601 | E | 60.2 | Low | 54.9 | Low | 160 Ų | 160 | 105.5 Ų | 105.5 | 75% | 0.748 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -29.9 | -179.5 | -60.7 | 179.9 | 150.2 | 0 | 0 | 113.2 | F599 S603 | F599-E601 HydrophobicContact CD1-CG 3.85Å; F599-E601 HydrophobicContact CE1-CB 4.41Å; F599-E601 HydrophobicContact CE1-CG 3.93Å; E601-S603 VanDerWaalsContact C-N 3.34Å; E601-S603 PolarHBondContact O-N 3.05Å |
| 602 | R | 62.8 | Low | 55.3 | Low | 246 Ų | 246 | 105.1 Ų | 105.1 | 93% | 0.928 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -15.9 | -179.1 | -76.9 | -176.7 | 169.7 | 167.7 | -0.7 | 114.5 | N600 | N600-R602 PolarHBondContact O-N 3Å; N600-R602 VanDerWaalsContact O-N 3.17Å; N600-R602 PolarHBondContact OD1-N 2.62Å; N600-R602 VanDerWaalsContact OD1-N 3.15Å |
| 603 | S | 74.8 | Confident | 55.2 | Low | 59 Ų | 59 | 105.8 Ų | 105.8 | 41% | 0.413 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.2 | -0.9 | -178.9 | 55.6 | 0 | 0 | 0 | 0 | 113.8 | N600 E601 S605 | N600-S603 WeakPolarHBondContact CB-OG 3.3Å; N600-S603 PolarHBondContact ND2-OG 3.39Å; N600-S603 PolarHBondContact O-N 2.67Å; N600-S603 VanDerWaalsContact O-N 3.13Å; N600-S603 PolarHBondContact O-OG 3.49Å; E601-S603 VanDerWaalsContact C-N 3.34Å; E601-S603 PolarHBondContact O-N 3.05Å; S603-S605 PolarHBondContact O-N 2.83Å; S603-S605 PolarHBondContact OG-OG 2.94Å |
| 604 | L | 58.8 | Low | 55.2 | Low | 142 Ų | 142 | 109.2 Ų | 109.2 | 74% | 0.743 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 42 | -176.1 | -57.4 | 175.8 | 0 | 0 | 0 | 111.8 | F599 N600 | F599-L604 HydrophobicContact CZ-CD2 4.04Å; N600-L604 PolarHBondContact O-N 3.28Å |
| 605 | S | 56.2 | Low | 54.9 | Low | 38 Ų | 38 | 110 Ų | 110 | 27% | 0.266 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -137.4 | 145.3 | -176.4 | 62.8 | 0 | 0 | 0 | 0 | 111.5 | N600 S603 | N600-S605 WeakPolarHBondContact CB-O 3.08Å; N600-S605 PolarHBondContact N-O 3.33Å; S603-S605 PolarHBondContact O-N 2.83Å; S603-S605 PolarHBondContact OG-OG 2.94Å |
| 606 | Y | 69.5 | Low | 54.3 | Low | 152 Ų | 152 | 112.8 Ų | 112.8 | 60% | 0.596 | 58% | 0.58 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -80.4 | 139.7 | 166.2 | -67 | -88.2 | 0 | 0 | 0 | 110.7 | M597 C598 F599 | M597-Y606 HydrophobicContact CB-CD1 4.44Å; M597-Y606 HydrophobicContact CE-CG 4.35Å; C598-Y606 CarbonylContact O-C 3.56Å; C598-Y606 VanDerWaalsContact O-CA 3.32Å; C598-Y606 WeakPolarHBondContact O-CA 3.2Å; F599-Y606 HydrophobicContact CB-CD1 4.07Å; F599-Y606 HydrophobicContact CB-CE1 3.81Å; F599-Y606 HydrophobicContact CD2-CD1 4.27Å; F599-Y606 HydrophobicContact CD2-CD2 4.32Å; F599-Y606 AromaticContact CD2-CE1 3.97Å; F599-Y606 HydrophobicContact CD2-CE1 3.97Å; F599-Y606 HydrophobicContact CD2-CE2 4.02Å; F599-Y606 HydrophobicContact CD2-CG 4.44Å; F599-Y606 AromaticContact CD2-CZ 3.83Å; F599-Y606 HydrophobicContact CG-CE1 4.34Å |
| 607 | E | 69 | Low | 53.3 | Low | 101 Ų | 101 | 113.4 Ų | 113.4 | 47% | 0.472 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.8 | 136.7 | 172.7 | -70.9 | 176.9 | -143.2 | 0 | 0 | 109.4 | C598 N600 | C598-E607 PolarHBondContact N-O 3.03Å; C598-E607 PolarHBondContact O-N 3.02Å; N600-E607 PolarHBondContact ND2-OE1 3.13Å |
| 608 | A | 59.5 | Low | 52.2 | Low | 65 Ų | 65 | 116.9 Ų | 116.9 | 54% | 0.537 | 61% | 0.608 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.2 | 122.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y595 M597 | Y595-A608 HydrophobicContact CD1-CB 4.19Å; M597-A608 HydrophobicContact SD-CB 3.76Å |
| 609 | Q | 52.5 | Low | 51 | Low | 127 Ų | 127 | 119.4 Ų | 119.4 | 59% | 0.593 | 62% | 0.624 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -119.6 | 124.9 | -176.5 | -161.1 | 169.2 | 15.1 | 0 | 0 | 110.6 | Y595 V596 C598 | Y595-Q609 CarbonylContact C-O 3Å; Y595-Q609 WeakPolarHBondContact CA-O 3.25Å; V596-Q609 PolarHBondContact N-O 2.81Å; V596-Q609 PolarHBondContact O-N 3.19Å; C598-Q609 PolarHBondContact SG-OE1 2.96Å |
| 610 | E | 53.3 | Low | 49.1 | Very low | 110 Ų | 110 | 123.5 Ų | 123.5 | 51% | 0.514 | 64% | 0.644 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.7 | 128.3 | -175.2 | -162 | 178.9 | 166.8 | 0 | 0 | 111.7 | P593 Y595 | P593-E610 HydrophobicContact CB-CG 4.25Å; Y595-E610 HydrophobicContact CD1-CB 3.95Å; Y595-E610 HydrophobicContact CD1-CG 4.38Å; Y595-E610 HydrophobicContact CE1-CB 3.63Å; Y595-E610 HydrophobicContact CE1-CG 3.93Å |
| 611 | V | 50.3 | Low | 46.9 | Very low | 64 Ų | 64 | 126.9 Ų | 126.9 | 39% | 0.388 | 67% | 0.666 | S | S | . | * | trans | -106.5 | 88.1 | -174.4 | -174.2 | 0 | 0 | 0 | 0 | 111.5 | Q594 V596 K613 | Q594-V611 PolarHBondContact O-N 3.25Å; V596-V611 HydrophobicContact CB-CG2 4.08Å; V596-V611 HydrophobicContact CG2-CG2 3.63Å; V611-K613 PolarHBondContact O-N 3.25Å; V611-K613 VanDerWaalsContact O-N 3.11Å | ||
| 612 | S | 39.8 | Very low | 45.3 | Very low | 100 Ų | 100 | 125.8 Ų | 125.8 | 70% | 0.699 | 67% | 0.671 | S | S | * | * | trans | -67.9 | 99.3 | 175.2 | -61.9 | 0 | 0 | 0 | 0 | 112.5 | T614 | S612-T614 PolarHBondContact O-N 3.49Š| ||
| 613 | K | 35 | Very low | 43.7 | Very low | 153 Ų | 153 | 117.8 Ų | 117.8 | 67% | 0.665 | 67% | 0.665 | S | S | * | * | trans | -84.4 | 105.1 | 175 | -73.9 | 174.6 | 176.2 | 168.1 | 0 | 111.9 | V611 | V611-K613 PolarHBondContact O-N 3.25Å; V611-K613 VanDerWaalsContact O-N 3.11Å | ||
| 614 | T | 34.4 | Very low | 41.5 | Very low | 132 Ų | 132 | 126.4 Ų | 126.4 | 81% | 0.81 | 69% | 0.688 | S | S | * | * | trans | -106.9 | 95.1 | 172.9 | -43.2 | 0 | 0 | 0 | 0 | 110.6 | S612 | S612-T614 PolarHBondContact O-N 3.49Š| ||
| 615 | T | 29.8 | Very low | 40.2 | Very low | 136 Ų | 136 | 125 Ų | 125 | 83% | 0.834 | 69% | 0.686 | S | S | * | * | trans | -86.7 | 115.3 | 173.8 | -54.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 616 | Q | 32.9 | Very low | 39.1 | Very low | 186 Ų | 186 | 131.3 Ų | 131.3 | 87% | 0.869 | 71% | 0.708 | S | S | * | * | trans | -144.4 | 116.7 | 163.5 | -156.2 | 169.8 | 42.3 | 0 | 0 | 110.3 | ||||
| 617 | A | 29.4 | Very low | 37.3 | Very low | 91 Ų | 91 | 130.8 Ų | 130.8 | 75% | 0.752 | 71% | 0.711 | S | S | * | * | trans | -98.4 | 125.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 618 | Q | 29.2 | Very low | 35.7 | Very low | 193 Ų | 193 | 130 Ų | 130 | 90% | 0.902 | 72% | 0.722 | S | S | * | * | trans | -156.7 | 161.6 | 147.3 | -99.4 | -156.9 | -22.2 | 0 | 0 | 110 | ||||
| 619 | P | 32.3 | Very low | 34.4 | Very low | 100 Ų | 100 | 131.9 Ų | 131.9 | 65% | 0.649 | 73% | 0.731 | S | S | * | * | trans | -112.4 | 161.6 | -152.3 | 40.9 | -35.2 | 0 | 0 | 0 | 116.9 | ||||
| 620 | H | 27.2 | Very low | 33.5 | Very low | 185 Ų | 185 | 130.4 Ų | 130.4 | 86% | 0.856 | 73% | 0.733 | S | S | * | * | trans | 68.2 | 171.5 | 155 | -76.3 | -63.2 | 0 | 0 | 0 | 120.4 | ||||
| 621 | V | 27.4 | Very low | 32.6 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | trans | 84.4 | 73.5 | 165 | -161.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 622 | T | 27 | Very low | 31.8 | Very low | 138 Ų | 138 | 137.1 Ų | 137.1 | 85% | 0.847 | 76% | 0.761 | S | S | * | * | trans | 43.6 | 131.4 | 130.6 | 61.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 623 | G | 28.2 | Very low | 31.5 | Very low | 78 Ų | 78 | 140.1 Ų | 140.1 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | 153.9 | 97.8 | 133.1 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 624 | R | 29.2 | Very low | 31.3 | Very low | 240 Ų | 240 | 140.6 Ų | 140.6 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | 84 | 85 | 128.6 | -151.5 | 174.1 | -153.6 | 165.6 | 6.9 | 122 | |||||
| 625 | V | 31.5 | Very low | 31.1 | Very low | 113 Ų | 113 | 139.2 Ų | 139.2 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | 51.8 | 116 | 117.8 | -180 | 0 | 0 | 0 | 0 | 120.1 | E627 | V625-E627 HydrophobicContact CG1-CG 4.34Š| |||
| 626 | K | 32.6 | Very low | 31.4 | Very low | 169 Ų | 169 | 137.7 Ų | 137.7 | 74% | 0.735 | 76% | 0.757 | S | S | * | * | -159.2 | 119.4 | 107.5 | -97.4 | -160.3 | 174 | -113.1 | 0 | 108.9 | |||||
| 627 | E | 32.2 | Very low | 31.2 | Very low | 142 Ų | 142 | 138 Ų | 138 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | 70 | 125.7 | 88.2 | -71.3 | 168.6 | -160.7 | 0 | 0 | 112.5 | V625 | V625-E627 HydrophobicContact CG1-CG 4.34Š| |||
| 628 | A | 35.6 | Very low | 31.1 | Very low | 85 Ų | 85 | 141 Ų | 141 | 70% | 0.702 | 76% | 0.757 | S | S | * | * | cis | -150.3 | 152.3 | 12.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 629 | S | 32.5 | Very low | 31 | Very low | 104 Ų | 104 | 138 Ų | 138 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | trans | 38.8 | 134.6 | 134.7 | 63.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 630 | C | 32.6 | Very low | 30.8 | Very low | 95 Ų | 95 | 141.9 Ų | 141.9 | 64% | 0.642 | 75% | 0.753 | S | S | * | * | cis | -170.3 | -169.9 | 1.9 | -104.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 631 | E | 35.5 | Very low | 30.9 | Very low | 153 Ų | 153 | 138 Ų | 138 | 72% | 0.715 | 74% | 0.743 | S | S | * | * | cis | -146.2 | 144.4 | 1.1 | -119.9 | 115.4 | -130.7 | 0 | 0 | 105.7 | ||||
| 632 | E | 32.8 | Very low | 30.9 | Very low | 162 Ų | 162 | 140 Ų | 140 | 76% | 0.757 | 74% | 0.744 | S | S | * | * | 60.1 | 128.6 | 97.1 | -60.3 | -170.2 | -176.9 | 0 | 0 | 116.6 | |||||
| 633 | E | 33.3 | Very low | 31.1 | Very low | 163 Ų | 163 | 140 Ų | 140 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | cis | -155.4 | -161.3 | -3.4 | -131.7 | -165.5 | -175.4 | 0 | 0 | 115.9 | ||||
| 634 | E | 31.6 | Very low | 31.1 | Very low | 164 Ų | 164 | 143.7 Ų | 143.7 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | trans | -58.1 | 155.9 | -151.1 | -57.1 | -164.3 | 119.4 | 0 | 0 | 123.1 | ||||
| 635 | S | 31 | Very low | 31.3 | Very low | 103 Ų | 103 | 139.3 Ų | 139.3 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | trans | -97.8 | 155.9 | 148.6 | 71.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 636 | P | 34.8 | Very low | 31.1 | Very low | 104 Ų | 104 | 139.5 Ų | 139.5 | 68% | 0.675 | 74% | 0.742 | S | S | * | * | -161.4 | 167.8 | 87.7 | 40.6 | -20.3 | 0 | 0 | 0 | 119.3 | |||||
| 637 | K | 29.4 | Very low | 31 | Very low | 191 Ų | 191 | 136.9 Ų | 136.9 | 83% | 0.83 | 74% | 0.743 | S | S | * | * | trans | 23.4 | 137.5 | 143.7 | -56.3 | 170.3 | -177.6 | 173.3 | 0 | 121.2 | ||||
| 638 | L | 28.3 | Very low | 30.9 | Very low | 154 Ų | 154 | 135.1 Ų | 135.1 | 81% | 0.806 | 74% | 0.742 | S | S | * | * | 175.7 | 139.1 | 106.7 | -89.3 | 169.5 | 0 | 0 | 0 | 114.8 | |||||
| 639 | I | 27.2 | Very low | 30.6 | Very low | 130 Ų | 130 | 137.2 Ų | 137.2 | 67% | 0.667 | 75% | 0.747 | S | S | * | * | trans | -5.6 | 135.2 | 152.3 | -31.3 | 164.8 | 0 | 0 | 0 | 119.2 | ||||
| 640 | F | 27.5 | Very low | 30.5 | Very low | 182 Ų | 182 | 141.2 Ų | 141.2 | 80% | 0.798 | 75% | 0.754 | S | S | * | * | 177.2 | 165 | 112.7 | -106.7 | -86.3 | 0 | 0 | 0 | 116.6 | |||||
| 641 | T | 28.7 | Very low | 30.3 | Very low | 105 Ų | 105 | 143.4 Ų | 143.4 | 64% | 0.644 | 76% | 0.764 | S | S | * | * | trans | -52.3 | 144.2 | -166 | 47 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 642 | E | 27.9 | Very low | 30 | Very low | 165 Ų | 165 | 145 Ų | 145 | 77% | 0.771 | 77% | 0.771 | S | S | * | * | 7.1 | 129.9 | 122.2 | -178.8 | 179.1 | -140.2 | 0 | 0 | 119.6 | |||||
| 643 | T | 31.8 | Very low | 29.7 | Very low | 137 Ų | 137 | 145.4 Ų | 145.4 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | trans | -152.4 | 149.1 | 143.3 | -24.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 644 | Q | 28 | Very low | 29.7 | Very low | 157 Ų | 157 | 143.7 Ų | 143.7 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -93.5 | 153.1 | 178 | -59.1 | 172.5 | -0.3 | 0 | 0 | 112.9 | ||||
| 645 | T | 31.9 | Very low | 29.5 | Very low | 147 Ų | 147 | 145.1 Ų | 145.1 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | -151.8 | 151.3 | 149.9 | -37.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 646 | V | 28.8 | Very low | 29.6 | Very low | 118 Ų | 118 | 149.4 Ų | 149.4 | 72% | 0.715 | 80% | 0.797 | S | S | * | * | trans | -122.8 | 145.3 | -171.8 | 174.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 647 | C | 30.3 | Very low | 29.3 | Very low | 113 Ų | 113 | 155.1 Ų | 155.1 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | trans | 162.6 | 105.5 | 149.2 | -86.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 648 | T | 29.5 | Very low | 29.4 | Very low | 105 Ų | 105 | 149.2 Ų | 149.2 | 64% | 0.644 | 81% | 0.805 | S | S | * | * | 74 | 114.5 | 80.5 | 59.1 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 649 | T | 28.8 | Very low | 29.6 | Very low | 130 Ų | 130 | 148.1 Ų | 148.1 | 80% | 0.798 | 81% | 0.805 | S | S | * | * | trans | 54.8 | 139.9 | 139.6 | 61.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 650 | E | 30.9 | Very low | 29.7 | Very low | 188 Ų | 188 | 150.1 Ų | 150.1 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | cis | -147.7 | -166.6 | 38.9 | -75.8 | -174 | 136.7 | 0 | 0 | 113.5 | ||||
| 651 | V | 28.4 | Very low | 30.2 | Very low | 140 Ų | 140 | 150.3 Ų | 150.3 | 85% | 0.848 | 82% | 0.817 | S | S | * | * | trans | -103 | 135.6 | -171.5 | 173.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 652 | Q | 29.8 | Very low | 30.5 | Very low | 187 Ų | 187 | 151.1 Ų | 151.1 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | -158.9 | 150.8 | 139 | -134.5 | 167.7 | 6.7 | 0 | 0 | 114.2 | ||||
| 653 | E | 26.8 | Very low | 30.8 | Very low | 171 Ų | 171 | 151 Ų | 151 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | trans | -79.4 | 150.1 | 175.5 | -55.7 | 155 | 97.4 | 0 | 0 | 112 | ||||
| 654 | S | 32.3 | Very low | 30.7 | Very low | 127 Ų | 127 | 153 Ų | 153 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | 178.2 | 155.1 | 124.3 | -82.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 655 | Q | 28.1 | Very low | 31.1 | Very low | 194 Ų | 194 | 152.3 Ų | 152.3 | 91% | 0.907 | 82% | 0.82 | S | S | * | * | trans | -81.2 | 143.2 | -177.2 | -57 | 162.7 | -10.6 | 0 | 0 | 112.7 | ||||
| 656 | M | 32.2 | Very low | 31.2 | Very low | 193 Ų | 193 | 153.9 Ų | 153.9 | 95% | 0.951 | 82% | 0.82 | S | S | * | * | -165.8 | 155.6 | 125.8 | -119.9 | -174.2 | 163.3 | 0 | 0 | 113.9 | |||||
| 657 | F | 28.6 | Very low | 31.3 | Very low | 223 Ų | 223 | 153.9 Ų | 153.9 | 98% | 0.978 | 82% | 0.822 | S | S | * | * | trans | -77.8 | 154.1 | -179.7 | -92.3 | -115.3 | 0 | 0 | 0 | 113.7 | ||||
| 658 | G | 30.9 | Very low | 31.6 | Very low | 68 Ų | 68 | 153.2 Ų | 153.2 | 70% | 0.701 | 83% | 0.825 | S | S | * | * | trans | 175.2 | 91.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 659 | T | 32.9 | Very low | 31.7 | Very low | 130 Ų | 130 | 156.4 Ų | 156.4 | 80% | 0.798 | 83% | 0.833 | S | S | * | * | trans | -9.3 | 123.2 | 158.1 | 44.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 660 | E | 30.6 | Very low | 31.9 | Very low | 173 Ų | 173 | 155.9 Ų | 155.9 | 81% | 0.808 | 83% | 0.831 | S | S | * | * | 98.7 | 119.5 | 60.9 | 177.8 | -177.2 | -123.1 | 0 | 0 | 112.6 | |||||
| 661 | M | 36.2 | Very low | 32 | Very low | 185 Ų | 185 | 153 Ų | 153 | 91% | 0.911 | 83% | 0.831 | S | S | * | * | trans | -163.6 | 112.4 | 151 | -87.5 | -139.6 | 169.4 | 0 | 0 | 111.5 | ||||
| 662 | D | 35.2 | Very low | 32 | Very low | 123 Ų | 123 | 151.2 Ų | 151.2 | 66% | 0.658 | 82% | 0.824 | S | S | * | * | trans | 23.6 | 132.5 | 133.5 | -87.4 | 5.2 | 0 | 0 | 0 | 119.4 | ||||
| 663 | K | 34.5 | Very low | 32.4 | Very low | 161 Ų | 161 | 149.3 Ų | 149.3 | 70% | 0.7 | 83% | 0.825 | S | S | * | * | cis | -172.1 | 167 | 43.1 | -123.1 | 165.6 | -170.5 | 91.7 | 0 | 114.8 | ||||
| 664 | E | 29.9 | Very low | 32.8 | Very low | 179 Ų | 179 | 146.6 Ų | 146.6 | 84% | 0.836 | 82% | 0.822 | S | S | * | * | trans | 61.1 | 89.3 | 154.5 | -66.6 | -171.1 | 123.2 | 0 | 0 | 122.2 | ||||
| 665 | V | 35.8 | Very low | 32.6 | Very low | 143 Ų | 143 | 145.3 Ų | 145.3 | 87% | 0.867 | 82% | 0.819 | S | S | * | * | trans | -142.7 | 146.8 | 132.4 | -179.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 666 | M | 34.7 | Very low | 32.9 | Very low | 180 Ų | 180 | 142 Ų | 142 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | trans | -86.5 | 133.1 | -178.4 | -65.5 | -93.5 | 85.1 | 0 | 0 | 113.9 | ||||
| 667 | P | 31.5 | Very low | 33 | Very low | 118 Ų | 118 | 138.4 Ų | 138.4 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | trans | -109.5 | 157.3 | 165.9 | 38.4 | -30.7 | 0 | 0 | 0 | 113.2 | ||||
| 668 | A | 36 | Very low | 33.1 | Very low | 100 Ų | 100 | 134.3 Ų | 134.3 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | -161.7 | 141 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 669 | E | 32.6 | Very low | 33.3 | Very low | 172 Ų | 172 | 137.9 Ų | 137.9 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | cis | -161.2 | 126.8 | -22.1 | -166.1 | 176.8 | -122.8 | 0 | 0 | 108.4 | ||||
| 670 | P | 32.5 | Very low | 33.3 | Very low | 118 Ų | 118 | 135.5 Ų | 135.5 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | trans | -97.4 | 120 | 177.5 | 34 | -29.7 | 0 | 0 | 0 | 112.6 | S672 | P670-S672 PolarHBondContact O-N 2.72Š| ||
| 671 | C | 32.8 | Very low | 33.4 | Very low | 129 Ų | 129 | 130.9 Ų | 130.9 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | trans | -74.2 | 110.7 | 179.6 | -84.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 672 | S | 29.2 | Very low | 33.3 | Very low | 102 Ų | 102 | 129.5 Ų | 129.5 | 71% | 0.713 | 81% | 0.805 | S | S | * | * | trans | -149.5 | 116.9 | 166.2 | 58.3 | 0 | 0 | 0 | 0 | 111.7 | P670 | P670-S672 PolarHBondContact O-N 2.72Š| ||
| 673 | V | 38 | Very low | 33.3 | Very low | 146 Ų | 146 | 130.5 Ų | 130.5 | 89% | 0.885 | 82% | 0.816 | S | S | * | * | trans | -174.2 | 161.3 | 169.6 | -104.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 674 | P | 34.5 | Very low | 33.2 | Very low | 114 Ų | 114 | 132 Ų | 132 | 74% | 0.74 | 83% | 0.825 | S | S | * | * | cis | -127.7 | 151.9 | -9.3 | 33.2 | -16.2 | 0 | 0 | 0 | 114.8 | ||||
| 675 | A | 28.7 | Very low | 33.5 | Very low | 101 Ų | 101 | 128.4 Ų | 128.4 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | trans | -111.7 | 150 | 149.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 676 | C | 33.8 | Very low | 33.4 | Very low | 124 Ų | 124 | 128.2 Ų | 128.2 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | trans | -144 | 156.2 | -180 | -101.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 677 | P | 35.2 | Very low | 33.3 | Very low | 117 Ų | 117 | 125.9 Ų | 125.9 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | -113.5 | 171.2 | -118.1 | 39.9 | -37.9 | 0 | 0 | 0 | 116.4 | |||||
| 678 | T | 29.6 | Very low | 33.4 | Very low | 138 Ų | 138 | 126 Ų | 126 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | trans | -67.4 | 136.7 | 179 | -24.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 679 | T | 34.7 | Very low | 33.4 | Very low | 143 Ų | 143 | 124.7 Ų | 124.7 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | trans | -146.9 | 130.2 | 151.4 | -38.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 680 | G | 33 | Very low | 33.6 | Very low | 79 Ų | 79 | 122.7 Ų | 122.7 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | trans | -86.5 | -173.7 | -166.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 681 | G | 33.2 | Very low | 33.7 | Very low | 76 Ų | 76 | 123.2 Ų | 123.2 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | trans | 150.9 | 111.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 682 | D | 34 | Very low | 33.6 | Very low | 157 Ų | 157 | 125.6 Ų | 125.6 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | -70.2 | 139.8 | 179.1 | -42.4 | -87.6 | 0 | 0 | 0 | 111.7 | ||||
| 683 | T | 36.1 | Very low | 34 | Very low | 143 Ų | 143 | 127.2 Ų | 127.2 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | -175.9 | 143.8 | 126.5 | 17.9 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 684 | E | 32.1 | Very low | 33.8 | Very low | 193 Ų | 193 | 127.9 Ų | 127.9 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | -87.7 | 108.1 | 179.2 | 177.4 | -179.2 | -145.3 | 0 | 0 | 110.5 | ||||
| 685 | S | 34.7 | Very low | 34 | Very low | 104 Ų | 104 | 129.2 Ų | 129.2 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -160.3 | 108.7 | 170.3 | -66.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 686 | D | 33.8 | Very low | 34.3 | Very low | 139 Ų | 139 | 129.9 Ų | 129.9 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | trans | 23.6 | 103 | 140.9 | -170.8 | 17.8 | 0 | 0 | 0 | 119.3 | ||||
| 687 | L | 32.4 | Very low | 34.6 | Very low | 130 Ų | 130 | 132 Ų | 132 | 68% | 0.681 | 80% | 0.803 | S | S | * | * | trans | -138.6 | 65.9 | 164 | -79.1 | -179.7 | 0 | 0 | 0 | 113 | A689 L690 | L687-A689 HydrophobicContact CD2-CB 4.19Å; L687-A689 PolarHBondContact O-N 3.13Å; L687-L690 HydrophobicContact CD1-CD1 4.13Å | ||
| 688 | S | 35.1 | Very low | 34.7 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 52.9 | 162.4 | 70.8 | 0 | 0 | 0 | 0 | 112.4 | ||
| 689 | A | 35.8 | Very low | 35.4 | Very low | 74 Ų | 74 | 130.8 Ų | 130.8 | 61% | 0.612 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.1 | 4.2 | -158.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | L687 | L687-A689 HydrophobicContact CD2-CB 4.19Å; L687-A689 PolarHBondContact O-N 3.13Å |
| 690 | L | 35.7 | Very low | 36.6 | Very low | 129 Ų | 129 | 127.4 Ų | 127.4 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | trans | -121.8 | 22.4 | -168.5 | -97 | 136.1 | 0 | 0 | 0 | 117.3 | L687 Q692 | L687-L690 HydrophobicContact CD1-CD1 4.13Å; L690-Q692 PolarHBondContact O-N 2.76Å; L690-Q692 VanDerWaalsContact O-N 3.14Å | ||
| 691 | C | 34.7 | Very low | 37.3 | Very low | 130 Ų | 130 | 127.1 Ų | 127.1 | 88% | 0.878 | 76% | 0.761 | S | S | * | * | trans | -84.9 | 51.5 | 166.8 | -64.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 692 | Q | 32 | Very low | 38.4 | Very low | 179 Ų | 179 | 128 Ų | 128 | 84% | 0.836 | 75% | 0.75 | S | S | * | * | trans | -166.3 | 93.9 | 174.3 | -115.7 | 157.1 | 105.1 | 0 | 0 | 114.4 | L690 | L690-Q692 PolarHBondContact O-N 2.76Å; L690-Q692 VanDerWaalsContact O-N 3.14Å | ||
| 693 | T | 36.4 | Very low | 39.6 | Very low | 135 Ų | 135 | 122.2 Ų | 122.2 | 83% | 0.828 | 72% | 0.724 | S | S | * | * | trans | -170.2 | 141.7 | 144.7 | 13.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 694 | N | 34.9 | Very low | 40.7 | Very low | 160 Ų | 160 | 120.2 Ų | 120.2 | 86% | 0.856 | 71% | 0.705 | S | S | * | * | trans | -113.7 | 135.8 | 176.9 | -71.4 | -89.6 | 0 | 0 | 0 | 110.2 | ||||
| 695 | T | 37.9 | Very low | 42.4 | Very low | 142 Ų | 142 | 117.2 Ų | 117.2 | 87% | 0.871 | 69% | 0.691 | S | S | * | * | trans | -161.4 | 157.5 | 151.7 | 18.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 696 | P | 36.2 | Very low | 43.9 | Very low | 116 Ų | 116 | 121.2 Ų | 121.2 | 75% | 0.753 | 69% | 0.69 | S | S | * | * | -116.9 | 148.2 | -126.7 | 39.4 | -32.3 | 0 | 0 | 0 | 117 | |||||
| 697 | I | 39.5 | Very low | 44.9 | Very low | 169 Ų | 169 | 123.5 Ų | 123.5 | 87% | 0.867 | 69% | 0.688 | S | S | * | * | trans | -78.8 | 139.6 | 168.4 | -63 | 175.1 | 0 | 0 | 0 | 110.5 | S699 | I697-S699 PolarHBondContact O-N 2.86Š| ||
| 698 | L | 38 | Very low | 46.1 | Very low | 174 Ų | 174 | 121.7 Ų | 121.7 | 91% | 0.911 | 69% | 0.687 | S | S | * | * | trans | -64.5 | 112.5 | -172.3 | -67.4 | 169.9 | 0 | 0 | 0 | 113.7 | ||||
| 699 | S | 44.3 | Very low | 47 | Very low | 55 Ų | 55 | 120.6 Ų | 120.6 | 39% | 0.385 | 68% | 0.675 | S | S | . | * | trans | -83.1 | 129.6 | 170.5 | 175.4 | 0 | 0 | 0 | 0 | 110.6 | I697 E704 | I697-S699 PolarHBondContact O-N 2.86Å; S699-E704 WeakPolarHBondContact CB-OE1 3.31Å; S699-E704 WeakPolarHBondContact OG-CG 3.17Å; S699-E704 PolarHBondContact OG-OE1 3.4Å | ||
| 700 | S | 58.9 | Low | 47.4 | Very low | 72 Ų | 72 | 126.7 Ų | 126.7 | 50% | 0.503 | 68% | 0.682 | S | S | . | * | trans | -70.5 | 135.5 | 173.9 | 178.3 | 0 | 0 | 0 | 0 | 111.2 | V702 A703 E704 | S700-V702 PolarHBondContact O-N 3.32Å; S700-V702 PolarHBondContact OG-N 2.94Å; S700-A703 WeakPolarHBondContact O-CA 3.21Å; S700-A703 VanDerWaalsContact O-CB 3.29Å; S700-A703 WeakPolarHBondContact O-CB 3.36Å; S700-A703 PolarHBondContact O-N 3.33Å; S700-E704 PolarHBondContact O-N 3.24Å | ||
| 701 | A | 48.8 | Very low | 47.7 | Very low | 73 Ų | 73 | 126.9 Ų | 126.9 | 60% | 0.603 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -54.2 | -26.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | E704 H705 | A701-E704 PolarHBondContact O-N 3.25Å; A701-H705 WeakPolarHBondContact O-CB 3.44Å; A701-H705 PolarHBondContact O-N 3.14Å |
| 702 | V | 54.7 | Low | 47.6 | Very low | 94 Ų | 94 | 126.3 Ų | 126.3 | 57% | 0.57 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -70.8 | -31.2 | 174.3 | -176.8 | 0 | 0 | 0 | 0 | 111.9 | S700 R706 | S700-V702 PolarHBondContact O-N 3.32Å; S700-V702 PolarHBondContact OG-N 2.94Å; V702-R706 WeakPolarHBondContact O-CB 3.42Å; V702-R706 VanDerWaalsContact O-CG 3.28Å; V702-R706 WeakPolarHBondContact O-CG 3.27Å; V702-R706 PolarHBondContact O-N 2.91Å |
| 703 | A | 60.9 | Low | 47.9 | Very low | 35 Ų | 35 | 129.8 Ų | 129.8 | 29% | 0.289 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -74 | -39.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S700 R706 R707 | S700-A703 WeakPolarHBondContact O-CA 3.21Å; S700-A703 VanDerWaalsContact O-CB 3.29Å; S700-A703 WeakPolarHBondContact O-CB 3.36Å; S700-A703 PolarHBondContact O-N 3.33Å; A703-R706 PolarHBondContact O-N 3.4Å; A703-R707 VanDerWaalsContact O-CG 3.31Å; A703-R707 WeakPolarHBondContact O-CG 3.35Å; A703-R707 PolarHBondContact O-N 3.32Å; A703-R707 VanDerWaalsContact O-N 3.14Å |
| 704 | E | 59.1 | Low | 47.9 | Very low | 102 Ų | 102 | 135.2 Ų | 135.2 | 48% | 0.477 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -68.5 | -45.4 | 177.4 | -75.8 | 168.6 | -166.4 | 0 | 0 | 112.6 | S699 S700 A701 R706 R707 S708 | S699-E704 WeakPolarHBondContact CB-OE1 3.31Å; S699-E704 WeakPolarHBondContact OG-CG 3.17Å; S699-E704 PolarHBondContact OG-OE1 3.4Å; S700-E704 PolarHBondContact O-N 3.24Å; A701-E704 PolarHBondContact O-N 3.25Å; E704-R706 PolarHBondContact O-N 3.29Å; E704-R707 WeakPolarHBondContact O-CA 3.42Å; E704-R707 WeakPolarHBondContact O-CB 3.45Å; E704-R707 PolarHBondContact O-N 2.89Å; E704-S708 PolarHBondContact O-N 3.01Å; E704-S708 PolarHBondContact O-OG 3.28Å |
| 705 | H | 67.9 | Low | 48 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 60% | 0.597 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -59.2 | -32.7 | 173.3 | -172.9 | 80.3 | 0 | 0 | 0 | 112.2 | A701 R707 S708 V709 | A701-H705 WeakPolarHBondContact O-CB 3.44Å; A701-H705 PolarHBondContact O-N 3.14Å; H705-R707 VanDerWaalsContact C-N 3.33Å; H705-S708 PolarHBondContact O-OG 2.84Å; H705-V709 VanDerWaalsContact O-CG2 3.29Å; H705-V709 WeakPolarHBondContact O-CG2 3.49Å |
| 706 | R | 65.1 | Low | 48.1 | Very low | 188 Ų | 188 | 137.3 Ų | 137.3 | 71% | 0.709 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -75.1 | -17.5 | 173.4 | -78.3 | 176.7 | 167.5 | -170.8 | -2.7 | 114.3 | V702 A703 E704 | V702-R706 WeakPolarHBondContact O-CB 3.42Å; V702-R706 VanDerWaalsContact O-CG 3.28Å; V702-R706 WeakPolarHBondContact O-CG 3.27Å; V702-R706 PolarHBondContact O-N 2.91Å; A703-R706 PolarHBondContact O-N 3.4Å; E704-R706 PolarHBondContact O-N 3.29Å |
| 707 | R | 54.5 | Low | 48.1 | Very low | 187 Ų | 187 | 135.3 Ų | 135.3 | 71% | 0.706 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -88.3 | -39.4 | 174.3 | -69.1 | 168.9 | -167 | -158.7 | 5.3 | 111.6 | A703 E704 H705 | A703-R707 VanDerWaalsContact O-CG 3.31Å; A703-R707 WeakPolarHBondContact O-CG 3.35Å; A703-R707 PolarHBondContact O-N 3.32Å; A703-R707 VanDerWaalsContact O-N 3.14Å; E704-R707 WeakPolarHBondContact O-CA 3.42Å; E704-R707 WeakPolarHBondContact O-CB 3.45Å; E704-R707 PolarHBondContact O-N 2.89Å; H705-R707 VanDerWaalsContact C-N 3.33Å |
| 708 | S | 57.2 | Low | 48.4 | Very low | 93 Ų | 93 | 133.3 Ų | 133.3 | 65% | 0.65 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -75.2 | -21.6 | -175.6 | 58.9 | 0 | 0 | 0 | 0 | 115.3 | E704 H705 | E704-S708 PolarHBondContact O-N 3.01Å; E704-S708 PolarHBondContact O-OG 3.28Å; H705-S708 PolarHBondContact O-OG 2.84Å |
| 709 | V | 53.9 | Low | 49 | Very low | 97 Ų | 97 | 136.3 Ų | 136.3 | 59% | 0.588 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | 12.6 | -172.9 | -176.7 | 0 | 0 | 0 | 0 | 113.6 | H705 | H705-V709 VanDerWaalsContact O-CG2 3.29Å; H705-V709 WeakPolarHBondContact O-CG2 3.49Å |
| 710 | R | 44 | Very low | 49.3 | Very low | 202 Ų | 202 | 137.8 Ų | 137.8 | 76% | 0.762 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -102.1 | 116.9 | 178.5 | -78.9 | -176.3 | 167.8 | 171.1 | -1.4 | 112.5 | ||
| 711 | P | 42.5 | Very low | 49.3 | Very low | 133 Ų | 133 | 137.6 Ų | 137.6 | 86% | 0.864 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -62 | 137 | -177.4 | -25.1 | 34.7 | 0 | 0 | 0 | 114.1 | ||
| 712 | S | 33.6 | Very low | 49.5 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 128.7 | 178.5 | 52.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 713 | R | 37.9 | Very low | 49.8 | Very low | 253 Ų | 253 | 144.8 Ų | 144.8 | 96% | 0.955 | 71% | 0.713 | S | S | * | * | trans | -138.6 | 120.1 | 157.7 | -87.3 | -164.9 | 168.5 | -160.3 | -4.2 | 110.2 | ||||
| 714 | R | 35.6 | Very low | 50 | Low | 248 Ų | 248 | 145.8 Ų | 145.8 | 94% | 0.936 | 72% | 0.722 | S | S | * | * | trans | -70.4 | 139.4 | 170.7 | -77.2 | 168.9 | 151.2 | 177 | -8.2 | 110.5 | ||||
| 715 | T | 38.3 | Very low | 49.9 | Very low | 145 Ų | 145 | 145.7 Ų | 145.7 | 89% | 0.89 | 72% | 0.724 | S | S | * | * | trans | -156.2 | 150.5 | 139.9 | 8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 716 | Q | 39.3 | Very low | 49.5 | Very low | 201 Ų | 201 | 144 Ų | 144 | 94% | 0.939 | 73% | 0.733 | S | S | * | * | trans | -72.2 | 158.4 | 173.9 | -62.8 | 158.1 | -41.8 | 0 | 0 | 110.4 | ||||
| 717 | G | 37.2 | Very low | 49.7 | Very low | 74 Ų | 74 | 138.8 Ų | 138.8 | 76% | 0.763 | 73% | 0.73 | S | S | * | * | cis | 170.1 | 114.9 | -5.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | R719 | G717-R719 PolarHBondContact O-N 3.13Š| ||
| 718 | S | 44.1 | Very low | 50.5 | Low | 127 Ų | 127 | 135.9 Ų | 135.9 | 89% | 0.888 | 72% | 0.719 | S | S | * | * | trans | -89.6 | 105 | -169.8 | 50.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 719 | R | 51.5 | Low | 50.4 | Low | 237 Ų | 237 | 139.7 Ų | 139.7 | 89% | 0.894 | 73% | 0.726 | S | S | * | * | trans | -76.4 | 146.5 | 160.2 | -82.3 | -179.9 | 160.9 | 167.4 | -7.2 | 109.7 | G717 | G717-R719 PolarHBondContact O-N 3.13Š| ||
| 720 | N | 50.9 | Low | 50.9 | Low | 87 Ų | 87 | 139.3 Ų | 139.3 | 47% | 0.465 | 72% | 0.721 | S | S | . | * | trans | -58.4 | 127 | -177.4 | 177.9 | -23.4 | 0 | 0 | 0 | 110.7 | L722 R723 A724 | N720-L722 VanDerWaalsContact C-N 3.28Å; N720-L722 PolarHBondContact O-N 2.91Å; N720-L722 WeakPolarHBondContact OD1-CB 3.38Å; N720-L722 PolarHBondContact OD1-N 3.26Å; N720-R723 PolarHBondContact O-N 3.15Å; N720-A724 PolarHBondContact O-N 2.87Å | ||
| 721 | P | 59.3 | Low | 51.4 | Low | 67 Ų | 67 | 134.7 Ų | 134.7 | 44% | 0.435 | 71% | 0.71 | S | S | . | * | H | α-helix | trans | -62.1 | -29.6 | -177.7 | 25.6 | -35.2 | 0 | 0 | 0 | 113.8 | A724 L725 | P721-A724 CarbonylContact O-C 3.58Å; P721-A724 WeakPolarHBondContact O-CA 3.44Å; P721-A724 WeakPolarHBondContact O-CB 3.33Å; P721-A724 PolarHBondContact O-N 3.23Å; P721-L725 PolarHBondContact O-N 3.27Å |
| 722 | L | 52.3 | Low | 51.6 | Low | 108 Ų | 108 | 136.2 Ų | 136.2 | 57% | 0.565 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -65.9 | -40.3 | 176.7 | -61.7 | 175 | 0 | 0 | 0 | 111.3 | N720 A724 L725 A726 | N720-L722 VanDerWaalsContact C-N 3.28Å; N720-L722 PolarHBondContact O-N 2.91Å; N720-L722 WeakPolarHBondContact OD1-CB 3.38Å; N720-L722 PolarHBondContact OD1-N 3.26Å; L722-A724 PolarHBondContact O-N 3.03Å; L722-L725 PolarHBondContact O-N 2.76Å; L722-A726 WeakPolarHBondContact O-CB 3.4Å; L722-A726 PolarHBondContact O-N 2.87Å |
| 723 | R | 60.8 | Low | 52.3 | Low | 210 Ų | 210 | 138.3 Ų | 138.3 | 79% | 0.792 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -69.5 | -17.9 | 170.4 | -88.3 | -172.4 | 174.2 | 170.9 | -0.8 | 113.8 | N720 A727 | N720-R723 PolarHBondContact O-N 3.15Å; R723-A727 WeakPolarHBondContact O-CB 3.48Å |
| 724 | A | 64.4 | Low | 52.7 | Low | 57 Ų | 57 | 133.4 Ų | 133.4 | 47% | 0.471 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -88.3 | -20.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | N720 P721 L722 | N720-A724 PolarHBondContact O-N 2.87Å; P721-A724 CarbonylContact O-C 3.58Å; P721-A724 WeakPolarHBondContact O-CA 3.44Å; P721-A724 WeakPolarHBondContact O-CB 3.33Å; P721-A724 PolarHBondContact O-N 3.23Å; L722-A724 PolarHBondContact O-N 3.03Å |
| 725 | L | 57.8 | Low | 52.8 | Low | 100 Ų | 100 | 131.2 Ų | 131.2 | 52% | 0.524 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -87.4 | -42.3 | 171.9 | -72.2 | 167.7 | 0 | 0 | 0 | 111.5 | P721 L722 A727 R728 | P721-L725 PolarHBondContact O-N 3.27Å; L722-L725 PolarHBondContact O-N 2.76Å; L725-A727 PolarHBondContact O-N 2.79Å; L725-A727 VanDerWaalsContact O-N 3.1Å; L725-R728 WeakPolarHBondContact O-CB 3.25Å; L725-R728 PolarHBondContact O-N 2.78Å; L725-R728 VanDerWaalsContact O-N 3.16Å |
| 726 | A | 60.2 | Low | 52.7 | Low | 93 Ų | 93 | 130.9 Ų | 130.9 | 77% | 0.769 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -6.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L722 | L722-A726 WeakPolarHBondContact O-CB 3.4Å; L722-A726 PolarHBondContact O-N 2.87Å |
| 727 | A | 68 | Low | 52.5 | Low | 79 Ų | 79 | 129.1 Ų | 129.1 | 65% | 0.653 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | 21.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R723 L725 | R723-A727 WeakPolarHBondContact O-CB 3.48Å; L725-A727 PolarHBondContact O-N 2.79Å; L725-A727 VanDerWaalsContact O-N 3.1Å |
| 728 | R | 70.8 | Confident | 52.3 | Low | 126 Ų | 126 | 130.9 Ų | 130.9 | 48% | 0.475 | 67% | 0.673 | S | S | . | * | trans | -103.2 | 100.7 | 176.1 | -82.6 | -170.9 | 80.1 | 155.6 | 3.6 | 111.5 | L725 D730 I731 | L725-R728 WeakPolarHBondContact O-CB 3.25Å; L725-R728 PolarHBondContact O-N 2.78Å; L725-R728 VanDerWaalsContact O-N 3.16Å; R728-D730 VanDerWaalsContact CB-OD1 3.28Å; R728-D730 WeakPolarHBondContact CB-OD1 3.32Å; R728-D730 IonicContact CZ-OD1 3.89Å; R728-D730 IonicContact CZ-OD2 3.77Å; R728-D730 IonicContact NE-OD1 3.59Å; R728-D730 PolarHBondContact NE-OD1 3.31Å; R728-D730 IonicContact NE-OD2 2.62Å; R728-D730 PolarHBondContact NE-OD2 2.76Å; R728-D730 IonicContact NH2-OD1 3.51Å; R728-D730 IonicContact NH2-OD2 2.81Å; R728-D730 PolarHBondContact NH2-OD2 3.32Å; R728-D730 PolarHBondContact O-N 2.85Å; R728-I731 HydrophobicContact CB-CD1 3.88Å; R728-I731 HydrophobicContact CB-CG1 4.16Å | ||
| 729 | E | 56.7 | Low | 51.6 | Low | 172 Ų | 172 | 134 Ų | 134 | 80% | 0.804 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -64.6 | -22 | 175.3 | -62.8 | 172.9 | 166.5 | 0 | 0 | 112.3 | I731 | E729-I731 VanDerWaalsContact C-N 3.29Å; E729-I731 PolarHBondContact O-N 2.87Å |
| 730 | D | 63.9 | Low | 50.8 | Low | 89 Ų | 89 | 130.8 Ų | 130.8 | 48% | 0.476 | 67% | 0.669 | S | S | . | * | G | 310 helix | trans | -76.5 | -7.6 | -176.7 | 66.2 | -47.6 | 0 | 0 | 0 | 114.9 | R728 | R728-D730 VanDerWaalsContact CB-OD1 3.28Å; R728-D730 WeakPolarHBondContact CB-OD1 3.32Å; R728-D730 IonicContact CZ-OD1 3.89Å; R728-D730 IonicContact CZ-OD2 3.77Å; R728-D730 IonicContact NE-OD1 3.59Å; R728-D730 PolarHBondContact NE-OD1 3.31Å; R728-D730 IonicContact NE-OD2 2.62Å; R728-D730 PolarHBondContact NE-OD2 2.76Å; R728-D730 IonicContact NH2-OD1 3.51Å; R728-D730 IonicContact NH2-OD2 2.81Å; R728-D730 PolarHBondContact NH2-OD2 3.32Å; R728-D730 PolarHBondContact O-N 2.85Å |
| 731 | I | 55.2 | Low | 49.8 | Very low | 105 Ų | 105 | 132.8 Ų | 132.8 | 54% | 0.538 | 68% | 0.679 | S | S | . | * | G | 310 helix | trans | -89.4 | -9.2 | 179.8 | -61.8 | 176.1 | 0 | 0 | 0 | 112 | R728 E729 | R728-I731 HydrophobicContact CB-CD1 3.88Å; R728-I731 HydrophobicContact CB-CG1 4.16Å; E729-I731 VanDerWaalsContact C-N 3.29Å; E729-I731 PolarHBondContact O-N 2.87Å |
| 732 | Q | 46.3 | Very low | 48.6 | Very low | 166 Ų | 166 | 134.9 Ų | 134.9 | 78% | 0.776 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -89.6 | 2.3 | -176.9 | -67.7 | -170.7 | -19 | 0 | 0 | 115.3 | ||
| 733 | Q | 47.2 | Very low | 47.4 | Very low | 161 Ų | 161 | 138.2 Ų | 138.2 | 75% | 0.752 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -111.6 | -14.5 | -170.4 | -66.8 | -172.4 | -14.1 | 0 | 0 | 116.1 | ||
| 734 | D | 46.6 | Very low | 46.2 | Very low | 149 Ų | 149 | 136 Ų | 136 | 80% | 0.797 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -89.2 | 3.5 | -176.4 | -79.7 | -19.5 | 0 | 0 | 0 | 114.9 | ||
| 735 | F | 38.9 | Very low | 44.7 | Very low | 203 Ų | 203 | 141.7 Ų | 141.7 | 89% | 0.89 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -134.4 | 37.5 | -173 | -98.9 | -84.9 | 0 | 0 | 0 | 114.6 | ||
| 736 | M | 35.4 | Very low | 43.4 | Very low | 137 Ų | 137 | 143.1 Ų | 143.1 | 68% | 0.675 | 73% | 0.734 | S | S | * | * | trans | -137.1 | 106.9 | 177.6 | -79.1 | -66.7 | -74.6 | 0 | 0 | 114.8 | ||||
| 737 | Q | 34.1 | Very low | 42.1 | Very low | 164 Ų | 164 | 145.3 Ų | 145.3 | 77% | 0.766 | 73% | 0.733 | S | S | * | * | trans | 66.2 | 169.5 | 148.3 | -65.8 | -167.2 | 9.8 | 0 | 0 | 119.1 | ||||
| 738 | P | 34.7 | Very low | 40.4 | Very low | 112 Ų | 112 | 148.3 Ų | 148.3 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | cis | -120.8 | 170.9 | -7.2 | 20.5 | 2.4 | 0 | 0 | 0 | 115.1 | ||||
| 739 | E | 28.8 | Very low | 38.4 | Very low | 192 Ų | 192 | 146.5 Ų | 146.5 | 90% | 0.897 | 76% | 0.755 | S | S | * | * | trans | -102.2 | 149.4 | 160.7 | -66.3 | -163.9 | 150.4 | 0 | 0 | 110.9 | ||||
| 740 | E | 33.9 | Very low | 37.3 | Very low | 170 Ų | 170 | 147.2 Ų | 147.2 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | trans | -145.3 | 110.7 | 161.7 | -78.4 | -152 | 102.3 | 0 | 0 | 113.5 | ||||
| 741 | N | 30.3 | Very low | 35.6 | Very low | 129 Ų | 129 | 152.1 Ų | 152.1 | 69% | 0.69 | 78% | 0.778 | S | S | * | * | 66.9 | 149.7 | 124.9 | -56.8 | -38 | 0 | 0 | 0 | 123.5 | |||||
| 742 | S | 33.3 | Very low | 34.6 | Very low | 111 Ų | 111 | 154.1 Ų | 154.1 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | 88.7 | 101.6 | 172.3 | -35.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 743 | E | 29.1 | Very low | 33.9 | Very low | 178 Ų | 178 | 150.3 Ų | 150.3 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | 85.9 | 145.5 | 53.9 | -69.2 | -159.5 | 146.7 | 0 | 0 | 115.5 | |||||
| 744 | M | 33.6 | Very low | 33.2 | Very low | 164 Ų | 164 | 149.9 Ų | 149.9 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | trans | 67.4 | 147.7 | -173.9 | -104.9 | 158.7 | -81.6 | 0 | 0 | 115.4 | ||||
| 745 | E | 33 | Very low | 32.5 | Very low | 176 Ų | 176 | 147.5 Ų | 147.5 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | cis | -142.7 | 174 | 7.4 | -165.7 | 162.9 | -156.2 | 0 | 0 | 113.1 | ||||
| 746 | N | 31.9 | Very low | 32.2 | Very low | 130 Ų | 130 | 144.2 Ų | 144.2 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | trans | -92.5 | 157.3 | -160.7 | -79.8 | -67.6 | 0 | 0 | 0 | 117.6 | ||||
| 747 | N | 31.6 | Very low | 32.3 | Very low | 138 Ų | 138 | 143.6 Ų | 143.6 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | trans | 55.5 | 116.9 | 140.9 | -63.8 | -26.9 | 0 | 0 | 0 | 122.2 | ||||
| 748 | T | 33.6 | Very low | 32.2 | Very low | 143 Ų | 143 | 139.9 Ų | 139.9 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | 169.3 | 137.9 | 115.1 | 33.5 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 749 | A | 28.8 | Very low | 32.1 | Very low | 88 Ų | 88 | 141.7 Ų | 141.7 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | cis | 113.8 | 83.4 | 11.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 750 | M | 33 | Very low | 32.5 | Very low | 187 Ų | 187 | 137.9 Ų | 137.9 | 92% | 0.921 | 77% | 0.772 | S | S | * | * | trans | -156.8 | 125.1 | 144.2 | -72.6 | -150.8 | 178.2 | 0 | 0 | 107.3 | ||||
| 751 | K | 29.4 | Very low | 32.4 | Very low | 192 Ų | 192 | 136 Ų | 136 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | cis | 81.3 | 108.6 | 48.1 | -78.1 | -165 | 171 | -175.5 | 0 | 115.2 | ||||
| 752 | N | 33.3 | Very low | 32.6 | Very low | 147 Ų | 147 | 135.8 Ų | 135.8 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | 172.5 | 106.1 | 127 | -81.2 | -7.5 | 0 | 0 | 0 | 106.7 | |||||
| 753 | S | 32.4 | Very low | 32.6 | Very low | 86 Ų | 86 | 136.5 Ų | 136.5 | 60% | 0.601 | 79% | 0.786 | S | S | * | * | 66.8 | 126.7 | 78.7 | 70.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 754 | N | 32 | Very low | 32.7 | Very low | 151 Ų | 151 | 131.4 Ų | 131.4 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | cis | -122.2 | 145.3 | 37.3 | -65.5 | -24.1 | 0 | 0 | 0 | 112.4 | ||||
| 755 | C | 32 | Very low | 32.7 | Very low | 99 Ų | 99 | 134.2 Ų | 134.2 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | cis | 85.1 | 133.6 | 48.5 | -63.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 756 | T | 32.3 | Very low | 32.6 | Very low | 135 Ų | 135 | 133.3 Ų | 133.3 | 83% | 0.828 | 79% | 0.788 | S | S | * | * | cis | -158.1 | 166.7 | 5.8 | 4.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 757 | P | 36.6 | Very low | 32.6 | Very low | 123 Ų | 123 | 132.1 Ų | 132.1 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | trans | -128.2 | 174.7 | -155.7 | 45.2 | -34.1 | 0 | 0 | 0 | 118.4 | ||||
| 758 | A | 32.1 | Very low | 32.9 | Very low | 87 Ų | 87 | 134.6 Ų | 134.6 | 72% | 0.719 | 79% | 0.794 | S | S | * | * | trans | -161.6 | 151.2 | 149.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 759 | D | 32.5 | Very low | 33.2 | Very low | 149 Ų | 149 | 132.6 Ų | 132.6 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | cis | -151 | 145.4 | -6.5 | -123.7 | -11.2 | 0 | 0 | 0 | 113.5 | ||||
| 760 | V | 36.8 | Very low | 34.6 | Very low | 113 Ų | 113 | 133 Ų | 133 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | trans | 47.5 | 110.5 | 142 | 174.1 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 761 | T | 33.1 | Very low | 36 | Very low | 129 Ų | 129 | 125.9 Ų | 125.9 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | trans | 58.2 | 112.2 | 147.7 | 58.8 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 762 | S | 34.6 | Very low | 38.1 | Very low | 126 Ų | 126 | 117.1 Ų | 117.1 | 88% | 0.881 | 71% | 0.707 | S | S | * | * | -157.6 | 163.9 | 95.9 | 60.2 | 0 | 0 | 0 | 0 | 110 | |||||
| 763 | S | 33.5 | Very low | 40.1 | Very low | 126 Ų | 126 | 112.5 Ų | 112.5 | 88% | 0.881 | 68% | 0.679 | S | S | * | * | trans | -110.8 | 118.8 | -167.5 | 65 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 764 | G | 31.1 | Very low | 42.5 | Very low | 70 Ų | 70 | 111.4 Ų | 111.4 | 72% | 0.722 | 66% | 0.664 | S | S | * | * | trans | -147.8 | 124.7 | 164 | 0 | 0 | 0 | 0 | 0 | 110.8 | L766 | G764-L766 VanDerWaalsContact C-N 3.29Å; G764-L766 PolarHBondContact O-N 3.06Å | ||
| 765 | K | 32.5 | Very low | 45.1 | Very low | 223 Ų | 223 | 112.1 Ų | 112.1 | 97% | 0.97 | 66% | 0.66 | S | S | * | * | trans | -79.8 | 74.5 | 176.3 | -74.1 | -177.2 | 178.7 | 175.6 | 0 | 110.5 | ||||
| 766 | L | 31.5 | Very low | 48.1 | Very low | 158 Ų | 158 | 109.2 Ų | 109.2 | 83% | 0.827 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -84 | 148.7 | 167.8 | -147.1 | 69.5 | 0 | 0 | 0 | 110.2 | G764 | G764-L766 VanDerWaalsContact C-N 3.29Å; G764-L766 PolarHBondContact O-N 3.06Å |
| 767 | S | 32.9 | Very low | 51.1 | Low | 104 Ų | 104 | 102.8 Ų | 102.8 | 73% | 0.727 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 140.6 | 173.1 | 35.9 | 0 | 0 | 0 | 0 | 110.4 | ||
| 768 | K | 37.6 | Very low | 53.9 | Low | 190 Ų | 190 | 97 Ų | 97 | 83% | 0.826 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 132.8 | 171.6 | -68.5 | -175.5 | 177.3 | -175.4 | 0 | 108.4 | T770 | K768-T770 PolarHBondContact O-N 3Š|
| 769 | P | 38.9 | Very low | 57 | Low | 102 Ų | 102 | 92.8 Ų | 92.8 | 66% | 0.662 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 124.3 | 174.7 | 24.9 | -32.8 | 0 | 0 | 0 | 109 | V771 | P769-V771 PolarHBondContact O-N 3.44Š|
| 770 | T | 58.3 | Low | 60 | Low | 95 Ų | 95 | 86.1 Ų | 86.1 | 58% | 0.583 | 49% | 0.49 | S | S | * | . | trans | -72.1 | -13.4 | 176.8 | -33.8 | 0 | 0 | 0 | 0 | 112.1 | K768 F1000 | K768-T770 PolarHBondContact O-N 3Å; T770-F1000 HydrophobicContact CG2-CD2 4.5Å; T770-F1000 HydrophobicContact CG2-CE2 4.19Å | ||
| 771 | V | 62.4 | Low | 62.8 | Low | 38 Ų | 38 | 80.7 Ų | 80.7 | 23% | 0.23 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -82.8 | 137.4 | -169.8 | -175 | 0 | 0 | 0 | 0 | 111.1 | P769 Y773 T1005 | P769-V771 PolarHBondContact O-N 3.44Å; V771-Y773 PolarHBondContact O-N 2.93Å; V771-T1005 HydrophobicContact CG1-CG2 3.43Å; V771-T1005 VanDerWaalsContact CG1-CG2 3.43Å |
| 772 | P | 73.7 | Confident | 65.7 | Low | 9 Ų | 9 | 75.1 Ų | 75.1 | 6% | 0.058 | 42% | 0.422 | C | S | . | . | trans | -55.6 | 127.8 | 170 | -26.4 | 36.7 | 0 | 0 | 0 | 112.2 | Y937 L995 G997 R998 V999 | P772-Y937 HydrophobicContact CB-CE1 4.38Å; P772-Y937 HydrophobicContact CG-CD1 4.48Å; P772-Y937 HydrophobicContact CG-CE1 4.33Å; P772-L995 HydrophobicContact CB-CD1 3.98Å; P772-L995 HydrophobicContact CB-CD2 3.91Å; P772-L995 HydrophobicContact CB-CG 4.18Å; P772-G997 VanDerWaalsContact CG-CA 3.5Å; P772-R998 WeakPolarHBondContact CD-O 3.4Å; P772-R998 WeakPolarHBondContact CG-O 3.43Å; P772-V999 HydrophobicContact CG-CG2 4.29Å | ||
| 773 | Y | 76.2 | Confident | 68.2 | Low | 50 Ų | 50 | 69.1 Ų | 69.1 | 20% | 0.196 | 38% | 0.38 | C | S | . | . | trans | -154.3 | 136.7 | -179.4 | 177.9 | -115 | 0 | 0 | 0 | 112.2 | V771 K775 M777 Q810 L842 | V771-Y773 PolarHBondContact O-N 2.93Å; Y773-K775 VanDerWaalsContact OH-C 3.31Å; Y773-K775 WeakPolarHBondContact OH-CA 3.47Å; Y773-K775 PolarHBondContact OH-O 2.92Å; Y773-M777 HydrophobicContact CD2-SD 3.96Å; Y773-M777 HydrophobicContact CE2-SD 4.26Å; Y773-Q810 HydrophobicContact CE1-CG 3.63Å; Y773-Q810 WeakPolarHBondContact OH-CG 3.29Å; Y773-Q810 PolarHBondContact OH-N 2.95Å; Y773-Q810 VanDerWaalsContact OH-N 3.12Å; Y773-L842 WeakPolarHBondContact CD2-O 3.28Å; Y773-L842 WeakPolarHBondContact CE2-O 3.34Å | ||
| 774 | H | 82.4 | Confident | 70.5 | Confident | 62 Ų | 62 | 67.9 Ų | 67.9 | 29% | 0.287 | 36% | 0.356 | S | S | . | . | trans | -118.4 | 144.3 | 166.7 | -168.6 | -104.8 | 0 | 0 | 0 | 110.4 | L776 M777 D992 | H774-L776 PolarHBondContact ND1-O 3.27Å; H774-L776 PolarHBondContact O-N 2.85Å; H774-M777 HydrophobicContact CB-CG 3.85Å; H774-M777 HydrophobicContact CB-SD 4.17Å; H774-M777 PolarHBondContact N-SD 3.25Å; H774-M777 VanDerWaalsContact N-SD 3.42Å; H774-D992 PolarHBondContact NE2-O 3.24Å | ||
| 775 | K | 86.6 | Confident | 72.9 | Confident | 167 Ų | 167 | 73.3 Ų | 73.3 | 73% | 0.726 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -56.3 | -28.9 | -166.4 | -70 | -177.9 | -179 | 175.5 | 0 | 114.9 | Y773 | Y773-K775 VanDerWaalsContact OH-C 3.31Å; Y773-K775 WeakPolarHBondContact OH-CA 3.47Å; Y773-K775 PolarHBondContact OH-O 2.92Å |
| 776 | L | 93.7 | Very high | 75.3 | Confident | 37 Ų | 37 | 66.4 Ų | 66.4 | 19% | 0.194 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -140.3 | 128.1 | 175.5 | -176.4 | 68.7 | 0 | 0 | 0 | 105.8 | H774 P794 L807 T809 L869 | H774-L776 PolarHBondContact ND1-O 3.27Å; H774-L776 PolarHBondContact O-N 2.85Å; L776-P794 HydrophobicContact CD2-CB 3.8Å; L776-P794 HydrophobicContact CD2-CG 3.97Å; L776-P794 HydrophobicContact CG-CB 3.83Å; L776-P794 HydrophobicContact CG-CG 4.17Å; L776-L807 HydrophobicContact CD1-CD1 3.65Å; L776-L807 HydrophobicContact CD1-CG 4.23Å; L776-L807 HydrophobicContact CG-CD1 4.24Å; L776-T809 HydrophobicContact CD1-CG2 3.53Å; L776-L869 HydrophobicContact CD1-CB 4.21Å; L776-L869 HydrophobicContact CD1-CD2 4.37Å; L776-L869 VanDerWaalsContact CD2-O 3.29Å; L776-L869 WeakPolarHBondContact CD2-O 3.19Å |
| 777 | M | 95.3 | Very high | 78.1 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 124.3 | -179 | -73.3 | 165.3 | 46.5 | 0 | 0 | 108.7 | Y773 H774 I779 M791 L807 V808 L842 L1007 | Y773-M777 HydrophobicContact CD2-SD 3.96Å; Y773-M777 HydrophobicContact CE2-SD 4.26Å; H774-M777 HydrophobicContact CB-CG 3.85Å; H774-M777 HydrophobicContact CB-SD 4.17Å; H774-M777 PolarHBondContact N-SD 3.25Å; H774-M777 VanDerWaalsContact N-SD 3.42Å; M777-I779 HydrophobicContact CE-CD1 4.24Å; M777-M791 HydrophobicContact CE-CE 3.7Å; M777-M791 HydrophobicContact CG-CE 4.08Å; M777-M791 HydrophobicContact CG-SD 4.26Å; M777-M791 HydrophobicContact SD-CE 4.26Å; M777-L807 WeakPolarHBondContact O-CA 3.23Å; M777-V808 HydrophobicContact CB-CB 4.45Å; M777-V808 PolarHBondContact N-O 3.12Å; M777-V808 VanDerWaalsContact N-O 3.1Å; M777-V808 PolarHBondContact O-N 2.85Å; M777-L842 HydrophobicContact CE-CB 4.26Å; M777-L842 HydrophobicContact CE-CD1 3.89Å; M777-L842 HydrophobicContact CE-CD2 4.26Å; M777-L842 HydrophobicContact CE-CG 4.36Å; M777-L1007 HydrophobicContact CE-CD2 4.02Å |
| 778 | L | 96.2 | Very high | 81 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 130.6 | 167.2 | -175.5 | 64.4 | 0 | 0 | 0 | 107.9 | M791 V792 P794 L799 F805 L806 L807 L870 | L778-M791 WeakPolarHBondContact O-CA 3.36Å; L778-M791 WeakPolarHBondContact O-CG 3.41Å; L778-V792 HydrophobicContact CB-CG2 4.06Å; L778-V792 HydrophobicContact CD2-CG2 3.83Å; L778-V792 HydrophobicContact CG-CG2 3.71Å; L778-V792 PolarHBondContact O-N 2.89Å; L778-P794 HydrophobicContact CB-CB 3.86Å; L778-L799 HydrophobicContact CD1-CD2 4.21Å; L778-L799 HydrophobicContact CD2-CD2 4.15Å; L778-F805 HydrophobicContact CD1-CB 3.95Å; L778-F805 HydrophobicContact CD1-CD1 4.31Å; L778-F805 HydrophobicContact CD2-CD1 4.43Å; L778-F805 HydrophobicContact CG-CD1 4.25Å; L778-L806 CarbonylContact C-O 3.54Å; L778-L806 WeakPolarHBondContact CA-O 3.24Å; L778-L807 HydrophobicContact CB-CD1 4.21Å; L778-L807 HydrophobicContact CD1-CB 4.21Å; L778-L807 HydrophobicContact CD1-CD1 4.19Å; L778-L870 HydrophobicContact CD2-CD2 4.16Å |
| 779 | I | 96.7 | Very high | 83.7 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 115.4 | -175.4 | -53.6 | 169.9 | 0 | 0 | 0 | 107.9 | M777 V789 R790 F805 L806 V808 L842 L1007 | M777-I779 HydrophobicContact CE-CD1 4.24Å; I779-V789 HydrophobicContact CG2-CG1 3.39Å; I779-R790 CarbonylContact C-O 3.59Å; I779-R790 WeakPolarHBondContact CA-O 3.42Å; I779-F805 CarbonylContact O-C 3.24Å; I779-F805 VanDerWaalsContact O-CA 3.25Å; I779-F805 WeakPolarHBondContact O-CA 3.3Å; I779-L806 HydrophobicContact CB-CB 4.26Å; I779-L806 PolarHBondContact N-O 2.94Å; I779-L806 PolarHBondContact O-N 2.86Å; I779-V808 HydrophobicContact CD1-CG2 4.2Å; I779-L842 HydrophobicContact CD1-CD1 3.93Å; I779-L1007 HydrophobicContact CD1-CD1 4.32Å; I779-L1007 HydrophobicContact CD1-CD2 4.14Å; I779-L1007 HydrophobicContact CG1-CD2 4.46Å; I779-L1007 HydrophobicContact CG2-CD1 3.82Å |
| 780 | Q | 95.7 | Very high | 86.4 | Confident | 8 Ų | 8 | 41.4 Ų | 41.4 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 140.3 | 173.7 | -175 | -178.9 | 17.3 | 0 | 0 | 110.2 | K782 V789 R790 V792 D803 F805 | Q780-K782 HydrophobicContact CG-CB 4.33Å; Q780-V789 WeakPolarHBondContact O-CA 3.31Å; Q780-R790 PolarHBondContact N-O 2.87Å; Q780-R790 PolarHBondContact O-N 3.3Å; Q780-V792 HydrophobicContact CB-CG1 3.94Å; Q780-V792 HydrophobicContact CB-CG2 4.27Å; Q780-D803 PolarHBondContact NE2-OD2 3Å; Q780-F805 HydrophobicContact CB-CD1 3.95Å; Q780-F805 HydrophobicContact CB-CE1 3.71Å; Q780-F805 HydrophobicContact CG-CD1 4.26Å; Q780-F805 HydrophobicContact CG-CE1 3.65Å; Q780-F805 HydrophobicContact CG-CZ 4.01Å |
| 781 | V | 95.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 98.8 | 177.5 | -178.2 | 0 | 0 | 0 | 0 | 107 | V787 V789 C804 E825 K828 A829 M832 | V781-V787 HydrophobicContact CG1-CG1 3.41Å; V781-V787 VanDerWaalsContact CG1-CG1 3.41Å; V781-V789 HydrophobicContact CG2-CG2 4.44Å; V781-C804 HydrophobicContact CB-CB 4.19Å; V781-C804 WeakPolarHBondContact CB-O 3.1Å; V781-C804 PolarHBondContact N-O 2.83Å; V781-C804 PolarHBondContact O-N 2.86Å; V781-E825 HydrophobicContact CG1-CB 4.47Å; V781-K828 HydrophobicContact CG1-CB 4.29Å; V781-K828 HydrophobicContact CG1-CG 4.47Å; V781-A829 HydrophobicContact CB-CB 4.24Å; V781-A829 HydrophobicContact CG1-CB 4.21Å; V781-A829 HydrophobicContact CG2-CB 4.05Å; V781-M832 HydrophobicContact CG2-SD 4.34Å |
| 782 | K | 93.6 | Very high | 89.6 | Confident | 12 Ų | 12 | 35.5 Ų | 35.5 | 5% | 0.052 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 136.9 | -174.5 | -178.7 | 175.9 | -166.2 | 54.1 | 0 | 113 | Q780 Q788 D803 E825 D885 Y888 | Q780-K782 HydrophobicContact CG-CB 4.33Å; K782-Q788 PolarHBondContact O-N 2.92Å; K782-D803 HydrophobicContact CB-CB 4.32Å; K782-D803 WeakPolarHBondContact CD-OD1 3.16Å; K782-D803 WeakPolarHBondContact CE-OD1 3.27Å; K782-D803 WeakPolarHBondContact CG-OD1 3.42Å; K782-D803 IonicContact NZ-OD1 2.73Å; K782-D803 PolarHBondContact NZ-OD1 2.88Å; K782-E825 VanDerWaalsContact CA-OE1 3.24Å; K782-E825 WeakPolarHBondContact CA-OE1 3.47Å; K782-D885 WeakPolarHBondContact CE-OD1 3.35Å; K782-D885 IonicContact NZ-OD1 2.69Å; K782-D885 PolarHBondContact NZ-OD1 2.9Å; K782-Y888 HydrophobicContact CB-CD1 4.05Å; K782-Y888 HydrophobicContact CB-CE1 3.63Å; K782-Y888 HydrophobicContact CD-CD1 3.75Å; K782-Y888 HydrophobicContact CD-CD2 4.23Å; K782-Y888 HydrophobicContact CD-CE1 3.97Å; K782-Y888 HydrophobicContact CD-CE2 4.46Å; K782-Y888 HydrophobicContact CD-CG 3.89Å; K782-Y888 HydrophobicContact CG-CD1 3.72Å; K782-Y888 HydrophobicContact CG-CE1 3.85Å; K782-Y888 HydrophobicContact CG-CG 4.36Å |
| 783 | G | 88.1 | Confident | 90.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | 150.1 | 159.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | N822 E825 | G783-N822 PolarHBondContact O-ND2 3.34Å; G783-E825 PolarHBondContact N-OE1 2.81Å | ||
| 784 | W | 81.8 | Confident | 91.4 | Very high | 99 Ų | 99 | 35.9 Ų | 35.9 | 38% | 0.375 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -97.9 | -34 | -170 | -178.8 | -114 | 0 | 0 | 0 | 114.3 | V882 D885 E886 E889 | W784-V882 HydrophobicContact CD2-CG1 4.46Å; W784-V882 HydrophobicContact CE3-CG1 3.91Å; W784-V882 HydrophobicContact CH2-CG1 4.06Å; W784-V882 HydrophobicContact CZ3-CG1 3.69Å; W784-D885 HydrophobicContact CB-CB 3.71Å; W784-E886 HydrophobicContact CB-CG 4.19Å; W784-E886 HydrophobicContact CG-CG 4.27Å; W784-E889 PolarHBondContact N-OE1 2.81Å |
| 785 | R | 80.4 | Confident | 91.9 | Very high | 185 Ų | 185 | 34.8 Ų | 34.8 | 70% | 0.698 | 16% | 0.155 | S | C | * | . | S | Bend | trans | -126 | -35.6 | -179.4 | -53.1 | -172.4 | -170.1 | -127.2 | 2.2 | 112.8 | E886 E889 | R785-E886 IonicContact CZ-OE1 3.26Å; R785-E886 IonicContact NE-OE1 2.67Å; R785-E886 PolarHBondContact NE-OE1 2.95Å; R785-E886 IonicContact NH2-OE1 3.02Å; R785-E886 PolarHBondContact NH2-OE1 2.71Å; R785-E889 PolarHBondContact N-OE1 2.78Å |
| 786 | Q | 83.8 | Confident | 92.1 | Very high | 77 Ų | 77 | 27 Ų | 27 | 36% | 0.36 | 12% | 0.122 | S | C | . | . | S | Bend | trans | -138.8 | 66.9 | -175.8 | -165.4 | 180 | 20.5 | 0 | 0 | 110.1 | Q788 E889 A1013 | Q786-Q788 WeakPolarHBondContact O-CG 3.35Å; Q786-Q788 PolarHBondContact O-N 2.77Å; Q786-Q788 PolarHBondContact O-NE2 3.24Å; Q786-E889 PolarHBondContact N-OE1 2.87Å; Q786-A1013 VanDerWaalsContact NE2-CB 3.25Å |
| 787 | V | 90.5 | Very high | 91.9 | Very high | 21 Ų | 21 | 28.9 Ų | 28.9 | 13% | 0.127 | 13% | 0.129 | C | C | . | . | trans | -34.5 | 116.6 | 179 | 177.6 | 0 | 0 | 0 | 0 | 112 | V781 I824 E825 K828 | V781-V787 HydrophobicContact CG1-CG1 3.41Å; V781-V787 VanDerWaalsContact CG1-CG1 3.41Å; V787-I824 HydrophobicContact CG2-CB 4.3Å; V787-I824 HydrophobicContact CG2-CG2 3.73Å; V787-E825 HydrophobicContact CG2-CG 4.28Å; V787-K828 HydrophobicContact CG1-CG 4.32Å | ||
| 788 | Q | 93.1 | Very high | 91.7 | Very high | 6 Ų | 6 | 29.3 Ų | 29.3 | 3% | 0.028 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 104.8 | -178.6 | -68.3 | -65.4 | -63.1 | 0 | 0 | 109.9 | K782 Q786 Y888 E889 I892 | K782-Q788 PolarHBondContact O-N 2.92Å; Q786-Q788 WeakPolarHBondContact O-CG 3.35Å; Q786-Q788 PolarHBondContact O-N 2.77Å; Q786-Q788 PolarHBondContact O-NE2 3.24Å; Q788-Y888 HydrophobicContact CB-CE1 3.82Å; Q788-E889 HydrophobicContact CG-CG 4.35Å; Q788-I892 HydrophobicContact CB-CG2 3.81Å; Q788-I892 HydrophobicContact CG-CG2 3.53Å |
| 789 | V | 95.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 127.5 | 174.7 | -176.4 | 0 | 0 | 0 | 0 | 109.8 | I779 Q780 V781 M832 L1007 E1010 K1011 | I779-V789 HydrophobicContact CG2-CG1 3.39Å; Q780-V789 WeakPolarHBondContact O-CA 3.31Å; V781-V789 HydrophobicContact CG2-CG2 4.44Å; V789-M832 HydrophobicContact CB-SD 4.4Å; V789-M832 HydrophobicContact CG1-CE 3.78Å; V789-M832 HydrophobicContact CG1-SD 3.74Å; V789-M832 HydrophobicContact CG2-SD 3.75Å; V789-L1007 HydrophobicContact CG1-CD1 3.6Å; V789-E1010 HydrophobicContact CB-CB 3.95Å; V789-E1010 HydrophobicContact CG1-CB 4.41Å; V789-E1010 HydrophobicContact CG2-CB 3.79Å; V789-E1010 HydrophobicContact CG2-CG 4.23Å; V789-K1011 PolarHBondContact O-NZ 3.43Å |
| 790 | R | 94.3 | Very high | 91.2 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 137.9 | -179.6 | -62.7 | -69.1 | 161.3 | 147.8 | 1.5 | 111.6 | I779 Q780 I892 N896 F932 | I779-R790 CarbonylContact C-O 3.59Å; I779-R790 WeakPolarHBondContact CA-O 3.42Å; Q780-R790 PolarHBondContact N-O 2.87Å; Q780-R790 PolarHBondContact O-N 3.3Å; R790-I892 HydrophobicContact CG-CG1 4.13Å; R790-N896 PolarHBondContact NH1-OD1 3.02Å; R790-N896 PolarHBondContact NH2-OD1 2.85Å; R790-F932 PolarHBondContact NH1-O 2.85Å; R790-F932 VanDerWaalsContact NH1-O 3.14Å |
| 791 | M | 95.1 | Very high | 91 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 141.3 | 165.8 | -168.5 | 177.6 | -53.9 | 0 | 0 | 110.5 | M777 L778 S934 E935 W993 L995 L1007 | M777-M791 HydrophobicContact CE-CE 3.7Å; M777-M791 HydrophobicContact CG-CE 4.08Å; M777-M791 HydrophobicContact CG-SD 4.26Å; M777-M791 HydrophobicContact SD-CE 4.26Å; L778-M791 WeakPolarHBondContact O-CA 3.36Å; L778-M791 WeakPolarHBondContact O-CG 3.41Å; M791-S934 WeakPolarHBondContact O-CB 3.48Å; M791-S934 PolarHBondContact O-OG 2.84Å; M791-E935 HydrophobicContact CB-CG 3.97Å; M791-E935 WeakPolarHBondContact CB-OE1 3.44Å; M791-E935 HydrophobicContact CE-CG 4.06Å; M791-E935 PolarHBondContact N-OE1 2.83Å; M791-W993 HydrophobicContact CG-CE3 4.21Å; M791-W993 HydrophobicContact CG-CZ3 4.11Å; M791-W993 HydrophobicContact SD-CE3 4.37Å; M791-L995 HydrophobicContact CE-CB 3.55Å; M791-L995 HydrophobicContact CE-CD2 3.67Å; M791-L995 HydrophobicContact CE-CG 4.22Å; M791-L995 HydrophobicContact SD-CB 4.05Å; M791-L1007 HydrophobicContact CE-CD2 3.68Å |
| 792 | V | 94.1 | Very high | 90.6 | Very high | 7 Ų | 7 | 30.3 Ų | 30.3 | 4% | 0.042 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 166.5 | 178.1 | -66.6 | 0 | 0 | 0 | 0 | 110.6 | L778 Q780 F805 P976 | L778-V792 HydrophobicContact CB-CG2 4.06Å; L778-V792 HydrophobicContact CD2-CG2 3.83Å; L778-V792 HydrophobicContact CG-CG2 3.71Å; L778-V792 PolarHBondContact O-N 2.89Å; Q780-V792 HydrophobicContact CB-CG1 3.94Å; Q780-V792 HydrophobicContact CB-CG2 4.27Å; V792-F805 HydrophobicContact CG2-CD1 4.44Å; V792-F805 HydrophobicContact CG2-CE1 4.38Å; V792-P976 HydrophobicContact CG1-CG 4.47Å |
| 793 | E | 93.4 | Very high | 90.6 | Very high | 49 Ų | 49 | 29.7 Ų | 29.7 | 23% | 0.229 | 14% | 0.137 | C | C | . | . | trans | -58.6 | 125.1 | 178.7 | -171.9 | 155 | -127.6 | 0 | 0 | 110.2 | V795 S798 S980 I983 W993 | E793-V795 HydrophobicContact CB-CG2 4.2Å; E793-V795 HydrophobicContact CG-CG1 4.19Å; E793-V795 HydrophobicContact CG-CG2 3.82Å; E793-V795 PolarHBondContact O-N 2.96Å; E793-S798 VanDerWaalsContact O-CB 3.27Å; E793-S798 WeakPolarHBondContact O-CB 3.46Å; E793-S798 PolarHBondContact O-OG 3.48Å; E793-S980 PolarHBondContact OE2-OG 2.91Å; E793-I983 WeakPolarHBondContact OE2-CD1 3.31Å; E793-W993 HydrophobicContact CB-CD2 4.25Å; E793-W993 HydrophobicContact CB-CZ2 3.79Å; E793-W993 HydrophobicContact CG-CG 4.48Å; E793-W993 PolarHBondContact OE1-NE1 2.81Å; E793-W993 VanDerWaalsContact OE1-NE1 3.09Å | ||
| 794 | P | 94.4 | Very high | 91 | Very high | 18 Ų | 18 | 29.7 Ų | 29.7 | 12% | 0.117 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -81.8 | 67.2 | -170.7 | 33.1 | -37.1 | 0 | 0 | 0 | 112.5 | L776 L778 L870 W993 | L776-P794 HydrophobicContact CD2-CB 3.8Å; L776-P794 HydrophobicContact CD2-CG 3.97Å; L776-P794 HydrophobicContact CG-CB 3.83Å; L776-P794 HydrophobicContact CG-CG 4.17Å; L778-P794 HydrophobicContact CB-CB 3.86Å; P794-L870 HydrophobicContact CB-CD2 4.49Å; P794-W993 HydrophobicContact CG-CB 4.33Å |
| 795 | V | 92.2 | Very high | 91.8 | Very high | 40 Ų | 40 | 25 Ų | 25 | 24% | 0.242 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -136.1 | 154.5 | -178.4 | -65.3 | 0 | 0 | 0 | 0 | 109.8 | E793 H797 S798 | E793-V795 HydrophobicContact CB-CG2 4.2Å; E793-V795 HydrophobicContact CG-CG1 4.19Å; E793-V795 HydrophobicContact CG-CG2 3.82Å; E793-V795 PolarHBondContact O-N 2.96Å; V795-H797 VanDerWaalsContact C-N 3.32Å; V795-H797 WeakPolarHBondContact CG2-CE1 3.44Å; V795-H797 WeakPolarHBondContact CG2-NE2 3.28Å; V795-H797 PolarHBondContact O-N 2.97Å; V795-S798 VanDerWaalsContact CG2-OG 3.27Å; V795-S798 WeakPolarHBondContact CG2-OG 3.41Å; V795-S798 WeakPolarHBondContact O-CB 3.31Å; V795-S798 PolarHBondContact O-N 3.39Å; V795-S798 VanDerWaalsContact O-N 3.13Å; V795-S798 PolarHBondContact O-OG 2.85Å |
| 796 | S | 91.5 | Very high | 92.6 | Very high | 4 Ų | 4 | 16.2 Ų | 16.2 | 3% | 0.028 | 9% | 0.086 | C | C | . | . | G | 310 helix | trans | -65.8 | -28.6 | -172.3 | 32.5 | 0 | 0 | 0 | 0 | 114.5 | S798 L799 G872 T874 Y876 | S796-S798 PolarHBondContact O-N 2.93Å; S796-L799 WeakPolarHBondContact O-CB 3.37Å; S796-L799 WeakPolarHBondContact O-CG 3.31Å; S796-L799 PolarHBondContact O-N 2.98Å; S796-G872 VanDerWaalsContact CB-O 3.25Å; S796-G872 WeakPolarHBondContact CB-O 3.2Å; S796-G872 PolarHBondContact OG-O 3.02Å; S796-T874 PolarHBondContact OG-N 3.03Å; S796-T874 PolarHBondContact OG-OG1 3.44Å; S796-Y876 WeakPolarHBondContact O-CB 3.47Å |
| 797 | H | 89 | Confident | 93.2 | Very high | 75 Ų | 75 | 12.5 Ų | 12.5 | 35% | 0.347 | 7% | 0.069 | S | C | . | . | G | 310 helix | trans | -72.9 | -9.5 | 175.5 | 70.2 | 62 | 0 | 0 | 0 | 114.5 | V795 L799 T874 S980 | V795-H797 VanDerWaalsContact C-N 3.32Å; V795-H797 WeakPolarHBondContact CG2-CE1 3.44Å; V795-H797 WeakPolarHBondContact CG2-NE2 3.28Å; V795-H797 PolarHBondContact O-N 2.97Å; H797-L799 VanDerWaalsContact C-N 3.28Å; H797-T874 PolarHBondContact N-OG1 3.1Å; H797-S980 PolarHBondContact CE1-OG 2.68Å; H797-S980 VanDerWaalsContact CE1-OG 3.31Å |
| 798 | S | 90.7 | Very high | 93.5 | Very high | 11 Ų | 11 | 11.5 Ų | 11.5 | 8% | 0.077 | 6% | 0.063 | C | C | . | . | G | 310 helix | trans | -77.7 | -16.6 | 171.8 | -56 | 0 | 0 | 0 | 0 | 112.5 | E793 V795 S796 F805 | E793-S798 VanDerWaalsContact O-CB 3.27Å; E793-S798 WeakPolarHBondContact O-CB 3.46Å; E793-S798 PolarHBondContact O-OG 3.48Å; V795-S798 VanDerWaalsContact CG2-OG 3.27Å; V795-S798 WeakPolarHBondContact CG2-OG 3.41Å; V795-S798 WeakPolarHBondContact O-CB 3.31Å; V795-S798 PolarHBondContact O-N 3.39Å; V795-S798 VanDerWaalsContact O-N 3.13Å; V795-S798 PolarHBondContact O-OG 2.85Å; S796-S798 PolarHBondContact O-N 2.93Å; S798-F805 WeakPolarHBondContact O-CE1 3.41Å; S798-F805 VanDerWaalsContact O-CZ 3.28Å; S798-F805 WeakPolarHBondContact O-CZ 3.48Å |
| 799 | L | 92.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 11.8 Ų | 11.8 | 1% | 0.01 | 7% | 0.065 | C | C | . | . | trans | -72.3 | 160.7 | 173.7 | -56.6 | 177.4 | 0 | 0 | 0 | 110.4 | L778 S796 H797 F805 W816 F866 W867 L870 Y876 | L778-L799 HydrophobicContact CD1-CD2 4.21Å; L778-L799 HydrophobicContact CD2-CD2 4.15Å; S796-L799 WeakPolarHBondContact O-CB 3.37Å; S796-L799 WeakPolarHBondContact O-CG 3.31Å; S796-L799 PolarHBondContact O-N 2.98Å; H797-L799 VanDerWaalsContact C-N 3.28Å; L799-F805 HydrophobicContact CB-CE2 4.46Å; L799-F805 HydrophobicContact CD2-CB 3.84Å; L799-F805 HydrophobicContact CD2-CD1 3.9Å; L799-F805 HydrophobicContact CD2-CD2 3.78Å; L799-F805 HydrophobicContact CD2-CE1 4.38Å; L799-F805 HydrophobicContact CD2-CE2 4.27Å; L799-F805 HydrophobicContact CD2-CG 3.57Å; L799-W816 HydrophobicContact CD1-CD2 4.38Å; L799-W816 HydrophobicContact CD2-CG 4.47Å; L799-F866 HydrophobicContact CD1-CE1 4.02Å; L799-F866 HydrophobicContact CD1-CZ 3.93Å; L799-F866 HydrophobicContact CD2-CZ 4.45Å; L799-W867 HydrophobicContact CD1-CH2 4.02Å; L799-W867 HydrophobicContact CD1-CZ3 3.75Å; L799-L870 HydrophobicContact CD1-CD1 3.99Å; L799-Y876 HydrophobicContact CB-CD2 4.37Å; L799-Y876 HydrophobicContact CB-CG 4.15Å; L799-Y876 WeakPolarHBondContact O-CB 3.2Å | ||
| 800 | N | 90 | Very high | 93.4 | Very high | 8 Ų | 8 | 17.3 Ų | 17.3 | 4% | 0.043 | 9% | 0.091 | C | C | . | . | B | Isolated β-bridge | trans | -148.8 | 168.7 | 162.7 | 64 | 61 | 0 | 0 | 0 | 109.6 | G802 D803 K877 | N800-G802 VanDerWaalsContact C-N 3.28Å; N800-G802 PolarHBondContact O-N 2.95Å; N800-G802 VanDerWaalsContact OD1-CA 3.31Å; N800-G802 WeakPolarHBondContact OD1-CA 3.42Å; N800-G802 PolarHBondContact OD1-N 2.9Å; N800-D803 VanDerWaalsContact ND2-CG 3.33Å; N800-D803 PolarHBondContact ND2-OD2 3.41Å; N800-D803 VanDerWaalsContact OD1-CG 3.23Å; N800-D803 PolarHBondContact OD1-N 3.03Å; N800-D803 PolarHBondContact OD1-OD1 3.46Å; N800-D803 PolarHBondContact OD1-OD2 3.33Å; N800-K877 CarbonylContact C-O 3.59Å; N800-K877 WeakPolarHBondContact CA-O 3.25Å; N800-K877 HydrophobicContact CB-CB 4.05Å; N800-K877 WeakPolarHBondContact CB-O 3.32Å |
| 801 | S | 91 | Very high | 93.3 | Very high | 14 Ų | 14 | 20.3 Ų | 20.3 | 10% | 0.098 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -76.7 | -11.4 | 177.1 | -52.1 | 0 | 0 | 0 | 0 | 114.3 | G818 K819 L820 S821 E854 K877 | S801-G818 CarbonylContact O-C 3.59Å; S801-G818 WeakPolarHBondContact O-CA 3.2Å; S801-K819 PolarHBondContact O-N 2.9Å; S801-K819 VanDerWaalsContact O-N 3.15Å; S801-L820 WeakPolarHBondContact O-CA 3.29Å; S801-L820 WeakPolarHBondContact O-CB 3.22Å; S801-L820 PolarHBondContact O-N 3.09Å; S801-S821 PolarHBondContact O-N 2.92Å; S801-E854 WeakPolarHBondContact CA-OE2 3.37Å; S801-E854 WeakPolarHBondContact CB-OE2 3.33Å; S801-E854 VanDerWaalsContact OG-CD 3.32Å; S801-E854 PolarHBondContact OG-OE1 3.26Å; S801-E854 PolarHBondContact OG-OE2 3Å; S801-E854 VanDerWaalsContact OG-OE2 3.14Å; S801-K877 PolarHBondContact N-O 3.07Å |
| 802 | G | 89.2 | Confident | 93.3 | Very high | 4 Ų | 4 | 23 Ų | 23 | 4% | 0.041 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -94.5 | -11.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | N800 S821 S879 | N800-G802 VanDerWaalsContact C-N 3.28Å; N800-G802 PolarHBondContact O-N 2.95Å; N800-G802 VanDerWaalsContact OD1-CA 3.31Å; N800-G802 WeakPolarHBondContact OD1-CA 3.42Å; N800-G802 PolarHBondContact OD1-N 2.9Å; G802-S821 WeakPolarHBondContact O-CA 2.97Å; G802-S879 WeakPolarHBondContact CA-OG 3.32Å |
| 803 | D | 93.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -125.8 | 173.6 | -175.6 | -45.9 | -21.7 | 0 | 0 | 0 | 112.6 | Q780 K782 N800 F805 G818 | Q780-D803 PolarHBondContact NE2-OD2 3Å; K782-D803 HydrophobicContact CB-CB 4.32Å; K782-D803 WeakPolarHBondContact CD-OD1 3.16Å; K782-D803 WeakPolarHBondContact CE-OD1 3.27Å; K782-D803 WeakPolarHBondContact CG-OD1 3.42Å; K782-D803 IonicContact NZ-OD1 2.73Å; K782-D803 PolarHBondContact NZ-OD1 2.88Å; N800-D803 VanDerWaalsContact ND2-CG 3.33Å; N800-D803 PolarHBondContact ND2-OD2 3.41Å; N800-D803 VanDerWaalsContact OD1-CG 3.23Å; N800-D803 PolarHBondContact OD1-N 3.03Å; N800-D803 PolarHBondContact OD1-OD1 3.46Å; N800-D803 PolarHBondContact OD1-OD2 3.33Å; D803-F805 HydrophobicContact CB-CD2 4.35Å; D803-F805 HydrophobicContact CB-CE2 3.69Å; D803-F805 HydrophobicContact CB-CZ 4.09Å; D803-G818 WeakPolarHBondContact O-CA 3.43Å; D803-G818 PolarHBondContact O-N 3.48Å |
| 804 | C | 96 | Very high | 93.6 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 148.1 | 164.7 | -72.8 | 0 | 0 | 0 | 0 | 111.8 | V781 L815 W816 E825 A829 | V781-C804 HydrophobicContact CB-CB 4.19Å; V781-C804 WeakPolarHBondContact CB-O 3.1Å; V781-C804 PolarHBondContact N-O 2.83Å; V781-C804 PolarHBondContact O-N 2.86Å; C804-L815 HydrophobicContact CB-CD1 4.43Å; C804-W816 WeakPolarHBondContact CA-O 3.38Å; C804-E825 HydrophobicContact CB-CB 4.43Å; C804-A829 HydrophobicContact CB-CB 3.58Å |
| 805 | F | 97.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 140.9 | -179.9 | -63.6 | -99.8 | 0 | 0 | 0 | 112.7 | L778 I779 Q780 V792 S798 L799 D803 W816 | L778-F805 HydrophobicContact CD1-CB 3.95Å; L778-F805 HydrophobicContact CD1-CD1 4.31Å; L778-F805 HydrophobicContact CD2-CD1 4.43Å; L778-F805 HydrophobicContact CG-CD1 4.25Å; I779-F805 CarbonylContact O-C 3.24Å; I779-F805 VanDerWaalsContact O-CA 3.25Å; I779-F805 WeakPolarHBondContact O-CA 3.3Å; Q780-F805 HydrophobicContact CB-CD1 3.95Å; Q780-F805 HydrophobicContact CB-CE1 3.71Å; Q780-F805 HydrophobicContact CG-CD1 4.26Å; Q780-F805 HydrophobicContact CG-CE1 3.65Å; Q780-F805 HydrophobicContact CG-CZ 4.01Å; V792-F805 HydrophobicContact CG2-CD1 4.44Å; V792-F805 HydrophobicContact CG2-CE1 4.38Å; S798-F805 WeakPolarHBondContact O-CE1 3.41Å; S798-F805 VanDerWaalsContact O-CZ 3.28Å; S798-F805 WeakPolarHBondContact O-CZ 3.48Å; L799-F805 HydrophobicContact CB-CE2 4.46Å; L799-F805 HydrophobicContact CD2-CB 3.84Å; L799-F805 HydrophobicContact CD2-CD1 3.9Å; L799-F805 HydrophobicContact CD2-CD2 3.78Å; L799-F805 HydrophobicContact CD2-CE1 4.38Å; L799-F805 HydrophobicContact CD2-CE2 4.27Å; L799-F805 HydrophobicContact CD2-CG 3.57Å; D803-F805 HydrophobicContact CB-CD2 4.35Å; D803-F805 HydrophobicContact CB-CE2 3.69Å; D803-F805 HydrophobicContact CB-CZ 4.09Å; F805-W816 HydrophobicContact CB-CB 4.29Å; F805-W816 AromaticContact CD2-CD1 3.98Å; F805-W816 PolarHBondContact N-O 3Å; F805-W816 PolarHBondContact O-N 3.12Å |
| 806 | L | 97.7 | Very high | 94 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 122.1 | 173 | -56.5 | -178.5 | 0 | 0 | 0 | 111.1 | L778 I779 V808 F814 L815 A829 M832 A833 I836 | L778-L806 CarbonylContact C-O 3.54Å; L778-L806 WeakPolarHBondContact CA-O 3.24Å; I779-L806 HydrophobicContact CB-CB 4.26Å; I779-L806 PolarHBondContact N-O 2.94Å; I779-L806 PolarHBondContact O-N 2.86Å; L806-V808 HydrophobicContact CB-CG2 4.37Å; L806-F814 CarbonylContact C-O 3.49Å; L806-F814 WeakPolarHBondContact CA-O 3.34Å; L806-L815 HydrophobicContact CD2-CB 3.78Å; L806-L815 HydrophobicContact CD2-CD1 3.67Å; L806-L815 HydrophobicContact CD2-CG 4.21Å; L806-A829 HydrophobicContact CD2-CB 4.3Å; L806-M832 HydrophobicContact CD1-CB 3.62Å; L806-M832 HydrophobicContact CD1-CE 4.3Å; L806-M832 HydrophobicContact CD1-SD 4.35Å; L806-A833 HydrophobicContact CD1-CB 4.36Å; L806-A833 HydrophobicContact CD2-CB 3.8Å; L806-I836 HydrophobicContact CD1-CD1 3.95Å |
| 807 | L | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 110.4 | 172.4 | -173.2 | 62.5 | 0 | 0 | 0 | 109.8 | L776 M777 L778 C813 F814 F866 L869 L870 | L776-L807 HydrophobicContact CD1-CD1 3.65Å; L776-L807 HydrophobicContact CD1-CG 4.23Å; L776-L807 HydrophobicContact CG-CD1 4.24Å; M777-L807 WeakPolarHBondContact O-CA 3.23Å; L778-L807 HydrophobicContact CB-CD1 4.21Å; L778-L807 HydrophobicContact CD1-CB 4.21Å; L778-L807 HydrophobicContact CD1-CD1 4.19Å; L807-C813 WeakPolarHBondContact O-CA 3.2Å; L807-F814 HydrophobicContact CB-CB 4.25Å; L807-F814 HydrophobicContact CB-CD2 4.4Å; L807-F814 HydrophobicContact CD2-CD2 4.36Å; L807-F814 PolarHBondContact N-O 3.35Å; L807-F814 PolarHBondContact O-N 3.37Å; L807-F866 HydrophobicContact CB-CD2 4.08Å; L807-F866 HydrophobicContact CB-CE2 3.91Å; L807-F866 HydrophobicContact CD2-CD2 3.51Å; L807-F866 HydrophobicContact CD2-CE2 3.88Å; L807-F866 HydrophobicContact CD2-CG 4.29Å; L807-F866 HydrophobicContact CG-CD2 4.45Å; L807-L869 HydrophobicContact CD2-CB 3.89Å; L807-L869 HydrophobicContact CD2-CD1 4.33Å; L807-L870 HydrophobicContact CD1-CD2 3.72Å; L807-L870 HydrophobicContact CD2-CD1 4.44Å; L807-L870 HydrophobicContact CD2-CD2 3.92Å; L807-L870 HydrophobicContact CD2-CG 3.85Å; L807-L870 HydrophobicContact CG-CD2 4.44Å |
| 808 | V | 96.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 131.5 | -172.1 | -171.7 | 0 | 0 | 0 | 0 | 111 | M777 I779 L806 I836 L842 C844 | M777-V808 HydrophobicContact CB-CB 4.45Å; M777-V808 PolarHBondContact N-O 3.12Å; M777-V808 VanDerWaalsContact N-O 3.1Å; M777-V808 PolarHBondContact O-N 2.85Å; I779-V808 HydrophobicContact CD1-CG2 4.2Å; L806-V808 HydrophobicContact CB-CG2 4.37Å; V808-I836 HydrophobicContact CG1-CG2 4.17Å; V808-I836 HydrophobicContact CG2-CD1 4.13Å; V808-L842 HydrophobicContact CG1-CB 4.41Å; V808-C844 HydrophobicContact CG1-CB 4.11Å |
| 809 | T | 94.3 | Very high | 94.4 | Very high | 11 Ų | 11 | 20.9 Ų | 20.9 | 7% | 0.067 | 11% | 0.107 | C | C | . | . | trans | -137.3 | 176.8 | 174.6 | 64 | 0 | 0 | 0 | 0 | 110 | L776 S811 H812 C844 L869 | L776-T809 HydrophobicContact CD1-CG2 3.53Å; T809-S811 VanDerWaalsContact C-N 3.27Å; T809-S811 PolarHBondContact O-N 3.42Å; T809-H812 PolarHBondContact N-O 2.96Å; T809-H812 WeakPolarHBondContact OG1-CA 3.42Å; T809-H812 PolarHBondContact OG1-N 3.34Å; T809-H812 PolarHBondContact OG1-O 3.1Å; T809-C844 PolarHBondContact O-SG 2.85Å; T809-L869 HydrophobicContact CG2-CD1 4.13Å; T809-L869 HydrophobicContact CG2-CD2 4.26Å | ||
| 810 | Q | 92.2 | Very high | 94.3 | Very high | 118 Ų | 118 | 26 Ų | 26 | 55% | 0.551 | 13% | 0.133 | S | C | * | . | S | Bend | trans | -63.4 | -30.8 | 177.2 | -60.9 | -164.7 | -32.2 | 0 | 0 | 113.2 | Y773 Q845 | Y773-Q810 HydrophobicContact CE1-CG 3.63Å; Y773-Q810 WeakPolarHBondContact OH-CG 3.29Å; Y773-Q810 PolarHBondContact OH-N 2.95Å; Y773-Q810 VanDerWaalsContact OH-N 3.12Å; Q810-Q845 WeakPolarHBondContact O-CA 3.42Å; Q810-Q845 WeakPolarHBondContact O-CB 3.45Å; Q810-Q845 PolarHBondContact O-N 3.38Å |
| 811 | S | 92.6 | Very high | 94.2 | Very high | 65 Ų | 65 | 25.8 Ų | 25.8 | 46% | 0.455 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -108.3 | -24.5 | -176.4 | 58.5 | 0 | 0 | 0 | 0 | 114.6 | T809 A846 | T809-S811 VanDerWaalsContact C-N 3.27Å; T809-S811 PolarHBondContact O-N 3.42Å; S811-A846 WeakPolarHBondContact O-CA 3.37Å; S811-A846 VanDerWaalsContact O-CB 3.23Å; S811-A846 WeakPolarHBondContact O-CB 3.21Å |
| 812 | H | 94.4 | Very high | 94.2 | Very high | 56 Ų | 56 | 26.2 Ų | 26.2 | 26% | 0.259 | 13% | 0.134 | S | C | . | . | trans | -133.6 | 141.5 | -171.1 | -52.7 | 137.7 | 0 | 0 | 0 | 112 | T809 F814 E865 | T809-H812 PolarHBondContact N-O 2.96Å; T809-H812 WeakPolarHBondContact OG1-CA 3.42Å; T809-H812 PolarHBondContact OG1-N 3.34Å; T809-H812 PolarHBondContact OG1-O 3.1Å; H812-F814 HydrophobicContact CB-CD2 4.13Å; H812-F814 HydrophobicContact CB-CE2 3.47Å; H812-F814 VanDerWaalsContact CB-CE2 3.47Å; H812-F814 HydrophobicContact CB-CZ 4.04Å; H812-E865 VanDerWaalsContact CE1-CD 3.44Å; H812-E865 IonicContact CE1-OE1 3.72Å; H812-E865 PolarHBondContact CE1-OE1 2.97Å; H812-E865 VanDerWaalsContact CE1-OE1 3.28Å; H812-E865 IonicContact CE1-OE2 2.76Å; H812-E865 PolarHBondContact CE1-OE2 2.78Å; H812-E865 VanDerWaalsContact CE1-OE2 3.31Å; H812-E865 IonicContact ND1-OE1 3.49Å; H812-E865 IonicContact ND1-OE2 3.16Å | ||
| 813 | C | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 111.6 | 168.4 | -178.8 | 0 | 0 | 0 | 0 | 107.6 | L807 V837 A846 V850 | L807-C813 WeakPolarHBondContact O-CA 3.2Å; C813-V837 HydrophobicContact CB-CG2 3.84Å; C813-A846 HydrophobicContact CB-CB 4.37Å; C813-V850 PolarHBondContact O-N 3.39Å |
| 814 | F | 97.6 | Very high | 94.1 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 1% | 0.013 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 139.5 | 174.4 | -55.9 | -98.7 | 0 | 0 | 0 | 109.5 | L806 L807 H812 V850 L852 Q862 E865 F866 L869 | L806-F814 CarbonylContact C-O 3.49Å; L806-F814 WeakPolarHBondContact CA-O 3.34Å; L807-F814 HydrophobicContact CB-CB 4.25Å; L807-F814 HydrophobicContact CB-CD2 4.4Å; L807-F814 HydrophobicContact CD2-CD2 4.36Å; L807-F814 PolarHBondContact N-O 3.35Å; L807-F814 PolarHBondContact O-N 3.37Å; H812-F814 HydrophobicContact CB-CD2 4.13Å; H812-F814 HydrophobicContact CB-CE2 3.47Å; H812-F814 VanDerWaalsContact CB-CE2 3.47Å; H812-F814 HydrophobicContact CB-CZ 4.04Å; F814-V850 CarbonylContact C-O 3.53Å; F814-V850 VanDerWaalsContact CA-O 3.27Å; F814-V850 WeakPolarHBondContact CA-O 3.29Å; F814-V850 HydrophobicContact CD1-CB 3.6Å; F814-V850 HydrophobicContact CD1-CG1 3.52Å; F814-V850 HydrophobicContact CD1-CG2 4.35Å; F814-V850 HydrophobicContact CE1-CB 4.04Å; F814-V850 HydrophobicContact CE1-CG1 3.79Å; F814-V850 HydrophobicContact CE1-CG2 4.36Å; F814-V850 HydrophobicContact CG-CB 4.27Å; F814-L852 HydrophobicContact CD1-CD1 3.92Å; F814-L852 HydrophobicContact CD1-CG 4.49Å; F814-Q862 WeakPolarHBondContact CE1-O 3.47Å; F814-E865 HydrophobicContact CZ-CB 4.33Å; F814-E865 HydrophobicContact CZ-CG 4.23Å; F814-F866 HydrophobicContact CB-CD2 3.74Å; F814-F866 HydrophobicContact CB-CE2 4.27Å; F814-F866 HydrophobicContact CD1-CB 3.93Å; F814-F866 HydrophobicContact CD1-CD2 4.27Å; F814-F866 HydrophobicContact CD2-CD2 4.3Å; F814-F866 HydrophobicContact CE1-CB 3.98Å; F814-F866 HydrophobicContact CG-CB 4.26Å; F814-F866 AromaticContact CG-CD2 3.88Å; F814-F866 HydrophobicContact CG-CD2 3.88Å; F814-F866 HydrophobicContact CZ-CB 4.34Å; F814-L869 HydrophobicContact CD2-CD1 4.46Å; F814-L869 HydrophobicContact CE2-CD1 3.63Å; F814-L869 HydrophobicContact CZ-CD1 4.33Å |
| 815 | L | 97.8 | Very high | 94 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 114.3 | 165.2 | 163.4 | 52.6 | 0 | 0 | 0 | 107.7 | C804 L806 A829 V849 V850 L852 | C804-L815 HydrophobicContact CB-CD1 4.43Å; L806-L815 HydrophobicContact CD2-CB 3.78Å; L806-L815 HydrophobicContact CD2-CD1 3.67Å; L806-L815 HydrophobicContact CD2-CG 4.21Å; L815-A829 HydrophobicContact CD1-CB 3.61Å; L815-V849 HydrophobicContact CB-CG1 3.9Å; L815-V850 PolarHBondContact N-O 2.93Å; L815-L852 PolarHBondContact O-N 2.91Å |
| 816 | W | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 122.4 | 168.7 | 174.7 | -85.4 | 0 | 0 | 0 | 110.1 | L799 C804 F805 L852 E854 T858 F866 W867 Y876 | L799-W816 HydrophobicContact CD1-CD2 4.38Å; L799-W816 HydrophobicContact CD2-CG 4.47Å; C804-W816 WeakPolarHBondContact CA-O 3.38Å; F805-W816 HydrophobicContact CB-CB 4.29Å; F805-W816 AromaticContact CD2-CD1 3.98Å; F805-W816 PolarHBondContact N-O 3Å; F805-W816 PolarHBondContact O-N 3.12Å; W816-L852 CarbonylContact C-O 3.55Å; W816-L852 VanDerWaalsContact CA-O 3.3Å; W816-L852 WeakPolarHBondContact CA-O 3.5Å; W816-L852 HydrophobicContact CE3-CB 3.95Å; W816-E854 HydrophobicContact CH2-CB 4.25Å; W816-E854 HydrophobicContact CH2-CG 4.36Å; W816-E854 HydrophobicContact CZ2-CB 3.73Å; W816-E854 HydrophobicContact CZ2-CG 3.86Å; W816-T858 HydrophobicContact CH2-CG2 3.71Å; W816-T858 HydrophobicContact CZ3-CG2 3.92Å; W816-F866 HydrophobicContact CB-CE2 4.11Å; W816-F866 HydrophobicContact CB-CZ 3.79Å; W816-F866 HydrophobicContact CD2-CE1 4.19Å; W816-F866 HydrophobicContact CD2-CZ 4.04Å; W816-F866 HydrophobicContact CE3-CD1 4.36Å; W816-F866 AromaticContact CE3-CE1 3.53Å; W816-F866 HydrophobicContact CE3-CE1 3.53Å; W816-F866 AromaticContact CE3-CZ 3.76Å; W816-F866 HydrophobicContact CE3-CZ 3.76Å; W816-F866 HydrophobicContact CG-CZ 4.07Å; W816-F866 HydrophobicContact CZ3-CE1 4.04Å; W816-W867 HydrophobicContact CE3-CH2 4.44Å; W816-W867 HydrophobicContact CE3-CZ2 4.47Å; W816-W867 AromaticContact CH2-CH2 3.63Å; W816-W867 HydrophobicContact CH2-CH2 3.63Å; W816-W867 AromaticContact CH2-CZ2 3.6Å; W816-W867 HydrophobicContact CH2-CZ2 3.6Å; W816-W867 HydrophobicContact CZ2-CH2 4.32Å; W816-W867 AromaticContact CZ3-CH2 3.7Å; W816-W867 HydrophobicContact CZ3-CH2 3.7Å; W816-W867 AromaticContact CZ3-CZ2 3.47Å; W816-W867 HydrophobicContact CZ3-CZ2 3.47Å; W816-W867 VanDerWaalsContact CZ3-CZ2 3.47Å; W816-Y876 HydrophobicContact CZ2-CE1 4.42Å; W816-Y876 AromaticContact CZ2-CZ 3.94Å; W816-Y876 WeakPolarHBondContact CZ2-OH 3.42Å |
| 817 | T | 96.4 | Very high | 93.7 | Very high | 9 Ų | 9 | 45 Ų | 45 | 6% | 0.055 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 110 | 175.5 | -49 | 0 | 0 | 0 | 0 | 109.6 | R826 L852 D853 E854 | T817-R826 HydrophobicContact CG2-CG 3.86Å; T817-L852 PolarHBondContact N-O 2.83Å; T817-D853 WeakPolarHBondContact CB-OD1 3.06Å; T817-D853 PolarHBondContact OG1-OD1 3.18Å; T817-E854 WeakPolarHBondContact O-CB 3.19Å; T817-E854 PolarHBondContact O-N 3Å |
| 818 | G | 92.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -61.7 | 139.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | S801 D803 L820 S821 R826 | S801-G818 CarbonylContact O-C 3.59Å; S801-G818 WeakPolarHBondContact O-CA 3.2Å; D803-G818 WeakPolarHBondContact O-CA 3.43Å; D803-G818 PolarHBondContact O-N 3.48Å; G818-L820 PolarHBondContact O-N 3.15Å; G818-L820 VanDerWaalsContact O-N 3.14Å; G818-S821 WeakPolarHBondContact O-CB 3.48Å; G818-S821 PolarHBondContact O-N 3.44Å; G818-S821 PolarHBondContact O-OG 3.46Å; G818-R826 PolarHBondContact O-NH2 3.31Å | ||
| 819 | K | 90.8 | Very high | 93.6 | Very high | 145 Ų | 145 | 46.4 Ų | 46.4 | 63% | 0.63 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -35.9 | -173.6 | 179.7 | 177 | 177 | -178.4 | 0 | 112.6 | S801 R826 E854 | S801-K819 PolarHBondContact O-N 2.9Å; S801-K819 VanDerWaalsContact O-N 3.15Å; K819-R826 PolarHBondContact O-NH2 2.84Å; K819-E854 HydrophobicContact CB-CB 4.07Å; K819-E854 HydrophobicContact CB-CG 4.15Å; K819-E854 WeakPolarHBondContact CB-OE2 3.49Å; K819-E854 PolarHBondContact N-OE2 2.89Å |
| 820 | L | 88.9 | Confident | 93.7 | Very high | 108 Ų | 108 | 48 Ų | 48 | 57% | 0.565 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | -1.7 | -173.5 | -62.2 | 169.4 | 0 | 0 | 0 | 113.4 | S801 G818 S879 | S801-L820 WeakPolarHBondContact O-CA 3.29Å; S801-L820 WeakPolarHBondContact O-CB 3.22Å; S801-L820 PolarHBondContact O-N 3.09Å; G818-L820 PolarHBondContact O-N 3.15Å; G818-L820 VanDerWaalsContact O-N 3.14Å; L820-S879 VanDerWaalsContact CD1-CB 3.45Å |
| 821 | S | 89.9 | Confident | 93.9 | Very high | 5 Ų | 5 | 45.3 Ų | 45.3 | 4% | 0.035 | 23% | 0.23 | C | C | . | . | trans | -54.4 | 146.3 | 175.5 | 61.3 | 0 | 0 | 0 | 0 | 113.8 | S801 G802 G818 R826 | S801-S821 PolarHBondContact O-N 2.92Å; G802-S821 WeakPolarHBondContact O-CA 2.97Å; G818-S821 WeakPolarHBondContact O-CB 3.48Å; G818-S821 PolarHBondContact O-N 3.44Å; G818-S821 PolarHBondContact O-OG 3.46Å; S821-R826 VanDerWaalsContact O-CZ 3.25Å; S821-R826 PolarHBondContact O-NE 2.89Å; S821-R826 PolarHBondContact O-NH2 3.1Å; S821-R826 VanDerWaalsContact OG-CZ 3.27Å; S821-R826 PolarHBondContact OG-NE 2.9Å; S821-R826 PolarHBondContact OG-NH2 2.91Å | ||
| 822 | N | 89.4 | Confident | 94 | Very high | 23 Ų | 23 | 42.2 Ų | 42.2 | 12% | 0.123 | 21% | 0.208 | C | C | . | . | trans | -80.9 | 165.9 | -174.6 | 80.3 | 52.6 | 0 | 0 | 0 | 112.1 | G783 I824 E825 R826 | G783-N822 PolarHBondContact O-ND2 3.34Å; N822-I824 VanDerWaalsContact C-N 3.31Å; N822-I824 PolarHBondContact O-N 3.22Å; N822-I824 WeakPolarHBondContact OD1-CA 3.47Å; N822-I824 WeakPolarHBondContact OD1-CB 3.15Å; N822-I824 PolarHBondContact OD1-N 3Å; N822-E825 VanDerWaalsContact CG-CD 3.47Å; N822-E825 PolarHBondContact N-OE2 2.96Å; N822-E825 PolarHBondContact ND2-OE1 2.9Å; N822-E825 PolarHBondContact ND2-OE2 3.47Å; N822-E825 PolarHBondContact O-N 2.93Å; N822-E825 PolarHBondContact OD1-N 2.7Å; N822-R826 VanDerWaalsContact O-CG 3.32Å; N822-R826 WeakPolarHBondContact O-CG 3.48Å; N822-R826 PolarHBondContact O-N 3.23Å | ||
| 823 | T | 91 | Very high | 94.2 | Very high | 93 Ų | 93 | 39.5 Ų | 39.5 | 57% | 0.571 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -65.5 | -34.2 | -174.6 | 46.9 | 0 | 0 | 0 | 0 | 112.9 | R826 E827 | T823-R826 PolarHBondContact O-N 2.74Å; T823-E827 WeakPolarHBondContact O-CB 3.38Å; T823-E827 WeakPolarHBondContact O-CG 3.37Å; T823-E827 PolarHBondContact O-N 3.16Å |
| 824 | I | 90.5 | Very high | 94.1 | Very high | 76 Ų | 76 | 42 Ų | 42 | 39% | 0.39 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -70.4 | -41.9 | -177.8 | -49.4 | 177.4 | 0 | 0 | 0 | 109.6 | V787 N822 K828 | V787-I824 HydrophobicContact CG2-CB 4.3Å; V787-I824 HydrophobicContact CG2-CG2 3.73Å; N822-I824 VanDerWaalsContact C-N 3.31Å; N822-I824 PolarHBondContact O-N 3.22Å; N822-I824 WeakPolarHBondContact OD1-CA 3.47Å; N822-I824 WeakPolarHBondContact OD1-CB 3.15Å; N822-I824 PolarHBondContact OD1-N 3Å; I824-K828 WeakPolarHBondContact O-CB 3.49Å; I824-K828 PolarHBondContact O-N 3.29Å |
| 825 | E | 94 | Very high | 93.9 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.6 | -44.5 | 173.6 | -67.4 | 163.8 | 162.4 | 0 | 0 | 112.3 | V781 K782 G783 V787 C804 N822 K828 A829 | V781-E825 HydrophobicContact CG1-CB 4.47Å; K782-E825 VanDerWaalsContact CA-OE1 3.24Å; K782-E825 WeakPolarHBondContact CA-OE1 3.47Å; G783-E825 PolarHBondContact N-OE1 2.81Å; V787-E825 HydrophobicContact CG2-CG 4.28Å; C804-E825 HydrophobicContact CB-CB 4.43Å; N822-E825 VanDerWaalsContact CG-CD 3.47Å; N822-E825 PolarHBondContact N-OE2 2.96Å; N822-E825 PolarHBondContact ND2-OE1 2.9Å; N822-E825 PolarHBondContact ND2-OE2 3.47Å; N822-E825 PolarHBondContact O-N 2.93Å; N822-E825 PolarHBondContact OD1-N 2.7Å; E825-K828 PolarHBondContact O-N 3.04Å; E825-A829 VanDerWaalsContact O-CB 3.25Å; E825-A829 WeakPolarHBondContact O-CB 3.46Å; E825-A829 PolarHBondContact O-N 3.05Å |
| 826 | R | 95.4 | Very high | 93.8 | Very high | 89 Ų | 89 | 43.4 Ų | 43.4 | 34% | 0.336 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.2 | -49.1 | 178.7 | -68.7 | 176 | -161 | -122.5 | 3.5 | 112 | T817 G818 K819 S821 N822 T823 K828 S830 | T817-R826 HydrophobicContact CG2-CG 3.86Å; G818-R826 PolarHBondContact O-NH2 3.31Å; K819-R826 PolarHBondContact O-NH2 2.84Å; S821-R826 VanDerWaalsContact O-CZ 3.25Å; S821-R826 PolarHBondContact O-NE 2.89Å; S821-R826 PolarHBondContact O-NH2 3.1Å; S821-R826 VanDerWaalsContact OG-CZ 3.27Å; S821-R826 PolarHBondContact OG-NE 2.9Å; S821-R826 PolarHBondContact OG-NH2 2.91Å; N822-R826 VanDerWaalsContact O-CG 3.32Å; N822-R826 WeakPolarHBondContact O-CG 3.48Å; N822-R826 PolarHBondContact O-N 3.23Å; T823-R826 PolarHBondContact O-N 2.74Å; R826-K828 VanDerWaalsContact C-N 3.32Å; R826-K828 PolarHBondContact O-N 3.33Å; R826-S830 VanDerWaalsContact O-CB 3.24Å; R826-S830 WeakPolarHBondContact O-CB 3.09Å; R826-S830 PolarHBondContact O-N 2.7Å |
| 827 | E | 93.7 | Very high | 93.7 | Very high | 140 Ų | 140 | 44.5 Ų | 44.5 | 65% | 0.654 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -59.7 | -45.4 | 175.4 | -74.5 | 175.5 | -176.5 | 0 | 0 | 110.6 | T823 S830 E831 | T823-E827 WeakPolarHBondContact O-CB 3.38Å; T823-E827 WeakPolarHBondContact O-CG 3.37Å; T823-E827 PolarHBondContact O-N 3.16Å; E827-S830 PolarHBondContact O-N 3.37Å; E827-E831 WeakPolarHBondContact O-CB 3.39Å; E827-E831 PolarHBondContact O-N 3.19Å |
| 828 | K | 94.1 | Very high | 93.5 | Very high | 30 Ų | 30 | 49.6 Ų | 49.6 | 13% | 0.13 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.2 | -41.9 | -176.1 | -164.6 | 46.4 | 157.8 | 153.5 | 0 | 113.3 | V781 V787 I824 E825 R826 E831 M832 E1010 F1016 | V781-K828 HydrophobicContact CG1-CB 4.29Å; V781-K828 HydrophobicContact CG1-CG 4.47Å; V787-K828 HydrophobicContact CG1-CG 4.32Å; I824-K828 WeakPolarHBondContact O-CB 3.49Å; I824-K828 PolarHBondContact O-N 3.29Å; E825-K828 PolarHBondContact O-N 3.04Å; R826-K828 VanDerWaalsContact C-N 3.32Å; R826-K828 PolarHBondContact O-N 3.33Å; K828-E831 IonicContact NZ-OE2 3.17Å; K828-E831 PolarHBondContact NZ-OE2 3.3Å; K828-E831 PolarHBondContact O-N 2.88Å; K828-M832 WeakPolarHBondContact O-CB 3.44Å; K828-M832 WeakPolarHBondContact O-CG 3.2Å; K828-M832 PolarHBondContact O-N 2.6Å; K828-E1010 VanDerWaalsContact CE-CD 3.46Å; K828-E1010 VanDerWaalsContact CE-OE1 3.26Å; K828-E1010 WeakPolarHBondContact CE-OE1 3.47Å; K828-E1010 WeakPolarHBondContact CE-OE2 3.44Å; K828-E1010 IonicContact NZ-OE1 3.43Å; K828-E1010 PolarHBondContact NZ-OE1 2.71Å; K828-E1010 IonicContact NZ-OE2 3.64Å; K828-E1010 PolarHBondContact NZ-OE2 2.83Å; K828-F1016 VanDerWaalsContact NZ-CG 3.34Å |
| 829 | A | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.1 | -37.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V781 C804 L806 L815 E825 M832 A833 | V781-A829 HydrophobicContact CB-CB 4.24Å; V781-A829 HydrophobicContact CG1-CB 4.21Å; V781-A829 HydrophobicContact CG2-CB 4.05Å; C804-A829 HydrophobicContact CB-CB 3.58Å; L806-A829 HydrophobicContact CD2-CB 4.3Å; L815-A829 HydrophobicContact CD1-CB 3.61Å; E825-A829 VanDerWaalsContact O-CB 3.25Å; E825-A829 WeakPolarHBondContact O-CB 3.46Å; E825-A829 PolarHBondContact O-N 3.05Å; A829-M832 PolarHBondContact O-N 3.46Å; A829-A833 VanDerWaalsContact O-CB 3.31Å; A829-A833 WeakPolarHBondContact O-CB 3.28Å; A829-A833 PolarHBondContact O-N 3.05Å |
| 830 | S | 96.5 | Very high | 93.5 | Very high | 43 Ų | 43 | 55.7 Ų | 55.7 | 30% | 0.301 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.9 | -43 | 174.8 | -171.1 | 0 | 0 | 0 | 0 | 112.6 | R826 E827 S834 | R826-S830 VanDerWaalsContact O-CB 3.24Å; R826-S830 WeakPolarHBondContact O-CB 3.09Å; R826-S830 PolarHBondContact O-N 2.7Å; E827-S830 PolarHBondContact O-N 3.37Å; S830-S834 VanDerWaalsContact O-CB 3.29Å; S830-S834 WeakPolarHBondContact O-CB 3.44Å; S830-S834 PolarHBondContact O-N 3.24Å; S830-S834 PolarHBondContact O-OG 2.81Å |
| 831 | E | 95.3 | Very high | 93.6 | Very high | 62 Ų | 62 | 51.3 Ų | 51.3 | 29% | 0.29 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.2 | -51.5 | 172.5 | 178.2 | 176.8 | -129.3 | 0 | 0 | 111.2 | E827 K828 A833 S834 L835 F1016 | E827-E831 WeakPolarHBondContact O-CB 3.39Å; E827-E831 PolarHBondContact O-N 3.19Å; K828-E831 IonicContact NZ-OE2 3.17Å; K828-E831 PolarHBondContact NZ-OE2 3.3Å; K828-E831 PolarHBondContact O-N 2.88Å; E831-A833 PolarHBondContact O-N 3.22Å; E831-S834 WeakPolarHBondContact O-CB 3.38Å; E831-S834 PolarHBondContact O-N 3.39Å; E831-L835 HydrophobicContact CG-CD1 3.8Å; E831-L835 WeakPolarHBondContact O-CB 3.39Å; E831-L835 VanDerWaalsContact O-CG 3.3Å; E831-L835 WeakPolarHBondContact O-CG 3.14Å; E831-L835 PolarHBondContact O-N 3.4Å; E831-F1016 VanDerWaalsContact CD-CD1 3.41Å; E831-F1016 HydrophobicContact CG-CE1 3.96Å; E831-F1016 VanDerWaalsContact OE1-CD1 3.25Å; E831-F1016 WeakPolarHBondContact OE1-CD1 3.41Å; E831-F1016 WeakPolarHBondContact OE1-CE1 3.43Å; E831-F1016 WeakPolarHBondContact OE2-CD1 3.2Å; E831-F1016 WeakPolarHBondContact OE2-CE1 3.38Å |
| 832 | M | 96 | Very high | 93.6 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.5 | -49.9 | 177.3 | -82.7 | -166.6 | 74.7 | 0 | 0 | 112.5 | V781 V789 L806 K828 A829 S834 L835 I836 I1006 E1010 | V781-M832 HydrophobicContact CG2-SD 4.34Å; V789-M832 HydrophobicContact CB-SD 4.4Å; V789-M832 HydrophobicContact CG1-CE 3.78Å; V789-M832 HydrophobicContact CG1-SD 3.74Å; V789-M832 HydrophobicContact CG2-SD 3.75Å; L806-M832 HydrophobicContact CD1-CB 3.62Å; L806-M832 HydrophobicContact CD1-CE 4.3Å; L806-M832 HydrophobicContact CD1-SD 4.35Å; K828-M832 WeakPolarHBondContact O-CB 3.44Å; K828-M832 WeakPolarHBondContact O-CG 3.2Å; K828-M832 PolarHBondContact O-N 2.6Å; A829-M832 PolarHBondContact O-N 3.46Å; M832-S834 VanDerWaalsContact C-N 3.32Å; M832-S834 PolarHBondContact O-N 2.65Å; M832-L835 PolarHBondContact O-N 2.93Å; M832-L835 VanDerWaalsContact O-N 3.17Å; M832-I836 VanDerWaalsContact O-CG1 3.27Å; M832-I836 WeakPolarHBondContact O-CG1 3.48Å; M832-I836 PolarHBondContact O-N 3.3Å; M832-I1006 HydrophobicContact CE-CG1 4.11Å; M832-I1006 HydrophobicContact CE-CG2 4.49Å; M832-I1006 HydrophobicContact CG-CG1 4.17Å; M832-E1010 HydrophobicContact CE-CG 4.03Å; M832-E1010 HydrophobicContact CG-CG 4.14Å; M832-E1010 WeakPolarHBondContact CG-OE1 3.07Å; M832-E1010 HydrophobicContact SD-CG 3.87Å |
| 833 | A | 97.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60 | -44.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L806 A829 E831 L835 I836 V837 V849 | L806-A833 HydrophobicContact CD1-CB 4.36Å; L806-A833 HydrophobicContact CD2-CB 3.8Å; A829-A833 VanDerWaalsContact O-CB 3.31Å; A829-A833 WeakPolarHBondContact O-CB 3.28Å; A829-A833 PolarHBondContact O-N 3.05Å; E831-A833 PolarHBondContact O-N 3.22Å; A833-L835 VanDerWaalsContact C-N 3.31Å; A833-L835 PolarHBondContact O-N 3.48Å; A833-I836 PolarHBondContact O-N 3.32Å; A833-V837 WeakPolarHBondContact O-CG2 3.32Å; A833-V837 PolarHBondContact O-N 2.62Å; A833-V837 VanDerWaalsContact O-N 3.1Å; A833-V849 HydrophobicContact CB-CB 4.34Å; A833-V849 HydrophobicContact CB-CG1 3.7Å; A833-V849 HydrophobicContact CB-CG2 3.63Å |
| 834 | S | 95.9 | Very high | 93.4 | Very high | 51 Ų | 51 | 46.5 Ų | 46.5 | 36% | 0.357 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.5 | -39.7 | 176 | -61.9 | 0 | 0 | 0 | 0 | 112.1 | S830 E831 M832 T838 | S830-S834 VanDerWaalsContact O-CB 3.29Å; S830-S834 WeakPolarHBondContact O-CB 3.44Å; S830-S834 PolarHBondContact O-N 3.24Å; S830-S834 PolarHBondContact O-OG 2.81Å; E831-S834 WeakPolarHBondContact O-CB 3.38Å; E831-S834 PolarHBondContact O-N 3.39Å; M832-S834 VanDerWaalsContact C-N 3.32Å; M832-S834 PolarHBondContact O-N 2.65Å; S834-T838 WeakPolarHBondContact O-CB 3.34Å; S834-T838 PolarHBondContact O-N 3.08Å; S834-T838 PolarHBondContact O-OG1 2.82Å |
| 835 | L | 93.9 | Very high | 93.5 | Very high | 38 Ų | 38 | 48.7 Ų | 48.7 | 20% | 0.199 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -72.4 | -41.6 | 178.1 | -70.6 | 168.9 | 0 | 0 | 0 | 112.6 | E831 M832 A833 V837 T838 Q839 I1006 F1016 | E831-L835 HydrophobicContact CG-CD1 3.8Å; E831-L835 WeakPolarHBondContact O-CB 3.39Å; E831-L835 VanDerWaalsContact O-CG 3.3Å; E831-L835 WeakPolarHBondContact O-CG 3.14Å; E831-L835 PolarHBondContact O-N 3.4Å; M832-L835 PolarHBondContact O-N 2.93Å; M832-L835 VanDerWaalsContact O-N 3.17Å; A833-L835 VanDerWaalsContact C-N 3.31Å; A833-L835 PolarHBondContact O-N 3.48Å; L835-V837 VanDerWaalsContact C-N 3.34Å; L835-V837 PolarHBondContact O-N 2.74Å; L835-T838 PolarHBondContact O-N 3.49Å; L835-Q839 VanDerWaalsContact O-CB 3.3Å; L835-Q839 WeakPolarHBondContact O-CB 3.5Å; L835-Q839 WeakPolarHBondContact O-CG 3.43Å; L835-Q839 PolarHBondContact O-N 3.47Å; L835-I1006 HydrophobicContact CB-CD1 4.1Å; L835-I1006 HydrophobicContact CB-CG1 4.47Å; L835-I1006 HydrophobicContact CD1-CD1 3.62Å; L835-F1016 HydrophobicContact CD1-CE1 3.74Å; L835-F1016 HydrophobicContact CD1-CZ 4.01Å |
| 836 | I | 94.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -54.1 | -51.7 | 174.1 | -71 | 162.5 | 0 | 0 | 0 | 110.2 | L806 V808 M832 A833 R840 D841 L842 C844 I1006 | L806-I836 HydrophobicContact CD1-CD1 3.95Å; V808-I836 HydrophobicContact CG1-CG2 4.17Å; V808-I836 HydrophobicContact CG2-CD1 4.13Å; M832-I836 VanDerWaalsContact O-CG1 3.27Å; M832-I836 WeakPolarHBondContact O-CG1 3.48Å; M832-I836 PolarHBondContact O-N 3.3Å; A833-I836 PolarHBondContact O-N 3.32Å; I836-R840 WeakPolarHBondContact O-CA 3.11Å; I836-R840 PolarHBondContact O-N 3.23Å; I836-D841 PolarHBondContact O-N 3.43Å; I836-D841 VanDerWaalsContact O-N 3.07Å; I836-L842 HydrophobicContact CD1-CD1 3.91Å; I836-L842 HydrophobicContact CG1-CD1 4.02Å; I836-C844 HydrophobicContact CG2-CB 3.62Å; I836-I1006 HydrophobicContact CD1-CG2 4.29Å; I836-I1006 HydrophobicContact CG1-CG2 3.65Å |
| 837 | V | 94.6 | Very high | 93.1 | Very high | 23 Ų | 23 | 52.3 Ų | 52.3 | 14% | 0.139 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.6 | -48.9 | 179.5 | 172.3 | 0 | 0 | 0 | 0 | 111.7 | C813 A833 L835 Q839 R840 A846 V849 | C813-V837 HydrophobicContact CB-CG2 3.84Å; A833-V837 WeakPolarHBondContact O-CG2 3.32Å; A833-V837 PolarHBondContact O-N 2.62Å; A833-V837 VanDerWaalsContact O-N 3.1Å; L835-V837 VanDerWaalsContact C-N 3.34Å; L835-V837 PolarHBondContact O-N 2.74Å; V837-Q839 PolarHBondContact O-N 3.14Å; V837-R840 PolarHBondContact O-N 3.15Å; V837-A846 HydrophobicContact CG2-CB 4.33Å; V837-V849 HydrophobicContact CB-CG2 4.46Å; V837-V849 HydrophobicContact CG2-CG2 3.81Å |
| 838 | T | 93.2 | Very high | 93 | Very high | 115 Ų | 115 | 47.1 Ų | 47.1 | 71% | 0.706 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -67.9 | -37.9 | -174.2 | -58.3 | 0 | 0 | 0 | 0 | 112.7 | S834 L835 | S834-T838 WeakPolarHBondContact O-CB 3.34Å; S834-T838 PolarHBondContact O-N 3.08Å; S834-T838 PolarHBondContact O-OG1 2.82Å; L835-T838 PolarHBondContact O-N 3.49Å |
| 839 | Q | 91.4 | Very high | 93.1 | Very high | 111 Ų | 111 | 47.2 Ų | 47.2 | 52% | 0.519 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -91 | -7.9 | -178.7 | -57.8 | -171.4 | 5.3 | 0 | 0 | 113.1 | L835 V837 D841 | L835-Q839 VanDerWaalsContact O-CB 3.3Å; L835-Q839 WeakPolarHBondContact O-CB 3.5Å; L835-Q839 WeakPolarHBondContact O-CG 3.43Å; L835-Q839 PolarHBondContact O-N 3.47Å; V837-Q839 PolarHBondContact O-N 3.14Å; Q839-D841 HydrophobicContact CB-CB 4.36Å; Q839-D841 PolarHBondContact O-N 2.82Å |
| 840 | R | 91.3 | Very high | 93.1 | Very high | 162 Ų | 162 | 48.5 Ų | 48.5 | 61% | 0.611 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 35.3 | -168.5 | -59.2 | -178.9 | 175.9 | -126.2 | -5.2 | 112.6 | I836 V837 C844 | I836-R840 WeakPolarHBondContact O-CA 3.11Å; I836-R840 PolarHBondContact O-N 3.23Å; V837-R840 PolarHBondContact O-N 3.15Å; R840-C844 WeakPolarHBondContact CA-O 3.25Å; R840-C844 WeakPolarHBondContact CB-O 3.46Å |
| 841 | D | 90.7 | Very high | 93.1 | Very high | 16 Ų | 16 | 50.2 Ų | 50.2 | 9% | 0.086 | 28% | 0.275 | C | S | . | . | trans | -77.7 | 166.1 | 179.2 | -166.1 | 17.5 | 0 | 0 | 0 | 110.8 | I836 Q839 G843 C844 T1005 I1006 | I836-D841 PolarHBondContact O-N 3.43Å; I836-D841 VanDerWaalsContact O-N 3.07Å; Q839-D841 HydrophobicContact CB-CB 4.36Å; Q839-D841 PolarHBondContact O-N 2.82Å; D841-G843 PolarHBondContact O-N 2.58Å; D841-G843 VanDerWaalsContact O-N 3.1Å; D841-C844 WeakPolarHBondContact O-CB 3.34Å; D841-C844 PolarHBondContact O-N 2.86Å; D841-T1005 WeakPolarHBondContact OD1-CG2 3.39Å; D841-T1005 WeakPolarHBondContact OD2-CA 3.47Å; D841-T1005 WeakPolarHBondContact OD2-CB 3.48Å; D841-I1006 VanDerWaalsContact OD2-CG2 3.28Å; D841-I1006 WeakPolarHBondContact OD2-CG2 3.21Å; D841-I1006 PolarHBondContact OD2-N 3.14Å | ||
| 842 | L | 90.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 37.9 | -174.6 | -50.6 | -179.7 | 0 | 0 | 0 | 111.6 | Y773 M777 I779 V808 I836 C844 T1005 I1006 L1007 | Y773-L842 WeakPolarHBondContact CD2-O 3.28Å; Y773-L842 WeakPolarHBondContact CE2-O 3.34Å; M777-L842 HydrophobicContact CE-CB 4.26Å; M777-L842 HydrophobicContact CE-CD1 3.89Å; M777-L842 HydrophobicContact CE-CD2 4.26Å; M777-L842 HydrophobicContact CE-CG 4.36Å; I779-L842 HydrophobicContact CD1-CD1 3.93Å; V808-L842 HydrophobicContact CG1-CB 4.41Å; I836-L842 HydrophobicContact CD1-CD1 3.91Å; I836-L842 HydrophobicContact CG1-CD1 4.02Å; L842-C844 PolarHBondContact O-N 2.94Å; L842-T1005 HydrophobicContact CD2-CG2 3.97Å; L842-I1006 HydrophobicContact CD1-CG2 3.88Å; L842-I1006 HydrophobicContact CG-CG2 4.03Å; L842-L1007 HydrophobicContact CD1-CB 4.17Å; L842-L1007 HydrophobicContact CD2-CB 4.09Å |
| 843 | G | 85.7 | Confident | 93 | Very high | 19 Ų | 19 | 50 Ų | 50 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | 6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | D841 | D841-G843 PolarHBondContact O-N 2.58Å; D841-G843 VanDerWaalsContact O-N 3.1Å |
| 844 | C | 91.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.007 | 28% | 0.281 | C | S | . | . | trans | -74.6 | 136.2 | -173 | -164.9 | 0 | 0 | 0 | 0 | 111.9 | V808 T809 I836 R840 D841 L842 | V808-C844 HydrophobicContact CG1-CB 4.11Å; T809-C844 PolarHBondContact O-SG 2.85Å; I836-C844 HydrophobicContact CG2-CB 3.62Å; R840-C844 WeakPolarHBondContact CA-O 3.25Å; R840-C844 WeakPolarHBondContact CB-O 3.46Å; D841-C844 WeakPolarHBondContact O-CB 3.34Å; D841-C844 PolarHBondContact O-N 2.86Å; L842-C844 PolarHBondContact O-N 2.94Å | ||
| 845 | Q | 91.1 | Very high | 92.4 | Very high | 122 Ų | 122 | 52 Ų | 52 | 57% | 0.57 | 30% | 0.297 | S | S | * | . | trans | -124.6 | 17.7 | 175.7 | -49 | -170.3 | 21.7 | 0 | 0 | 112.5 | Q810 | Q810-Q845 WeakPolarHBondContact O-CA 3.42Å; Q810-Q845 WeakPolarHBondContact O-CB 3.45Å; Q810-Q845 PolarHBondContact O-N 3.38Å | ||
| 846 | A | 91.7 | Very high | 92 | Very high | 11 Ų | 11 | 55.8 Ų | 55.8 | 9% | 0.091 | 32% | 0.322 | C | S | . | . | trans | -57.2 | 149.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | S811 C813 V837 | S811-A846 WeakPolarHBondContact O-CA 3.37Å; S811-A846 VanDerWaalsContact O-CB 3.23Å; S811-A846 WeakPolarHBondContact O-CB 3.21Å; C813-A846 HydrophobicContact CB-CB 4.37Å; V837-A846 HydrophobicContact CG2-CB 4.33Å | ||
| 847 | T | 89.9 | Confident | 91.8 | Very high | 154 Ų | 154 | 58 Ų | 58 | 95% | 0.945 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -88.6 | -7 | 178.3 | 49.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 848 | G | 92.5 | Very high | 91.3 | Very high | 32 Ų | 32 | 58 Ų | 58 | 33% | 0.33 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -172.8 | 171.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 849 | V | 96 | Very high | 90.9 | Very high | 32 Ų | 32 | 59.4 Ų | 59.4 | 19% | 0.194 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 138.2 | 170.4 | -178.5 | 0 | 0 | 0 | 0 | 108.8 | L815 A833 V837 | L815-V849 HydrophobicContact CB-CG1 3.9Å; A833-V849 HydrophobicContact CB-CB 4.34Å; A833-V849 HydrophobicContact CB-CG1 3.7Å; A833-V849 HydrophobicContact CB-CG2 3.63Å; V837-V849 HydrophobicContact CB-CG2 4.46Å; V837-V849 HydrophobicContact CG2-CG2 3.81Å |
| 850 | V | 96 | Very high | 90.8 | Very high | 26 Ų | 26 | 55.8 Ų | 55.8 | 16% | 0.158 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 109.6 | 173.1 | 179.9 | 0 | 0 | 0 | 0 | 108.7 | C813 F814 L815 L852 Q862 | C813-V850 PolarHBondContact O-N 3.39Å; F814-V850 CarbonylContact C-O 3.53Å; F814-V850 VanDerWaalsContact CA-O 3.27Å; F814-V850 WeakPolarHBondContact CA-O 3.29Å; F814-V850 HydrophobicContact CD1-CB 3.6Å; F814-V850 HydrophobicContact CD1-CG1 3.52Å; F814-V850 HydrophobicContact CD1-CG2 4.35Å; F814-V850 HydrophobicContact CE1-CB 4.04Å; F814-V850 HydrophobicContact CE1-CG1 3.79Å; F814-V850 HydrophobicContact CE1-CG2 4.36Å; F814-V850 HydrophobicContact CG-CB 4.27Å; L815-V850 PolarHBondContact N-O 2.93Å; V850-L852 HydrophobicContact CG1-CG 4.5Å; V850-Q862 HydrophobicContact CG1-CB 3.82Å; V850-Q862 HydrophobicContact CG1-CG 4.09Å |
| 851 | H | 96.5 | Very high | 90.7 | Very high | 80 Ų | 80 | 56.8 Ų | 56.8 | 37% | 0.37 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 126.8 | -179.4 | -67 | -107.7 | 0 | 0 | 0 | 110.6 | N857 | H851-N857 PolarHBondContact O-ND2 2.8Å |
| 852 | L | 95.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 110.6 | 176.5 | -65 | 179.7 | 0 | 0 | 0 | 109 | F814 L815 W816 T817 V850 N857 A863 F866 | F814-L852 HydrophobicContact CD1-CD1 3.92Å; F814-L852 HydrophobicContact CD1-CG 4.49Å; L815-L852 PolarHBondContact O-N 2.91Å; W816-L852 CarbonylContact C-O 3.55Å; W816-L852 VanDerWaalsContact CA-O 3.3Å; W816-L852 WeakPolarHBondContact CA-O 3.5Å; W816-L852 HydrophobicContact CE3-CB 3.95Å; T817-L852 PolarHBondContact N-O 2.83Å; V850-L852 HydrophobicContact CG1-CG 4.5Å; L852-N857 VanDerWaalsContact CA-OD1 3.25Å; L852-N857 WeakPolarHBondContact CA-OD1 3.45Å; L852-A863 HydrophobicContact CD1-CB 4.18Å; L852-A863 HydrophobicContact CD2-CB 3.86Å; L852-F866 HydrophobicContact CD1-CB 3.52Å; L852-F866 HydrophobicContact CD1-CD1 3.8Å; L852-F866 HydrophobicContact CD1-CD2 3.86Å; L852-F866 HydrophobicContact CD1-CE1 4.44Å; L852-F866 HydrophobicContact CD1-CE2 4.49Å; L852-F866 HydrophobicContact CD1-CG 3.47Å; L852-F866 VanDerWaalsContact CD1-CG 3.47Å |
| 853 | D | 94.5 | Very high | 90.7 | Very high | 57 Ų | 57 | 61 Ų | 61 | 31% | 0.305 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 128.1 | -178.2 | -58.3 | -62.6 | 0 | 0 | 0 | 109.8 | T817 G855 V856 N857 | T817-D853 WeakPolarHBondContact CB-OD1 3.06Å; T817-D853 PolarHBondContact OG1-OD1 3.18Å; D853-G855 PolarHBondContact O-N 2.88Å; D853-V856 HydrophobicContact CB-CB 4.1Å; D853-V856 HydrophobicContact CB-CG2 4.06Å; D853-V856 PolarHBondContact O-N 2.65Å; D853-N857 PolarHBondContact N-OD1 2.76Å; D853-N857 PolarHBondContact O-N 2.8Å; D853-N857 PolarHBondContact O-OD1 2.86Å |
| 854 | E | 92.3 | Very high | 91.1 | Very high | 25 Ų | 25 | 63 Ų | 63 | 12% | 0.117 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 121.3 | -173.3 | -178.7 | 178.4 | -152.2 | 0 | 0 | 112.2 | S801 W816 T817 K819 V856 Y876 | S801-E854 WeakPolarHBondContact CA-OE2 3.37Å; S801-E854 WeakPolarHBondContact CB-OE2 3.33Å; S801-E854 VanDerWaalsContact OG-CD 3.32Å; S801-E854 PolarHBondContact OG-OE1 3.26Å; S801-E854 PolarHBondContact OG-OE2 3Å; S801-E854 VanDerWaalsContact OG-OE2 3.14Å; W816-E854 HydrophobicContact CH2-CB 4.25Å; W816-E854 HydrophobicContact CH2-CG 4.36Å; W816-E854 HydrophobicContact CZ2-CB 3.73Å; W816-E854 HydrophobicContact CZ2-CG 3.86Å; T817-E854 WeakPolarHBondContact O-CB 3.19Å; T817-E854 PolarHBondContact O-N 3Å; K819-E854 HydrophobicContact CB-CB 4.07Å; K819-E854 HydrophobicContact CB-CG 4.15Å; K819-E854 WeakPolarHBondContact CB-OE2 3.49Å; K819-E854 PolarHBondContact N-OE2 2.89Å; E854-V856 VanDerWaalsContact C-N 3.33Å; E854-Y876 WeakPolarHBondContact OE1-CE2 3.34Å; E854-Y876 PolarHBondContact OE1-OH 3.07Å |
| 855 | G | 86.7 | Confident | 91.2 | Very high | 68 Ų | 68 | 66.5 Ų | 66.5 | 70% | 0.701 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | 5.1 | -178 | 0 | 0 | 0 | 0 | 0 | 115.4 | D853 | D853-G855 PolarHBondContact O-N 2.88Š|
| 856 | V | 87 | Confident | 91.4 | Very high | 117 Ų | 117 | 60.7 Ų | 60.7 | 71% | 0.709 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.3 | -52 | 179.9 | -173.5 | 0 | 0 | 0 | 0 | 112.4 | D853 E854 | D853-V856 HydrophobicContact CB-CB 4.1Å; D853-V856 HydrophobicContact CB-CG2 4.06Å; D853-V856 PolarHBondContact O-N 2.65Å; E854-V856 VanDerWaalsContact C-N 3.33Å |
| 857 | N | 88.1 | Confident | 91.6 | Very high | 47 Ų | 47 | 60.9 Ų | 60.9 | 25% | 0.251 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -134.8 | 21.4 | -174.4 | 68.3 | -3.4 | 0 | 0 | 0 | 113.8 | H851 L852 D853 D859 S860 | H851-N857 PolarHBondContact O-ND2 2.8Å; L852-N857 VanDerWaalsContact CA-OD1 3.25Å; L852-N857 WeakPolarHBondContact CA-OD1 3.45Å; D853-N857 PolarHBondContact N-OD1 2.76Å; D853-N857 PolarHBondContact O-N 2.8Å; D853-N857 PolarHBondContact O-OD1 2.86Å; N857-D859 PolarHBondContact O-N 3.43Å; N857-D859 VanDerWaalsContact O-N 3.07Å; N857-S860 VanDerWaalsContact O-CB 3.26Å; N857-S860 WeakPolarHBondContact O-CB 3.48Å; N857-S860 PolarHBondContact O-N 2.9Å; N857-S860 VanDerWaalsContact O-N 3.12Å; N857-S860 PolarHBondContact O-OG 3.35Å |
| 858 | T | 84.5 | Confident | 91.9 | Very high | 22 Ų | 22 | 61 Ų | 61 | 14% | 0.135 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -17.5 | 179.7 | 51.7 | 0 | 0 | 0 | 0 | 115.3 | W816 A863 W867 | W816-T858 HydrophobicContact CH2-CG2 3.71Å; W816-T858 HydrophobicContact CZ3-CG2 3.92Å; T858-A863 VanDerWaalsContact C-CB 3.41Å; T858-A863 WeakPolarHBondContact O-CB 3.44Å; T858-W867 PolarHBondContact O-NE1 2.85Å; T858-W867 VanDerWaalsContact O-NE1 3.1Å |
| 859 | D | 86 | Confident | 92 | Very high | 145 Ų | 145 | 62 Ų | 62 | 78% | 0.775 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | 3.9 | -172.8 | -58.7 | 14.9 | 0 | 0 | 0 | 111.4 | N857 | N857-D859 PolarHBondContact O-N 3.43Å; N857-D859 VanDerWaalsContact O-N 3.07Å |
| 860 | S | 89.5 | Confident | 91.9 | Very high | 36 Ų | 36 | 60.6 Ų | 60.6 | 25% | 0.252 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -68.2 | 159.4 | 179.1 | 65.4 | 0 | 0 | 0 | 0 | 112.5 | N857 Q862 A863 A864 | N857-S860 VanDerWaalsContact O-CB 3.26Å; N857-S860 WeakPolarHBondContact O-CB 3.48Å; N857-S860 PolarHBondContact O-N 2.9Å; N857-S860 VanDerWaalsContact O-N 3.12Å; N857-S860 PolarHBondContact O-OG 3.35Å; S860-Q862 PolarHBondContact O-N 3.49Å; S860-Q862 VanDerWaalsContact O-N 3.16Å; S860-A863 WeakPolarHBondContact O-CB 3.46Å; S860-A863 PolarHBondContact O-N 3.18Å; S860-A863 WeakPolarHBondContact OG-CB 3.49Å; S860-A863 PolarHBondContact OG-N 3.36Å; S860-A863 VanDerWaalsContact OG-N 3.08Å; S860-A864 PolarHBondContact O-N 2.83Å |
| 861 | Q | 88.5 | Confident | 91.7 | Very high | 182 Ų | 182 | 63.1 Ų | 63.1 | 85% | 0.85 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -57.9 | -29.7 | 173.7 | -176.3 | 178.2 | -9.2 | 0 | 0 | 112.5 | E865 | Q861-E865 PolarHBondContact O-N 3.12Å |
| 862 | Q | 89.5 | Confident | 91.4 | Very high | 106 Ų | 106 | 60.5 Ų | 60.5 | 50% | 0.495 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -71 | -44.4 | 174 | -75.7 | 171.7 | -19.9 | 0 | 0 | 111.7 | F814 V850 S860 A864 E865 F866 | F814-Q862 WeakPolarHBondContact CE1-O 3.47Å; V850-Q862 HydrophobicContact CG1-CB 3.82Å; V850-Q862 HydrophobicContact CG1-CG 4.09Å; S860-Q862 PolarHBondContact O-N 3.49Å; S860-Q862 VanDerWaalsContact O-N 3.16Å; Q862-A864 VanDerWaalsContact C-N 3.3Å; Q862-A864 PolarHBondContact O-N 3.02Å; Q862-E865 PolarHBondContact O-N 3.05Å; Q862-E865 VanDerWaalsContact O-N 3.12Å; Q862-F866 PolarHBondContact O-N 3.41Å; Q862-F866 VanDerWaalsContact O-N 3.08Å |
| 863 | A | 91.9 | Very high | 91 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.6 | -36.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L852 T858 S860 E865 F866 W867 | L852-A863 HydrophobicContact CD1-CB 4.18Å; L852-A863 HydrophobicContact CD2-CB 3.86Å; T858-A863 VanDerWaalsContact C-CB 3.41Å; T858-A863 WeakPolarHBondContact O-CB 3.44Å; S860-A863 WeakPolarHBondContact O-CB 3.46Å; S860-A863 PolarHBondContact O-N 3.18Å; S860-A863 WeakPolarHBondContact OG-CB 3.49Å; S860-A863 PolarHBondContact OG-N 3.36Å; S860-A863 VanDerWaalsContact OG-N 3.08Å; A863-E865 PolarHBondContact O-N 3.46Å; A863-F866 WeakPolarHBondContact O-CB 3.48Å; A863-F866 PolarHBondContact O-N 2.95Å; A863-F866 VanDerWaalsContact O-N 3.13Å; A863-W867 PolarHBondContact O-N 3.03Å |
| 864 | A | 93.2 | Very high | 90.6 | Very high | 60 Ų | 60 | 66.1 Ų | 66.1 | 50% | 0.496 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.3 | -30.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S860 Q862 K868 | S860-A864 PolarHBondContact O-N 2.83Å; Q862-A864 VanDerWaalsContact C-N 3.3Å; Q862-A864 PolarHBondContact O-N 3.02Å; A864-K868 VanDerWaalsContact O-CB 3.22Å; A864-K868 WeakPolarHBondContact O-CB 3.25Å; A864-K868 PolarHBondContact O-N 2.99Å |
| 865 | E | 94.1 | Very high | 90.1 | Very high | 74 Ų | 74 | 70.9 Ų | 70.9 | 35% | 0.346 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -78.2 | -40 | 171.3 | -176.1 | 157.7 | -148.4 | 0 | 0 | 112.6 | H812 F814 Q861 Q862 A863 K868 L869 | H812-E865 VanDerWaalsContact CE1-CD 3.44Å; H812-E865 IonicContact CE1-OE1 3.72Å; H812-E865 PolarHBondContact CE1-OE1 2.97Å; H812-E865 VanDerWaalsContact CE1-OE1 3.28Å; H812-E865 IonicContact CE1-OE2 2.76Å; H812-E865 PolarHBondContact CE1-OE2 2.78Å; H812-E865 VanDerWaalsContact CE1-OE2 3.31Å; H812-E865 IonicContact ND1-OE1 3.49Å; H812-E865 IonicContact ND1-OE2 3.16Å; F814-E865 HydrophobicContact CZ-CB 4.33Å; F814-E865 HydrophobicContact CZ-CG 4.23Å; Q861-E865 PolarHBondContact O-N 3.12Å; Q862-E865 PolarHBondContact O-N 3.05Å; Q862-E865 VanDerWaalsContact O-N 3.12Å; A863-E865 PolarHBondContact O-N 3.46Å; E865-K868 PolarHBondContact O-N 3.13Å; E865-L869 HydrophobicContact CG-CD1 4.18Å; E865-L869 HydrophobicContact CG-CG 4.46Å; E865-L869 WeakPolarHBondContact O-CG 3.36Å; E865-L869 PolarHBondContact O-N 3.39Å |
| 866 | F | 95.9 | Very high | 90 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -56.1 | -51.9 | 172.2 | 170.1 | -96 | 0 | 0 | 0 | 112.1 | L799 L807 F814 W816 L852 Q862 A863 K868 L869 L870 | L799-F866 HydrophobicContact CD1-CE1 4.02Å; L799-F866 HydrophobicContact CD1-CZ 3.93Å; L799-F866 HydrophobicContact CD2-CZ 4.45Å; L807-F866 HydrophobicContact CB-CD2 4.08Å; L807-F866 HydrophobicContact CB-CE2 3.91Å; L807-F866 HydrophobicContact CD2-CD2 3.51Å; L807-F866 HydrophobicContact CD2-CE2 3.88Å; L807-F866 HydrophobicContact CD2-CG 4.29Å; L807-F866 HydrophobicContact CG-CD2 4.45Å; F814-F866 HydrophobicContact CB-CD2 3.74Å; F814-F866 HydrophobicContact CB-CE2 4.27Å; F814-F866 HydrophobicContact CD1-CB 3.93Å; F814-F866 HydrophobicContact CD1-CD2 4.27Å; F814-F866 HydrophobicContact CD2-CD2 4.3Å; F814-F866 HydrophobicContact CE1-CB 3.98Å; F814-F866 HydrophobicContact CG-CB 4.26Å; F814-F866 AromaticContact CG-CD2 3.88Å; F814-F866 HydrophobicContact CG-CD2 3.88Å; F814-F866 HydrophobicContact CZ-CB 4.34Å; W816-F866 HydrophobicContact CB-CE2 4.11Å; W816-F866 HydrophobicContact CB-CZ 3.79Å; W816-F866 HydrophobicContact CD2-CE1 4.19Å; W816-F866 HydrophobicContact CD2-CZ 4.04Å; W816-F866 HydrophobicContact CE3-CD1 4.36Å; W816-F866 AromaticContact CE3-CE1 3.53Å; W816-F866 HydrophobicContact CE3-CE1 3.53Å; W816-F866 AromaticContact CE3-CZ 3.76Å; W816-F866 HydrophobicContact CE3-CZ 3.76Å; W816-F866 HydrophobicContact CG-CZ 4.07Å; W816-F866 HydrophobicContact CZ3-CE1 4.04Å; L852-F866 HydrophobicContact CD1-CB 3.52Å; L852-F866 HydrophobicContact CD1-CD1 3.8Å; L852-F866 HydrophobicContact CD1-CD2 3.86Å; L852-F866 HydrophobicContact CD1-CE1 4.44Å; L852-F866 HydrophobicContact CD1-CE2 4.49Å; L852-F866 HydrophobicContact CD1-CG 3.47Å; L852-F866 VanDerWaalsContact CD1-CG 3.47Å; Q862-F866 PolarHBondContact O-N 3.41Å; Q862-F866 VanDerWaalsContact O-N 3.08Å; A863-F866 WeakPolarHBondContact O-CB 3.48Å; A863-F866 PolarHBondContact O-N 2.95Å; A863-F866 VanDerWaalsContact O-N 3.13Å; F866-K868 VanDerWaalsContact C-N 3.33Å; F866-K868 PolarHBondContact O-N 2.98Å; F866-L869 WeakPolarHBondContact O-CB 3.41Å; F866-L869 PolarHBondContact O-N 3.22Å; F866-L869 VanDerWaalsContact O-N 3.15Å; F866-L870 HydrophobicContact CD1-CD1 4.14Å; F866-L870 HydrophobicContact CD2-CD1 4.49Å; F866-L870 HydrophobicContact CE1-CD1 3.62Å; F866-L870 HydrophobicContact CE2-CD1 4.02Å; F866-L870 HydrophobicContact CZ-CD1 3.56Å; F866-L870 PolarHBondContact O-N 3.45Å; F866-L870 VanDerWaalsContact O-N 3.08Å |
| 867 | W | 95.6 | Very high | 89.3 | Confident | 15 Ų | 15 | 69.2 Ų | 69.2 | 6% | 0.057 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61 | -41.1 | 176.6 | -64.2 | 126.9 | 0 | 0 | 0 | 112.1 | L799 W816 T858 A863 L869 L870 G871 G872 Q873 Y876 | L799-W867 HydrophobicContact CD1-CH2 4.02Å; L799-W867 HydrophobicContact CD1-CZ3 3.75Å; W816-W867 HydrophobicContact CE3-CH2 4.44Å; W816-W867 HydrophobicContact CE3-CZ2 4.47Å; W816-W867 AromaticContact CH2-CH2 3.63Å; W816-W867 HydrophobicContact CH2-CH2 3.63Å; W816-W867 AromaticContact CH2-CZ2 3.6Å; W816-W867 HydrophobicContact CH2-CZ2 3.6Å; W816-W867 HydrophobicContact CZ2-CH2 4.32Å; W816-W867 AromaticContact CZ3-CH2 3.7Å; W816-W867 HydrophobicContact CZ3-CH2 3.7Å; W816-W867 AromaticContact CZ3-CZ2 3.47Å; W816-W867 HydrophobicContact CZ3-CZ2 3.47Å; W816-W867 VanDerWaalsContact CZ3-CZ2 3.47Å; T858-W867 PolarHBondContact O-NE1 2.85Å; T858-W867 VanDerWaalsContact O-NE1 3.1Å; A863-W867 PolarHBondContact O-N 3.03Å; W867-L869 VanDerWaalsContact C-N 3.31Å; W867-L869 PolarHBondContact O-N 3.13Å; W867-L870 HydrophobicContact CE3-CD1 4.44Å; W867-L870 CarbonylContact O-C 3.57Å; W867-L870 PolarHBondContact O-N 3.02Å; W867-G871 PolarHBondContact O-N 2.86Å; W867-G872 CarbonylContact O-C 3.58Å; W867-G872 WeakPolarHBondContact O-CA 3.21Å; W867-G872 PolarHBondContact O-N 2.93Å; W867-Q873 HydrophobicContact CB-CB 4.31Å; W867-Q873 HydrophobicContact CD2-CB 3.76Å; W867-Q873 HydrophobicContact CD2-CG 3.79Å; W867-Q873 HydrophobicContact CE3-CB 3.89Å; W867-Q873 HydrophobicContact CE3-CG 3.89Å; W867-Q873 HydrophobicContact CG-CB 3.94Å; W867-Q873 HydrophobicContact CG-CG 4.37Å; W867-Q873 HydrophobicContact CH2-CG 4.17Å; W867-Q873 HydrophobicContact CZ2-CG 4.04Å; W867-Q873 HydrophobicContact CZ3-CG 4.08Å; W867-Y876 AromaticContact CH2-CE1 3.94Å; W867-Y876 HydrophobicContact CH2-CE1 3.94Å |
| 868 | K | 94.8 | Very high | 88.2 | Confident | 158 Ų | 158 | 69.2 Ų | 69.2 | 69% | 0.687 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62 | -36.8 | 175.7 | 176 | -170.4 | 170.9 | -162 | 0 | 112.4 | A864 E865 F866 G871 | A864-K868 VanDerWaalsContact O-CB 3.22Å; A864-K868 WeakPolarHBondContact O-CB 3.25Å; A864-K868 PolarHBondContact O-N 2.99Å; E865-K868 PolarHBondContact O-N 3.13Å; F866-K868 VanDerWaalsContact C-N 3.33Å; F866-K868 PolarHBondContact O-N 2.98Å; K868-G871 PolarHBondContact O-N 2.83Å |
| 869 | L | 94.8 | Very high | 87 | Confident | 51 Ų | 51 | 70.7 Ų | 70.7 | 27% | 0.267 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -69.4 | -35.5 | 175.9 | -73.7 | 167.7 | 0 | 0 | 0 | 112 | L776 L807 T809 F814 E865 F866 W867 G871 | L776-L869 HydrophobicContact CD1-CB 4.21Å; L776-L869 HydrophobicContact CD1-CD2 4.37Å; L776-L869 VanDerWaalsContact CD2-O 3.29Å; L776-L869 WeakPolarHBondContact CD2-O 3.19Å; L807-L869 HydrophobicContact CD2-CB 3.89Å; L807-L869 HydrophobicContact CD2-CD1 4.33Å; T809-L869 HydrophobicContact CG2-CD1 4.13Å; T809-L869 HydrophobicContact CG2-CD2 4.26Å; F814-L869 HydrophobicContact CD2-CD1 4.46Å; F814-L869 HydrophobicContact CE2-CD1 3.63Å; F814-L869 HydrophobicContact CZ-CD1 4.33Å; E865-L869 HydrophobicContact CG-CD1 4.18Å; E865-L869 HydrophobicContact CG-CG 4.46Å; E865-L869 WeakPolarHBondContact O-CG 3.36Å; E865-L869 PolarHBondContact O-N 3.39Å; F866-L869 WeakPolarHBondContact O-CB 3.41Å; F866-L869 PolarHBondContact O-N 3.22Å; F866-L869 VanDerWaalsContact O-N 3.15Å; W867-L869 VanDerWaalsContact C-N 3.31Å; W867-L869 PolarHBondContact O-N 3.13Å; L869-G871 PolarHBondContact O-N 3.45Å |
| 870 | L | 94.5 | Very high | 85.6 | Confident | 4 Ų | 4 | 67 Ų | 67 | 2% | 0.021 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 11 | 174.3 | -63.8 | 177.5 | 0 | 0 | 0 | 114.3 | L778 P794 L799 L807 F866 W867 G872 | L778-L870 HydrophobicContact CD2-CD2 4.16Å; P794-L870 HydrophobicContact CB-CD2 4.49Å; L799-L870 HydrophobicContact CD1-CD1 3.99Å; L807-L870 HydrophobicContact CD1-CD2 3.72Å; L807-L870 HydrophobicContact CD2-CD1 4.44Å; L807-L870 HydrophobicContact CD2-CD2 3.92Å; L807-L870 HydrophobicContact CD2-CG 3.85Å; L807-L870 HydrophobicContact CG-CD2 4.44Å; F866-L870 HydrophobicContact CD1-CD1 4.14Å; F866-L870 HydrophobicContact CD2-CD1 4.49Å; F866-L870 HydrophobicContact CE1-CD1 3.62Å; F866-L870 HydrophobicContact CE2-CD1 4.02Å; F866-L870 HydrophobicContact CZ-CD1 3.56Å; F866-L870 PolarHBondContact O-N 3.45Å; F866-L870 VanDerWaalsContact O-N 3.08Å; W867-L870 HydrophobicContact CE3-CD1 4.44Å; W867-L870 CarbonylContact O-C 3.57Å; W867-L870 PolarHBondContact O-N 3.02Å; L870-G872 VanDerWaalsContact C-N 3.29Å; L870-G872 PolarHBondContact O-N 3.01Å |
| 871 | G | 91.8 | Very high | 83.9 | Confident | 78 Ų | 78 | 68 Ų | 68 | 80% | 0.804 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | -2.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | W867 K868 L869 | W867-G871 PolarHBondContact O-N 2.86Å; K868-G871 PolarHBondContact O-N 2.83Å; L869-G871 PolarHBondContact O-N 3.45Å |
| 872 | G | 89.4 | Confident | 82.5 | Confident | 25 Ų | 25 | 63.7 Ų | 63.7 | 26% | 0.258 | 38% | 0.378 | S | S | . | . | S | Bend | trans | 139.9 | 172.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S796 W867 L870 | S796-G872 VanDerWaalsContact CB-O 3.25Å; S796-G872 WeakPolarHBondContact CB-O 3.2Å; S796-G872 PolarHBondContact OG-O 3.02Å; W867-G872 CarbonylContact O-C 3.58Å; W867-G872 WeakPolarHBondContact O-CA 3.21Å; W867-G872 PolarHBondContact O-N 2.93Å; L870-G872 VanDerWaalsContact C-N 3.29Å; L870-G872 PolarHBondContact O-N 3.01Å |
| 873 | Q | 88.8 | Confident | 80.9 | Confident | 118 Ų | 118 | 63.4 Ų | 63.4 | 55% | 0.551 | 38% | 0.377 | S | S | * | . | trans | -94.3 | 103 | 169.8 | -171.8 | -179.8 | 18.4 | 0 | 0 | 108.7 | W867 | W867-Q873 HydrophobicContact CB-CB 4.31Å; W867-Q873 HydrophobicContact CD2-CB 3.76Å; W867-Q873 HydrophobicContact CD2-CG 3.79Å; W867-Q873 HydrophobicContact CE3-CB 3.89Å; W867-Q873 HydrophobicContact CE3-CG 3.89Å; W867-Q873 HydrophobicContact CG-CB 3.94Å; W867-Q873 HydrophobicContact CG-CG 4.37Å; W867-Q873 HydrophobicContact CH2-CG 4.17Å; W867-Q873 HydrophobicContact CZ2-CG 4.04Å; W867-Q873 HydrophobicContact CZ3-CG 4.08Å | ||
| 874 | T | 85.8 | Confident | 80.2 | Confident | 58 Ų | 58 | 66.4 Ų | 66.4 | 36% | 0.356 | 39% | 0.393 | S | S | . | . | trans | -96.1 | 163 | 167.5 | 67.3 | 0 | 0 | 0 | 0 | 110.1 | S796 H797 | S796-T874 PolarHBondContact OG-N 3.03Å; S796-T874 PolarHBondContact OG-OG1 3.44Å; H797-T874 PolarHBondContact N-OG1 3.1Å | ||
| 875 | P | 82.3 | Confident | 79.8 | Confident | 125 Ų | 125 | 64 Ų | 64 | 81% | 0.812 | 37% | 0.372 | S | S | * | . | trans | -53.6 | 145.7 | 157.8 | -22.1 | 34.1 | 0 | 0 | 0 | 110.4 | ||||
| 876 | Y | 83.2 | Confident | 79.3 | Confident | 61 Ų | 61 | 62.9 Ų | 62.9 | 24% | 0.239 | 37% | 0.367 | C | S | . | . | trans | -139.2 | 171.8 | 177.1 | 58.2 | -103.2 | 0 | 0 | 0 | 108.4 | S796 L799 W816 E854 W867 | S796-Y876 WeakPolarHBondContact O-CB 3.47Å; L799-Y876 HydrophobicContact CB-CD2 4.37Å; L799-Y876 HydrophobicContact CB-CG 4.15Å; L799-Y876 WeakPolarHBondContact O-CB 3.2Å; W816-Y876 HydrophobicContact CZ2-CE1 4.42Å; W816-Y876 AromaticContact CZ2-CZ 3.94Å; W816-Y876 WeakPolarHBondContact CZ2-OH 3.42Å; E854-Y876 WeakPolarHBondContact OE1-CE2 3.34Å; E854-Y876 PolarHBondContact OE1-OH 3.07Å; W867-Y876 AromaticContact CH2-CE1 3.94Å; W867-Y876 HydrophobicContact CH2-CE1 3.94Å | ||
| 877 | K | 73.4 | Confident | 78.8 | Confident | 88 Ų | 88 | 67.6 Ų | 67.6 | 38% | 0.383 | 39% | 0.391 | S | S | . | . | B | Isolated β-bridge | trans | -71.3 | 142.4 | -172.4 | -68 | -171.9 | -177.2 | -177.4 | 0 | 112.2 | N800 S801 S977 | N800-K877 CarbonylContact C-O 3.59Å; N800-K877 WeakPolarHBondContact CA-O 3.25Å; N800-K877 HydrophobicContact CB-CB 4.05Å; N800-K877 WeakPolarHBondContact CB-O 3.32Å; S801-K877 PolarHBondContact N-O 3.07Å; K877-S977 PolarHBondContact NZ-O 3.38Å |
| 878 | G | 64.4 | Low | 78.5 | Confident | 47 Ų | 47 | 67.6 Ų | 67.6 | 49% | 0.485 | 39% | 0.391 | S | S | . | . | trans | -63.2 | 178.3 | 158.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | D880 | G878-D880 PolarHBondContact O-N 2.88Š| ||
| 879 | S | 60.3 | Low | 78.2 | Confident | 53 Ų | 53 | 61 Ų | 61 | 37% | 0.371 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 128.6 | 177.3 | -166.6 | 0 | 0 | 0 | 0 | 110.9 | G802 L820 | G802-S879 WeakPolarHBondContact CA-OG 3.32Å; L820-S879 VanDerWaalsContact CD1-CB 3.45Å |
| 880 | D | 56.2 | Low | 77.8 | Confident | 68 Ų | 68 | 63 Ų | 63 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 173.2 | 154.5 | -58.7 | -50.2 | 0 | 0 | 0 | 108.9 | G878 D884 | G878-D880 PolarHBondContact O-N 2.88Å; D880-D884 HydrophobicContact CB-CB 4.2Å |
| 881 | S | 53.8 | Low | 77.5 | Confident | 58 Ų | 58 | 63.3 Ų | 63.3 | 41% | 0.406 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -77.3 | 163.8 | -170.9 | 78.9 | 0 | 0 | 0 | 0 | 113.3 | E883 D884 | S881-E883 PolarHBondContact O-N 3.41Å; S881-E883 PolarHBondContact OG-N 3.47Å; S881-D884 WeakPolarHBondContact CA-OD2 3.24Å; S881-D884 VanDerWaalsContact CB-OD2 3.29Å; S881-D884 WeakPolarHBondContact CB-OD2 2.96Å; S881-D884 PolarHBondContact N-OD2 3.36Å; S881-D884 WeakPolarHBondContact O-CB 3.45Å; S881-D884 PolarHBondContact O-N 3.5Å; S881-D884 PolarHBondContact OG-N 2.93Å; S881-D884 PolarHBondContact OG-OD2 2.88Å |
| 882 | V | 58 | Low | 77.5 | Confident | 91 Ų | 91 | 59.6 Ų | 59.6 | 55% | 0.552 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -63.7 | -23.7 | 173.5 | -176.7 | 0 | 0 | 0 | 0 | 111.8 | W784 D884 | W784-V882 HydrophobicContact CD2-CG1 4.46Å; W784-V882 HydrophobicContact CE3-CG1 3.91Å; W784-V882 HydrophobicContact CH2-CG1 4.06Å; W784-V882 HydrophobicContact CZ3-CG1 3.69Å; V882-D884 VanDerWaalsContact C-N 3.3Å |
| 883 | E | 56.6 | Low | 77.5 | Confident | 99 Ų | 99 | 59.4 Ų | 59.4 | 46% | 0.463 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -72.2 | -25.4 | 174.7 | -55.5 | -159.2 | 126.1 | 0 | 0 | 112.4 | H126 S881 D885 E886 L887 | H126-E883 IonicContact CE1-OE1 3.95Å; H126-E883 PolarHBondContact CE1-OE1 3.17Å; S881-E883 PolarHBondContact O-N 3.41Å; S881-E883 PolarHBondContact OG-N 3.47Å; E883-D885 VanDerWaalsContact C-N 3.29Å; E883-D885 PolarHBondContact O-N 2.98Å; E883-E886 PolarHBondContact O-N 2.83Å; E883-L887 WeakPolarHBondContact O-CG 3.47Å; E883-L887 PolarHBondContact O-N 2.91Å |
| 884 | D | 76.9 | Confident | 77.4 | Confident | 63 Ų | 63 | 56.6 Ų | 56.6 | 34% | 0.337 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -69.2 | -24.3 | 179.7 | -67.3 | -68.6 | 0 | 0 | 0 | 112.7 | D880 S881 V882 L887 Y888 | D880-D884 HydrophobicContact CB-CB 4.2Å; S881-D884 WeakPolarHBondContact CA-OD2 3.24Å; S881-D884 VanDerWaalsContact CB-OD2 3.29Å; S881-D884 WeakPolarHBondContact CB-OD2 2.96Å; S881-D884 PolarHBondContact N-OD2 3.36Å; S881-D884 WeakPolarHBondContact O-CB 3.45Å; S881-D884 PolarHBondContact O-N 3.5Å; S881-D884 PolarHBondContact OG-N 2.93Å; S881-D884 PolarHBondContact OG-OD2 2.88Å; V882-D884 VanDerWaalsContact C-N 3.3Å; D884-L887 PolarHBondContact O-N 3.46Å; D884-Y888 WeakPolarHBondContact O-CB 3.43Å; D884-Y888 PolarHBondContact O-N 2.9Å |
| 885 | D | 86.4 | Confident | 77.5 | Confident | 10 Ų | 10 | 53.8 Ų | 53.8 | 5% | 0.053 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.3 | -50.5 | 174.3 | -77 | -16.2 | 0 | 0 | 0 | 112 | K782 W784 E883 L887 Y888 E889 | K782-D885 WeakPolarHBondContact CE-OD1 3.35Å; K782-D885 IonicContact NZ-OD1 2.69Å; K782-D885 PolarHBondContact NZ-OD1 2.9Å; W784-D885 HydrophobicContact CB-CB 3.71Å; E883-D885 VanDerWaalsContact C-N 3.29Å; E883-D885 PolarHBondContact O-N 2.98Å; D885-L887 PolarHBondContact O-N 2.95Å; D885-Y888 PolarHBondContact O-N 2.85Å; D885-E889 WeakPolarHBondContact O-CG 3.4Å; D885-E889 PolarHBondContact O-N 3.03Å |
| 886 | E | 82.2 | Confident | 78 | Confident | 51 Ų | 51 | 47.9 Ų | 47.9 | 24% | 0.238 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.1 | -26 | 178.6 | -92.5 | -136.3 | -154.1 | 0 | 0 | 112.2 | W784 R785 E883 K890 | W784-E886 HydrophobicContact CB-CG 4.19Å; W784-E886 HydrophobicContact CG-CG 4.27Å; R785-E886 IonicContact CZ-OE1 3.26Å; R785-E886 IonicContact NE-OE1 2.67Å; R785-E886 PolarHBondContact NE-OE1 2.95Å; R785-E886 IonicContact NH2-OE1 3.02Å; R785-E886 PolarHBondContact NH2-OE1 2.71Å; E883-E886 PolarHBondContact O-N 2.83Å; E886-K890 WeakPolarHBondContact O-CD 3.49Å; E886-K890 WeakPolarHBondContact O-CG 3.22Å; E886-K890 PolarHBondContact O-NZ 2.85Å; E886-K890 IonicContact OE2-NZ 3.6Å; E886-K890 PolarHBondContact OE2-NZ 2.87Å |
| 887 | L | 84.7 | Confident | 78.3 | Confident | 99 Ų | 99 | 45.8 Ų | 45.8 | 52% | 0.518 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -77.7 | -41.7 | 172.3 | -67.5 | 173.6 | 0 | 0 | 0 | 111.6 | E883 D884 D885 K890 A891 | E883-L887 WeakPolarHBondContact O-CG 3.47Å; E883-L887 PolarHBondContact O-N 2.91Å; D884-L887 PolarHBondContact O-N 3.46Å; D885-L887 PolarHBondContact O-N 2.95Å; L887-K890 PolarHBondContact O-N 3.3Å; L887-A891 VanDerWaalsContact O-CB 3.24Å; L887-A891 WeakPolarHBondContact O-CB 3.41Å; L887-A891 PolarHBondContact O-N 3.11Å |
| 888 | Y | 89.5 | Confident | 79.3 | Confident | 14 Ų | 14 | 41.6 Ų | 41.6 | 6% | 0.055 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.5 | -49.7 | 177.1 | 173.6 | -103.5 | 0 | 0 | 0 | 111.7 | K782 Q788 D884 D885 K890 A891 I892 I971 P976 | K782-Y888 HydrophobicContact CB-CD1 4.05Å; K782-Y888 HydrophobicContact CB-CE1 3.63Å; K782-Y888 HydrophobicContact CD-CD1 3.75Å; K782-Y888 HydrophobicContact CD-CD2 4.23Å; K782-Y888 HydrophobicContact CD-CE1 3.97Å; K782-Y888 HydrophobicContact CD-CE2 4.46Å; K782-Y888 HydrophobicContact CD-CG 3.89Å; K782-Y888 HydrophobicContact CG-CD1 3.72Å; K782-Y888 HydrophobicContact CG-CE1 3.85Å; K782-Y888 HydrophobicContact CG-CG 4.36Å; Q788-Y888 HydrophobicContact CB-CE1 3.82Å; D884-Y888 WeakPolarHBondContact O-CB 3.43Å; D884-Y888 PolarHBondContact O-N 2.9Å; D885-Y888 PolarHBondContact O-N 2.85Å; Y888-K890 VanDerWaalsContact C-N 3.28Å; Y888-K890 PolarHBondContact O-N 3.48Å; Y888-A891 PolarHBondContact O-N 3.39Å; Y888-I892 HydrophobicContact CE1-CG2 4.33Å; Y888-I892 HydrophobicContact CE2-CB 4.37Å; Y888-I892 HydrophobicContact CE2-CG1 4.48Å; Y888-I892 WeakPolarHBondContact O-CB 3.31Å; Y888-I892 VanDerWaalsContact O-CG2 3.25Å; Y888-I892 WeakPolarHBondContact O-CG2 3.36Å; Y888-I892 PolarHBondContact O-N 3.38Å; Y888-I971 HydrophobicContact CD2-CD1 3.47Å; Y888-I971 VanDerWaalsContact CD2-CD1 3.47Å; Y888-I971 HydrophobicContact CE2-CD1 3.73Å; Y888-P976 HydrophobicContact CE2-CB 3.87Å |
| 889 | E | 89.9 | Confident | 80.7 | Confident | 20 Ų | 20 | 39.9 Ų | 39.9 | 9% | 0.093 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -51.8 | -46.6 | 176.9 | -76.5 | 179.4 | 177.7 | 0 | 0 | 112.5 | W784 R785 Q786 Q788 D885 S893 | W784-E889 PolarHBondContact N-OE1 2.81Å; R785-E889 PolarHBondContact N-OE1 2.78Å; Q786-E889 PolarHBondContact N-OE1 2.87Å; Q788-E889 HydrophobicContact CG-CG 4.35Å; D885-E889 WeakPolarHBondContact O-CG 3.4Å; D885-E889 PolarHBondContact O-N 3.03Å; E889-S893 WeakPolarHBondContact O-CB 3.4Å; E889-S893 PolarHBondContact O-N 2.88Å; E889-S893 PolarHBondContact O-OG 2.93Å |
| 890 | K | 85.5 | Confident | 82.3 | Confident | 94 Ų | 94 | 40.5 Ų | 40.5 | 41% | 0.409 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -72 | -43.9 | -179.2 | -61.9 | 177.5 | -169 | 84.3 | 0 | 110.9 | E886 L887 Y888 S893 E894 | E886-K890 WeakPolarHBondContact O-CD 3.49Å; E886-K890 WeakPolarHBondContact O-CG 3.22Å; E886-K890 PolarHBondContact O-NZ 2.85Å; E886-K890 IonicContact OE2-NZ 3.6Å; E886-K890 PolarHBondContact OE2-NZ 2.87Å; L887-K890 PolarHBondContact O-N 3.3Å; Y888-K890 VanDerWaalsContact C-N 3.28Å; Y888-K890 PolarHBondContact O-N 3.48Å; K890-S893 PolarHBondContact O-OG 2.69Å; K890-E894 WeakPolarHBondContact O-CB 3.27Å; K890-E894 VanDerWaalsContact O-CG 3.32Å; K890-E894 WeakPolarHBondContact O-CG 3.33Å; K890-E894 PolarHBondContact O-N 3.28Å; K890-E894 VanDerWaalsContact O-N 3.12Å |
| 891 | A | 88.7 | Confident | 84 | Confident | 9 Ų | 9 | 38.5 Ų | 38.5 | 7% | 0.074 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.7 | -40.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L887 Y888 R970 I971 | L887-A891 VanDerWaalsContact O-CB 3.24Å; L887-A891 WeakPolarHBondContact O-CB 3.41Å; L887-A891 PolarHBondContact O-N 3.11Å; Y888-A891 PolarHBondContact O-N 3.39Å; A891-R970 HydrophobicContact CB-CB 3.98Å; A891-I971 HydrophobicContact CB-CB 4.01Å; A891-I971 HydrophobicContact CB-CG2 3.88Å; A891-I971 WeakPolarHBondContact O-CG2 3.42Å |
| 892 | I | 91.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -78.7 | -33.4 | -177.8 | -158.1 | 71.4 | 0 | 0 | 0 | 111.5 | Q788 R790 Y888 S895 N896 I971 P973 P976 | Q788-I892 HydrophobicContact CB-CG2 3.81Å; Q788-I892 HydrophobicContact CG-CG2 3.53Å; R790-I892 HydrophobicContact CG-CG1 4.13Å; Y888-I892 HydrophobicContact CE1-CG2 4.33Å; Y888-I892 HydrophobicContact CE2-CB 4.37Å; Y888-I892 HydrophobicContact CE2-CG1 4.48Å; Y888-I892 WeakPolarHBondContact O-CB 3.31Å; Y888-I892 VanDerWaalsContact O-CG2 3.25Å; Y888-I892 WeakPolarHBondContact O-CG2 3.36Å; Y888-I892 PolarHBondContact O-N 3.38Å; I892-S895 WeakPolarHBondContact O-CB 3.4Å; I892-S895 PolarHBondContact O-N 3.13Å; I892-S895 PolarHBondContact O-OG 2.81Å; I892-N896 PolarHBondContact O-OD1 3.2Å; I892-I971 HydrophobicContact CB-CG2 4.28Å; I892-I971 HydrophobicContact CD1-CG2 3.75Å; I892-P973 HydrophobicContact CD1-CB 3.83Å; I892-P976 HydrophobicContact CD1-CG 4.48Å |
| 893 | S | 89 | Confident | 86.9 | Confident | 21 Ų | 21 | 39.9 Ų | 39.9 | 15% | 0.147 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.8 | -31.4 | 173.2 | 57.7 | 0 | 0 | 0 | 0 | 113 | E889 K890 S895 N896 A914 S915 | E889-S893 WeakPolarHBondContact O-CB 3.4Å; E889-S893 PolarHBondContact O-N 2.88Å; E889-S893 PolarHBondContact O-OG 2.93Å; K890-S893 PolarHBondContact O-OG 2.69Å; S893-S895 PolarHBondContact O-N 3.12Å; S893-S895 VanDerWaalsContact O-N 3.16Å; S893-N896 WeakPolarHBondContact O-CB 3.4Å; S893-N896 PolarHBondContact O-N 2.98Å; S893-A914 CarbonylContact O-C 3.54Å; S893-A914 VanDerWaalsContact O-C 3.24Å; S893-S915 PolarHBondContact O-N 3Å |
| 894 | E | 86.4 | Confident | 88.4 | Confident | 59 Ų | 59 | 39.6 Ų | 39.6 | 28% | 0.276 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -18.7 | 168.3 | -82.5 | 176.2 | 179.5 | 0 | 0 | 113.8 | K890 A914 R970 | K890-E894 WeakPolarHBondContact O-CB 3.27Å; K890-E894 VanDerWaalsContact O-CG 3.32Å; K890-E894 WeakPolarHBondContact O-CG 3.33Å; K890-E894 PolarHBondContact O-N 3.28Å; K890-E894 VanDerWaalsContact O-N 3.12Å; E894-A914 WeakPolarHBondContact O-CB 3.36Å; E894-R970 IonicContact OE1-CZ 2.85Å; E894-R970 IonicContact OE1-NE 3.29Å; E894-R970 PolarHBondContact OE1-NE 3.46Å; E894-R970 IonicContact OE1-NH2 2.85Å; E894-R970 PolarHBondContact OE1-NH2 3.32Å; E894-R970 WeakPolarHBondContact OE2-CD 3.36Å; E894-R970 WeakPolarHBondContact OE2-CG 3.37Å; E894-R970 IonicContact OE2-CZ 3.38Å; E894-R970 IonicContact OE2-NE 3.83Å; E894-R970 PolarHBondContact OE2-NE 3.13Å; E894-R970 IonicContact OE2-NH2 3.75Å |
| 895 | S | 87.9 | Confident | 89 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -11.3 | 179.1 | 78.8 | 0 | 0 | 0 | 0 | 115 | I892 S893 C897 P973 | I892-S895 WeakPolarHBondContact O-CB 3.4Å; I892-S895 PolarHBondContact O-N 3.13Å; I892-S895 PolarHBondContact O-OG 2.81Å; S893-S895 PolarHBondContact O-N 3.12Å; S893-S895 VanDerWaalsContact O-N 3.16Å; S895-C897 PolarHBondContact O-N 2.7Å; S895-P973 WeakPolarHBondContact OG-CB 3.18Å |
| 896 | N | 92.5 | Very high | 89.1 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | trans | -67.8 | 119.5 | -176.8 | -67 | -10.4 | 0 | 0 | 0 | 111.3 | R790 I892 S893 A914 S915 F932 | R790-N896 PolarHBondContact NH1-OD1 3.02Å; R790-N896 PolarHBondContact NH2-OD1 2.85Å; I892-N896 PolarHBondContact O-OD1 3.2Å; S893-N896 WeakPolarHBondContact O-CB 3.4Å; S893-N896 PolarHBondContact O-N 2.98Å; N896-A914 WeakPolarHBondContact O-CA 3.47Å; N896-A914 PolarHBondContact O-N 2.85Å; N896-S915 WeakPolarHBondContact CB-O 3.44Å; N896-S915 PolarHBondContact ND2-O 3.46Å; N896-F932 HydrophobicContact CB-CD1 4.39Å | ||
| 897 | C | 91 | Very high | 89.3 | Confident | 16 Ų | 16 | 41.6 Ų | 41.6 | 11% | 0.108 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 128.9 | 176.5 | -67.4 | 0 | 0 | 0 | 0 | 110 | S895 Y899 W913 D931 | S895-C897 PolarHBondContact O-N 2.7Å; C897-Y899 HydrophobicContact CB-CE2 4.28Å; C897-W913 HydrophobicContact CB-CE3 4.37Å; C897-W913 HydrophobicContact CB-CH2 3.73Å; C897-W913 HydrophobicContact CB-CZ2 4.07Å; C897-W913 HydrophobicContact CB-CZ3 3.89Å; C897-W913 VanDerWaalsContact SG-CZ2 3.59Å; C897-D931 HydrophobicContact CB-CB 4.07Å; C897-D931 PolarHBondContact N-O 2.83Å; C897-D931 PolarHBondContact O-N 3.44Å |
| 898 | I | 93.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 130.5 | -177.3 | -60.9 | 179.1 | 0 | 0 | 0 | 109.9 | P908 H909 A912 W913 P917 L921 L929 F930 | I898-P908 CarbonylContact O-C 3.5Å; I898-H909 HydrophobicContact CB-CB 4.39Å; I898-H909 HydrophobicContact CG2-CB 3.98Å; I898-H909 PolarHBondContact O-N 3.39Å; I898-A912 HydrophobicContact CD1-CB 3.96Å; I898-A912 WeakPolarHBondContact CD1-O 3.42Å; I898-W913 VanDerWaalsContact O-CE3 3.27Å; I898-W913 WeakPolarHBondContact O-CZ3 3.42Å; I898-P917 HydrophobicContact CD1-CB 3.79Å; I898-P917 HydrophobicContact CD1-CG 4.11Å; I898-L921 HydrophobicContact CD1-CD2 4.15Å; I898-L921 HydrophobicContact CG2-CD2 4.34Å; I898-L929 CarbonylContact C-O 3.59Å; I898-L929 WeakPolarHBondContact CA-O 3.5Å; I898-F930 HydrophobicContact CD1-CD1 3.46Å; I898-F930 VanDerWaalsContact CD1-CD1 3.46Å; I898-F930 HydrophobicContact CD1-CE1 3.61Å; I898-F930 HydrophobicContact CG1-CD1 3.73Å; I898-F930 HydrophobicContact CG1-CE1 4.26Å; I898-F930 HydrophobicContact CG1-CG 4.42Å; I898-F930 HydrophobicContact CG2-CD1 4.26Å; I898-F930 HydrophobicContact CG2-CE1 4.28Å |
| 899 | Y | 93.4 | Very high | 89.3 | Confident | 12 Ų | 12 | 38.4 Ų | 38.4 | 5% | 0.047 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 149.1 | 178.6 | -52.1 | -105.2 | 0 | 0 | 0 | 111.2 | C897 L906 S907 P908 W913 L928 L929 | C897-Y899 HydrophobicContact CB-CE2 4.28Å; Y899-L906 HydrophobicContact CD1-CB 4.17Å; Y899-L906 HydrophobicContact CG-CB 4.37Å; Y899-S907 CarbonylContact C-O 3.56Å; Y899-S907 WeakPolarHBondContact CA-O 3.1Å; Y899-P908 HydrophobicContact CD1-CG 4.49Å; Y899-W913 HydrophobicContact CD1-CZ3 4.26Å; Y899-W913 HydrophobicContact CD2-CZ3 4.33Å; Y899-W913 AromaticContact CE1-CH2 3.98Å; Y899-W913 HydrophobicContact CE1-CH2 3.98Å; Y899-W913 AromaticContact CE1-CZ3 3.98Å; Y899-W913 HydrophobicContact CE1-CZ3 3.98Å; Y899-W913 HydrophobicContact CE2-CH2 4.17Å; Y899-W913 HydrophobicContact CE2-CZ3 4.04Å; Y899-W913 HydrophobicContact CG-CZ3 4.43Å; Y899-W913 AromaticContact CZ-CH2 3.68Å; Y899-W913 AromaticContact CZ-CZ3 3.86Å; Y899-L928 CarbonylContact O-C 3.48Å; Y899-L928 VanDerWaalsContact O-CA 3.29Å; Y899-L928 WeakPolarHBondContact O-CA 3.3Å; Y899-L929 PolarHBondContact N-O 3.33Å; Y899-L929 PolarHBondContact O-N 2.89Å |
| 900 | R | 94 | Very high | 88.9 | Confident | 65 Ų | 65 | 43.8 Ų | 43.8 | 25% | 0.245 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 141.5 | 167.5 | 173.3 | -173.9 | -76.8 | 138.9 | 0.8 | 109.3 | Q902 S907 H909 Q926 L928 | R900-Q902 HydrophobicContact CG-CG 4.07Å; R900-Q902 PolarHBondContact O-N 2.76Å; R900-S907 PolarHBondContact N-O 3.1Å; R900-S907 PolarHBondContact O-N 3.3Å; R900-S907 PolarHBondContact O-OG 3.12Å; R900-H909 PolarHBondContact NH2-CD2 2.92Å; R900-H909 PolarHBondContact NH2-NE2 3.26Å; R900-Q926 VanDerWaalsContact CZ-OE1 3.32Å; R900-L928 HydrophobicContact CB-CD2 3.9Å; R900-L928 HydrophobicContact CG-CD2 4.24Å |
| 901 | L | 93 | Very high | 88.6 | Confident | 26 Ų | 26 | 45.6 Ų | 45.6 | 14% | 0.136 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 120.7 | 165.5 | -175.1 | 77.4 | 0 | 0 | 0 | 110 | L906 T927 E948 L951 A952 L955 | L901-L906 HydrophobicContact CD1-CD2 4.44Å; L901-T927 PolarHBondContact N-O 2.85Å; L901-E948 HydrophobicContact CD2-CB 3.93Å; L901-E948 HydrophobicContact CD2-CG 4.46Å; L901-L951 HydrophobicContact CD1-CD2 4.23Å; L901-L951 HydrophobicContact CD1-CG 4.27Å; L901-A952 HydrophobicContact CD1-CB 3.99Å; L901-A952 HydrophobicContact CD2-CB 4.14Å; L901-A952 HydrophobicContact CG-CB 4.47Å; L901-L955 HydrophobicContact CD1-CD1 3.75Å |
| 902 | Q | 86.8 | Confident | 88.4 | Confident | 110 Ų | 110 | 45.5 Ų | 45.5 | 51% | 0.514 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 112.5 | 171.9 | -66.7 | -164 | 57.2 | 0 | 0 | 109.7 | R900 D904 R905 S907 | R900-Q902 HydrophobicContact CG-CG 4.07Å; R900-Q902 PolarHBondContact O-N 2.76Å; Q902-D904 PolarHBondContact O-N 2.92Å; Q902-R905 PolarHBondContact N-O 2.82Å; Q902-R905 PolarHBondContact O-N 3.36Å; Q902-R905 VanDerWaalsContact O-N 3.12Å; Q902-S907 WeakPolarHBondContact CG-OG 3.43Å; Q902-S907 PolarHBondContact NE2-OG 2.92Å |
| 903 | G | 85.9 | Confident | 88.1 | Confident | 68 Ų | 68 | 45.8 Ų | 45.8 | 70% | 0.701 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | -118.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112.3 | L951 | G903-L951 VanDerWaalsContact O-CD2 3.3Å; G903-L951 WeakPolarHBondContact O-CD2 3.37Å |
| 904 | D | 86.9 | Confident | 87.9 | Confident | 94 Ų | 94 | 45.6 Ų | 45.6 | 50% | 0.503 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 2.9 | 178.8 | 69.9 | -35.4 | 0 | 0 | 0 | 114.1 | Q902 | Q902-D904 PolarHBondContact O-N 2.92Š|
| 905 | R | 89.6 | Confident | 87.9 | Confident | 115 Ų | 115 | 44.4 Ų | 44.4 | 43% | 0.434 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 162.8 | -164.5 | -72.9 | 158.2 | -152.2 | -98.7 | -19.3 | 114.3 | Q902 | Q902-R905 PolarHBondContact N-O 2.82Å; Q902-R905 PolarHBondContact O-N 3.36Å; Q902-R905 VanDerWaalsContact O-N 3.12Å |
| 906 | L | 90 | Very high | 88.1 | Confident | 25 Ų | 25 | 46 Ų | 46 | 13% | 0.131 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 125.4 | 164 | -68.1 | 173.3 | 0 | 0 | 0 | 109 | Y899 L901 L929 L955 V959 | Y899-L906 HydrophobicContact CD1-CB 4.17Å; Y899-L906 HydrophobicContact CG-CB 4.37Å; L901-L906 HydrophobicContact CD1-CD2 4.44Å; L906-L929 HydrophobicContact CD1-CD2 3.62Å; L906-L929 HydrophobicContact CD2-CB 4.45Å; L906-L955 HydrophobicContact CD1-CB 3.69Å; L906-L955 HydrophobicContact CG-CB 3.84Å; L906-L955 HydrophobicContact CG-CD1 4.11Å; L906-V959 HydrophobicContact CD1-CG2 3.93Å |
| 907 | S | 85.5 | Confident | 88 | Confident | 25 Ų | 25 | 46 Ų | 46 | 18% | 0.175 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 139 | 176.1 | 61.8 | 0 | 0 | 0 | 0 | 110.3 | Y899 R900 Q902 | Y899-S907 CarbonylContact C-O 3.56Å; Y899-S907 WeakPolarHBondContact CA-O 3.1Å; R900-S907 PolarHBondContact N-O 3.1Å; R900-S907 PolarHBondContact O-N 3.3Å; R900-S907 PolarHBondContact O-OG 3.12Å; Q902-S907 WeakPolarHBondContact CG-OG 3.43Å; Q902-S907 PolarHBondContact NE2-OG 2.92Å |
| 908 | P | 86.6 | Confident | 87.9 | Confident | 33 Ų | 33 | 48.7 Ų | 48.7 | 21% | 0.214 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.4 | 143 | 170.5 | -28.6 | 36.2 | 0 | 0 | 0 | 113.2 | L392 I898 Y899 W913 | L392-P908 HydrophobicContact CD1-CG 3.75Å; I898-P908 CarbonylContact O-C 3.5Å; Y899-P908 HydrophobicContact CD1-CG 4.49Å; P908-W913 HydrophobicContact CB-CD2 4.35Å; P908-W913 HydrophobicContact CB-CE3 3.71Å; P908-W913 HydrophobicContact CB-CH2 4.43Å; P908-W913 HydrophobicContact CB-CZ3 3.76Å; P908-W913 HydrophobicContact CG-CE3 4.49Å; P908-W913 HydrophobicContact CG-CH2 4.37Å; P908-W913 HydrophobicContact CG-CZ3 4.09Å |
| 909 | H | 87.5 | Confident | 87.6 | Confident | 13 Ų | 13 | 53.1 Ų | 53.1 | 6% | 0.06 | 28% | 0.278 | C | S | . | . | trans | -96.9 | 87.5 | 175.3 | -168.6 | -63.8 | 0 | 0 | 0 | 110.2 | I898 R900 Q911 A912 W913 L921 | I898-H909 HydrophobicContact CB-CB 4.39Å; I898-H909 HydrophobicContact CG2-CB 3.98Å; I898-H909 PolarHBondContact O-N 3.39Å; R900-H909 PolarHBondContact NH2-CD2 2.92Å; R900-H909 PolarHBondContact NH2-NE2 3.26Å; H909-Q911 VanDerWaalsContact C-N 3.29Å; H909-Q911 PolarHBondContact CE1-OE1 2.97Å; H909-Q911 PolarHBondContact ND1-OE1 3.39Å; H909-Q911 PolarHBondContact O-N 3.07Å; H909-A912 CarbonylContact O-C 3.6Å; H909-A912 PolarHBondContact O-N 3.17Å; H909-W913 PolarHBondContact O-N 3.49Å; H909-L921 VanDerWaalsContact CE1-CD1 3.46Å; H909-L921 WeakPolarHBondContact CE1-CD1 3.25Å; H909-L921 WeakPolarHBondContact NE2-CD1 3.14Å | ||
| 910 | E | 82.1 | Confident | 87.4 | Confident | 134 Ų | 134 | 57.2 Ų | 57.2 | 63% | 0.626 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -39 | -46.6 | -171.6 | -61.6 | 168 | 163.3 | 0 | 0 | 115.7 | A912 | E910-A912 VanDerWaalsContact C-N 3.29Å; E910-A912 PolarHBondContact O-N 2.84Å |
| 911 | Q | 78.2 | Confident | 87.2 | Confident | 131 Ų | 131 | 55.1 Ų | 55.1 | 61% | 0.612 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -77.2 | -12.9 | -175.6 | -57.3 | 73.9 | 25.7 | 0 | 0 | 113.9 | H909 | H909-Q911 VanDerWaalsContact C-N 3.29Å; H909-Q911 PolarHBondContact CE1-OE1 2.97Å; H909-Q911 PolarHBondContact ND1-OE1 3.39Å; H909-Q911 PolarHBondContact O-N 3.07Å |
| 912 | A | 84.1 | Confident | 87.1 | Confident | 7 Ų | 7 | 54.8 Ų | 54.8 | 6% | 0.058 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -123.7 | 12.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I898 H909 E910 S915 L921 | I898-A912 HydrophobicContact CD1-CB 3.96Å; I898-A912 WeakPolarHBondContact CD1-O 3.42Å; H909-A912 CarbonylContact O-C 3.6Å; H909-A912 PolarHBondContact O-N 3.17Å; E910-A912 VanDerWaalsContact C-N 3.29Å; E910-A912 PolarHBondContact O-N 2.84Å; A912-S915 WeakPolarHBondContact CA-OG 3.43Å; A912-L921 HydrophobicContact CB-CD1 4.33Å; A912-L921 HydrophobicContact CB-CD2 3.87Å |
| 913 | W | 85.3 | Confident | 87.2 | Confident | 7 Ų | 7 | 52.5 Ų | 52.5 | 3% | 0.027 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 129.5 | 178.2 | -167.1 | -86.1 | 0 | 0 | 0 | 110.6 | C897 I898 Y899 P908 H909 S915 | C897-W913 HydrophobicContact CB-CE3 4.37Å; C897-W913 HydrophobicContact CB-CH2 3.73Å; C897-W913 HydrophobicContact CB-CZ2 4.07Å; C897-W913 HydrophobicContact CB-CZ3 3.89Å; C897-W913 VanDerWaalsContact SG-CZ2 3.59Å; I898-W913 VanDerWaalsContact O-CE3 3.27Å; I898-W913 WeakPolarHBondContact O-CZ3 3.42Å; Y899-W913 HydrophobicContact CD1-CZ3 4.26Å; Y899-W913 HydrophobicContact CD2-CZ3 4.33Å; Y899-W913 AromaticContact CE1-CH2 3.98Å; Y899-W913 HydrophobicContact CE1-CH2 3.98Å; Y899-W913 AromaticContact CE1-CZ3 3.98Å; Y899-W913 HydrophobicContact CE1-CZ3 3.98Å; Y899-W913 HydrophobicContact CE2-CH2 4.17Å; Y899-W913 HydrophobicContact CE2-CZ3 4.04Å; Y899-W913 HydrophobicContact CG-CZ3 4.43Å; Y899-W913 AromaticContact CZ-CH2 3.68Å; Y899-W913 AromaticContact CZ-CZ3 3.86Å; P908-W913 HydrophobicContact CB-CD2 4.35Å; P908-W913 HydrophobicContact CB-CE3 3.71Å; P908-W913 HydrophobicContact CB-CH2 4.43Å; P908-W913 HydrophobicContact CB-CZ3 3.76Å; P908-W913 HydrophobicContact CG-CE3 4.49Å; P908-W913 HydrophobicContact CG-CH2 4.37Å; P908-W913 HydrophobicContact CG-CZ3 4.09Å; H909-W913 PolarHBondContact O-N 3.49Å; W913-S915 VanDerWaalsContact C-N 3.3Å; W913-S915 PolarHBondContact O-N 3.1Å |
| 914 | A | 85.2 | Confident | 87.5 | Confident | 17 Ų | 17 | 51 Ų | 51 | 14% | 0.14 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 46.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | P394 S893 E894 N896 | P394-A914 HydrophobicContact CB-CB 3.86Å; P394-A914 HydrophobicContact CG-CB 4.44Å; S893-A914 CarbonylContact O-C 3.54Å; S893-A914 VanDerWaalsContact O-C 3.24Å; E894-A914 WeakPolarHBondContact O-CB 3.36Å; N896-A914 WeakPolarHBondContact O-CA 3.47Å; N896-A914 PolarHBondContact O-N 2.85Å |
| 915 | S | 87.3 | Confident | 87.7 | Confident | 34 Ų | 34 | 50.8 Ų | 50.8 | 24% | 0.238 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -150.4 | 166.7 | 175.6 | 61.7 | 0 | 0 | 0 | 0 | 111 | S893 N896 A912 W913 | S893-S915 PolarHBondContact O-N 3Å; N896-S915 WeakPolarHBondContact CB-O 3.44Å; N896-S915 PolarHBondContact ND2-O 3.46Å; A912-S915 WeakPolarHBondContact CA-OG 3.43Å; W913-S915 VanDerWaalsContact C-N 3.3Å; W913-S915 PolarHBondContact O-N 3.1Å |
| 916 | V | 91 | Very high | 87.8 | Confident | 32 Ų | 32 | 47.3 Ų | 47.3 | 19% | 0.194 | 26% | 0.26 | C | S | . | . | trans | -75.5 | 124.7 | 169.9 | -174.3 | 0 | 0 | 0 | 0 | 108.6 | K1011 A1013 | V916-K1011 WeakPolarHBondContact CG1-O 3.49Å; V916-A1013 HydrophobicContact CG1-CB 4.3Å | ||
| 917 | P | 90.8 | Very high | 88.1 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.013 | 26% | 0.256 | C | S | . | . | trans | -68.6 | 153.9 | 179.3 | 28 | -35.1 | 0 | 0 | 0 | 112.5 | I898 L921 F930 F932 K1011 F1012 A1013 | I898-P917 HydrophobicContact CD1-CB 3.79Å; I898-P917 HydrophobicContact CD1-CG 4.11Å; P917-L921 HydrophobicContact CB-CD2 3.99Å; P917-F930 HydrophobicContact CB-CE1 4.16Å; P917-F930 HydrophobicContact CG-CE1 4.33Å; P917-F932 HydrophobicContact CG-CE1 4.29Å; P917-F932 HydrophobicContact CG-CZ 4.26Å; P917-K1011 VanDerWaalsContact CD-O 3.3Å; P917-K1011 WeakPolarHBondContact CD-O 3.47Å; P917-K1011 WeakPolarHBondContact CG-O 3.26Å; P917-F1012 HydrophobicContact CB-CD1 3.79Å; P917-F1012 HydrophobicContact CB-CE1 3.73Å; P917-F1012 HydrophobicContact CG-CD1 3.9Å; P917-F1012 HydrophobicContact CG-CE1 3.94Å; P917-F1012 HydrophobicContact CG-CG 4.36Å; P917-F1012 HydrophobicContact CG-CZ 4.41Å; P917-F1012 VanDerWaalsContact O-CA 3.28Å; P917-F1012 WeakPolarHBondContact O-CA 3.49Å; P917-A1013 PolarHBondContact O-N 3.3Å; P917-A1013 VanDerWaalsContact O-N 3.13Å | ||
| 918 | H | 89.3 | Confident | 88.6 | Confident | 73 Ų | 73 | 45.2 Ų | 45.2 | 34% | 0.338 | 25% | 0.247 | S | C | . | . | trans | -110.4 | 144.3 | 175.8 | -172.6 | -99.1 | 0 | 0 | 0 | 110.1 | S920 L921 N1014 | H918-S920 PolarHBondContact ND1-N 3.44Å; H918-S920 PolarHBondContact ND1-OG 2.94Å; H918-S920 PolarHBondContact O-N 3.47Å; H918-L921 WeakPolarHBondContact O-CB 3.34Å; H918-L921 PolarHBondContact O-N 2.74Å; H918-N1014 PolarHBondContact CD2-OD1 2.79Å; H918-N1014 PolarHBondContact NE2-OD1 2.93Å; H918-N1014 VanDerWaalsContact NE2-OD1 3.16Å | ||
| 919 | H | 88.4 | Confident | 89 | Confident | 92 Ų | 92 | 43.7 Ų | 43.7 | 43% | 0.426 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -61.5 | -22.8 | -171.2 | -164.6 | -56.8 | 0 | 0 | 0 | 113.2 | L921 L922 | H919-L921 PolarHBondContact O-N 3.02Å; H919-L921 VanDerWaalsContact O-N 3.11Å; H919-L922 WeakPolarHBondContact O-CB 3.35Å; H919-L922 PolarHBondContact O-N 2.85Å; H919-L922 VanDerWaalsContact O-N 3.15Å |
| 920 | S | 87.9 | Confident | 89.4 | Confident | 98 Ų | 98 | 43 Ų | 43 | 69% | 0.685 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -63.4 | -10.8 | 172.6 | 64.1 | 0 | 0 | 0 | 0 | 114.8 | H918 L922 | H918-S920 PolarHBondContact ND1-N 3.44Å; H918-S920 PolarHBondContact ND1-OG 2.94Å; H918-S920 PolarHBondContact O-N 3.47Å; S920-L922 VanDerWaalsContact C-N 3.3Å |
| 921 | L | 90.1 | Very high | 90 | Very high | 21 Ų | 21 | 37 Ų | 37 | 11% | 0.11 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -69.6 | -27.8 | 173.2 | -175.8 | 64.1 | 0 | 0 | 0 | 112.4 | I898 H909 A912 P917 H918 H919 N923 L928 F930 | I898-L921 HydrophobicContact CD1-CD2 4.15Å; I898-L921 HydrophobicContact CG2-CD2 4.34Å; H909-L921 VanDerWaalsContact CE1-CD1 3.46Å; H909-L921 WeakPolarHBondContact CE1-CD1 3.25Å; H909-L921 WeakPolarHBondContact NE2-CD1 3.14Å; A912-L921 HydrophobicContact CB-CD1 4.33Å; A912-L921 HydrophobicContact CB-CD2 3.87Å; P917-L921 HydrophobicContact CB-CD2 3.99Å; H918-L921 WeakPolarHBondContact O-CB 3.34Å; H918-L921 PolarHBondContact O-N 2.74Å; H919-L921 PolarHBondContact O-N 3.02Å; H919-L921 VanDerWaalsContact O-N 3.11Å; L921-N923 VanDerWaalsContact C-N 3.34Å; L921-N923 PolarHBondContact O-N 2.93Å; L921-L928 HydrophobicContact CD1-CD1 4.47Å; L921-L928 HydrophobicContact CD2-CD1 4.45Å; L921-L928 HydrophobicContact CG-CD1 3.88Å; L921-F930 HydrophobicContact CD2-CE1 3.81Å; L921-F930 HydrophobicContact CD2-CZ 3.98Å |
| 922 | L | 91.5 | Very high | 90.8 | Very high | 20 Ų | 20 | 30.8 Ų | 30.8 | 11% | 0.105 | 18% | 0.177 | C | C | . | . | trans | -76.8 | 78.6 | -174.6 | -59.9 | -176.1 | 0 | 0 | 0 | 111.3 | H919 S920 P924 L928 F930 W939 F1008 F1012 | H919-L922 WeakPolarHBondContact O-CB 3.35Å; H919-L922 PolarHBondContact O-N 2.85Å; H919-L922 VanDerWaalsContact O-N 3.15Å; S920-L922 VanDerWaalsContact C-N 3.3Å; L922-P924 WeakPolarHBondContact O-CD 3.31Å; L922-L928 HydrophobicContact CD2-CD1 4.35Å; L922-F930 HydrophobicContact CD2-CE2 4.03Å; L922-F930 HydrophobicContact CD2-CZ 3.68Å; L922-W939 HydrophobicContact CB-CH2 3.9Å; L922-W939 HydrophobicContact CB-CZ2 3.75Å; L922-W939 HydrophobicContact CB-CZ3 4.46Å; L922-W939 HydrophobicContact CD2-CD2 3.82Å; L922-W939 HydrophobicContact CD2-CE3 4.17Å; L922-W939 HydrophobicContact CD2-CG 4.12Å; L922-W939 HydrophobicContact CD2-CZ2 4.31Å; L922-W939 HydrophobicContact CG-CZ2 4.45Å; L922-F1008 HydrophobicContact CD1-CE1 4.19Å; L922-F1008 HydrophobicContact CD2-CE1 4.47Å; L922-F1008 HydrophobicContact CD2-CZ 4.3Å; L922-F1012 HydrophobicContact CD1-CE1 4.27Å; L922-F1012 HydrophobicContact CD1-CZ 4.07Å; L922-F1012 HydrophobicContact CD2-CE1 4.14Å; L922-F1012 HydrophobicContact CD2-CZ 3.93Å; L922-F1012 HydrophobicContact CG-CE1 4.12Å; L922-F1012 HydrophobicContact CG-CZ 4.21Å | ||
| 923 | N | 88.4 | Confident | 91.2 | Very high | 62 Ų | 62 | 30.5 Ų | 30.5 | 33% | 0.332 | 18% | 0.175 | S | C | . | . | trans | -84.9 | 121.5 | -179.6 | -174.7 | -34.3 | 0 | 0 | 0 | 111.7 | L921 T925 Q926 W939 | L921-N923 VanDerWaalsContact C-N 3.34Å; L921-N923 PolarHBondContact O-N 2.93Å; N923-T925 PolarHBondContact O-N 2.86Å; N923-T925 PolarHBondContact OD1-N 3.25Å; N923-T925 PolarHBondContact OD1-OG1 2.91Å; N923-Q926 HydrophobicContact CB-CB 4.3Å; N923-Q926 HydrophobicContact CB-CG 4.02Å; N923-Q926 PolarHBondContact O-N 2.88Å; N923-W939 WeakPolarHBondContact O-CH2 3.29Å; N923-W939 VanDerWaalsContact O-CZ3 3.29Å; N923-W939 WeakPolarHBondContact O-CZ3 3.43Å | ||
| 924 | P | 91.8 | Very high | 91.5 | Very high | 36 Ų | 36 | 30.1 Ų | 30.1 | 23% | 0.234 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -43.9 | -29 | 175.9 | -38.6 | 41.1 | 0 | 0 | 0 | 118.4 | L922 G941 K942 D943 | L922-P924 WeakPolarHBondContact O-CD 3.31Å; P924-G941 CarbonylContact O-C 3.52Å; P924-G941 WeakPolarHBondContact O-CA 2.9Å; P924-K942 HydrophobicContact CB-CG 4.11Å; P924-K942 PolarHBondContact O-N 3.42Å; P924-D943 WeakPolarHBondContact CB-OD2 3.41Å; P924-D943 WeakPolarHBondContact O-CB 3.45Å; P924-D943 PolarHBondContact O-N 2.77Å |
| 925 | T | 91.6 | Very high | 91.9 | Very high | 89 Ų | 89 | 29.3 Ų | 29.3 | 55% | 0.546 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -1.3 | -178.3 | 63.2 | 0 | 0 | 0 | 0 | 113.9 | N923 D943 | N923-T925 PolarHBondContact O-N 2.86Å; N923-T925 PolarHBondContact OD1-N 3.25Å; N923-T925 PolarHBondContact OD1-OG1 2.91Å; T925-D943 HydrophobicContact CG2-CB 4.22Å |
| 926 | Q | 92.1 | Very high | 92.3 | Very high | 43 Ų | 43 | 27.7 Ų | 27.7 | 20% | 0.201 | 16% | 0.155 | C | C | . | . | trans | -113.5 | 152.7 | -173.2 | -60.9 | -172.2 | 5.8 | 0 | 0 | 112.4 | R900 N923 W939 G941 V944 | R900-Q926 VanDerWaalsContact CZ-OE1 3.32Å; N923-Q926 HydrophobicContact CB-CB 4.3Å; N923-Q926 HydrophobicContact CB-CG 4.02Å; N923-Q926 PolarHBondContact O-N 2.88Å; Q926-W939 WeakPolarHBondContact O-CZ3 3.34Å; Q926-G941 PolarHBondContact O-N 2.84Å; Q926-V944 VanDerWaalsContact C-CG2 3.44Å; Q926-V944 VanDerWaalsContact O-CG2 3.24Å; Q926-V944 WeakPolarHBondContact O-CG2 3.44Å | ||
| 927 | T | 94.5 | Very high | 92.5 | Very high | 6 Ų | 6 | 26.2 Ų | 26.2 | 4% | 0.037 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 132.4 | 160.7 | -69.6 | 0 | 0 | 0 | 0 | 109 | L901 L938 W939 H940 V944 A952 | L901-T927 PolarHBondContact N-O 2.85Å; T927-L938 HydrophobicContact CG2-CD1 3.48Å; T927-L938 VanDerWaalsContact CG2-CD1 3.48Å; T927-W939 WeakPolarHBondContact CA-O 3.25Å; T927-H940 VanDerWaalsContact CG2-ND1 3.33Å; T927-H940 WeakPolarHBondContact CG2-ND1 3.3Å; T927-H940 PolarHBondContact OG1-ND1 3.06Å; T927-V944 WeakPolarHBondContact OG1-CG1 3.3Å; T927-A952 HydrophobicContact CG2-CB 3.47Å; T927-A952 VanDerWaalsContact CG2-CB 3.47Å |
| 928 | L | 96 | Very high | 92.8 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 148.2 | -179 | -59.5 | 177.5 | 0 | 0 | 0 | 109.6 | Y899 R900 L921 L922 F930 W939 | Y899-L928 CarbonylContact O-C 3.48Å; Y899-L928 VanDerWaalsContact O-CA 3.29Å; Y899-L928 WeakPolarHBondContact O-CA 3.3Å; R900-L928 HydrophobicContact CB-CD2 3.9Å; R900-L928 HydrophobicContact CG-CD2 4.24Å; L921-L928 HydrophobicContact CD1-CD1 4.47Å; L921-L928 HydrophobicContact CD2-CD1 4.45Å; L921-L928 HydrophobicContact CG-CD1 3.88Å; L922-L928 HydrophobicContact CD2-CD1 4.35Å; L928-F930 HydrophobicContact CB-CD2 4.25Å; L928-F930 HydrophobicContact CB-CE2 3.64Å; L928-F930 HydrophobicContact CB-CZ 4.28Å; L928-F930 HydrophobicContact CD1-CE2 4.04Å; L928-F930 HydrophobicContact CD1-CZ 3.91Å; L928-W939 HydrophobicContact CD1-CE3 4.38Å; L928-W939 HydrophobicContact CG-CE3 4.41Å; L928-W939 PolarHBondContact N-O 3.32Å; L928-W939 PolarHBondContact O-N 3.46Å |
| 929 | L | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 117.8 | 171.1 | -169.9 | 66.9 | 0 | 0 | 0 | 108.5 | I898 Y899 L906 L936 L938 A956 V959 | I898-L929 CarbonylContact C-O 3.59Å; I898-L929 WeakPolarHBondContact CA-O 3.5Å; Y899-L929 PolarHBondContact N-O 3.33Å; Y899-L929 PolarHBondContact O-N 2.89Å; L906-L929 HydrophobicContact CD1-CD2 3.62Å; L906-L929 HydrophobicContact CD2-CB 4.45Å; L929-L936 HydrophobicContact CD1-CD2 3.68Å; L929-L936 HydrophobicContact CD1-CG 4.4Å; L929-L936 HydrophobicContact CD2-CD2 4.29Å; L929-L936 HydrophobicContact CG-CD2 4.19Å; L929-L938 HydrophobicContact CD1-CB 3.85Å; L929-L938 HydrophobicContact CD1-CD1 4.16Å; L929-A956 HydrophobicContact CD1-CB 3.58Å; L929-A956 HydrophobicContact CD2-CB 3.97Å; L929-A956 HydrophobicContact CG-CB 4.42Å; L929-V959 HydrophobicContact CD2-CB 4.12Å; L929-V959 HydrophobicContact CD2-CG1 4.28Å; L929-V959 HydrophobicContact CD2-CG2 4.13Å |
| 930 | F | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 126 | 176.2 | -62 | -103.4 | 0 | 0 | 0 | 108.8 | I898 P917 L921 L922 L928 F932 L936 Y937 W939 F1008 F1012 | I898-F930 HydrophobicContact CD1-CD1 3.46Å; I898-F930 VanDerWaalsContact CD1-CD1 3.46Å; I898-F930 HydrophobicContact CD1-CE1 3.61Å; I898-F930 HydrophobicContact CG1-CD1 3.73Å; I898-F930 HydrophobicContact CG1-CE1 4.26Å; I898-F930 HydrophobicContact CG1-CG 4.42Å; I898-F930 HydrophobicContact CG2-CD1 4.26Å; I898-F930 HydrophobicContact CG2-CE1 4.28Å; P917-F930 HydrophobicContact CB-CE1 4.16Å; P917-F930 HydrophobicContact CG-CE1 4.33Å; L921-F930 HydrophobicContact CD2-CE1 3.81Å; L921-F930 HydrophobicContact CD2-CZ 3.98Å; L922-F930 HydrophobicContact CD2-CE2 4.03Å; L922-F930 HydrophobicContact CD2-CZ 3.68Å; L928-F930 HydrophobicContact CB-CD2 4.25Å; L928-F930 HydrophobicContact CB-CE2 3.64Å; L928-F930 HydrophobicContact CB-CZ 4.28Å; L928-F930 HydrophobicContact CD1-CE2 4.04Å; L928-F930 HydrophobicContact CD1-CZ 3.91Å; F930-F932 HydrophobicContact CB-CD2 4.23Å; F930-F932 HydrophobicContact CB-CE2 3.58Å; F930-F932 HydrophobicContact CB-CZ 3.82Å; F930-F932 HydrophobicContact CD1-CE1 4.47Å; F930-F932 HydrophobicContact CD1-CE2 4.22Å; F930-F932 AromaticContact CD1-CZ 3.68Å; F930-F932 HydrophobicContact CD1-CZ 3.68Å; F930-F932 HydrophobicContact CG-CE2 4.22Å; F930-F932 HydrophobicContact CG-CZ 4.13Å; F930-L936 CarbonylContact O-C 3.55Å; F930-L936 VanDerWaalsContact O-CA 3.26Å; F930-L936 WeakPolarHBondContact O-CA 3.35Å; F930-Y937 PolarHBondContact N-O 3.31Å; F930-Y937 PolarHBondContact O-N 3.13Å; F930-W939 HydrophobicContact CD2-CB 4.3Å; F930-W939 HydrophobicContact CE2-CB 3.94Å; F930-F1008 AromaticContact CD2-CE2 3.83Å; F930-F1008 HydrophobicContact CD2-CE2 3.83Å; F930-F1008 HydrophobicContact CD2-CZ 4.04Å; F930-F1008 HydrophobicContact CE2-CE2 4.12Å; F930-F1008 AromaticContact CE2-CZ 3.84Å; F930-F1008 HydrophobicContact CE2-CZ 3.84Å; F930-F1008 HydrophobicContact CG-CE2 4.15Å; F930-F1008 HydrophobicContact CZ-CZ 4.25Å; F930-F1012 HydrophobicContact CD1-CZ 4.43Å; F930-F1012 AromaticContact CE1-CE1 3.91Å; F930-F1012 HydrophobicContact CE1-CE1 3.91Å; F930-F1012 AromaticContact CE1-CZ 3.65Å; F930-F1012 HydrophobicContact CE1-CZ 3.65Å; F930-F1012 HydrophobicContact CZ-CE1 4.12Å; F930-F1012 AromaticContact CZ-CZ 3.76Å; F930-F1012 HydrophobicContact CZ-CZ 3.76Å |
| 931 | D | 94.5 | Very high | 93.6 | Very high | 8 Ų | 8 | 13.9 Ų | 13.9 | 4% | 0.043 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 113.5 | 172.1 | 175.4 | 1 | 0 | 0 | 0 | 108.3 | C897 G933 L936 Y966 R990 | C897-D931 HydrophobicContact CB-CB 4.07Å; C897-D931 PolarHBondContact N-O 2.83Å; C897-D931 PolarHBondContact O-N 3.44Å; D931-G933 PolarHBondContact OD1-N 3.44Å; D931-L936 HydrophobicContact CB-CD1 3.84Å; D931-L936 HydrophobicContact CB-CG 4.41Å; D931-Y966 PolarHBondContact OD1-OH 2.96Å; D931-Y966 PolarHBondContact OD2-OH 3.34Å; D931-R990 VanDerWaalsContact CG-NH2 3.31Å; D931-R990 IonicContact OD1-CZ 3.85Å; D931-R990 IonicContact OD1-NH1 2.77Å; D931-R990 PolarHBondContact OD1-NH1 3.1Å; D931-R990 IonicContact OD1-NH2 3.53Å; D931-R990 PolarHBondContact OD1-NH2 2.72Å; D931-R990 IonicContact OD2-CZ 3.88Å; D931-R990 IonicContact OD2-NH1 3.17Å; D931-R990 IonicContact OD2-NH2 2.98Å; D931-R990 PolarHBondContact OD2-NH2 2.66Å |
| 932 | F | 94.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.095 | C | C | . | . | trans | -110.4 | 12.7 | -179.7 | -62.8 | -60.2 | 0 | 0 | 0 | 112.5 | R790 N896 P917 F930 S934 E935 Y937 K1011 | R790-F932 PolarHBondContact NH1-O 2.85Å; R790-F932 VanDerWaalsContact NH1-O 3.14Å; N896-F932 HydrophobicContact CB-CD1 4.39Å; P917-F932 HydrophobicContact CG-CE1 4.29Å; P917-F932 HydrophobicContact CG-CZ 4.26Å; F930-F932 HydrophobicContact CB-CD2 4.23Å; F930-F932 HydrophobicContact CB-CE2 3.58Å; F930-F932 HydrophobicContact CB-CZ 3.82Å; F930-F932 HydrophobicContact CD1-CE1 4.47Å; F930-F932 HydrophobicContact CD1-CE2 4.22Å; F930-F932 AromaticContact CD1-CZ 3.68Å; F930-F932 HydrophobicContact CD1-CZ 3.68Å; F930-F932 HydrophobicContact CG-CE2 4.22Å; F930-F932 HydrophobicContact CG-CZ 4.13Å; F932-S934 PolarHBondContact O-N 3.47Å; F932-E935 WeakPolarHBondContact CB-OE2 3.14Å; F932-E935 PolarHBondContact N-O 3.31Å; F932-Y937 AromaticContact CD2-CD2 3.83Å; F932-Y937 HydrophobicContact CD2-CD2 3.83Å; F932-Y937 HydrophobicContact CD2-CE2 4.1Å; F932-Y937 AromaticContact CE2-CD2 3.92Å; F932-Y937 HydrophobicContact CE2-CD2 3.92Å; F932-Y937 HydrophobicContact CE2-CE2 4.37Å; F932-K1011 HydrophobicContact CD1-CD 4.43Å; F932-K1011 HydrophobicContact CD2-CD 4Å; F932-K1011 HydrophobicContact CD2-CG 3.99Å; F932-K1011 HydrophobicContact CE1-CB 4.03Å; F932-K1011 HydrophobicContact CE1-CD 4.49Å; F932-K1011 HydrophobicContact CE1-CG 4.39Å; F932-K1011 HydrophobicContact CE2-CB 3.84Å; F932-K1011 HydrophobicContact CE2-CD 4.07Å; F932-K1011 HydrophobicContact CE2-CG 3.56Å; F932-K1011 HydrophobicContact CG-CD 4.19Å; F932-K1011 HydrophobicContact CZ-CB 3.5Å; F932-K1011 HydrophobicContact CZ-CD 4.31Å; F932-K1011 HydrophobicContact CZ-CG 3.78Å | ||
| 933 | G | 91.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.117 | C | C | . | . | S | Bend | trans | 87.7 | -90.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D931 E935 L974 R990 | D931-G933 PolarHBondContact OD1-N 3.44Å; G933-E935 VanDerWaalsContact C-N 3.28Å; G933-E935 PolarHBondContact O-N 3.22Å; G933-L974 WeakPolarHBondContact O-CD2 3.28Å; G933-R990 PolarHBondContact O-NH1 3.02Å |
| 934 | S | 92.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -70.6 | -19.2 | -179 | 53 | 0 | 0 | 0 | 0 | 114.6 | M791 F932 P973 A994 L995 | M791-S934 WeakPolarHBondContact O-CB 3.48Å; M791-S934 PolarHBondContact O-OG 2.84Å; F932-S934 PolarHBondContact O-N 3.47Å; S934-P973 PolarHBondContact N-O 3.19Å; S934-A994 CarbonylContact O-C 3.53Å; S934-A994 WeakPolarHBondContact O-CA 3.09Å; S934-A994 WeakPolarHBondContact O-CB 2.88Å; S934-L995 PolarHBondContact O-N 3.18Å |
| 935 | E | 94.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 142.6 | 169.7 | -38.2 | 99.3 | 159 | 0 | 0 | 112 | M791 F932 G933 Y937 L995 L1007 K1011 | M791-E935 HydrophobicContact CB-CG 3.97Å; M791-E935 WeakPolarHBondContact CB-OE1 3.44Å; M791-E935 HydrophobicContact CE-CG 4.06Å; M791-E935 PolarHBondContact N-OE1 2.83Å; F932-E935 WeakPolarHBondContact CB-OE2 3.14Å; F932-E935 PolarHBondContact N-O 3.31Å; G933-E935 VanDerWaalsContact C-N 3.28Å; G933-E935 PolarHBondContact O-N 3.22Å; E935-Y937 HydrophobicContact CB-CD2 3.96Å; E935-Y937 HydrophobicContact CB-CE2 3.31Å; E935-Y937 HydrophobicContact CG-CE2 3.98Å; E935-L995 WeakPolarHBondContact CA-O 3.5Å; E935-L995 HydrophobicContact CB-CB 4.41Å; E935-L995 HydrophobicContact CG-CB 4.39Å; E935-L1007 HydrophobicContact CG-CD2 4.39Å; E935-K1011 IonicContact OE1-NZ 2.83Å; E935-K1011 PolarHBondContact OE1-NZ 2.67Å; E935-K1011 WeakPolarHBondContact OE2-CE 3.17Å; E935-K1011 IonicContact OE2-NZ 3.64Å; E935-K1011 PolarHBondContact OE2-NZ 3.44Å |
| 936 | L | 94.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 108.7 | 175.7 | -167.4 | 135.4 | 0 | 0 | 0 | 109.6 | L929 F930 D931 V959 W960 L995 F996 G997 | L929-L936 HydrophobicContact CD1-CD2 3.68Å; L929-L936 HydrophobicContact CD1-CG 4.4Å; L929-L936 HydrophobicContact CD2-CD2 4.29Å; L929-L936 HydrophobicContact CG-CD2 4.19Å; F930-L936 CarbonylContact O-C 3.55Å; F930-L936 VanDerWaalsContact O-CA 3.26Å; F930-L936 WeakPolarHBondContact O-CA 3.35Å; D931-L936 HydrophobicContact CB-CD1 3.84Å; D931-L936 HydrophobicContact CB-CG 4.41Å; L936-V959 HydrophobicContact CD1-CG1 3.93Å; L936-W960 HydrophobicContact CB-CE3 3.67Å; L936-W960 HydrophobicContact CB-CZ3 3.72Å; L936-W960 HydrophobicContact CD1-CE3 4.46Å; L936-W960 HydrophobicContact CD2-CE3 4.23Å; L936-W960 HydrophobicContact CG-CE3 4.34Å; L936-L995 PolarHBondContact N-O 2.81Å; L936-F996 HydrophobicContact CD2-CD2 3.61Å; L936-F996 HydrophobicContact CD2-CE2 3.55Å; L936-G997 PolarHBondContact O-N 3.43Å |
| 937 | Y | 95.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 115.8 | -171.1 | -64.1 | -80.2 | 0 | 0 | 0 | 112.3 | P772 F930 F932 E935 W939 L995 G997 V999 L1007 F1008 | P772-Y937 HydrophobicContact CB-CE1 4.38Å; P772-Y937 HydrophobicContact CG-CD1 4.48Å; P772-Y937 HydrophobicContact CG-CE1 4.33Å; F930-Y937 PolarHBondContact N-O 3.31Å; F930-Y937 PolarHBondContact O-N 3.13Å; F932-Y937 AromaticContact CD2-CD2 3.83Å; F932-Y937 HydrophobicContact CD2-CD2 3.83Å; F932-Y937 HydrophobicContact CD2-CE2 4.1Å; F932-Y937 AromaticContact CE2-CD2 3.92Å; F932-Y937 HydrophobicContact CE2-CD2 3.92Å; F932-Y937 HydrophobicContact CE2-CE2 4.37Å; E935-Y937 HydrophobicContact CB-CD2 3.96Å; E935-Y937 HydrophobicContact CB-CE2 3.31Å; E935-Y937 HydrophobicContact CG-CE2 3.98Å; Y937-W939 PolarHBondContact O-N 3.23Å; Y937-L995 HydrophobicContact CE1-CD2 4.12Å; Y937-G997 WeakPolarHBondContact CA-O 3.41Å; Y937-V999 HydrophobicContact CD1-CG2 3.6Å; Y937-V999 HydrophobicContact CE1-CG2 4.38Å; Y937-V999 HydrophobicContact CG-CG2 4.3Å; Y937-L1007 WeakPolarHBondContact OH-CG 3.49Å; Y937-F1008 HydrophobicContact CD1-CD2 4.03Å; Y937-F1008 AromaticContact CD2-CD2 3.66Å; Y937-F1008 HydrophobicContact CD2-CD2 3.66Å; Y937-F1008 HydrophobicContact CD2-CE2 4.28Å; Y937-F1008 HydrophobicContact CE1-CB 4.4Å; Y937-F1008 HydrophobicContact CE1-CD2 4.5Å; Y937-F1008 HydrophobicContact CE2-CD2 4.14Å; Y937-F1008 AromaticContact CG-CD2 3.57Å; Y937-F1008 HydrophobicContact CG-CD2 3.57Å; Y937-F1008 HydrophobicContact CG-CE2 4.07Å |
| 938 | L | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 104.9 | 165.9 | 177.4 | 64.8 | 0 | 0 | 0 | 109.1 | T927 L929 A952 L953 A956 G997 R998 V999 | T927-L938 HydrophobicContact CG2-CD1 3.48Å; T927-L938 VanDerWaalsContact CG2-CD1 3.48Å; L929-L938 HydrophobicContact CD1-CB 3.85Å; L929-L938 HydrophobicContact CD1-CD1 4.16Å; L938-A952 HydrophobicContact CD1-CB 4.02Å; L938-L953 HydrophobicContact CD2-CB 3.92Å; L938-L953 HydrophobicContact CD2-CD1 4.02Å; L938-A956 HydrophobicContact CB-CB 4.37Å; L938-A956 HydrophobicContact CD1-CB 4.19Å; L938-A956 HydrophobicContact CD2-CB 4.15Å; L938-A956 HydrophobicContact CG-CB 4.49Å; L938-G997 PolarHBondContact N-O 2.78Å; L938-R998 WeakPolarHBondContact O-CA 3.28Å; L938-V999 PolarHBondContact O-N 3.04Å |
| 939 | W | 96 | Very high | 93.2 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 0% | 0.004 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 126 | 177.4 | -177.2 | 92.8 | 0 | 0 | 0 | 111.1 | L922 N923 Q926 T927 L928 F930 Y937 G941 V999 D1001 E1004 F1008 | L922-W939 HydrophobicContact CB-CH2 3.9Å; L922-W939 HydrophobicContact CB-CZ2 3.75Å; L922-W939 HydrophobicContact CB-CZ3 4.46Å; L922-W939 HydrophobicContact CD2-CD2 3.82Å; L922-W939 HydrophobicContact CD2-CE3 4.17Å; L922-W939 HydrophobicContact CD2-CG 4.12Å; L922-W939 HydrophobicContact CD2-CZ2 4.31Å; L922-W939 HydrophobicContact CG-CZ2 4.45Å; N923-W939 WeakPolarHBondContact O-CH2 3.29Å; N923-W939 VanDerWaalsContact O-CZ3 3.29Å; N923-W939 WeakPolarHBondContact O-CZ3 3.43Å; Q926-W939 WeakPolarHBondContact O-CZ3 3.34Å; T927-W939 WeakPolarHBondContact CA-O 3.25Å; L928-W939 HydrophobicContact CD1-CE3 4.38Å; L928-W939 HydrophobicContact CG-CE3 4.41Å; L928-W939 PolarHBondContact N-O 3.32Å; L928-W939 PolarHBondContact O-N 3.46Å; F930-W939 HydrophobicContact CD2-CB 4.3Å; F930-W939 HydrophobicContact CE2-CB 3.94Å; Y937-W939 PolarHBondContact O-N 3.23Å; W939-G941 VanDerWaalsContact CZ3-N 3.31Å; W939-V999 WeakPolarHBondContact CA-O 3.17Å; W939-V999 HydrophobicContact CB-CB 4.48Å; W939-D1001 HydrophobicContact CH2-CB 4.46Å; W939-D1001 HydrophobicContact CZ2-CB 3.78Å; W939-E1004 PolarHBondContact NE1-OE1 3.05Å; W939-F1008 HydrophobicContact CB-CZ 4.13Å; W939-F1008 AromaticContact CD1-CE1 3.78Å; W939-F1008 AromaticContact CD1-CZ 3.81Å; W939-F1008 HydrophobicContact CG-CZ 4.17Å |
| 940 | H | 94.8 | Very high | 93 | Very high | 6 Ų | 6 | 36.9 Ų | 36.9 | 3% | 0.028 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 119.6 | 174.9 | -63 | -58.9 | 0 | 0 | 0 | 111.5 | T927 R949 V999 F1000 D1001 | T927-H940 VanDerWaalsContact CG2-ND1 3.33Å; T927-H940 WeakPolarHBondContact CG2-ND1 3.3Å; T927-H940 PolarHBondContact OG1-ND1 3.06Å; H940-R949 HydrophobicContact CB-CG 4.48Å; H940-V999 PolarHBondContact N-O 2.92Å; H940-F1000 HydrophobicContact CB-CD1 3.78Å; H940-F1000 HydrophobicContact CB-CE1 4.02Å; H940-F1000 AromaticContact CD2-CE1 3.52Å; H940-F1000 AromaticContact CD2-CZ 3.93Å; H940-F1000 WeakPolarHBondContact O-CA 3.26Å; H940-D1001 PolarHBondContact O-N 3.04Å |
| 941 | G | 92.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -59.3 | 147.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | P924 Q926 W939 D943 V944 | P924-G941 CarbonylContact O-C 3.52Å; P924-G941 WeakPolarHBondContact O-CA 2.9Å; Q926-G941 PolarHBondContact O-N 2.84Å; W939-G941 VanDerWaalsContact CZ3-N 3.31Å; G941-D943 PolarHBondContact O-N 3.1Å; G941-D943 VanDerWaalsContact O-N 3.16Å; G941-V944 WeakPolarHBondContact O-CB 3.46Å; G941-V944 WeakPolarHBondContact O-CG2 3.39Å; G941-V944 PolarHBondContact O-N 3.5Å | ||
| 942 | K | 91.4 | Very high | 92.9 | Very high | 106 Ų | 106 | 39.1 Ų | 39.1 | 46% | 0.461 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -30.7 | -174.9 | 66.1 | -164 | 165.2 | -153.4 | 0 | 114.3 | P924 R949 D1001 | P924-K942 HydrophobicContact CB-CG 4.11Å; P924-K942 PolarHBondContact O-N 3.42Å; K942-R949 PolarHBondContact O-NH2 2.82Å; K942-D1001 HydrophobicContact CB-CB 4.01Å; K942-D1001 WeakPolarHBondContact CB-OD2 3.17Å; K942-D1001 VanDerWaalsContact CD-OD2 3.23Å; K942-D1001 WeakPolarHBondContact CD-OD2 3.16Å; K942-D1001 WeakPolarHBondContact CG-OD2 3.13Å; K942-D1001 PolarHBondContact N-OD2 2.9Å; K942-D1001 IonicContact NZ-OD2 2.65Å |
| 943 | D | 90.9 | Very high | 92.9 | Very high | 106 Ų | 106 | 40.5 Ų | 40.5 | 57% | 0.567 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -6.4 | -173 | -58.9 | -49.5 | 0 | 0 | 0 | 113.5 | P924 T925 G941 | P924-D943 WeakPolarHBondContact CB-OD2 3.41Å; P924-D943 WeakPolarHBondContact O-CB 3.45Å; P924-D943 PolarHBondContact O-N 2.77Å; T925-D943 HydrophobicContact CG2-CB 4.22Å; G941-D943 PolarHBondContact O-N 3.1Å; G941-D943 VanDerWaalsContact O-N 3.16Å |
| 944 | V | 91.5 | Very high | 92.9 | Very high | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.03 | 24% | 0.238 | C | C | . | . | trans | -62.9 | 137.7 | -179.4 | 178.2 | 0 | 0 | 0 | 0 | 111.9 | Q926 T927 G941 E948 R949 | Q926-V944 VanDerWaalsContact C-CG2 3.44Å; Q926-V944 VanDerWaalsContact O-CG2 3.24Å; Q926-V944 WeakPolarHBondContact O-CG2 3.44Å; T927-V944 WeakPolarHBondContact OG1-CG1 3.3Å; G941-V944 WeakPolarHBondContact O-CB 3.46Å; G941-V944 WeakPolarHBondContact O-CG2 3.39Å; G941-V944 PolarHBondContact O-N 3.5Å; V944-E948 HydrophobicContact CG1-CB 3.74Å; V944-R949 HydrophobicContact CB-CG 4.24Å; V944-R949 HydrophobicContact CG1-CG 3.71Å; V944-R949 PolarHBondContact O-NE 2.78Å; V944-R949 PolarHBondContact O-NH2 2.79Å | ||
| 945 | G | 89.4 | Confident | 93 | Very high | 24 Ų | 24 | 46.7 Ų | 46.7 | 25% | 0.247 | 24% | 0.244 | C | C | . | . | trans | -70.9 | 149.3 | -180 | 0 | 0 | 0 | 0 | 0 | 114.3 | S947 E948 R949 | G945-S947 PolarHBondContact O-N 3Å; G945-E948 PolarHBondContact N-OE2 3.03Å; G945-E948 WeakPolarHBondContact O-CB 3.23Å; G945-E948 PolarHBondContact O-N 2.93Å; G945-R949 WeakPolarHBondContact O-CG 3.48Å; G945-R949 PolarHBondContact O-N 2.87Å | ||
| 946 | P | 91.4 | Very high | 93 | Very high | 107 Ų | 107 | 46.7 Ų | 46.7 | 70% | 0.695 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -61.9 | -28.6 | -177.3 | 24.8 | -34.5 | 0 | 0 | 0 | 113.8 | K950 | P946-K950 WeakPolarHBondContact O-CB 3.34Å; P946-K950 PolarHBondContact O-N 3.2Å; P946-K950 VanDerWaalsContact O-N 3.08Å |
| 947 | S | 90.1 | Very high | 92.9 | Very high | 99 Ų | 99 | 50.5 Ų | 50.5 | 69% | 0.692 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -65.5 | -42.8 | 173.6 | -54.3 | 0 | 0 | 0 | 0 | 112.2 | G945 K950 L951 | G945-S947 PolarHBondContact O-N 3Å; S947-K950 PolarHBondContact O-N 2.72Å; S947-L951 WeakPolarHBondContact O-CB 3.5Å; S947-L951 PolarHBondContact O-N 3.32Å |
| 948 | E | 90.7 | Very high | 92.7 | Very high | 96 Ų | 96 | 56.7 Ų | 56.7 | 45% | 0.449 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -69.7 | -42.1 | 178.2 | -64 | 166.3 | 151.8 | 0 | 0 | 110.6 | L901 V944 G945 K950 L951 A952 | L901-E948 HydrophobicContact CD2-CB 3.93Å; L901-E948 HydrophobicContact CD2-CG 4.46Å; V944-E948 HydrophobicContact CG1-CB 3.74Å; G945-E948 PolarHBondContact N-OE2 3.03Å; G945-E948 WeakPolarHBondContact O-CB 3.23Å; G945-E948 PolarHBondContact O-N 2.93Å; E948-K950 VanDerWaalsContact C-N 3.27Å; E948-K950 PolarHBondContact O-N 2.69Å; E948-L951 PolarHBondContact O-N 3.42Å; E948-A952 VanDerWaalsContact O-CB 3.3Å; E948-A952 WeakPolarHBondContact O-CB 3.33Å; E948-A952 PolarHBondContact O-N 2.99Å |
| 949 | R | 92.5 | Very high | 92.4 | Very high | 76 Ų | 76 | 58 Ų | 58 | 29% | 0.287 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -56.3 | -42.7 | 173 | -61.1 | -178.9 | -159.2 | -160.2 | -1.4 | 111.3 | H940 K942 V944 G945 L953 | H940-R949 HydrophobicContact CB-CG 4.48Å; K942-R949 PolarHBondContact O-NH2 2.82Å; V944-R949 HydrophobicContact CB-CG 4.24Å; V944-R949 HydrophobicContact CG1-CG 3.71Å; V944-R949 PolarHBondContact O-NE 2.78Å; V944-R949 PolarHBondContact O-NH2 2.79Å; G945-R949 WeakPolarHBondContact O-CG 3.48Å; G945-R949 PolarHBondContact O-N 2.87Å; R949-L953 VanDerWaalsContact O-CB 3.3Å; R949-L953 WeakPolarHBondContact O-CB 3.35Å; R949-L953 PolarHBondContact O-N 2.79Å |
| 950 | K | 92.9 | Very high | 92.2 | Very high | 141 Ų | 141 | 60 Ų | 60 | 61% | 0.613 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -67.7 | -44.6 | 177 | -176.4 | 179.2 | 174.4 | -177 | 0 | 112.6 | P946 S947 E948 L953 Q954 | P946-K950 WeakPolarHBondContact O-CB 3.34Å; P946-K950 PolarHBondContact O-N 3.2Å; P946-K950 VanDerWaalsContact O-N 3.08Å; S947-K950 PolarHBondContact O-N 2.72Å; E948-K950 VanDerWaalsContact C-N 3.27Å; E948-K950 PolarHBondContact O-N 2.69Å; K950-L953 WeakPolarHBondContact O-CB 3.43Å; K950-L953 PolarHBondContact O-N 3.38Å; K950-Q954 WeakPolarHBondContact O-CG 3.28Å; K950-Q954 PolarHBondContact O-N 2.74Å; K950-Q954 VanDerWaalsContact O-N 3.09Å |
| 951 | L | 93.4 | Very high | 91.9 | Very high | 54 Ų | 54 | 65.1 Ų | 65.1 | 28% | 0.283 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.9 | -51.8 | 177.1 | 170.7 | 63.5 | 0 | 0 | 0 | 111.4 | L901 G903 S947 E948 L953 Q954 L955 | L901-L951 HydrophobicContact CD1-CD2 4.23Å; L901-L951 HydrophobicContact CD1-CG 4.27Å; G903-L951 VanDerWaalsContact O-CD2 3.3Å; G903-L951 WeakPolarHBondContact O-CD2 3.37Å; S947-L951 WeakPolarHBondContact O-CB 3.5Å; S947-L951 PolarHBondContact O-N 3.32Å; E948-L951 PolarHBondContact O-N 3.42Å; L951-L953 PolarHBondContact O-N 3.37Å; L951-Q954 WeakPolarHBondContact O-CB 3.37Å; L951-Q954 PolarHBondContact O-N 3.36Å; L951-L955 HydrophobicContact CD1-CD1 4.05Å; L951-L955 HydrophobicContact CD1-CG 4.23Å; L951-L955 HydrophobicContact CG-CD1 4.07Å; L951-L955 WeakPolarHBondContact O-CG 3.36Å; L951-L955 PolarHBondContact O-N 3.24Å |
| 952 | A | 93.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.4 | -34.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L901 T927 L938 E948 L955 A956 | L901-A952 HydrophobicContact CD1-CB 3.99Å; L901-A952 HydrophobicContact CD2-CB 4.14Å; L901-A952 HydrophobicContact CG-CB 4.47Å; T927-A952 HydrophobicContact CG2-CB 3.47Å; T927-A952 VanDerWaalsContact CG2-CB 3.47Å; L938-A952 HydrophobicContact CD1-CB 4.02Å; E948-A952 VanDerWaalsContact O-CB 3.3Å; E948-A952 WeakPolarHBondContact O-CB 3.33Å; E948-A952 PolarHBondContact O-N 2.99Å; A952-L955 PolarHBondContact O-N 2.84Å; A952-A956 WeakPolarHBondContact O-CB 3.33Å; A952-A956 PolarHBondContact O-N 3.17Å |
| 953 | L | 94.3 | Very high | 91.3 | Very high | 29 Ų | 29 | 62.3 Ų | 62.3 | 15% | 0.152 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.4 | -45.9 | 170.8 | 173.6 | 61.2 | 0 | 0 | 0 | 112.4 | L938 R949 K950 L951 L955 A956 Q957 F996 R998 | L938-L953 HydrophobicContact CD2-CB 3.92Å; L938-L953 HydrophobicContact CD2-CD1 4.02Å; R949-L953 VanDerWaalsContact O-CB 3.3Å; R949-L953 WeakPolarHBondContact O-CB 3.35Å; R949-L953 PolarHBondContact O-N 2.79Å; K950-L953 WeakPolarHBondContact O-CB 3.43Å; K950-L953 PolarHBondContact O-N 3.38Å; L951-L953 PolarHBondContact O-N 3.37Å; L953-L955 VanDerWaalsContact C-N 3.31Å; L953-L955 PolarHBondContact O-N 3.12Å; L953-A956 PolarHBondContact O-N 3.1Å; L953-Q957 HydrophobicContact CD1-CG 4.03Å; L953-Q957 VanDerWaalsContact O-CG 3.31Å; L953-Q957 WeakPolarHBondContact O-CG 3.24Å; L953-Q957 PolarHBondContact O-N 2.72Å; L953-F996 HydrophobicContact CD1-CE1 4.1Å; L953-F996 HydrophobicContact CD1-CZ 4.12Å; L953-R998 VanDerWaalsContact CD1-CZ 3.44Å; L953-R998 VanDerWaalsContact CD1-NE 3.35Å; L953-R998 VanDerWaalsContact CD2-CZ 3.49Å |
| 954 | Q | 93.4 | Very high | 91 | Very high | 104 Ų | 104 | 58.3 Ų | 58.3 | 49% | 0.486 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.5 | -39.2 | 178.2 | -68.3 | 178.4 | -98.9 | 0 | 0 | 111.7 | K950 L951 Q958 | K950-Q954 WeakPolarHBondContact O-CG 3.28Å; K950-Q954 PolarHBondContact O-N 2.74Å; K950-Q954 VanDerWaalsContact O-N 3.09Å; L951-Q954 WeakPolarHBondContact O-CB 3.37Å; L951-Q954 PolarHBondContact O-N 3.36Å; Q954-Q958 WeakPolarHBondContact O-CG 3.47Å; Q954-Q958 PolarHBondContact O-N 2.85Å |
| 955 | L | 93.9 | Very high | 90.6 | Very high | 26 Ų | 26 | 59.8 Ų | 59.8 | 14% | 0.136 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70.2 | -41.5 | 175.5 | -61.7 | 170.5 | 0 | 0 | 0 | 112 | L901 L906 L951 A952 L953 Q957 Q958 V959 | L901-L955 HydrophobicContact CD1-CD1 3.75Å; L906-L955 HydrophobicContact CD1-CB 3.69Å; L906-L955 HydrophobicContact CG-CB 3.84Å; L906-L955 HydrophobicContact CG-CD1 4.11Å; L951-L955 HydrophobicContact CD1-CD1 4.05Å; L951-L955 HydrophobicContact CD1-CG 4.23Å; L951-L955 HydrophobicContact CG-CD1 4.07Å; L951-L955 WeakPolarHBondContact O-CG 3.36Å; L951-L955 PolarHBondContact O-N 3.24Å; A952-L955 PolarHBondContact O-N 2.84Å; L953-L955 VanDerWaalsContact C-N 3.31Å; L953-L955 PolarHBondContact O-N 3.12Å; L955-Q957 VanDerWaalsContact C-N 3.32Å; L955-Q957 PolarHBondContact O-N 2.98Å; L955-Q958 WeakPolarHBondContact O-CB 3.39Å; L955-Q958 PolarHBondContact O-N 2.85Å; L955-Q958 VanDerWaalsContact O-N 3.11Å; L955-V959 PolarHBondContact O-N 2.99Å; L955-V959 VanDerWaalsContact O-N 3.08Å |
| 956 | A | 93.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.6 | -36.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L929 L938 A952 L953 V959 W960 F996 | L929-A956 HydrophobicContact CD1-CB 3.58Å; L929-A956 HydrophobicContact CD2-CB 3.97Å; L929-A956 HydrophobicContact CG-CB 4.42Å; L938-A956 HydrophobicContact CB-CB 4.37Å; L938-A956 HydrophobicContact CD1-CB 4.19Å; L938-A956 HydrophobicContact CD2-CB 4.15Å; L938-A956 HydrophobicContact CG-CB 4.49Å; A952-A956 WeakPolarHBondContact O-CB 3.33Å; A952-A956 PolarHBondContact O-N 3.17Å; L953-A956 PolarHBondContact O-N 3.1Å; A956-V959 PolarHBondContact O-N 2.77Å; A956-W960 WeakPolarHBondContact O-CB 3.35Å; A956-W960 PolarHBondContact O-N 2.94Å; A956-F996 HydrophobicContact CB-CE2 4.01Å; A956-F996 HydrophobicContact CB-CZ 3.95Å |
| 957 | Q | 92.2 | Very high | 89.7 | Confident | 80 Ų | 80 | 56.6 Ų | 56.6 | 37% | 0.374 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.5 | -38.6 | 171.7 | -70.5 | -177.7 | -79.9 | 0 | 0 | 111.6 | L953 L955 V959 W960 D961 F996 | L953-Q957 HydrophobicContact CD1-CG 4.03Å; L953-Q957 VanDerWaalsContact O-CG 3.31Å; L953-Q957 WeakPolarHBondContact O-CG 3.24Å; L953-Q957 PolarHBondContact O-N 2.72Å; L955-Q957 VanDerWaalsContact C-N 3.32Å; L955-Q957 PolarHBondContact O-N 2.98Å; Q957-V959 VanDerWaalsContact C-N 3.29Å; Q957-V959 PolarHBondContact O-N 3.38Å; Q957-W960 PolarHBondContact O-N 3.23Å; Q957-W960 VanDerWaalsContact O-N 3.17Å; Q957-D961 WeakPolarHBondContact O-CB 3.4Å; Q957-D961 VanDerWaalsContact O-CG 3.28Å; Q957-D961 PolarHBondContact O-N 2.88Å; Q957-F996 HydrophobicContact CG-CZ 4.21Å |
| 958 | Q | 91.1 | Very high | 88.8 | Confident | 131 Ų | 131 | 55.4 Ų | 55.4 | 61% | 0.612 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -65 | -28.1 | 173.7 | -71.2 | 173.6 | -22.8 | 0 | 0 | 113.9 | Q954 L955 G962 | Q954-Q958 WeakPolarHBondContact O-CG 3.47Å; Q954-Q958 PolarHBondContact O-N 2.85Å; L955-Q958 WeakPolarHBondContact O-CB 3.39Å; L955-Q958 PolarHBondContact O-N 2.85Å; L955-Q958 VanDerWaalsContact O-N 3.11Å; Q958-G962 WeakPolarHBondContact O-CA 3.28Å; Q958-G962 PolarHBondContact O-N 3.29Å |
| 959 | V | 90.4 | Very high | 88.2 | Confident | 26 Ų | 26 | 51.2 Ų | 51.2 | 16% | 0.158 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -78.4 | -33.3 | 172.3 | 179.1 | 0 | 0 | 0 | 0 | 111.5 | L906 L929 L936 L955 A956 Q957 | L906-V959 HydrophobicContact CD1-CG2 3.93Å; L929-V959 HydrophobicContact CD2-CB 4.12Å; L929-V959 HydrophobicContact CD2-CG1 4.28Å; L929-V959 HydrophobicContact CD2-CG2 4.13Å; L936-V959 HydrophobicContact CD1-CG1 3.93Å; L955-V959 PolarHBondContact O-N 2.99Å; L955-V959 VanDerWaalsContact O-N 3.08Å; A956-V959 PolarHBondContact O-N 2.77Å; Q957-V959 VanDerWaalsContact C-N 3.29Å; Q957-V959 PolarHBondContact O-N 3.38Å |
| 960 | W | 92.1 | Very high | 87.7 | Confident | 44 Ų | 44 | 55.7 Ų | 55.7 | 17% | 0.167 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.6 | -50 | 176.2 | -178.6 | -95.5 | 0 | 0 | 0 | 113 | L936 A956 Q957 G962 R990 A994 F996 | L936-W960 HydrophobicContact CB-CE3 3.67Å; L936-W960 HydrophobicContact CB-CZ3 3.72Å; L936-W960 HydrophobicContact CD1-CE3 4.46Å; L936-W960 HydrophobicContact CD2-CE3 4.23Å; L936-W960 HydrophobicContact CG-CE3 4.34Å; A956-W960 WeakPolarHBondContact O-CB 3.35Å; A956-W960 PolarHBondContact O-N 2.94Å; Q957-W960 PolarHBondContact O-N 3.23Å; Q957-W960 VanDerWaalsContact O-N 3.17Å; W960-G962 PolarHBondContact O-N 3.45Å; W960-R990 HydrophobicContact CH2-CB 4.08Å; W960-R990 HydrophobicContact CZ2-CB 4.19Å; W960-R990 HydrophobicContact CZ3-CB 4.44Å; W960-R990 VanDerWaalsContact CZ3-CD 3.45Å; W960-A994 HydrophobicContact CH2-CB 3.72Å; W960-A994 WeakPolarHBondContact CH2-O 3.42Å; W960-A994 HydrophobicContact CZ2-CB 4.43Å; W960-F996 HydrophobicContact CB-CD2 3.8Å; W960-F996 HydrophobicContact CB-CE2 4.08Å; W960-F996 HydrophobicContact CD2-CB 3.71Å; W960-F996 AromaticContact CD2-CD2 3.79Å; W960-F996 HydrophobicContact CD2-CD2 3.79Å; W960-F996 HydrophobicContact CD2-CG 4.14Å; W960-F996 HydrophobicContact CE3-CB 3.79Å; W960-F996 AromaticContact CE3-CD2 3.74Å; W960-F996 HydrophobicContact CE3-CD2 3.74Å; W960-F996 HydrophobicContact CE3-CG 4.26Å; W960-F996 HydrophobicContact CG-CB 4.29Å; W960-F996 AromaticContact CG-CD2 3.8Å; W960-F996 HydrophobicContact CG-CD2 3.8Å; W960-F996 HydrophobicContact CG-CG 4.29Å; W960-F996 HydrophobicContact CH2-CB 4.17Å; W960-F996 HydrophobicContact CZ2-CB 4.12Å; W960-F996 HydrophobicContact CZ3-CB 4Å |
| 961 | D | 89.6 | Confident | 87.4 | Confident | 113 Ų | 113 | 50 Ų | 50 | 60% | 0.604 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -75.1 | -4.7 | 177.5 | -57.7 | -29 | 0 | 0 | 0 | 112.1 | Q957 | Q957-D961 WeakPolarHBondContact O-CB 3.4Å; Q957-D961 VanDerWaalsContact O-CG 3.28Å; Q957-D961 PolarHBondContact O-N 2.88Å |
| 962 | G | 86.2 | Confident | 87.2 | Confident | 8 Ų | 8 | 48 Ų | 48 | 8% | 0.082 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -85.3 | -173.8 | -173 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q958 W960 G989 | Q958-G962 WeakPolarHBondContact O-CA 3.28Å; Q958-G962 PolarHBondContact O-N 3.29Å; W960-G962 PolarHBondContact O-N 3.45Å; G962-G989 PolarHBondContact O-N 3.18Å |
| 963 | A | 84.7 | Confident | 87.1 | Confident | 40 Ų | 40 | 48 Ų | 48 | 33% | 0.331 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 131.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | N391 G987 I988 | N391-A963 PolarHBondContact ND2-O 2.84Å; A963-G987 CarbonylContact C-O 3.16Å; A963-G987 WeakPolarHBondContact CA-O 3.48Å; A963-I988 HydrophobicContact CB-CG1 4.23Å |
| 964 | Y | 84.3 | Confident | 86.9 | Confident | 21 Ų | 21 | 46.7 Ų | 46.7 | 8% | 0.082 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 148.4 | 175.9 | 68.7 | -97 | 0 | 0 | 0 | 111.1 | Y966 L974 H984 Q986 G987 G989 R990 | Y964-Y966 AromaticContact CD2-CD2 3.57Å; Y964-Y966 HydrophobicContact CD2-CD2 3.57Å; Y964-Y966 AromaticContact CD2-CE2 3.53Å; Y964-Y966 HydrophobicContact CD2-CE2 3.53Å; Y964-Y966 HydrophobicContact CE2-CD2 4.14Å; Y964-Y966 HydrophobicContact CE2-CE2 4.31Å; Y964-Y966 HydrophobicContact CG-CD2 4.47Å; Y964-Y966 HydrophobicContact CG-CE2 4.01Å; Y964-L974 HydrophobicContact CD1-CD1 4.26Å; Y964-L974 HydrophobicContact CD2-CD1 3.92Å; Y964-L974 HydrophobicContact CE1-CD1 3.84Å; Y964-L974 HydrophobicContact CE2-CD1 3.49Å; Y964-L974 VanDerWaalsContact CE2-CD1 3.49Å; Y964-L974 HydrophobicContact CG-CD1 4.29Å; Y964-L974 VanDerWaalsContact CZ-CD1 3.44Å; Y964-H984 WeakPolarHBondContact CE2-O 3.44Å; Y964-H984 PolarHBondContact OH-O 2.73Å; Y964-Q986 WeakPolarHBondContact O-CA 3.39Å; Y964-G987 PolarHBondContact N-O 3.21Å; Y964-G987 PolarHBondContact O-N 2.83Å; Y964-G989 VanDerWaalsContact CE1-O 3.27Å; Y964-G989 WeakPolarHBondContact CE1-O 3.24Å; Y964-R990 HydrophobicContact CD1-CG 4.35Å |
| 965 | D | 83.3 | Confident | 86.7 | Confident | 37 Ų | 37 | 42.5 Ų | 42.5 | 20% | 0.198 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 103.4 | 175.4 | -178.6 | 9.6 | 0 | 0 | 0 | 112.3 | N391 S967 Q986 | N391-D965 HydrophobicContact CB-CB 3.84Å; N391-D965 VanDerWaalsContact CG-CB 3.43Å; N391-D965 PolarHBondContact OD1-N 3.19Å; N391-D965 VanDerWaalsContact OD1-N 3.14Å; D965-S967 WeakPolarHBondContact OD1-CB 3.38Å; D965-S967 PolarHBondContact OD1-N 3.31Å; D965-S967 PolarHBondContact OD1-OG 2.98Å; D965-S967 PolarHBondContact OD2-OG 3.39Å; D965-Q986 HydrophobicContact CB-CG 3.99Å; D965-Q986 WeakPolarHBondContact OD1-CG 3.45Å; D965-Q986 PolarHBondContact OD1-NE2 3.28Å; D965-Q986 PolarHBondContact OD2-NE2 2.89Å; D965-Q986 VanDerWaalsContact OD2-NE2 3.11Å |
| 966 | Y | 84 | Confident | 86.2 | Confident | 7 Ų | 7 | 42.2 Ų | 42.2 | 3% | 0.027 | 22% | 0.215 | C | C | . | . | trans | -102 | 16.5 | 172.9 | -55.2 | -63.1 | 0 | 0 | 0 | 112.6 | D931 Y964 N968 C969 P973 L974 K985 R990 | D931-Y966 PolarHBondContact OD1-OH 2.96Å; D931-Y966 PolarHBondContact OD2-OH 3.34Å; Y964-Y966 AromaticContact CD2-CD2 3.57Å; Y964-Y966 HydrophobicContact CD2-CD2 3.57Å; Y964-Y966 AromaticContact CD2-CE2 3.53Å; Y964-Y966 HydrophobicContact CD2-CE2 3.53Å; Y964-Y966 HydrophobicContact CE2-CD2 4.14Å; Y964-Y966 HydrophobicContact CE2-CE2 4.31Å; Y964-Y966 HydrophobicContact CG-CD2 4.47Å; Y964-Y966 HydrophobicContact CG-CE2 4.01Å; Y966-N968 PolarHBondContact O-N 3.25Å; Y966-C969 WeakPolarHBondContact O-CB 3.48Å; Y966-C969 PolarHBondContact O-N 3.12Å; Y966-P973 HydrophobicContact CD1-CG 3.63Å; Y966-P973 HydrophobicContact CD2-CG 3.8Å; Y966-P973 HydrophobicContact CE1-CG 3.7Å; Y966-P973 HydrophobicContact CE2-CG 3.88Å; Y966-P973 VanDerWaalsContact CG-CD 3.48Å; Y966-P973 HydrophobicContact CG-CG 3.7Å; Y966-L974 HydrophobicContact CD2-CD1 4.43Å; Y966-L974 HydrophobicContact CE2-CD1 4.01Å; Y966-L974 HydrophobicContact CE2-CG 4.16Å; Y966-K985 PolarHBondContact N-O 3.24Å; Y966-R990 PolarHBondContact OH-NH1 2.96Å | ||
| 967 | S | 76.6 | Confident | 85.4 | Confident | 56 Ų | 56 | 43.8 Ų | 43.8 | 39% | 0.392 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -31.1 | 177.7 | 64 | 0 | 0 | 0 | 0 | 113.2 | D965 C969 Q986 | D965-S967 WeakPolarHBondContact OD1-CB 3.38Å; D965-S967 PolarHBondContact OD1-N 3.31Å; D965-S967 PolarHBondContact OD1-OG 2.98Å; D965-S967 PolarHBondContact OD2-OG 3.39Å; S967-C969 VanDerWaalsContact C-N 3.32Å; S967-Q986 PolarHBondContact OG-NE2 2.81Å |
| 968 | N | 71.8 | Confident | 84.6 | Confident | 75 Ų | 75 | 43 Ų | 43 | 40% | 0.401 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -9.7 | 177.7 | -57.7 | -80.9 | 0 | 0 | 0 | 113.2 | Y966 | Y966-N968 PolarHBondContact O-N 3.25Š|
| 969 | C | 78.3 | Confident | 83.4 | Confident | 8 Ų | 8 | 38.8 Ų | 38.8 | 5% | 0.054 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -91.1 | 143.5 | 175.6 | -57.2 | 0 | 0 | 0 | 0 | 109.6 | Y966 S967 I971 K985 | Y966-C969 WeakPolarHBondContact O-CB 3.48Å; Y966-C969 PolarHBondContact O-N 3.12Å; S967-C969 VanDerWaalsContact C-N 3.32Å; C969-I971 VanDerWaalsContact CB-O 3.31Å; C969-I971 WeakPolarHBondContact CB-O 3.47Å; C969-K985 PolarHBondContact O-NZ 3.33Å |
| 970 | R | 82.8 | Confident | 82.6 | Confident | 170 Ų | 170 | 38.2 Ų | 38.2 | 64% | 0.642 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -61 | -49.1 | 178.4 | -53.6 | -179.6 | -156.9 | -142.5 | 4.7 | 110.7 | A891 E894 K985 | A891-R970 HydrophobicContact CB-CB 3.98Å; E894-R970 IonicContact OE1-CZ 2.85Å; E894-R970 IonicContact OE1-NE 3.29Å; E894-R970 PolarHBondContact OE1-NE 3.46Å; E894-R970 IonicContact OE1-NH2 2.85Å; E894-R970 PolarHBondContact OE1-NH2 3.32Å; E894-R970 WeakPolarHBondContact OE2-CD 3.36Å; E894-R970 WeakPolarHBondContact OE2-CG 3.37Å; E894-R970 IonicContact OE2-CZ 3.38Å; E894-R970 IonicContact OE2-NE 3.83Å; E894-R970 PolarHBondContact OE2-NE 3.13Å; E894-R970 IonicContact OE2-NH2 3.75Å; R970-K985 PolarHBondContact O-NZ 3.3Å |
| 971 | I | 86.1 | Confident | 81.7 | Confident | 22 Ų | 22 | 40.3 Ų | 40.3 | 11% | 0.113 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -97 | 159.2 | 176.9 | -160.1 | 160.7 | 0 | 0 | 0 | 111.1 | Y888 A891 I892 C969 P976 | Y888-I971 HydrophobicContact CD2-CD1 3.47Å; Y888-I971 VanDerWaalsContact CD2-CD1 3.47Å; Y888-I971 HydrophobicContact CE2-CD1 3.73Å; A891-I971 HydrophobicContact CB-CB 4.01Å; A891-I971 HydrophobicContact CB-CG2 3.88Å; A891-I971 WeakPolarHBondContact O-CG2 3.42Å; I892-I971 HydrophobicContact CB-CG2 4.28Å; I892-I971 HydrophobicContact CD1-CG2 3.75Å; C969-I971 VanDerWaalsContact CB-O 3.31Å; C969-I971 WeakPolarHBondContact CB-O 3.47Å; I971-P976 HydrophobicContact CD1-CB 3.68Å; I971-P976 WeakPolarHBondContact CD1-O 3.31Å; I971-P976 HydrophobicContact CG1-CB 4.02Å |
| 972 | N | 89.3 | Confident | 81.3 | Confident | 10 Ų | 10 | 43.4 Ų | 43.4 | 5% | 0.053 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -95.6 | 115.9 | 167.7 | -172.9 | 3.7 | 0 | 0 | 0 | 108.7 | L974 D975 P976 I983 H984 K985 | N972-L974 PolarHBondContact O-N 3.44Å; N972-L974 VanDerWaalsContact O-N 3.14Å; N972-L974 PolarHBondContact OD1-N 3.1Å; N972-D975 CarbonylContact O-C 3.59Å; N972-D975 PolarHBondContact O-N 3.26Å; N972-D975 VanDerWaalsContact O-N 3.1Å; N972-D975 VanDerWaalsContact O-O 3.12Å; N972-P976 VanDerWaalsContact O-CA 3.31Å; N972-P976 WeakPolarHBondContact O-CA 3.21Å; N972-P976 VanDerWaalsContact O-N 3.09Å; N972-I983 PolarHBondContact ND2-O 3.42Å; N972-I983 VanDerWaalsContact ND2-O 3.11Å; N972-H984 PolarHBondContact ND2-O 3.48Å; N972-K985 HydrophobicContact CB-CG 3.86Å |
| 973 | P | 91.3 | Very high | 81.2 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -2.6 | -179.2 | 33.9 | -39.1 | 0 | 0 | 0 | 113.9 | I892 S895 S934 Y966 | I892-P973 HydrophobicContact CD1-CB 3.83Å; S895-P973 WeakPolarHBondContact OG-CB 3.18Å; S934-P973 PolarHBondContact N-O 3.19Å; Y966-P973 HydrophobicContact CD1-CG 3.63Å; Y966-P973 HydrophobicContact CD2-CG 3.8Å; Y966-P973 HydrophobicContact CE1-CG 3.7Å; Y966-P973 HydrophobicContact CE2-CG 3.88Å; Y966-P973 VanDerWaalsContact CG-CD 3.48Å; Y966-P973 HydrophobicContact CG-CG 3.7Å |
| 974 | L | 91 | Very high | 81.2 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -21.6 | 168.4 | -67.5 | 172.4 | 0 | 0 | 0 | 113.6 | G933 Y964 Y966 N972 I983 P991 W993 | G933-L974 WeakPolarHBondContact O-CD2 3.28Å; Y964-L974 HydrophobicContact CD1-CD1 4.26Å; Y964-L974 HydrophobicContact CD2-CD1 3.92Å; Y964-L974 HydrophobicContact CE1-CD1 3.84Å; Y964-L974 HydrophobicContact CE2-CD1 3.49Å; Y964-L974 VanDerWaalsContact CE2-CD1 3.49Å; Y964-L974 HydrophobicContact CG-CD1 4.29Å; Y964-L974 VanDerWaalsContact CZ-CD1 3.44Å; Y966-L974 HydrophobicContact CD2-CD1 4.43Å; Y966-L974 HydrophobicContact CE2-CD1 4.01Å; Y966-L974 HydrophobicContact CE2-CG 4.16Å; N972-L974 PolarHBondContact O-N 3.44Å; N972-L974 VanDerWaalsContact O-N 3.14Å; N972-L974 PolarHBondContact OD1-N 3.1Å; L974-I983 HydrophobicContact CB-CG2 3.48Å; L974-I983 VanDerWaalsContact CB-CG2 3.48Å; L974-P991 HydrophobicContact CD2-CG 4.49Å; L974-W993 WeakPolarHBondContact O-CH2 3.22Å; L974-W993 WeakPolarHBondContact O-CZ2 3.41Å |
| 975 | D | 88.1 | Confident | 81.2 | Confident | 16 Ų | 16 | 50.3 Ų | 50.3 | 9% | 0.086 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -146.9 | 84.3 | 171.7 | 172.1 | 15.9 | 0 | 0 | 0 | 108.3 | N972 S977 G978 G979 S980 I983 | N972-D975 CarbonylContact O-C 3.59Å; N972-D975 PolarHBondContact O-N 3.26Å; N972-D975 VanDerWaalsContact O-N 3.1Å; N972-D975 VanDerWaalsContact O-O 3.12Å; D975-S977 PolarHBondContact O-N 3.47Å; D975-S977 PolarHBondContact OD1-N 2.93Å; D975-S977 PolarHBondContact OD1-OG 3.21Å; D975-G978 PolarHBondContact O-N 3.44Å; D975-G978 PolarHBondContact OD1-N 3.11Å; D975-G978 VanDerWaalsContact OD2-CA 3.24Å; D975-G978 WeakPolarHBondContact OD2-CA 3.49Å; D975-G979 PolarHBondContact OD1-N 3.26Å; D975-G979 VanDerWaalsContact OD1-N 3.14Å; D975-G979 PolarHBondContact OD2-N 3.24Å; D975-S980 PolarHBondContact OD2-N 2.57Å; D975-I983 HydrophobicContact CB-CB 4.01Å; D975-I983 HydrophobicContact CB-CD1 4.46Å; D975-I983 HydrophobicContact CB-CG2 3.9Å |
| 976 | P | 84.2 | Confident | 81.4 | Confident | 21 Ų | 21 | 53.6 Ų | 53.6 | 14% | 0.136 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -25.9 | -174.7 | -17.6 | 31.4 | 0 | 0 | 0 | 112.6 | V792 Y888 I892 I971 N972 | V792-P976 HydrophobicContact CG1-CG 4.47Å; Y888-P976 HydrophobicContact CE2-CB 3.87Å; I892-P976 HydrophobicContact CD1-CG 4.48Å; I971-P976 HydrophobicContact CD1-CB 3.68Å; I971-P976 WeakPolarHBondContact CD1-O 3.31Å; I971-P976 HydrophobicContact CG1-CB 4.02Å; N972-P976 VanDerWaalsContact O-CA 3.31Å; N972-P976 WeakPolarHBondContact O-CA 3.21Å; N972-P976 VanDerWaalsContact O-N 3.09Å |
| 977 | S | 76.7 | Confident | 81.4 | Confident | 33 Ų | 33 | 54.4 Ų | 54.4 | 23% | 0.231 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -16.8 | 179.9 | 74.7 | 0 | 0 | 0 | 0 | 114.2 | K877 D975 G979 | K877-S977 PolarHBondContact NZ-O 3.38Å; D975-S977 PolarHBondContact O-N 3.47Å; D975-S977 PolarHBondContact OD1-N 2.93Å; D975-S977 PolarHBondContact OD1-OG 3.21Å; S977-G979 VanDerWaalsContact C-N 3.27Å; S977-G979 PolarHBondContact O-N 3.21Å; S977-G979 PolarHBondContact OG-N 3.47Å |
| 978 | G | 73.6 | Confident | 81.8 | Confident | 64 Ų | 64 | 59 Ų | 59 | 66% | 0.66 | 33% | 0.332 | S | S | * | . | S | Bend | trans | 64.6 | 27.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D975 | D975-G978 PolarHBondContact O-N 3.44Å; D975-G978 PolarHBondContact OD1-N 3.11Å; D975-G978 VanDerWaalsContact OD2-CA 3.24Å; D975-G978 WeakPolarHBondContact OD2-CA 3.49Å |
| 979 | G | 67 | Low | 82.2 | Confident | 41 Ų | 41 | 56.7 Ų | 56.7 | 42% | 0.423 | 33% | 0.326 | S | S | . | . | trans | -90.2 | -28.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | D975 S977 A981 | D975-G979 PolarHBondContact OD1-N 3.26Å; D975-G979 VanDerWaalsContact OD1-N 3.14Å; D975-G979 PolarHBondContact OD2-N 3.24Å; S977-G979 VanDerWaalsContact C-N 3.27Å; S977-G979 PolarHBondContact O-N 3.21Å; S977-G979 PolarHBondContact OG-N 3.47Å; G979-A981 PolarHBondContact O-N 2.93Å | ||
| 980 | S | 74.1 | Confident | 82.7 | Confident | 14 Ų | 14 | 57.5 Ų | 57.5 | 10% | 0.098 | 33% | 0.328 | C | S | . | . | trans | -94.4 | 96.8 | -172.7 | -74.7 | 0 | 0 | 0 | 0 | 111.3 | E793 H797 D975 H982 I983 | E793-S980 PolarHBondContact OE2-OG 2.91Å; H797-S980 PolarHBondContact CE1-OG 2.68Å; H797-S980 VanDerWaalsContact CE1-OG 3.31Å; D975-S980 PolarHBondContact OD2-N 2.57Å; S980-H982 PolarHBondContact O-N 3.17Å; S980-I983 PolarHBondContact O-N 3.37Å | ||
| 981 | A | 72.8 | Confident | 83 | Confident | 89 Ų | 89 | 50.8 Ų | 50.8 | 74% | 0.736 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -5.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | G979 | G979-A981 PolarHBondContact O-N 2.93Š|
| 982 | H | 81.7 | Confident | 83.1 | Confident | 177 Ų | 177 | 57.2 Ų | 57.2 | 82% | 0.819 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | -12.3 | 174.8 | -58.1 | -41.2 | 0 | 0 | 0 | 113.9 | S980 H984 | S980-H982 PolarHBondContact O-N 3.17Å; H982-H984 PolarHBondContact O-N 2.85Å |
| 983 | I | 84.1 | Confident | 83.2 | Confident | 18 Ų | 18 | 57.6 Ų | 57.6 | 9% | 0.092 | 34% | 0.341 | C | S | . | . | trans | -100.7 | 81.2 | -177 | -56.5 | -176.6 | 0 | 0 | 0 | 109.3 | E793 N972 L974 D975 S980 P991 W993 | E793-I983 WeakPolarHBondContact OE2-CD1 3.31Å; N972-I983 PolarHBondContact ND2-O 3.42Å; N972-I983 VanDerWaalsContact ND2-O 3.11Å; L974-I983 HydrophobicContact CB-CG2 3.48Å; L974-I983 VanDerWaalsContact CB-CG2 3.48Å; D975-I983 HydrophobicContact CB-CB 4.01Å; D975-I983 HydrophobicContact CB-CD1 4.46Å; D975-I983 HydrophobicContact CB-CG2 3.9Å; S980-I983 PolarHBondContact O-N 3.37Å; I983-P991 HydrophobicContact CD1-CG 4.48Å; I983-W993 HydrophobicContact CD1-CZ2 3.93Å | ||
| 984 | H | 85 | Confident | 83.3 | Confident | 123 Ų | 123 | 57.9 Ų | 57.9 | 57% | 0.569 | 34% | 0.344 | S | S | * | . | trans | -66 | 160.1 | 177.4 | -58.3 | 169.5 | 0 | 0 | 0 | 111.7 | Y964 N972 H982 Q986 | Y964-H984 WeakPolarHBondContact CE2-O 3.44Å; Y964-H984 PolarHBondContact OH-O 2.73Å; N972-H984 PolarHBondContact ND2-O 3.48Å; H982-H984 PolarHBondContact O-N 2.85Å; H984-Q986 WeakPolarHBondContact CB-O 3.39Å; H984-Q986 PolarHBondContact O-N 2.8Å | ||
| 985 | K | 83.7 | Confident | 83.4 | Confident | 73 Ų | 73 | 58.1 Ų | 58.1 | 32% | 0.317 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -69.4 | -12.8 | 170.2 | -79.1 | -172.3 | 172.7 | -168.4 | 0 | 113.8 | Y966 C969 R970 N972 | Y966-K985 PolarHBondContact N-O 3.24Å; C969-K985 PolarHBondContact O-NZ 3.33Å; R970-K985 PolarHBondContact O-NZ 3.3Å; N972-K985 HydrophobicContact CB-CG 3.86Å |
| 986 | Q | 87.4 | Confident | 83.7 | Confident | 107 Ų | 107 | 59.6 Ų | 59.6 | 50% | 0.5 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 134.4 | 178.5 | -75.6 | 176.4 | -8.3 | 0 | 0 | 109.7 | Y964 D965 S967 H984 | Y964-Q986 WeakPolarHBondContact O-CA 3.39Å; D965-Q986 HydrophobicContact CB-CG 3.99Å; D965-Q986 WeakPolarHBondContact OD1-CG 3.45Å; D965-Q986 PolarHBondContact OD1-NE2 3.28Å; D965-Q986 PolarHBondContact OD2-NE2 2.89Å; D965-Q986 VanDerWaalsContact OD2-NE2 3.11Å; S967-Q986 PolarHBondContact OG-NE2 2.81Å; H984-Q986 WeakPolarHBondContact CB-O 3.39Å; H984-Q986 PolarHBondContact O-N 2.8Å |
| 987 | G | 84.6 | Confident | 84 | Confident | 24 Ų | 24 | 58.6 Ų | 58.6 | 25% | 0.247 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.6 | 178.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | A963 Y964 | A963-G987 CarbonylContact C-O 3.16Å; A963-G987 WeakPolarHBondContact CA-O 3.48Å; Y964-G987 PolarHBondContact N-O 3.21Å; Y964-G987 PolarHBondContact O-N 2.83Å |
| 988 | I | 84.1 | Confident | 84.7 | Confident | 152 Ų | 152 | 62.2 Ų | 62.2 | 78% | 0.779 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 118.3 | 178.8 | -54.9 | 176.3 | 0 | 0 | 0 | 107.9 | A963 | A963-I988 HydrophobicContact CB-CG1 4.23Å |
| 989 | G | 80 | Confident | 85.6 | Confident | 27 Ų | 27 | 59.1 Ų | 59.1 | 28% | 0.278 | 32% | 0.321 | S | S | . | . | S | Bend | trans | 71.7 | 150.4 | -165.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G962 Y964 | G962-G989 PolarHBondContact O-N 3.18Å; Y964-G989 VanDerWaalsContact CE1-O 3.27Å; Y964-G989 WeakPolarHBondContact CE1-O 3.24Å |
| 990 | R | 88.8 | Confident | 86.8 | Confident | 25 Ų | 25 | 60 Ų | 60 | 9% | 0.094 | 31% | 0.314 | C | S | . | . | trans | -90.2 | 159.8 | 177.2 | -68.3 | 167.3 | -162.9 | -113.6 | -5.1 | 110.8 | D931 G933 W960 Y964 Y966 A994 | D931-R990 VanDerWaalsContact CG-NH2 3.31Å; D931-R990 IonicContact OD1-CZ 3.85Å; D931-R990 IonicContact OD1-NH1 2.77Å; D931-R990 PolarHBondContact OD1-NH1 3.1Å; D931-R990 IonicContact OD1-NH2 3.53Å; D931-R990 PolarHBondContact OD1-NH2 2.72Å; D931-R990 IonicContact OD2-CZ 3.88Å; D931-R990 IonicContact OD2-NH1 3.17Å; D931-R990 IonicContact OD2-NH2 2.98Å; D931-R990 PolarHBondContact OD2-NH2 2.66Å; G933-R990 PolarHBondContact O-NH1 3.02Å; W960-R990 HydrophobicContact CH2-CB 4.08Å; W960-R990 HydrophobicContact CZ2-CB 4.19Å; W960-R990 HydrophobicContact CZ3-CB 4.44Å; W960-R990 VanDerWaalsContact CZ3-CD 3.45Å; Y964-R990 HydrophobicContact CD1-CG 4.35Å; Y966-R990 PolarHBondContact OH-NH1 2.96Å; R990-A994 HydrophobicContact CB-CB 4.1Å | ||
| 991 | P | 89.7 | Confident | 87.5 | Confident | 28 Ų | 28 | 61 Ų | 61 | 18% | 0.182 | 32% | 0.318 | C | S | . | . | trans | -55.6 | 147.7 | 176.8 | -24.8 | 34.7 | 0 | 0 | 0 | 112.6 | L974 I983 W993 A994 | L974-P991 HydrophobicContact CD2-CG 4.49Å; I983-P991 HydrophobicContact CD1-CG 4.48Å; P991-W993 HydrophobicContact CB-CD2 4.29Å; P991-W993 HydrophobicContact CB-CG 4.24Å; P991-W993 HydrophobicContact CB-CZ2 4.37Å; P991-W993 HydrophobicContact CG-CZ2 4.31Å; P991-W993 PolarHBondContact O-N 3.1Å; P991-A994 VanDerWaalsContact O-CB 3.25Å; P991-A994 WeakPolarHBondContact O-CB 3.41Å; P991-A994 PolarHBondContact O-N 3.3Å | ||
| 992 | D | 88.5 | Confident | 88 | Confident | 157 Ų | 157 | 64.4 Ų | 64.4 | 84% | 0.84 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -23 | -176.8 | -76.3 | -12.3 | 0 | 0 | 0 | 114.2 | H774 | H774-D992 PolarHBondContact NE2-O 3.24Š|
| 993 | W | 91.8 | Very high | 88.2 | Confident | 18 Ų | 18 | 59.4 Ų | 59.4 | 7% | 0.068 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -15.5 | 177.2 | 60.2 | -104.1 | 0 | 0 | 0 | 114.1 | M791 E793 P794 L974 I983 P991 | M791-W993 HydrophobicContact CG-CE3 4.21Å; M791-W993 HydrophobicContact CG-CZ3 4.11Å; M791-W993 HydrophobicContact SD-CE3 4.37Å; E793-W993 HydrophobicContact CB-CD2 4.25Å; E793-W993 HydrophobicContact CB-CZ2 3.79Å; E793-W993 HydrophobicContact CG-CG 4.48Å; E793-W993 PolarHBondContact OE1-NE1 2.81Å; E793-W993 VanDerWaalsContact OE1-NE1 3.09Å; P794-W993 HydrophobicContact CG-CB 4.33Å; L974-W993 WeakPolarHBondContact O-CH2 3.22Å; L974-W993 WeakPolarHBondContact O-CZ2 3.41Å; I983-W993 HydrophobicContact CD1-CZ2 3.93Å; P991-W993 HydrophobicContact CB-CD2 4.29Å; P991-W993 HydrophobicContact CB-CG 4.24Å; P991-W993 HydrophobicContact CB-CZ2 4.37Å; P991-W993 HydrophobicContact CG-CZ2 4.31Å; P991-W993 PolarHBondContact O-N 3.1Å |
| 994 | A | 92.4 | Very high | 88.5 | Confident | 7 Ų | 7 | 59.6 Ų | 59.6 | 6% | 0.058 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -71.4 | 153.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S934 W960 R990 P991 | S934-A994 CarbonylContact O-C 3.53Å; S934-A994 WeakPolarHBondContact O-CA 3.09Å; S934-A994 WeakPolarHBondContact O-CB 2.88Å; W960-A994 HydrophobicContact CH2-CB 3.72Å; W960-A994 WeakPolarHBondContact CH2-O 3.42Å; W960-A994 HydrophobicContact CZ2-CB 4.43Å; R990-A994 HydrophobicContact CB-CB 4.1Å; P991-A994 VanDerWaalsContact O-CB 3.25Å; P991-A994 WeakPolarHBondContact O-CB 3.41Å; P991-A994 PolarHBondContact O-N 3.3Å |
| 995 | L | 92.9 | Very high | 88.8 | Confident | 6 Ų | 6 | 53.8 Ų | 53.8 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 110.4 | -169.1 | -178.1 | 63 | 0 | 0 | 0 | 114.1 | P772 M791 S934 E935 L936 Y937 G997 | P772-L995 HydrophobicContact CB-CD1 3.98Å; P772-L995 HydrophobicContact CB-CD2 3.91Å; P772-L995 HydrophobicContact CB-CG 4.18Å; M791-L995 HydrophobicContact CE-CB 3.55Å; M791-L995 HydrophobicContact CE-CD2 3.67Å; M791-L995 HydrophobicContact CE-CG 4.22Å; M791-L995 HydrophobicContact SD-CB 4.05Å; S934-L995 PolarHBondContact O-N 3.18Å; E935-L995 WeakPolarHBondContact CA-O 3.5Å; E935-L995 HydrophobicContact CB-CB 4.41Å; E935-L995 HydrophobicContact CG-CB 4.39Å; L936-L995 PolarHBondContact N-O 2.81Å; Y937-L995 HydrophobicContact CE1-CD2 4.12Å; L995-G997 PolarHBondContact O-N 2.69Å |
| 996 | F | 93.7 | Very high | 89.2 | Confident | 48 Ų | 48 | 50.6 Ų | 50.6 | 21% | 0.211 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 103.9 | 160.8 | -173.9 | -100 | 0 | 0 | 0 | 110.6 | L936 L953 A956 Q957 W960 R998 | L936-F996 HydrophobicContact CD2-CD2 3.61Å; L936-F996 HydrophobicContact CD2-CE2 3.55Å; L953-F996 HydrophobicContact CD1-CE1 4.1Å; L953-F996 HydrophobicContact CD1-CZ 4.12Å; A956-F996 HydrophobicContact CB-CE2 4.01Å; A956-F996 HydrophobicContact CB-CZ 3.95Å; Q957-F996 HydrophobicContact CG-CZ 4.21Å; W960-F996 HydrophobicContact CB-CD2 3.8Å; W960-F996 HydrophobicContact CB-CE2 4.08Å; W960-F996 HydrophobicContact CD2-CB 3.71Å; W960-F996 AromaticContact CD2-CD2 3.79Å; W960-F996 HydrophobicContact CD2-CD2 3.79Å; W960-F996 HydrophobicContact CD2-CG 4.14Å; W960-F996 HydrophobicContact CE3-CB 3.79Å; W960-F996 AromaticContact CE3-CD2 3.74Å; W960-F996 HydrophobicContact CE3-CD2 3.74Å; W960-F996 HydrophobicContact CE3-CG 4.26Å; W960-F996 HydrophobicContact CG-CB 4.29Å; W960-F996 AromaticContact CG-CD2 3.8Å; W960-F996 HydrophobicContact CG-CD2 3.8Å; W960-F996 HydrophobicContact CG-CG 4.29Å; W960-F996 HydrophobicContact CH2-CB 4.17Å; W960-F996 HydrophobicContact CZ2-CB 4.12Å; W960-F996 HydrophobicContact CZ3-CB 4Å; F996-R998 HydrophobicContact CE1-CG 4.21Å |
| 997 | G | 90.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 142.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | P772 L936 Y937 L938 L995 | P772-G997 VanDerWaalsContact CG-CA 3.5Å; L936-G997 PolarHBondContact O-N 3.43Å; Y937-G997 WeakPolarHBondContact CA-O 3.41Å; L938-G997 PolarHBondContact N-O 2.78Å; L995-G997 PolarHBondContact O-N 2.69Å |
| 998 | R | 93 | Very high | 90 | Very high | 108 Ų | 108 | 44.4 Ų | 44.4 | 41% | 0.408 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 130.8 | 158.3 | -58.2 | -176.9 | -157.3 | 172.6 | 3.4 | 108.4 | P772 L938 L953 F996 | P772-R998 WeakPolarHBondContact CD-O 3.4Å; P772-R998 WeakPolarHBondContact CG-O 3.43Å; L938-R998 WeakPolarHBondContact O-CA 3.28Å; L953-R998 VanDerWaalsContact CD1-CZ 3.44Å; L953-R998 VanDerWaalsContact CD1-NE 3.35Å; L953-R998 VanDerWaalsContact CD2-CZ 3.49Å; F996-R998 HydrophobicContact CE1-CG 4.21Å |
| 999 | V | 92.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 148.6 | -176.4 | -168.7 | 0 | 0 | 0 | 0 | 108.1 | P772 Y937 L938 W939 H940 E1004 F1008 | P772-V999 HydrophobicContact CG-CG2 4.29Å; Y937-V999 HydrophobicContact CD1-CG2 3.6Å; Y937-V999 HydrophobicContact CE1-CG2 4.38Å; Y937-V999 HydrophobicContact CG-CG2 4.3Å; L938-V999 PolarHBondContact O-N 3.04Å; W939-V999 WeakPolarHBondContact CA-O 3.17Å; W939-V999 HydrophobicContact CB-CB 4.48Å; H940-V999 PolarHBondContact N-O 2.92Å; V999-E1004 HydrophobicContact CG1-CB 4.17Å; V999-E1004 HydrophobicContact CG1-CG 3.82Å; V999-F1008 HydrophobicContact CG1-CD1 4.23Å; V999-F1008 HydrophobicContact CG1-CE1 4.35Å; V999-F1008 HydrophobicContact CG2-CD2 4.38Å; V999-F1008 HydrophobicContact CG2-CG 4.45Å |
| 1000 | F | 92.1 | Very high | 91 | Very high | 59 Ų | 59 | 39.7 Ų | 39.7 | 26% | 0.259 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 147.5 | 176.4 | -62.7 | -91.3 | 0 | 0 | 0 | 108.6 | T770 H940 Q1002 N1003 | T770-F1000 HydrophobicContact CG2-CD2 4.5Å; T770-F1000 HydrophobicContact CG2-CE2 4.19Å; H940-F1000 HydrophobicContact CB-CD1 3.78Å; H940-F1000 HydrophobicContact CB-CE1 4.02Å; H940-F1000 AromaticContact CD2-CE1 3.52Å; H940-F1000 AromaticContact CD2-CZ 3.93Å; H940-F1000 WeakPolarHBondContact O-CA 3.26Å; F1000-Q1002 PolarHBondContact O-N 3.06Å; F1000-N1003 HydrophobicContact CB-CB 4.45Å; F1000-N1003 CarbonylContact O-C 3.56Å; F1000-N1003 WeakPolarHBondContact O-CA 3.16Å; F1000-N1003 PolarHBondContact O-N 2.61Å |
| 1001 | D | 88.8 | Confident | 91.2 | Very high | 34 Ų | 34 | 38.7 Ų | 38.7 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -40.5 | 121.3 | 166.1 | -171.3 | -14.9 | 0 | 0 | 0 | 110.3 | W939 H940 K942 N1003 E1004 | W939-D1001 HydrophobicContact CH2-CB 4.46Å; W939-D1001 HydrophobicContact CZ2-CB 3.78Å; H940-D1001 PolarHBondContact O-N 3.04Å; K942-D1001 HydrophobicContact CB-CB 4.01Å; K942-D1001 WeakPolarHBondContact CB-OD2 3.17Å; K942-D1001 VanDerWaalsContact CD-OD2 3.23Å; K942-D1001 WeakPolarHBondContact CD-OD2 3.16Å; K942-D1001 WeakPolarHBondContact CG-OD2 3.13Å; K942-D1001 PolarHBondContact N-OD2 2.9Å; K942-D1001 IonicContact NZ-OD2 2.65Å; D1001-N1003 VanDerWaalsContact C-N 3.33Å; D1001-N1003 PolarHBondContact O-N 3.07Å; D1001-E1004 VanDerWaalsContact CA-OE1 3.26Å; D1001-E1004 WeakPolarHBondContact CA-OE1 3.14Å |
| 1002 | Q | 82.8 | Confident | 91.3 | Very high | 161 Ų | 161 | 37.7 Ų | 37.7 | 75% | 0.752 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | 3.2 | -177 | -42 | -174.5 | -18.5 | 0 | 0 | 116.4 | F1000 E1004 | F1000-Q1002 PolarHBondContact O-N 3.06Å; Q1002-E1004 VanDerWaalsContact C-OE2 3.32Å; Q1002-E1004 WeakPolarHBondContact CA-OE2 3.47Å; Q1002-E1004 PolarHBondContact N-OE1 3.35Å; Q1002-E1004 PolarHBondContact N-OE2 2.77Å |
| 1003 | N | 87.1 | Confident | 91 | Very high | 72 Ų | 72 | 32.3 Ų | 32.3 | 39% | 0.385 | 16% | 0.155 | S | C | . | . | trans | -127.9 | 37.5 | 174.7 | -162 | 102 | 0 | 0 | 0 | 111 | F1000 D1001 | F1000-N1003 HydrophobicContact CB-CB 4.45Å; F1000-N1003 CarbonylContact O-C 3.56Å; F1000-N1003 WeakPolarHBondContact O-CA 3.16Å; F1000-N1003 PolarHBondContact O-N 2.61Å; D1001-N1003 VanDerWaalsContact C-N 3.33Å; D1001-N1003 PolarHBondContact O-N 3.07Å | ||
| 1004 | E | 89.6 | Confident | 89.6 | Confident | 22 Ų | 22 | 34.5 Ų | 34.5 | 10% | 0.103 | 17% | 0.169 | C | C | . | . | trans | -73.2 | 132.6 | 171.9 | -66.5 | 78 | -169.7 | 0 | 0 | 112.4 | W939 V999 D1001 Q1002 F1008 K1009 | W939-E1004 PolarHBondContact NE1-OE1 3.05Å; V999-E1004 HydrophobicContact CG1-CB 4.17Å; V999-E1004 HydrophobicContact CG1-CG 3.82Å; D1001-E1004 VanDerWaalsContact CA-OE1 3.26Å; D1001-E1004 WeakPolarHBondContact CA-OE1 3.14Å; Q1002-E1004 VanDerWaalsContact C-OE2 3.32Å; Q1002-E1004 WeakPolarHBondContact CA-OE2 3.47Å; Q1002-E1004 PolarHBondContact N-OE1 3.35Å; Q1002-E1004 PolarHBondContact N-OE2 2.77Å; E1004-F1008 HydrophobicContact CB-CD1 3.85Å; E1004-F1008 HydrophobicContact CB-CE1 4.45Å; E1004-F1008 HydrophobicContact CG-CD1 3.6Å; E1004-F1008 HydrophobicContact CG-CE1 3.7Å; E1004-K1009 HydrophobicContact CB-CD 4.44Å; E1004-K1009 HydrophobicContact CB-CG 4.06Å; E1004-K1009 WeakPolarHBondContact O-CE 3Å; E1004-K1009 PolarHBondContact O-NZ 3.43Å | ||
| 1005 | T | 92.1 | Very high | 87.5 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | trans | -73.3 | 158.9 | 172 | 63 | 0 | 0 | 0 | 0 | 111.8 | V771 D841 L842 L1007 F1008 K1009 | V771-T1005 HydrophobicContact CG1-CG2 3.43Å; V771-T1005 VanDerWaalsContact CG1-CG2 3.43Å; D841-T1005 WeakPolarHBondContact OD1-CG2 3.39Å; D841-T1005 WeakPolarHBondContact OD2-CA 3.47Å; D841-T1005 WeakPolarHBondContact OD2-CB 3.48Å; L842-T1005 HydrophobicContact CD2-CG2 3.97Å; T1005-L1007 VanDerWaalsContact C-N 3.34Å; T1005-L1007 PolarHBondContact O-N 3.06Å; T1005-F1008 PolarHBondContact O-N 2.85Å; T1005-F1008 VanDerWaalsContact O-N 3.15Å; T1005-F1008 WeakPolarHBondContact OG1-CB 3.4Å; T1005-F1008 PolarHBondContact OG1-N 3.13Å; T1005-F1008 VanDerWaalsContact OG1-N 3.12Å; T1005-K1009 WeakPolarHBondContact O-CG 3.22Å; T1005-K1009 PolarHBondContact O-N 3.26Å | ||
| 1006 | I | 92.3 | Very high | 84.8 | Confident | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.026 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -51 | -52.5 | 167.9 | -169.7 | 66 | 0 | 0 | 0 | 110.7 | M832 L835 I836 D841 L842 F1008 K1009 E1010 F1016 | M832-I1006 HydrophobicContact CE-CG1 4.11Å; M832-I1006 HydrophobicContact CE-CG2 4.49Å; M832-I1006 HydrophobicContact CG-CG1 4.17Å; L835-I1006 HydrophobicContact CB-CD1 4.1Å; L835-I1006 HydrophobicContact CB-CG1 4.47Å; L835-I1006 HydrophobicContact CD1-CD1 3.62Å; I836-I1006 HydrophobicContact CD1-CG2 4.29Å; I836-I1006 HydrophobicContact CG1-CG2 3.65Å; D841-I1006 VanDerWaalsContact OD2-CG2 3.28Å; D841-I1006 WeakPolarHBondContact OD2-CG2 3.21Å; D841-I1006 PolarHBondContact OD2-N 3.14Å; L842-I1006 HydrophobicContact CD1-CG2 3.88Å; L842-I1006 HydrophobicContact CG-CG2 4.03Å; I1006-F1008 PolarHBondContact O-N 2.95Å; I1006-F1008 VanDerWaalsContact O-N 3.12Å; I1006-K1009 PolarHBondContact O-N 2.89Å; I1006-E1010 HydrophobicContact CD1-CG 4.48Å; I1006-E1010 HydrophobicContact CG1-CG 4.4Å; I1006-E1010 VanDerWaalsContact O-CG 3.26Å; I1006-E1010 WeakPolarHBondContact O-CG 3.45Å; I1006-E1010 PolarHBondContact O-N 3.19Å; I1006-F1016 HydrophobicContact CD1-CE2 4.46Å; I1006-F1016 HydrophobicContact CD1-CZ 3.7Å |
| 1007 | L | 94 | Very high | 82.1 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.2 | -23.9 | 180 | -175.4 | 59.2 | 0 | 0 | 0 | 113.4 | M777 I779 V789 M791 L842 E935 Y937 T1005 K1011 | M777-L1007 HydrophobicContact CE-CD2 4.02Å; I779-L1007 HydrophobicContact CD1-CD1 4.32Å; I779-L1007 HydrophobicContact CD1-CD2 4.14Å; I779-L1007 HydrophobicContact CG1-CD2 4.46Å; I779-L1007 HydrophobicContact CG2-CD1 3.82Å; V789-L1007 HydrophobicContact CG1-CD1 3.6Å; M791-L1007 HydrophobicContact CE-CD2 3.68Å; L842-L1007 HydrophobicContact CD1-CB 4.17Å; L842-L1007 HydrophobicContact CD2-CB 4.09Å; E935-L1007 HydrophobicContact CG-CD2 4.39Å; Y937-L1007 WeakPolarHBondContact OH-CG 3.49Å; T1005-L1007 VanDerWaalsContact C-N 3.34Å; T1005-L1007 PolarHBondContact O-N 3.06Å; L1007-K1011 WeakPolarHBondContact O-CE 3.2Å; L1007-K1011 WeakPolarHBondContact O-CG 3.41Å |
| 1008 | F | 94.5 | Very high | 79.3 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -81.8 | -42.1 | 170.7 | -179.2 | -101.3 | 0 | 0 | 0 | 112.1 | L922 F930 Y937 W939 V999 E1004 T1005 I1006 E1010 K1011 F1012 | L922-F1008 HydrophobicContact CD1-CE1 4.19Å; L922-F1008 HydrophobicContact CD2-CE1 4.47Å; L922-F1008 HydrophobicContact CD2-CZ 4.3Å; F930-F1008 AromaticContact CD2-CE2 3.83Å; F930-F1008 HydrophobicContact CD2-CE2 3.83Å; F930-F1008 HydrophobicContact CD2-CZ 4.04Å; F930-F1008 HydrophobicContact CE2-CE2 4.12Å; F930-F1008 AromaticContact CE2-CZ 3.84Å; F930-F1008 HydrophobicContact CE2-CZ 3.84Å; F930-F1008 HydrophobicContact CG-CE2 4.15Å; F930-F1008 HydrophobicContact CZ-CZ 4.25Å; Y937-F1008 HydrophobicContact CD1-CD2 4.03Å; Y937-F1008 AromaticContact CD2-CD2 3.66Å; Y937-F1008 HydrophobicContact CD2-CD2 3.66Å; Y937-F1008 HydrophobicContact CD2-CE2 4.28Å; Y937-F1008 HydrophobicContact CE1-CB 4.4Å; Y937-F1008 HydrophobicContact CE1-CD2 4.5Å; Y937-F1008 HydrophobicContact CE2-CD2 4.14Å; Y937-F1008 AromaticContact CG-CD2 3.57Å; Y937-F1008 HydrophobicContact CG-CD2 3.57Å; Y937-F1008 HydrophobicContact CG-CE2 4.07Å; W939-F1008 HydrophobicContact CB-CZ 4.13Å; W939-F1008 AromaticContact CD1-CE1 3.78Å; W939-F1008 AromaticContact CD1-CZ 3.81Å; W939-F1008 HydrophobicContact CG-CZ 4.17Å; V999-F1008 HydrophobicContact CG1-CD1 4.23Å; V999-F1008 HydrophobicContact CG1-CE1 4.35Å; V999-F1008 HydrophobicContact CG2-CD2 4.38Å; V999-F1008 HydrophobicContact CG2-CG 4.45Å; E1004-F1008 HydrophobicContact CB-CD1 3.85Å; E1004-F1008 HydrophobicContact CB-CE1 4.45Å; E1004-F1008 HydrophobicContact CG-CD1 3.6Å; E1004-F1008 HydrophobicContact CG-CE1 3.7Å; T1005-F1008 PolarHBondContact O-N 2.85Å; T1005-F1008 VanDerWaalsContact O-N 3.15Å; T1005-F1008 WeakPolarHBondContact OG1-CB 3.4Å; T1005-F1008 PolarHBondContact OG1-N 3.13Å; T1005-F1008 VanDerWaalsContact OG1-N 3.12Å; I1006-F1008 PolarHBondContact O-N 2.95Å; I1006-F1008 VanDerWaalsContact O-N 3.12Å; F1008-E1010 VanDerWaalsContact C-N 3.34Å; F1008-E1010 PolarHBondContact O-N 2.74Å; F1008-K1011 WeakPolarHBondContact O-CB 3.46Å; F1008-K1011 WeakPolarHBondContact O-CG 3.49Å; F1008-K1011 PolarHBondContact O-N 3.02Å; F1008-F1012 AromaticContact CD1-CE2 3.85Å; F1008-F1012 HydrophobicContact CD1-CE2 3.85Å; F1008-F1012 HydrophobicContact CD2-CE2 4.43Å; F1008-F1012 AromaticContact CE1-CE2 3.52Å; F1008-F1012 HydrophobicContact CE1-CE2 3.52Å; F1008-F1012 AromaticContact CE1-CZ 3.81Å; F1008-F1012 HydrophobicContact CE1-CZ 3.81Å; F1008-F1012 HydrophobicContact CE2-CE2 4.13Å; F1008-F1012 HydrophobicContact CE2-CZ 4.28Å; F1008-F1012 HydrophobicContact CG-CE2 4.32Å; F1008-F1012 AromaticContact CZ-CE2 3.68Å; F1008-F1012 HydrophobicContact CZ-CE2 3.68Å; F1008-F1012 AromaticContact CZ-CZ 3.65Å; F1008-F1012 HydrophobicContact CZ-CZ 3.65Å; F1008-F1012 VanDerWaalsContact O-CD2 3.25Å; F1008-F1012 WeakPolarHBondContact O-CD2 3.5Å; F1008-F1012 VanDerWaalsContact O-CE2 3.3Å; F1008-F1012 WeakPolarHBondContact O-CE2 3.46Å |
| 1009 | K | 92.6 | Very high | 76.5 | Confident | 64 Ų | 64 | 46.3 Ų | 46.3 | 28% | 0.278 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60 | -41.8 | 178.1 | -72.8 | 164.4 | -178.5 | 156.4 | 0 | 112.2 | E1004 T1005 I1006 K1011 F1012 S1015 | E1004-K1009 HydrophobicContact CB-CD 4.44Å; E1004-K1009 HydrophobicContact CB-CG 4.06Å; E1004-K1009 WeakPolarHBondContact O-CE 3Å; E1004-K1009 PolarHBondContact O-NZ 3.43Å; T1005-K1009 WeakPolarHBondContact O-CG 3.22Å; T1005-K1009 PolarHBondContact O-N 3.26Å; I1006-K1009 PolarHBondContact O-N 2.89Å; K1009-K1011 PolarHBondContact O-N 3.49Å; K1009-F1012 PolarHBondContact O-N 3.28Å; K1009-S1015 WeakPolarHBondContact O-CB 3.19Å; K1009-S1015 PolarHBondContact O-OG 3.45Å |
| 1010 | E | 92.6 | Very high | 73.6 | Confident | 16 Ų | 16 | 50 Ų | 50 | 8% | 0.075 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -4.3 | 179 | -60 | -70.8 | -167 | 0 | 0 | 114.1 | V789 K828 M832 I1006 F1008 F1012 F1016 | V789-E1010 HydrophobicContact CB-CB 3.95Å; V789-E1010 HydrophobicContact CG1-CB 4.41Å; V789-E1010 HydrophobicContact CG2-CB 3.79Å; V789-E1010 HydrophobicContact CG2-CG 4.23Å; K828-E1010 VanDerWaalsContact CE-CD 3.46Å; K828-E1010 VanDerWaalsContact CE-OE1 3.26Å; K828-E1010 WeakPolarHBondContact CE-OE1 3.47Å; K828-E1010 WeakPolarHBondContact CE-OE2 3.44Å; K828-E1010 IonicContact NZ-OE1 3.43Å; K828-E1010 PolarHBondContact NZ-OE1 2.71Å; K828-E1010 IonicContact NZ-OE2 3.64Å; K828-E1010 PolarHBondContact NZ-OE2 2.83Å; M832-E1010 HydrophobicContact CE-CG 4.03Å; M832-E1010 HydrophobicContact CG-CG 4.14Å; M832-E1010 WeakPolarHBondContact CG-OE1 3.07Å; M832-E1010 HydrophobicContact SD-CG 3.87Å; I1006-E1010 HydrophobicContact CD1-CG 4.48Å; I1006-E1010 HydrophobicContact CG1-CG 4.4Å; I1006-E1010 VanDerWaalsContact O-CG 3.26Å; I1006-E1010 WeakPolarHBondContact O-CG 3.45Å; I1006-E1010 PolarHBondContact O-N 3.19Å; F1008-E1010 VanDerWaalsContact C-N 3.34Å; F1008-E1010 PolarHBondContact O-N 2.74Å; E1010-F1012 VanDerWaalsContact C-N 3.33Å; E1010-F1016 HydrophobicContact CG-CE2 4.37Å; E1010-F1016 WeakPolarHBondContact OE1-CE2 3.22Å; E1010-F1016 WeakPolarHBondContact OE1-CZ 3.46Å; E1010-F1016 WeakPolarHBondContact OE2-CE2 3.31Å |
| 1011 | K | 92.7 | Very high | 70.7 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.017 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -10 | 171.8 | -49.6 | -67.8 | 169.7 | 169.6 | 0 | 112.9 | V789 V916 P917 F932 E935 L1007 F1008 K1009 | V789-K1011 PolarHBondContact O-NZ 3.43Å; V916-K1011 WeakPolarHBondContact CG1-O 3.49Å; P917-K1011 VanDerWaalsContact CD-O 3.3Å; P917-K1011 WeakPolarHBondContact CD-O 3.47Å; P917-K1011 WeakPolarHBondContact CG-O 3.26Å; F932-K1011 HydrophobicContact CD1-CD 4.43Å; F932-K1011 HydrophobicContact CD2-CD 4Å; F932-K1011 HydrophobicContact CD2-CG 3.99Å; F932-K1011 HydrophobicContact CE1-CB 4.03Å; F932-K1011 HydrophobicContact CE1-CD 4.49Å; F932-K1011 HydrophobicContact CE1-CG 4.39Å; F932-K1011 HydrophobicContact CE2-CB 3.84Å; F932-K1011 HydrophobicContact CE2-CD 4.07Å; F932-K1011 HydrophobicContact CE2-CG 3.56Å; F932-K1011 HydrophobicContact CG-CD 4.19Å; F932-K1011 HydrophobicContact CZ-CB 3.5Å; F932-K1011 HydrophobicContact CZ-CD 4.31Å; F932-K1011 HydrophobicContact CZ-CG 3.78Å; E935-K1011 IonicContact OE1-NZ 2.83Å; E935-K1011 PolarHBondContact OE1-NZ 2.67Å; E935-K1011 WeakPolarHBondContact OE2-CE 3.17Å; E935-K1011 IonicContact OE2-NZ 3.64Å; E935-K1011 PolarHBondContact OE2-NZ 3.44Å; L1007-K1011 WeakPolarHBondContact O-CE 3.2Å; L1007-K1011 WeakPolarHBondContact O-CG 3.41Å; F1008-K1011 WeakPolarHBondContact O-CB 3.46Å; F1008-K1011 WeakPolarHBondContact O-CG 3.49Å; F1008-K1011 PolarHBondContact O-N 3.02Å; K1009-K1011 PolarHBondContact O-N 3.49Å |
| 1012 | F | 91.4 | Very high | 67.9 | Low | 7 Ų | 7 | 59.1 Ų | 59.1 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -109.6 | 141.2 | -173.6 | -62.8 | -96.7 | 0 | 0 | 0 | 112.3 | P917 L922 F930 F1008 K1009 E1010 N1014 S1015 | P917-F1012 HydrophobicContact CB-CD1 3.79Å; P917-F1012 HydrophobicContact CB-CE1 3.73Å; P917-F1012 HydrophobicContact CG-CD1 3.9Å; P917-F1012 HydrophobicContact CG-CE1 3.94Å; P917-F1012 HydrophobicContact CG-CG 4.36Å; P917-F1012 HydrophobicContact CG-CZ 4.41Å; P917-F1012 VanDerWaalsContact O-CA 3.28Å; P917-F1012 WeakPolarHBondContact O-CA 3.49Å; L922-F1012 HydrophobicContact CD1-CE1 4.27Å; L922-F1012 HydrophobicContact CD1-CZ 4.07Å; L922-F1012 HydrophobicContact CD2-CE1 4.14Å; L922-F1012 HydrophobicContact CD2-CZ 3.93Å; L922-F1012 HydrophobicContact CG-CE1 4.12Å; L922-F1012 HydrophobicContact CG-CZ 4.21Å; F930-F1012 HydrophobicContact CD1-CZ 4.43Å; F930-F1012 AromaticContact CE1-CE1 3.91Å; F930-F1012 HydrophobicContact CE1-CE1 3.91Å; F930-F1012 AromaticContact CE1-CZ 3.65Å; F930-F1012 HydrophobicContact CE1-CZ 3.65Å; F930-F1012 HydrophobicContact CZ-CE1 4.12Å; F930-F1012 AromaticContact CZ-CZ 3.76Å; F930-F1012 HydrophobicContact CZ-CZ 3.76Å; F1008-F1012 AromaticContact CD1-CE2 3.85Å; F1008-F1012 HydrophobicContact CD1-CE2 3.85Å; F1008-F1012 HydrophobicContact CD2-CE2 4.43Å; F1008-F1012 AromaticContact CE1-CE2 3.52Å; F1008-F1012 HydrophobicContact CE1-CE2 3.52Å; F1008-F1012 AromaticContact CE1-CZ 3.81Å; F1008-F1012 HydrophobicContact CE1-CZ 3.81Å; F1008-F1012 HydrophobicContact CE2-CE2 4.13Å; F1008-F1012 HydrophobicContact CE2-CZ 4.28Å; F1008-F1012 HydrophobicContact CG-CE2 4.32Å; F1008-F1012 AromaticContact CZ-CE2 3.68Å; F1008-F1012 HydrophobicContact CZ-CE2 3.68Å; F1008-F1012 AromaticContact CZ-CZ 3.65Å; F1008-F1012 HydrophobicContact CZ-CZ 3.65Å; F1008-F1012 VanDerWaalsContact O-CD2 3.25Å; F1008-F1012 WeakPolarHBondContact O-CD2 3.5Å; F1008-F1012 VanDerWaalsContact O-CE2 3.3Å; F1008-F1012 WeakPolarHBondContact O-CE2 3.46Å; K1009-F1012 PolarHBondContact O-N 3.28Å; E1010-F1012 VanDerWaalsContact C-N 3.33Å; F1012-N1014 VanDerWaalsContact C-N 3.29Å; F1012-N1014 PolarHBondContact O-N 2.68Å; F1012-S1015 PolarHBondContact O-OG 3.15Å |
| 1013 | A | 81.2 | Confident | 65.5 | Low | 44 Ų | 44 | 60 Ų | 60 | 36% | 0.364 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -22.5 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | Q786 V916 P917 | Q786-A1013 VanDerWaalsContact NE2-CB 3.25Å; V916-A1013 HydrophobicContact CG1-CB 4.3Å; P917-A1013 PolarHBondContact O-N 3.3Å; P917-A1013 VanDerWaalsContact O-N 3.13Å |
| 1014 | N | 62.8 | Low | 62.7 | Low | 65 Ų | 65 | 64.3 Ų | 64.3 | 35% | 0.348 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.3 | 45.6 | -171.5 | -66.7 | 71.8 | 0 | 0 | 0 | 111.3 | H918 F1012 | H918-N1014 PolarHBondContact CD2-OD1 2.79Å; H918-N1014 PolarHBondContact NE2-OD1 2.93Å; H918-N1014 VanDerWaalsContact NE2-OD1 3.16Å; F1012-N1014 VanDerWaalsContact C-N 3.29Å; F1012-N1014 PolarHBondContact O-N 2.68Å |
| 1015 | S | 48 | Very low | 59.8 | Low | 33 Ų | 33 | 72 Ų | 72 | 23% | 0.231 | 37% | 0.371 | C | S | . | . | trans | -89.4 | -4.5 | -165.2 | 43.6 | 0 | 0 | 0 | 0 | 115.9 | K1009 F1012 | K1009-S1015 WeakPolarHBondContact O-CB 3.19Å; K1009-S1015 PolarHBondContact O-OG 3.45Å; F1012-S1015 PolarHBondContact O-OG 3.15Å | ||
| 1016 | F | 37.7 | Very low | 57.1 | Low | 32 Ų | 32 | 80 Ų | 80 | 14% | 0.14 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -126 | -23.6 | -163.6 | -93.6 | -92.5 | 0 | 0 | 0 | 119.1 | K828 E831 L835 I1006 E1010 Q1018 T1019 | K828-F1016 VanDerWaalsContact NZ-CG 3.34Å; E831-F1016 VanDerWaalsContact CD-CD1 3.41Å; E831-F1016 HydrophobicContact CG-CE1 3.96Å; E831-F1016 VanDerWaalsContact OE1-CD1 3.25Å; E831-F1016 WeakPolarHBondContact OE1-CD1 3.41Å; E831-F1016 WeakPolarHBondContact OE1-CE1 3.43Å; E831-F1016 WeakPolarHBondContact OE2-CD1 3.2Å; E831-F1016 WeakPolarHBondContact OE2-CE1 3.38Å; L835-F1016 HydrophobicContact CD1-CE1 3.74Å; L835-F1016 HydrophobicContact CD1-CZ 4.01Å; I1006-F1016 HydrophobicContact CD1-CE2 4.46Å; I1006-F1016 HydrophobicContact CD1-CZ 3.7Å; E1010-F1016 HydrophobicContact CG-CE2 4.37Å; E1010-F1016 WeakPolarHBondContact OE1-CE2 3.22Å; E1010-F1016 WeakPolarHBondContact OE1-CZ 3.46Å; E1010-F1016 WeakPolarHBondContact OE2-CE2 3.31Å; F1016-Q1018 PolarHBondContact O-N 3.46Å; F1016-Q1018 VanDerWaalsContact O-N 3.12Å; F1016-T1019 PolarHBondContact O-N 2.87Å; F1016-T1019 PolarHBondContact O-OG1 3.22Å |
| 1017 | E | 35.4 | Very low | 54.2 | Low | 76 Ų | 76 | 85.6 Ų | 85.6 | 36% | 0.355 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64 | -26.7 | -171.4 | -67.2 | 152.2 | 133.3 | 0 | 0 | 113 | T1019 Q1335 S1336 | E1017-T1019 PolarHBondContact O-N 2.84Å; E1017-Q1335 VanDerWaalsContact OE1-O 3.12Å; E1017-S1336 WeakPolarHBondContact OE1-CA 3.19Å |
| 1018 | Q | 33.1 | Very low | 51.2 | Low | 189 Ų | 189 | 90.8 Ų | 90.8 | 88% | 0.883 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -74.2 | -6.6 | -176.1 | -149.2 | 163.5 | 91 | 0 | 0 | 114.5 | F1016 | F1016-Q1018 PolarHBondContact O-N 3.46Å; F1016-Q1018 VanDerWaalsContact O-N 3.12Å |
| 1019 | T | 32.7 | Very low | 48.3 | Very low | 87 Ų | 87 | 96 Ų | 96 | 53% | 0.534 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -111.7 | -28.1 | 179.3 | 17.7 | 0 | 0 | 0 | 0 | 115.2 | F1016 E1017 | F1016-T1019 PolarHBondContact O-N 2.87Å; F1016-T1019 PolarHBondContact O-OG1 3.22Å; E1017-T1019 PolarHBondContact O-N 2.84Å |
| 1020 | S | 31.8 | Very low | 45.5 | Very low | 76 Ų | 76 | 99.2 Ų | 99.2 | 53% | 0.531 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -83.8 | -21.6 | -173.9 | -63.2 | 0 | 0 | 0 | 0 | 114.2 | N1022 K1023 | S1020-N1022 PolarHBondContact O-N 3.19Å; S1020-K1023 PolarHBondContact O-N 3.11Å |
| 1021 | M | 30.8 | Very low | 42.7 | Very low | 140 Ų | 140 | 106 Ų | 106 | 69% | 0.69 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -3.3 | 175.3 | -72.6 | -68.4 | -172.2 | 0 | 0 | 115.4 | ||
| 1022 | N | 30.9 | Very low | 39.8 | Very low | 145 Ų | 145 | 114.4 Ų | 114.4 | 78% | 0.775 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.1 | 14.1 | -178.8 | -83.1 | -62.4 | 0 | 0 | 0 | 114.7 | S1020 | S1020-N1022 PolarHBondContact O-N 3.19Š|
| 1023 | K | 31.3 | Very low | 37 | Very low | 180 Ų | 180 | 120.7 Ų | 120.7 | 78% | 0.783 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -130.8 | 55.7 | 178.9 | -73.7 | -173.2 | 179 | 175.6 | 0 | 114 | S1020 | S1020-K1023 PolarHBondContact O-N 3.11Š|
| 1024 | N | 28.5 | Very low | 34.7 | Very low | 162 Ų | 162 | 125 Ų | 125 | 87% | 0.866 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -159.5 | 59.7 | 155.5 | -103.4 | -22.9 | 0 | 0 | 0 | 113.6 | ||
| 1025 | H | 30.5 | Very low | 33.5 | Very low | 184 Ų | 184 | 127.8 Ų | 127.8 | 85% | 0.852 | 67% | 0.667 | S | S | * | * | trans | -154.8 | 100.8 | 156.3 | -113.8 | -61.1 | 0 | 0 | 0 | 111.4 | ||||
| 1026 | I | 34 | Very low | 32.7 | Very low | 169 Ų | 169 | 132 Ų | 132 | 87% | 0.867 | 69% | 0.691 | S | S | * | * | trans | -96.2 | 88.7 | 172.4 | -58 | 178.1 | 0 | 0 | 0 | 109.1 | ||||
| 1027 | V | 32.6 | Very low | 32.3 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 75% | 0.745 | 73% | 0.726 | S | S | * | * | trans | -143.1 | 119.8 | 151.5 | -173.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1028 | P | 31.1 | Very low | 32.1 | Very low | 110 Ų | 110 | 137 Ų | 137 | 71% | 0.714 | 74% | 0.744 | S | S | * | * | trans | -93.2 | 176.7 | -173 | 36.6 | -36.5 | 0 | 0 | 0 | 114.2 | ||||
| 1029 | S | 31.9 | Very low | 32 | Very low | 110 Ų | 110 | 131.1 Ų | 131.1 | 77% | 0.769 | 73% | 0.725 | S | S | * | * | trans | 76.4 | 138.6 | 170.2 | -95.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1030 | I | 34.1 | Very low | 31.8 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 68% | 0.677 | 74% | 0.74 | S | S | * | * | cis | -162.6 | 161.7 | -11 | -139.3 | 172 | 0 | 0 | 0 | 110.6 | ||||
| 1031 | Q | 34.4 | Very low | 31.8 | Very low | 157 Ų | 157 | 140.2 Ų | 140.2 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | trans | 61.9 | 107.1 | 169.4 | -72.2 | 156.9 | 29.2 | 0 | 0 | 117.3 | ||||
| 1032 | E | 32.6 | Very low | 31.8 | Very low | 182 Ų | 182 | 139.9 Ų | 139.9 | 85% | 0.85 | 75% | 0.753 | S | S | * | * | 70.6 | 103.8 | 71.5 | -71.8 | -163.2 | 126.1 | 0 | 0 | 116.5 | |||||
| 1033 | E | 31.9 | Very low | 31.7 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 65% | 0.65 | 74% | 0.744 | S | S | * | * | trans | -149.6 | 100.6 | 131.5 | -152.4 | -179.8 | -158 | 0 | 0 | 112.1 | K1035 | E1033-K1035 VanDerWaalsContact CD-NZ 3.34Å; E1033-K1035 HydrophobicContact CG-CD 4.4Å; E1033-K1035 IonicContact OE1-NZ 2.66Å; E1033-K1035 PolarHBondContact OE1-NZ 2.65Å; E1033-K1035 IonicContact OE2-NZ 3.6Å | ||
| 1034 | V | 33.2 | Very low | 32.2 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | -77.9 | 131.2 | 174.3 | 174.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1035 | K | 37.3 | Very low | 32.8 | Very low | 123 Ų | 123 | 127.9 Ų | 127.9 | 54% | 0.535 | 72% | 0.724 | S | S | . | * | trans | -155.8 | 130.1 | 167.8 | -104.3 | 137.5 | -168.7 | 176.3 | 0 | 114.9 | E1033 | E1033-K1035 VanDerWaalsContact CD-NZ 3.34Å; E1033-K1035 HydrophobicContact CG-CD 4.4Å; E1033-K1035 IonicContact OE1-NZ 2.66Å; E1033-K1035 PolarHBondContact OE1-NZ 2.65Å; E1033-K1035 IonicContact OE2-NZ 3.6Å | ||
| 1036 | T | 32.1 | Very low | 33.8 | Very low | 122 Ų | 122 | 126.5 Ų | 126.5 | 75% | 0.748 | 72% | 0.719 | S | S | * | * | trans | 65.9 | 70.6 | 161.9 | 17.2 | 0 | 0 | 0 | 0 | 117.5 | S1038 | T1036-S1038 PolarHBondContact O-N 3.34Š| ||
| 1037 | A | 29.2 | Very low | 35 | Very low | 104 Ų | 104 | 123.1 Ų | 123.1 | 86% | 0.86 | 70% | 0.699 | S | S | * | * | trans | -67 | 93.1 | 153 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1038 | S | 30.2 | Very low | 37 | Very low | 107 Ų | 107 | 120.7 Ų | 120.7 | 75% | 0.748 | 68% | 0.676 | S | S | * | * | trans | -154.2 | 35.2 | 178 | -70.5 | 0 | 0 | 0 | 0 | 113.7 | T1036 | T1036-S1038 PolarHBondContact O-N 3.34Š| ||
| 1039 | S | 30.4 | Very low | 39.1 | Very low | 67 Ų | 67 | 118.9 Ų | 118.9 | 47% | 0.469 | 67% | 0.666 | S | S | . | * | trans | -153.8 | 52.3 | 170.4 | 58.3 | 0 | 0 | 0 | 0 | 113.9 | H1041 Q1042 | S1039-H1041 PolarHBondContact O-N 3.07Å; S1039-Q1042 VanDerWaalsContact CB-OE1 3.24Å; S1039-Q1042 PolarHBondContact O-N 3.04Å; S1039-Q1042 VanDerWaalsContact O-N 3.1Å; S1039-Q1042 PolarHBondContact OG-OE1 3Å; S1039-Q1042 VanDerWaalsContact OG-OE1 3.13Å | ||
| 1040 | L | 30.1 | Very low | 41.4 | Very low | 164 Ų | 164 | 114.6 Ų | 114.6 | 86% | 0.859 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | 19.3 | 175.7 | -96.5 | 163.5 | 0 | 0 | 0 | 115.6 | ||
| 1041 | H | 30.5 | Very low | 43.8 | Very low | 190 Ų | 190 | 113 Ų | 113 | 88% | 0.88 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.8 | 19 | 170.7 | -67 | -53.5 | 0 | 0 | 0 | 112.7 | S1039 | S1039-H1041 PolarHBondContact O-N 3.07Š|
| 1042 | Q | 31 | Very low | 46.2 | Very low | 132 Ų | 132 | 106 Ų | 106 | 62% | 0.617 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -114.4 | -13.6 | 176.3 | -68.1 | -170.9 | -84.1 | 0 | 0 | 115.1 | S1039 S1044 A1045 | S1039-Q1042 VanDerWaalsContact CB-OE1 3.24Å; S1039-Q1042 PolarHBondContact O-N 3.04Å; S1039-Q1042 VanDerWaalsContact O-N 3.1Å; S1039-Q1042 PolarHBondContact OG-OE1 3Å; S1039-Q1042 VanDerWaalsContact OG-OE1 3.13Å; Q1042-S1044 VanDerWaalsContact C-N 3.25Å; Q1042-S1044 PolarHBondContact O-N 3.26Å; Q1042-S1044 VanDerWaalsContact O-N 3.16Å; Q1042-A1045 PolarHBondContact O-N 2.7Å |
| 1043 | A | 29.3 | Very low | 48.7 | Very low | 71 Ų | 71 | 105 Ų | 105 | 59% | 0.587 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -64.1 | -21.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115 | A1045 | A1043-A1045 PolarHBondContact O-N 3.31Š|
| 1044 | S | 41.6 | Very low | 51.1 | Low | 95 Ų | 95 | 100.6 Ų | 100.6 | 66% | 0.664 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -71.9 | -6.7 | -179.8 | 65.6 | 0 | 0 | 0 | 0 | 114.6 | Q1042 | Q1042-S1044 VanDerWaalsContact C-N 3.25Å; Q1042-S1044 PolarHBondContact O-N 3.26Å; Q1042-S1044 VanDerWaalsContact O-N 3.16Å |
| 1045 | A | 41.9 | Very low | 53.6 | Low | 69 Ų | 69 | 94.7 Ų | 94.7 | 57% | 0.57 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -91.5 | -27.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q1042 A1043 | Q1042-A1045 PolarHBondContact O-N 2.7Å; A1043-A1045 PolarHBondContact O-N 3.31Å |
| 1046 | E | 50.2 | Low | 55.9 | Low | 156 Ų | 156 | 92.4 Ų | 92.4 | 73% | 0.729 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -26.9 | -173.7 | -65.2 | 176.7 | 157.1 | 0 | 0 | 112.2 | W1048 S1049 | E1046-W1048 PolarHBondContact O-N 2.85Å; E1046-S1049 PolarHBondContact O-N 2.74Å; E1046-S1049 PolarHBondContact O-OG 3.11Å |
| 1047 | Q | 60 | Low | 58 | Low | 97 Ų | 97 | 89.2 Ų | 89.2 | 45% | 0.453 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -26 | 176.6 | -170.3 | 179.6 | 16.8 | 0 | 0 | 113.6 | G1337 S1338 F1339 | Q1047-G1337 VanDerWaalsContact CG-O 3.25Å; Q1047-G1337 WeakPolarHBondContact CG-O 3.43Å; Q1047-G1337 PolarHBondContact NE2-O 3.4Å; Q1047-S1338 WeakPolarHBondContact O-CA 3.29Å; Q1047-F1339 PolarHBondContact O-N 3Å |
| 1048 | W | 75 | Confident | 59.7 | Low | 72 Ų | 72 | 85.8 Ų | 85.8 | 27% | 0.273 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | 27.7 | -171.8 | -67.5 | 94.5 | 0 | 0 | 0 | 112.7 | E1046 A1334 F1339 K1399 E1400 C1403 | E1046-W1048 PolarHBondContact O-N 2.85Å; W1048-A1334 HydrophobicContact CH2-CB 4.23Å; W1048-A1334 HydrophobicContact CZ3-CB 3.99Å; W1048-F1339 HydrophobicContact CE3-CB 4.44Å; W1048-K1399 HydrophobicContact CE3-CB 4.31Å; W1048-K1399 HydrophobicContact CH2-CB 4.13Å; W1048-K1399 HydrophobicContact CH2-CD 4.46Å; W1048-K1399 HydrophobicContact CZ3-CB 3.84Å; W1048-E1400 HydrophobicContact CH2-CG 4.43Å; W1048-E1400 HydrophobicContact CZ3-CG 3.86Å; W1048-C1403 PolarHBondContact O-SG 3.43Å; W1048-C1403 VanDerWaalsContact O-SG 3.37Å |
| 1049 | S | 74.1 | Confident | 60.8 | Low | 72 Ų | 72 | 85.4 Ų | 85.4 | 50% | 0.503 | 49% | 0.485 | S | S | . | . | trans | -135 | 111.4 | -179.9 | 61.6 | 0 | 0 | 0 | 0 | 113.2 | E1046 | E1046-S1049 PolarHBondContact O-N 2.74Å; E1046-S1049 PolarHBondContact O-OG 3.11Å | ||
| 1050 | C | 81.1 | Confident | 61.5 | Low | 20 Ų | 20 | 85.1 Ų | 85.1 | 14% | 0.135 | 48% | 0.483 | C | S | . | . | trans | -73.4 | 138.4 | 173.6 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | V1052 F1339 T1407 | C1050-V1052 PolarHBondContact O-N 2.84Å; C1050-F1339 WeakPolarHBondContact CA-O 3.41Å; C1050-F1339 HydrophobicContact CB-CD1 3.98Å; C1050-F1339 HydrophobicContact CB-CE1 4.26Å; C1050-F1339 WeakPolarHBondContact CB-O 3.18Å; C1050-F1339 PolarHBondContact N-O 3.05Å; C1050-T1407 HydrophobicContact CB-CG2 3.99Å | ||
| 1051 | D | 83.3 | Confident | 62.2 | Low | 100 Ų | 100 | 84 Ų | 84 | 54% | 0.535 | 48% | 0.477 | S | S | . | . | trans | -75.3 | 90 | 170.6 | -172.8 | 8.4 | 0 | 0 | 0 | 111.4 | R1053 A1054 L1055 | D1051-R1053 PolarHBondContact O-N 2.65Å; D1051-R1053 WeakPolarHBondContact OD1-CB 3.46Å; D1051-R1053 PolarHBondContact OD1-N 3.4Å; D1051-A1054 HydrophobicContact CB-CB 4.26Å; D1051-A1054 WeakPolarHBondContact O-CB 3.44Å; D1051-A1054 PolarHBondContact O-N 2.6Å; D1051-L1055 PolarHBondContact O-N 3.5Å; D1051-L1055 VanDerWaalsContact O-N 3.1Å | ||
| 1052 | V | 85.6 | Confident | 62.7 | Low | 9 Ų | 9 | 80.7 Ų | 80.7 | 6% | 0.055 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -54 | -23.6 | 173.4 | 169.5 | 0 | 0 | 0 | 0 | 113.6 | C1050 F1056 T1407 Q1410 Y1411 E1414 | C1050-V1052 PolarHBondContact O-N 2.84Å; V1052-F1056 VanDerWaalsContact O-CB 3.22Å; V1052-F1056 WeakPolarHBondContact O-CB 3.43Å; V1052-F1056 PolarHBondContact O-N 2.68Å; V1052-T1407 HydrophobicContact CG2-CG2 3.95Å; V1052-Q1410 HydrophobicContact CB-CG 4.13Å; V1052-Q1410 HydrophobicContact CG1-CG 4.14Å; V1052-Q1410 HydrophobicContact CG2-CB 4.05Å; V1052-Q1410 HydrophobicContact CG2-CG 3.91Å; V1052-Y1411 VanDerWaalsContact CG1-CA 3.46Å; V1052-E1414 HydrophobicContact CG1-CB 3.95Å |
| 1053 | R | 85.4 | Confident | 63.4 | Low | 162 Ų | 162 | 75.6 Ų | 75.6 | 61% | 0.611 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -75.8 | -37.4 | 175.1 | -68 | -162.8 | 177.6 | 106.8 | 19.5 | 113 | D1051 G1057 E1414 | D1051-R1053 PolarHBondContact O-N 2.65Å; D1051-R1053 WeakPolarHBondContact OD1-CB 3.46Å; D1051-R1053 PolarHBondContact OD1-N 3.4Å; R1053-G1057 WeakPolarHBondContact O-CA 3.09Å; R1053-G1057 PolarHBondContact O-N 2.64Å; R1053-E1414 HydrophobicContact CG-CG 4.21Å; R1053-E1414 IonicContact CZ-OE1 3.57Å; R1053-E1414 IonicContact NE-OE1 3.49Å; R1053-E1414 PolarHBondContact NE-OE1 3.04Å; R1053-E1414 IonicContact NH2-OE1 3.64Å; R1053-E1414 IonicContact NH2-OE2 2.7Å |
| 1054 | A | 82.5 | Confident | 64.5 | Low | 45 Ų | 45 | 77 Ų | 77 | 37% | 0.372 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63 | -49.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | D1051 F1056 G1057 G1058 | D1051-A1054 HydrophobicContact CB-CB 4.26Å; D1051-A1054 WeakPolarHBondContact O-CB 3.44Å; D1051-A1054 PolarHBondContact O-N 2.6Å; A1054-F1056 PolarHBondContact O-N 3.31Å; A1054-G1057 PolarHBondContact O-N 3.24Å; A1054-G1058 PolarHBondContact O-N 3.24Å |
| 1055 | L | 85.5 | Confident | 65.3 | Low | 11 Ų | 11 | 76.1 Ų | 76.1 | 6% | 0.058 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -55.8 | -52.2 | 177.7 | -158.3 | 80.3 | 0 | 0 | 0 | 112 | D1051 R1328 F1330 G1341 T1407 Y1411 | D1051-L1055 PolarHBondContact O-N 3.5Å; D1051-L1055 VanDerWaalsContact O-N 3.1Å; L1055-R1328 PolarHBondContact O-NH1 3.48Å; L1055-R1328 PolarHBondContact O-NH2 2.91Å; L1055-F1330 HydrophobicContact CD1-CB 4.44Å; L1055-F1330 HydrophobicContact CD1-CD1 3.4Å; L1055-F1330 HydrophobicContact CD1-CE1 3.78Å; L1055-F1330 HydrophobicContact CD1-CG 4.08Å; L1055-F1330 HydrophobicContact CD2-CD1 4.41Å; L1055-F1330 HydrophobicContact CG-CD1 3.74Å; L1055-F1330 HydrophobicContact CG-CE1 3.67Å; L1055-F1330 HydrophobicContact CG-CG 4.34Å; L1055-F1330 HydrophobicContact CG-CZ 4.19Å; L1055-G1341 WeakPolarHBondContact CD1-O 3.4Å; L1055-T1407 HydrophobicContact CD2-CG2 4.39Å; L1055-Y1411 HydrophobicContact CD2-CD2 3.9Å; L1055-Y1411 HydrophobicContact CD2-CE2 4.39Å; L1055-Y1411 HydrophobicContact CG-CD2 4.47Å |
| 1056 | F | 84 | Confident | 66.7 | Low | 76 Ų | 76 | 79.2 Ų | 79.2 | 33% | 0.333 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68.7 | -40.8 | 178.7 | 179.1 | -113.3 | 0 | 0 | 0 | 112.6 | V1052 A1054 G1058 R1328 Y1411 E1414 R1415 | V1052-F1056 VanDerWaalsContact O-CB 3.22Å; V1052-F1056 WeakPolarHBondContact O-CB 3.43Å; V1052-F1056 PolarHBondContact O-N 2.68Å; A1054-F1056 PolarHBondContact O-N 3.31Å; F1056-G1058 PolarHBondContact O-N 2.97Å; F1056-R1328 PolarHBondContact O-NH1 3.17Å; F1056-Y1411 HydrophobicContact CB-CD2 4.19Å; F1056-Y1411 HydrophobicContact CB-CE2 3.94Å; F1056-Y1411 AromaticContact CD2-CE2 3.94Å; F1056-Y1411 HydrophobicContact CD2-CE2 3.94Å; F1056-Y1411 HydrophobicContact CG-CE2 4.45Å; F1056-E1414 HydrophobicContact CD1-CG 4.41Å; F1056-R1415 HydrophobicContact CD2-CB 3.81Å; F1056-R1415 HydrophobicContact CD2-CG 4.11Å; F1056-R1415 HydrophobicContact CE2-CB 3.62Å; F1056-R1415 HydrophobicContact CE2-CG 3.5Å; F1056-R1415 HydrophobicContact CZ-CB 4.22Å; F1056-R1415 HydrophobicContact CZ-CG 4.16Å |
| 1057 | G | 77.3 | Confident | 68.4 | Low | 54 Ų | 54 | 72.4 Ų | 72.4 | 56% | 0.557 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -64.6 | -16.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R1053 A1054 | R1053-G1057 WeakPolarHBondContact O-CA 3.09Å; R1053-G1057 PolarHBondContact O-N 2.64Å; A1054-G1057 PolarHBondContact O-N 3.24Å |
| 1058 | G | 65.5 | Low | 69.6 | Low | 32 Ų | 32 | 72.5 Ų | 72.5 | 33% | 0.33 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 36 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1054 F1056 C1060 | A1054-G1058 PolarHBondContact O-N 3.24Å; F1056-G1058 PolarHBondContact O-N 2.97Å; G1058-C1060 VanDerWaalsContact C-N 3.26Å; G1058-C1060 PolarHBondContact O-N 3.34Å |
| 1059 | V | 52 | Low | 70.2 | Confident | 100 Ų | 100 | 69 Ų | 69 | 61% | 0.606 | 41% | 0.414 | S | S | * | . | trans | -69.7 | 90.7 | 170.1 | -178.3 | 0 | 0 | 0 | 0 | 106.9 | L1061 | V1059-L1061 HydrophobicContact CG1-CD2 4.3Å; V1059-L1061 PolarHBondContact O-N 3.39Å | ||
| 1060 | C | 46 | Very low | 70.6 | Confident | 61 Ų | 61 | 68.6 Ų | 68.6 | 41% | 0.412 | 41% | 0.406 | S | S | . | . | trans | -72.8 | 91.7 | -174 | -164.4 | 0 | 0 | 0 | 0 | 109.9 | G1058 S1062 G1063 | G1058-C1060 VanDerWaalsContact C-N 3.26Å; G1058-C1060 PolarHBondContact O-N 3.34Å; C1060-S1062 PolarHBondContact O-N 3.42Å; C1060-G1063 WeakPolarHBondContact SG-CA 3.14Å; C1060-G1063 PolarHBondContact SG-N 3.46Å | ||
| 1061 | L | 45.1 | Very low | 70.5 | Confident | 139 Ų | 139 | 69.7 Ų | 69.7 | 73% | 0.728 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -68.2 | 95.9 | 172.7 | -60.9 | 174.8 | 0 | 0 | 0 | 108.4 | V1059 G1063 | V1059-L1061 HydrophobicContact CG1-CD2 4.3Å; V1059-L1061 PolarHBondContact O-N 3.39Å; L1061-G1063 VanDerWaalsContact C-N 3.26Å; L1061-G1063 PolarHBondContact O-N 2.77Å; L1061-G1063 VanDerWaalsContact O-N 3.12Å |
| 1062 | S | 39.5 | Very low | 70.5 | Confident | 122 Ų | 122 | 65 Ų | 65 | 85% | 0.853 | 40% | 0.396 | S | S | * | . | S | Bend | trans | 64.8 | 4.5 | 175.6 | -156.3 | 0 | 0 | 0 | 0 | 118.3 | C1060 V1064 | C1060-S1062 PolarHBondContact O-N 3.42Å; S1062-V1064 VanDerWaalsContact C-N 3.34Å; S1062-V1064 PolarHBondContact O-N 3.29Å |
| 1063 | G | 46 | Very low | 70.5 | Confident | 25 Ų | 25 | 66.8 Ų | 66.8 | 26% | 0.258 | 41% | 0.405 | S | S | . | . | trans | -81.5 | 42.6 | -167 | 0 | 0 | 0 | 0 | 0 | 118.4 | C1060 L1061 V1345 | C1060-G1063 WeakPolarHBondContact SG-CA 3.14Å; C1060-G1063 PolarHBondContact SG-N 3.46Å; L1061-G1063 VanDerWaalsContact C-N 3.26Å; L1061-G1063 PolarHBondContact O-N 2.77Å; L1061-G1063 VanDerWaalsContact O-N 3.12Å; G1063-V1345 WeakPolarHBondContact O-CB 3.32Å; G1063-V1345 WeakPolarHBondContact O-CG1 3.25Å | ||
| 1064 | V | 52.1 | Low | 70.6 | Confident | 101 Ų | 101 | 59.1 Ų | 59.1 | 61% | 0.612 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -132.2 | 119.9 | 159.8 | -177.6 | 0 | 0 | 0 | 0 | 107.6 | S1062 Q1066 | S1062-V1064 VanDerWaalsContact C-N 3.34Å; S1062-V1064 PolarHBondContact O-N 3.29Å; V1064-Q1066 PolarHBondContact O-N 3.42Å |
| 1065 | S | 58.7 | Low | 70.7 | Confident | 75 Ų | 75 | 64 Ų | 64 | 52% | 0.524 | 39% | 0.385 | S | S | . | . | trans | -64.4 | 94.2 | -177.9 | -51.3 | 0 | 0 | 0 | 0 | 111.2 | V1067 | S1065-V1067 PolarHBondContact O-N 2.87Š| ||
| 1066 | Q | 72.5 | Confident | 70.9 | Confident | 135 Ų | 135 | 66.4 Ų | 66.4 | 63% | 0.631 | 39% | 0.393 | S | S | * | . | trans | -68.9 | 112.7 | 173.6 | -70.6 | 178.3 | -3.3 | 0 | 0 | 108.9 | V1064 I1068 | V1064-Q1066 PolarHBondContact O-N 3.42Å; Q1066-I1068 HydrophobicContact CB-CG1 4.24Å; Q1066-I1068 PolarHBondContact O-N 2.74Å | ||
| 1067 | V | 84.9 | Confident | 71.1 | Confident | 13 Ų | 13 | 62.8 Ų | 62.8 | 8% | 0.079 | 38% | 0.377 | C | S | . | . | trans | -87 | 99.7 | 172.8 | -179.1 | 0 | 0 | 0 | 0 | 107 | S1065 L1069 V1074 F1148 V1174 P1182 | S1065-V1067 PolarHBondContact O-N 2.87Å; V1067-L1069 HydrophobicContact CG1-CD2 3.87Å; V1067-L1069 HydrophobicContact CG1-CG 4.09Å; V1067-V1074 HydrophobicContact CB-CG2 4Å; V1067-V1074 HydrophobicContact CG1-CG2 3.94Å; V1067-V1074 WeakPolarHBondContact O-CG2 3.49Å; V1067-V1074 PolarHBondContact O-N 2.98Å; V1067-F1148 HydrophobicContact CG1-CE1 4.27Å; V1067-V1174 HydrophobicContact CG1-CG2 4.37Å; V1067-P1182 HydrophobicContact CG2-CB 3.8Å; V1067-P1182 HydrophobicContact CG2-CG 3.91Å | ||
| 1068 | I | 86.4 | Confident | 71.6 | Confident | 98 Ų | 98 | 63.3 Ų | 63.3 | 50% | 0.503 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 111.1 | 179.4 | -57.1 | 177.2 | 0 | 0 | 0 | 108.2 | Q1066 V1072 | Q1066-I1068 HydrophobicContact CB-CG1 4.24Å; Q1066-I1068 PolarHBondContact O-N 2.74Å; I1068-V1072 CarbonylContact C-O 3.56Å; I1068-V1072 WeakPolarHBondContact CA-O 3.47Å |
| 1069 | L | 87 | Confident | 72.6 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 124.4 | 174.5 | -53.1 | -175.6 | 0 | 0 | 0 | 108.4 | V1067 G1071 V1072 V1074 W1127 Y1129 A1146 A1172 V1174 | V1067-L1069 HydrophobicContact CG1-CD2 3.87Å; V1067-L1069 HydrophobicContact CG1-CG 4.09Å; L1069-G1071 PolarHBondContact O-N 2.78Å; L1069-G1071 VanDerWaalsContact O-N 3.14Å; L1069-V1072 PolarHBondContact N-O 2.8Å; L1069-V1072 WeakPolarHBondContact O-CB 3.26Å; L1069-V1072 PolarHBondContact O-N 3.18Å; L1069-V1074 HydrophobicContact CB-CG1 4.04Å; L1069-V1074 HydrophobicContact CD1-CG1 3.95Å; L1069-V1074 HydrophobicContact CD1-CG2 4.3Å; L1069-V1074 HydrophobicContact CG-CG1 3.96Å; L1069-V1074 HydrophobicContact CG-CG2 4.38Å; L1069-W1127 HydrophobicContact CD1-CE3 3.83Å; L1069-W1127 HydrophobicContact CD1-CZ3 3.57Å; L1069-Y1129 WeakPolarHBondContact CB-OH 3.42Å; L1069-Y1129 HydrophobicContact CD1-CE1 4.07Å; L1069-A1146 HydrophobicContact CD1-CB 3.78Å; L1069-A1146 HydrophobicContact CD2-CB 4.22Å; L1069-A1172 HydrophobicContact CB-CB 4.39Å; L1069-A1172 HydrophobicContact CD2-CB 3.81Å; L1069-V1174 HydrophobicContact CD2-CG2 3.7Å |
| 1070 | D | 82.5 | Confident | 74.3 | Confident | 62 Ų | 62 | 64.7 Ų | 64.7 | 33% | 0.332 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 38.9 | 178.1 | -57.8 | -16.9 | 0 | 0 | 0 | 114.2 | V1072 R1144 S1171 | D1070-V1072 VanDerWaalsContact C-N 3.31Å; D1070-V1072 PolarHBondContact O-N 2.83Å; D1070-R1144 PolarHBondContact O-NH1 2.58Å; D1070-S1171 WeakPolarHBondContact OD1-CB 3.31Å; D1070-S1171 PolarHBondContact OD1-OG 2.83Å; D1070-S1171 WeakPolarHBondContact OD2-CB 3.42Å; D1070-S1171 PolarHBondContact OD2-OG 3.2Å |
| 1071 | G | 78.5 | Confident | 76.2 | Confident | 43 Ų | 43 | 61.8 Ų | 61.8 | 44% | 0.443 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 7.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L1069 | L1069-G1071 PolarHBondContact O-N 2.78Å; L1069-G1071 VanDerWaalsContact O-N 3.14Å |
| 1072 | V | 83.2 | Confident | 77.9 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.012 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 123.5 | 178.5 | -170.8 | 0 | 0 | 0 | 0 | 109.7 | I1068 L1069 D1070 V1074 V1081 F1083 L1131 | I1068-V1072 CarbonylContact C-O 3.56Å; I1068-V1072 WeakPolarHBondContact CA-O 3.47Å; L1069-V1072 PolarHBondContact N-O 2.8Å; L1069-V1072 WeakPolarHBondContact O-CB 3.26Å; L1069-V1072 PolarHBondContact O-N 3.18Å; D1070-V1072 VanDerWaalsContact C-N 3.31Å; D1070-V1072 PolarHBondContact O-N 2.83Å; V1072-V1074 PolarHBondContact O-N 2.78Å; V1072-V1081 HydrophobicContact CG1-CB 4.06Å; V1072-V1081 HydrophobicContact CG1-CG2 3.94Å; V1072-F1083 HydrophobicContact CG2-CD1 3.54Å; V1072-F1083 HydrophobicContact CG2-CE1 3.71Å; V1072-L1131 HydrophobicContact CG2-CD1 4.42Å |
| 1073 | D | 85.7 | Confident | 79.8 | Confident | 47 Ų | 47 | 54.3 Ų | 54.3 | 25% | 0.251 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 111.1 | 164.7 | 174.7 | 12.6 | 0 | 0 | 0 | 108.2 | R1075 | D1073-R1075 HydrophobicContact CB-CG 4.41Å; D1073-R1075 WeakPolarHBondContact O-CG 3.17Å; D1073-R1075 PolarHBondContact O-N 2.76Å; D1073-R1075 WeakPolarHBondContact OD1-CA 3.28Å; D1073-R1075 PolarHBondContact OD1-N 2.7Å |
| 1074 | V | 88.4 | Confident | 81.2 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | trans | -82.2 | -2.7 | 179.4 | -55.7 | 0 | 0 | 0 | 0 | 113 | V1067 L1069 V1072 R1076 G1077 L1091 W1127 C1184 | V1067-V1074 HydrophobicContact CB-CG2 4Å; V1067-V1074 HydrophobicContact CG1-CG2 3.94Å; V1067-V1074 WeakPolarHBondContact O-CG2 3.49Å; V1067-V1074 PolarHBondContact O-N 2.98Å; L1069-V1074 HydrophobicContact CB-CG1 4.04Å; L1069-V1074 HydrophobicContact CD1-CG1 3.95Å; L1069-V1074 HydrophobicContact CD1-CG2 4.3Å; L1069-V1074 HydrophobicContact CG-CG1 3.96Å; L1069-V1074 HydrophobicContact CG-CG2 4.38Å; V1072-V1074 PolarHBondContact O-N 2.78Å; V1074-R1076 PolarHBondContact O-N 3.39Å; V1074-G1077 PolarHBondContact O-N 3.36Å; V1074-L1091 HydrophobicContact CB-CD1 3.85Å; V1074-L1091 HydrophobicContact CG1-CD1 3.81Å; V1074-W1127 HydrophobicContact CB-CH2 4.22Å; V1074-W1127 HydrophobicContact CB-CZ3 4.35Å; V1074-W1127 HydrophobicContact CG1-CH2 4.48Å; V1074-W1127 HydrophobicContact CG1-CZ3 4.38Å; V1074-W1127 HydrophobicContact CG2-CH2 4.26Å; V1074-W1127 HydrophobicContact CG2-CZ3 4.05Å; V1074-C1184 HydrophobicContact CG2-CB 4Å | ||
| 1075 | R | 84.6 | Confident | 82.4 | Confident | 147 Ų | 147 | 56.5 Ų | 56.5 | 56% | 0.555 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | -95.6 | 170.1 | -46 | 178.4 | 79.4 | -168.7 | 5.1 | 113.3 | D1073 L1080 | D1073-R1075 HydrophobicContact CB-CG 4.41Å; D1073-R1075 WeakPolarHBondContact O-CG 3.17Å; D1073-R1075 PolarHBondContact O-N 2.76Å; D1073-R1075 WeakPolarHBondContact OD1-CA 3.28Å; D1073-R1075 PolarHBondContact OD1-N 2.7Å; R1075-L1080 PolarHBondContact NH1-O 3.01Å |
| 1076 | R | 89.8 | Confident | 83.3 | Confident | 62 Ų | 62 | 54.5 Ų | 54.5 | 23% | 0.234 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | 11.1 | 179.1 | -68.7 | -170.7 | 151.9 | -107.9 | -17.3 | 113.4 | V1074 R1078 A1183 C1184 Q1187 E1219 C1348 R1349 | V1074-R1076 PolarHBondContact O-N 3.39Å; R1076-R1078 HydrophobicContact CB-CG 4.48Å; R1076-A1183 HydrophobicContact CB-CB 4.33Å; R1076-A1183 HydrophobicContact CG-CB 3.94Å; R1076-C1184 WeakPolarHBondContact O-CA 3.2Å; R1076-Q1187 WeakPolarHBondContact O-CG 2.99Å; R1076-E1219 IonicContact CZ-OE1 3.68Å; R1076-E1219 IonicContact CZ-OE2 3.54Å; R1076-E1219 IonicContact NH1-OE1 2.6Å; R1076-E1219 PolarHBondContact NH1-OE1 3.12Å; R1076-E1219 IonicContact NH1-OE2 2.66Å; R1076-E1219 PolarHBondContact NH1-OE2 3.12Å; R1076-E1219 IonicContact NH2-OE2 2.64Å; R1076-C1348 PolarHBondContact NH2-O 3.43Å; R1076-R1349 PolarHBondContact NH2-O 2.93Å |
| 1077 | G | 87.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | S | Bend | trans | 79.3 | 14.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | V1074 L1091 Q1187 | V1074-G1077 PolarHBondContact O-N 3.36Å; G1077-L1091 WeakPolarHBondContact O-CD2 3.21Å; G1077-Q1187 PolarHBondContact O-NE2 2.83Å; G1077-Q1187 PolarHBondContact O-OE1 3.15Å |
| 1078 | R | 87.9 | Confident | 83.6 | Confident | 65 Ų | 65 | 60 Ų | 60 | 25% | 0.245 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -163.7 | 171.8 | -173 | 51.6 | 165.8 | 165.4 | 150 | -8.8 | 110.2 | R1076 L1091 E1219 | R1076-R1078 HydrophobicContact CB-CG 4.48Å; R1078-L1091 WeakPolarHBondContact CA-O 3.24Å; R1078-E1219 IonicContact CZ-OE1 3.69Å; R1078-E1219 IonicContact NH2-OE1 3.37Å; R1078-E1219 PolarHBondContact NH2-OE1 3.48Å |
| 1079 | D | 85.8 | Confident | 83.6 | Confident | 94 Ų | 94 | 55.4 Ų | 55.4 | 50% | 0.503 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 61.8 | -166.7 | 178.6 | -39.7 | -48.8 | 0 | 0 | 0 | 111.2 | V1081 D1090 L1091 | D1079-V1081 PolarHBondContact O-N 3.18Å; D1079-D1090 VanDerWaalsContact C-OD1 3.31Å; D1079-D1090 WeakPolarHBondContact CA-OD1 3.32Å; D1079-L1091 PolarHBondContact O-N 3.17Å; D1079-L1091 VanDerWaalsContact O-N 3.11Å |
| 1080 | L | 87.4 | Confident | 83.7 | Confident | 67 Ų | 67 | 59 Ų | 59 | 35% | 0.351 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 117.8 | -172.7 | -156.6 | 74.6 | 0 | 0 | 0 | 113.3 | R1075 Q1088 A1089 | R1075-L1080 PolarHBondContact NH1-O 3.01Å; L1080-Q1088 HydrophobicContact CD1-CB 4.13Å; L1080-Q1088 HydrophobicContact CD2-CB 4.19Å; L1080-Q1088 HydrophobicContact CD2-CG 4.3Å; L1080-Q1088 HydrophobicContact CG-CB 4.1Å; L1080-A1089 WeakPolarHBondContact CA-O 3.17Å |
| 1081 | V | 86.4 | Confident | 84.2 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 155.3 | 171.6 | -63.3 | 0 | 0 | 0 | 0 | 111.3 | V1072 D1079 Q1088 A1089 L1091 L1131 | V1072-V1081 HydrophobicContact CG1-CB 4.06Å; V1072-V1081 HydrophobicContact CG1-CG2 3.94Å; D1079-V1081 PolarHBondContact O-N 3.18Å; V1081-Q1088 WeakPolarHBondContact O-CA 3.43Å; V1081-A1089 HydrophobicContact CG2-CB 4.46Å; V1081-A1089 WeakPolarHBondContact CG2-O 3.45Å; V1081-A1089 PolarHBondContact N-O 3.26Å; V1081-A1089 PolarHBondContact O-N 2.93Å; V1081-L1091 HydrophobicContact CG1-CB 4Å; V1081-L1091 HydrophobicContact CG1-CD1 3.75Å; V1081-L1091 HydrophobicContact CG2-CB 4.11Å; V1081-L1091 HydrophobicContact CG2-CD1 4.31Å; V1081-L1131 HydrophobicContact CG2-CD2 3.79Å |
| 1082 | T | 81.2 | Confident | 84.8 | Confident | 61 Ų | 61 | 56.5 Ų | 56.5 | 37% | 0.374 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 129.6 | -179.9 | -46.5 | 0 | 0 | 0 | 0 | 109.6 | R1087 Q1088 | T1082-R1087 CarbonylContact C-O 3.18Å; T1082-R1087 WeakPolarHBondContact CA-O 3.34Å; T1082-R1087 WeakPolarHBondContact CG2-O 3.38Å; T1082-Q1088 HydrophobicContact CG2-CG 4.39Å |
| 1083 | F | 79.8 | Confident | 85.3 | Confident | 43 Ų | 43 | 59 Ų | 59 | 19% | 0.189 | 30% | 0.302 | C | S | . | . | trans | -76.1 | 163.7 | 173.3 | -64 | -86.3 | 0 | 0 | 0 | 111.4 | V1072 D1085 G1086 R1087 A1089 L1131 | V1072-F1083 HydrophobicContact CG2-CD1 3.54Å; V1072-F1083 HydrophobicContact CG2-CE1 3.71Å; F1083-D1085 WeakPolarHBondContact CB-OD1 3.13Å; F1083-D1085 PolarHBondContact O-N 3.19Å; F1083-G1086 PolarHBondContact O-N 3.49Å; F1083-R1087 HydrophobicContact CB-CB 4.46Å; F1083-R1087 HydrophobicContact CD2-CB 3.79Å; F1083-R1087 WeakPolarHBondContact CD2-O 3.22Å; F1083-R1087 PolarHBondContact N-O 3.04Å; F1083-A1089 HydrophobicContact CE2-CB 3.52Å; F1083-A1089 HydrophobicContact CZ-CB 3.89Å; F1083-L1131 HydrophobicContact CE1-CD1 3.77Å; F1083-L1131 HydrophobicContact CZ-CB 4.34Å; F1083-L1131 HydrophobicContact CZ-CD1 3.82Å | ||
| 1084 | S | 75 | Confident | 85.7 | Confident | 110 Ų | 110 | 60 Ų | 60 | 77% | 0.769 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -16.7 | 176 | 52.6 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1085 | D | 78.1 | Confident | 86 | Confident | 62 Ų | 62 | 62.2 Ų | 62.2 | 33% | 0.332 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 7.4 | 172.4 | 79.6 | -17.4 | 0 | 0 | 0 | 113.9 | F1083 R1087 | F1083-D1085 WeakPolarHBondContact CB-OD1 3.13Å; F1083-D1085 PolarHBondContact O-N 3.19Å; D1085-R1087 VanDerWaalsContact C-N 3.33Å; D1085-R1087 PolarHBondContact O-N 2.82Å; D1085-R1087 WeakPolarHBondContact OD1-CB 3.15Å; D1085-R1087 WeakPolarHBondContact OD1-CG 3.4Å; D1085-R1087 PolarHBondContact OD1-N 3.01Å; D1085-R1087 VanDerWaalsContact OD1-N 3.16Å; D1085-R1087 IonicContact OD1-NE 2.71Å; D1085-R1087 IonicContact OD2-CZ 3.26Å; D1085-R1087 VanDerWaalsContact OD2-CZ 3.26Å; D1085-R1087 IonicContact OD2-NE 3.65Å; D1085-R1087 PolarHBondContact OD2-NE 2.9Å; D1085-R1087 IonicContact OD2-NH2 2.93Å; D1085-R1087 PolarHBondContact OD2-NH2 2.96Å |
| 1086 | G | 77 | Confident | 86.4 | Confident | 34 Ų | 34 | 56.6 Ų | 56.6 | 35% | 0.351 | 31% | 0.307 | S | S | . | . | S | Bend | trans | 84.9 | -7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | F1083 | F1083-G1086 PolarHBondContact O-N 3.49Š|
| 1087 | R | 79.9 | Confident | 86.7 | Confident | 169 Ų | 169 | 57.3 Ų | 57.3 | 64% | 0.638 | 31% | 0.312 | S | S | * | . | trans | -63.2 | 159 | 172.7 | -72.3 | -173.6 | -124.1 | -146.6 | -4.9 | 111.7 | T1082 F1083 D1085 | T1082-R1087 CarbonylContact C-O 3.18Å; T1082-R1087 WeakPolarHBondContact CA-O 3.34Å; T1082-R1087 WeakPolarHBondContact CG2-O 3.38Å; F1083-R1087 HydrophobicContact CB-CB 4.46Å; F1083-R1087 HydrophobicContact CD2-CB 3.79Å; F1083-R1087 WeakPolarHBondContact CD2-O 3.22Å; F1083-R1087 PolarHBondContact N-O 3.04Å; D1085-R1087 VanDerWaalsContact C-N 3.33Å; D1085-R1087 PolarHBondContact O-N 2.82Å; D1085-R1087 WeakPolarHBondContact OD1-CB 3.15Å; D1085-R1087 WeakPolarHBondContact OD1-CG 3.4Å; D1085-R1087 PolarHBondContact OD1-N 3.01Å; D1085-R1087 VanDerWaalsContact OD1-N 3.16Å; D1085-R1087 IonicContact OD1-NE 2.71Å; D1085-R1087 IonicContact OD2-CZ 3.26Å; D1085-R1087 VanDerWaalsContact OD2-CZ 3.26Å; D1085-R1087 IonicContact OD2-NE 3.65Å; D1085-R1087 PolarHBondContact OD2-NE 2.9Å; D1085-R1087 IonicContact OD2-NH2 2.93Å; D1085-R1087 PolarHBondContact OD2-NH2 2.96Å | ||
| 1088 | Q | 83.7 | Confident | 87 | Confident | 95 Ų | 95 | 57.6 Ų | 57.6 | 44% | 0.444 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 138.6 | 177.6 | -67.6 | 173.3 | -6.4 | 0 | 0 | 110.8 | L1080 V1081 T1082 S1134 | L1080-Q1088 HydrophobicContact CD1-CB 4.13Å; L1080-Q1088 HydrophobicContact CD2-CB 4.19Å; L1080-Q1088 HydrophobicContact CD2-CG 4.3Å; L1080-Q1088 HydrophobicContact CG-CB 4.1Å; V1081-Q1088 WeakPolarHBondContact O-CA 3.43Å; T1082-Q1088 HydrophobicContact CG2-CG 4.39Å; Q1088-S1134 PolarHBondContact O-N 2.99Å |
| 1089 | A | 86.6 | Confident | 87.2 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 150 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | L1080 V1081 F1083 L1131 T1132 | L1080-A1089 WeakPolarHBondContact CA-O 3.17Å; V1081-A1089 HydrophobicContact CG2-CB 4.46Å; V1081-A1089 WeakPolarHBondContact CG2-O 3.45Å; V1081-A1089 PolarHBondContact N-O 3.26Å; V1081-A1089 PolarHBondContact O-N 2.93Å; F1083-A1089 HydrophobicContact CE2-CB 3.52Å; F1083-A1089 HydrophobicContact CZ-CB 3.89Å; A1089-L1131 HydrophobicContact CB-CB 4.12Å; A1089-L1131 HydrophobicContact CB-CD2 4.49Å; A1089-T1132 CarbonylContact C-O 3.52Å; A1089-T1132 WeakPolarHBondContact CA-O 3.26Å; A1089-T1132 WeakPolarHBondContact CB-O 3.31Å |
| 1090 | D | 89 | Confident | 87.5 | Confident | 76 Ų | 76 | 53.2 Ų | 53.2 | 41% | 0.406 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 134.9 | 165.9 | -168 | 41 | 0 | 0 | 0 | 109 | D1079 T1132 | D1079-D1090 VanDerWaalsContact C-OD1 3.31Å; D1079-D1090 WeakPolarHBondContact CA-OD1 3.32Å; D1090-T1132 PolarHBondContact N-O 3.36Å; D1090-T1132 PolarHBondContact O-N 2.84Å; D1090-T1132 VanDerWaalsContact O-N 3.13Å; D1090-T1132 PolarHBondContact O-OG1 3.11Å |
| 1091 | L | 91.9 | Very high | 87.6 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 115.8 | -177.7 | -166 | 167.1 | 0 | 0 | 0 | 109.6 | V1074 G1077 R1078 D1079 V1081 W1127 Y1129 L1131 | V1074-L1091 HydrophobicContact CB-CD1 3.85Å; V1074-L1091 HydrophobicContact CG1-CD1 3.81Å; G1077-L1091 WeakPolarHBondContact O-CD2 3.21Å; R1078-L1091 WeakPolarHBondContact CA-O 3.24Å; D1079-L1091 PolarHBondContact O-N 3.17Å; D1079-L1091 VanDerWaalsContact O-N 3.11Å; V1081-L1091 HydrophobicContact CG1-CB 4Å; V1081-L1091 HydrophobicContact CG1-CD1 3.75Å; V1081-L1091 HydrophobicContact CG2-CB 4.11Å; V1081-L1091 HydrophobicContact CG2-CD1 4.31Å; L1091-W1127 HydrophobicContact CD1-CH2 4.3Å; L1091-W1127 HydrophobicContact CD2-CH2 3.86Å; L1091-W1127 HydrophobicContact CD2-CZ2 3.6Å; L1091-Y1129 HydrophobicContact CD1-CD2 4.22Å; L1091-Y1129 HydrophobicContact CD1-CE2 4.49Å; L1091-Y1129 HydrophobicContact CD2-CD2 4.2Å; L1091-Y1129 HydrophobicContact CD2-CG 4.42Å; L1091-Y1129 HydrophobicContact CG-CD2 4.05Å; L1091-L1131 HydrophobicContact CB-CD2 3.89Å; L1091-L1131 HydrophobicContact CD1-CD2 3.95Å; L1091-L1131 HydrophobicContact CG-CD2 3.67Å |
| 1092 | S | 91.5 | Very high | 87.4 | Confident | 48 Ų | 48 | 52.8 Ų | 52.8 | 34% | 0.336 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 144.7 | 176.7 | 61.1 | 0 | 0 | 0 | 0 | 112 | Y1129 S1130 | S1092-Y1129 CarbonylContact O-C 3.49Å; S1092-Y1129 VanDerWaalsContact O-CA 3.24Å; S1092-Y1129 WeakPolarHBondContact O-CA 3.41Å; S1092-Y1129 WeakPolarHBondContact O-CB 2.99Å; S1092-S1130 PolarHBondContact N-O 2.89Å; S1092-S1130 VanDerWaalsContact N-O 3.09Å; S1092-S1130 PolarHBondContact O-N 2.83Å; S1092-S1130 PolarHBondContact OG-OG 2.85Å |
| 1093 | T | 94 | Very high | 87.2 | Confident | 56 Ų | 56 | 58.8 Ų | 58.8 | 34% | 0.344 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 124.6 | 174.3 | -65.5 | 0 | 0 | 0 | 0 | 110 | V1096 W1127 | T1093-V1096 HydrophobicContact CG2-CG2 3.84Å; T1093-W1127 PolarHBondContact OG1-NE1 2.95Å |
| 1094 | V | 93.6 | Very high | 86.7 | Confident | 67 Ų | 67 | 60.9 Ų | 60.9 | 41% | 0.406 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | -47.9 | 179.2 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | T1128 E1143 | V1094-T1128 HydrophobicContact CB-CG2 4.14Å; V1094-T1128 HydrophobicContact CG1-CG2 4.41Å; V1094-T1128 PolarHBondContact N-O 3.21Å; V1094-E1143 HydrophobicContact CG2-CG 4.46Å |
| 1095 | S | 94.1 | Very high | 86.8 | Confident | 47 Ų | 47 | 57.3 Ų | 57.3 | 33% | 0.329 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 159.5 | 174 | 74.3 | 0 | 0 | 0 | 0 | 112.8 | T1128 | S1095-T1128 PolarHBondContact N-O 2.96Å; S1095-T1128 PolarHBondContact O-N 3.16Å |
| 1096 | V | 94.9 | Very high | 87.1 | Confident | 29 Ų | 29 | 56 Ų | 56 | 18% | 0.176 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 128.9 | 171.7 | -174 | 0 | 0 | 0 | 0 | 107.7 | T1093 L1114 I1125 R1126 L1188 | T1093-V1096 HydrophobicContact CG2-CG2 3.84Å; V1096-L1114 HydrophobicContact CB-CD1 4.49Å; V1096-L1114 HydrophobicContact CG1-CD1 4.02Å; V1096-I1125 HydrophobicContact CG1-CG2 3.66Å; V1096-R1126 WeakPolarHBondContact CA-O 3.39Å; V1096-L1188 HydrophobicContact CG1-CB 4.43Å; V1096-L1188 HydrophobicContact CG2-CB 4.12Å; V1096-L1188 HydrophobicContact CG2-CD2 4.12Å |
| 1097 | K | 94.2 | Very high | 87.7 | Confident | 76 Ų | 76 | 58.2 Ų | 58.2 | 33% | 0.33 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 149.8 | 173.3 | -79.5 | 172.5 | 161.5 | -90.2 | 0 | 109.4 | W1099 E1108 I1125 R1126 | K1097-W1099 HydrophobicContact CB-CE3 4.41Å; K1097-W1099 HydrophobicContact CB-CH2 3.34Å; K1097-W1099 HydrophobicContact CB-CZ2 4.07Å; K1097-W1099 HydrophobicContact CB-CZ3 3.52Å; K1097-W1099 HydrophobicContact CD-CH2 3.84Å; K1097-W1099 HydrophobicContact CD-CZ2 4.11Å; K1097-W1099 HydrophobicContact CG-CH2 4.22Å; K1097-E1108 IonicContact NZ-OE1 3.5Å; K1097-E1108 PolarHBondContact NZ-OE1 3.01Å; K1097-E1108 IonicContact NZ-OE2 3.78Å; K1097-E1108 PolarHBondContact NZ-OE2 2.96Å; K1097-I1125 CarbonylContact O-C 3.57Å; K1097-I1125 VanDerWaalsContact O-CA 3.32Å; K1097-I1125 WeakPolarHBondContact O-CA 3.47Å; K1097-R1126 PolarHBondContact N-O 2.79Å; K1097-R1126 PolarHBondContact O-N 3.2Å |
| 1098 | V | 94.5 | Very high | 88.3 | Confident | 7 Ų | 7 | 55.3 Ų | 55.3 | 4% | 0.042 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 139.7 | -177.4 | -178.3 | 0 | 0 | 0 | 0 | 109.7 | V1109 L1114 Y1123 A1124 I1125 | V1098-V1109 HydrophobicContact CB-CB 4.1Å; V1098-V1109 HydrophobicContact CB-CG2 4.46Å; V1098-V1109 HydrophobicContact CG1-CB 4.11Å; V1098-V1109 HydrophobicContact CG1-CG2 3.97Å; V1098-V1109 PolarHBondContact O-N 3.44Å; V1098-L1114 HydrophobicContact CG2-CD1 3.6Å; V1098-Y1123 HydrophobicContact CG1-CD1 4Å; V1098-A1124 CarbonylContact C-O 3.6Å; V1098-A1124 WeakPolarHBondContact CA-O 3.28Å; V1098-I1125 HydrophobicContact CG1-CG1 4.27Å; V1098-I1125 HydrophobicContact CG2-CB 4.49Å; V1098-I1125 HydrophobicContact CG2-CG1 4.01Å; V1098-I1125 HydrophobicContact CG2-CG2 4.18Å |
| 1099 | W | 92.9 | Very high | 88.6 | Confident | 22 Ų | 22 | 52.3 Ų | 52.3 | 8% | 0.083 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 138 | 171.1 | -61.7 | -105 | 0 | 0 | 0 | 109.6 | K1097 I1101 D1106 C1107 E1108 Y1123 A1124 R1126 L1166 | K1097-W1099 HydrophobicContact CB-CE3 4.41Å; K1097-W1099 HydrophobicContact CB-CH2 3.34Å; K1097-W1099 HydrophobicContact CB-CZ2 4.07Å; K1097-W1099 HydrophobicContact CB-CZ3 3.52Å; K1097-W1099 HydrophobicContact CD-CH2 3.84Å; K1097-W1099 HydrophobicContact CD-CZ2 4.11Å; K1097-W1099 HydrophobicContact CG-CH2 4.22Å; W1099-I1101 HydrophobicContact CB-CD1 4.32Å; W1099-D1106 HydrophobicContact CB-CB 4.41Å; W1099-C1107 CarbonylContact C-O 3.52Å; W1099-C1107 WeakPolarHBondContact CA-O 3.31Å; W1099-E1108 VanDerWaalsContact CD1-CA 3.44Å; W1099-E1108 HydrophobicContact CG-CB 4.44Å; W1099-Y1123 CarbonylContact O-C 3.59Å; W1099-Y1123 WeakPolarHBondContact O-CA 3.36Å; W1099-A1124 PolarHBondContact N-O 3.01Å; W1099-A1124 PolarHBondContact O-N 3.36Å; W1099-R1126 HydrophobicContact CH2-CB 3.82Å; W1099-R1126 HydrophobicContact CZ3-CB 3.47Å; W1099-R1126 VanDerWaalsContact CZ3-CB 3.47Å; W1099-L1166 HydrophobicContact CB-CD2 4.17Å; W1099-L1166 HydrophobicContact CD2-CD1 3.99Å; W1099-L1166 HydrophobicContact CD2-CD2 3.96Å; W1099-L1166 HydrophobicContact CD2-CG 4.2Å; W1099-L1166 HydrophobicContact CE3-CD2 4.03Å; W1099-L1166 HydrophobicContact CE3-CG 4.27Å; W1099-L1166 HydrophobicContact CG-CD1 4.21Å; W1099-L1166 HydrophobicContact CG-CD2 4.03Å; W1099-L1166 HydrophobicContact CZ2-CD1 4.22Å |
| 1100 | L | 91.9 | Very high | 88.8 | Confident | 45 Ų | 45 | 54.6 Ų | 54.6 | 24% | 0.236 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 124 | 164.5 | 173.5 | 63 | 0 | 0 | 0 | 107.8 | C1107 V1109 N1121 Y1123 | L1100-C1107 PolarHBondContact N-O 3.49Å; L1100-C1107 PolarHBondContact O-N 2.83Å; L1100-V1109 HydrophobicContact CB-CG2 4.17Å; L1100-N1121 HydrophobicContact CD1-CB 3.74Å; L1100-Y1123 HydrophobicContact CB-CD1 4.31Å; L1100-Y1123 HydrophobicContact CB-CE1 4.26Å; L1100-Y1123 HydrophobicContact CD1-CD1 4.25Å; L1100-Y1123 HydrophobicContact CD1-CE1 3.91Å |
| 1101 | I | 89.4 | Confident | 88.7 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.015 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 138.9 | 177.4 | -48.1 | -54.5 | 0 | 0 | 0 | 108.3 | W1099 D1106 T1122 A1124 I1157 L1162 L1166 | W1099-I1101 HydrophobicContact CB-CD1 4.32Å; I1101-D1106 HydrophobicContact CD1-CB 4.21Å; I1101-D1106 VanDerWaalsContact CD1-OD1 3.3Å; I1101-D1106 WeakPolarHBondContact CD1-OD1 3.37Å; I1101-T1122 HydrophobicContact CB-CG2 4.39Å; I1101-T1122 WeakPolarHBondContact CB-O 3.37Å; I1101-T1122 HydrophobicContact CG1-CG2 4.37Å; I1101-T1122 PolarHBondContact N-O 3.46Å; I1101-A1124 HydrophobicContact CD1-CB 3.82Å; I1101-A1124 HydrophobicContact CG1-CB 4.34Å; I1101-I1157 HydrophobicContact CG2-CG2 4.09Å; I1101-I1157 VanDerWaalsContact O-CD1 3.24Å; I1101-I1157 WeakPolarHBondContact O-CD1 3.42Å; I1101-L1162 HydrophobicContact CD1-CD2 3.47Å; I1101-L1162 VanDerWaalsContact CD1-CD2 3.47Å; I1101-L1162 HydrophobicContact CG1-CD2 3.79Å; I1101-L1162 HydrophobicContact CG2-CD2 4.35Å; I1101-L1166 HydrophobicContact CD1-CD2 4.3Å |
| 1102 | S | 83.1 | Confident | 88.3 | Confident | 54 Ų | 54 | 62 Ų | 62 | 38% | 0.378 | 38% | 0.378 | S | S | . | . | trans | -150.2 | 157.9 | -179 | -71.3 | 0 | 0 | 0 | 0 | 110.6 | G1104 G1105 | S1102-G1104 PolarHBondContact O-N 2.91Å; S1102-G1105 PolarHBondContact N-O 2.93Å; S1102-G1105 PolarHBondContact O-N 3.31Å | ||
| 1103 | E | 76 | Confident | 88.2 | Confident | 187 Ų | 187 | 60.3 Ų | 60.3 | 87% | 0.874 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -19.7 | -177.1 | -63 | 174.7 | -178.5 | 0 | 0 | 113.7 | ||
| 1104 | G | 68.7 | Low | 88.1 | Confident | 87 Ų | 87 | 60.7 Ų | 60.7 | 90% | 0.897 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | 4.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | S1102 | S1102-G1104 PolarHBondContact O-N 2.91Š|
| 1105 | G | 78.3 | Confident | 88 | Confident | 36 Ų | 36 | 57.5 Ų | 57.5 | 37% | 0.371 | 35% | 0.347 | S | S | . | . | trans | 123.2 | -178.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | S1102 | S1102-G1105 PolarHBondContact N-O 2.93Å; S1102-G1105 PolarHBondContact O-N 3.31Å | ||
| 1106 | D | 84.8 | Confident | 88 | Confident | 35 Ų | 35 | 55.7 Ų | 55.7 | 19% | 0.187 | 33% | 0.333 | C | S | . | . | trans | -96.8 | 126.3 | -170.9 | -54.4 | -22.6 | 0 | 0 | 0 | 112 | W1099 I1101 S1163 | W1099-D1106 HydrophobicContact CB-CB 4.41Å; I1101-D1106 HydrophobicContact CD1-CB 4.21Å; I1101-D1106 VanDerWaalsContact CD1-OD1 3.3Å; I1101-D1106 WeakPolarHBondContact CD1-OD1 3.37Å; D1106-S1163 WeakPolarHBondContact OD2-CB 3.25Å; D1106-S1163 PolarHBondContact OD2-N 2.92Å; D1106-S1163 PolarHBondContact OD2-OG 3.34Å | ||
| 1107 | C | 88.5 | Confident | 88 | Confident | 80 Ų | 80 | 54.3 Ų | 54.3 | 54% | 0.541 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 118.5 | 178.1 | -75 | 0 | 0 | 0 | 0 | 111.3 | W1099 L1100 V1109 | W1099-C1107 CarbonylContact C-O 3.52Å; W1099-C1107 WeakPolarHBondContact CA-O 3.31Å; L1100-C1107 PolarHBondContact N-O 3.49Å; L1100-C1107 PolarHBondContact O-N 2.83Å; C1107-V1109 PolarHBondContact O-N 3.37Å |
| 1108 | E | 92.2 | Very high | 87.9 | Confident | 107 Ų | 107 | 51.8 Ų | 51.8 | 50% | 0.5 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 127.7 | 175.7 | -166 | 170.1 | 179 | 0 | 0 | 110.8 | K1097 W1099 | K1097-E1108 IonicContact NZ-OE1 3.5Å; K1097-E1108 PolarHBondContact NZ-OE1 3.01Å; K1097-E1108 IonicContact NZ-OE2 3.78Å; K1097-E1108 PolarHBondContact NZ-OE2 2.96Å; W1099-E1108 VanDerWaalsContact CD1-CA 3.44Å; W1099-E1108 HydrophobicContact CG-CB 4.44Å |
| 1109 | V | 91.4 | Very high | 87.8 | Confident | 33 Ų | 33 | 51.9 Ų | 51.9 | 20% | 0.2 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -82.8 | 140.3 | -177.3 | 174.6 | 0 | 0 | 0 | 0 | 109.7 | V1098 L1100 C1107 Y1123 | V1098-V1109 HydrophobicContact CB-CB 4.1Å; V1098-V1109 HydrophobicContact CB-CG2 4.46Å; V1098-V1109 HydrophobicContact CG1-CB 4.11Å; V1098-V1109 HydrophobicContact CG1-CG2 3.97Å; V1098-V1109 PolarHBondContact O-N 3.44Å; L1100-V1109 HydrophobicContact CB-CG2 4.17Å; C1107-V1109 PolarHBondContact O-N 3.37Å; V1109-Y1123 HydrophobicContact CG2-CD1 4.45Å; V1109-Y1123 HydrophobicContact CG2-CE1 4.47Å |
| 1110 | A | 89.4 | Confident | 87.6 | Confident | 48 Ų | 48 | 52 Ų | 52 | 40% | 0.397 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 144 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1112 S1113 | A1110-E1112 PolarHBondContact O-N 3.03Å; A1110-S1113 CarbonylContact O-C 3.57Å; A1110-S1113 WeakPolarHBondContact O-CA 3.27Å; A1110-S1113 WeakPolarHBondContact O-CB 3.27Å; A1110-S1113 PolarHBondContact O-N 3.03Å |
| 1111 | P | 86.9 | Confident | 87.5 | Confident | 112 Ų | 112 | 52.5 Ų | 52.5 | 73% | 0.727 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -57.8 | -30.1 | 179.8 | -26.6 | 35.7 | 0 | 0 | 0 | 114.5 | S1113 L1114 | P1111-S1113 PolarHBondContact O-N 3.18Å; P1111-L1114 VanDerWaalsContact O-CB 3.28Å; P1111-L1114 WeakPolarHBondContact O-CB 3.29Å; P1111-L1114 PolarHBondContact O-N 2.86Å |
| 1112 | E | 84.7 | Confident | 87.7 | Confident | 123 Ų | 123 | 52.4 Ų | 52.4 | 58% | 0.575 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -67.3 | -25.6 | 174.8 | -59 | 80.2 | -178.2 | 0 | 0 | 112.5 | A1110 | A1110-E1112 PolarHBondContact O-N 3.03Š|
| 1113 | S | 88.4 | Confident | 88.2 | Confident | 12 Ų | 12 | 50.6 Ų | 50.6 | 8% | 0.084 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -94.7 | 14.6 | 177.5 | -61.5 | 0 | 0 | 0 | 0 | 112.8 | A1110 P1111 G1115 Q1116 E1278 | A1110-S1113 CarbonylContact O-C 3.57Å; A1110-S1113 WeakPolarHBondContact O-CA 3.27Å; A1110-S1113 WeakPolarHBondContact O-CB 3.27Å; A1110-S1113 PolarHBondContact O-N 3.03Å; P1111-S1113 PolarHBondContact O-N 3.18Å; S1113-G1115 PolarHBondContact O-N 3.38Å; S1113-Q1116 VanDerWaalsContact O-CB 3.27Å; S1113-Q1116 WeakPolarHBondContact O-CB 3.09Å; S1113-Q1116 WeakPolarHBondContact O-CG 3.37Å; S1113-Q1116 PolarHBondContact O-N 3.3Å; S1113-Q1116 VanDerWaalsContact O-N 3.09Å; S1113-E1278 WeakPolarHBondContact CB-OE1 3.41Å; S1113-E1278 PolarHBondContact OG-OE1 3.19Å |
| 1114 | L | 91.6 | Very high | 89 | Confident | 64 Ų | 64 | 41.7 Ų | 41.7 | 34% | 0.335 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 124.2 | 176.9 | -177.7 | 61 | 0 | 0 | 0 | 111.1 | V1096 V1098 P1111 Q1116 F1189 | V1096-L1114 HydrophobicContact CB-CD1 4.49Å; V1096-L1114 HydrophobicContact CG1-CD1 4.02Å; V1098-L1114 HydrophobicContact CG2-CD1 3.6Å; P1111-L1114 VanDerWaalsContact O-CB 3.28Å; P1111-L1114 WeakPolarHBondContact O-CB 3.29Å; P1111-L1114 PolarHBondContact O-N 2.86Å; L1114-Q1116 VanDerWaalsContact C-N 3.31Å; L1114-Q1116 PolarHBondContact O-NE2 2.83Å; L1114-F1189 HydrophobicContact CD1-CD1 4.19Å; L1114-F1189 HydrophobicContact CD1-CE1 4.03Å; L1114-F1189 HydrophobicContact CG-CD1 4.17Å; L1114-F1189 HydrophobicContact CG-CE1 4.5Å |
| 1115 | G | 92.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 10.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | S1113 F1189 M1193 V1194 | S1113-G1115 PolarHBondContact O-N 3.38Å; G1115-F1189 VanDerWaalsContact CA-CE1 3.47Å; G1115-M1193 WeakPolarHBondContact O-CA 3.49Å; G1115-V1194 PolarHBondContact O-N 3.25Å |
| 1116 | Q | 94.2 | Very high | 91 | Very high | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.037 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 93.4 | 178.3 | -54.3 | -46 | -64.4 | 0 | 0 | 109.5 | S1113 L1114 G1192 Y1196 P1276 E1278 | S1113-Q1116 VanDerWaalsContact O-CB 3.27Å; S1113-Q1116 WeakPolarHBondContact O-CB 3.09Å; S1113-Q1116 WeakPolarHBondContact O-CG 3.37Å; S1113-Q1116 PolarHBondContact O-N 3.3Å; S1113-Q1116 VanDerWaalsContact O-N 3.09Å; L1114-Q1116 VanDerWaalsContact C-N 3.31Å; L1114-Q1116 PolarHBondContact O-NE2 2.83Å; Q1116-G1192 PolarHBondContact NE2-O 3.12Å; Q1116-G1192 VanDerWaalsContact NE2-O 3.09Å; Q1116-Y1196 HydrophobicContact CB-CE2 4.05Å; Q1116-Y1196 PolarHBondContact OE1-OH 3.36Å; Q1116-P1276 HydrophobicContact CG-CB 3.78Å; Q1116-E1278 HydrophobicContact CB-CG 4.15Å |
| 1117 | L | 94.7 | Very high | 91.5 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 154.1 | -171 | -53.1 | -179.5 | 0 | 0 | 0 | 111.2 | Y1123 W1150 F1185 M1193 V1194 Y1196 | L1117-Y1123 HydrophobicContact CB-CE2 4.19Å; L1117-Y1123 HydrophobicContact CD2-CD1 4.04Å; L1117-Y1123 HydrophobicContact CD2-CD2 3.84Å; L1117-Y1123 HydrophobicContact CD2-CE1 4.23Å; L1117-Y1123 HydrophobicContact CD2-CE2 4.04Å; L1117-Y1123 HydrophobicContact CD2-CG 3.83Å; L1117-W1150 HydrophobicContact CB-CE3 4.39Å; L1117-W1150 HydrophobicContact CB-CH2 4.05Å; L1117-W1150 HydrophobicContact CB-CZ2 4.41Å; L1117-W1150 HydrophobicContact CB-CZ3 4.03Å; L1117-W1150 HydrophobicContact CD1-CD2 3.78Å; L1117-W1150 HydrophobicContact CD1-CE3 4.15Å; L1117-W1150 HydrophobicContact CD1-CG 4.1Å; L1117-W1150 HydrophobicContact CD1-CZ2 4.22Å; L1117-F1185 HydrophobicContact CD1-CZ 4.43Å; L1117-M1193 HydrophobicContact CD1-CE 4.18Å; L1117-V1194 PolarHBondContact N-O 2.94Å; L1117-Y1196 WeakPolarHBondContact O-CD2 3.43Å; L1117-Y1196 PolarHBondContact O-N 3.31Å |
| 1118 | N | 92.1 | Very high | 91.7 | Very high | 22 Ų | 22 | 33 Ų | 33 | 12% | 0.118 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 137.7 | 177.6 | -170.8 | -83.2 | 0 | 0 | 0 | 111.5 | G1120 N1121 Y1123 W1150 R1197 | N1118-G1120 PolarHBondContact O-N 3.06Å; N1118-G1120 VanDerWaalsContact O-N 3.13Å; N1118-G1120 PolarHBondContact OD1-N 3.43Å; N1118-N1121 HydrophobicContact CB-CB 4.36Å; N1118-N1121 PolarHBondContact O-N 3.19Å; N1118-Y1123 PolarHBondContact N-OH 2.62Å; N1118-W1150 WeakPolarHBondContact O-CZ3 3.44Å; N1118-R1197 PolarHBondContact ND2-O 3.01Å |
| 1119 | E | 91.5 | Very high | 91.8 | Very high | 10 Ų | 10 | 27.9 Ų | 27.9 | 5% | 0.047 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -23.3 | -177.9 | 68.5 | 174.3 | -177.6 | 0 | 0 | 114.5 | G1152 R1153 H1154 S1155 E1178 Y1196 R1197 Q1198 | E1119-G1152 CarbonylContact O-C 3.52Å; E1119-G1152 WeakPolarHBondContact O-CA 3.16Å; E1119-R1153 HydrophobicContact CB-CG 4.2Å; E1119-R1153 PolarHBondContact O-N 2.9Å; E1119-R1153 IonicContact OE2-NH1 2.74Å; E1119-H1154 CarbonylContact O-C 3.54Å; E1119-H1154 WeakPolarHBondContact O-CA 3.46Å; E1119-H1154 PolarHBondContact O-N 2.87Å; E1119-H1154 IonicContact OE1-CE1 3.49Å; E1119-H1154 IonicContact OE1-ND1 3.28Å; E1119-H1154 PolarHBondContact OE1-ND1 2.84Å; E1119-H1154 IonicContact OE2-CE1 2.67Å; E1119-H1154 PolarHBondContact OE2-CE1 3.42Å; E1119-H1154 IonicContact OE2-ND1 3.39Å; E1119-H1154 PolarHBondContact OE2-ND1 2.84Å; E1119-S1155 PolarHBondContact O-N 2.94Å; E1119-E1178 WeakPolarHBondContact CB-OE2 3.47Å; E1119-Y1196 PolarHBondContact N-O 3.09Å; E1119-R1197 WeakPolarHBondContact OE1-CA 3.36Å; E1119-R1197 WeakPolarHBondContact OE1-CG 3.41Å; E1119-Q1198 WeakPolarHBondContact OE1-CG 3.25Å; E1119-Q1198 PolarHBondContact OE1-N 3.23Å |
| 1120 | G | 89 | Confident | 91.8 | Very high | 23 Ų | 23 | 26.8 Ų | 26.8 | 24% | 0.237 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -11.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | N1118 S1155 | N1118-G1120 PolarHBondContact O-N 3.06Å; N1118-G1120 VanDerWaalsContact O-N 3.13Å; N1118-G1120 PolarHBondContact OD1-N 3.43Å; G1120-S1155 WeakPolarHBondContact O-CA 3.1Å; G1120-S1155 WeakPolarHBondContact O-CB 3.42Å; G1120-S1155 PolarHBondContact O-OG 2.91Å |
| 1121 | N | 91.3 | Very high | 91.8 | Very high | 56 Ų | 56 | 24.9 Ų | 24.9 | 30% | 0.299 | 14% | 0.138 | S | C | . | . | trans | -111.1 | 158.8 | -167.3 | -72.8 | -11.5 | 0 | 0 | 0 | 112.8 | L1100 N1118 Y1123 G1152 S1155 | L1100-N1121 HydrophobicContact CD1-CB 3.74Å; N1118-N1121 HydrophobicContact CB-CB 4.36Å; N1118-N1121 PolarHBondContact O-N 3.19Å; N1121-Y1123 HydrophobicContact CB-CD2 4.12Å; N1121-Y1123 HydrophobicContact CB-CE2 3.35Å; N1121-Y1123 PolarHBondContact ND2-OH 3.38Å; N1121-G1152 PolarHBondContact O-N 3.13Å; N1121-S1155 WeakPolarHBondContact CA-OG 3.43Å | ||
| 1122 | T | 93 | Very high | 91.9 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 135.6 | 169.7 | -64.7 | 0 | 0 | 0 | 0 | 108.4 | I1101 I1149 W1150 S1155 I1157 | I1101-T1122 HydrophobicContact CB-CG2 4.39Å; I1101-T1122 WeakPolarHBondContact CB-O 3.37Å; I1101-T1122 HydrophobicContact CG1-CG2 4.37Å; I1101-T1122 PolarHBondContact N-O 3.46Å; T1122-I1149 HydrophobicContact CG2-CG2 4.24Å; T1122-W1150 WeakPolarHBondContact CA-O 3.44Å; T1122-S1155 PolarHBondContact N-OG 3.35Å; T1122-S1155 WeakPolarHBondContact OG1-CB 3.44Å; T1122-S1155 PolarHBondContact OG1-OG 3.09Å; T1122-I1157 HydrophobicContact CG2-CG2 4.35Å |
| 1123 | Y | 94 | Very high | 91.7 | Very high | 16 Ų | 16 | 18.6 Ų | 18.6 | 6% | 0.063 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 142.7 | -176.6 | -61 | -101.1 | 0 | 0 | 0 | 110.4 | V1098 W1099 L1100 V1109 L1117 N1118 N1121 I1149 W1150 | V1098-Y1123 HydrophobicContact CG1-CD1 4Å; W1099-Y1123 CarbonylContact O-C 3.59Å; W1099-Y1123 WeakPolarHBondContact O-CA 3.36Å; L1100-Y1123 HydrophobicContact CB-CD1 4.31Å; L1100-Y1123 HydrophobicContact CB-CE1 4.26Å; L1100-Y1123 HydrophobicContact CD1-CD1 4.25Å; L1100-Y1123 HydrophobicContact CD1-CE1 3.91Å; V1109-Y1123 HydrophobicContact CG2-CD1 4.45Å; V1109-Y1123 HydrophobicContact CG2-CE1 4.47Å; L1117-Y1123 HydrophobicContact CB-CE2 4.19Å; L1117-Y1123 HydrophobicContact CD2-CD1 4.04Å; L1117-Y1123 HydrophobicContact CD2-CD2 3.84Å; L1117-Y1123 HydrophobicContact CD2-CE1 4.23Å; L1117-Y1123 HydrophobicContact CD2-CE2 4.04Å; L1117-Y1123 HydrophobicContact CD2-CG 3.83Å; N1118-Y1123 PolarHBondContact N-OH 2.62Å; N1121-Y1123 HydrophobicContact CB-CD2 4.12Å; N1121-Y1123 HydrophobicContact CB-CE2 3.35Å; N1121-Y1123 PolarHBondContact ND2-OH 3.38Å; Y1123-I1149 CarbonylContact O-C 3.47Å; Y1123-W1150 AromaticContact CD2-CE3 3.81Å; Y1123-W1150 HydrophobicContact CD2-CE3 3.81Å; Y1123-W1150 HydrophobicContact CD2-CZ3 4.07Å; Y1123-W1150 HydrophobicContact CE2-CE3 4.36Å; Y1123-W1150 HydrophobicContact CE2-CZ3 4.17Å; Y1123-W1150 PolarHBondContact N-O 3.5Å; Y1123-W1150 PolarHBondContact O-N 3.37Å |
| 1124 | A | 92.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 133.9 | 164 | 0 | 0 | 0 | 0 | 0 | 109.6 | V1098 W1099 I1101 V1147 F1148 L1162 L1166 | V1098-A1124 CarbonylContact C-O 3.6Å; V1098-A1124 WeakPolarHBondContact CA-O 3.28Å; W1099-A1124 PolarHBondContact N-O 3.01Å; W1099-A1124 PolarHBondContact O-N 3.36Å; I1101-A1124 HydrophobicContact CD1-CB 3.82Å; I1101-A1124 HydrophobicContact CG1-CB 4.34Å; A1124-V1147 HydrophobicContact CB-CG1 3.89Å; A1124-F1148 CarbonylContact C-O 3.57Å; A1124-F1148 WeakPolarHBondContact CA-O 3.44Å; A1124-L1162 HydrophobicContact CB-CD2 4.11Å; A1124-L1166 HydrophobicContact CB-CD2 3.5Å; A1124-L1166 VanDerWaalsContact CB-CD2 3.5Å |
| 1125 | I | 94.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 104.1 | -179.5 | -58.4 | 80.6 | 0 | 0 | 0 | 107.3 | V1096 K1097 V1098 V1147 F1148 W1150 F1185 L1188 F1189 | V1096-I1125 HydrophobicContact CG1-CG2 3.66Å; K1097-I1125 CarbonylContact O-C 3.57Å; K1097-I1125 VanDerWaalsContact O-CA 3.32Å; K1097-I1125 WeakPolarHBondContact O-CA 3.47Å; V1098-I1125 HydrophobicContact CG1-CG1 4.27Å; V1098-I1125 HydrophobicContact CG2-CB 4.49Å; V1098-I1125 HydrophobicContact CG2-CG1 4.01Å; V1098-I1125 HydrophobicContact CG2-CG2 4.18Å; I1125-V1147 WeakPolarHBondContact O-CA 3.48Å; I1125-F1148 HydrophobicContact CB-CB 4.3Å; I1125-F1148 PolarHBondContact N-O 3.34Å; I1125-F1148 PolarHBondContact O-N 2.95Å; I1125-W1150 HydrophobicContact CD1-CB 3.77Å; I1125-F1185 HydrophobicContact CB-CE2 4.23Å; I1125-F1185 HydrophobicContact CD1-CE2 3.88Å; I1125-F1185 HydrophobicContact CD1-CZ 4.11Å; I1125-F1185 HydrophobicContact CG1-CE2 3.98Å; I1125-F1185 HydrophobicContact CG1-CZ 4.37Å; I1125-L1188 HydrophobicContact CG2-CD1 4.19Å; I1125-F1189 HydrophobicContact CG1-CZ 4.48Å; I1125-F1189 HydrophobicContact CG2-CZ 4.44Å |
| 1126 | R | 93.9 | Very high | 87.7 | Confident | 45 Ų | 45 | 27.7 Ų | 27.7 | 17% | 0.17 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 121.8 | 173.5 | -173.1 | 171 | 86 | -174.9 | 22.3 | 109.2 | V1096 K1097 W1099 A1146 V1147 E1169 C1170 | V1096-R1126 WeakPolarHBondContact CA-O 3.39Å; K1097-R1126 PolarHBondContact N-O 2.79Å; K1097-R1126 PolarHBondContact O-N 3.2Å; W1099-R1126 HydrophobicContact CH2-CB 3.82Å; W1099-R1126 HydrophobicContact CZ3-CB 3.47Å; W1099-R1126 VanDerWaalsContact CZ3-CB 3.47Å; R1126-A1146 WeakPolarHBondContact CA-O 3.2Å; R1126-V1147 HydrophobicContact CB-CG2 4.36Å; R1126-V1147 HydrophobicContact CG-CG2 4.43Å; R1126-E1169 IonicContact CZ-OE2 3.59Å; R1126-E1169 IonicContact NH1-OE2 2.65Å; R1126-E1169 PolarHBondContact NH1-OE2 3.49Å; R1126-E1169 IonicContact NH2-OE2 2.79Å; R1126-C1170 WeakPolarHBondContact CD-SG 3.33Å |
| 1127 | W | 94.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 115.5 | 173 | 178.5 | 37.6 | 0 | 0 | 0 | 109.2 | L1069 V1074 L1091 T1093 Y1129 S1145 A1146 F1148 L1188 | L1069-W1127 HydrophobicContact CD1-CE3 3.83Å; L1069-W1127 HydrophobicContact CD1-CZ3 3.57Å; V1074-W1127 HydrophobicContact CB-CH2 4.22Å; V1074-W1127 HydrophobicContact CB-CZ3 4.35Å; V1074-W1127 HydrophobicContact CG1-CH2 4.48Å; V1074-W1127 HydrophobicContact CG1-CZ3 4.38Å; V1074-W1127 HydrophobicContact CG2-CH2 4.26Å; V1074-W1127 HydrophobicContact CG2-CZ3 4.05Å; L1091-W1127 HydrophobicContact CD1-CH2 4.3Å; L1091-W1127 HydrophobicContact CD2-CH2 3.86Å; L1091-W1127 HydrophobicContact CD2-CZ2 3.6Å; T1093-W1127 PolarHBondContact OG1-NE1 2.95Å; W1127-Y1129 HydrophobicContact CD2-CD1 4.04Å; W1127-Y1129 HydrophobicContact CE3-CD1 4.01Å; W1127-Y1129 HydrophobicContact CE3-CE1 4.43Å; W1127-Y1129 HydrophobicContact CH2-CG 4.49Å; W1127-Y1129 HydrophobicContact CZ2-CG 4.36Å; W1127-Y1129 HydrophobicContact CZ3-CD1 4.28Å; W1127-S1145 WeakPolarHBondContact O-CA 3.42Å; W1127-A1146 PolarHBondContact N-O 2.86Å; W1127-A1146 PolarHBondContact O-N 3.25Å; W1127-F1148 HydrophobicContact CB-CD2 4.3Å; W1127-F1148 HydrophobicContact CB-CE2 3.91Å; W1127-F1148 HydrophobicContact CD2-CE2 4.17Å; W1127-F1148 AromaticContact CE3-CE2 3.62Å; W1127-F1148 HydrophobicContact CE3-CE2 3.62Å; W1127-F1148 AromaticContact CE3-CZ 3.82Å; W1127-F1148 HydrophobicContact CE3-CZ 3.82Å; W1127-F1148 HydrophobicContact CG-CE2 4.35Å; W1127-F1148 HydrophobicContact CZ3-CE2 4.45Å; W1127-F1148 HydrophobicContact CZ3-CZ 4.23Å; W1127-L1188 HydrophobicContact CB-CD1 4.23Å; W1127-L1188 HydrophobicContact CB-CD2 4.48Å; W1127-L1188 VanDerWaalsContact CD1-CD2 3.41Å; W1127-L1188 HydrophobicContact CD2-CD2 3.89Å; W1127-L1188 HydrophobicContact CG-CD1 4.28Å; W1127-L1188 HydrophobicContact CG-CD2 3.71Å; W1127-L1188 HydrophobicContact CZ2-CD2 4.37Å; W1127-L1188 VanDerWaalsContact NE1-CD2 3.34Å |
| 1128 | T | 94 | Very high | 83.9 | Confident | 10 Ų | 10 | 42.4 Ų | 42.4 | 6% | 0.061 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 126.2 | 169.2 | -55.6 | 0 | 0 | 0 | 0 | 108.2 | V1094 S1095 R1144 S1145 | V1094-T1128 HydrophobicContact CB-CG2 4.14Å; V1094-T1128 HydrophobicContact CG1-CG2 4.41Å; V1094-T1128 PolarHBondContact N-O 3.21Å; S1095-T1128 PolarHBondContact N-O 2.96Å; S1095-T1128 PolarHBondContact O-N 3.16Å; T1128-R1144 VanDerWaalsContact CA-O 3.32Å; T1128-R1144 WeakPolarHBondContact CA-O 3.48Å; T1128-S1145 WeakPolarHBondContact CG2-OG 3.19Å; T1128-S1145 PolarHBondContact OG1-OG 2.76Å |
| 1129 | Y | 93.2 | Very high | 82.3 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 153.3 | -176.5 | 63.6 | -82.2 | 0 | 0 | 0 | 110.3 | L1069 L1091 S1092 W1127 L1131 E1143 R1144 | L1069-Y1129 WeakPolarHBondContact CB-OH 3.42Å; L1069-Y1129 HydrophobicContact CD1-CE1 4.07Å; L1091-Y1129 HydrophobicContact CD1-CD2 4.22Å; L1091-Y1129 HydrophobicContact CD1-CE2 4.49Å; L1091-Y1129 HydrophobicContact CD2-CD2 4.2Å; L1091-Y1129 HydrophobicContact CD2-CG 4.42Å; L1091-Y1129 HydrophobicContact CG-CD2 4.05Å; S1092-Y1129 CarbonylContact O-C 3.49Å; S1092-Y1129 VanDerWaalsContact O-CA 3.24Å; S1092-Y1129 WeakPolarHBondContact O-CA 3.41Å; S1092-Y1129 WeakPolarHBondContact O-CB 2.99Å; W1127-Y1129 HydrophobicContact CD2-CD1 4.04Å; W1127-Y1129 HydrophobicContact CE3-CD1 4.01Å; W1127-Y1129 HydrophobicContact CE3-CE1 4.43Å; W1127-Y1129 HydrophobicContact CH2-CG 4.49Å; W1127-Y1129 HydrophobicContact CZ2-CG 4.36Å; W1127-Y1129 HydrophobicContact CZ3-CD1 4.28Å; Y1129-L1131 HydrophobicContact CD2-CD2 4.22Å; Y1129-L1131 HydrophobicContact CD2-CG 4.2Å; Y1129-L1131 HydrophobicContact CE2-CD1 4.18Å; Y1129-L1131 HydrophobicContact CE2-CD2 4.23Å; Y1129-L1131 HydrophobicContact CE2-CG 4.07Å; Y1129-E1143 CarbonylContact O-C 3.5Å; Y1129-E1143 WeakPolarHBondContact O-CA 3.1Å; Y1129-R1144 HydrophobicContact CD1-CB 4.38Å; Y1129-R1144 HydrophobicContact CD2-CB 4.46Å; Y1129-R1144 HydrophobicContact CE1-CB 3.82Å; Y1129-R1144 HydrophobicContact CE2-CB 3.94Å; Y1129-R1144 HydrophobicContact CE2-CG 4.45Å; Y1129-R1144 PolarHBondContact N-O 3.35Å; Y1129-R1144 PolarHBondContact O-N 2.86Å |
| 1130 | S | 91.8 | Very high | 80.8 | Confident | 11 Ų | 11 | 50.9 Ų | 50.9 | 8% | 0.077 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 144.6 | 173.5 | 84.3 | 0 | 0 | 0 | 0 | 111 | S1092 Q1142 | S1092-S1130 PolarHBondContact N-O 2.89Å; S1092-S1130 VanDerWaalsContact N-O 3.09Å; S1092-S1130 PolarHBondContact O-N 2.83Å; S1092-S1130 PolarHBondContact OG-OG 2.85Å; S1130-Q1142 WeakPolarHBondContact CA-O 3.34Å |
| 1131 | L | 89.8 | Confident | 80 | Confident | 7 Ų | 7 | 52.3 Ų | 52.3 | 4% | 0.037 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 116.7 | 172.4 | -62.6 | 176.5 | 0 | 0 | 0 | 108.8 | V1072 V1081 F1083 A1089 L1091 Y1129 Q1142 | V1072-L1131 HydrophobicContact CG2-CD1 4.42Å; V1081-L1131 HydrophobicContact CG2-CD2 3.79Å; F1083-L1131 HydrophobicContact CE1-CD1 3.77Å; F1083-L1131 HydrophobicContact CZ-CB 4.34Å; F1083-L1131 HydrophobicContact CZ-CD1 3.82Å; A1089-L1131 HydrophobicContact CB-CB 4.12Å; A1089-L1131 HydrophobicContact CB-CD2 4.49Å; L1091-L1131 HydrophobicContact CB-CD2 3.89Å; L1091-L1131 HydrophobicContact CD1-CD2 3.95Å; L1091-L1131 HydrophobicContact CG-CD2 3.67Å; Y1129-L1131 HydrophobicContact CD2-CD2 4.22Å; Y1129-L1131 HydrophobicContact CD2-CG 4.2Å; Y1129-L1131 HydrophobicContact CE2-CD1 4.18Å; Y1129-L1131 HydrophobicContact CE2-CD2 4.23Å; Y1129-L1131 HydrophobicContact CE2-CG 4.07Å; L1131-Q1142 PolarHBondContact N-O 2.85Å; L1131-Q1142 PolarHBondContact O-N 3.47Å |
| 1132 | T | 87.2 | Confident | 79.5 | Confident | 53 Ų | 53 | 54.6 Ų | 54.6 | 33% | 0.325 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 115.7 | 175.2 | 45.5 | 0 | 0 | 0 | 0 | 109.8 | A1089 D1090 S1134 A1141 | A1089-T1132 CarbonylContact C-O 3.52Å; A1089-T1132 WeakPolarHBondContact CA-O 3.26Å; A1089-T1132 WeakPolarHBondContact CB-O 3.31Å; D1090-T1132 PolarHBondContact N-O 3.36Å; D1090-T1132 PolarHBondContact O-N 2.84Å; D1090-T1132 VanDerWaalsContact O-N 3.13Å; D1090-T1132 PolarHBondContact O-OG1 3.11Å; T1132-S1134 PolarHBondContact O-N 2.89Å; T1132-A1141 HydrophobicContact CG2-CB 3.64Å |
| 1133 | A | 80.9 | Confident | 79.2 | Confident | 50 Ų | 50 | 60.5 Ų | 60.5 | 41% | 0.413 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 125.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111 | G1135 A1139 | A1133-G1135 PolarHBondContact O-N 3.12Å; A1133-A1139 HydrophobicContact CB-CB 4.3Å |
| 1134 | S | 67.9 | Low | 79.1 | Confident | 89 Ų | 89 | 61.8 Ų | 61.8 | 62% | 0.622 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | 118 | -177.1 | -166.4 | 0 | 0 | 0 | 0 | 110.7 | Q1088 T1132 | Q1088-S1134 PolarHBondContact O-N 2.99Å; T1132-S1134 PolarHBondContact O-N 2.89Å |
| 1135 | G | 64.2 | Low | 79 | Confident | 83 Ų | 83 | 62.8 Ų | 62.8 | 86% | 0.856 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107.6 | 1.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | A1133 | A1133-G1135 PolarHBondContact O-N 3.12Š|
| 1136 | D | 56.4 | Low | 78.9 | Confident | 96 Ų | 96 | 62.8 Ų | 62.8 | 51% | 0.513 | 38% | 0.375 | S | S | . | . | trans | -130.9 | 90.7 | 177.5 | -169.1 | -5.1 | 0 | 0 | 0 | 111 | S1138 A1139 | D1136-S1138 PolarHBondContact O-N 3.32Å; D1136-S1138 PolarHBondContact OD1-N 3.22Å; D1136-A1139 HydrophobicContact CB-CB 4.12Å; D1136-A1139 WeakPolarHBondContact O-CB 3.17Å; D1136-A1139 PolarHBondContact O-N 3.16Å | ||
| 1137 | E | 56.1 | Low | 78.9 | Confident | 208 Ų | 208 | 60.7 Ų | 60.7 | 97% | 0.972 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -3.5 | -176.2 | -64.4 | -166.9 | 151.7 | 0 | 0 | 114.3 | ||
| 1138 | S | 54 | Low | 78.8 | Confident | 110 Ų | 110 | 60.7 Ų | 60.7 | 77% | 0.769 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | -1.3 | 171.2 | -65.8 | 0 | 0 | 0 | 0 | 113.8 | D1136 L1140 | D1136-S1138 PolarHBondContact O-N 3.32Å; D1136-S1138 PolarHBondContact OD1-N 3.22Å; S1138-L1140 PolarHBondContact O-N 3.5Å |
| 1139 | A | 57.4 | Low | 78.8 | Confident | 42 Ų | 42 | 60.3 Ų | 60.3 | 35% | 0.347 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -77.4 | 109.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | A1133 D1136 A1141 | A1133-A1139 HydrophobicContact CB-CB 4.3Å; D1136-A1139 HydrophobicContact CB-CB 4.12Å; D1136-A1139 WeakPolarHBondContact O-CB 3.17Å; D1136-A1139 PolarHBondContact O-N 3.16Å; A1139-A1141 PolarHBondContact O-N 2.7Å |
| 1140 | L | 61.1 | Low | 78.9 | Confident | 168 Ų | 168 | 60.3 Ų | 60.3 | 88% | 0.88 | 36% | 0.364 | S | S | * | . | trans | -53.4 | 128.5 | 172.9 | -78 | 141.6 | 0 | 0 | 0 | 110.8 | S1138 Q1142 | S1138-L1140 PolarHBondContact O-N 3.5Å; L1140-Q1142 PolarHBondContact O-N 3.37Å | ||
| 1141 | A | 71.9 | Confident | 78.9 | Confident | 53 Ų | 53 | 63 Ų | 63 | 44% | 0.438 | 38% | 0.375 | S | S | . | . | trans | -56.6 | 122.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | T1132 A1139 E1143 | T1132-A1141 HydrophobicContact CG2-CB 3.64Å; A1139-A1141 PolarHBondContact O-N 2.7Å; A1141-E1143 PolarHBondContact O-N 2.82Å | ||
| 1142 | Q | 80 | Confident | 79 | Confident | 104 Ų | 104 | 62.8 Ų | 62.8 | 49% | 0.486 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 105.7 | -179.7 | -168.2 | -173 | 16.3 | 0 | 0 | 109.9 | S1130 L1131 L1140 R1144 | S1130-Q1142 WeakPolarHBondContact CA-O 3.34Å; L1131-Q1142 PolarHBondContact N-O 2.85Å; L1131-Q1142 PolarHBondContact O-N 3.47Å; L1140-Q1142 PolarHBondContact O-N 3.37Å; Q1142-R1144 HydrophobicContact CG-CG 4.39Å; Q1142-R1144 VanDerWaalsContact OE1-NE 3.13Å |
| 1143 | E | 88.2 | Confident | 78.9 | Confident | 126 Ų | 126 | 63.9 Ų | 63.9 | 59% | 0.589 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 140.9 | 167.1 | -64.3 | -169.1 | 174.7 | 0 | 0 | 111.4 | V1094 Y1129 A1141 | V1094-E1143 HydrophobicContact CG2-CG 4.46Å; Y1129-E1143 CarbonylContact O-C 3.5Å; Y1129-E1143 WeakPolarHBondContact O-CA 3.1Å; A1141-E1143 PolarHBondContact O-N 2.82Å |
| 1144 | R | 90.2 | Very high | 79.2 | Confident | 42 Ų | 42 | 65.1 Ų | 65.1 | 16% | 0.158 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 156 | 176.3 | -61 | -174 | -175.7 | -164.9 | 2.3 | 109.3 | D1070 T1128 Y1129 Q1142 | D1070-R1144 PolarHBondContact O-NH1 2.58Å; T1128-R1144 VanDerWaalsContact CA-O 3.32Å; T1128-R1144 WeakPolarHBondContact CA-O 3.48Å; Y1129-R1144 HydrophobicContact CD1-CB 4.38Å; Y1129-R1144 HydrophobicContact CD2-CB 4.46Å; Y1129-R1144 HydrophobicContact CE1-CB 3.82Å; Y1129-R1144 HydrophobicContact CE2-CB 3.94Å; Y1129-R1144 HydrophobicContact CE2-CG 4.45Å; Y1129-R1144 PolarHBondContact N-O 3.35Å; Y1129-R1144 PolarHBondContact O-N 2.86Å; Q1142-R1144 HydrophobicContact CG-CG 4.39Å; Q1142-R1144 VanDerWaalsContact OE1-NE 3.13Å |
| 1145 | S | 91.3 | Very high | 80.1 | Confident | 22 Ų | 22 | 61.3 Ų | 61.3 | 15% | 0.154 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 132 | 179.4 | -68.1 | 0 | 0 | 0 | 0 | 112.4 | W1127 T1128 C1170 S1171 | W1127-S1145 WeakPolarHBondContact O-CA 3.42Å; T1128-S1145 WeakPolarHBondContact CG2-OG 3.19Å; T1128-S1145 PolarHBondContact OG1-OG 2.76Å; S1145-C1170 WeakPolarHBondContact O-CA 3.37Å; S1145-C1170 WeakPolarHBondContact O-CB 3.38Å; S1145-S1171 PolarHBondContact O-N 3.45Å; S1145-S1171 PolarHBondContact O-OG 3.26Å |
| 1146 | A | 92.8 | Very high | 81 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 156.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | L1069 R1126 W1127 A1172 | L1069-A1146 HydrophobicContact CD1-CB 3.78Å; L1069-A1146 HydrophobicContact CD2-CB 4.22Å; R1126-A1146 WeakPolarHBondContact CA-O 3.2Å; W1127-A1146 PolarHBondContact N-O 2.86Å; W1127-A1146 PolarHBondContact O-N 3.25Å; A1146-A1172 CarbonylContact C-O 3.51Å; A1146-A1172 VanDerWaalsContact CA-O 3.29Å; A1146-A1172 WeakPolarHBondContact CA-O 3.35Å; A1146-A1172 HydrophobicContact CB-CB 4.1Å |
| 1147 | V | 93 | Very high | 82 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 124.4 | 175.9 | -178.8 | 0 | 0 | 0 | 0 | 110.5 | A1124 I1125 R1126 I1149 C1170 A1172 Q1173 V1174 | A1124-V1147 HydrophobicContact CB-CG1 3.89Å; I1125-V1147 WeakPolarHBondContact O-CA 3.48Å; R1126-V1147 HydrophobicContact CB-CG2 4.36Å; R1126-V1147 HydrophobicContact CG-CG2 4.43Å; V1147-I1149 HydrophobicContact CG1-CG1 4.16Å; V1147-C1170 HydrophobicContact CG2-CB 3.83Å; V1147-C1170 VanDerWaalsContact CG2-SG 3.51Å; V1147-A1172 PolarHBondContact N-O 2.88Å; V1147-Q1173 CarbonylContact O-C 3.56Å; V1147-Q1173 WeakPolarHBondContact O-CA 3.19Å; V1147-V1174 PolarHBondContact O-N 3.22Å |
| 1148 | F | 93.7 | Very high | 82.5 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 129.7 | 164 | -60.5 | -79.4 | 0 | 0 | 0 | 109.6 | V1067 A1124 I1125 W1127 V1174 I1176 F1185 L1188 | V1067-F1148 HydrophobicContact CG1-CE1 4.27Å; A1124-F1148 CarbonylContact C-O 3.57Å; A1124-F1148 WeakPolarHBondContact CA-O 3.44Å; I1125-F1148 HydrophobicContact CB-CB 4.3Å; I1125-F1148 PolarHBondContact N-O 3.34Å; I1125-F1148 PolarHBondContact O-N 2.95Å; W1127-F1148 HydrophobicContact CB-CD2 4.3Å; W1127-F1148 HydrophobicContact CB-CE2 3.91Å; W1127-F1148 HydrophobicContact CD2-CE2 4.17Å; W1127-F1148 AromaticContact CE3-CE2 3.62Å; W1127-F1148 HydrophobicContact CE3-CE2 3.62Å; W1127-F1148 AromaticContact CE3-CZ 3.82Å; W1127-F1148 HydrophobicContact CE3-CZ 3.82Å; W1127-F1148 HydrophobicContact CG-CE2 4.35Å; W1127-F1148 HydrophobicContact CZ3-CE2 4.45Å; W1127-F1148 HydrophobicContact CZ3-CZ 4.23Å; F1148-V1174 CarbonylContact C-O 3.6Å; F1148-V1174 VanDerWaalsContact CA-O 3.31Å; F1148-V1174 WeakPolarHBondContact CA-O 3.25Å; F1148-V1174 HydrophobicContact CD1-CB 3.75Å; F1148-V1174 HydrophobicContact CD1-CG1 3.95Å; F1148-V1174 HydrophobicContact CD1-CG2 4.45Å; F1148-V1174 HydrophobicContact CE1-CB 4.09Å; F1148-V1174 HydrophobicContact CE1-CG1 4.17Å; F1148-V1174 HydrophobicContact CE1-CG2 4.35Å; F1148-I1176 HydrophobicContact CB-CD1 4.05Å; F1148-I1176 HydrophobicContact CD1-CD1 3.6Å; F1148-I1176 HydrophobicContact CD1-CG1 4.45Å; F1148-I1176 HydrophobicContact CE1-CD1 4.4Å; F1148-I1176 HydrophobicContact CG-CD1 4.12Å; F1148-F1185 HydrophobicContact CB-CD2 3.75Å; F1148-F1185 HydrophobicContact CB-CE2 3.81Å; F1148-F1185 HydrophobicContact CD1-CD2 4.19Å; F1148-F1185 AromaticContact CD2-CD2 3.96Å; F1148-F1185 HydrophobicContact CD2-CD2 3.96Å; F1148-F1185 AromaticContact CG-CD2 3.71Å; F1148-F1185 HydrophobicContact CG-CD2 3.71Å; F1148-F1185 HydrophobicContact CG-CE2 4.28Å; F1148-L1188 HydrophobicContact CD2-CD1 4.03Å; F1148-L1188 HydrophobicContact CE2-CD1 3.91Å |
| 1149 | I | 93.3 | Very high | 83 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 95.7 | 177.8 | -54.9 | 168.1 | 0 | 0 | 0 | 106.4 | T1122 Y1123 V1147 L1162 V1174 F1175 I1176 | T1122-I1149 HydrophobicContact CG2-CG2 4.24Å; Y1123-I1149 CarbonylContact O-C 3.47Å; V1147-I1149 HydrophobicContact CG1-CG1 4.16Å; I1149-L1162 HydrophobicContact CD1-CD1 3.61Å; I1149-L1162 HydrophobicContact CG1-CD1 3.97Å; I1149-V1174 PolarHBondContact N-O 3.24Å; I1149-F1175 HydrophobicContact CB-CD1 3.87Å; I1149-F1175 HydrophobicContact CB-CE1 4.13Å; I1149-F1175 HydrophobicContact CB-CG 4.44Å; I1149-F1175 HydrophobicContact CD1-CD1 3.97Å; I1149-F1175 HydrophobicContact CD1-CD2 4.44Å; I1149-F1175 HydrophobicContact CD1-CE1 3.48Å; I1149-F1175 VanDerWaalsContact CD1-CE1 3.48Å; I1149-F1175 HydrophobicContact CD1-CE2 3.99Å; I1149-F1175 HydrophobicContact CD1-CG 4.43Å; I1149-F1175 HydrophobicContact CD1-CZ 3.48Å; I1149-F1175 VanDerWaalsContact CD1-CZ 3.48Å; I1149-F1175 HydrophobicContact CG1-CE1 4.41Å; I1149-F1175 HydrophobicContact CG2-CD1 3.9Å; I1149-F1175 HydrophobicContact CG2-CE1 3.94Å; I1149-I1176 PolarHBondContact O-N 3.37Å |
| 1150 | W | 94.9 | Very high | 83.3 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 126 | -179.8 | -174.1 | 95.7 | 0 | 0 | 0 | 110 | L1117 N1118 T1122 Y1123 I1125 G1152 I1176 E1178 E1181 F1185 I1195 | L1117-W1150 HydrophobicContact CB-CE3 4.39Å; L1117-W1150 HydrophobicContact CB-CH2 4.05Å; L1117-W1150 HydrophobicContact CB-CZ2 4.41Å; L1117-W1150 HydrophobicContact CB-CZ3 4.03Å; L1117-W1150 HydrophobicContact CD1-CD2 3.78Å; L1117-W1150 HydrophobicContact CD1-CE3 4.15Å; L1117-W1150 HydrophobicContact CD1-CG 4.1Å; L1117-W1150 HydrophobicContact CD1-CZ2 4.22Å; N1118-W1150 WeakPolarHBondContact O-CZ3 3.44Å; T1122-W1150 WeakPolarHBondContact CA-O 3.44Å; Y1123-W1150 AromaticContact CD2-CE3 3.81Å; Y1123-W1150 HydrophobicContact CD2-CE3 3.81Å; Y1123-W1150 HydrophobicContact CD2-CZ3 4.07Å; Y1123-W1150 HydrophobicContact CE2-CE3 4.36Å; Y1123-W1150 HydrophobicContact CE2-CZ3 4.17Å; Y1123-W1150 PolarHBondContact N-O 3.5Å; Y1123-W1150 PolarHBondContact O-N 3.37Å; I1125-W1150 HydrophobicContact CD1-CB 3.77Å; W1150-G1152 VanDerWaalsContact CZ3-CA 3.46Å; W1150-G1152 VanDerWaalsContact CZ3-N 3.27Å; W1150-I1176 CarbonylContact C-O 3.59Å; W1150-I1176 WeakPolarHBondContact CA-O 3.41Å; W1150-E1178 HydrophobicContact CH2-CB 4.31Å; W1150-E1178 HydrophobicContact CH2-CG 4.38Å; W1150-E1178 HydrophobicContact CZ2-CB 3.77Å; W1150-E1178 HydrophobicContact CZ2-CG 3.83Å; W1150-E1181 PolarHBondContact NE1-OE1 2.98Å; W1150-F1185 HydrophobicContact CB-CE2 4.45Å; W1150-F1185 HydrophobicContact CB-CZ 3.97Å; W1150-F1185 AromaticContact CD1-CE1 3.73Å; W1150-F1185 AromaticContact CD1-CZ 3.66Å; W1150-F1185 HydrophobicContact CG-CE1 4.5Å; W1150-F1185 HydrophobicContact CG-CZ 4.02Å; W1150-I1195 HydrophobicContact CH2-CG2 4.28Å; W1150-I1195 HydrophobicContact CZ2-CD1 4.24Å; W1150-I1195 HydrophobicContact CZ2-CG1 4.12Å; W1150-I1195 HydrophobicContact CZ2-CG2 4.37Å |
| 1151 | K | 92.7 | Very high | 83.4 | Confident | 68 Ų | 68 | 53.5 Ų | 53.5 | 30% | 0.296 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 118.3 | 179.7 | 173.8 | 163.1 | 177 | 149.7 | 0 | 110.8 | S1155 I1157 I1176 E1178 | K1151-S1155 WeakPolarHBondContact CE-O 3.47Å; K1151-S1155 PolarHBondContact NZ-O 3.02Å; K1151-I1157 PolarHBondContact NZ-O 2.88Å; K1151-I1176 PolarHBondContact N-O 2.96Å; K1151-E1178 PolarHBondContact O-N 3.42Å |
| 1152 | G | 91.2 | Very high | 83.3 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | trans | -66.4 | 150.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E1119 N1121 W1150 H1154 S1155 E1178 | E1119-G1152 CarbonylContact O-C 3.52Å; E1119-G1152 WeakPolarHBondContact O-CA 3.16Å; N1121-G1152 PolarHBondContact O-N 3.13Å; W1150-G1152 VanDerWaalsContact CZ3-CA 3.46Å; W1150-G1152 VanDerWaalsContact CZ3-N 3.27Å; G1152-H1154 PolarHBondContact O-N 3.16Å; G1152-H1154 VanDerWaalsContact O-N 3.13Å; G1152-S1155 WeakPolarHBondContact O-CB 3.5Å; G1152-S1155 PolarHBondContact O-N 3.36Å; G1152-E1178 WeakPolarHBondContact CA-OE2 3.16Å | ||
| 1153 | R | 86.5 | Confident | 82.9 | Confident | 76 Ų | 76 | 48.6 Ų | 48.6 | 29% | 0.287 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -19.9 | -172.9 | 68.7 | -161.8 | -73.5 | -106.3 | 5 | 114.7 | E1119 E1178 D1362 E1443 | E1119-R1153 HydrophobicContact CB-CG 4.2Å; E1119-R1153 PolarHBondContact O-N 2.9Å; E1119-R1153 IonicContact OE2-NH1 2.74Å; R1153-E1178 WeakPolarHBondContact CD-OE1 3.34Å; R1153-E1178 WeakPolarHBondContact CG-OE2 3.33Å; R1153-E1178 PolarHBondContact N-OE2 2.67Å; R1153-D1362 IonicContact CZ-OD1 2.76Å; R1153-D1362 IonicContact CZ-OD2 3.43Å; R1153-D1362 IonicContact NE-OD1 3.78Å; R1153-D1362 IonicContact NE-OD2 2.7Å; R1153-D1362 PolarHBondContact NE-OD2 2.91Å; R1153-D1362 IonicContact NH2-OD1 3.35Å; R1153-D1362 PolarHBondContact NH2-OD1 2.8Å; R1153-D1362 IonicContact NH2-OD2 3.65Å; R1153-D1362 PolarHBondContact NH2-OD2 2.94Å; R1153-E1443 IonicContact CZ-OE2 3.33Å; R1153-E1443 VanDerWaalsContact CZ-OE2 3.29Å; R1153-E1443 IonicContact NH1-OE1 3.49Å; R1153-E1443 IonicContact NH1-OE2 3.61Å; R1153-E1443 PolarHBondContact NH1-OE2 2.99Å; R1153-E1443 IonicContact NH2-OE2 3.62Å; R1153-E1443 PolarHBondContact NH2-OE2 3.15Å |
| 1154 | H | 86 | Confident | 82 | Confident | 77 Ų | 77 | 46.9 Ų | 46.9 | 36% | 0.356 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 11.4 | 176.5 | -62.4 | 136.9 | 0 | 0 | 0 | 113.6 | E1119 G1152 | E1119-H1154 CarbonylContact O-C 3.54Å; E1119-H1154 WeakPolarHBondContact O-CA 3.46Å; E1119-H1154 PolarHBondContact O-N 2.87Å; E1119-H1154 IonicContact OE1-CE1 3.49Å; E1119-H1154 IonicContact OE1-ND1 3.28Å; E1119-H1154 PolarHBondContact OE1-ND1 2.84Å; E1119-H1154 IonicContact OE2-CE1 2.67Å; E1119-H1154 PolarHBondContact OE2-CE1 3.42Å; E1119-H1154 IonicContact OE2-ND1 3.39Å; E1119-H1154 PolarHBondContact OE2-ND1 2.84Å; G1152-H1154 PolarHBondContact O-N 3.16Å; G1152-H1154 VanDerWaalsContact O-N 3.13Å |
| 1155 | S | 87.4 | Confident | 81 | Confident | 8 Ų | 8 | 48 Ų | 48 | 6% | 0.056 | 26% | 0.255 | C | S | . | . | trans | -85.1 | 127.1 | -176.8 | -155.9 | 0 | 0 | 0 | 0 | 113.8 | E1119 G1120 N1121 T1122 K1151 G1152 | E1119-S1155 PolarHBondContact O-N 2.94Å; G1120-S1155 WeakPolarHBondContact O-CA 3.1Å; G1120-S1155 WeakPolarHBondContact O-CB 3.42Å; G1120-S1155 PolarHBondContact O-OG 2.91Å; N1121-S1155 WeakPolarHBondContact CA-OG 3.43Å; T1122-S1155 PolarHBondContact N-OG 3.35Å; T1122-S1155 WeakPolarHBondContact OG1-CB 3.44Å; T1122-S1155 PolarHBondContact OG1-OG 3.09Å; K1151-S1155 WeakPolarHBondContact CE-O 3.47Å; K1151-S1155 PolarHBondContact NZ-O 3.02Å; G1152-S1155 WeakPolarHBondContact O-CB 3.5Å; G1152-S1155 PolarHBondContact O-N 3.36Å | ||
| 1156 | N | 82.2 | Confident | 80.1 | Confident | 149 Ų | 149 | 47.5 Ų | 47.5 | 80% | 0.797 | 25% | 0.251 | S | S | * | . | trans | -76.5 | -22.8 | 179.5 | -66.9 | -17.9 | 0 | 0 | 0 | 113.4 | ||||
| 1157 | I | 78.9 | Confident | 79.2 | Confident | 27 Ų | 27 | 49.1 Ų | 49.1 | 14% | 0.138 | 26% | 0.261 | C | S | . | . | trans | -66.7 | 141.4 | -172.2 | -65.9 | 171.7 | 0 | 0 | 0 | 111.3 | I1101 T1122 K1151 | I1101-I1157 HydrophobicContact CG2-CG2 4.09Å; I1101-I1157 VanDerWaalsContact O-CD1 3.24Å; I1101-I1157 WeakPolarHBondContact O-CD1 3.42Å; T1122-I1157 HydrophobicContact CG2-CG2 4.35Å; K1151-I1157 PolarHBondContact NZ-O 2.88Å | ||
| 1158 | S | 67 | Low | 78 | Confident | 62 Ų | 62 | 55.6 Ų | 55.6 | 43% | 0.434 | 30% | 0.295 | S | S | . | . | trans | -75.6 | -25.5 | -174.6 | 87.5 | 0 | 0 | 0 | 0 | 113.6 | R1160 D1161 | S1158-R1160 PolarHBondContact O-N 2.8Å; S1158-R1160 WeakPolarHBondContact OG-CB 3.31Å; S1158-R1160 PolarHBondContact OG-N 2.91Å; S1158-D1161 WeakPolarHBondContact CB-OD2 3.4Å; S1158-D1161 PolarHBondContact OG-OD2 3.14Å | ||
| 1159 | G | 63 | Low | 76.9 | Confident | 3 Ų | 3 | 61.8 Ų | 61.8 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | S | Bend | trans | 78.3 | -1.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1160 | R | 64.1 | Low | 76.1 | Confident | 192 Ų | 192 | 62.4 Ų | 62.4 | 73% | 0.725 | 33% | 0.328 | S | S | * | . | trans | -86.3 | -16 | 173.6 | -60 | -176.5 | 176 | -176.7 | -0.7 | 113 | S1158 L1162 | S1158-R1160 PolarHBondContact O-N 2.8Å; S1158-R1160 WeakPolarHBondContact OG-CB 3.31Å; S1158-R1160 PolarHBondContact OG-N 2.91Å; R1160-L1162 PolarHBondContact O-N 3.46Å | ||
| 1161 | D | 63.4 | Low | 75 | Confident | 110 Ų | 110 | 65.9 Ų | 65.9 | 59% | 0.588 | 35% | 0.353 | S | S | * | . | trans | -87.7 | 20.3 | -168.7 | -43.2 | -71.1 | 0 | 0 | 0 | 113.4 | S1158 | S1158-D1161 WeakPolarHBondContact CB-OD2 3.4Å; S1158-D1161 PolarHBondContact OG-OD2 3.14Å | ||
| 1162 | L | 69.2 | Low | 74.7 | Confident | 19 Ų | 19 | 63.4 Ų | 63.4 | 10% | 0.099 | 35% | 0.345 | C | S | . | . | trans | -63.4 | 144.9 | -180 | -63.9 | -177.3 | 0 | 0 | 0 | 111.9 | I1101 A1124 I1149 R1160 T1167 | I1101-L1162 HydrophobicContact CD1-CD2 3.47Å; I1101-L1162 VanDerWaalsContact CD1-CD2 3.47Å; I1101-L1162 HydrophobicContact CG1-CD2 3.79Å; I1101-L1162 HydrophobicContact CG2-CD2 4.35Å; A1124-L1162 HydrophobicContact CB-CD2 4.11Å; I1149-L1162 HydrophobicContact CD1-CD1 3.61Å; I1149-L1162 HydrophobicContact CG1-CD1 3.97Å; R1160-L1162 PolarHBondContact O-N 3.46Å; L1162-T1167 HydrophobicContact CB-CG2 3.68Å; L1162-T1167 HydrophobicContact CD1-CG2 3.86Å; L1162-T1167 HydrophobicContact CG-CG2 4.43Å | ||
| 1163 | S | 71.5 | Confident | 74.5 | Confident | 35 Ų | 35 | 67.7 Ų | 67.7 | 25% | 0.245 | 37% | 0.365 | C | S | . | . | trans | -61.2 | 148.7 | 174.6 | 64 | 0 | 0 | 0 | 0 | 112.9 | D1106 A1165 L1166 T1167 | D1106-S1163 WeakPolarHBondContact OD2-CB 3.25Å; D1106-S1163 PolarHBondContact OD2-N 2.92Å; D1106-S1163 PolarHBondContact OD2-OG 3.34Å; S1163-A1165 PolarHBondContact O-N 2.92Å; S1163-A1165 VanDerWaalsContact O-N 3.08Å; S1163-L1166 PolarHBondContact O-N 3.1Å; S1163-L1166 VanDerWaalsContact O-N 3.16Å; S1163-T1167 PolarHBondContact O-N 3.36Å; S1163-T1167 PolarHBondContact O-OG1 3.36Å; S1163-T1167 VanDerWaalsContact O-OG1 3.05Å | ||
| 1164 | P | 70.5 | Confident | 74.6 | Confident | 91 Ų | 91 | 65.6 Ų | 65.6 | 59% | 0.591 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -56.3 | -22.5 | 171.8 | -28.6 | 36.7 | 0 | 0 | 0 | 114.3 | T1167 N1168 | P1164-T1167 WeakPolarHBondContact CA-OG1 3.44Å; P1164-N1168 WeakPolarHBondContact O-CB 3.43Å; P1164-N1168 PolarHBondContact O-N 3.02Å; P1164-N1168 PolarHBondContact O-ND2 2.91Å |
| 1165 | A | 69.2 | Low | 74.9 | Confident | 65 Ų | 65 | 67.8 Ų | 67.8 | 54% | 0.537 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -71.3 | -42.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1163 | S1163-A1165 PolarHBondContact O-N 2.92Å; S1163-A1165 VanDerWaalsContact O-N 3.08Å |
| 1166 | L | 72.6 | Confident | 75.1 | Confident | 11 Ų | 11 | 67.9 Ų | 67.9 | 6% | 0.058 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -69.7 | -34.8 | 176.4 | -95.7 | 64.4 | 0 | 0 | 0 | 112.3 | W1099 I1101 A1124 S1163 | W1099-L1166 HydrophobicContact CB-CD2 4.17Å; W1099-L1166 HydrophobicContact CD2-CD1 3.99Å; W1099-L1166 HydrophobicContact CD2-CD2 3.96Å; W1099-L1166 HydrophobicContact CD2-CG 4.2Å; W1099-L1166 HydrophobicContact CE3-CD2 4.03Å; W1099-L1166 HydrophobicContact CE3-CG 4.27Å; W1099-L1166 HydrophobicContact CG-CD1 4.21Å; W1099-L1166 HydrophobicContact CG-CD2 4.03Å; W1099-L1166 HydrophobicContact CZ2-CD1 4.22Å; I1101-L1166 HydrophobicContact CD1-CD2 4.3Å; A1124-L1166 HydrophobicContact CB-CD2 3.5Å; A1124-L1166 VanDerWaalsContact CB-CD2 3.5Å; S1163-L1166 PolarHBondContact O-N 3.1Å; S1163-L1166 VanDerWaalsContact O-N 3.16Å |
| 1167 | T | 71.8 | Confident | 75.5 | Confident | 35 Ų | 35 | 64.7 Ų | 64.7 | 22% | 0.215 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -87.6 | -35.7 | -171.5 | 49.2 | 0 | 0 | 0 | 0 | 114.1 | L1162 S1163 P1164 | L1162-T1167 HydrophobicContact CB-CG2 3.68Å; L1162-T1167 HydrophobicContact CD1-CG2 3.86Å; L1162-T1167 HydrophobicContact CG-CG2 4.43Å; S1163-T1167 PolarHBondContact O-N 3.36Å; S1163-T1167 PolarHBondContact O-OG1 3.36Å; S1163-T1167 VanDerWaalsContact O-OG1 3.05Å; P1164-T1167 WeakPolarHBondContact CA-OG1 3.44Å |
| 1168 | N | 69.9 | Low | 76.1 | Confident | 136 Ų | 136 | 64.3 Ų | 64.3 | 73% | 0.727 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -77.8 | -23.2 | -177.5 | -70.7 | -41.7 | 0 | 0 | 0 | 114.5 | P1164 C1170 | P1164-N1168 WeakPolarHBondContact O-CB 3.43Å; P1164-N1168 PolarHBondContact O-N 3.02Å; P1164-N1168 PolarHBondContact O-ND2 2.91Å; N1168-C1170 VanDerWaalsContact C-N 3.34Å |
| 1169 | E | 69.3 | Low | 77.1 | Confident | 130 Ų | 130 | 61.7 Ų | 61.7 | 61% | 0.607 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -5.8 | -179.6 | -69.7 | -168.3 | 175.9 | 0 | 0 | 114 | R1126 | R1126-E1169 IonicContact CZ-OE2 3.59Å; R1126-E1169 IonicContact NH1-OE2 2.65Å; R1126-E1169 PolarHBondContact NH1-OE2 3.49Å; R1126-E1169 IonicContact NH2-OE2 2.79Å |
| 1170 | C | 76.5 | Confident | 78.4 | Confident | 15 Ų | 15 | 64.3 Ų | 64.3 | 10% | 0.101 | 35% | 0.347 | C | S | . | . | trans | -125 | 136.4 | -169.7 | -61.1 | 0 | 0 | 0 | 0 | 112.4 | R1126 S1145 V1147 N1168 | R1126-C1170 WeakPolarHBondContact CD-SG 3.33Å; S1145-C1170 WeakPolarHBondContact O-CA 3.37Å; S1145-C1170 WeakPolarHBondContact O-CB 3.38Å; V1147-C1170 HydrophobicContact CG2-CB 3.83Å; V1147-C1170 VanDerWaalsContact CG2-SG 3.51Å; N1168-C1170 VanDerWaalsContact C-N 3.34Å | ||
| 1171 | S | 73.1 | Confident | 79.8 | Confident | 74 Ų | 74 | 55.6 Ų | 55.6 | 52% | 0.517 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -82.2 | -25.5 | -174.1 | 45.8 | 0 | 0 | 0 | 0 | 113.8 | D1070 S1145 | D1070-S1171 WeakPolarHBondContact OD1-CB 3.31Å; D1070-S1171 PolarHBondContact OD1-OG 2.83Å; D1070-S1171 WeakPolarHBondContact OD2-CB 3.42Å; D1070-S1171 PolarHBondContact OD2-OG 3.2Å; S1145-S1171 PolarHBondContact O-N 3.45Å; S1145-S1171 PolarHBondContact O-OG 3.26Å |
| 1172 | A | 84.7 | Confident | 81.2 | Confident | 16 Ų | 16 | 50.9 Ų | 50.9 | 13% | 0.132 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 144.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1069 A1146 V1147 | L1069-A1172 HydrophobicContact CB-CB 4.39Å; L1069-A1172 HydrophobicContact CD2-CB 3.81Å; A1146-A1172 CarbonylContact C-O 3.51Å; A1146-A1172 VanDerWaalsContact CA-O 3.29Å; A1146-A1172 WeakPolarHBondContact CA-O 3.35Å; A1146-A1172 HydrophobicContact CB-CB 4.1Å; V1147-A1172 PolarHBondContact N-O 2.88Å |
| 1173 | Q | 87.5 | Confident | 82.3 | Confident | 90 Ų | 90 | 50.1 Ų | 50.1 | 42% | 0.421 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 134 | 175.6 | -61.7 | 178.5 | 19.6 | 0 | 0 | 109.3 | V1147 | V1147-Q1173 CarbonylContact O-C 3.56Å; V1147-Q1173 WeakPolarHBondContact O-CA 3.19Å |
| 1174 | V | 89.5 | Confident | 83.3 | Confident | 33 Ų | 33 | 48.5 Ų | 48.5 | 20% | 0.2 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 116.9 | -174.9 | 179 | 0 | 0 | 0 | 0 | 110 | V1067 L1069 V1147 F1148 I1149 I1176 | V1067-V1174 HydrophobicContact CG1-CG2 4.37Å; L1069-V1174 HydrophobicContact CD2-CG2 3.7Å; V1147-V1174 PolarHBondContact O-N 3.22Å; F1148-V1174 CarbonylContact C-O 3.6Å; F1148-V1174 VanDerWaalsContact CA-O 3.31Å; F1148-V1174 WeakPolarHBondContact CA-O 3.25Å; F1148-V1174 HydrophobicContact CD1-CB 3.75Å; F1148-V1174 HydrophobicContact CD1-CG1 3.95Å; F1148-V1174 HydrophobicContact CD1-CG2 4.45Å; F1148-V1174 HydrophobicContact CE1-CB 4.09Å; F1148-V1174 HydrophobicContact CE1-CG1 4.17Å; F1148-V1174 HydrophobicContact CE1-CG2 4.35Å; I1149-V1174 PolarHBondContact N-O 3.24Å; V1174-I1176 HydrophobicContact CG1-CG1 4.37Å |
| 1175 | F | 91.1 | Very high | 84.5 | Confident | 123 Ų | 123 | 44.1 Ų | 44.1 | 54% | 0.539 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 135.5 | 174.6 | -67.8 | -92.4 | 0 | 0 | 0 | 111 | I1149 | I1149-F1175 HydrophobicContact CB-CD1 3.87Å; I1149-F1175 HydrophobicContact CB-CE1 4.13Å; I1149-F1175 HydrophobicContact CB-CG 4.44Å; I1149-F1175 HydrophobicContact CD1-CD1 3.97Å; I1149-F1175 HydrophobicContact CD1-CD2 4.44Å; I1149-F1175 HydrophobicContact CD1-CE1 3.48Å; I1149-F1175 VanDerWaalsContact CD1-CE1 3.48Å; I1149-F1175 HydrophobicContact CD1-CE2 3.99Å; I1149-F1175 HydrophobicContact CD1-CG 4.43Å; I1149-F1175 HydrophobicContact CD1-CZ 3.48Å; I1149-F1175 VanDerWaalsContact CD1-CZ 3.48Å; I1149-F1175 HydrophobicContact CG1-CE1 4.41Å; I1149-F1175 HydrophobicContact CG2-CD1 3.9Å; I1149-F1175 HydrophobicContact CG2-CE1 3.94Å |
| 1176 | I | 91.7 | Very high | 85.8 | Confident | 9 Ų | 9 | 41.2 Ų | 41.2 | 5% | 0.046 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 127 | 176.8 | -61.7 | 171.4 | 0 | 0 | 0 | 108 | F1148 I1149 W1150 K1151 V1174 E1181 P1182 F1185 | F1148-I1176 HydrophobicContact CB-CD1 4.05Å; F1148-I1176 HydrophobicContact CD1-CD1 3.6Å; F1148-I1176 HydrophobicContact CD1-CG1 4.45Å; F1148-I1176 HydrophobicContact CE1-CD1 4.4Å; F1148-I1176 HydrophobicContact CG-CD1 4.12Å; I1149-I1176 PolarHBondContact O-N 3.37Å; W1150-I1176 CarbonylContact C-O 3.59Å; W1150-I1176 WeakPolarHBondContact CA-O 3.41Å; K1151-I1176 PolarHBondContact N-O 2.96Å; V1174-I1176 HydrophobicContact CG1-CG1 4.37Å; I1176-E1181 HydrophobicContact CG2-CG 4.13Å; I1176-P1182 HydrophobicContact CD1-CG 4.14Å; I1176-F1185 HydrophobicContact CD1-CB 3.89Å; I1176-F1185 HydrophobicContact CD1-CD1 4.24Å; I1176-F1185 HydrophobicContact CD1-CD2 3.51Å; I1176-F1185 HydrophobicContact CD1-CE2 4.01Å; I1176-F1185 HydrophobicContact CD1-CG 3.62Å |
| 1177 | T | 90.9 | Very high | 86.8 | Confident | 83 Ų | 83 | 40.9 Ų | 40.9 | 51% | 0.509 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 148.6 | 165.5 | 53.2 | 0 | 0 | 0 | 0 | 110.2 | G1179 E1180 | T1177-G1179 PolarHBondContact O-N 2.86Å; T1177-E1180 WeakPolarHBondContact O-CB 3.2Å; T1177-E1180 PolarHBondContact O-N 2.7Å |
| 1178 | E | 91.9 | Very high | 88 | Confident | 18 Ų | 18 | 39.8 Ų | 39.8 | 8% | 0.084 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -43.3 | 128.5 | 171.6 | -177.3 | 175.9 | 157.7 | 0 | 0 | 113 | E1119 W1150 K1151 G1152 R1153 E1180 I1195 | E1119-E1178 WeakPolarHBondContact CB-OE2 3.47Å; W1150-E1178 HydrophobicContact CH2-CB 4.31Å; W1150-E1178 HydrophobicContact CH2-CG 4.38Å; W1150-E1178 HydrophobicContact CZ2-CB 3.77Å; W1150-E1178 HydrophobicContact CZ2-CG 3.83Å; K1151-E1178 PolarHBondContact O-N 3.42Å; G1152-E1178 WeakPolarHBondContact CA-OE2 3.16Å; R1153-E1178 WeakPolarHBondContact CD-OE1 3.34Å; R1153-E1178 WeakPolarHBondContact CG-OE2 3.33Å; R1153-E1178 PolarHBondContact N-OE2 2.67Å; E1178-E1180 VanDerWaalsContact C-N 3.31Å; E1178-E1180 PolarHBondContact O-N 2.87Å; E1178-I1195 HydrophobicContact CG-CD1 4.25Å; E1178-I1195 HydrophobicContact CG-CG2 4.48Å |
| 1179 | G | 87.8 | Confident | 89.2 | Confident | 8 Ų | 8 | 33.6 Ų | 33.6 | 8% | 0.082 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | -11.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | T1177 E1181 | T1177-G1179 PolarHBondContact O-N 2.86Å; G1179-E1181 WeakPolarHBondContact CA-OE2 3.34Å; G1179-E1181 VanDerWaalsContact N-CD 3.32Å; G1179-E1181 PolarHBondContact N-OE1 2.97Å; G1179-E1181 PolarHBondContact N-OE2 3.14Å; G1179-E1181 VanDerWaalsContact N-OE2 3.09Å |
| 1180 | E | 89.7 | Confident | 90.4 | Very high | 58 Ų | 58 | 31 Ų | 31 | 27% | 0.271 | 17% | 0.168 | S | C | . | . | trans | -101.9 | 20.9 | 176.7 | -67.5 | -67.5 | 103.8 | 0 | 0 | 112.9 | T1177 E1178 P1182 P1347 K1363 | T1177-E1180 WeakPolarHBondContact O-CB 3.2Å; T1177-E1180 PolarHBondContact O-N 2.7Å; E1178-E1180 VanDerWaalsContact C-N 3.31Å; E1178-E1180 PolarHBondContact O-N 2.87Å; E1180-P1182 WeakPolarHBondContact O-CD 3.35Å; E1180-P1347 HydrophobicContact CB-CG 4.39Å; E1180-K1363 WeakPolarHBondContact OE1-CE 3.38Å; E1180-K1363 IonicContact OE1-NZ 3.31Å; E1180-K1363 PolarHBondContact OE1-NZ 3.16Å; E1180-K1363 WeakPolarHBondContact OE2-CE 3.49Å; E1180-K1363 IonicContact OE2-NZ 3.93Å; E1180-K1363 PolarHBondContact OE2-NZ 2.73Å | ||
| 1181 | E | 93.2 | Very high | 91.3 | Very high | 9 Ų | 9 | 30.3 Ų | 30.3 | 4% | 0.042 | 16% | 0.163 | C | C | . | . | trans | -62 | 119.3 | -177.1 | -62.8 | 81 | -168.6 | 0 | 0 | 112 | W1150 I1176 G1179 F1185 L1186 M1193 | W1150-E1181 PolarHBondContact NE1-OE1 2.98Å; I1176-E1181 HydrophobicContact CG2-CG 4.13Å; G1179-E1181 WeakPolarHBondContact CA-OE2 3.34Å; G1179-E1181 VanDerWaalsContact N-CD 3.32Å; G1179-E1181 PolarHBondContact N-OE1 2.97Å; G1179-E1181 PolarHBondContact N-OE2 3.14Å; G1179-E1181 VanDerWaalsContact N-OE2 3.09Å; E1181-F1185 HydrophobicContact CB-CD1 3.84Å; E1181-F1185 HydrophobicContact CB-CE1 4.42Å; E1181-F1185 HydrophobicContact CG-CD1 3.67Å; E1181-F1185 HydrophobicContact CG-CE1 3.73Å; E1181-L1186 HydrophobicContact CB-CD1 4.29Å; E1181-L1186 HydrophobicContact CB-CD2 3.57Å; E1181-L1186 HydrophobicContact CB-CG 3.73Å; E1181-L1186 HydrophobicContact CG-CD2 4.03Å; E1181-M1193 HydrophobicContact CG-CE 4Å | ||
| 1182 | P | 92.9 | Very high | 92.3 | Very high | 10 Ų | 10 | 27.1 Ų | 27.1 | 7% | 0.065 | 14% | 0.142 | C | C | . | . | trans | -69.4 | 154.3 | 173.6 | 30.3 | -34.1 | 0 | 0 | 0 | 110.2 | V1067 I1176 E1180 C1184 F1185 L1186 | V1067-P1182 HydrophobicContact CG2-CB 3.8Å; V1067-P1182 HydrophobicContact CG2-CG 3.91Å; I1176-P1182 HydrophobicContact CD1-CG 4.14Å; E1180-P1182 WeakPolarHBondContact O-CD 3.35Å; P1182-C1184 PolarHBondContact O-N 2.69Å; P1182-C1184 VanDerWaalsContact O-N 3.11Å; P1182-F1185 HydrophobicContact CG-CB 3.97Å; P1182-F1185 WeakPolarHBondContact O-CB 3.23Å; P1182-F1185 PolarHBondContact O-N 3.2Å; P1182-L1186 PolarHBondContact O-N 2.7Å | ||
| 1183 | A | 92.8 | Very high | 92.8 | Very high | 4 Ų | 4 | 26.3 Ų | 26.3 | 3% | 0.033 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -55.5 | -34.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R1076 F1185 L1186 Q1187 | R1076-A1183 HydrophobicContact CB-CB 4.33Å; R1076-A1183 HydrophobicContact CG-CB 3.94Å; A1183-F1185 VanDerWaalsContact C-N 3.29Å; A1183-F1185 PolarHBondContact O-N 2.66Å; A1183-L1186 PolarHBondContact O-N 3.48Å; A1183-Q1187 VanDerWaalsContact O-CG 3.25Å; A1183-Q1187 WeakPolarHBondContact O-CG 3.32Å; A1183-Q1187 PolarHBondContact O-N 2.83Å |
| 1184 | C | 93.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.6 | -25.1 | 176.6 | 62.4 | 0 | 0 | 0 | 0 | 114.5 | V1074 R1076 P1182 Q1187 L1188 | V1074-C1184 HydrophobicContact CG2-CB 4Å; R1076-C1184 WeakPolarHBondContact O-CA 3.2Å; P1182-C1184 PolarHBondContact O-N 2.69Å; P1182-C1184 VanDerWaalsContact O-N 3.11Å; C1184-Q1187 WeakPolarHBondContact O-CG 3.47Å; C1184-Q1187 PolarHBondContact O-NE2 3.13Å; C1184-L1188 WeakPolarHBondContact O-CG 3.43Å |
| 1185 | F | 95.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -83.1 | -47.4 | 174 | 177.1 | -95.1 | 0 | 0 | 0 | 111.2 | L1117 I1125 F1148 W1150 I1176 E1181 P1182 A1183 Q1187 L1188 F1189 M1193 | L1117-F1185 HydrophobicContact CD1-CZ 4.43Å; I1125-F1185 HydrophobicContact CB-CE2 4.23Å; I1125-F1185 HydrophobicContact CD1-CE2 3.88Å; I1125-F1185 HydrophobicContact CD1-CZ 4.11Å; I1125-F1185 HydrophobicContact CG1-CE2 3.98Å; I1125-F1185 HydrophobicContact CG1-CZ 4.37Å; F1148-F1185 HydrophobicContact CB-CD2 3.75Å; F1148-F1185 HydrophobicContact CB-CE2 3.81Å; F1148-F1185 HydrophobicContact CD1-CD2 4.19Å; F1148-F1185 AromaticContact CD2-CD2 3.96Å; F1148-F1185 HydrophobicContact CD2-CD2 3.96Å; F1148-F1185 AromaticContact CG-CD2 3.71Å; F1148-F1185 HydrophobicContact CG-CD2 3.71Å; F1148-F1185 HydrophobicContact CG-CE2 4.28Å; W1150-F1185 HydrophobicContact CB-CE2 4.45Å; W1150-F1185 HydrophobicContact CB-CZ 3.97Å; W1150-F1185 AromaticContact CD1-CE1 3.73Å; W1150-F1185 AromaticContact CD1-CZ 3.66Å; W1150-F1185 HydrophobicContact CG-CE1 4.5Å; W1150-F1185 HydrophobicContact CG-CZ 4.02Å; I1176-F1185 HydrophobicContact CD1-CB 3.89Å; I1176-F1185 HydrophobicContact CD1-CD1 4.24Å; I1176-F1185 HydrophobicContact CD1-CD2 3.51Å; I1176-F1185 HydrophobicContact CD1-CE2 4.01Å; I1176-F1185 HydrophobicContact CD1-CG 3.62Å; E1181-F1185 HydrophobicContact CB-CD1 3.84Å; E1181-F1185 HydrophobicContact CB-CE1 4.42Å; E1181-F1185 HydrophobicContact CG-CD1 3.67Å; E1181-F1185 HydrophobicContact CG-CE1 3.73Å; P1182-F1185 HydrophobicContact CG-CB 3.97Å; P1182-F1185 WeakPolarHBondContact O-CB 3.23Å; P1182-F1185 PolarHBondContact O-N 3.2Å; A1183-F1185 VanDerWaalsContact C-N 3.29Å; A1183-F1185 PolarHBondContact O-N 2.66Å; F1185-Q1187 VanDerWaalsContact C-N 3.27Å; F1185-Q1187 PolarHBondContact O-N 3.47Å; F1185-L1188 HydrophobicContact CD2-CD1 4.31Å; F1185-L1188 VanDerWaalsContact O-CB 3.27Å; F1185-L1188 WeakPolarHBondContact O-CB 3.47Å; F1185-L1188 VanDerWaalsContact O-CG 3.28Å; F1185-L1188 WeakPolarHBondContact O-CG 3.46Å; F1185-L1188 PolarHBondContact O-N 2.87Å; F1185-L1188 VanDerWaalsContact O-N 3.07Å; F1185-F1189 HydrophobicContact CD1-CE2 4.02Å; F1185-F1189 AromaticContact CE1-CE2 3.69Å; F1185-F1189 HydrophobicContact CE1-CE2 3.69Å; F1185-F1189 HydrophobicContact CE1-CZ 4.31Å; F1185-F1189 HydrophobicContact CE2-CE2 4.28Å; F1185-F1189 HydrophobicContact CE2-CZ 4.27Å; F1185-F1189 HydrophobicContact CG-CE2 4.48Å; F1185-F1189 AromaticContact CZ-CE2 3.83Å; F1185-F1189 HydrophobicContact CZ-CE2 3.83Å; F1185-F1189 AromaticContact CZ-CZ 3.99Å; F1185-F1189 HydrophobicContact CZ-CZ 3.99Å; F1185-F1189 WeakPolarHBondContact O-CE2 3.4Å; F1185-M1193 HydrophobicContact CE1-CE 4.46Å; F1185-M1193 HydrophobicContact CE1-SD 4.05Å |
| 1186 | L | 95.5 | Very high | 93.5 | Very high | 4 Ų | 4 | 15.5 Ų | 15.5 | 2% | 0.021 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -57 | -40.4 | -178.6 | -68.6 | 173.1 | 0 | 0 | 0 | 112.7 | E1181 P1182 A1183 L1188 F1189 M1193 E1219 C1348 | E1181-L1186 HydrophobicContact CB-CD1 4.29Å; E1181-L1186 HydrophobicContact CB-CD2 3.57Å; E1181-L1186 HydrophobicContact CB-CG 3.73Å; E1181-L1186 HydrophobicContact CG-CD2 4.03Å; P1182-L1186 PolarHBondContact O-N 2.7Å; A1183-L1186 PolarHBondContact O-N 3.48Å; L1186-L1188 VanDerWaalsContact C-N 3.27Å; L1186-L1188 PolarHBondContact O-N 3.29Å; L1186-F1189 PolarHBondContact O-N 2.78Å; L1186-M1193 HydrophobicContact CD2-CE 4.32Å; L1186-M1193 HydrophobicContact CD2-SD 3.66Å; L1186-E1219 HydrophobicContact CB-CB 4.05Å; L1186-E1219 HydrophobicContact CD1-CB 4.49Å; L1186-C1348 HydrophobicContact CD1-CB 3.45Å; L1186-C1348 VanDerWaalsContact CD1-CB 3.45Å |
| 1187 | Q | 94.8 | Very high | 93.4 | Very high | 4 Ų | 4 | 19.8 Ų | 19.8 | 2% | 0.019 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -69.7 | -16.1 | -179.9 | 65 | 115.5 | 39.9 | 0 | 0 | 114.9 | R1076 G1077 A1183 C1184 F1185 F1189 Q1190 I1218 E1219 | R1076-Q1187 WeakPolarHBondContact O-CG 2.99Å; G1077-Q1187 PolarHBondContact O-NE2 2.83Å; G1077-Q1187 PolarHBondContact O-OE1 3.15Å; A1183-Q1187 VanDerWaalsContact O-CG 3.25Å; A1183-Q1187 WeakPolarHBondContact O-CG 3.32Å; A1183-Q1187 PolarHBondContact O-N 2.83Å; C1184-Q1187 WeakPolarHBondContact O-CG 3.47Å; C1184-Q1187 PolarHBondContact O-NE2 3.13Å; F1185-Q1187 VanDerWaalsContact C-N 3.27Å; F1185-Q1187 PolarHBondContact O-N 3.47Å; Q1187-F1189 PolarHBondContact O-N 3.3Å; Q1187-Q1190 PolarHBondContact O-N 2.68Å; Q1187-Q1190 PolarHBondContact O-NE2 3.25Å; Q1187-I1218 WeakPolarHBondContact CA-O 3.28Å; Q1187-I1218 HydrophobicContact CB-CD1 4.12Å; Q1187-I1218 HydrophobicContact CB-CG1 4.22Å; Q1187-E1219 HydrophobicContact CB-CG 4.13Å |
| 1188 | L | 95.5 | Very high | 92.4 | Very high | 12 Ų | 12 | 21.7 Ų | 21.7 | 6% | 0.063 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -59.5 | -31.5 | 175.6 | -59.5 | -178.1 | 0 | 0 | 0 | 111.7 | V1096 I1125 W1127 F1148 C1184 F1185 L1186 | V1096-L1188 HydrophobicContact CG1-CB 4.43Å; V1096-L1188 HydrophobicContact CG2-CB 4.12Å; V1096-L1188 HydrophobicContact CG2-CD2 4.12Å; I1125-L1188 HydrophobicContact CG2-CD1 4.19Å; W1127-L1188 HydrophobicContact CB-CD1 4.23Å; W1127-L1188 HydrophobicContact CB-CD2 4.48Å; W1127-L1188 VanDerWaalsContact CD1-CD2 3.41Å; W1127-L1188 HydrophobicContact CD2-CD2 3.89Å; W1127-L1188 HydrophobicContact CG-CD1 4.28Å; W1127-L1188 HydrophobicContact CG-CD2 3.71Å; W1127-L1188 HydrophobicContact CZ2-CD2 4.37Å; W1127-L1188 VanDerWaalsContact NE1-CD2 3.34Å; F1148-L1188 HydrophobicContact CD2-CD1 4.03Å; F1148-L1188 HydrophobicContact CE2-CD1 3.91Å; C1184-L1188 WeakPolarHBondContact O-CG 3.43Å; F1185-L1188 HydrophobicContact CD2-CD1 4.31Å; F1185-L1188 VanDerWaalsContact O-CB 3.27Å; F1185-L1188 WeakPolarHBondContact O-CB 3.47Å; F1185-L1188 VanDerWaalsContact O-CG 3.28Å; F1185-L1188 WeakPolarHBondContact O-CG 3.46Å; F1185-L1188 PolarHBondContact O-N 2.87Å; F1185-L1188 VanDerWaalsContact O-N 3.07Å; L1186-L1188 VanDerWaalsContact C-N 3.27Å; L1186-L1188 PolarHBondContact O-N 3.29Å |
| 1189 | F | 95.2 | Very high | 90.6 | Very high | 6 Ų | 6 | 29.2 Ų | 29.2 | 3% | 0.026 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -91 | -4.1 | 179.3 | -47 | -66.9 | 0 | 0 | 0 | 112.7 | L1114 G1115 I1125 F1185 L1186 Q1187 G1191 G1192 M1193 | L1114-F1189 HydrophobicContact CD1-CD1 4.19Å; L1114-F1189 HydrophobicContact CD1-CE1 4.03Å; L1114-F1189 HydrophobicContact CG-CD1 4.17Å; L1114-F1189 HydrophobicContact CG-CE1 4.5Å; G1115-F1189 VanDerWaalsContact CA-CE1 3.47Å; I1125-F1189 HydrophobicContact CG1-CZ 4.48Å; I1125-F1189 HydrophobicContact CG2-CZ 4.44Å; F1185-F1189 HydrophobicContact CD1-CE2 4.02Å; F1185-F1189 AromaticContact CE1-CE2 3.69Å; F1185-F1189 HydrophobicContact CE1-CE2 3.69Å; F1185-F1189 HydrophobicContact CE1-CZ 4.31Å; F1185-F1189 HydrophobicContact CE2-CE2 4.28Å; F1185-F1189 HydrophobicContact CE2-CZ 4.27Å; F1185-F1189 HydrophobicContact CG-CE2 4.48Å; F1185-F1189 AromaticContact CZ-CE2 3.83Å; F1185-F1189 HydrophobicContact CZ-CE2 3.83Å; F1185-F1189 AromaticContact CZ-CZ 3.99Å; F1185-F1189 HydrophobicContact CZ-CZ 3.99Å; F1185-F1189 WeakPolarHBondContact O-CE2 3.4Å; L1186-F1189 PolarHBondContact O-N 2.78Å; Q1187-F1189 PolarHBondContact O-N 3.3Å; F1189-G1191 PolarHBondContact O-N 3.16Å; F1189-G1192 PolarHBondContact O-N 2.93Å; F1189-M1193 HydrophobicContact CB-CB 3.9Å; F1189-M1193 HydrophobicContact CD2-CB 3.77Å; F1189-M1193 HydrophobicContact CD2-CG 4.01Å; F1189-M1193 HydrophobicContact CD2-SD 3.9Å; F1189-M1193 HydrophobicContact CE2-CG 4.43Å; F1189-M1193 HydrophobicContact CE2-SD 4.02Å; F1189-M1193 HydrophobicContact CG-CB 3.97Å; F1189-M1193 HydrophobicContact CG-CG 4.5Å |
| 1190 | Q | 94.9 | Very high | 88.7 | Confident | 75 Ų | 75 | 32.7 Ų | 32.7 | 35% | 0.35 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 39 | 177.7 | -64.1 | -69.3 | -28.9 | 0 | 0 | 113.2 | Q1187 I1218 H1266 R1270 | Q1187-Q1190 PolarHBondContact O-N 2.68Å; Q1187-Q1190 PolarHBondContact O-NE2 3.25Å; Q1190-I1218 CarbonylContact C-O 3.54Å; Q1190-I1218 WeakPolarHBondContact CA-O 3.39Å; Q1190-H1266 PolarHBondContact O-NE2 3.04Å; Q1190-R1270 VanDerWaalsContact O-CD 3.29Å; Q1190-R1270 WeakPolarHBondContact O-CD 3.44Å; Q1190-R1270 WeakPolarHBondContact O-CG 3.49Å; Q1190-R1270 PolarHBondContact O-NE 3.22Å |
| 1191 | G | 94.8 | Very high | 86.3 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | 10.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | F1189 I1218 G1220 T1267 | F1189-G1191 PolarHBondContact O-N 3.16Å; G1191-I1218 PolarHBondContact N-O 3.06Å; G1191-G1220 CarbonylContact C-O 3.57Å; G1191-G1220 WeakPolarHBondContact CA-O 3.24Å; G1191-T1267 WeakPolarHBondContact O-CA 3.25Å |
| 1192 | G | 94.3 | Very high | 84.1 | Confident | 6 Ų | 6 | 41.2 Ų | 41.2 | 6% | 0.062 | 21% | 0.211 | C | C | . | . | trans | -100.4 | 5.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q1116 F1189 | Q1116-G1192 PolarHBondContact NE2-O 3.12Å; Q1116-G1192 VanDerWaalsContact NE2-O 3.09Å; F1189-G1192 PolarHBondContact O-N 2.93Å | ||
| 1193 | M | 96.3 | Very high | 81.8 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 130.9 | -177.1 | -176.7 | 179.3 | 146.5 | 0 | 0 | 111.7 | G1115 L1117 E1181 F1185 L1186 F1189 I1195 S1221 L1222 | G1115-M1193 WeakPolarHBondContact O-CA 3.49Å; L1117-M1193 HydrophobicContact CD1-CE 4.18Å; E1181-M1193 HydrophobicContact CG-CE 4Å; F1185-M1193 HydrophobicContact CE1-CE 4.46Å; F1185-M1193 HydrophobicContact CE1-SD 4.05Å; L1186-M1193 HydrophobicContact CD2-CE 4.32Å; L1186-M1193 HydrophobicContact CD2-SD 3.66Å; F1189-M1193 HydrophobicContact CB-CB 3.9Å; F1189-M1193 HydrophobicContact CD2-CB 3.77Å; F1189-M1193 HydrophobicContact CD2-CG 4.01Å; F1189-M1193 HydrophobicContact CD2-SD 3.9Å; F1189-M1193 HydrophobicContact CE2-CG 4.43Å; F1189-M1193 HydrophobicContact CE2-SD 4.02Å; F1189-M1193 HydrophobicContact CG-CB 3.97Å; F1189-M1193 HydrophobicContact CG-CG 4.5Å; M1193-I1195 HydrophobicContact CE-CD1 3.58Å; M1193-I1195 HydrophobicContact CE-CG1 3.58Å; M1193-S1221 WeakPolarHBondContact O-CA 3.37Å; M1193-L1222 PolarHBondContact O-N 3.38Å |
| 1194 | V | 95.7 | Very high | 79.5 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 128.9 | 175.8 | -168.2 | 0 | 0 | 0 | 0 | 109.3 | G1115 L1117 Y1196 F1210 L1222 L1271 | G1115-V1194 PolarHBondContact O-N 3.25Å; L1117-V1194 PolarHBondContact N-O 2.94Å; V1194-Y1196 HydrophobicContact CB-CE1 4.26Å; V1194-Y1196 HydrophobicContact CB-CE2 4.28Å; V1194-Y1196 HydrophobicContact CG1-CD1 3.92Å; V1194-Y1196 HydrophobicContact CG1-CE1 3.36Å; V1194-Y1196 HydrophobicContact CG1-CE2 4.2Å; V1194-F1210 HydrophobicContact CG1-CD1 3.97Å; V1194-F1210 HydrophobicContact CG1-CE1 3.63Å; V1194-L1222 CarbonylContact C-O 3.55Å; V1194-L1222 WeakPolarHBondContact CA-O 3.42Å; V1194-L1222 HydrophobicContact CB-CB 4.48Å; V1194-L1222 HydrophobicContact CG1-CB 4.11Å; V1194-L1222 HydrophobicContact CG2-CB 4.26Å; V1194-L1222 HydrophobicContact CG2-CD1 4.26Å; V1194-L1271 HydrophobicContact CG2-CD1 3.88Å |
| 1195 | I | 94.7 | Very high | 77.5 | Confident | 6 Ų | 6 | 60.5 Ų | 60.5 | 3% | 0.031 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 117.6 | 170.4 | -58 | 164.3 | 0 | 0 | 0 | 107.4 | W1150 E1178 M1193 L1222 L1223 E1224 | W1150-I1195 HydrophobicContact CH2-CG2 4.28Å; W1150-I1195 HydrophobicContact CZ2-CD1 4.24Å; W1150-I1195 HydrophobicContact CZ2-CG1 4.12Å; W1150-I1195 HydrophobicContact CZ2-CG2 4.37Å; E1178-I1195 HydrophobicContact CG-CD1 4.25Å; E1178-I1195 HydrophobicContact CG-CG2 4.48Å; M1193-I1195 HydrophobicContact CE-CD1 3.58Å; M1193-I1195 HydrophobicContact CE-CG1 3.58Å; I1195-L1222 PolarHBondContact N-O 2.78Å; I1195-L1223 HydrophobicContact CB-CD1 3.93Å; I1195-L1223 HydrophobicContact CD1-CD1 4.26Å; I1195-L1223 HydrophobicContact CG2-CD1 3.89Å; I1195-E1224 WeakPolarHBondContact O-CB 3.31Å; I1195-E1224 PolarHBondContact O-N 3Å |
| 1196 | Y | 92.8 | Very high | 76.4 | Confident | 12 Ų | 12 | 61.4 Ų | 61.4 | 5% | 0.047 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 143.5 | 177.1 | -62.6 | -58.6 | 0 | 0 | 0 | 111.9 | Q1116 L1117 E1119 V1194 F1210 E1224 E1278 L1279 | Q1116-Y1196 HydrophobicContact CB-CE2 4.05Å; Q1116-Y1196 PolarHBondContact OE1-OH 3.36Å; L1117-Y1196 WeakPolarHBondContact O-CD2 3.43Å; L1117-Y1196 PolarHBondContact O-N 3.31Å; E1119-Y1196 PolarHBondContact N-O 3.09Å; V1194-Y1196 HydrophobicContact CB-CE1 4.26Å; V1194-Y1196 HydrophobicContact CB-CE2 4.28Å; V1194-Y1196 HydrophobicContact CG1-CD1 3.92Å; V1194-Y1196 HydrophobicContact CG1-CE1 3.36Å; V1194-Y1196 HydrophobicContact CG1-CE2 4.2Å; Y1196-F1210 HydrophobicContact CD1-CE1 4.03Å; Y1196-F1210 HydrophobicContact CD1-CZ 4.43Å; Y1196-F1210 AromaticContact CE1-CE1 3.87Å; Y1196-F1210 HydrophobicContact CE1-CE1 3.87Å; Y1196-F1210 HydrophobicContact CE1-CZ 4.06Å; Y1196-E1224 WeakPolarHBondContact CA-OE2 3.44Å; Y1196-E1224 WeakPolarHBondContact CD1-OE2 3.48Å; Y1196-E1278 HydrophobicContact CD2-CB 4.44Å; Y1196-E1278 HydrophobicContact CE2-CB 3.61Å; Y1196-E1278 HydrophobicContact CE2-CG 3.97Å; Y1196-L1279 HydrophobicContact CE1-CD2 3.62Å; Y1196-L1279 HydrophobicContact CE1-CG 4.42Å; Y1196-L1279 WeakPolarHBondContact OH-CG 3.33Å |
| 1197 | R | 87.8 | Confident | 76 | Confident | 99 Ų | 99 | 64 Ų | 64 | 37% | 0.374 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 170.1 | 168.5 | -160.8 | 175 | 166.2 | 147.4 | 4.3 | 109.8 | N1118 E1119 Q1199 E1224 E1443 | N1118-R1197 PolarHBondContact ND2-O 3.01Å; E1119-R1197 WeakPolarHBondContact OE1-CA 3.36Å; E1119-R1197 WeakPolarHBondContact OE1-CG 3.41Å; R1197-Q1199 PolarHBondContact O-N 3.41Å; R1197-E1224 HydrophobicContact CB-CB 4.37Å; R1197-E1224 HydrophobicContact CB-CG 4.18Å; R1197-E1224 PolarHBondContact N-OE2 2.91Å; R1197-E1443 IonicContact CZ-OE1 3.39Å; R1197-E1443 IonicContact NH1-OE1 2.7Å; R1197-E1443 IonicContact NH2-OE1 2.76Å; R1197-E1443 PolarHBondContact NH2-OE1 2.81Å |
| 1198 | Q | 70.5 | Confident | 75.9 | Confident | 122 Ų | 122 | 66.1 Ų | 66.1 | 57% | 0.57 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -38.1 | 136.5 | 176.7 | -84.2 | 172.6 | 16.4 | 0 | 0 | 113.2 | E1119 | E1119-Q1198 WeakPolarHBondContact OE1-CG 3.25Å; E1119-Q1198 PolarHBondContact OE1-N 3.23Å |
| 1199 | Q | 54 | Low | 75.8 | Confident | 176 Ų | 176 | 65.6 Ų | 65.6 | 82% | 0.822 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -50 | 125.1 | -169.3 | -159.4 | 168 | 26.1 | 0 | 0 | 111.2 | R1197 S1201 | R1197-Q1199 PolarHBondContact O-N 3.41Å; Q1199-S1201 PolarHBondContact O-N 2.89Å |
| 1200 | P | 47.4 | Very low | 75.9 | Confident | 81 Ų | 81 | 65.3 Ų | 65.3 | 53% | 0.526 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 132.5 | -160.4 | 22.6 | -34 | 0 | 0 | 0 | 112.2 | I1202 | P1200-I1202 PolarHBondContact O-N 2.81Š|
| 1201 | S | 40.7 | Very low | 75.9 | Confident | 79 Ų | 79 | 61.8 Ų | 61.8 | 55% | 0.552 | 32% | 0.316 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 134.2 | 161.3 | 50.1 | 0 | 0 | 0 | 0 | 108.8 | Q1199 D1203 T1204 | Q1199-S1201 PolarHBondContact O-N 2.89Å; S1201-D1203 PolarHBondContact O-N 3.16Å; S1201-T1204 PolarHBondContact O-OG1 3.37Å |
| 1202 | I | 46.2 | Very low | 76.1 | Confident | 167 Ų | 167 | 62.3 Ų | 62.3 | 86% | 0.856 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -12 | -165.5 | -66.2 | 171.5 | 0 | 0 | 0 | 112.2 | P1200 | P1200-I1202 PolarHBondContact O-N 2.81Š|
| 1203 | D | 44.5 | Very low | 76.1 | Confident | 148 Ų | 148 | 63.7 Ų | 63.7 | 79% | 0.791 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 6.5 | -169.7 | -47.5 | -60.2 | 0 | 0 | 0 | 115.4 | S1201 | S1201-D1203 PolarHBondContact O-N 3.16Š|
| 1204 | T | 45.6 | Very low | 75.9 | Confident | 106 Ų | 106 | 64.5 Ų | 64.5 | 65% | 0.65 | 33% | 0.331 | S | S | * | . | trans | -98.3 | 94.6 | 177.3 | 43.8 | 0 | 0 | 0 | 0 | 113 | S1201 A1206 | S1201-T1204 PolarHBondContact O-OG1 3.37Å; T1204-A1206 PolarHBondContact O-N 3.2Å; T1204-A1206 VanDerWaalsContact O-N 3.12Å | ||
| 1205 | E | 50.5 | Low | 75.7 | Confident | 166 Ų | 166 | 64.7 Ų | 64.7 | 78% | 0.776 | 33% | 0.332 | S | S | * | . | trans | -65.1 | 111.9 | 173 | -70.2 | -165.1 | 137.7 | 0 | 0 | 112.6 | ||||
| 1206 | A | 71.9 | Confident | 75.7 | Confident | 19 Ų | 19 | 66.1 Ų | 66.1 | 16% | 0.157 | 34% | 0.341 | C | S | . | . | S | Bend | trans | 91 | -11.2 | 138.3 | 0 | 0 | 0 | 0 | 0 | 121.5 | T1204 N1242 Q1244 | T1204-A1206 PolarHBondContact O-N 3.2Å; T1204-A1206 VanDerWaalsContact O-N 3.12Å; A1206-N1242 WeakPolarHBondContact CB-ND2 3.23Å; A1206-N1242 VanDerWaalsContact O-CA 3.25Å; A1206-N1242 WeakPolarHBondContact O-CA 3.24Å; A1206-N1242 WeakPolarHBondContact O-CB 3.47Å; A1206-N1242 PolarHBondContact O-ND2 3.49Å; A1206-N1242 VanDerWaalsContact O-ND2 3.11Å; A1206-N1242 PolarHBondContact O-OD1 3.33Å; A1206-Q1244 HydrophobicContact CB-CG 4.43Å |
| 1207 | W | 88.5 | Confident | 75.9 | Confident | 58 Ų | 58 | 67.1 Ų | 67.1 | 22% | 0.22 | 35% | 0.349 | C | S | . | . | trans | -129.1 | 131.7 | 179.5 | -66.4 | 98.8 | 0 | 0 | 0 | 115.1 | L1240 N1242 T1247 Y1249 A1304 | W1207-L1240 HydrophobicContact CB-CD1 4.48Å; W1207-L1240 HydrophobicContact CE3-CD1 3.78Å; W1207-L1240 HydrophobicContact CE3-CD2 4.05Å; W1207-L1240 HydrophobicContact CE3-CG 3.64Å; W1207-L1240 HydrophobicContact CZ3-CD2 4.12Å; W1207-L1240 HydrophobicContact CZ3-CG 3.9Å; W1207-N1242 HydrophobicContact CD2-CB 3.81Å; W1207-N1242 VanDerWaalsContact CE2-ND2 3.25Å; W1207-N1242 HydrophobicContact CE3-CB 3.56Å; W1207-N1242 HydrophobicContact CH2-CB 3.48Å; W1207-N1242 VanDerWaalsContact CH2-CB 3.48Å; W1207-N1242 HydrophobicContact CZ2-CB 3.75Å; W1207-N1242 VanDerWaalsContact CZ2-ND2 3.31Å; W1207-N1242 WeakPolarHBondContact CZ2-ND2 3.34Å; W1207-N1242 HydrophobicContact CZ3-CB 3.4Å; W1207-T1247 HydrophobicContact CH2-CG2 4.42Å; W1207-Y1249 HydrophobicContact CH2-CD2 4.28Å; W1207-Y1249 AromaticContact CH2-CE2 3.66Å; W1207-Y1249 HydrophobicContact CH2-CE2 3.66Å; W1207-Y1249 HydrophobicContact CZ3-CD2 4.02Å; W1207-Y1249 AromaticContact CZ3-CE2 3.88Å; W1207-Y1249 HydrophobicContact CZ3-CE2 3.88Å; W1207-A1304 HydrophobicContact CB-CB 4.4Å; W1207-A1304 HydrophobicContact CD2-CB 3.28Å; W1207-A1304 VanDerWaalsContact CE2-CB 3.43Å; W1207-A1304 HydrophobicContact CE3-CB 3.69Å; W1207-A1304 HydrophobicContact CG-CB 3.6Å; W1207-A1304 HydrophobicContact CH2-CB 4.36Å; W1207-A1304 HydrophobicContact CZ2-CB 3.99Å; W1207-A1304 HydrophobicContact CZ3-CB 4.21Å | ||
| 1208 | R | 91.6 | Very high | 76.2 | Confident | 49 Ų | 49 | 64 Ų | 64 | 19% | 0.185 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 138.1 | 176.4 | -59.4 | 178.3 | 74.6 | 170.6 | 5.4 | 110.2 | F1210 E1224 L1241 E1278 | R1208-F1210 HydrophobicContact CB-CE2 3.72Å; R1208-F1210 HydrophobicContact CB-CZ 4.1Å; R1208-E1224 IonicContact CZ-OE1 3.02Å; R1208-E1224 VanDerWaalsContact CZ-OE1 3.25Å; R1208-E1224 IonicContact CZ-OE2 3.27Å; R1208-E1224 IonicContact NE-OE1 2.66Å; R1208-E1224 PolarHBondContact NE-OE1 3.31Å; R1208-E1224 VanDerWaalsContact NH2-CD 3.27Å; R1208-E1224 IonicContact NH2-OE1 2.7Å; R1208-E1224 PolarHBondContact NH2-OE1 3.27Å; R1208-E1224 IonicContact NH2-OE2 3.84Å; R1208-E1224 PolarHBondContact NH2-OE2 3.31Å; R1208-L1241 PolarHBondContact N-O 3.06Å; R1208-L1241 PolarHBondContact O-N 2.85Å; R1208-E1278 PolarHBondContact NH1-O 2.8Å |
| 1209 | L | 94.2 | Very high | 77.4 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 130.2 | -177.1 | -175.6 | 64.9 | 0 | 0 | 0 | 110.3 | V1225 C1227 L1238 L1240 I1305 | L1209-V1225 HydrophobicContact CB-CG2 4.18Å; L1209-V1225 HydrophobicContact CD2-CG2 3.97Å; L1209-V1225 HydrophobicContact CG-CG2 3.78Å; L1209-V1225 WeakPolarHBondContact O-CG2 3.44Å; L1209-V1225 PolarHBondContact O-N 3.39Å; L1209-C1227 HydrophobicContact CB-CB 4.09Å; L1209-L1238 HydrophobicContact CD1-CB 4.04Å; L1209-L1238 HydrophobicContact CD1-CD2 3.99Å; L1209-L1238 HydrophobicContact CD2-CD2 4.03Å; L1209-L1238 HydrophobicContact CG-CD2 3.97Å; L1209-L1240 HydrophobicContact CB-CD1 4.36Å; L1209-L1240 HydrophobicContact CD1-CB 3.92Å; L1209-L1240 HydrophobicContact CD1-CD1 4.16Å; L1209-I1305 HydrophobicContact CD1-CD1 4.31Å; L1209-I1305 HydrophobicContact CD2-CD1 4.29Å |
| 1210 | F | 96.2 | Very high | 79.4 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 0% | 0.004 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 135 | -179.9 | -57.4 | -94.2 | 0 | 0 | 0 | 111 | V1194 Y1196 R1208 L1222 L1223 E1224 L1238 V1239 L1241 L1279 | V1194-F1210 HydrophobicContact CG1-CD1 3.97Å; V1194-F1210 HydrophobicContact CG1-CE1 3.63Å; Y1196-F1210 HydrophobicContact CD1-CE1 4.03Å; Y1196-F1210 HydrophobicContact CD1-CZ 4.43Å; Y1196-F1210 AromaticContact CE1-CE1 3.87Å; Y1196-F1210 HydrophobicContact CE1-CE1 3.87Å; Y1196-F1210 HydrophobicContact CE1-CZ 4.06Å; R1208-F1210 HydrophobicContact CB-CE2 3.72Å; R1208-F1210 HydrophobicContact CB-CZ 4.1Å; F1210-L1222 HydrophobicContact CB-CB 4.08Å; F1210-L1222 HydrophobicContact CB-CD2 4.39Å; F1210-L1222 HydrophobicContact CD1-CB 4.15Å; F1210-L1222 HydrophobicContact CG-CB 4.35Å; F1210-L1223 CarbonylContact C-O 3.55Å; F1210-L1223 VanDerWaalsContact CA-O 3.29Å; F1210-L1223 WeakPolarHBondContact CA-O 3.34Å; F1210-E1224 HydrophobicContact CD1-CB 3.84Å; F1210-E1224 HydrophobicContact CD1-CG 4.36Å; F1210-E1224 HydrophobicContact CE1-CB 3.71Å; F1210-E1224 HydrophobicContact CE1-CG 4.01Å; F1210-E1224 HydrophobicContact CZ-CG 4.48Å; F1210-L1238 CarbonylContact O-C 3.58Å; F1210-L1238 WeakPolarHBondContact O-CA 3.47Å; F1210-L1238 WeakPolarHBondContact O-CB 3.32Å; F1210-V1239 HydrophobicContact CB-CB 4.37Å; F1210-V1239 PolarHBondContact N-O 2.92Å; F1210-V1239 PolarHBondContact O-N 2.76Å; F1210-L1241 HydrophobicContact CE2-CB 4.47Å; F1210-L1241 HydrophobicContact CE2-CD2 4.4Å; F1210-L1279 HydrophobicContact CE2-CD2 4.33Å; F1210-L1279 HydrophobicContact CZ-CD2 3.78Å |
| 1211 | C | 96.8 | Very high | 81.7 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 125.9 | 172 | -165.7 | 0 | 0 | 0 | 0 | 109.6 | L1223 V1225 M1357 P1440 | C1211-L1223 PolarHBondContact N-O 3.02Å; C1211-L1223 PolarHBondContact O-N 2.7Å; C1211-V1225 HydrophobicContact CB-CG1 3.83Å; C1211-V1225 HydrophobicContact CB-CG2 4.44Å; C1211-M1357 VanDerWaalsContact SG-CE 3.56Å; C1211-P1440 HydrophobicContact CB-CB 4.44Å |
| 1212 | V | 97.4 | Very high | 84.4 | Confident | 13 Ų | 13 | 42.7 Ų | 42.7 | 8% | 0.079 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 127.9 | -178.6 | -175.3 | 0 | 0 | 0 | 0 | 110.4 | L1222 S1237 V1239 V1263 A1264 T1267 | V1212-L1222 HydrophobicContact CB-CD2 4.43Å; V1212-L1222 HydrophobicContact CG2-CD2 3.75Å; V1212-S1237 WeakPolarHBondContact CB-O 3.49Å; V1212-S1237 WeakPolarHBondContact CG2-O 3.44Å; V1212-S1237 PolarHBondContact N-O 2.92Å; V1212-V1239 HydrophobicContact CG2-CG2 3.9Å; V1212-V1263 HydrophobicContact CG1-CG1 4Å; V1212-A1264 HydrophobicContact CB-CB 4.22Å; V1212-A1264 HydrophobicContact CG1-CB 3.9Å; V1212-A1264 HydrophobicContact CG2-CB 3.85Å; V1212-T1267 HydrophobicContact CG1-CG2 4.46Å |
| 1213 | R | 95.4 | Very high | 86.7 | Confident | 34 Ų | 34 | 35.4 Ų | 35.4 | 13% | 0.128 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 168.9 | 173.8 | -53.3 | -165.5 | 76.7 | -155.9 | 1.8 | 111.4 | G1220 S1221 V1263 M1357 P1358 P1440 | R1213-G1220 WeakPolarHBondContact O-CA 3.3Å; R1213-S1221 PolarHBondContact N-O 3.37Å; R1213-S1221 PolarHBondContact O-N 3.29Å; R1213-S1221 VanDerWaalsContact O-N 3.08Å; R1213-V1263 WeakPolarHBondContact O-CG1 3.32Å; R1213-M1357 PolarHBondContact NH2-O 3.28Å; R1213-M1357 VanDerWaalsContact NH2-O 3.13Å; R1213-P1358 PolarHBondContact NH2-O 2.94Å; R1213-P1358 VanDerWaalsContact NH2-O 3.12Å; R1213-P1440 HydrophobicContact CG-CG 4.5Å |
| 1214 | G | 91.9 | Very high | 89.1 | Confident | 18 Ų | 18 | 29.8 Ų | 29.8 | 19% | 0.186 | 16% | 0.157 | C | C | . | . | trans | 105.5 | 146.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1215 | D | 91.5 | Very high | 91.4 | Very high | 5 Ų | 5 | 25.1 Ų | 25.1 | 3% | 0.027 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -94.5 | -23.1 | 178.3 | -84.2 | -16.4 | 0 | 0 | 0 | 113.1 | R1349 A1350 V1353 T1355 | D1215-R1349 WeakPolarHBondContact OD2-CA 3.4Å; D1215-A1350 HydrophobicContact CB-CB 3.74Å; D1215-A1350 PolarHBondContact OD2-N 2.99Å; D1215-V1353 HydrophobicContact CB-CB 4.22Å; D1215-V1353 HydrophobicContact CB-CG1 3.83Å; D1215-T1355 WeakPolarHBondContact OD1-CB 3.27Å; D1215-T1355 WeakPolarHBondContact OD1-CG2 3.39Å; D1215-T1355 PolarHBondContact OD1-OG1 2.81Å; D1215-T1355 PolarHBondContact OD2-OG1 2.83Å |
| 1216 | V | 93.9 | Very high | 93.2 | Very high | 35 Ų | 35 | 22.8 Ų | 22.8 | 21% | 0.212 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -130.8 | 138.2 | -172.4 | -173.1 | 0 | 0 | 0 | 0 | 109.3 | I1218 E1219 G1220 A1350 | V1216-I1218 PolarHBondContact O-N 3.31Å; V1216-E1219 HydrophobicContact CB-CB 4.42Å; V1216-E1219 HydrophobicContact CB-CG 4.39Å; V1216-E1219 CarbonylContact O-C 3.51Å; V1216-E1219 WeakPolarHBondContact O-CA 3.36Å; V1216-E1219 WeakPolarHBondContact O-CB 3.34Å; V1216-E1219 PolarHBondContact O-N 3.48Å; V1216-G1220 PolarHBondContact O-N 2.91Å; V1216-A1350 HydrophobicContact CG2-CB 4.07Å |
| 1217 | P | 96.6 | Very high | 94.1 | Very high | 34 Ų | 34 | 23.8 Ų | 23.8 | 22% | 0.221 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -52 | -46 | -168.2 | -33.6 | 38.3 | 0 | 0 | 0 | 116.7 | E1219 G1220 Q1262 H1266 | P1217-E1219 PolarHBondContact O-N 3.04Å; P1217-G1220 PolarHBondContact O-N 2.77Å; P1217-Q1262 HydrophobicContact CG-CB 4.48Å; P1217-H1266 HydrophobicContact CB-CB 3.72Å; P1217-H1266 PolarHBondContact O-CD2 3.1Å |
| 1218 | I | 95.5 | Very high | 94.1 | Very high | 33 Ų | 33 | 22 Ų | 22 | 17% | 0.169 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -73.9 | -11.9 | -179.9 | 74.3 | 169.7 | 0 | 0 | 0 | 113.8 | Q1187 Q1190 G1191 V1216 | Q1187-I1218 WeakPolarHBondContact CA-O 3.28Å; Q1187-I1218 HydrophobicContact CB-CD1 4.12Å; Q1187-I1218 HydrophobicContact CB-CG1 4.22Å; Q1190-I1218 CarbonylContact C-O 3.54Å; Q1190-I1218 WeakPolarHBondContact CA-O 3.39Å; G1191-I1218 PolarHBondContact N-O 3.06Å; V1216-I1218 PolarHBondContact O-N 3.31Å |
| 1219 | E | 95.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -100.7 | 12.6 | 175.6 | -61 | 159.2 | -153.2 | 0 | 0 | 111 | R1076 R1078 L1186 Q1187 V1216 P1217 | R1076-E1219 IonicContact CZ-OE1 3.68Å; R1076-E1219 IonicContact CZ-OE2 3.54Å; R1076-E1219 IonicContact NH1-OE1 2.6Å; R1076-E1219 PolarHBondContact NH1-OE1 3.12Å; R1076-E1219 IonicContact NH1-OE2 2.66Å; R1076-E1219 PolarHBondContact NH1-OE2 3.12Å; R1076-E1219 IonicContact NH2-OE2 2.64Å; R1078-E1219 IonicContact CZ-OE1 3.69Å; R1078-E1219 IonicContact NH2-OE1 3.37Å; R1078-E1219 PolarHBondContact NH2-OE1 3.48Å; L1186-E1219 HydrophobicContact CB-CB 4.05Å; L1186-E1219 HydrophobicContact CD1-CB 4.49Å; Q1187-E1219 HydrophobicContact CB-CG 4.13Å; V1216-E1219 HydrophobicContact CB-CB 4.42Å; V1216-E1219 HydrophobicContact CB-CG 4.39Å; V1216-E1219 CarbonylContact O-C 3.51Å; V1216-E1219 WeakPolarHBondContact O-CA 3.36Å; V1216-E1219 WeakPolarHBondContact O-CB 3.34Å; V1216-E1219 PolarHBondContact O-N 3.48Å; P1217-E1219 PolarHBondContact O-N 3.04Å |
| 1220 | G | 95.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -70.8 | 141.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | G1191 R1213 V1216 P1217 | G1191-G1220 CarbonylContact C-O 3.57Å; G1191-G1220 WeakPolarHBondContact CA-O 3.24Å; R1213-G1220 WeakPolarHBondContact O-CA 3.3Å; V1216-G1220 PolarHBondContact O-N 2.91Å; P1217-G1220 PolarHBondContact O-N 2.77Å | ||
| 1221 | S | 96.2 | Very high | 93.7 | Very high | 6 Ų | 6 | 22.9 Ų | 22.9 | 4% | 0.042 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 154.8 | 173.3 | 61.2 | 0 | 0 | 0 | 0 | 111.8 | M1193 R1213 | M1193-S1221 WeakPolarHBondContact O-CA 3.37Å; R1213-S1221 PolarHBondContact N-O 3.37Å; R1213-S1221 PolarHBondContact O-N 3.29Å; R1213-S1221 VanDerWaalsContact O-N 3.08Å |
| 1222 | L | 96.6 | Very high | 93.6 | Very high | 4 Ų | 4 | 22.9 Ų | 22.9 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 117.5 | 176 | -63.5 | -176.4 | 0 | 0 | 0 | 109.1 | M1193 V1194 I1195 F1210 V1212 V1239 L1271 | M1193-L1222 PolarHBondContact O-N 3.38Å; V1194-L1222 CarbonylContact C-O 3.55Å; V1194-L1222 WeakPolarHBondContact CA-O 3.42Å; V1194-L1222 HydrophobicContact CB-CB 4.48Å; V1194-L1222 HydrophobicContact CG1-CB 4.11Å; V1194-L1222 HydrophobicContact CG2-CB 4.26Å; V1194-L1222 HydrophobicContact CG2-CD1 4.26Å; I1195-L1222 PolarHBondContact N-O 2.78Å; F1210-L1222 HydrophobicContact CB-CB 4.08Å; F1210-L1222 HydrophobicContact CB-CD2 4.39Å; F1210-L1222 HydrophobicContact CD1-CB 4.15Å; F1210-L1222 HydrophobicContact CG-CB 4.35Å; V1212-L1222 HydrophobicContact CB-CD2 4.43Å; V1212-L1222 HydrophobicContact CG2-CD2 3.75Å; L1222-V1239 HydrophobicContact CD2-CG2 3.97Å; L1222-L1271 HydrophobicContact CD1-CD1 4.21Å; L1222-L1271 HydrophobicContact CD1-CD2 3.99Å |
| 1223 | L | 95.1 | Very high | 93.5 | Very high | 14 Ų | 14 | 22.5 Ų | 22.5 | 7% | 0.073 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 121.4 | 172.1 | 176.4 | 62.7 | 0 | 0 | 0 | 108.9 | I1195 F1210 C1211 L1360 P1440 | I1195-L1223 HydrophobicContact CB-CD1 3.93Å; I1195-L1223 HydrophobicContact CD1-CD1 4.26Å; I1195-L1223 HydrophobicContact CG2-CD1 3.89Å; F1210-L1223 CarbonylContact C-O 3.55Å; F1210-L1223 VanDerWaalsContact CA-O 3.29Å; F1210-L1223 WeakPolarHBondContact CA-O 3.34Å; C1211-L1223 PolarHBondContact N-O 3.02Å; C1211-L1223 PolarHBondContact O-N 2.7Å; L1223-L1360 HydrophobicContact CD2-CD2 4.21Å; L1223-P1440 HydrophobicContact CD2-CB 4.08Å |
| 1224 | E | 94.5 | Very high | 93.5 | Very high | 30 Ų | 30 | 21 Ų | 21 | 14% | 0.14 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 133.9 | 174.9 | -171.8 | 157.6 | -139.7 | 0 | 0 | 111.3 | I1195 Y1196 R1197 R1208 F1210 | I1195-E1224 WeakPolarHBondContact O-CB 3.31Å; I1195-E1224 PolarHBondContact O-N 3Å; Y1196-E1224 WeakPolarHBondContact CA-OE2 3.44Å; Y1196-E1224 WeakPolarHBondContact CD1-OE2 3.48Å; R1197-E1224 HydrophobicContact CB-CB 4.37Å; R1197-E1224 HydrophobicContact CB-CG 4.18Å; R1197-E1224 PolarHBondContact N-OE2 2.91Å; R1208-E1224 IonicContact CZ-OE1 3.02Å; R1208-E1224 VanDerWaalsContact CZ-OE1 3.25Å; R1208-E1224 IonicContact CZ-OE2 3.27Å; R1208-E1224 IonicContact NE-OE1 2.66Å; R1208-E1224 PolarHBondContact NE-OE1 3.31Å; R1208-E1224 VanDerWaalsContact NH2-CD 3.27Å; R1208-E1224 IonicContact NH2-OE1 2.7Å; R1208-E1224 PolarHBondContact NH2-OE1 3.27Å; R1208-E1224 IonicContact NH2-OE2 3.84Å; R1208-E1224 PolarHBondContact NH2-OE2 3.31Å; F1210-E1224 HydrophobicContact CD1-CB 3.84Å; F1210-E1224 HydrophobicContact CD1-CG 4.36Å; F1210-E1224 HydrophobicContact CE1-CB 3.71Å; F1210-E1224 HydrophobicContact CE1-CG 4.01Å; F1210-E1224 HydrophobicContact CZ-CG 4.48Å |
| 1225 | V | 92.9 | Very high | 93.7 | Very high | 8 Ų | 8 | 20.7 Ų | 20.7 | 5% | 0.048 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 164.2 | 179.9 | -62.2 | 0 | 0 | 0 | 0 | 110 | L1209 C1211 C1227 L1238 | L1209-V1225 HydrophobicContact CB-CG2 4.18Å; L1209-V1225 HydrophobicContact CD2-CG2 3.97Å; L1209-V1225 HydrophobicContact CG-CG2 3.78Å; L1209-V1225 WeakPolarHBondContact O-CG2 3.44Å; L1209-V1225 PolarHBondContact O-N 3.39Å; C1211-V1225 HydrophobicContact CB-CG1 3.83Å; C1211-V1225 HydrophobicContact CB-CG2 4.44Å; V1225-C1227 PolarHBondContact O-N 2.97Å; V1225-L1238 HydrophobicContact CG2-CD2 4.34Å |
| 1226 | Q | 89.8 | Confident | 93.9 | Very high | 118 Ų | 118 | 20.6 Ų | 20.6 | 55% | 0.551 | 12% | 0.118 | S | C | * | . | trans | -57.7 | 130.4 | 176.7 | -171.7 | -179.3 | 8.5 | 0 | 0 | 110.2 | S1228 S1231 | Q1226-S1228 WeakPolarHBondContact CG-OG 3.33Å; Q1226-S1228 PolarHBondContact O-N 2.87Å; Q1226-S1228 PolarHBondContact O-OG 2.66Å; Q1226-S1231 VanDerWaalsContact O-CB 3.22Å; Q1226-S1231 WeakPolarHBondContact O-CB 3.45Å; Q1226-S1231 PolarHBondContact O-OG 3.17Å | ||
| 1227 | C | 90.8 | Very high | 94.1 | Very high | 40 Ų | 40 | 19 Ų | 19 | 27% | 0.27 | 11% | 0.108 | S | C | . | . | S | Bend | trans | -75.2 | 73.2 | 177.5 | -167.5 | 0 | 0 | 0 | 0 | 110.7 | L1209 V1225 | L1209-C1227 HydrophobicContact CB-CB 4.09Å; V1225-C1227 PolarHBondContact O-N 2.97Å |
| 1228 | S | 88.8 | Confident | 94.1 | Very high | 19 Ų | 19 | 17.3 Ų | 17.3 | 13% | 0.133 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -147 | 155.5 | -173.7 | 57.9 | 0 | 0 | 0 | 0 | 111.6 | Q1226 S1230 S1231 I1305 | Q1226-S1228 WeakPolarHBondContact CG-OG 3.33Å; Q1226-S1228 PolarHBondContact O-N 2.87Å; Q1226-S1228 PolarHBondContact O-OG 2.66Å; S1228-S1230 PolarHBondContact O-N 3.27Å; S1228-S1230 PolarHBondContact OG-OG 2.87Å; S1228-S1231 WeakPolarHBondContact O-CB 3.45Å; S1228-S1231 PolarHBondContact O-N 3.29Å; S1228-S1231 PolarHBondContact OG-OG 3.27Å; S1228-I1305 VanDerWaalsContact C-CG2 3.47Å |
| 1229 | C | 90.2 | Very high | 94.2 | Very high | 8 Ų | 8 | 15.8 Ų | 15.8 | 5% | 0.054 | 9% | 0.089 | C | C | . | . | G | 310 helix | trans | -61.8 | -26 | -178 | -167.3 | 0 | 0 | 0 | 0 | 112.9 | S1231 L1232 I1305 D1309 S1312 Y1313 | C1229-S1231 VanDerWaalsContact C-N 3.27Å; C1229-S1231 PolarHBondContact O-N 3.23Å; C1229-L1232 WeakPolarHBondContact O-CB 3.3Å; C1229-L1232 WeakPolarHBondContact O-CG 3.28Å; C1229-L1232 PolarHBondContact O-N 2.76Å; C1229-I1305 HydrophobicContact CB-CG2 4.05Å; C1229-I1305 VanDerWaalsContact N-CG2 3.31Å; C1229-D1309 PolarHBondContact SG-O 3.48Å; C1229-S1312 VanDerWaalsContact C-OG 3.28Å; C1229-S1312 WeakPolarHBondContact CB-OG 3.32Å; C1229-S1312 PolarHBondContact SG-OG 3.17Å; C1229-S1312 VanDerWaalsContact SG-OG 3.37Å; C1229-Y1313 VanDerWaalsContact O-CD1 3.31Å; C1229-Y1313 WeakPolarHBondContact O-CD1 3.4Å |
| 1230 | S | 89.7 | Confident | 94.2 | Very high | 51 Ų | 51 | 15.8 Ų | 15.8 | 36% | 0.357 | 9% | 0.089 | S | C | . | . | G | 310 helix | trans | -67.5 | -21 | 174.7 | 50.3 | 0 | 0 | 0 | 0 | 114.3 | S1228 L1232 R1233 S1312 | S1228-S1230 PolarHBondContact O-N 3.27Å; S1228-S1230 PolarHBondContact OG-OG 2.87Å; S1230-L1232 VanDerWaalsContact C-N 3.32Å; S1230-R1233 PolarHBondContact O-NH1 2.6Å; S1230-S1312 WeakPolarHBondContact CA-O 3.41Å; S1230-S1312 PolarHBondContact N-OG 3.02Å |
| 1231 | S | 92.9 | Very high | 94 | Very high | 11 Ų | 11 | 15.9 Ų | 15.9 | 8% | 0.077 | 9% | 0.09 | C | C | . | . | G | 310 helix | trans | -82 | -7 | 176.5 | -63.7 | 0 | 0 | 0 | 0 | 113.4 | Q1226 S1228 C1229 R1233 L1238 | Q1226-S1231 VanDerWaalsContact O-CB 3.22Å; Q1226-S1231 WeakPolarHBondContact O-CB 3.45Å; Q1226-S1231 PolarHBondContact O-OG 3.17Å; S1228-S1231 WeakPolarHBondContact O-CB 3.45Å; S1228-S1231 PolarHBondContact O-N 3.29Å; S1228-S1231 PolarHBondContact OG-OG 3.27Å; C1229-S1231 VanDerWaalsContact C-N 3.27Å; C1229-S1231 PolarHBondContact O-N 3.23Å; S1231-R1233 PolarHBondContact O-NH1 2.83Å; S1231-L1238 WeakPolarHBondContact O-CD2 3.4Å |
| 1232 | L | 94.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | -70.4 | 150.1 | 177.6 | -60.9 | -179.3 | 0 | 0 | 0 | 111.9 | C1229 S1230 W1251 Y1301 W1302 I1305 Y1313 N1437 | C1229-L1232 WeakPolarHBondContact O-CB 3.3Å; C1229-L1232 WeakPolarHBondContact O-CG 3.28Å; C1229-L1232 PolarHBondContact O-N 2.76Å; S1230-L1232 VanDerWaalsContact C-N 3.32Å; L1232-W1251 HydrophobicContact CB-CH2 4.23Å; L1232-W1251 HydrophobicContact CB-CZ2 4.43Å; L1232-W1251 HydrophobicContact CD1-CZ2 4.45Å; L1232-W1251 HydrophobicContact CD2-CZ2 4.46Å; L1232-Y1301 WeakPolarHBondContact CD2-OH 3.23Å; L1232-W1302 HydrophobicContact CD1-CH2 4.19Å; L1232-W1302 HydrophobicContact CD1-CZ3 4.42Å; L1232-I1305 HydrophobicContact CD2-CD1 4.08Å; L1232-Y1313 HydrophobicContact CB-CD1 3.89Å; L1232-Y1313 HydrophobicContact CB-CD2 3.99Å; L1232-Y1313 HydrophobicContact CB-CE1 4.01Å; L1232-Y1313 HydrophobicContact CB-CE2 4.1Å; L1232-Y1313 HydrophobicContact CB-CG 3.89Å; L1232-Y1313 HydrophobicContact CD1-CD1 4.31Å; L1232-Y1313 HydrophobicContact CD1-CE1 3.86Å; L1232-Y1313 WeakPolarHBondContact O-CB 3.25Å; L1232-N1437 PolarHBondContact O-ND2 3Å | ||
| 1233 | R | 95.5 | Very high | 93.1 | Very high | 5 Ų | 5 | 17.2 Ų | 17.2 | 2% | 0.019 | 10% | 0.1 | C | C | . | . | trans | -143.5 | 98.7 | -172.3 | -63.1 | -69.7 | -178.4 | -90.4 | 9.7 | 110.5 | S1230 S1231 R1235 G1236 L1238 W1251 M1357 N1437 F1439 | S1230-R1233 PolarHBondContact O-NH1 2.6Å; S1231-R1233 PolarHBondContact O-NH1 2.83Å; R1233-R1235 PolarHBondContact O-N 3.23Å; R1233-G1236 PolarHBondContact O-N 3.19Å; R1233-L1238 HydrophobicContact CB-CD1 4.3Å; R1233-W1251 WeakPolarHBondContact O-CZ3 3.35Å; R1233-M1357 HydrophobicContact CB-SD 3.9Å; R1233-M1357 HydrophobicContact CG-SD 3.64Å; R1233-N1437 PolarHBondContact NH1-OD1 3.07Å; R1233-F1439 PolarHBondContact NE-O 3.23Å; R1233-F1439 PolarHBondContact NH2-O 2.87Å | ||
| 1234 | S | 96 | Very high | 92.5 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.014 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -18.6 | -177.3 | -59.2 | 0 | 0 | 0 | 0 | 115.1 | G1253 C1254 K1255 A1256 E1294 D1314 M1316 | S1234-G1253 CarbonylContact O-C 3.52Å; S1234-G1253 VanDerWaalsContact O-CA 3.24Å; S1234-G1253 WeakPolarHBondContact O-CA 3.06Å; S1234-C1254 PolarHBondContact O-N 3.13Å; S1234-K1255 CarbonylContact O-C 3.5Å; S1234-K1255 WeakPolarHBondContact O-CA 3.06Å; S1234-K1255 WeakPolarHBondContact O-CB 3.41Å; S1234-K1255 PolarHBondContact O-N 3.3Å; S1234-A1256 PolarHBondContact O-N 2.67Å; S1234-E1294 VanDerWaalsContact CA-OE2 3.32Å; S1234-E1294 WeakPolarHBondContact CA-OE2 3.44Å; S1234-E1294 WeakPolarHBondContact CB-OE2 3.26Å; S1234-E1294 VanDerWaalsContact OG-CD 3.23Å; S1234-E1294 PolarHBondContact OG-OE1 3.44Å; S1234-E1294 PolarHBondContact OG-OE2 3.14Å; S1234-D1314 PolarHBondContact OG-O 3.42Å; S1234-D1314 VanDerWaalsContact OG-O 3.1Å; S1234-M1316 PolarHBondContact OG-N 3.11Å |
| 1235 | R | 95.3 | Very high | 92 | Very high | 11 Ų | 11 | 27.1 Ų | 27.1 | 4% | 0.042 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -11 | 175.7 | -55.4 | -175.1 | 66.1 | -169.8 | 2.1 | 114.5 | R1233 K1255 A1256 M1316 F1323 F1325 A1356 N1377 | R1233-R1235 PolarHBondContact O-N 3.23Å; R1235-K1255 HydrophobicContact CG-CB 4.21Å; R1235-A1256 WeakPolarHBondContact O-CA 3.2Å; R1235-M1316 HydrophobicContact CG-CE 3.91Å; R1235-M1316 HydrophobicContact CG-SD 3.65Å; R1235-F1323 PolarHBondContact NH2-O 3.09Å; R1235-F1325 VanDerWaalsContact NH1-CE2 3.33Å; R1235-F1325 PolarHBondContact NH2-O 2.81Å; R1235-A1356 HydrophobicContact CB-CB 3.82Å; R1235-A1356 VanDerWaalsContact O-CB 3.28Å; R1235-A1356 WeakPolarHBondContact O-CB 3.23Å; R1235-N1377 PolarHBondContact NH1-OD1 3.16Å |
| 1236 | G | 95.4 | Very high | 91.6 | Very high | 3 Ų | 3 | 27.5 Ų | 27.5 | 3% | 0.031 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -107.6 | -167.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R1233 G1253 A1256 | R1233-G1236 PolarHBondContact O-N 3.19Å; G1236-G1253 PolarHBondContact O-N 3.31Å; G1236-G1253 VanDerWaalsContact O-N 3.12Å; G1236-A1256 WeakPolarHBondContact O-CB 3.29Å |
| 1237 | S | 97.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.007 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 146.1 | 167.7 | -65.7 | 0 | 0 | 0 | 0 | 108.6 | V1212 W1251 H1252 | V1212-S1237 WeakPolarHBondContact CB-O 3.49Å; V1212-S1237 WeakPolarHBondContact CG2-O 3.44Å; V1212-S1237 PolarHBondContact N-O 2.92Å; S1237-W1251 CarbonylContact C-O 3.33Å; S1237-W1251 VanDerWaalsContact CA-O 3.28Å; S1237-W1251 WeakPolarHBondContact CA-O 3.43Å; S1237-H1252 PolarHBondContact OG-ND1 3.31Å |
| 1238 | L | 97.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 151.1 | -176.1 | -67.6 | 96.5 | 0 | 0 | 0 | 110.4 | L1209 F1210 V1225 S1231 R1233 W1251 | L1209-L1238 HydrophobicContact CD1-CB 4.04Å; L1209-L1238 HydrophobicContact CD1-CD2 3.99Å; L1209-L1238 HydrophobicContact CD2-CD2 4.03Å; L1209-L1238 HydrophobicContact CG-CD2 3.97Å; F1210-L1238 CarbonylContact O-C 3.58Å; F1210-L1238 WeakPolarHBondContact O-CA 3.47Å; F1210-L1238 WeakPolarHBondContact O-CB 3.32Å; V1225-L1238 HydrophobicContact CG2-CD2 4.34Å; S1231-L1238 WeakPolarHBondContact O-CD2 3.4Å; R1233-L1238 HydrophobicContact CB-CD1 4.3Å; L1238-W1251 HydrophobicContact CB-CE3 4.47Å; L1238-W1251 HydrophobicContact CD1-CE3 3.55Å; L1238-W1251 HydrophobicContact CD1-CZ3 3.53Å; L1238-W1251 PolarHBondContact N-O 3.29Å; L1238-W1251 PolarHBondContact O-N 3.14Å |
| 1239 | V | 97 | Very high | 92.2 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 113.9 | 175.4 | -176 | 0 | 0 | 0 | 0 | 107.4 | F1210 V1212 L1222 I1248 L1250 V1268 | F1210-V1239 HydrophobicContact CB-CB 4.37Å; F1210-V1239 PolarHBondContact N-O 2.92Å; F1210-V1239 PolarHBondContact O-N 2.76Å; V1212-V1239 HydrophobicContact CG2-CG2 3.9Å; L1222-V1239 HydrophobicContact CD2-CG2 3.97Å; V1239-I1248 HydrophobicContact CG1-CG2 3.8Å; V1239-L1250 HydrophobicContact CG2-CD1 4.38Å; V1239-V1268 HydrophobicContact CB-CG2 4.49Å; V1239-V1268 HydrophobicContact CG1-CG2 4.05Å; V1239-V1268 HydrophobicContact CG2-CG2 3.56Å |
| 1240 | L | 95.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 118 | 172.4 | 175.6 | 69.7 | 0 | 0 | 0 | 108.1 | W1207 L1209 I1248 Y1249 Y1301 A1304 I1305 | W1207-L1240 HydrophobicContact CB-CD1 4.48Å; W1207-L1240 HydrophobicContact CE3-CD1 3.78Å; W1207-L1240 HydrophobicContact CE3-CD2 4.05Å; W1207-L1240 HydrophobicContact CE3-CG 3.64Å; W1207-L1240 HydrophobicContact CZ3-CD2 4.12Å; W1207-L1240 HydrophobicContact CZ3-CG 3.9Å; L1209-L1240 HydrophobicContact CB-CD1 4.36Å; L1209-L1240 HydrophobicContact CD1-CB 3.92Å; L1209-L1240 HydrophobicContact CD1-CD1 4.16Å; L1240-I1248 WeakPolarHBondContact O-CA 3.44Å; L1240-Y1249 HydrophobicContact CD2-CD2 3.86Å; L1240-Y1249 HydrophobicContact CG-CD2 4.35Å; L1240-Y1249 PolarHBondContact N-O 3.16Å; L1240-Y1249 PolarHBondContact O-N 2.65Å; L1240-Y1301 HydrophobicContact CB-CE2 4.1Å; L1240-Y1301 HydrophobicContact CD2-CD2 3.44Å; L1240-Y1301 VanDerWaalsContact CD2-CD2 3.44Å; L1240-Y1301 HydrophobicContact CD2-CE2 3.57Å; L1240-Y1301 HydrophobicContact CD2-CG 4.11Å; L1240-Y1301 HydrophobicContact CG-CE2 4.5Å; L1240-A1304 HydrophobicContact CD1-CB 4.44Å; L1240-A1304 HydrophobicContact CD2-CB 3.82Å; L1240-I1305 HydrophobicContact CD1-CD1 4.36Å; L1240-I1305 HydrophobicContact CD1-CG1 4.08Å; L1240-I1305 HydrophobicContact CD2-CD1 4.04Å; L1240-I1305 HydrophobicContact CD2-CG1 3.95Å |
| 1241 | L | 92.9 | Very high | 92.9 | Very high | 3 Ų | 3 | 17.2 Ų | 17.2 | 2% | 0.016 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 137.9 | -172.7 | 168.8 | 65.8 | 0 | 0 | 0 | 111.5 | R1208 F1210 I1248 L1279 L1281 M1287 | R1208-L1241 PolarHBondContact N-O 3.06Å; R1208-L1241 PolarHBondContact O-N 2.85Å; F1210-L1241 HydrophobicContact CE2-CB 4.47Å; F1210-L1241 HydrophobicContact CE2-CD2 4.4Å; L1241-I1248 HydrophobicContact CD1-CD1 4.15Å; L1241-I1248 HydrophobicContact CD1-CG1 3.58Å; L1241-L1279 HydrophobicContact CD2-CB 4.11Å; L1241-L1279 HydrophobicContact CD2-CD1 3.71Å; L1241-L1279 HydrophobicContact CD2-CD2 3.86Å; L1241-L1279 HydrophobicContact CD2-CG 4.11Å; L1241-L1281 HydrophobicContact CD1-CD2 4.35Å; L1241-M1287 HydrophobicContact CD1-SD 4.15Å |
| 1242 | N | 89.8 | Confident | 93.2 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 107.8 | 161.9 | -176.6 | -30.7 | 0 | 0 | 0 | 109.9 | A1206 W1207 Q1244 Q1245 G1246 T1247 | A1206-N1242 WeakPolarHBondContact CB-ND2 3.23Å; A1206-N1242 VanDerWaalsContact O-CA 3.25Å; A1206-N1242 WeakPolarHBondContact O-CA 3.24Å; A1206-N1242 WeakPolarHBondContact O-CB 3.47Å; A1206-N1242 PolarHBondContact O-ND2 3.49Å; A1206-N1242 VanDerWaalsContact O-ND2 3.11Å; A1206-N1242 PolarHBondContact O-OD1 3.33Å; W1207-N1242 HydrophobicContact CD2-CB 3.81Å; W1207-N1242 VanDerWaalsContact CE2-ND2 3.25Å; W1207-N1242 HydrophobicContact CE3-CB 3.56Å; W1207-N1242 HydrophobicContact CH2-CB 3.48Å; W1207-N1242 VanDerWaalsContact CH2-CB 3.48Å; W1207-N1242 HydrophobicContact CZ2-CB 3.75Å; W1207-N1242 VanDerWaalsContact CZ2-ND2 3.31Å; W1207-N1242 WeakPolarHBondContact CZ2-ND2 3.34Å; W1207-N1242 HydrophobicContact CZ3-CB 3.4Å; N1242-Q1244 WeakPolarHBondContact OD1-CA 3.44Å; N1242-Q1244 WeakPolarHBondContact OD1-CB 3.39Å; N1242-Q1244 PolarHBondContact OD1-N 2.9Å; N1242-Q1245 HydrophobicContact CB-CB 4.22Å; N1242-Q1245 WeakPolarHBondContact ND2-CG 3.18Å; N1242-Q1245 PolarHBondContact ND2-NE2 2.79Å; N1242-Q1245 PolarHBondContact ND2-OE1 3.41Å; N1242-Q1245 PolarHBondContact OD1-N 2.96Å; N1242-G1246 WeakPolarHBondContact O-CA 3.33Å; N1242-G1246 PolarHBondContact O-N 2.92Å; N1242-T1247 PolarHBondContact N-O 3.39Å; N1242-T1247 PolarHBondContact O-N 2.72Å |
| 1243 | S | 83.3 | Confident | 93.3 | Very high | 37 Ų | 37 | 16.7 Ų | 16.7 | 26% | 0.259 | 9% | 0.088 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -21.8 | -179.7 | 50.3 | 0 | 0 | 0 | 0 | 114 | L1279 | S1243-L1279 WeakPolarHBondContact CB-O 3.49Å; S1243-L1279 PolarHBondContact OG-O 2.84Å |
| 1244 | Q | 81.7 | Confident | 93.3 | Very high | 132 Ų | 132 | 18.6 Ų | 18.6 | 62% | 0.617 | 10% | 0.101 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -38.6 | 173.8 | -58.9 | -178.3 | -6.4 | 0 | 0 | 111.6 | A1206 N1242 | A1206-Q1244 HydrophobicContact CB-CG 4.43Å; N1242-Q1244 WeakPolarHBondContact OD1-CA 3.44Å; N1242-Q1244 WeakPolarHBondContact OD1-CB 3.39Å; N1242-Q1244 PolarHBondContact OD1-N 2.9Å |
| 1245 | Q | 84.4 | Confident | 93.3 | Very high | 120 Ų | 120 | 20.6 Ų | 20.6 | 56% | 0.561 | 11% | 0.11 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -15.7 | 177.1 | -65.6 | -179.8 | 5.5 | 0 | 0 | 113.2 | N1242 | N1242-Q1245 HydrophobicContact CB-CB 4.22Å; N1242-Q1245 WeakPolarHBondContact ND2-CG 3.18Å; N1242-Q1245 PolarHBondContact ND2-NE2 2.79Å; N1242-Q1245 PolarHBondContact ND2-OE1 3.41Å; N1242-Q1245 PolarHBondContact OD1-N 2.96Å |
| 1246 | G | 86 | Confident | 93.3 | Very high | 16 Ų | 16 | 20.5 Ų | 20.5 | 17% | 0.165 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 31.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N1242 M1287 N1288 | N1242-G1246 WeakPolarHBondContact O-CA 3.33Å; N1242-G1246 PolarHBondContact O-N 2.92Å; G1246-M1287 CarbonylContact O-C 3.56Å; G1246-M1287 VanDerWaalsContact O-CA 3.25Å; G1246-M1287 WeakPolarHBondContact O-CA 3.25Å; G1246-N1288 PolarHBondContact O-N 3.47Å |
| 1247 | T | 90.3 | Very high | 93.3 | Very high | 13 Ų | 13 | 22.4 Ų | 22.4 | 8% | 0.08 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 132.4 | -173.8 | -60.5 | 0 | 0 | 0 | 0 | 111.2 | W1207 N1242 Y1249 | W1207-T1247 HydrophobicContact CH2-CG2 4.42Å; N1242-T1247 PolarHBondContact N-O 3.39Å; N1242-T1247 PolarHBondContact O-N 2.72Å; T1247-Y1249 HydrophobicContact CG2-CD2 4.06Å; T1247-Y1249 HydrophobicContact CG2-CE1 4.31Å; T1247-Y1249 HydrophobicContact CG2-CE2 3.62Å |
| 1248 | I | 94 | Very high | 93.1 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 123 | 167.4 | -71.7 | 176.6 | 0 | 0 | 0 | 108.5 | V1239 L1240 L1241 V1268 M1287 N1288 I1289 Q1290 | V1239-I1248 HydrophobicContact CG1-CG2 3.8Å; L1240-I1248 WeakPolarHBondContact O-CA 3.44Å; L1241-I1248 HydrophobicContact CD1-CD1 4.15Å; L1241-I1248 HydrophobicContact CD1-CG1 3.58Å; I1248-V1268 HydrophobicContact CD1-CG1 4.43Å; I1248-V1268 HydrophobicContact CG2-CG1 4.16Å; I1248-V1268 HydrophobicContact CG2-CG2 4.48Å; I1248-M1287 HydrophobicContact CD1-CE 3.56Å; I1248-M1287 HydrophobicContact CD1-SD 3.65Å; I1248-M1287 HydrophobicContact CG1-SD 4.02Å; I1248-N1288 PolarHBondContact N-O 3.22Å; I1248-I1289 HydrophobicContact CB-CG1 4.36Å; I1248-I1289 HydrophobicContact CG2-CG2 4.48Å; I1248-I1289 CarbonylContact O-C 3.56Å; I1248-I1289 WeakPolarHBondContact O-CA 3.23Å; I1248-Q1290 PolarHBondContact O-N 2.9Å |
| 1249 | Y | 96.3 | Very high | 93 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 113.4 | 161.1 | -56 | -82.5 | 0 | 0 | 0 | 109.2 | W1207 L1240 T1247 W1251 Q1290 V1292 P1298 E1300 Y1301 | W1207-Y1249 HydrophobicContact CH2-CD2 4.28Å; W1207-Y1249 AromaticContact CH2-CE2 3.66Å; W1207-Y1249 HydrophobicContact CH2-CE2 3.66Å; W1207-Y1249 HydrophobicContact CZ3-CD2 4.02Å; W1207-Y1249 AromaticContact CZ3-CE2 3.88Å; W1207-Y1249 HydrophobicContact CZ3-CE2 3.88Å; L1240-Y1249 HydrophobicContact CD2-CD2 3.86Å; L1240-Y1249 HydrophobicContact CG-CD2 4.35Å; L1240-Y1249 PolarHBondContact N-O 3.16Å; L1240-Y1249 PolarHBondContact O-N 2.65Å; T1247-Y1249 HydrophobicContact CG2-CD2 4.06Å; T1247-Y1249 HydrophobicContact CG2-CE1 4.31Å; T1247-Y1249 HydrophobicContact CG2-CE2 3.62Å; Y1249-W1251 PolarHBondContact O-N 3.18Å; Y1249-Q1290 CarbonylContact C-O 3.35Å; Y1249-Q1290 WeakPolarHBondContact CA-O 3.45Å; Y1249-Q1290 HydrophobicContact CD1-CB 3.77Å; Y1249-Q1290 HydrophobicContact CD1-CG 4.43Å; Y1249-Q1290 HydrophobicContact CE1-CB 4.18Å; Y1249-Q1290 HydrophobicContact CE1-CG 4.37Å; Y1249-V1292 HydrophobicContact CD1-CG2 3.83Å; Y1249-V1292 HydrophobicContact CG-CG2 4.48Å; Y1249-P1298 HydrophobicContact CD1-CG 4.28Å; Y1249-P1298 HydrophobicContact CE1-CG 3.69Å; Y1249-E1300 WeakPolarHBondContact OH-CB 3.36Å; Y1249-E1300 PolarHBondContact OH-OE2 3.12Å; Y1249-Y1301 HydrophobicContact CD1-CD2 4.44Å; Y1249-Y1301 AromaticContact CD2-CD2 3.99Å; Y1249-Y1301 HydrophobicContact CD2-CD2 3.99Å; Y1249-Y1301 AromaticContact CG-CD2 3.83Å; Y1249-Y1301 HydrophobicContact CG-CD2 3.83Å |
| 1250 | L | 97.8 | Very high | 92.9 | Very high | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 97.1 | 167.7 | 170.9 | 54.4 | 0 | 0 | 0 | 108 | V1239 A1264 K1265 V1268 Q1290 V1292 | V1239-L1250 HydrophobicContact CG2-CD1 4.38Å; L1250-A1264 HydrophobicContact CD1-CB 3.77Å; L1250-K1265 HydrophobicContact CD2-CG 3.65Å; L1250-V1268 HydrophobicContact CD1-CG2 4.34Å; L1250-V1268 HydrophobicContact CD2-CG2 4.49Å; L1250-Q1290 PolarHBondContact N-O 3.2Å; L1250-V1292 PolarHBondContact O-N 2.92Å |
| 1251 | W | 98 | Very high | 93 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 126.7 | -178.9 | -175.9 | 97.5 | 0 | 0 | 0 | 110.9 | L1232 R1233 S1237 L1238 Y1249 V1292 E1294 E1297 Y1301 | L1232-W1251 HydrophobicContact CB-CH2 4.23Å; L1232-W1251 HydrophobicContact CB-CZ2 4.43Å; L1232-W1251 HydrophobicContact CD1-CZ2 4.45Å; L1232-W1251 HydrophobicContact CD2-CZ2 4.46Å; R1233-W1251 WeakPolarHBondContact O-CZ3 3.35Å; S1237-W1251 CarbonylContact C-O 3.33Å; S1237-W1251 VanDerWaalsContact CA-O 3.28Å; S1237-W1251 WeakPolarHBondContact CA-O 3.43Å; L1238-W1251 HydrophobicContact CB-CE3 4.47Å; L1238-W1251 HydrophobicContact CD1-CE3 3.55Å; L1238-W1251 HydrophobicContact CD1-CZ3 3.53Å; L1238-W1251 PolarHBondContact N-O 3.29Å; L1238-W1251 PolarHBondContact O-N 3.14Å; Y1249-W1251 PolarHBondContact O-N 3.18Å; W1251-V1292 CarbonylContact C-O 3.57Å; W1251-V1292 WeakPolarHBondContact CA-O 3.27Å; W1251-E1294 HydrophobicContact CH2-CB 4.27Å; W1251-E1294 HydrophobicContact CH2-CG 4.28Å; W1251-E1294 HydrophobicContact CZ2-CB 3.59Å; W1251-E1294 HydrophobicContact CZ2-CG 3.57Å; W1251-E1297 PolarHBondContact NE1-OE1 3.23Å; W1251-Y1301 HydrophobicContact CB-CE2 4.02Å; W1251-Y1301 WeakPolarHBondContact CB-OH 3.36Å; W1251-Y1301 AromaticContact CD1-CE1 3.94Å; W1251-Y1301 AromaticContact CD1-CE2 3.96Å; W1251-Y1301 AromaticContact CD1-CZ 3.43Å; W1251-Y1301 VanDerWaalsContact CD1-CZ 3.43Å; W1251-Y1301 HydrophobicContact CG-CE2 4.26Å; W1251-Y1301 AromaticContact CG-CZ 3.85Å; W1251-Y1301 VanDerWaalsContact CG-OH 3.23Å |
| 1252 | H | 98.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 121.8 | 175 | -67.9 | -41.3 | 0 | 0 | 0 | 110.1 | S1237 K1265 E1291 V1292 E1294 | S1237-H1252 PolarHBondContact OG-ND1 3.31Å; H1252-K1265 WeakPolarHBondContact NE2-CE 3.4Å; H1252-E1291 IonicContact CD2-OE1 2.7Å; H1252-E1291 PolarHBondContact CD2-OE1 2.95Å; H1252-E1291 IonicContact NE2-OE1 3.62Å; H1252-E1291 PolarHBondContact NE2-OE1 3.13Å; H1252-V1292 PolarHBondContact N-O 3.19Å; H1252-E1294 PolarHBondContact O-N 3.1Å |
| 1253 | G | 96.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -60.2 | 150.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1234 G1236 K1255 A1256 R1261 | S1234-G1253 CarbonylContact O-C 3.52Å; S1234-G1253 VanDerWaalsContact O-CA 3.24Å; S1234-G1253 WeakPolarHBondContact O-CA 3.06Å; G1236-G1253 PolarHBondContact O-N 3.31Å; G1236-G1253 VanDerWaalsContact O-N 3.12Å; G1253-K1255 PolarHBondContact O-N 2.86Å; G1253-A1256 WeakPolarHBondContact O-CB 3.26Å; G1253-A1256 PolarHBondContact O-N 2.88Å; G1253-R1261 PolarHBondContact O-NH2 3.46Å; G1253-R1261 VanDerWaalsContact O-NH2 3.1Å | ||
| 1254 | C | 95.5 | Very high | 94.2 | Very high | 45 Ų | 45 | 35.7 Ų | 35.7 | 30% | 0.304 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -13.4 | -177 | 67.1 | 0 | 0 | 0 | 0 | 113.8 | S1234 E1294 M1316 L1317 | S1234-C1254 PolarHBondContact O-N 3.13Å; C1254-E1294 HydrophobicContact CB-CB 4.18Å; C1254-E1294 WeakPolarHBondContact CB-OE2 3.43Å; C1254-E1294 PolarHBondContact N-OE2 3.07Å; C1254-E1294 PolarHBondContact SG-OE2 2.88Å; C1254-M1316 VanDerWaalsContact SG-C 3.53Å; C1254-L1317 HydrophobicContact CB-CD2 3.98Å |
| 1255 | K | 95.6 | Very high | 95 | Very high | 44 Ų | 44 | 32.9 Ų | 32.9 | 19% | 0.191 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | 8.3 | 172.9 | -49.2 | -57.9 | -173.2 | 169.7 | 0 | 113.1 | S1234 R1235 G1253 H1257 M1316 D1319 G1321 F1323 | S1234-K1255 CarbonylContact O-C 3.5Å; S1234-K1255 WeakPolarHBondContact O-CA 3.06Å; S1234-K1255 WeakPolarHBondContact O-CB 3.41Å; S1234-K1255 PolarHBondContact O-N 3.3Å; R1235-K1255 HydrophobicContact CG-CB 4.21Å; G1253-K1255 PolarHBondContact O-N 2.86Å; K1255-H1257 PolarHBondContact O-N 2.79Å; K1255-M1316 HydrophobicContact CB-SD 4.37Å; K1255-M1316 HydrophobicContact CD-CB 4.39Å; K1255-M1316 WeakPolarHBondContact CE-O 3.28Å; K1255-M1316 HydrophobicContact CG-CB 3.74Å; K1255-M1316 HydrophobicContact CG-CG 4.34Å; K1255-M1316 HydrophobicContact CG-SD 3.67Å; K1255-D1319 PolarHBondContact NZ-O 3.37Å; K1255-G1321 PolarHBondContact NZ-O 3Å; K1255-F1323 HydrophobicContact CB-CB 4.22Å; K1255-F1323 HydrophobicContact CB-CD2 4.34Å; K1255-F1323 HydrophobicContact CB-CG 4.49Å; K1255-F1323 HydrophobicContact CD-CD2 3.76Å; K1255-F1323 HydrophobicContact CD-CE2 4.26Å; K1255-F1323 HydrophobicContact CG-CD2 3.78Å; K1255-F1323 HydrophobicContact CG-CE2 4.33Å; K1255-F1323 HydrophobicContact CG-CG 4.34Å |
| 1256 | A | 95.6 | Very high | 95.6 | Very high | 9 Ų | 9 | 29.1 Ų | 29.1 | 7% | 0.074 | 15% | 0.154 | C | C | . | . | trans | -61.8 | 118.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S1234 R1235 G1236 G1253 R1261 | S1234-A1256 PolarHBondContact O-N 2.67Å; R1235-A1256 WeakPolarHBondContact O-CA 3.2Å; G1236-A1256 WeakPolarHBondContact O-CB 3.29Å; G1253-A1256 WeakPolarHBondContact O-CB 3.26Å; G1253-A1256 PolarHBondContact O-N 2.88Å; A1256-R1261 HydrophobicContact CB-CG 4.12Å; A1256-R1261 PolarHBondContact O-NE 2.96Å | ||
| 1257 | H | 95 | Very high | 96.1 | Very high | 44 Ų | 44 | 28.4 Ų | 28.4 | 20% | 0.204 | 15% | 0.146 | C | C | . | . | trans | -64.8 | 147.4 | -176.2 | -172.3 | -117.5 | 0 | 0 | 0 | 111.9 | K1255 K1259 A1260 R1261 I1354 | K1255-H1257 PolarHBondContact O-N 2.79Å; H1257-K1259 PolarHBondContact O-N 2.78Å; H1257-K1259 VanDerWaalsContact O-N 3.13Å; H1257-A1260 PolarHBondContact O-N 3.46Å; H1257-R1261 PolarHBondContact O-N 2.92Å; H1257-I1354 HydrophobicContact CB-CG2 4.41Å | ||
| 1258 | S | 94.9 | Very high | 96.4 | Very high | 69 Ų | 69 | 28 Ų | 28 | 48% | 0.483 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -57.6 | -32.1 | -175 | 57 | 0 | 0 | 0 | 0 | 113.5 | Q1262 | S1258-Q1262 WeakPolarHBondContact O-CG 3.26Å; S1258-Q1262 PolarHBondContact O-N 3.07Å |
| 1259 | K | 94.4 | Very high | 96.4 | Very high | 86 Ų | 86 | 33.2 Ų | 33.2 | 37% | 0.374 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -69.5 | -45.4 | 173.7 | -74.4 | -75 | 164.9 | -163.9 | 0 | 112.9 | H1257 R1261 Q1262 V1263 V1353 | H1257-K1259 PolarHBondContact O-N 2.78Å; H1257-K1259 VanDerWaalsContact O-N 3.13Å; K1259-R1261 VanDerWaalsContact C-N 3.26Å; K1259-R1261 PolarHBondContact O-N 2.85Å; K1259-Q1262 WeakPolarHBondContact O-CA 3.47Å; K1259-Q1262 WeakPolarHBondContact O-CB 3.45Å; K1259-Q1262 PolarHBondContact O-N 3.33Å; K1259-V1263 WeakPolarHBondContact O-CG2 3.18Å; K1259-V1263 PolarHBondContact O-N 2.83Å; K1259-V1353 HydrophobicContact CB-CG1 4.18Å; K1259-V1353 HydrophobicContact CG-CG1 4.46Å |
| 1260 | A | 94.7 | Very high | 96.2 | Very high | 25 Ų | 25 | 36 Ų | 36 | 21% | 0.207 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.4 | -37.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | H1257 V1263 A1264 | H1257-A1260 PolarHBondContact O-N 3.46Å; A1260-V1263 PolarHBondContact O-N 2.97Å; A1260-A1264 WeakPolarHBondContact O-CB 3.44Å; A1260-A1264 PolarHBondContact O-N 3.15Å |
| 1261 | R | 97.2 | Very high | 95.9 | Very high | 48 Ų | 48 | 35.9 Ų | 35.9 | 18% | 0.181 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.7 | -38.4 | 172 | -65 | 176.5 | 172.9 | -118.9 | -5.5 | 112.6 | G1253 A1256 H1257 K1259 K1265 E1293 | G1253-R1261 PolarHBondContact O-NH2 3.46Å; G1253-R1261 VanDerWaalsContact O-NH2 3.1Å; A1256-R1261 HydrophobicContact CB-CG 4.12Å; A1256-R1261 PolarHBondContact O-NE 2.96Å; H1257-R1261 PolarHBondContact O-N 2.92Å; K1259-R1261 VanDerWaalsContact C-N 3.26Å; K1259-R1261 PolarHBondContact O-N 2.85Å; R1261-K1265 WeakPolarHBondContact O-CG 3.48Å; R1261-K1265 PolarHBondContact O-N 2.92Å; R1261-K1265 VanDerWaalsContact O-N 3.12Å; R1261-E1293 IonicContact CZ-OE1 3.91Å; R1261-E1293 IonicContact CZ-OE2 3.72Å; R1261-E1293 IonicContact NH1-OE1 2.8Å; R1261-E1293 PolarHBondContact NH1-OE1 2.85Å; R1261-E1293 IonicContact NH1-OE2 2.7Å; R1261-E1293 PolarHBondContact NH1-OE2 3.37Å; R1261-E1293 IonicContact NH2-OE1 2.62Å; R1261-E1293 IonicContact NH2-OE2 2.67Å; R1261-E1293 PolarHBondContact NH2-OE2 2.95Å |
| 1262 | Q | 97.3 | Very high | 95.5 | Very high | 93 Ų | 93 | 37.9 Ų | 37.9 | 44% | 0.435 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -66 | -42.8 | 174.2 | -75.4 | 174.9 | -10.2 | 0 | 0 | 112 | P1217 S1258 K1259 K1265 H1266 | P1217-Q1262 HydrophobicContact CG-CB 4.48Å; S1258-Q1262 WeakPolarHBondContact O-CG 3.26Å; S1258-Q1262 PolarHBondContact O-N 3.07Å; K1259-Q1262 WeakPolarHBondContact O-CA 3.47Å; K1259-Q1262 WeakPolarHBondContact O-CB 3.45Å; K1259-Q1262 PolarHBondContact O-N 3.33Å; Q1262-K1265 PolarHBondContact O-N 3.13Å; Q1262-H1266 PolarHBondContact O-N 3.47Å; Q1262-H1266 VanDerWaalsContact O-N 3.13Å |
| 1263 | V | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.8 | -50.1 | 174.2 | 178.6 | 0 | 0 | 0 | 0 | 110.5 | V1212 R1213 K1259 A1260 K1265 H1266 T1267 | V1212-V1263 HydrophobicContact CG1-CG1 4Å; R1213-V1263 WeakPolarHBondContact O-CG1 3.32Å; K1259-V1263 WeakPolarHBondContact O-CG2 3.18Å; K1259-V1263 PolarHBondContact O-N 2.83Å; A1260-V1263 PolarHBondContact O-N 2.97Å; V1263-K1265 VanDerWaalsContact C-N 3.31Å; V1263-K1265 PolarHBondContact O-N 3.11Å; V1263-H1266 WeakPolarHBondContact O-CB 3.42Å; V1263-H1266 PolarHBondContact O-N 2.84Å; V1263-H1266 VanDerWaalsContact O-N 3.07Å; V1263-T1267 HydrophobicContact CG1-CG2 4.24Å; V1263-T1267 PolarHBondContact O-N 3.41Å; V1263-T1267 PolarHBondContact O-OG1 3.08Å |
| 1264 | A | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.7 | -32.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | V1212 L1250 A1260 T1267 V1268 | V1212-A1264 HydrophobicContact CB-CB 4.22Å; V1212-A1264 HydrophobicContact CG1-CB 3.9Å; V1212-A1264 HydrophobicContact CG2-CB 3.85Å; L1250-A1264 HydrophobicContact CD1-CB 3.77Å; A1260-A1264 WeakPolarHBondContact O-CB 3.44Å; A1260-A1264 PolarHBondContact O-N 3.15Å; A1264-T1267 WeakPolarHBondContact CA-OG1 3.48Å; A1264-T1267 PolarHBondContact O-OG1 2.76Å; A1264-T1267 VanDerWaalsContact O-OG1 3.09Å; A1264-V1268 WeakPolarHBondContact O-CG2 3.36Å; A1264-V1268 PolarHBondContact O-N 2.83Å |
| 1265 | K | 97.6 | Very high | 94 | Very high | 72 Ų | 72 | 45 Ų | 45 | 31% | 0.313 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -71.4 | -39.7 | 172.8 | -70.4 | -179.9 | -166 | -151.4 | 0 | 111.6 | L1250 H1252 R1261 Q1262 V1263 Q1269 E1291 | L1250-K1265 HydrophobicContact CD2-CG 3.65Å; H1252-K1265 WeakPolarHBondContact NE2-CE 3.4Å; R1261-K1265 WeakPolarHBondContact O-CG 3.48Å; R1261-K1265 PolarHBondContact O-N 2.92Å; R1261-K1265 VanDerWaalsContact O-N 3.12Å; Q1262-K1265 PolarHBondContact O-N 3.13Å; V1263-K1265 VanDerWaalsContact C-N 3.31Å; V1263-K1265 PolarHBondContact O-N 3.11Å; K1265-Q1269 WeakPolarHBondContact O-CB 3.5Å; K1265-Q1269 WeakPolarHBondContact O-CG 3.26Å; K1265-Q1269 PolarHBondContact O-N 3.16Å; K1265-E1291 VanDerWaalsContact CE-OE1 3.31Å; K1265-E1291 WeakPolarHBondContact CE-OE1 3.44Å; K1265-E1291 VanDerWaalsContact CE-OE2 3.31Å; K1265-E1291 WeakPolarHBondContact CE-OE2 3.31Å; K1265-E1291 IonicContact NZ-OE1 2.75Å; K1265-E1291 PolarHBondContact NZ-OE1 2.93Å; K1265-E1291 IonicContact NZ-OE2 3.79Å; K1265-E1291 PolarHBondContact NZ-OE2 3.04Å |
| 1266 | H | 97.7 | Very high | 93.5 | Very high | 42 Ų | 42 | 42.9 Ų | 42.9 | 19% | 0.194 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.5 | -45.5 | 175.7 | -175.4 | 98.6 | 0 | 0 | 0 | 111.7 | Q1190 P1217 Q1262 V1263 V1268 Q1269 R1270 | Q1190-H1266 PolarHBondContact O-NE2 3.04Å; P1217-H1266 HydrophobicContact CB-CB 3.72Å; P1217-H1266 PolarHBondContact O-CD2 3.1Å; Q1262-H1266 PolarHBondContact O-N 3.47Å; Q1262-H1266 VanDerWaalsContact O-N 3.13Å; V1263-H1266 WeakPolarHBondContact O-CB 3.42Å; V1263-H1266 PolarHBondContact O-N 2.84Å; V1263-H1266 VanDerWaalsContact O-N 3.07Å; H1266-V1268 PolarHBondContact O-N 2.79Å; H1266-Q1269 WeakPolarHBondContact O-CB 3.48Å; H1266-Q1269 PolarHBondContact O-N 3.38Å; H1266-R1270 WeakPolarHBondContact NE2-CG 3.47Å; H1266-R1270 VanDerWaalsContact O-CG 3.26Å; H1266-R1270 WeakPolarHBondContact O-CG 3.32Å; H1266-R1270 PolarHBondContact O-N 3.11Å |
| 1267 | T | 96.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.3 | -42.7 | 177.8 | 58.1 | 0 | 0 | 0 | 0 | 111.9 | G1191 V1212 V1263 A1264 R1270 L1271 | G1191-T1267 WeakPolarHBondContact O-CA 3.25Å; V1212-T1267 HydrophobicContact CG1-CG2 4.46Å; V1263-T1267 HydrophobicContact CG1-CG2 4.24Å; V1263-T1267 PolarHBondContact O-N 3.41Å; V1263-T1267 PolarHBondContact O-OG1 3.08Å; A1264-T1267 WeakPolarHBondContact CA-OG1 3.48Å; A1264-T1267 PolarHBondContact O-OG1 2.76Å; A1264-T1267 VanDerWaalsContact O-OG1 3.09Å; T1267-R1270 PolarHBondContact O-N 2.94Å; T1267-L1271 WeakPolarHBondContact O-CB 3.4Å; T1267-L1271 PolarHBondContact O-N 3.29Å |
| 1268 | V | 95.3 | Very high | 92.3 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.018 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.5 | -38.8 | 174.9 | 171.7 | 0 | 0 | 0 | 0 | 112.1 | V1239 I1248 L1250 A1264 H1266 L1271 T1272 I1289 | V1239-V1268 HydrophobicContact CB-CG2 4.49Å; V1239-V1268 HydrophobicContact CG1-CG2 4.05Å; V1239-V1268 HydrophobicContact CG2-CG2 3.56Å; I1248-V1268 HydrophobicContact CD1-CG1 4.43Å; I1248-V1268 HydrophobicContact CG2-CG1 4.16Å; I1248-V1268 HydrophobicContact CG2-CG2 4.48Å; L1250-V1268 HydrophobicContact CD1-CG2 4.34Å; L1250-V1268 HydrophobicContact CD2-CG2 4.49Å; A1264-V1268 WeakPolarHBondContact O-CG2 3.36Å; A1264-V1268 PolarHBondContact O-N 2.83Å; H1266-V1268 PolarHBondContact O-N 2.79Å; V1268-L1271 PolarHBondContact O-N 3.27Å; V1268-T1272 WeakPolarHBondContact O-CB 3.4Å; V1268-T1272 PolarHBondContact O-N 3.29Å; V1268-T1272 PolarHBondContact O-OG1 2.96Å; V1268-I1289 HydrophobicContact CG1-CD1 3.97Å; V1268-I1289 HydrophobicContact CG1-CG1 4.22Å; V1268-I1289 HydrophobicContact CG1-CG2 3.95Å |
| 1269 | Q | 94.4 | Very high | 91.7 | Very high | 110 Ų | 110 | 43.7 Ų | 43.7 | 51% | 0.514 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.6 | -46.5 | 173.3 | -77.2 | 169.2 | -11.5 | 0 | 0 | 111.6 | K1265 H1266 T1272 Q1273 | K1265-Q1269 WeakPolarHBondContact O-CB 3.5Å; K1265-Q1269 WeakPolarHBondContact O-CG 3.26Å; K1265-Q1269 PolarHBondContact O-N 3.16Å; H1266-Q1269 WeakPolarHBondContact O-CB 3.48Å; H1266-Q1269 PolarHBondContact O-N 3.38Å; Q1269-T1272 PolarHBondContact O-N 3.09Å; Q1269-Q1273 WeakPolarHBondContact O-CG 3.45Å; Q1269-Q1273 PolarHBondContact O-N 3.37Å |
| 1270 | R | 93.3 | Very high | 90.9 | Very high | 61 Ų | 61 | 43.8 Ų | 43.8 | 23% | 0.23 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.5 | -45.1 | 177 | -65.6 | -68.5 | -67.9 | 134.7 | 2.8 | 111.5 | Q1190 H1266 T1267 T1272 Q1273 T1274 | Q1190-R1270 VanDerWaalsContact O-CD 3.29Å; Q1190-R1270 WeakPolarHBondContact O-CD 3.44Å; Q1190-R1270 WeakPolarHBondContact O-CG 3.49Å; Q1190-R1270 PolarHBondContact O-NE 3.22Å; H1266-R1270 WeakPolarHBondContact NE2-CG 3.47Å; H1266-R1270 VanDerWaalsContact O-CG 3.26Å; H1266-R1270 WeakPolarHBondContact O-CG 3.32Å; H1266-R1270 PolarHBondContact O-N 3.11Å; T1267-R1270 PolarHBondContact O-N 2.94Å; R1270-T1272 VanDerWaalsContact C-N 3.26Å; R1270-T1272 PolarHBondContact O-N 2.99Å; R1270-Q1273 VanDerWaalsContact NH1-OE1 3.12Å; R1270-Q1273 WeakPolarHBondContact O-CB 3.38Å; R1270-Q1273 PolarHBondContact O-N 2.9Å; R1270-T1274 PolarHBondContact O-N 2.71Å; R1270-T1274 PolarHBondContact O-OG1 2.96Å; R1270-T1274 VanDerWaalsContact O-OG1 3.12Å |
| 1271 | L | 90.5 | Very high | 90 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.1 | -36.9 | 177.3 | -156.1 | 71.7 | 0 | 0 | 0 | 112.8 | V1194 L1222 T1267 V1268 C1275 P1276 L1279 | V1194-L1271 HydrophobicContact CG2-CD1 3.88Å; L1222-L1271 HydrophobicContact CD1-CD1 4.21Å; L1222-L1271 HydrophobicContact CD1-CD2 3.99Å; T1267-L1271 WeakPolarHBondContact O-CB 3.4Å; T1267-L1271 PolarHBondContact O-N 3.29Å; V1268-L1271 PolarHBondContact O-N 3.27Å; L1271-C1275 PolarHBondContact O-N 3.35Å; L1271-P1276 HydrophobicContact CD1-CG 3.98Å; L1271-L1279 HydrophobicContact CD1-CD1 3.69Å; L1271-L1279 HydrophobicContact CD2-CD1 3.76Å; L1271-L1279 HydrophobicContact CG-CD1 3.87Å |
| 1272 | T | 89.1 | Confident | 88.6 | Confident | 42 Ų | 42 | 48.5 Ų | 48.5 | 26% | 0.258 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -81.2 | -17.2 | 177.8 | -47 | 0 | 0 | 0 | 0 | 112.6 | V1268 Q1269 R1270 M1287 I1289 | V1268-T1272 WeakPolarHBondContact O-CB 3.4Å; V1268-T1272 PolarHBondContact O-N 3.29Å; V1268-T1272 PolarHBondContact O-OG1 2.96Å; Q1269-T1272 PolarHBondContact O-N 3.09Å; R1270-T1272 VanDerWaalsContact C-N 3.26Å; R1270-T1272 PolarHBondContact O-N 2.99Å; T1272-M1287 HydrophobicContact CG2-CE 3.92Å; T1272-I1289 HydrophobicContact CG2-CD1 4.3Å |
| 1273 | Q | 88.2 | Confident | 87.1 | Confident | 126 Ų | 126 | 50.8 Ų | 50.8 | 59% | 0.589 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -84.7 | -40.2 | 172.1 | -73.8 | 164.6 | 7.4 | 0 | 0 | 112.3 | Q1269 R1270 | Q1269-Q1273 WeakPolarHBondContact O-CG 3.45Å; Q1269-Q1273 PolarHBondContact O-N 3.37Å; R1270-Q1273 VanDerWaalsContact NH1-OE1 3.12Å; R1270-Q1273 WeakPolarHBondContact O-CB 3.38Å; R1270-Q1273 PolarHBondContact O-N 2.9Å |
| 1274 | T | 85.4 | Confident | 85.6 | Confident | 52 Ų | 52 | 54.1 Ų | 54.1 | 32% | 0.319 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -86.8 | -30.6 | -177.2 | 56.9 | 0 | 0 | 0 | 0 | 113.2 | R1270 | R1270-T1274 PolarHBondContact O-N 2.71Å; R1270-T1274 PolarHBondContact O-OG1 2.96Å; R1270-T1274 VanDerWaalsContact O-OG1 3.12Å |
| 1275 | C | 86 | Confident | 84.1 | Confident | 15 Ų | 15 | 56.4 Ų | 56.4 | 10% | 0.101 | 32% | 0.318 | C | S | . | . | trans | 47 | 59.3 | -177.4 | -70 | 0 | 0 | 0 | 0 | 113.5 | L1271 L1281 | L1271-C1275 PolarHBondContact O-N 3.35Å; C1275-L1281 HydrophobicContact CB-CB 4Å | ||
| 1276 | P | 84.9 | Confident | 82.8 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 35% | 0.346 | C | S | . | . | trans | -59.9 | 141.3 | -174.4 | 26.1 | -35.7 | 0 | 0 | 0 | 112.4 | Q1116 L1271 E1278 L1279 | Q1116-P1276 HydrophobicContact CG-CB 3.78Å; L1271-P1276 HydrophobicContact CD1-CG 3.98Å; P1276-E1278 VanDerWaalsContact C-N 3.25Å; P1276-E1278 PolarHBondContact O-N 3.12Å; P1276-L1279 HydrophobicContact CG-CB 4.48Å; P1276-L1279 HydrophobicContact CG-CD1 3.83Å; P1276-L1279 HydrophobicContact CG-CG 4.07Å; P1276-L1279 PolarHBondContact O-N 3.21Å | ||
| 1277 | S | 81.3 | Confident | 82 | Confident | 74 Ų | 74 | 61.9 Ų | 61.9 | 52% | 0.517 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -66.2 | -29.1 | -172.4 | 75.2 | 0 | 0 | 0 | 0 | 113.1 | L1279 S1280 | S1277-L1279 PolarHBondContact O-N 3.33Å; S1277-S1280 WeakPolarHBondContact O-CA 3.29Å; S1277-S1280 PolarHBondContact O-N 3.24Å |
| 1278 | E | 84.8 | Confident | 81.7 | Confident | 64 Ų | 64 | 66 Ų | 66 | 30% | 0.299 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -63.5 | -22.2 | 178.5 | -64.5 | 74.4 | -168.4 | 0 | 0 | 112.5 | S1113 Q1116 Y1196 R1208 P1276 | S1113-E1278 WeakPolarHBondContact CB-OE1 3.41Å; S1113-E1278 PolarHBondContact OG-OE1 3.19Å; Q1116-E1278 HydrophobicContact CB-CG 4.15Å; Y1196-E1278 HydrophobicContact CD2-CB 4.44Å; Y1196-E1278 HydrophobicContact CE2-CB 3.61Å; Y1196-E1278 HydrophobicContact CE2-CG 3.97Å; R1208-E1278 PolarHBondContact NH1-O 2.8Å; P1276-E1278 VanDerWaalsContact C-N 3.25Å; P1276-E1278 PolarHBondContact O-N 3.12Å |
| 1279 | L | 81.5 | Confident | 81.6 | Confident | 2 Ų | 2 | 69.5 Ų | 69.5 | 1% | 0.01 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -92.9 | -0.2 | 173 | -65.2 | -174.8 | 0 | 0 | 0 | 113 | Y1196 F1210 L1241 S1243 L1271 P1276 S1277 L1281 | Y1196-L1279 HydrophobicContact CE1-CD2 3.62Å; Y1196-L1279 HydrophobicContact CE1-CG 4.42Å; Y1196-L1279 WeakPolarHBondContact OH-CG 3.33Å; F1210-L1279 HydrophobicContact CE2-CD2 4.33Å; F1210-L1279 HydrophobicContact CZ-CD2 3.78Å; L1241-L1279 HydrophobicContact CD2-CB 4.11Å; L1241-L1279 HydrophobicContact CD2-CD1 3.71Å; L1241-L1279 HydrophobicContact CD2-CD2 3.86Å; L1241-L1279 HydrophobicContact CD2-CG 4.11Å; S1243-L1279 WeakPolarHBondContact CB-O 3.49Å; S1243-L1279 PolarHBondContact OG-O 2.84Å; L1271-L1279 HydrophobicContact CD1-CD1 3.69Å; L1271-L1279 HydrophobicContact CD2-CD1 3.76Å; L1271-L1279 HydrophobicContact CG-CD1 3.87Å; P1276-L1279 HydrophobicContact CG-CB 4.48Å; P1276-L1279 HydrophobicContact CG-CD1 3.83Å; P1276-L1279 HydrophobicContact CG-CG 4.07Å; P1276-L1279 PolarHBondContact O-N 3.21Å; S1277-L1279 PolarHBondContact O-N 3.33Å; L1279-L1281 HydrophobicContact CB-CD1 3.88Å; L1279-L1281 HydrophobicContact CB-CG 3.71Å; L1279-L1281 HydrophobicContact CD1-CD1 3.97Å; L1279-L1281 PolarHBondContact O-N 2.81Å |
| 1280 | S | 77.5 | Confident | 81.6 | Confident | 87 Ų | 87 | 67 Ų | 67 | 61% | 0.608 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 25.6 | -171 | -58.9 | 0 | 0 | 0 | 0 | 114 | S1277 | S1277-S1280 WeakPolarHBondContact O-CA 3.29Å; S1277-S1280 PolarHBondContact O-N 3.24Å |
| 1281 | L | 75.2 | Confident | 81.8 | Confident | 15 Ų | 15 | 68.8 Ų | 68.8 | 8% | 0.079 | 38% | 0.381 | C | S | . | . | trans | -75.9 | 149.3 | 174.8 | -62.5 | 177.9 | 0 | 0 | 0 | 110.4 | L1241 C1275 L1279 M1287 | L1241-L1281 HydrophobicContact CD1-CD2 4.35Å; C1275-L1281 HydrophobicContact CB-CB 4Å; L1279-L1281 HydrophobicContact CB-CD1 3.88Å; L1279-L1281 HydrophobicContact CB-CG 3.71Å; L1279-L1281 HydrophobicContact CD1-CD1 3.97Å; L1279-L1281 PolarHBondContact O-N 2.81Å; L1281-M1287 HydrophobicContact CD1-CE 3.76Å; L1281-M1287 HydrophobicContact CD1-SD 4.19Å; L1281-M1287 HydrophobicContact CD2-CE 4.09Å; L1281-M1287 HydrophobicContact CD2-SD 3.42Å; L1281-M1287 WeakPolarHBondContact CD2-SD 3.11Å; L1281-M1287 HydrophobicContact CG-SD 4.44Å | ||
| 1282 | K | 68.2 | Low | 82 | Confident | 158 Ų | 158 | 69.1 Ų | 69.1 | 69% | 0.687 | 38% | 0.383 | S | S | * | . | trans | -111.9 | 133.4 | 178.7 | -66.4 | 178.1 | -177.5 | 173.2 | 0 | 109.3 | G1284 S1285 | K1282-G1284 PolarHBondContact O-N 3.17Å; K1282-G1284 VanDerWaalsContact O-N 3.09Å; K1282-S1285 PolarHBondContact O-N 3.09Å; K1282-S1285 PolarHBondContact O-OG 3.45Å | ||
| 1283 | T | 67.1 | Low | 82.4 | Confident | 140 Ų | 140 | 69.9 Ų | 69.9 | 86% | 0.859 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 118.1 | 174.5 | -39.7 | 0 | 0 | 0 | 0 | 109.4 | ||
| 1284 | G | 65.4 | Low | 82.8 | Confident | 71 Ų | 71 | 64.2 Ų | 64.2 | 73% | 0.732 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.1 | 3.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | K1282 F1286 | K1282-G1284 PolarHBondContact O-N 3.17Å; K1282-G1284 VanDerWaalsContact O-N 3.09Å; G1284-F1286 PolarHBondContact O-N 3.17Å |
| 1285 | S | 66.6 | Low | 83.1 | Confident | 48 Ų | 48 | 63.6 Ų | 63.6 | 34% | 0.336 | 36% | 0.362 | S | S | . | . | trans | -73.8 | 115.5 | 167.7 | 61.4 | 0 | 0 | 0 | 0 | 110.6 | K1282 M1287 | K1282-S1285 PolarHBondContact O-N 3.09Å; K1282-S1285 PolarHBondContact O-OG 3.45Å; S1285-M1287 PolarHBondContact O-N 2.97Å; S1285-M1287 VanDerWaalsContact O-N 3.11Å | ||
| 1286 | F | 70.4 | Confident | 83.5 | Confident | 207 Ų | 207 | 70.7 Ų | 70.7 | 91% | 0.908 | 39% | 0.39 | S | S | * | . | trans | -60.1 | 112.5 | 172.7 | -71.9 | -81.5 | 0 | 0 | 0 | 110.6 | G1284 | G1284-F1286 PolarHBondContact O-N 3.17Š| ||
| 1287 | M | 80.9 | Confident | 83.9 | Confident | 21 Ų | 21 | 71.5 Ų | 71.5 | 10% | 0.103 | 39% | 0.394 | C | S | . | . | trans | -89.3 | 132.7 | 172.3 | -72.8 | -160.3 | -74.9 | 0 | 0 | 111.7 | L1241 G1246 I1248 T1272 L1281 S1285 I1289 | L1241-M1287 HydrophobicContact CD1-SD 4.15Å; G1246-M1287 CarbonylContact O-C 3.56Å; G1246-M1287 VanDerWaalsContact O-CA 3.25Å; G1246-M1287 WeakPolarHBondContact O-CA 3.25Å; I1248-M1287 HydrophobicContact CD1-CE 3.56Å; I1248-M1287 HydrophobicContact CD1-SD 3.65Å; I1248-M1287 HydrophobicContact CG1-SD 4.02Å; T1272-M1287 HydrophobicContact CG2-CE 3.92Å; L1281-M1287 HydrophobicContact CD1-CE 3.76Å; L1281-M1287 HydrophobicContact CD1-SD 4.19Å; L1281-M1287 HydrophobicContact CD2-CE 4.09Å; L1281-M1287 HydrophobicContact CD2-SD 3.42Å; L1281-M1287 WeakPolarHBondContact CD2-SD 3.11Å; L1281-M1287 HydrophobicContact CG-SD 4.44Å; S1285-M1287 PolarHBondContact O-N 2.97Å; S1285-M1287 VanDerWaalsContact O-N 3.11Å; M1287-I1289 PolarHBondContact O-N 3.14Å | ||
| 1288 | N | 88.9 | Confident | 84.4 | Confident | 87 Ų | 87 | 69.7 Ų | 69.7 | 47% | 0.465 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 93.7 | 173.1 | -177.8 | 15 | 0 | 0 | 0 | 109.5 | G1246 I1248 Q1290 | G1246-N1288 PolarHBondContact O-N 3.47Å; I1248-N1288 PolarHBondContact N-O 3.22Å; N1288-Q1290 PolarHBondContact ND2-NE2 3.41Å; N1288-Q1290 VanDerWaalsContact ND2-NE2 3.12Å |
| 1289 | I | 93.4 | Very high | 84.6 | Confident | 77 Ų | 77 | 70.8 Ų | 70.8 | 40% | 0.395 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 112 | 177.3 | -57.1 | 164.8 | 0 | 0 | 0 | 109.2 | I1248 V1268 T1272 M1287 | I1248-I1289 HydrophobicContact CB-CG1 4.36Å; I1248-I1289 HydrophobicContact CG2-CG2 4.48Å; I1248-I1289 CarbonylContact O-C 3.56Å; I1248-I1289 WeakPolarHBondContact O-CA 3.23Å; V1268-I1289 HydrophobicContact CG1-CD1 3.97Å; V1268-I1289 HydrophobicContact CG1-CG1 4.22Å; V1268-I1289 HydrophobicContact CG1-CG2 3.95Å; T1272-I1289 HydrophobicContact CG2-CD1 4.3Å; M1287-I1289 PolarHBondContact O-N 3.14Å |
| 1290 | Q | 95 | Very high | 85 | Confident | 57 Ų | 57 | 75.5 Ų | 75.5 | 27% | 0.266 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 116.8 | 176.7 | -62 | -172.6 | 46.8 | 0 | 0 | 110.1 | I1248 Y1249 L1250 N1288 | I1248-Q1290 PolarHBondContact O-N 2.9Å; Y1249-Q1290 CarbonylContact C-O 3.35Å; Y1249-Q1290 WeakPolarHBondContact CA-O 3.45Å; Y1249-Q1290 HydrophobicContact CD1-CB 3.77Å; Y1249-Q1290 HydrophobicContact CD1-CG 4.43Å; Y1249-Q1290 HydrophobicContact CE1-CB 4.18Å; Y1249-Q1290 HydrophobicContact CE1-CG 4.37Å; L1250-Q1290 PolarHBondContact N-O 3.2Å; N1288-Q1290 PolarHBondContact ND2-NE2 3.41Å; N1288-Q1290 VanDerWaalsContact ND2-NE2 3.12Å |
| 1291 | E | 96.7 | Very high | 85.7 | Confident | 100 Ų | 100 | 71.3 Ų | 71.3 | 47% | 0.467 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 120.4 | 172.3 | -173.2 | 176.3 | 160 | 0 | 0 | 110 | H1252 K1265 | H1252-E1291 IonicContact CD2-OE1 2.7Å; H1252-E1291 PolarHBondContact CD2-OE1 2.95Å; H1252-E1291 IonicContact NE2-OE1 3.62Å; H1252-E1291 PolarHBondContact NE2-OE1 3.13Å; K1265-E1291 VanDerWaalsContact CE-OE1 3.31Å; K1265-E1291 WeakPolarHBondContact CE-OE1 3.44Å; K1265-E1291 VanDerWaalsContact CE-OE2 3.31Å; K1265-E1291 WeakPolarHBondContact CE-OE2 3.31Å; K1265-E1291 IonicContact NZ-OE1 2.75Å; K1265-E1291 PolarHBondContact NZ-OE1 2.93Å; K1265-E1291 IonicContact NZ-OE2 3.79Å; K1265-E1291 PolarHBondContact NZ-OE2 3.04Å |
| 1292 | V | 96.5 | Very high | 86.4 | Confident | 8 Ų | 8 | 71.7 Ų | 71.7 | 5% | 0.048 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 125.5 | -171.8 | 178.5 | 0 | 0 | 0 | 0 | 109.6 | Y1249 L1250 W1251 H1252 E1297 | Y1249-V1292 HydrophobicContact CD1-CG2 3.83Å; Y1249-V1292 HydrophobicContact CG-CG2 4.48Å; L1250-V1292 PolarHBondContact O-N 2.92Å; W1251-V1292 CarbonylContact C-O 3.57Å; W1251-V1292 WeakPolarHBondContact CA-O 3.27Å; H1252-V1292 PolarHBondContact N-O 3.19Å; V1292-E1297 HydrophobicContact CG1-CB 3.97Å; V1292-E1297 HydrophobicContact CG1-CG 3.73Å |
| 1293 | E | 97.1 | Very high | 87.3 | Confident | 58 Ų | 58 | 70.5 Ų | 70.5 | 27% | 0.271 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 142.5 | 167.6 | -64.9 | -73.5 | 173.4 | 0 | 0 | 110.2 | R1261 G1295 K1296 | R1261-E1293 IonicContact CZ-OE1 3.91Å; R1261-E1293 IonicContact CZ-OE2 3.72Å; R1261-E1293 IonicContact NH1-OE1 2.8Å; R1261-E1293 PolarHBondContact NH1-OE1 2.85Å; R1261-E1293 IonicContact NH1-OE2 2.7Å; R1261-E1293 PolarHBondContact NH1-OE2 3.37Å; R1261-E1293 IonicContact NH2-OE1 2.62Å; R1261-E1293 IonicContact NH2-OE2 2.67Å; R1261-E1293 PolarHBondContact NH2-OE2 2.95Å; E1293-G1295 PolarHBondContact O-N 3.03Å; E1293-K1296 HydrophobicContact CB-CB 4.49Å; E1293-K1296 HydrophobicContact CB-CD 4.11Å; E1293-K1296 HydrophobicContact CB-CG 4.36Å; E1293-K1296 PolarHBondContact O-N 3.43Å |
| 1294 | E | 96.2 | Very high | 88.3 | Confident | 8 Ų | 8 | 64.4 Ų | 64.4 | 4% | 0.037 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 134.5 | 166.8 | -177.3 | 175.2 | -162.2 | 0 | 0 | 111.4 | S1234 W1251 H1252 C1254 K1296 E1297 Y1313 L1317 | S1234-E1294 VanDerWaalsContact CA-OE2 3.32Å; S1234-E1294 WeakPolarHBondContact CA-OE2 3.44Å; S1234-E1294 WeakPolarHBondContact CB-OE2 3.26Å; S1234-E1294 VanDerWaalsContact OG-CD 3.23Å; S1234-E1294 PolarHBondContact OG-OE1 3.44Å; S1234-E1294 PolarHBondContact OG-OE2 3.14Å; W1251-E1294 HydrophobicContact CH2-CB 4.27Å; W1251-E1294 HydrophobicContact CH2-CG 4.28Å; W1251-E1294 HydrophobicContact CZ2-CB 3.59Å; W1251-E1294 HydrophobicContact CZ2-CG 3.57Å; H1252-E1294 PolarHBondContact O-N 3.1Å; C1254-E1294 HydrophobicContact CB-CB 4.18Å; C1254-E1294 WeakPolarHBondContact CB-OE2 3.43Å; C1254-E1294 PolarHBondContact N-OE2 3.07Å; C1254-E1294 PolarHBondContact SG-OE2 2.88Å; E1294-K1296 VanDerWaalsContact C-N 3.31Å; E1294-E1297 WeakPolarHBondContact CA-OE1 3.21Å; E1294-Y1313 VanDerWaalsContact OE1-CE2 3.25Å; E1294-Y1313 WeakPolarHBondContact OE1-CE2 3.33Å; E1294-Y1313 PolarHBondContact OE1-OH 3.43Å; E1294-L1317 HydrophobicContact CB-CD2 4.48Å; E1294-L1317 HydrophobicContact CG-CD1 4.03Å; E1294-L1317 HydrophobicContact CG-CD2 3.96Å; E1294-L1317 HydrophobicContact CG-CG 3.83Å |
| 1295 | G | 91.5 | Very high | 89.2 | Confident | 39 Ų | 39 | 61.4 Ų | 61.4 | 40% | 0.402 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | -1.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | E1293 E1297 | E1293-G1295 PolarHBondContact O-N 3.03Å; G1295-E1297 VanDerWaalsContact C-OE2 3.3Å; G1295-E1297 VanDerWaalsContact CA-OE2 3.26Å; G1295-E1297 WeakPolarHBondContact CA-OE2 3.33Å; G1295-E1297 PolarHBondContact N-OE1 3.1Å; G1295-E1297 PolarHBondContact N-OE2 2.8Å |
| 1296 | K | 93.6 | Very high | 89.9 | Confident | 163 Ų | 163 | 61.1 Ų | 61.1 | 71% | 0.709 | 33% | 0.325 | S | S | * | . | trans | -124.6 | 20 | 176 | -55.2 | -175.7 | -167.3 | 161.5 | 0 | 113.1 | E1293 E1294 | E1293-K1296 HydrophobicContact CB-CB 4.49Å; E1293-K1296 HydrophobicContact CB-CD 4.11Å; E1293-K1296 HydrophobicContact CB-CG 4.36Å; E1293-K1296 PolarHBondContact O-N 3.43Å; E1294-K1296 VanDerWaalsContact C-N 3.31Å | ||
| 1297 | E | 93.8 | Very high | 90.1 | Very high | 18 Ų | 18 | 59.1 Ų | 59.1 | 8% | 0.084 | 32% | 0.319 | C | S | . | . | trans | -71.2 | 133.7 | -174.5 | -46 | 86.4 | 158.1 | 0 | 0 | 111.4 | W1251 V1292 E1294 G1295 Y1301 W1302 R1310 | W1251-E1297 PolarHBondContact NE1-OE1 3.23Å; V1292-E1297 HydrophobicContact CG1-CB 3.97Å; V1292-E1297 HydrophobicContact CG1-CG 3.73Å; E1294-E1297 WeakPolarHBondContact CA-OE1 3.21Å; G1295-E1297 VanDerWaalsContact C-OE2 3.3Å; G1295-E1297 VanDerWaalsContact CA-OE2 3.26Å; G1295-E1297 WeakPolarHBondContact CA-OE2 3.33Å; G1295-E1297 PolarHBondContact N-OE1 3.1Å; G1295-E1297 PolarHBondContact N-OE2 2.8Å; E1297-Y1301 HydrophobicContact CB-CD1 3.61Å; E1297-Y1301 HydrophobicContact CB-CE1 4.17Å; E1297-Y1301 HydrophobicContact CB-CG 4Å; E1297-Y1301 HydrophobicContact CG-CD1 3.87Å; E1297-Y1301 HydrophobicContact CG-CE1 3.89Å; E1297-W1302 HydrophobicContact CB-CZ2 4.06Å; E1297-W1302 HydrophobicContact CG-CZ2 4.01Å; E1297-R1310 IonicContact OE1-CZ 2.7Å; E1297-R1310 IonicContact OE1-NH1 3.86Å; E1297-R1310 PolarHBondContact OE1-NH1 3.02Å; E1297-R1310 IonicContact OE1-NH2 3.83Å; E1297-R1310 PolarHBondContact OE1-NH2 2.7Å; E1297-R1310 IonicContact OE2-CZ 3.61Å; E1297-R1310 IonicContact OE2-NH1 2.83Å; E1297-R1310 IonicContact OE2-NH2 2.6Å; E1297-R1310 PolarHBondContact OE2-NH2 2.76Å | ||
| 1298 | P | 92.7 | Very high | 90.2 | Very high | 36 Ų | 36 | 63.3 Ų | 63.3 | 23% | 0.234 | 34% | 0.339 | C | S | . | . | trans | -69 | 163.6 | -179.8 | 28.9 | -34.3 | 0 | 0 | 0 | 111.9 | Y1249 E1300 Y1301 W1302 | Y1249-P1298 HydrophobicContact CD1-CG 4.28Å; Y1249-P1298 HydrophobicContact CE1-CG 3.69Å; P1298-E1300 PolarHBondContact O-N 3.31Å; P1298-Y1301 WeakPolarHBondContact O-CB 3.49Å; P1298-Y1301 PolarHBondContact O-N 3.17Å; P1298-Y1301 VanDerWaalsContact O-N 3.11Å; P1298-W1302 VanDerWaalsContact O-CD1 3.29Å; P1298-W1302 PolarHBondContact O-N 2.87Å | ||
| 1299 | S | 89.1 | Confident | 90 | Very high | 86 Ų | 86 | 60.9 Ų | 60.9 | 60% | 0.601 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -58.6 | -33.5 | 177 | 45.5 | 0 | 0 | 0 | 0 | 113.1 | Y1301 W1302 N1303 | S1299-Y1301 VanDerWaalsContact C-N 3.32Å; S1299-Y1301 PolarHBondContact O-N 2.9Å; S1299-W1302 PolarHBondContact O-N 2.98Å; S1299-N1303 PolarHBondContact O-N 2.8Å; S1299-N1303 PolarHBondContact O-OD1 3.37Å |
| 1300 | E | 89.7 | Confident | 89.6 | Confident | 101 Ų | 101 | 60.1 Ų | 60.1 | 47% | 0.472 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61 | -38.8 | 176.4 | -64.5 | 160.9 | 176.1 | 0 | 0 | 112.4 | Y1249 P1298 W1302 N1303 A1304 | Y1249-E1300 WeakPolarHBondContact OH-CB 3.36Å; Y1249-E1300 PolarHBondContact OH-OE2 3.12Å; P1298-E1300 PolarHBondContact O-N 3.31Å; E1300-W1302 VanDerWaalsContact C-N 3.33Å; E1300-W1302 PolarHBondContact O-N 3.22Å; E1300-N1303 WeakPolarHBondContact O-CB 3.19Å; E1300-N1303 PolarHBondContact O-N 2.84Å; E1300-A1304 PolarHBondContact O-N 3.23Å; E1300-A1304 VanDerWaalsContact O-N 3.1Å |
| 1301 | Y | 91.7 | Very high | 89 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.6 | -37.1 | 176.3 | -176.4 | -87 | 0 | 0 | 0 | 111.8 | L1232 L1240 Y1249 W1251 E1297 P1298 S1299 A1304 I1305 | L1232-Y1301 WeakPolarHBondContact CD2-OH 3.23Å; L1240-Y1301 HydrophobicContact CB-CE2 4.1Å; L1240-Y1301 HydrophobicContact CD2-CD2 3.44Å; L1240-Y1301 VanDerWaalsContact CD2-CD2 3.44Å; L1240-Y1301 HydrophobicContact CD2-CE2 3.57Å; L1240-Y1301 HydrophobicContact CD2-CG 4.11Å; L1240-Y1301 HydrophobicContact CG-CE2 4.5Å; Y1249-Y1301 HydrophobicContact CD1-CD2 4.44Å; Y1249-Y1301 AromaticContact CD2-CD2 3.99Å; Y1249-Y1301 HydrophobicContact CD2-CD2 3.99Å; Y1249-Y1301 AromaticContact CG-CD2 3.83Å; Y1249-Y1301 HydrophobicContact CG-CD2 3.83Å; W1251-Y1301 HydrophobicContact CB-CE2 4.02Å; W1251-Y1301 WeakPolarHBondContact CB-OH 3.36Å; W1251-Y1301 AromaticContact CD1-CE1 3.94Å; W1251-Y1301 AromaticContact CD1-CE2 3.96Å; W1251-Y1301 AromaticContact CD1-CZ 3.43Å; W1251-Y1301 VanDerWaalsContact CD1-CZ 3.43Å; W1251-Y1301 HydrophobicContact CG-CE2 4.26Å; W1251-Y1301 AromaticContact CG-CZ 3.85Å; W1251-Y1301 VanDerWaalsContact CG-OH 3.23Å; E1297-Y1301 HydrophobicContact CB-CD1 3.61Å; E1297-Y1301 HydrophobicContact CB-CE1 4.17Å; E1297-Y1301 HydrophobicContact CB-CG 4Å; E1297-Y1301 HydrophobicContact CG-CD1 3.87Å; E1297-Y1301 HydrophobicContact CG-CE1 3.89Å; P1298-Y1301 WeakPolarHBondContact O-CB 3.49Å; P1298-Y1301 PolarHBondContact O-N 3.17Å; P1298-Y1301 VanDerWaalsContact O-N 3.11Å; S1299-Y1301 VanDerWaalsContact C-N 3.32Å; S1299-Y1301 PolarHBondContact O-N 2.9Å; Y1301-A1304 PolarHBondContact O-N 2.8Å; Y1301-I1305 HydrophobicContact CD1-CD1 4.31Å; Y1301-I1305 HydrophobicContact CE1-CD1 3.6Å; Y1301-I1305 HydrophobicContact CE2-CD1 4.15Å; Y1301-I1305 VanDerWaalsContact CZ-CD1 3.48Å; Y1301-I1305 PolarHBondContact O-N 2.75Å; Y1301-I1305 VanDerWaalsContact O-N 3.13Å; Y1301-I1305 WeakPolarHBondContact OH-CD1 3.44Å |
| 1302 | W | 89.4 | Confident | 88.4 | Confident | 22 Ų | 22 | 59 Ų | 59 | 8% | 0.083 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -73.6 | -37.5 | 173.6 | -63.5 | 106.4 | 0 | 0 | 0 | 112.3 | L1232 E1297 P1298 S1299 E1300 A1304 I1305 G1306 Q1308 | L1232-W1302 HydrophobicContact CD1-CH2 4.19Å; L1232-W1302 HydrophobicContact CD1-CZ3 4.42Å; E1297-W1302 HydrophobicContact CB-CZ2 4.06Å; E1297-W1302 HydrophobicContact CG-CZ2 4.01Å; P1298-W1302 VanDerWaalsContact O-CD1 3.29Å; P1298-W1302 PolarHBondContact O-N 2.87Å; S1299-W1302 PolarHBondContact O-N 2.98Å; E1300-W1302 VanDerWaalsContact C-N 3.33Å; E1300-W1302 PolarHBondContact O-N 3.22Å; W1302-A1304 PolarHBondContact O-N 3Å; W1302-I1305 PolarHBondContact O-N 3.3Å; W1302-G1306 CarbonylContact O-C 3.24Å; W1302-G1306 WeakPolarHBondContact O-CA 3.2Å; W1302-G1306 PolarHBondContact O-N 3.28Å; W1302-Q1308 HydrophobicContact CD2-CB 3.9Å; W1302-Q1308 HydrophobicContact CD2-CG 3.75Å; W1302-Q1308 HydrophobicContact CE3-CB 3.68Å; W1302-Q1308 HydrophobicContact CE3-CG 3.72Å; W1302-Q1308 HydrophobicContact CG-CB 4.41Å; W1302-Q1308 HydrophobicContact CG-CG 4.48Å; W1302-Q1308 HydrophobicContact CH2-CG 3.96Å; W1302-Q1308 HydrophobicContact CZ2-CG 3.96Å; W1302-Q1308 HydrophobicContact CZ3-CB 4.13Å; W1302-Q1308 HydrophobicContact CZ3-CG 3.83Å; W1302-Q1308 VanDerWaalsContact NE1-NE2 3.11Å |
| 1303 | N | 87.2 | Confident | 88.1 | Confident | 133 Ų | 133 | 58.8 Ų | 58.8 | 71% | 0.711 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -59.2 | -28.9 | 173.1 | -63.8 | -13.8 | 0 | 0 | 0 | 112.4 | S1299 E1300 | S1299-N1303 PolarHBondContact O-N 2.8Å; S1299-N1303 PolarHBondContact O-OD1 3.37Å; E1300-N1303 WeakPolarHBondContact O-CB 3.19Å; E1300-N1303 PolarHBondContact O-N 2.84Å |
| 1304 | A | 88.1 | Confident | 87.9 | Confident | 13 Ų | 13 | 57.7 Ų | 57.7 | 11% | 0.107 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -81.6 | -40.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | W1207 L1240 E1300 Y1301 W1302 | W1207-A1304 HydrophobicContact CB-CB 4.4Å; W1207-A1304 HydrophobicContact CD2-CB 3.28Å; W1207-A1304 VanDerWaalsContact CE2-CB 3.43Å; W1207-A1304 HydrophobicContact CE3-CB 3.69Å; W1207-A1304 HydrophobicContact CG-CB 3.6Å; W1207-A1304 HydrophobicContact CH2-CB 4.36Å; W1207-A1304 HydrophobicContact CZ2-CB 3.99Å; W1207-A1304 HydrophobicContact CZ3-CB 4.21Å; L1240-A1304 HydrophobicContact CD1-CB 4.44Å; L1240-A1304 HydrophobicContact CD2-CB 3.82Å; E1300-A1304 PolarHBondContact O-N 3.23Å; E1300-A1304 VanDerWaalsContact O-N 3.1Å; Y1301-A1304 PolarHBondContact O-N 2.8Å; W1302-A1304 PolarHBondContact O-N 3Å |
| 1305 | I | 85.6 | Confident | 87.7 | Confident | 7 Ų | 7 | 59.1 Ų | 59.1 | 4% | 0.036 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -92.5 | -9.9 | -176 | -69.4 | -167.9 | 0 | 0 | 0 | 112.8 | L1209 S1228 C1229 L1232 L1240 Y1301 W1302 | L1209-I1305 HydrophobicContact CD1-CD1 4.31Å; L1209-I1305 HydrophobicContact CD2-CD1 4.29Å; S1228-I1305 VanDerWaalsContact C-CG2 3.47Å; C1229-I1305 HydrophobicContact CB-CG2 4.05Å; C1229-I1305 VanDerWaalsContact N-CG2 3.31Å; L1232-I1305 HydrophobicContact CD2-CD1 4.08Å; L1240-I1305 HydrophobicContact CD1-CD1 4.36Å; L1240-I1305 HydrophobicContact CD1-CG1 4.08Å; L1240-I1305 HydrophobicContact CD2-CD1 4.04Å; L1240-I1305 HydrophobicContact CD2-CG1 3.95Å; Y1301-I1305 HydrophobicContact CD1-CD1 4.31Å; Y1301-I1305 HydrophobicContact CE1-CD1 3.6Å; Y1301-I1305 HydrophobicContact CE2-CD1 4.15Å; Y1301-I1305 VanDerWaalsContact CZ-CD1 3.48Å; Y1301-I1305 PolarHBondContact O-N 2.75Å; Y1301-I1305 VanDerWaalsContact O-N 3.13Å; Y1301-I1305 WeakPolarHBondContact OH-CD1 3.44Å; W1302-I1305 PolarHBondContact O-N 3.3Å |
| 1306 | G | 81 | Confident | 87.7 | Confident | 42 Ų | 42 | 57.8 Ų | 57.8 | 43% | 0.433 | 30% | 0.302 | S | S | . | . | trans | 91.8 | -143.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | W1302 Q1308 | W1302-G1306 CarbonylContact O-C 3.24Å; W1302-G1306 WeakPolarHBondContact O-CA 3.2Å; W1302-G1306 PolarHBondContact O-N 3.28Å; G1306-Q1308 PolarHBondContact O-N 2.84Å | ||
| 1307 | Q | 74.7 | Confident | 87.5 | Confident | 165 Ų | 165 | 53.2 Ų | 53.2 | 77% | 0.771 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -61.3 | 129.3 | -174.8 | -177 | 173.2 | -22.9 | 0 | 0 | 111.7 | D1309 | Q1307-D1309 PolarHBondContact O-N 2.73Š|
| 1308 | Q | 82.6 | Confident | 87.2 | Confident | 110 Ų | 110 | 61.5 Ų | 61.5 | 51% | 0.514 | 32% | 0.324 | S | S | . | . | trans | -71.2 | 69.6 | 174.1 | -171.9 | -178.2 | 56.9 | 0 | 0 | 111.3 | W1302 G1306 | W1302-Q1308 HydrophobicContact CD2-CB 3.9Å; W1302-Q1308 HydrophobicContact CD2-CG 3.75Å; W1302-Q1308 HydrophobicContact CE3-CB 3.68Å; W1302-Q1308 HydrophobicContact CE3-CG 3.72Å; W1302-Q1308 HydrophobicContact CG-CB 4.41Å; W1302-Q1308 HydrophobicContact CG-CG 4.48Å; W1302-Q1308 HydrophobicContact CH2-CG 3.96Å; W1302-Q1308 HydrophobicContact CZ2-CG 3.96Å; W1302-Q1308 HydrophobicContact CZ3-CB 4.13Å; W1302-Q1308 HydrophobicContact CZ3-CG 3.83Å; W1302-Q1308 VanDerWaalsContact NE1-NE2 3.11Å; G1306-Q1308 PolarHBondContact O-N 2.84Å | ||
| 1309 | D | 84.1 | Confident | 86.9 | Confident | 36 Ų | 36 | 62.8 Ų | 62.8 | 19% | 0.193 | 33% | 0.329 | C | S | . | . | trans | -101.2 | 90.3 | 171.9 | -175.1 | 18 | 0 | 0 | 0 | 111.7 | C1229 Q1307 K1311 S1312 | C1229-D1309 PolarHBondContact SG-O 3.48Å; Q1307-D1309 PolarHBondContact O-N 2.73Å; D1309-K1311 PolarHBondContact O-N 3.43Å; D1309-K1311 VanDerWaalsContact OD1-CB 3.23Å; D1309-K1311 WeakPolarHBondContact OD1-CB 3.47Å; D1309-K1311 PolarHBondContact OD1-N 3.33Å; D1309-S1312 WeakPolarHBondContact O-CB 3.43Å; D1309-S1312 PolarHBondContact O-N 3.35Å; D1309-S1312 PolarHBondContact O-OG 2.96Å | ||
| 1310 | R | 85.4 | Confident | 86.8 | Confident | 61 Ų | 61 | 64.9 Ų | 64.9 | 23% | 0.23 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | 8.8 | 172.6 | -60 | -164.2 | -166.3 | -96.4 | 3.8 | 114.5 | E1297 Y1313 C1315 | E1297-R1310 IonicContact OE1-CZ 2.7Å; E1297-R1310 IonicContact OE1-NH1 3.86Å; E1297-R1310 PolarHBondContact OE1-NH1 3.02Å; E1297-R1310 IonicContact OE1-NH2 3.83Å; E1297-R1310 PolarHBondContact OE1-NH2 2.7Å; E1297-R1310 IonicContact OE2-CZ 3.61Å; E1297-R1310 IonicContact OE2-NH1 2.83Å; E1297-R1310 IonicContact OE2-NH2 2.6Å; E1297-R1310 PolarHBondContact OE2-NH2 2.76Å; R1310-Y1313 HydrophobicContact CB-CE1 4.22Å; R1310-Y1313 HydrophobicContact CG-CE1 4.2Å; R1310-Y1313 PolarHBondContact NH1-OH 2.92Å; R1310-C1315 HydrophobicContact CB-CB 4.11Å; R1310-C1315 VanDerWaalsContact O-CB 3.25Å; R1310-C1315 WeakPolarHBondContact O-CB 3.44Å |
| 1311 | K | 81.6 | Confident | 86.6 | Confident | 104 Ų | 104 | 61.2 Ų | 61.2 | 45% | 0.452 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -7.2 | 165.9 | -53.3 | -180 | 177.8 | -175.6 | 0 | 113.4 | C577 D1309 Y1313 L1433 | C577-K1311 HydrophobicContact CB-CD 4.39Å; D1309-K1311 PolarHBondContact O-N 3.43Å; D1309-K1311 VanDerWaalsContact OD1-CB 3.23Å; D1309-K1311 WeakPolarHBondContact OD1-CB 3.47Å; D1309-K1311 PolarHBondContact OD1-N 3.33Å; K1311-Y1313 PolarHBondContact O-N 3.36Å; K1311-L1433 WeakPolarHBondContact O-CD1 3.38Å |
| 1312 | S | 84.5 | Confident | 86.3 | Confident | 30 Ų | 30 | 69.1 Ų | 69.1 | 21% | 0.21 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -10.3 | 175.6 | 62.2 | 0 | 0 | 0 | 0 | 113.4 | C1229 S1230 D1309 | C1229-S1312 VanDerWaalsContact C-OG 3.28Å; C1229-S1312 WeakPolarHBondContact CB-OG 3.32Å; C1229-S1312 PolarHBondContact SG-OG 3.17Å; C1229-S1312 VanDerWaalsContact SG-OG 3.37Å; S1230-S1312 WeakPolarHBondContact CA-O 3.41Å; S1230-S1312 PolarHBondContact N-OG 3.02Å; D1309-S1312 WeakPolarHBondContact O-CB 3.43Å; D1309-S1312 PolarHBondContact O-N 3.35Å; D1309-S1312 PolarHBondContact O-OG 2.96Å |
| 1313 | Y | 91.2 | Very high | 86.4 | Confident | 3 Ų | 3 | 68.7 Ų | 68.7 | 1% | 0.012 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -143.5 | 161.1 | 177.7 | 78.9 | -88.1 | 0 | 0 | 0 | 110.3 | C1229 L1232 E1294 R1310 K1311 C1315 | C1229-Y1313 VanDerWaalsContact O-CD1 3.31Å; C1229-Y1313 WeakPolarHBondContact O-CD1 3.4Å; L1232-Y1313 HydrophobicContact CB-CD1 3.89Å; L1232-Y1313 HydrophobicContact CB-CD2 3.99Å; L1232-Y1313 HydrophobicContact CB-CE1 4.01Å; L1232-Y1313 HydrophobicContact CB-CE2 4.1Å; L1232-Y1313 HydrophobicContact CB-CG 3.89Å; L1232-Y1313 HydrophobicContact CD1-CD1 4.31Å; L1232-Y1313 HydrophobicContact CD1-CE1 3.86Å; L1232-Y1313 WeakPolarHBondContact O-CB 3.25Å; E1294-Y1313 VanDerWaalsContact OE1-CE2 3.25Å; E1294-Y1313 WeakPolarHBondContact OE1-CE2 3.33Å; E1294-Y1313 PolarHBondContact OE1-OH 3.43Å; R1310-Y1313 HydrophobicContact CB-CE1 4.22Å; R1310-Y1313 HydrophobicContact CG-CE1 4.2Å; R1310-Y1313 PolarHBondContact NH1-OH 2.92Å; K1311-Y1313 PolarHBondContact O-N 3.36Å; Y1313-C1315 VanDerWaalsContact C-N 3.33Å; Y1313-C1315 HydrophobicContact CD2-CB 4.2Å; Y1313-C1315 HydrophobicContact CE1-CB 4.26Å; Y1313-C1315 HydrophobicContact CE2-CB 3.66Å; Y1313-C1315 PolarHBondContact O-N 3.29Å |
| 1314 | D | 91.6 | Very high | 86.5 | Confident | 35 Ų | 35 | 67.5 Ų | 67.5 | 19% | 0.187 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 83.6 | 176.2 | -173.3 | 20.4 | 0 | 0 | 0 | 111.6 | S1234 M1316 L1433 N1437 | S1234-D1314 PolarHBondContact OG-O 3.42Å; S1234-D1314 VanDerWaalsContact OG-O 3.1Å; D1314-M1316 PolarHBondContact O-N 3.3Å; D1314-M1316 WeakPolarHBondContact OD2-CE 3.37Å; D1314-L1433 HydrophobicContact CB-CB 4.17Å; D1314-N1437 HydrophobicContact CB-CB 4Å; D1314-N1437 PolarHBondContact N-ND2 2.86Å |
| 1315 | C | 92.3 | Very high | 86.7 | Confident | 38 Ų | 38 | 67.7 Ų | 67.7 | 26% | 0.257 | 36% | 0.355 | S | S | . | . | trans | -82.3 | 95.2 | -173.5 | 170.2 | 0 | 0 | 0 | 0 | 112.6 | R1310 Y1313 L1317 | R1310-C1315 HydrophobicContact CB-CB 4.11Å; R1310-C1315 VanDerWaalsContact O-CB 3.25Å; R1310-C1315 WeakPolarHBondContact O-CB 3.44Å; Y1313-C1315 VanDerWaalsContact C-N 3.33Å; Y1313-C1315 HydrophobicContact CD2-CB 4.2Å; Y1313-C1315 HydrophobicContact CE1-CB 4.26Å; Y1313-C1315 HydrophobicContact CE2-CB 3.66Å; Y1313-C1315 PolarHBondContact O-N 3.29Å; C1315-L1317 VanDerWaalsContact C-N 3.25Å; C1315-L1317 PolarHBondContact O-N 3.24Å; C1315-L1317 VanDerWaalsContact O-N 3.13Å | ||
| 1316 | M | 92.8 | Very high | 87.1 | Confident | 11 Ų | 11 | 69 Ų | 69 | 5% | 0.054 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -80.7 | 12.3 | -172.4 | -58.5 | -178.9 | 174.2 | 0 | 0 | 115.6 | S1234 R1235 C1254 K1255 D1314 Q1318 D1319 F1323 | S1234-M1316 PolarHBondContact OG-N 3.11Å; R1235-M1316 HydrophobicContact CG-CE 3.91Å; R1235-M1316 HydrophobicContact CG-SD 3.65Å; C1254-M1316 VanDerWaalsContact SG-C 3.53Å; K1255-M1316 HydrophobicContact CB-SD 4.37Å; K1255-M1316 HydrophobicContact CD-CB 4.39Å; K1255-M1316 WeakPolarHBondContact CE-O 3.28Å; K1255-M1316 HydrophobicContact CG-CB 3.74Å; K1255-M1316 HydrophobicContact CG-CG 4.34Å; K1255-M1316 HydrophobicContact CG-SD 3.67Å; D1314-M1316 PolarHBondContact O-N 3.3Å; D1314-M1316 WeakPolarHBondContact OD2-CE 3.37Å; M1316-Q1318 VanDerWaalsContact C-N 3.26Å; M1316-Q1318 PolarHBondContact O-N 3.1Å; M1316-D1319 HydrophobicContact CB-CB 4.24Å; M1316-D1319 WeakPolarHBondContact O-CB 3.49Å; M1316-D1319 PolarHBondContact O-N 3.41Å; M1316-F1323 HydrophobicContact CE-CD1 3.99Å; M1316-F1323 HydrophobicContact CE-CE1 3.56Å; M1316-F1323 HydrophobicContact CE-CZ 3.97Å; M1316-F1323 HydrophobicContact CG-CZ 4.49Å; M1316-F1323 HydrophobicContact SD-CD1 3.89Å; M1316-F1323 HydrophobicContact SD-CD2 4.02Å; M1316-F1323 HydrophobicContact SD-CE1 3.7Å; M1316-F1323 HydrophobicContact SD-CE2 3.84Å; M1316-F1323 HydrophobicContact SD-CG 4.05Å; M1316-F1323 HydrophobicContact SD-CZ 3.68Å |
| 1317 | L | 89 | Confident | 87.7 | Confident | 67 Ų | 67 | 67.1 Ų | 67.1 | 35% | 0.351 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -56.6 | -32.2 | -176.4 | -85.7 | 173.7 | 0 | 0 | 0 | 115.1 | C1254 E1294 C1315 | C1254-L1317 HydrophobicContact CB-CD2 3.98Å; E1294-L1317 HydrophobicContact CB-CD2 4.48Å; E1294-L1317 HydrophobicContact CG-CD1 4.03Å; E1294-L1317 HydrophobicContact CG-CD2 3.96Å; E1294-L1317 HydrophobicContact CG-CG 3.83Å; C1315-L1317 VanDerWaalsContact C-N 3.25Å; C1315-L1317 PolarHBondContact O-N 3.24Å; C1315-L1317 VanDerWaalsContact O-N 3.13Å |
| 1318 | Q | 87 | Confident | 88.6 | Confident | 191 Ų | 191 | 61.2 Ų | 61.2 | 89% | 0.893 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -102 | -2.2 | -179.8 | -60.4 | -175.7 | 13.9 | 0 | 0 | 112.7 | M1316 | M1316-Q1318 VanDerWaalsContact C-N 3.26Å; M1316-Q1318 PolarHBondContact O-N 3.1Å |
| 1319 | D | 87.1 | Confident | 89.1 | Confident | 64 Ų | 64 | 56 Ų | 56 | 34% | 0.342 | 29% | 0.29 | S | S | . | . | trans | -78.7 | 125.9 | -178.4 | -171.5 | -70 | 0 | 0 | 0 | 110.3 | K1255 M1316 G1321 F1323 | K1255-D1319 PolarHBondContact NZ-O 3.37Å; M1316-D1319 HydrophobicContact CB-CB 4.24Å; M1316-D1319 WeakPolarHBondContact O-CB 3.49Å; M1316-D1319 PolarHBondContact O-N 3.41Å; D1319-G1321 VanDerWaalsContact C-N 3.28Å; D1319-G1321 PolarHBondContact O-N 3.07Å; D1319-G1321 WeakPolarHBondContact OD1-CA 3.47Å; D1319-G1321 PolarHBondContact OD1-N 3.33Å; D1319-F1323 HydrophobicContact CB-CE2 4.48Å; D1319-F1323 VanDerWaalsContact OD1-CE2 3.31Å; D1319-F1323 WeakPolarHBondContact OD1-CE2 3.39Å | ||
| 1320 | P | 87.3 | Confident | 89.6 | Confident | 130 Ų | 130 | 54.3 Ų | 54.3 | 84% | 0.844 | 28% | 0.281 | S | S | * | . | trans | -82.1 | -2.7 | 179.9 | 33.6 | -36.1 | 0 | 0 | 0 | 114 | ||||
| 1321 | G | 84.2 | Confident | 90 | Very high | 24 Ų | 24 | 52.5 Ų | 52.5 | 25% | 0.247 | 28% | 0.275 | C | S | . | . | trans | -72.7 | 159.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | K1255 D1319 | K1255-G1321 PolarHBondContact NZ-O 3Å; D1319-G1321 VanDerWaalsContact C-N 3.28Å; D1319-G1321 PolarHBondContact O-N 3.07Å; D1319-G1321 WeakPolarHBondContact OD1-CA 3.47Å; D1319-G1321 PolarHBondContact OD1-N 3.33Å | ||
| 1322 | K | 86.1 | Confident | 90.6 | Very high | 165 Ų | 165 | 47.6 Ų | 47.6 | 72% | 0.717 | 25% | 0.254 | S | S | * | . | trans | -110 | 111.7 | 179.1 | -63.1 | -170.1 | 177.3 | -167.8 | 0 | 109.6 | N1324 | K1322-N1324 VanDerWaalsContact C-N 3.26Å; K1322-N1324 PolarHBondContact O-N 3.42Å | ||
| 1323 | F | 90.6 | Very high | 90.8 | Very high | 14 Ų | 14 | 46.8 Ų | 46.8 | 6% | 0.061 | 25% | 0.248 | C | C | . | . | trans | -94.6 | 36.2 | -172 | -68.7 | -97.6 | 0 | 0 | 0 | 113.1 | R1235 K1255 M1316 D1319 F1325 L1379 | R1235-F1323 PolarHBondContact NH2-O 3.09Å; K1255-F1323 HydrophobicContact CB-CB 4.22Å; K1255-F1323 HydrophobicContact CB-CD2 4.34Å; K1255-F1323 HydrophobicContact CB-CG 4.49Å; K1255-F1323 HydrophobicContact CD-CD2 3.76Å; K1255-F1323 HydrophobicContact CD-CE2 4.26Å; K1255-F1323 HydrophobicContact CG-CD2 3.78Å; K1255-F1323 HydrophobicContact CG-CE2 4.33Å; K1255-F1323 HydrophobicContact CG-CG 4.34Å; M1316-F1323 HydrophobicContact CE-CD1 3.99Å; M1316-F1323 HydrophobicContact CE-CE1 3.56Å; M1316-F1323 HydrophobicContact CE-CZ 3.97Å; M1316-F1323 HydrophobicContact CG-CZ 4.49Å; M1316-F1323 HydrophobicContact SD-CD1 3.89Å; M1316-F1323 HydrophobicContact SD-CD2 4.02Å; M1316-F1323 HydrophobicContact SD-CE1 3.7Å; M1316-F1323 HydrophobicContact SD-CE2 3.84Å; M1316-F1323 HydrophobicContact SD-CG 4.05Å; M1316-F1323 HydrophobicContact SD-CZ 3.68Å; D1319-F1323 HydrophobicContact CB-CE2 4.48Å; D1319-F1323 VanDerWaalsContact OD1-CE2 3.31Å; D1319-F1323 WeakPolarHBondContact OD1-CE2 3.39Å; F1323-F1325 HydrophobicContact CB-CE1 4.16Å; F1323-F1325 AromaticContact CD1-CE1 3.88Å; F1323-F1325 HydrophobicContact CD1-CE1 3.88Å; F1323-F1325 AromaticContact CD1-CZ 3.85Å; F1323-F1325 HydrophobicContact CD1-CZ 3.85Å; F1323-F1325 HydrophobicContact CG-CE1 4.3Å; F1323-F1325 PolarHBondContact O-N 3.32Å; F1323-L1379 HydrophobicContact CE1-CD1 3.73Å; F1323-L1379 HydrophobicContact CZ-CD1 3.78Å | ||
| 1324 | N | 90.7 | Very high | 90.7 | Very high | 107 Ų | 107 | 47.4 Ų | 47.4 | 57% | 0.572 | 25% | 0.254 | S | S | * | . | trans | -85.6 | 56.7 | -172.6 | -62.5 | 30.2 | 0 | 0 | 0 | 111.2 | K1322 I1354 | K1322-N1324 VanDerWaalsContact C-N 3.26Å; K1322-N1324 PolarHBondContact O-N 3.42Å; N1324-I1354 HydrophobicContact CB-CD1 3.9Å | ||
| 1325 | F | 91.8 | Very high | 90.1 | Very high | 17 Ų | 17 | 49.8 Ų | 49.8 | 8% | 0.075 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -150.4 | 147.3 | -177.3 | 60.4 | -96.9 | 0 | 0 | 0 | 110.7 | R1235 F1323 N1377 Y1378 | R1235-F1325 VanDerWaalsContact NH1-CE2 3.33Å; R1235-F1325 PolarHBondContact NH2-O 2.81Å; F1323-F1325 HydrophobicContact CB-CE1 4.16Å; F1323-F1325 AromaticContact CD1-CE1 3.88Å; F1323-F1325 HydrophobicContact CD1-CE1 3.88Å; F1323-F1325 AromaticContact CD1-CZ 3.85Å; F1323-F1325 HydrophobicContact CD1-CZ 3.85Å; F1323-F1325 HydrophobicContact CG-CE1 4.3Å; F1323-F1325 PolarHBondContact O-N 3.32Å; F1325-N1377 VanDerWaalsContact CE2-O 3.28Å; F1325-N1377 WeakPolarHBondContact CE2-O 3.47Å; F1325-N1377 WeakPolarHBondContact CE2-OD1 3.3Å; F1325-N1377 WeakPolarHBondContact CZ-O 3.5Å; F1325-Y1378 HydrophobicContact CB-CD2 3.91Å; F1325-Y1378 HydrophobicContact CB-CG 4.15Å; F1325-Y1378 AromaticContact CD1-CD1 3.81Å; F1325-Y1378 HydrophobicContact CD1-CD1 3.81Å; F1325-Y1378 HydrophobicContact CD1-CD2 4.22Å; F1325-Y1378 AromaticContact CD1-CG 3.61Å; F1325-Y1378 HydrophobicContact CD1-CG 3.61Å; F1325-Y1378 HydrophobicContact CD2-CG 4.16Å; F1325-Y1378 HydrophobicContact CE1-CD1 4Å; F1325-Y1378 AromaticContact CE1-CG 4Å; F1325-Y1378 HydrophobicContact CE1-CG 4Å; F1325-Y1378 VanDerWaalsContact CE2-CB 3.44Å; F1325-Y1378 VanDerWaalsContact CG-CB 3.45Å; F1325-Y1378 HydrophobicContact CG-CD1 4.38Å; F1325-Y1378 HydrophobicContact CG-CD2 4Å; F1325-Y1378 AromaticContact CG-CG 3.71Å; F1325-Y1378 HydrophobicContact CG-CG 3.71Å; F1325-Y1378 HydrophobicContact CZ-CG 4.45Å |
| 1326 | T | 93 | Very high | 89.4 | Confident | 36 Ų | 36 | 49.2 Ų | 49.2 | 22% | 0.221 | 26% | 0.26 | C | S | . | . | trans | -86.7 | 127.9 | 168.8 | -56.1 | 0 | 0 | 0 | 0 | 108.8 | V1353 T1355 P1358 | T1326-V1353 PolarHBondContact OG1-O 3Å; T1326-T1355 PolarHBondContact OG1-N 2.83Å; T1326-P1358 HydrophobicContact CG2-CB 4.48Å; T1326-P1358 HydrophobicContact CG2-CG 4.16Å | ||
| 1327 | P | 94.2 | Very high | 88.5 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.013 | 28% | 0.275 | C | S | . | . | trans | -59.9 | 147.4 | 171 | -21.5 | 33.5 | 0 | 0 | 0 | 111.6 | T1355 L1375 D1376 I1438 | P1327-T1355 WeakPolarHBondContact CD-O 3.43Å; P1327-L1375 HydrophobicContact CB-CD1 4.24Å; P1327-D1376 WeakPolarHBondContact CA-O 2.91Å; P1327-I1438 HydrophobicContact CG-CB 4.35Å; P1327-I1438 HydrophobicContact CG-CG2 4.27Å | ||
| 1328 | R | 93.2 | Very high | 88.2 | Confident | 40 Ų | 40 | 49.7 Ų | 49.7 | 15% | 0.151 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 130.5 | 176.8 | -60 | 173.1 | 73.7 | -163.6 | 2.6 | 110 | L1055 F1056 F1330 E1343 L1375 D1376 Y1411 | L1055-R1328 PolarHBondContact O-NH1 3.48Å; L1055-R1328 PolarHBondContact O-NH2 2.91Å; F1056-R1328 PolarHBondContact O-NH1 3.17Å; R1328-F1330 HydrophobicContact CB-CE2 3.74Å; R1328-F1330 HydrophobicContact CB-CZ 3.94Å; R1328-E1343 IonicContact CZ-OE1 3.55Å; R1328-E1343 IonicContact CZ-OE2 3.67Å; R1328-E1343 IonicContact NE-OE1 3.86Å; R1328-E1343 PolarHBondContact NE-OE1 3.35Å; R1328-E1343 IonicContact NE-OE2 3.92Å; R1328-E1343 VanDerWaalsContact NH2-CD 3.31Å; R1328-E1343 IonicContact NH2-OE1 2.72Å; R1328-E1343 PolarHBondContact NH2-OE1 3.26Å; R1328-E1343 IonicContact NH2-OE2 2.67Å; R1328-E1343 PolarHBondContact NH2-OE2 3.15Å; R1328-L1375 CarbonylContact O-C 3.58Å; R1328-L1375 WeakPolarHBondContact O-CA 3.49Å; R1328-D1376 HydrophobicContact CB-CB 4.39Å; R1328-D1376 PolarHBondContact N-O 3.47Å; R1328-D1376 PolarHBondContact O-N 2.83Å; R1328-Y1411 PolarHBondContact NH1-OH 2.84Å |
| 1329 | L | 94.1 | Very high | 88.3 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 133.8 | 179.3 | -179.3 | 64.6 | 0 | 0 | 0 | 108.7 | L1344 F1359 L1364 F1373 L1374 L1375 | L1329-L1344 HydrophobicContact CD2-CD1 3.91Å; L1329-L1344 HydrophobicContact CG-CD1 4.24Å; L1329-L1344 PolarHBondContact O-N 3.31Å; L1329-F1359 HydrophobicContact CB-CD2 3.73Å; L1329-F1359 HydrophobicContact CB-CE1 4.27Å; L1329-F1359 HydrophobicContact CB-CE2 3.31Å; L1329-F1359 HydrophobicContact CB-CG 4.38Å; L1329-F1359 HydrophobicContact CB-CZ 3.63Å; L1329-F1359 HydrophobicContact CD2-CB 4.43Å; L1329-F1359 HydrophobicContact CD2-CD1 4.5Å; L1329-F1359 HydrophobicContact CD2-CD2 3.97Å; L1329-F1359 HydrophobicContact CD2-CE2 4.41Å; L1329-F1359 HydrophobicContact CD2-CG 4.03Å; L1329-F1359 HydrophobicContact CG-CE2 4.49Å; L1329-L1364 HydrophobicContact CD1-CD2 4.42Å; L1329-L1364 HydrophobicContact CD2-CD2 4.33Å; L1329-F1373 HydrophobicContact CD1-CB 3.98Å; L1329-F1373 HydrophobicContact CD1-CD1 3.76Å; L1329-F1373 HydrophobicContact CD1-CG 4.21Å; L1329-F1373 HydrophobicContact CD2-CD1 4.38Å; L1329-F1373 HydrophobicContact CG-CD1 3.96Å; L1329-F1373 HydrophobicContact CG-CE1 4.47Å; L1329-L1374 CarbonylContact C-O 3.55Å; L1329-L1374 WeakPolarHBondContact CA-O 3.27Å; L1329-L1375 HydrophobicContact CB-CD1 4.41Å; L1329-L1375 HydrophobicContact CD1-CB 4.09Å; L1329-L1375 HydrophobicContact CD1-CD1 4.39Å |
| 1330 | F | 94 | Very high | 88.4 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 129 | 179.4 | -49.2 | -99.8 | 0 | 0 | 0 | 110 | L1055 R1328 L1332 L1342 E1343 F1373 L1374 Y1411 | L1055-F1330 HydrophobicContact CD1-CB 4.44Å; L1055-F1330 HydrophobicContact CD1-CD1 3.4Å; L1055-F1330 HydrophobicContact CD1-CE1 3.78Å; L1055-F1330 HydrophobicContact CD1-CG 4.08Å; L1055-F1330 HydrophobicContact CD2-CD1 4.41Å; L1055-F1330 HydrophobicContact CG-CD1 3.74Å; L1055-F1330 HydrophobicContact CG-CE1 3.67Å; L1055-F1330 HydrophobicContact CG-CG 4.34Å; L1055-F1330 HydrophobicContact CG-CZ 4.19Å; R1328-F1330 HydrophobicContact CB-CE2 3.74Å; R1328-F1330 HydrophobicContact CB-CZ 3.94Å; F1330-L1332 HydrophobicContact CB-CD2 4.38Å; F1330-L1342 CarbonylContact C-O 3.56Å; F1330-L1342 WeakPolarHBondContact CA-O 3.37Å; F1330-E1343 HydrophobicContact CD1-CB 3.57Å; F1330-E1343 HydrophobicContact CD1-CG 3.96Å; F1330-E1343 HydrophobicContact CE1-CB 3.65Å; F1330-E1343 HydrophobicContact CE1-CG 3.75Å; F1330-E1343 HydrophobicContact CZ-CG 4.43Å; F1330-F1373 CarbonylContact O-C 3.44Å; F1330-F1373 WeakPolarHBondContact O-CA 3.41Å; F1330-F1373 WeakPolarHBondContact O-CD1 3.41Å; F1330-L1374 HydrophobicContact CB-CB 4.39Å; F1330-L1374 HydrophobicContact CD2-CB 4.36Å; F1330-L1374 HydrophobicContact CD2-CD2 3.65Å; F1330-L1374 WeakPolarHBondContact CD2-O 3.19Å; F1330-L1374 HydrophobicContact CE2-CD2 3.93Å; F1330-L1374 PolarHBondContact N-O 3.45Å; F1330-L1374 PolarHBondContact O-N 2.95Å; F1330-Y1411 HydrophobicContact CE2-CE2 4.29Å; F1330-Y1411 HydrophobicContact CZ-CE2 4.15Å |
| 1331 | H | 93.5 | Very high | 88.5 | Confident | 23 Ų | 23 | 36.4 Ų | 36.4 | 11% | 0.106 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 128.7 | 166.1 | -178.7 | -126.2 | 0 | 0 | 0 | 108.6 | G1341 L1342 F1373 | H1331-G1341 CarbonylContact O-C 3.58Å; H1331-G1341 VanDerWaalsContact O-CA 3.31Å; H1331-G1341 WeakPolarHBondContact O-CA 3.14Å; H1331-L1342 PolarHBondContact N-O 3.42Å; H1331-L1342 PolarHBondContact O-N 3.14Å; H1331-F1373 HydrophobicContact CB-CD1 4.24Å; H1331-F1373 HydrophobicContact CB-CE1 3.74Å; H1331-F1373 HydrophobicContact CB-CZ 4.3Å; H1331-F1373 AromaticContact CD2-CZ 3.83Å |
| 1332 | L | 93.7 | Very high | 88.7 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 128.4 | 179.1 | -59.4 | -173.6 | 0 | 0 | 0 | 109.9 | F1330 F1339 L1372 L1374 L1383 A1404 | F1330-L1332 HydrophobicContact CB-CD2 4.38Å; L1332-F1339 HydrophobicContact CB-CE2 4.46Å; L1332-F1339 HydrophobicContact CB-CZ 3.9Å; L1332-F1339 HydrophobicContact CD1-CZ 4.33Å; L1332-L1372 HydrophobicContact CB-CB 4.22Å; L1332-L1372 PolarHBondContact N-O 2.95Å; L1332-L1374 HydrophobicContact CD1-CB 3.98Å; L1332-L1374 HydrophobicContact CD1-CD1 4.42Å; L1332-L1374 HydrophobicContact CG-CB 4.26Å; L1332-L1383 HydrophobicContact CD1-CD1 4.25Å; L1332-A1404 HydrophobicContact CD1-CB 3.79Å |
| 1333 | S | 90.3 | Very high | 88.9 | Confident | 12 Ų | 12 | 33.7 Ų | 33.7 | 8% | 0.084 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 155.1 | -177.8 | -169 | 0 | 0 | 0 | 0 | 112.7 | Q1335 F1339 E1340 | S1333-Q1335 WeakPolarHBondContact OG-CB 3.45Å; S1333-Q1335 WeakPolarHBondContact OG-CG 3.09Å; S1333-Q1335 PolarHBondContact OG-N 3.29Å; S1333-Q1335 VanDerWaalsContact OG-N 3.09Å; S1333-F1339 WeakPolarHBondContact O-CA 3.22Å; S1333-E1340 PolarHBondContact N-O 2.96Å; S1333-E1340 PolarHBondContact O-N 3.18Å |
| 1334 | A | 87.5 | Confident | 88.8 | Confident | 17 Ų | 17 | 34.9 Ų | 34.9 | 14% | 0.14 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -99.2 | 10.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 114 | W1048 S1336 G1337 F1339 E1400 | W1048-A1334 HydrophobicContact CH2-CB 4.23Å; W1048-A1334 HydrophobicContact CZ3-CB 3.99Å; A1334-S1336 VanDerWaalsContact C-N 3.34Å; A1334-S1336 PolarHBondContact O-N 3.34Å; A1334-G1337 PolarHBondContact O-N 2.85Å; A1334-G1337 VanDerWaalsContact O-N 3.12Å; A1334-F1339 HydrophobicContact CB-CB 4.33Å; A1334-F1339 HydrophobicContact CB-CD2 4.18Å; A1334-E1400 HydrophobicContact CB-CG 3.77Å; A1334-E1400 PolarHBondContact N-OE2 3.07Å |
| 1335 | Q | 79.6 | Confident | 88.6 | Confident | 84 Ų | 84 | 31.2 Ų | 31.2 | 39% | 0.393 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -49.7 | -176.6 | -81.8 | 163.7 | 20.3 | 0 | 0 | 112.5 | E1017 S1333 G1337 | E1017-Q1335 VanDerWaalsContact OE1-O 3.12Å; S1333-Q1335 WeakPolarHBondContact OG-CB 3.45Å; S1333-Q1335 WeakPolarHBondContact OG-CG 3.09Å; S1333-Q1335 PolarHBondContact OG-N 3.29Å; S1333-Q1335 VanDerWaalsContact OG-N 3.09Å; Q1335-G1337 PolarHBondContact O-N 3.49Å |
| 1336 | S | 76.9 | Confident | 88.3 | Confident | 26 Ų | 26 | 31 Ų | 31 | 18% | 0.182 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 13.2 | 179.8 | 59.2 | 0 | 0 | 0 | 0 | 116.1 | E1017 A1334 S1338 E1340 | E1017-S1336 WeakPolarHBondContact OE1-CA 3.19Å; A1334-S1336 VanDerWaalsContact C-N 3.34Å; A1334-S1336 PolarHBondContact O-N 3.34Å; S1336-S1338 VanDerWaalsContact C-N 3.25Å; S1336-S1338 PolarHBondContact O-N 3.38Å; S1336-S1338 PolarHBondContact OG-O 3.08Å; S1336-E1340 VanDerWaalsContact CB-OE1 3.26Å; S1336-E1340 WeakPolarHBondContact CB-OE1 3.28Å; S1336-E1340 PolarHBondContact OG-OE1 2.87Å |
| 1337 | G | 75.2 | Confident | 88 | Confident | 35 Ų | 35 | 30 Ų | 30 | 36% | 0.361 | 18% | 0.175 | S | C | . | . | S | Bend | trans | 83.6 | -10.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q1047 A1334 Q1335 | Q1047-G1337 VanDerWaalsContact CG-O 3.25Å; Q1047-G1337 WeakPolarHBondContact CG-O 3.43Å; Q1047-G1337 PolarHBondContact NE2-O 3.4Å; A1334-G1337 PolarHBondContact O-N 2.85Å; A1334-G1337 VanDerWaalsContact O-N 3.12Å; Q1335-G1337 PolarHBondContact O-N 3.49Å |
| 1338 | S | 82.5 | Confident | 87.7 | Confident | 53 Ų | 53 | 30.7 Ų | 30.7 | 37% | 0.371 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -135.4 | 144.2 | 171.7 | 55.4 | 0 | 0 | 0 | 0 | 110.8 | Q1047 S1336 E1340 | Q1047-S1338 WeakPolarHBondContact O-CA 3.29Å; S1336-S1338 VanDerWaalsContact C-N 3.25Å; S1336-S1338 PolarHBondContact O-N 3.38Å; S1336-S1338 PolarHBondContact OG-O 3.08Å; S1338-E1340 PolarHBondContact O-N 2.85Å; S1338-E1340 VanDerWaalsContact O-N 3.16Å |
| 1339 | F | 89.2 | Confident | 87.4 | Confident | 3 Ų | 3 | 33.7 Ų | 33.7 | 1% | 0.013 | 19% | 0.191 | C | C | . | . | trans | -72.9 | 108.1 | -179.5 | -173.8 | -90.9 | 0 | 0 | 0 | 111.7 | Q1047 W1048 C1050 L1332 S1333 A1334 E1400 C1403 A1404 T1407 | Q1047-F1339 PolarHBondContact O-N 3Å; W1048-F1339 HydrophobicContact CE3-CB 4.44Å; C1050-F1339 WeakPolarHBondContact CA-O 3.41Å; C1050-F1339 HydrophobicContact CB-CD1 3.98Å; C1050-F1339 HydrophobicContact CB-CE1 4.26Å; C1050-F1339 WeakPolarHBondContact CB-O 3.18Å; C1050-F1339 PolarHBondContact N-O 3.05Å; L1332-F1339 HydrophobicContact CB-CE2 4.46Å; L1332-F1339 HydrophobicContact CB-CZ 3.9Å; L1332-F1339 HydrophobicContact CD1-CZ 4.33Å; S1333-F1339 WeakPolarHBondContact O-CA 3.22Å; A1334-F1339 HydrophobicContact CB-CB 4.33Å; A1334-F1339 HydrophobicContact CB-CD2 4.18Å; F1339-E1400 HydrophobicContact CD2-CG 4.41Å; F1339-E1400 HydrophobicContact CE2-CB 4.37Å; F1339-C1403 HydrophobicContact CD1-CB 3.75Å; F1339-C1403 HydrophobicContact CD2-CB 3.85Å; F1339-C1403 HydrophobicContact CE1-CB 3.89Å; F1339-C1403 HydrophobicContact CE2-CB 3.97Å; F1339-C1403 HydrophobicContact CG-CB 3.74Å; F1339-C1403 HydrophobicContact CZ-CB 3.99Å; F1339-A1404 HydrophobicContact CE2-CB 4.44Å; F1339-A1404 HydrophobicContact CZ-CB 3.8Å; F1339-A1404 VanDerWaalsContact CZ-N 3.35Å; F1339-T1407 WeakPolarHBondContact CE1-OG1 3.36Å | ||
| 1340 | E | 89.1 | Confident | 87.1 | Confident | 83 Ų | 83 | 34.1 Ų | 34.1 | 39% | 0.388 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 179.4 | -176.7 | 73.4 | -179.4 | 150.1 | 0 | 0 | 113.2 | S1333 S1336 S1338 | S1333-E1340 PolarHBondContact N-O 2.96Å; S1333-E1340 PolarHBondContact O-N 3.18Å; S1336-E1340 VanDerWaalsContact CB-OE1 3.26Å; S1336-E1340 WeakPolarHBondContact CB-OE1 3.28Å; S1336-E1340 PolarHBondContact OG-OE1 2.87Å; S1338-E1340 PolarHBondContact O-N 2.85Å; S1338-E1340 VanDerWaalsContact O-N 3.16Å |
| 1341 | G | 89.3 | Confident | 86.7 | Confident | 20 Ų | 20 | 41.8 Ų | 41.8 | 21% | 0.206 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 119.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1055 H1331 | L1055-G1341 WeakPolarHBondContact CD1-O 3.4Å; H1331-G1341 CarbonylContact O-C 3.58Å; H1331-G1341 VanDerWaalsContact O-CA 3.31Å; H1331-G1341 WeakPolarHBondContact O-CA 3.14Å |
| 1342 | L | 89 | Confident | 86.3 | Confident | 98 Ų | 98 | 44.7 Ų | 44.7 | 51% | 0.513 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 119.9 | -178.7 | -179.7 | 64.6 | 0 | 0 | 0 | 110.4 | F1330 H1331 L1344 | F1330-L1342 CarbonylContact C-O 3.56Å; F1330-L1342 WeakPolarHBondContact CA-O 3.37Å; H1331-L1342 PolarHBondContact N-O 3.42Å; H1331-L1342 PolarHBondContact O-N 3.14Å; L1342-L1344 PolarHBondContact O-N 2.93Å |
| 1343 | E | 90.5 | Very high | 86.1 | Confident | 34 Ų | 34 | 46.2 Ų | 46.2 | 16% | 0.159 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 122.3 | 175.2 | -172.1 | 171.3 | -174.3 | 0 | 0 | 111 | R1328 F1330 V1345 | R1328-E1343 IonicContact CZ-OE1 3.55Å; R1328-E1343 IonicContact CZ-OE2 3.67Å; R1328-E1343 IonicContact NE-OE1 3.86Å; R1328-E1343 PolarHBondContact NE-OE1 3.35Å; R1328-E1343 IonicContact NE-OE2 3.92Å; R1328-E1343 VanDerWaalsContact NH2-CD 3.31Å; R1328-E1343 IonicContact NH2-OE1 2.72Å; R1328-E1343 PolarHBondContact NH2-OE1 3.26Å; R1328-E1343 IonicContact NH2-OE2 2.67Å; R1328-E1343 PolarHBondContact NH2-OE2 3.15Å; F1330-E1343 HydrophobicContact CD1-CB 3.57Å; F1330-E1343 HydrophobicContact CD1-CG 3.96Å; F1330-E1343 HydrophobicContact CE1-CB 3.65Å; F1330-E1343 HydrophobicContact CE1-CG 3.75Å; F1330-E1343 HydrophobicContact CZ-CG 4.43Å; E1343-V1345 HydrophobicContact CG-CG2 4.19Å |
| 1344 | L | 88.2 | Confident | 86.2 | Confident | 39 Ų | 39 | 47.3 Ų | 47.3 | 20% | 0.204 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 131.2 | 169.6 | -65.6 | -177.1 | 0 | 0 | 0 | 109.8 | L1329 L1342 F1359 F1373 | L1329-L1344 HydrophobicContact CD2-CD1 3.91Å; L1329-L1344 HydrophobicContact CG-CD1 4.24Å; L1329-L1344 PolarHBondContact O-N 3.31Å; L1342-L1344 PolarHBondContact O-N 2.93Å; L1344-F1359 HydrophobicContact CB-CE1 4.28Å; L1344-F1359 VanDerWaalsContact O-CE1 3.3Å; L1344-F1359 WeakPolarHBondContact O-CE1 3.19Å; L1344-F1373 HydrophobicContact CD1-CE1 3.83Å |
| 1345 | V | 86.5 | Confident | 86.4 | Confident | 31 Ų | 31 | 47.4 Ų | 47.4 | 19% | 0.188 | 28% | 0.284 | C | S | . | . | trans | -127.2 | 133.3 | -176.3 | -176.7 | 0 | 0 | 0 | 0 | 109.1 | G1063 E1343 R1349 | G1063-V1345 WeakPolarHBondContact O-CB 3.32Å; G1063-V1345 WeakPolarHBondContact O-CG1 3.25Å; E1343-V1345 HydrophobicContact CG-CG2 4.19Å; V1345-R1349 HydrophobicContact CG1-CB 4.39Å | ||
| 1346 | S | 85.1 | Confident | 87.1 | Confident | 11 Ų | 11 | 44.1 Ų | 44.1 | 8% | 0.077 | 27% | 0.271 | C | S | . | . | trans | -67.9 | 130.6 | 177.4 | 177.7 | 0 | 0 | 0 | 0 | 111.3 | C1348 R1349 | S1346-C1348 PolarHBondContact O-N 3.33Å; S1346-C1348 VanDerWaalsContact O-N 3.14Å; S1346-C1348 PolarHBondContact OG-SG 3.13Å; S1346-R1349 WeakPolarHBondContact O-CB 3.31Å; S1346-R1349 PolarHBondContact O-N 2.93Å; S1346-R1349 VanDerWaalsContact O-N 3.08Å | ||
| 1347 | P | 86.1 | Confident | 87.9 | Confident | 16 Ų | 16 | 43.5 Ų | 43.5 | 10% | 0.104 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -25.2 | -178.3 | -29.3 | 37.7 | 0 | 0 | 0 | 115.5 | E1180 | E1180-P1347 HydrophobicContact CB-CG 4.39Š|
| 1348 | C | 88.1 | Confident | 88.7 | Confident | 16 Ų | 16 | 42.3 Ų | 42.3 | 11% | 0.108 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 1.1 | 179.3 | 68.7 | 0 | 0 | 0 | 0 | 114.7 | R1076 L1186 S1346 A1350 | R1076-C1348 PolarHBondContact NH2-O 3.43Å; L1186-C1348 HydrophobicContact CD1-CB 3.45Å; L1186-C1348 VanDerWaalsContact CD1-CB 3.45Å; S1346-C1348 PolarHBondContact O-N 3.33Å; S1346-C1348 VanDerWaalsContact O-N 3.14Å; S1346-C1348 PolarHBondContact OG-SG 3.13Å; C1348-A1350 PolarHBondContact O-N 2.89Å |
| 1349 | R | 88 | Confident | 89.1 | Confident | 104 Ų | 104 | 40.3 Ų | 40.3 | 39% | 0.392 | 24% | 0.236 | S | C | . | . | P | Polyproline II helix | trans | -53.1 | 129.2 | -173.4 | -179.7 | -177.9 | -179.3 | -173.5 | 6.2 | 113.1 | R1076 D1215 V1345 S1346 | R1076-R1349 PolarHBondContact NH2-O 2.93Å; D1215-R1349 WeakPolarHBondContact OD2-CA 3.4Å; V1345-R1349 HydrophobicContact CG1-CB 4.39Å; S1346-R1349 WeakPolarHBondContact O-CB 3.31Å; S1346-R1349 PolarHBondContact O-N 2.93Å; S1346-R1349 VanDerWaalsContact O-N 3.08Å |
| 1350 | A | 87.7 | Confident | 89.2 | Confident | 10 Ų | 10 | 41 Ų | 41 | 8% | 0.083 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -99.8 | 132 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | D1215 V1216 C1348 G1352 V1353 | D1215-A1350 HydrophobicContact CB-CB 3.74Å; D1215-A1350 PolarHBondContact OD2-N 2.99Å; V1216-A1350 HydrophobicContact CG2-CB 4.07Å; C1348-A1350 PolarHBondContact O-N 2.89Å; A1350-G1352 PolarHBondContact O-N 2.94Å; A1350-V1353 HydrophobicContact CB-CB 4Å; A1350-V1353 HydrophobicContact CB-CG2 3.56Å; A1350-V1353 PolarHBondContact O-N 3.02Å; A1350-V1353 VanDerWaalsContact O-N 3.11Å |
| 1351 | N | 84 | Confident | 89.4 | Confident | 160 Ų | 160 | 37.7 Ų | 37.7 | 86% | 0.856 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 124 | -179.2 | -79.5 | -22.5 | 0 | 0 | 0 | 111.5 | V1353 | N1351-V1353 VanDerWaalsContact C-N 3.31Å; N1351-V1353 PolarHBondContact O-N 3.24Å |
| 1352 | G | 85.4 | Confident | 89.3 | Confident | 85 Ų | 85 | 39.1 Ų | 39.1 | 88% | 0.876 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | -0.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | A1350 | A1350-G1352 PolarHBondContact O-N 2.94Š|
| 1353 | V | 89.9 | Confident | 89.3 | Confident | 33 Ų | 33 | 36.7 Ų | 36.7 | 20% | 0.2 | 21% | 0.213 | C | C | . | . | trans | -86.5 | 149.3 | 173.8 | -175.1 | 0 | 0 | 0 | 0 | 110.5 | D1215 K1259 T1326 A1350 N1351 | D1215-V1353 HydrophobicContact CB-CB 4.22Å; D1215-V1353 HydrophobicContact CB-CG1 3.83Å; K1259-V1353 HydrophobicContact CB-CG1 4.18Å; K1259-V1353 HydrophobicContact CG-CG1 4.46Å; T1326-V1353 PolarHBondContact OG1-O 3Å; A1350-V1353 HydrophobicContact CB-CB 4Å; A1350-V1353 HydrophobicContact CB-CG2 3.56Å; A1350-V1353 PolarHBondContact O-N 3.02Å; A1350-V1353 VanDerWaalsContact O-N 3.11Å; N1351-V1353 VanDerWaalsContact C-N 3.31Å; N1351-V1353 PolarHBondContact O-N 3.24Å | ||
| 1354 | I | 92.3 | Very high | 89.3 | Confident | 36 Ų | 36 | 35.1 Ų | 35.1 | 19% | 0.185 | 21% | 0.205 | C | C | . | . | trans | -99.3 | 110.1 | 175.9 | -69.4 | 157.1 | 0 | 0 | 0 | 108.4 | H1257 N1324 | H1257-I1354 HydrophobicContact CB-CG2 4.41Å; N1324-I1354 HydrophobicContact CB-CD1 3.9Å | ||
| 1355 | T | 92.5 | Very high | 89.2 | Confident | 19 Ų | 19 | 36.9 Ų | 36.9 | 12% | 0.117 | 21% | 0.21 | C | C | . | . | trans | -100.1 | 115.3 | 179.3 | -36.1 | 0 | 0 | 0 | 0 | 108.1 | D1215 T1326 P1327 P1358 | D1215-T1355 WeakPolarHBondContact OD1-CB 3.27Å; D1215-T1355 WeakPolarHBondContact OD1-CG2 3.39Å; D1215-T1355 PolarHBondContact OD1-OG1 2.81Å; D1215-T1355 PolarHBondContact OD2-OG1 2.83Å; T1326-T1355 PolarHBondContact OG1-N 2.83Å; P1327-T1355 WeakPolarHBondContact CD-O 3.43Å; T1355-P1358 HydrophobicContact CG2-CB 4.03Å | ||
| 1356 | A | 93.7 | Very high | 89 | Confident | 14 Ų | 14 | 40.1 Ų | 40.1 | 12% | 0.116 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -73.8 | -33.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1235 | R1235-A1356 HydrophobicContact CB-CB 3.82Å; R1235-A1356 VanDerWaalsContact O-CB 3.28Å; R1235-A1356 WeakPolarHBondContact O-CB 3.23Å |
| 1357 | M | 94.1 | Very high | 89 | Confident | 14 Ų | 14 | 40.7 Ų | 40.7 | 7% | 0.069 | 23% | 0.233 | C | C | . | . | trans | -136 | 68.6 | -172 | -58.6 | 171 | -60 | 0 | 0 | 111.4 | C1211 R1213 R1233 I1438 P1440 | C1211-M1357 VanDerWaalsContact SG-CE 3.56Å; R1213-M1357 PolarHBondContact NH2-O 3.28Å; R1213-M1357 VanDerWaalsContact NH2-O 3.13Å; R1233-M1357 HydrophobicContact CB-SD 3.9Å; R1233-M1357 HydrophobicContact CG-SD 3.64Å; M1357-I1438 VanDerWaalsContact CA-O 3.23Å; M1357-I1438 WeakPolarHBondContact CA-O 3.39Å; M1357-I1438 WeakPolarHBondContact CB-O 3.27Å; M1357-P1440 HydrophobicContact CB-CG 4.01Å | ||
| 1358 | P | 91.6 | Very high | 88.8 | Confident | 9 Ų | 9 | 43.7 Ų | 43.7 | 6% | 0.058 | 25% | 0.252 | C | S | . | . | trans | -74.1 | -24.1 | -171.6 | 28.5 | -34.5 | 0 | 0 | 0 | 114.6 | R1213 T1326 T1355 | R1213-P1358 PolarHBondContact NH2-O 2.94Å; R1213-P1358 VanDerWaalsContact NH2-O 3.12Å; T1326-P1358 HydrophobicContact CG2-CB 4.48Å; T1326-P1358 HydrophobicContact CG2-CG 4.16Å; T1355-P1358 HydrophobicContact CG2-CB 4.03Å | ||
| 1359 | F | 91 | Very high | 88.5 | Confident | 12 Ų | 12 | 47.1 Ų | 47.1 | 5% | 0.053 | 27% | 0.266 | C | S | . | . | trans | -111.6 | 153.6 | -171.6 | -47.1 | -57.1 | 0 | 0 | 0 | 112.4 | L1329 L1344 I1438 F1439 P1440 | L1329-F1359 HydrophobicContact CB-CD2 3.73Å; L1329-F1359 HydrophobicContact CB-CE1 4.27Å; L1329-F1359 HydrophobicContact CB-CE2 3.31Å; L1329-F1359 HydrophobicContact CB-CG 4.38Å; L1329-F1359 HydrophobicContact CB-CZ 3.63Å; L1329-F1359 HydrophobicContact CD2-CB 4.43Å; L1329-F1359 HydrophobicContact CD2-CD1 4.5Å; L1329-F1359 HydrophobicContact CD2-CD2 3.97Å; L1329-F1359 HydrophobicContact CD2-CE2 4.41Å; L1329-F1359 HydrophobicContact CD2-CG 4.03Å; L1329-F1359 HydrophobicContact CG-CE2 4.49Å; L1344-F1359 HydrophobicContact CB-CE1 4.28Å; L1344-F1359 VanDerWaalsContact O-CE1 3.3Å; L1344-F1359 WeakPolarHBondContact O-CE1 3.19Å; F1359-I1438 HydrophobicContact CD2-CD1 4.16Å; F1359-F1439 HydrophobicContact CB-CD1 4.2Å; F1359-F1439 HydrophobicContact CB-CE1 3.94Å; F1359-F1439 WeakPolarHBondContact O-CD1 3.42Å; F1359-P1440 WeakPolarHBondContact O-CD 3.41Å | ||
| 1360 | L | 91.2 | Very high | 88.5 | Confident | 17 Ų | 17 | 43.7 Ų | 43.7 | 9% | 0.089 | 26% | 0.258 | C | S | . | . | trans | -96.2 | 155.6 | 162.5 | -68 | -171.6 | 0 | 0 | 0 | 110.5 | L1223 D1362 K1363 F1439 P1440 | L1223-L1360 HydrophobicContact CD2-CD2 4.21Å; L1360-D1362 VanDerWaalsContact C-N 3.27Å; L1360-D1362 PolarHBondContact O-N 2.69Å; L1360-K1363 WeakPolarHBondContact O-CB 3.41Å; L1360-K1363 PolarHBondContact O-N 3.14Å; L1360-F1439 VanDerWaalsContact C-CD1 3.48Å; L1360-P1440 HydrophobicContact CD2-CG 3.96Å | ||
| 1361 | Q | 92.5 | Very high | 88.6 | Confident | 14 Ų | 14 | 43.2 Ų | 43.2 | 7% | 0.065 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -57.6 | -40.9 | 177.6 | 173.6 | 175 | -6.7 | 0 | 0 | 111.9 | K1363 L1364 Y1365 W1442 E1443 | Q1361-K1363 PolarHBondContact O-N 3.36Å; Q1361-L1364 WeakPolarHBondContact O-CB 3.31Å; Q1361-L1364 PolarHBondContact O-N 2.82Å; Q1361-Y1365 HydrophobicContact CG-CE2 3.97Å; Q1361-W1442 HydrophobicContact CB-CE3 3.96Å; Q1361-W1442 HydrophobicContact CB-CZ3 3.96Å; Q1361-W1442 HydrophobicContact CG-CD2 4.38Å; Q1361-W1442 HydrophobicContact CG-CE3 3.87Å; Q1361-W1442 HydrophobicContact CG-CH2 3.99Å; Q1361-W1442 HydrophobicContact CG-CZ2 4.47Å; Q1361-W1442 HydrophobicContact CG-CZ3 3.66Å; Q1361-W1442 VanDerWaalsContact OE1-CA 3.31Å; Q1361-E1443 PolarHBondContact NE2-O 3.15Å |
| 1362 | D | 88 | Confident | 89.1 | Confident | 50 Ų | 50 | 35.7 Ų | 35.7 | 27% | 0.267 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -52.1 | -28.2 | -178.5 | -57.1 | 2.2 | 0 | 0 | 0 | 112.7 | R1153 L1360 L1364 Y1365 T1366 | R1153-D1362 IonicContact CZ-OD1 2.76Å; R1153-D1362 IonicContact CZ-OD2 3.43Å; R1153-D1362 IonicContact NE-OD1 3.78Å; R1153-D1362 IonicContact NE-OD2 2.7Å; R1153-D1362 PolarHBondContact NE-OD2 2.91Å; R1153-D1362 IonicContact NH2-OD1 3.35Å; R1153-D1362 PolarHBondContact NH2-OD1 2.8Å; R1153-D1362 IonicContact NH2-OD2 3.65Å; R1153-D1362 PolarHBondContact NH2-OD2 2.94Å; L1360-D1362 VanDerWaalsContact C-N 3.27Å; L1360-D1362 PolarHBondContact O-N 2.69Å; D1362-L1364 PolarHBondContact O-N 3.29Å; D1362-Y1365 CarbonylContact O-C 3.55Å; D1362-Y1365 WeakPolarHBondContact O-CA 3.4Å; D1362-Y1365 PolarHBondContact O-N 2.67Å; D1362-T1366 WeakPolarHBondContact O-CG2 3.35Å; D1362-T1366 PolarHBondContact O-N 3.33Å |
| 1363 | K | 88.3 | Confident | 89.6 | Confident | 47 Ų | 47 | 31.7 Ų | 31.7 | 20% | 0.204 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -58.6 | -31 | 175.9 | -76.1 | -61.6 | -166.7 | 179.9 | 0 | 114.4 | E1180 L1360 Q1361 Y1365 T1366 | E1180-K1363 WeakPolarHBondContact OE1-CE 3.38Å; E1180-K1363 IonicContact OE1-NZ 3.31Å; E1180-K1363 PolarHBondContact OE1-NZ 3.16Å; E1180-K1363 WeakPolarHBondContact OE2-CE 3.49Å; E1180-K1363 IonicContact OE2-NZ 3.93Å; E1180-K1363 PolarHBondContact OE2-NZ 2.73Å; L1360-K1363 WeakPolarHBondContact O-CB 3.41Å; L1360-K1363 PolarHBondContact O-N 3.14Å; Q1361-K1363 PolarHBondContact O-N 3.36Å; K1363-Y1365 PolarHBondContact O-N 2.97Å; K1363-T1366 WeakPolarHBondContact CA-OG1 3.41Å; K1363-T1366 PolarHBondContact O-OG1 3.14Å |
| 1364 | L | 90.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -66.2 | -25.1 | 175.7 | -58.9 | 175.1 | 0 | 0 | 0 | 112.1 | L1329 Q1361 D1362 Q1369 F1373 W1384 F1435 F1439 W1442 | L1329-L1364 HydrophobicContact CD1-CD2 4.42Å; L1329-L1364 HydrophobicContact CD2-CD2 4.33Å; Q1361-L1364 WeakPolarHBondContact O-CB 3.31Å; Q1361-L1364 PolarHBondContact O-N 2.82Å; D1362-L1364 PolarHBondContact O-N 3.29Å; L1364-Q1369 PolarHBondContact O-NE2 3.06Å; L1364-F1373 HydrophobicContact CB-CE2 4.34Å; L1364-F1373 HydrophobicContact CD2-CB 4.2Å; L1364-F1373 HydrophobicContact CD2-CD1 4.14Å; L1364-F1373 HydrophobicContact CD2-CD2 3.66Å; L1364-F1373 HydrophobicContact CD2-CE1 4.42Å; L1364-F1373 HydrophobicContact CD2-CE2 3.97Å; L1364-F1373 HydrophobicContact CD2-CG 3.74Å; L1364-F1373 HydrophobicContact CD2-CZ 4.33Å; L1364-F1373 WeakPolarHBondContact O-CE2 3.5Å; L1364-W1384 HydrophobicContact CB-CH2 4.12Å; L1364-W1384 HydrophobicContact CB-CZ2 4.47Å; L1364-W1384 HydrophobicContact CB-CZ3 4.31Å; L1364-W1384 HydrophobicContact CD1-CZ2 4.31Å; L1364-F1435 HydrophobicContact CD1-CE1 4.34Å; L1364-F1435 HydrophobicContact CD1-CZ 4.37Å; L1364-F1439 HydrophobicContact CD1-CZ 4.18Å; L1364-W1442 HydrophobicContact CD1-CH2 3.79Å; L1364-W1442 HydrophobicContact CD1-CZ3 4.09Å |
| 1365 | Y | 87.8 | Confident | 90.1 | Very high | 77 Ų | 77 | 28.4 Ų | 28.4 | 30% | 0.302 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -18.1 | -175.6 | -56.7 | -79.1 | 0 | 0 | 0 | 113.3 | Q1361 D1362 K1363 V1367 W1384 | Q1361-Y1365 HydrophobicContact CG-CE2 3.97Å; D1362-Y1365 CarbonylContact O-C 3.55Å; D1362-Y1365 WeakPolarHBondContact O-CA 3.4Å; D1362-Y1365 PolarHBondContact O-N 2.67Å; K1363-Y1365 PolarHBondContact O-N 2.97Å; Y1365-V1367 PolarHBondContact O-N 2.89Å; Y1365-W1384 HydrophobicContact CE1-CH2 4.34Å |
| 1366 | T | 82 | Confident | 90.2 | Very high | 98 Ų | 98 | 28 Ų | 28 | 60% | 0.601 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -66.8 | -17.6 | 175.4 | 53.1 | 0 | 0 | 0 | 0 | 115.1 | D1362 K1363 | D1362-T1366 WeakPolarHBondContact O-CG2 3.35Å; D1362-T1366 PolarHBondContact O-N 3.33Å; K1363-T1366 WeakPolarHBondContact CA-OG1 3.41Å; K1363-T1366 PolarHBondContact O-OG1 3.14Å |
| 1367 | V | 83.5 | Confident | 90.1 | Very high | 24 Ų | 24 | 27.7 Ų | 27.7 | 15% | 0.145 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -88.5 | 157.8 | 176.8 | -64 | 0 | 0 | 0 | 0 | 111.6 | Y1365 Q1369 A1371 F1373 | Y1365-V1367 PolarHBondContact O-N 2.89Å; V1367-Q1369 PolarHBondContact O-N 3.14Å; V1367-Q1369 PolarHBondContact O-NE2 3.05Å; V1367-A1371 HydrophobicContact CG2-CB 3.51Å; V1367-F1373 HydrophobicContact CB-CZ 4.41Å; V1367-F1373 HydrophobicContact CG1-CZ 3.97Å; V1367-F1373 HydrophobicContact CG2-CE2 3.53Å; V1367-F1373 HydrophobicContact CG2-CZ 3.52Å |
| 1368 | P | 82.1 | Confident | 89.8 | Confident | 78 Ų | 78 | 32.9 Ų | 32.9 | 51% | 0.506 | 17% | 0.167 | S | C | . | . | P | Polyproline II helix | trans | -56.3 | 131.7 | 174.8 | -23.7 | 34 | 0 | 0 | 0 | 111.7 | ||
| 1369 | Q | 83.4 | Confident | 89.4 | Confident | 88 Ų | 88 | 36.8 Ų | 36.8 | 41% | 0.411 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -95.9 | 141.6 | -178.7 | -58.2 | -60.1 | -42.8 | 0 | 0 | 111 | L1364 V1367 S1386 | L1364-Q1369 PolarHBondContact O-NE2 3.06Å; V1367-Q1369 PolarHBondContact O-N 3.14Å; V1367-Q1369 PolarHBondContact O-NE2 3.05Å; Q1369-S1386 VanDerWaalsContact OE1-CB 3.24Å; Q1369-S1386 PolarHBondContact OE1-OG 3.38Å |
| 1370 | P | 86.3 | Confident | 89.3 | Confident | 32 Ų | 32 | 37.2 Ų | 37.2 | 21% | 0.208 | 19% | 0.189 | C | C | . | . | S | Bend | cis | -80.5 | 151.8 | 4.7 | 35.3 | -37.5 | 0 | 0 | 0 | 113.4 | S1386 T1389 W1397 | P1370-S1386 WeakPolarHBondContact CA-OG 3.16Å; P1370-S1386 WeakPolarHBondContact CB-OG 3.38Å; P1370-T1389 HydrophobicContact CG-CG2 3.62Å; P1370-W1397 HydrophobicContact CB-CH2 3.58Å; P1370-W1397 HydrophobicContact CB-CZ2 3.72Å; P1370-W1397 HydrophobicContact CB-CZ3 4.04Å; P1370-W1397 HydrophobicContact CG-CD2 4.07Å; P1370-W1397 HydrophobicContact CG-CE3 3.89Å; P1370-W1397 HydrophobicContact CG-CH2 3.82Å; P1370-W1397 HydrophobicContact CG-CZ2 4.02Å; P1370-W1397 HydrophobicContact CG-CZ3 3.77Å |
| 1371 | A | 90.2 | Very high | 89.5 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | trans | -121.5 | 151.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113 | V1367 F1373 S1386 | V1367-A1371 HydrophobicContact CG2-CB 3.51Å; A1371-F1373 HydrophobicContact CB-CD2 4.21Å; A1371-F1373 HydrophobicContact CB-CE2 3.83Å; A1371-S1386 PolarHBondContact N-OG 3.26Å; A1371-S1386 PolarHBondContact O-N 2.77Å | ||
| 1372 | L | 94.1 | Very high | 89.7 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 127.3 | 173.6 | -71.8 | 164.3 | 0 | 0 | 0 | 109.9 | L1332 L1383 Q1385 W1397 E1400 K1401 A1404 | L1332-L1372 HydrophobicContact CB-CB 4.22Å; L1332-L1372 PolarHBondContact N-O 2.95Å; L1372-L1383 HydrophobicContact CD2-CD1 4.33Å; L1372-Q1385 HydrophobicContact CD2-CB 3.66Å; L1372-W1397 HydrophobicContact CD1-CE3 4.5Å; L1372-W1397 HydrophobicContact CD1-CH2 4.02Å; L1372-W1397 HydrophobicContact CD1-CZ3 3.86Å; L1372-W1397 HydrophobicContact CD2-CH2 4.06Å; L1372-W1397 HydrophobicContact CD2-CZ2 4.39Å; L1372-W1397 HydrophobicContact CG-CH2 3.59Å; L1372-W1397 HydrophobicContact CG-CZ2 4.37Å; L1372-W1397 HydrophobicContact CG-CZ3 3.89Å; L1372-E1400 HydrophobicContact CD1-CB 4.18Å; L1372-K1401 HydrophobicContact CD1-CG 4.19Å; L1372-K1401 HydrophobicContact CD2-CG 4.13Å; L1372-A1404 HydrophobicContact CD1-CB 3.97Å |
| 1373 | F | 96.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 126.1 | -179.1 | -79.8 | -81 | 0 | 0 | 0 | 112.1 | L1329 F1330 H1331 L1344 L1364 V1367 A1371 L1383 W1384 | L1329-F1373 HydrophobicContact CD1-CB 3.98Å; L1329-F1373 HydrophobicContact CD1-CD1 3.76Å; L1329-F1373 HydrophobicContact CD1-CG 4.21Å; L1329-F1373 HydrophobicContact CD2-CD1 4.38Å; L1329-F1373 HydrophobicContact CG-CD1 3.96Å; L1329-F1373 HydrophobicContact CG-CE1 4.47Å; F1330-F1373 CarbonylContact O-C 3.44Å; F1330-F1373 WeakPolarHBondContact O-CA 3.41Å; F1330-F1373 WeakPolarHBondContact O-CD1 3.41Å; H1331-F1373 HydrophobicContact CB-CD1 4.24Å; H1331-F1373 HydrophobicContact CB-CE1 3.74Å; H1331-F1373 HydrophobicContact CB-CZ 4.3Å; H1331-F1373 AromaticContact CD2-CZ 3.83Å; L1344-F1373 HydrophobicContact CD1-CE1 3.83Å; L1364-F1373 HydrophobicContact CB-CE2 4.34Å; L1364-F1373 HydrophobicContact CD2-CB 4.2Å; L1364-F1373 HydrophobicContact CD2-CD1 4.14Å; L1364-F1373 HydrophobicContact CD2-CD2 3.66Å; L1364-F1373 HydrophobicContact CD2-CE1 4.42Å; L1364-F1373 HydrophobicContact CD2-CE2 3.97Å; L1364-F1373 HydrophobicContact CD2-CG 3.74Å; L1364-F1373 HydrophobicContact CD2-CZ 4.33Å; L1364-F1373 WeakPolarHBondContact O-CE2 3.5Å; V1367-F1373 HydrophobicContact CB-CZ 4.41Å; V1367-F1373 HydrophobicContact CG1-CZ 3.97Å; V1367-F1373 HydrophobicContact CG2-CE2 3.53Å; V1367-F1373 HydrophobicContact CG2-CZ 3.52Å; A1371-F1373 HydrophobicContact CB-CD2 4.21Å; A1371-F1373 HydrophobicContact CB-CE2 3.83Å; F1373-L1383 CarbonylContact O-C 3.56Å; F1373-L1383 WeakPolarHBondContact O-CA 3.43Å; F1373-W1384 HydrophobicContact CB-CB 4.38Å; F1373-W1384 HydrophobicContact CB-CE3 4.4Å; F1373-W1384 AromaticContact CD2-CE3 3.82Å; F1373-W1384 HydrophobicContact CD2-CE3 3.82Å; F1373-W1384 AromaticContact CD2-CZ3 3.96Å; F1373-W1384 HydrophobicContact CD2-CZ3 3.96Å; F1373-W1384 HydrophobicContact CE2-CZ3 4.46Å; F1373-W1384 PolarHBondContact N-O 3.1Å; F1373-W1384 PolarHBondContact O-N 2.81Å |
| 1374 | L | 96.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 122.1 | 168.1 | -171 | 159 | 0 | 0 | 0 | 109 | L1329 F1330 L1332 V1381 Y1382 A1408 Y1411 | L1329-L1374 CarbonylContact C-O 3.55Å; L1329-L1374 WeakPolarHBondContact CA-O 3.27Å; F1330-L1374 HydrophobicContact CB-CB 4.39Å; F1330-L1374 HydrophobicContact CD2-CB 4.36Å; F1330-L1374 HydrophobicContact CD2-CD2 3.65Å; F1330-L1374 WeakPolarHBondContact CD2-O 3.19Å; F1330-L1374 HydrophobicContact CE2-CD2 3.93Å; F1330-L1374 PolarHBondContact N-O 3.45Å; F1330-L1374 PolarHBondContact O-N 2.95Å; L1332-L1374 HydrophobicContact CD1-CB 3.98Å; L1332-L1374 HydrophobicContact CD1-CD1 4.42Å; L1332-L1374 HydrophobicContact CG-CB 4.26Å; L1374-V1381 HydrophobicContact CD2-CG1 3.81Å; L1374-V1381 HydrophobicContact CG-CG1 3.95Å; L1374-Y1382 CarbonylContact C-O 3.56Å; L1374-Y1382 WeakPolarHBondContact CA-O 3.42Å; L1374-A1408 HydrophobicContact CD1-CB 3.91Å; L1374-Y1411 HydrophobicContact CD1-CG 4.44Å; L1374-Y1411 HydrophobicContact CD2-CD1 4.2Å; L1374-Y1411 HydrophobicContact CD2-CE1 4.27Å |
| 1375 | L | 96 | Very high | 90.5 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 116.5 | 175.1 | 171.9 | 68.2 | 0 | 0 | 0 | 110.1 | P1327 R1328 L1329 V1381 Y1382 F1435 I1438 | P1327-L1375 HydrophobicContact CB-CD1 4.24Å; R1328-L1375 CarbonylContact O-C 3.58Å; R1328-L1375 WeakPolarHBondContact O-CA 3.49Å; L1329-L1375 HydrophobicContact CB-CD1 4.41Å; L1329-L1375 HydrophobicContact CD1-CB 4.09Å; L1329-L1375 HydrophobicContact CD1-CD1 4.39Å; L1375-V1381 CarbonylContact O-C 3.07Å; L1375-V1381 WeakPolarHBondContact O-CA 3.33Å; L1375-Y1382 HydrophobicContact CD2-CD2 4.21Å; L1375-Y1382 PolarHBondContact N-O 2.85Å; L1375-Y1382 PolarHBondContact O-N 3.21Å; L1375-F1435 HydrophobicContact CB-CE2 4.36Å; L1375-F1435 HydrophobicContact CD2-CD2 3.54Å; L1375-F1435 HydrophobicContact CD2-CE2 3.61Å; L1375-F1435 HydrophobicContact CD2-CG 4.23Å; L1375-F1435 HydrophobicContact CD2-CZ 4.35Å; L1375-I1438 HydrophobicContact CD1-CD1 3.69Å; L1375-I1438 HydrophobicContact CD1-CG1 4.46Å; L1375-I1438 HydrophobicContact CD2-CD1 3.9Å; L1375-I1438 HydrophobicContact CD2-CG1 3.93Å; L1375-I1438 HydrophobicContact CG-CD1 4.47Å |
| 1376 | D | 94.9 | Very high | 90.4 | Very high | 9 Ų | 9 | 28.7 Ų | 28.7 | 5% | 0.048 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 98.4 | 172.9 | -175.9 | 12.6 | 0 | 0 | 0 | 110.5 | P1327 R1328 Y1378 Y1411 R1415 | P1327-D1376 WeakPolarHBondContact CA-O 2.91Å; R1328-D1376 HydrophobicContact CB-CB 4.39Å; R1328-D1376 PolarHBondContact N-O 3.47Å; R1328-D1376 PolarHBondContact O-N 2.83Å; D1376-Y1378 PolarHBondContact O-N 3.35Å; D1376-Y1378 WeakPolarHBondContact OD1-CA 3.46Å; D1376-Y1378 PolarHBondContact OD1-N 3.33Å; D1376-Y1411 HydrophobicContact CB-CE1 3.86Å; D1376-Y1411 WeakPolarHBondContact OD2-CE1 3.48Å; D1376-Y1411 PolarHBondContact OD2-OH 3.31Å; D1376-R1415 IonicContact OD1-CZ 3.25Å; D1376-R1415 VanDerWaalsContact OD1-CZ 3.25Å; D1376-R1415 IonicContact OD1-NE 3.28Å; D1376-R1415 PolarHBondContact OD1-NE 3.37Å; D1376-R1415 IonicContact OD1-NH1 2.81Å; D1376-R1415 PolarHBondContact OD1-NH1 2.95Å; D1376-R1415 WeakPolarHBondContact OD2-CD 3.47Å; D1376-R1415 IonicContact OD2-CZ 2.95Å; D1376-R1415 IonicContact OD2-NE 2.69Å; D1376-R1415 PolarHBondContact OD2-NE 3.36Å; D1376-R1415 IonicContact OD2-NH1 2.71Å |
| 1377 | N | 91.5 | Very high | 90 | Very high | 9 Ų | 9 | 28.4 Ų | 28.4 | 5% | 0.048 | 15% | 0.153 | C | C | . | . | trans | -91 | 25.8 | 173.3 | -162.7 | 21.9 | 0 | 0 | 0 | 111.9 | R1235 F1325 L1379 E1380 T1434 | R1235-N1377 PolarHBondContact NH1-OD1 3.16Å; F1325-N1377 VanDerWaalsContact CE2-O 3.28Å; F1325-N1377 WeakPolarHBondContact CE2-O 3.47Å; F1325-N1377 WeakPolarHBondContact CE2-OD1 3.3Å; F1325-N1377 WeakPolarHBondContact CZ-O 3.5Å; N1377-L1379 PolarHBondContact O-N 3.19Å; N1377-E1380 CarbonylContact C-O 3.58Å; N1377-E1380 HydrophobicContact CB-CG 4.28Å; N1377-E1380 PolarHBondContact N-O 2.79Å; N1377-E1380 VanDerWaalsContact N-O 3.07Å; N1377-T1434 PolarHBondContact ND2-O 2.94Å; N1377-T1434 VanDerWaalsContact ND2-O 3.11Å | ||
| 1378 | Y | 88.1 | Confident | 89 | Confident | 122 Ų | 122 | 32.7 Ų | 32.7 | 48% | 0.478 | 17% | 0.171 | S | C | . | . | S | Bend | trans | 63.4 | -48.4 | 175.6 | -168.7 | -83.1 | 0 | 0 | 0 | 117.4 | F1325 D1376 E1380 R1415 | F1325-Y1378 HydrophobicContact CB-CD2 3.91Å; F1325-Y1378 HydrophobicContact CB-CG 4.15Å; F1325-Y1378 AromaticContact CD1-CD1 3.81Å; F1325-Y1378 HydrophobicContact CD1-CD1 3.81Å; F1325-Y1378 HydrophobicContact CD1-CD2 4.22Å; F1325-Y1378 AromaticContact CD1-CG 3.61Å; F1325-Y1378 HydrophobicContact CD1-CG 3.61Å; F1325-Y1378 HydrophobicContact CD2-CG 4.16Å; F1325-Y1378 HydrophobicContact CE1-CD1 4Å; F1325-Y1378 AromaticContact CE1-CG 4Å; F1325-Y1378 HydrophobicContact CE1-CG 4Å; F1325-Y1378 VanDerWaalsContact CE2-CB 3.44Å; F1325-Y1378 VanDerWaalsContact CG-CB 3.45Å; F1325-Y1378 HydrophobicContact CG-CD1 4.38Å; F1325-Y1378 HydrophobicContact CG-CD2 4Å; F1325-Y1378 AromaticContact CG-CG 3.71Å; F1325-Y1378 HydrophobicContact CG-CG 3.71Å; F1325-Y1378 HydrophobicContact CZ-CG 4.45Å; D1376-Y1378 PolarHBondContact O-N 3.35Å; D1376-Y1378 WeakPolarHBondContact OD1-CA 3.46Å; D1376-Y1378 PolarHBondContact OD1-N 3.33Å; Y1378-E1380 VanDerWaalsContact C-N 3.34Å; Y1378-R1415 PolarHBondContact O-NH1 3.48Å; Y1378-R1415 PolarHBondContact O-NH2 2.94Å |
| 1379 | L | 84.3 | Confident | 87.9 | Confident | 92 Ų | 92 | 29.7 Ų | 29.7 | 48% | 0.482 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -77.1 | -29 | 174.4 | -61.4 | 179 | 0 | 0 | 0 | 111.5 | F1323 N1377 | F1323-L1379 HydrophobicContact CE1-CD1 3.73Å; F1323-L1379 HydrophobicContact CZ-CD1 3.78Å; N1377-L1379 PolarHBondContact O-N 3.19Å |
| 1380 | E | 88.9 | Confident | 86.7 | Confident | 20 Ų | 20 | 29.2 Ų | 29.2 | 9% | 0.093 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 162.2 | -171.8 | 57.2 | -167.9 | -163.9 | 0 | 0 | 109.2 | N1377 Y1378 Y1382 Y1424 T1434 | N1377-E1380 CarbonylContact C-O 3.58Å; N1377-E1380 HydrophobicContact CB-CG 4.28Å; N1377-E1380 PolarHBondContact N-O 2.79Å; N1377-E1380 VanDerWaalsContact N-O 3.07Å; Y1378-E1380 VanDerWaalsContact C-N 3.34Å; E1380-Y1382 HydrophobicContact CG-CE2 3.82Å; E1380-Y1382 WeakPolarHBondContact OE1-CE2 3.45Å; E1380-Y1382 VanDerWaalsContact OE1-CZ 3.24Å; E1380-Y1382 PolarHBondContact OE1-OH 3.45Å; E1380-Y1382 PolarHBondContact OE2-OH 3.42Å; E1380-Y1424 HydrophobicContact CB-CE2 4.31Å; E1380-T1434 WeakPolarHBondContact OE1-CB 3.3Å |
| 1381 | V | 95 | Very high | 85.1 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 138.5 | 177.8 | 178.9 | 0 | 0 | 0 | 0 | 108.1 | L1374 L1375 Y1411 P1421 I1422 A1423 Y1424 | L1374-V1381 HydrophobicContact CD2-CG1 3.81Å; L1374-V1381 HydrophobicContact CG-CG1 3.95Å; L1375-V1381 CarbonylContact O-C 3.07Å; L1375-V1381 WeakPolarHBondContact O-CA 3.33Å; V1381-Y1411 HydrophobicContact CG2-CD1 4.41Å; V1381-Y1411 HydrophobicContact CG2-CE1 4.43Å; V1381-P1421 HydrophobicContact CG2-CB 4.3Å; V1381-P1421 HydrophobicContact CG2-CG 3.88Å; V1381-I1422 PolarHBondContact N-O 2.94Å; V1381-A1423 CarbonylContact O-C 3.54Å; V1381-A1423 VanDerWaalsContact O-CA 3.27Å; V1381-A1423 WeakPolarHBondContact O-CA 3.29Å; V1381-Y1424 PolarHBondContact O-N 3.14Å |
| 1382 | Y | 96.4 | Very high | 83.2 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.008 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 139.2 | 175.6 | -65 | -72.5 | 0 | 0 | 0 | 109.9 | L1374 L1375 E1380 Y1424 I1426 P1432 T1434 F1435 | L1374-Y1382 CarbonylContact C-O 3.56Å; L1374-Y1382 WeakPolarHBondContact CA-O 3.42Å; L1375-Y1382 HydrophobicContact CD2-CD2 4.21Å; L1375-Y1382 PolarHBondContact N-O 2.85Å; L1375-Y1382 PolarHBondContact O-N 3.21Å; E1380-Y1382 HydrophobicContact CG-CE2 3.82Å; E1380-Y1382 WeakPolarHBondContact OE1-CE2 3.45Å; E1380-Y1382 VanDerWaalsContact OE1-CZ 3.24Å; E1380-Y1382 PolarHBondContact OE1-OH 3.45Å; E1380-Y1382 PolarHBondContact OE2-OH 3.42Å; Y1382-Y1424 CarbonylContact C-O 3.58Å; Y1382-Y1424 WeakPolarHBondContact CA-O 3.48Å; Y1382-Y1424 HydrophobicContact CD1-CD2 4.27Å; Y1382-Y1424 HydrophobicContact CD1-CG 4.46Å; Y1382-Y1424 AromaticContact CE1-CD2 3.82Å; Y1382-Y1424 HydrophobicContact CE1-CD2 3.82Å; Y1382-Y1424 HydrophobicContact CE1-CG 4.19Å; Y1382-I1426 HydrophobicContact CD1-CD1 3.15Å; Y1382-I1426 HydrophobicContact CD1-CG1 4.03Å; Y1382-I1426 HydrophobicContact CE1-CD1 3.61Å; Y1382-I1426 HydrophobicContact CG-CD1 3.82Å; Y1382-P1432 HydrophobicContact CE1-CG 3.94Å; Y1382-T1434 PolarHBondContact OH-OG1 3.14Å; Y1382-F1435 HydrophobicContact CD1-CD2 4.49Å; Y1382-F1435 HydrophobicContact CD2-CB 4.48Å; Y1382-F1435 AromaticContact CD2-CD2 3.87Å; Y1382-F1435 HydrophobicContact CD2-CD2 3.87Å; Y1382-F1435 HydrophobicContact CE2-CB 4.36Å; Y1382-F1435 AromaticContact CG-CD2 3.82Å; Y1382-F1435 HydrophobicContact CG-CD2 3.82Å |
| 1383 | L | 96.4 | Very high | 81.8 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 106.6 | 161.4 | 177.3 | 59.2 | 0 | 0 | 0 | 106.3 | L1332 L1372 F1373 A1404 M1405 Y1424 L1425 I1426 V1460 | L1332-L1383 HydrophobicContact CD1-CD1 4.25Å; L1372-L1383 HydrophobicContact CD2-CD1 4.33Å; F1373-L1383 CarbonylContact O-C 3.56Å; F1373-L1383 WeakPolarHBondContact O-CA 3.43Å; L1383-A1404 HydrophobicContact CD1-CB 3.97Å; L1383-A1404 HydrophobicContact CD2-CB 3.96Å; L1383-M1405 HydrophobicContact CD2-CB 4.39Å; L1383-M1405 HydrophobicContact CD2-CG 3.66Å; L1383-Y1424 PolarHBondContact N-O 3.37Å; L1383-L1425 HydrophobicContact CB-CD1 4.33Å; L1383-L1425 HydrophobicContact CD2-CD1 4.05Å; L1383-L1425 HydrophobicContact CG-CD1 4Å; L1383-L1425 WeakPolarHBondContact O-CA 3.49Å; L1383-I1426 PolarHBondContact O-N 2.98Å; L1383-V1460 HydrophobicContact CB-CG2 4.17Å |
| 1384 | W | 95.2 | Very high | 80.6 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 137 | 177.7 | -178.8 | 97.7 | 0 | 0 | 0 | 109.3 | L1364 Y1365 F1373 I1426 E1428 E1431 F1435 | L1364-W1384 HydrophobicContact CB-CH2 4.12Å; L1364-W1384 HydrophobicContact CB-CZ2 4.47Å; L1364-W1384 HydrophobicContact CB-CZ3 4.31Å; L1364-W1384 HydrophobicContact CD1-CZ2 4.31Å; Y1365-W1384 HydrophobicContact CE1-CH2 4.34Å; F1373-W1384 HydrophobicContact CB-CB 4.38Å; F1373-W1384 HydrophobicContact CB-CE3 4.4Å; F1373-W1384 AromaticContact CD2-CE3 3.82Å; F1373-W1384 HydrophobicContact CD2-CE3 3.82Å; F1373-W1384 AromaticContact CD2-CZ3 3.96Å; F1373-W1384 HydrophobicContact CD2-CZ3 3.96Å; F1373-W1384 HydrophobicContact CE2-CZ3 4.46Å; F1373-W1384 PolarHBondContact N-O 3.1Å; F1373-W1384 PolarHBondContact O-N 2.81Å; W1384-I1426 WeakPolarHBondContact CA-O 3.39Å; W1384-E1428 HydrophobicContact CH2-CB 4.47Å; W1384-E1428 HydrophobicContact CZ2-CB 3.8Å; W1384-E1428 HydrophobicContact CZ2-CG 4.01Å; W1384-E1431 PolarHBondContact NE1-OE1 2.89Å; W1384-F1435 HydrophobicContact CB-CE2 3.99Å; W1384-F1435 HydrophobicContact CB-CZ 3.98Å; W1384-F1435 AromaticContact CD1-CZ 3.53Å; W1384-F1435 HydrophobicContact CG-CE2 4.32Å; W1384-F1435 AromaticContact CG-CZ 3.87Å; W1384-F1435 HydrophobicContact CG-CZ 3.87Å |
| 1385 | Q | 91.7 | Very high | 79.4 | Confident | 15 Ų | 15 | 49.4 Ų | 49.4 | 7% | 0.07 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 138.2 | 174.7 | 72.7 | -174.5 | -3.2 | 0 | 0 | 110.5 | L1372 K1401 I1426 D1427 E1428 | L1372-Q1385 HydrophobicContact CD2-CB 3.66Å; Q1385-K1401 VanDerWaalsContact OE1-CD 3.32Å; Q1385-K1401 VanDerWaalsContact OE1-NZ 3.07Å; Q1385-I1426 PolarHBondContact N-O 2.63Å; Q1385-D1427 PolarHBondContact NE2-OD1 3.17Å; Q1385-E1428 PolarHBondContact O-N 3.48Å |
| 1386 | S | 86.4 | Confident | 78.5 | Confident | 9 Ų | 9 | 53 Ų | 53 | 6% | 0.063 | 29% | 0.294 | C | S | . | . | trans | -71.5 | 176.5 | 170.7 | 66.9 | 0 | 0 | 0 | 0 | 112.4 | Q1369 P1370 A1371 E1428 | Q1369-S1386 VanDerWaalsContact OE1-CB 3.24Å; Q1369-S1386 PolarHBondContact OE1-OG 3.38Å; P1370-S1386 WeakPolarHBondContact CA-OG 3.16Å; P1370-S1386 WeakPolarHBondContact CB-OG 3.38Å; A1371-S1386 PolarHBondContact N-OG 3.26Å; A1371-S1386 PolarHBondContact O-N 2.77Å; S1386-E1428 VanDerWaalsContact CA-OE2 3.25Å; S1386-E1428 WeakPolarHBondContact CA-OE2 3.34Å; S1386-E1428 WeakPolarHBondContact CB-OE2 3.24Å | ||
| 1387 | C | 72.1 | Confident | 77.9 | Confident | 92 Ų | 92 | 53.4 Ų | 53.4 | 62% | 0.622 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -51.7 | 154.9 | 175.1 | -156.6 | 0 | 0 | 0 | 0 | 114.4 | E1428 | C1387-E1428 PolarHBondContact N-OE2 3.16Š|
| 1388 | E | 62.8 | Low | 77.4 | Confident | 114 Ų | 114 | 54.4 Ų | 54.4 | 53% | 0.533 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 145 | -168.7 | -68.9 | -159.5 | 160.8 | 0 | 0 | 115.3 | R1394 | E1388-R1394 IonicContact OE1-CZ 2.86Å; E1388-R1394 IonicContact OE1-NH1 2.7Å; E1388-R1394 IonicContact OE1-NH2 3.8Å; E1388-R1394 PolarHBondContact OE1-NH2 3.17Å; E1388-R1394 IonicContact OE2-CZ 3.57Å; E1388-R1394 VanDerWaalsContact OE2-CZ 3.26Å; E1388-R1394 IonicContact OE2-NH1 2.69Å; E1388-R1394 PolarHBondContact OE2-NH1 3.39Å; E1388-R1394 IonicContact OE2-NH2 3.55Å; E1388-R1394 PolarHBondContact OE2-NH2 3.11Å |
| 1389 | T | 59.6 | Low | 77.3 | Confident | 15 Ų | 15 | 53.5 Ų | 53.5 | 9% | 0.092 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 146.2 | 168.1 | 48.7 | 0 | 0 | 0 | 0 | 113.3 | P1370 Q1393 W1397 | P1370-T1389 HydrophobicContact CG-CG2 3.62Å; T1389-Q1393 HydrophobicContact CG2-CB 4.13Å; T1389-W1397 HydrophobicContact CG2-CB 3.63Å; T1389-W1397 HydrophobicContact CG2-CD2 4.01Å; T1389-W1397 HydrophobicContact CG2-CG 3.54Å |
| 1390 | S | 58.4 | Low | 77.5 | Confident | 78 Ų | 78 | 50.8 Ų | 50.8 | 55% | 0.545 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 145.6 | 158.1 | 76.2 | 0 | 0 | 0 | 0 | 111.7 | P1392 Q1393 | S1390-P1392 WeakPolarHBondContact O-CD 3.44Å; S1390-P1392 VanDerWaalsContact O-N 3.08Å; S1390-Q1393 PolarHBondContact O-N 3.11Å; S1390-Q1393 VanDerWaalsContact O-N 3.15Å |
| 1391 | A | 52.5 | Low | 77.5 | Confident | 80 Ų | 80 | 50 Ų | 50 | 66% | 0.661 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -42.7 | -44.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | Q1393 R1394 | A1391-Q1393 VanDerWaalsContact C-N 3.29Å; A1391-Q1393 PolarHBondContact O-N 2.97Å; A1391-R1394 WeakPolarHBondContact O-CB 3.46Å; A1391-R1394 PolarHBondContact O-N 3.24Å |
| 1392 | P | 50.8 | Low | 77.3 | Confident | 112 Ų | 112 | 53.4 Ų | 53.4 | 73% | 0.727 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -65.2 | -23.3 | -176 | 24.3 | -35.6 | 0 | 0 | 0 | 115.4 | S1390 | S1390-P1392 WeakPolarHBondContact O-CD 3.44Å; S1390-P1392 VanDerWaalsContact O-N 3.08Å |
| 1393 | Q | 63.7 | Low | 77.1 | Confident | 116 Ų | 116 | 53.9 Ų | 53.9 | 54% | 0.542 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -94.6 | -10.1 | 179.4 | -77.6 | -177.1 | -31.2 | 0 | 0 | 114 | T1389 S1390 A1391 P1395 L1396 W1397 | T1389-Q1393 HydrophobicContact CG2-CB 4.13Å; S1390-Q1393 PolarHBondContact O-N 3.11Å; S1390-Q1393 VanDerWaalsContact O-N 3.15Å; A1391-Q1393 VanDerWaalsContact C-N 3.29Å; A1391-Q1393 PolarHBondContact O-N 2.97Å; Q1393-P1395 VanDerWaalsContact C-CD 3.45Å; Q1393-P1395 VanDerWaalsContact C-N 3.35Å; Q1393-P1395 VanDerWaalsContact O-N 3.17Å; Q1393-L1396 PolarHBondContact O-N 3.03Å; Q1393-W1397 PolarHBondContact O-N 3.25Å; Q1393-W1397 VanDerWaalsContact O-N 3.09Å |
| 1394 | R | 72 | Confident | 77 | Confident | 80 Ų | 80 | 53.8 Ų | 53.8 | 30% | 0.302 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -50.3 | -41.7 | -176.4 | -158 | 178.7 | -168.2 | 113.9 | 10.7 | 114.2 | E1388 A1391 L1396 W1397 D1398 | E1388-R1394 IonicContact OE1-CZ 2.86Å; E1388-R1394 IonicContact OE1-NH1 2.7Å; E1388-R1394 IonicContact OE1-NH2 3.8Å; E1388-R1394 PolarHBondContact OE1-NH2 3.17Å; E1388-R1394 IonicContact OE2-CZ 3.57Å; E1388-R1394 VanDerWaalsContact OE2-CZ 3.26Å; E1388-R1394 IonicContact OE2-NH1 2.69Å; E1388-R1394 PolarHBondContact OE2-NH1 3.39Å; E1388-R1394 IonicContact OE2-NH2 3.55Å; E1388-R1394 PolarHBondContact OE2-NH2 3.11Å; A1391-R1394 WeakPolarHBondContact O-CB 3.46Å; A1391-R1394 PolarHBondContact O-N 3.24Å; R1394-L1396 VanDerWaalsContact C-N 3.27Å; R1394-L1396 PolarHBondContact O-N 3.3Å; R1394-W1397 PolarHBondContact O-N 3.35Å; R1394-D1398 WeakPolarHBondContact O-CB 3.32Å; R1394-D1398 VanDerWaalsContact O-CG 3.28Å; R1394-D1398 PolarHBondContact O-N 2.98Å |
| 1395 | P | 70.6 | Confident | 77 | Confident | 70 Ų | 70 | 53.9 Ų | 53.9 | 46% | 0.455 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -73.3 | -8.1 | -179.6 | -18.4 | 33.6 | 0 | 0 | 0 | 116.1 | Q1393 K1399 | Q1393-P1395 VanDerWaalsContact C-CD 3.45Å; Q1393-P1395 VanDerWaalsContact C-N 3.35Å; Q1393-P1395 VanDerWaalsContact O-N 3.17Å; P1395-K1399 WeakPolarHBondContact O-CD 3.47Å; P1395-K1399 WeakPolarHBondContact O-CE 3.32Å; P1395-K1399 PolarHBondContact O-NZ 2.58Å |
| 1396 | L | 76.7 | Confident | 77.1 | Confident | 78 Ų | 78 | 57.2 Ų | 57.2 | 41% | 0.408 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -94.6 | -46.3 | 167.3 | -73.5 | 168.2 | 0 | 0 | 0 | 109.7 | Q1393 R1394 D1398 K1399 E1400 | Q1393-L1396 PolarHBondContact O-N 3.03Å; R1394-L1396 VanDerWaalsContact C-N 3.27Å; R1394-L1396 PolarHBondContact O-N 3.3Å; L1396-D1398 PolarHBondContact O-N 3.42Å; L1396-K1399 WeakPolarHBondContact O-CA 3.39Å; L1396-K1399 VanDerWaalsContact O-CB 3.32Å; L1396-K1399 WeakPolarHBondContact O-CB 3.43Å; L1396-K1399 PolarHBondContact O-N 3.38Å; L1396-E1400 PolarHBondContact O-N 2.89Å |
| 1397 | W | 83 | Confident | 77.5 | Confident | 17 Ų | 17 | 57.2 Ų | 57.2 | 6% | 0.064 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56.9 | -42.8 | 176.3 | -177.8 | -122.6 | 0 | 0 | 0 | 113.5 | P1370 L1372 T1389 Q1393 R1394 K1399 E1400 K1401 | P1370-W1397 HydrophobicContact CB-CH2 3.58Å; P1370-W1397 HydrophobicContact CB-CZ2 3.72Å; P1370-W1397 HydrophobicContact CB-CZ3 4.04Å; P1370-W1397 HydrophobicContact CG-CD2 4.07Å; P1370-W1397 HydrophobicContact CG-CE3 3.89Å; P1370-W1397 HydrophobicContact CG-CH2 3.82Å; P1370-W1397 HydrophobicContact CG-CZ2 4.02Å; P1370-W1397 HydrophobicContact CG-CZ3 3.77Å; L1372-W1397 HydrophobicContact CD1-CE3 4.5Å; L1372-W1397 HydrophobicContact CD1-CH2 4.02Å; L1372-W1397 HydrophobicContact CD1-CZ3 3.86Å; L1372-W1397 HydrophobicContact CD2-CH2 4.06Å; L1372-W1397 HydrophobicContact CD2-CZ2 4.39Å; L1372-W1397 HydrophobicContact CG-CH2 3.59Å; L1372-W1397 HydrophobicContact CG-CZ2 4.37Å; L1372-W1397 HydrophobicContact CG-CZ3 3.89Å; T1389-W1397 HydrophobicContact CG2-CB 3.63Å; T1389-W1397 HydrophobicContact CG2-CD2 4.01Å; T1389-W1397 HydrophobicContact CG2-CG 3.54Å; Q1393-W1397 PolarHBondContact O-N 3.25Å; Q1393-W1397 VanDerWaalsContact O-N 3.09Å; R1394-W1397 PolarHBondContact O-N 3.35Å; W1397-K1399 PolarHBondContact O-N 3.11Å; W1397-E1400 PolarHBondContact O-N 3.24Å; W1397-K1401 HydrophobicContact CD2-CD 4.29Å; W1397-K1401 HydrophobicContact CD2-CG 4.29Å; W1397-K1401 HydrophobicContact CG-CD 4.33Å; W1397-K1401 HydrophobicContact CZ2-CD 4.25Å; W1397-K1401 HydrophobicContact CZ2-CG 4.29Å; W1397-K1401 WeakPolarHBondContact O-CB 3.34Å; W1397-K1401 WeakPolarHBondContact O-CG 3.17Å; W1397-K1401 PolarHBondContact O-N 3.22Å |
| 1398 | D | 82 | Confident | 78.6 | Confident | 30 Ų | 30 | 52.8 Ų | 52.8 | 16% | 0.16 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.1 | -26.6 | 175.8 | -71.7 | -14.7 | 0 | 0 | 0 | 112.2 | R1394 L1396 K1402 | R1394-D1398 WeakPolarHBondContact O-CB 3.32Å; R1394-D1398 VanDerWaalsContact O-CG 3.28Å; R1394-D1398 PolarHBondContact O-N 2.98Å; L1396-D1398 PolarHBondContact O-N 3.42Å; D1398-K1402 VanDerWaalsContact O-CB 3.28Å; D1398-K1402 WeakPolarHBondContact O-CB 3.45Å; D1398-K1402 PolarHBondContact O-N 3.02Å; D1398-K1402 VanDerWaalsContact O-N 3.12Å |
| 1399 | K | 84.1 | Confident | 80.1 | Confident | 103 Ų | 103 | 48.4 Ų | 48.4 | 45% | 0.448 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -77.8 | -44.8 | 172.9 | -63.6 | 169.2 | -174.5 | 154.2 | 0 | 111.3 | W1048 P1395 L1396 W1397 K1402 C1403 | W1048-K1399 HydrophobicContact CE3-CB 4.31Å; W1048-K1399 HydrophobicContact CH2-CB 4.13Å; W1048-K1399 HydrophobicContact CH2-CD 4.46Å; W1048-K1399 HydrophobicContact CZ3-CB 3.84Å; P1395-K1399 WeakPolarHBondContact O-CD 3.47Å; P1395-K1399 WeakPolarHBondContact O-CE 3.32Å; P1395-K1399 PolarHBondContact O-NZ 2.58Å; L1396-K1399 WeakPolarHBondContact O-CA 3.39Å; L1396-K1399 VanDerWaalsContact O-CB 3.32Å; L1396-K1399 WeakPolarHBondContact O-CB 3.43Å; L1396-K1399 PolarHBondContact O-N 3.38Å; W1397-K1399 PolarHBondContact O-N 3.11Å; K1399-K1402 PolarHBondContact O-N 3.38Å; K1399-C1403 WeakPolarHBondContact O-CB 3.3Å; K1399-C1403 PolarHBondContact O-N 2.9Å; K1399-C1403 PolarHBondContact O-SG 3.33Å; K1399-C1403 VanDerWaalsContact O-SG 3.33Å |
| 1400 | E | 89.1 | Confident | 81.7 | Confident | 35 Ų | 35 | 51.2 Ų | 51.2 | 16% | 0.164 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 175.4 | -72 | -175.1 | -113.2 | 0 | 0 | 111.4 | W1048 A1334 F1339 L1372 L1396 W1397 K1402 C1403 A1404 | W1048-E1400 HydrophobicContact CH2-CG 4.43Å; W1048-E1400 HydrophobicContact CZ3-CG 3.86Å; A1334-E1400 HydrophobicContact CB-CG 3.77Å; A1334-E1400 PolarHBondContact N-OE2 3.07Å; F1339-E1400 HydrophobicContact CD2-CG 4.41Å; F1339-E1400 HydrophobicContact CE2-CB 4.37Å; L1372-E1400 HydrophobicContact CD1-CB 4.18Å; L1396-E1400 PolarHBondContact O-N 2.89Å; W1397-E1400 PolarHBondContact O-N 3.24Å; E1400-K1402 PolarHBondContact O-N 3.14Å; E1400-C1403 PolarHBondContact O-N 3.08Å; E1400-A1404 WeakPolarHBondContact O-CB 3.47Å; E1400-A1404 PolarHBondContact O-N 3.11Å |
| 1401 | K | 90 | Very high | 83.4 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 1% | 0.013 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -54 | -48.9 | 170.3 | -81 | 178.4 | 53.2 | 162.7 | 0 | 111.9 | L1372 Q1385 W1397 A1404 M1405 E1484 | L1372-K1401 HydrophobicContact CD1-CG 4.19Å; L1372-K1401 HydrophobicContact CD2-CG 4.13Å; Q1385-K1401 VanDerWaalsContact OE1-CD 3.32Å; Q1385-K1401 VanDerWaalsContact OE1-NZ 3.07Å; W1397-K1401 HydrophobicContact CD2-CD 4.29Å; W1397-K1401 HydrophobicContact CD2-CG 4.29Å; W1397-K1401 HydrophobicContact CG-CD 4.33Å; W1397-K1401 HydrophobicContact CZ2-CD 4.25Å; W1397-K1401 HydrophobicContact CZ2-CG 4.29Å; W1397-K1401 WeakPolarHBondContact O-CB 3.34Å; W1397-K1401 WeakPolarHBondContact O-CG 3.17Å; W1397-K1401 PolarHBondContact O-N 3.22Å; K1401-A1404 PolarHBondContact O-N 3Å; K1401-M1405 VanDerWaalsContact O-CG 3.27Å; K1401-M1405 WeakPolarHBondContact O-CG 3.06Å; K1401-M1405 PolarHBondContact O-N 3.35Å; K1401-E1484 WeakPolarHBondContact CE-OE1 3.44Å; K1401-E1484 IonicContact NZ-OE1 2.67Å; K1401-E1484 PolarHBondContact NZ-OE1 3.02Å |
| 1402 | K | 90.1 | Very high | 85.3 | Confident | 71 Ų | 71 | 43.9 Ų | 43.9 | 31% | 0.309 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.5 | -46.1 | 177.3 | 173.7 | 171.5 | 171.3 | 172.3 | 0 | 112.2 | D1398 K1399 E1400 A1404 M1405 E1406 L1464 N1468 | D1398-K1402 VanDerWaalsContact O-CB 3.28Å; D1398-K1402 WeakPolarHBondContact O-CB 3.45Å; D1398-K1402 PolarHBondContact O-N 3.02Å; D1398-K1402 VanDerWaalsContact O-N 3.12Å; K1399-K1402 PolarHBondContact O-N 3.38Å; E1400-K1402 PolarHBondContact O-N 3.14Å; K1402-A1404 VanDerWaalsContact C-N 3.34Å; K1402-A1404 PolarHBondContact O-N 2.78Å; K1402-M1405 PolarHBondContact O-N 3.24Å; K1402-E1406 WeakPolarHBondContact CE-OE1 3.48Å; K1402-E1406 IonicContact NZ-OE1 3.83Å; K1402-E1406 WeakPolarHBondContact O-CG 3.48Å; K1402-E1406 PolarHBondContact O-N 2.95Å; K1402-L1464 HydrophobicContact CG-CD1 3.9Å; K1402-N1468 WeakPolarHBondContact CE-OD1 3.15Å; K1402-N1468 PolarHBondContact NZ-OD1 2.93Å |
| 1403 | C | 91.7 | Very high | 87.3 | Confident | 12 Ų | 12 | 43 Ų | 43 | 8% | 0.081 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.5 | -36.2 | 178.2 | -70.7 | 0 | 0 | 0 | 0 | 112.1 | W1048 F1339 K1399 E1400 T1407 | W1048-C1403 PolarHBondContact O-SG 3.43Å; W1048-C1403 VanDerWaalsContact O-SG 3.37Å; F1339-C1403 HydrophobicContact CD1-CB 3.75Å; F1339-C1403 HydrophobicContact CD2-CB 3.85Å; F1339-C1403 HydrophobicContact CE1-CB 3.89Å; F1339-C1403 HydrophobicContact CE2-CB 3.97Å; F1339-C1403 HydrophobicContact CG-CB 3.74Å; F1339-C1403 HydrophobicContact CZ-CB 3.99Å; K1399-C1403 WeakPolarHBondContact O-CB 3.3Å; K1399-C1403 PolarHBondContact O-N 2.9Å; K1399-C1403 PolarHBondContact O-SG 3.33Å; K1399-C1403 VanDerWaalsContact O-SG 3.33Å; E1400-C1403 PolarHBondContact O-N 3.08Å; C1403-T1407 WeakPolarHBondContact O-CB 3.24Å; C1403-T1407 PolarHBondContact O-N 3.37Å; C1403-T1407 PolarHBondContact O-OG1 2.9Å |
| 1404 | A | 94.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.8 | -43.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1332 F1339 L1372 L1383 E1400 K1401 K1402 T1407 A1408 | L1332-A1404 HydrophobicContact CD1-CB 3.79Å; F1339-A1404 HydrophobicContact CE2-CB 4.44Å; F1339-A1404 HydrophobicContact CZ-CB 3.8Å; F1339-A1404 VanDerWaalsContact CZ-N 3.35Å; L1372-A1404 HydrophobicContact CD1-CB 3.97Å; L1383-A1404 HydrophobicContact CD1-CB 3.97Å; L1383-A1404 HydrophobicContact CD2-CB 3.96Å; E1400-A1404 WeakPolarHBondContact O-CB 3.47Å; E1400-A1404 PolarHBondContact O-N 3.11Å; K1401-A1404 PolarHBondContact O-N 3Å; K1402-A1404 VanDerWaalsContact C-N 3.34Å; K1402-A1404 PolarHBondContact O-N 2.78Å; A1404-T1407 PolarHBondContact O-N 2.83Å; A1404-A1408 WeakPolarHBondContact O-CB 3.44Å; A1404-A1408 PolarHBondContact O-N 3.03Å |
| 1405 | M | 94.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.2 | -43.4 | 175.4 | -69.4 | -175.2 | -159.6 | 0 | 0 | 112.4 | L1383 K1401 K1402 A1408 L1409 L1425 V1460 A1463 L1464 L1467 | L1383-M1405 HydrophobicContact CD2-CB 4.39Å; L1383-M1405 HydrophobicContact CD2-CG 3.66Å; K1401-M1405 VanDerWaalsContact O-CG 3.27Å; K1401-M1405 WeakPolarHBondContact O-CG 3.06Å; K1401-M1405 PolarHBondContact O-N 3.35Å; K1402-M1405 PolarHBondContact O-N 3.24Å; M1405-A1408 PolarHBondContact O-N 3.39Å; M1405-L1409 WeakPolarHBondContact O-CG 3.35Å; M1405-L1409 PolarHBondContact O-N 3.16Å; M1405-L1425 HydrophobicContact CE-CD1 4.13Å; M1405-L1425 HydrophobicContact CE-CD2 3.78Å; M1405-V1460 HydrophobicContact CB-CG1 3.61Å; M1405-V1460 HydrophobicContact CG-CG1 3.85Å; M1405-V1460 WeakPolarHBondContact O-CG1 3.5Å; M1405-A1463 HydrophobicContact CE-CB 3.96Å; M1405-A1463 HydrophobicContact SD-CB 3.81Å; M1405-L1464 HydrophobicContact CB-CB 4.17Å; M1405-L1464 HydrophobicContact CB-CD1 4.06Å; M1405-L1464 HydrophobicContact CB-CD2 4.47Å; M1405-L1464 HydrophobicContact CB-CG 4.46Å; M1405-L1464 HydrophobicContact SD-CB 4.01Å; M1405-L1467 HydrophobicContact CE-CD1 3.6Å; M1405-L1467 HydrophobicContact SD-CD1 3.78Å |
| 1406 | E | 94.1 | Very high | 90.2 | Very high | 85 Ų | 85 | 38.1 Ų | 38.1 | 40% | 0.397 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -64.8 | -41.5 | 175.4 | -74.1 | -178.1 | -162.5 | 0 | 0 | 111.7 | K1402 L1409 Q1410 L1464 | K1402-E1406 WeakPolarHBondContact CE-OE1 3.48Å; K1402-E1406 IonicContact NZ-OE1 3.83Å; K1402-E1406 WeakPolarHBondContact O-CG 3.48Å; K1402-E1406 PolarHBondContact O-N 2.95Å; E1406-L1409 PolarHBondContact O-N 2.8Å; E1406-Q1410 VanDerWaalsContact O-CB 3.32Å; E1406-Q1410 WeakPolarHBondContact O-CB 3.4Å; E1406-Q1410 PolarHBondContact O-N 3.16Å; E1406-L1464 HydrophobicContact CG-CD1 3.93Å; E1406-L1464 HydrophobicContact CG-CD2 3.66Å; E1406-L1464 HydrophobicContact CG-CG 4.45Å |
| 1407 | T | 94.5 | Very high | 90.8 | Very high | 9 Ų | 9 | 39.5 Ų | 39.5 | 6% | 0.055 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.5 | -45.8 | 175 | -63 | 0 | 0 | 0 | 0 | 111.4 | C1050 V1052 L1055 F1339 C1403 A1404 Q1410 Y1411 | C1050-T1407 HydrophobicContact CB-CG2 3.99Å; V1052-T1407 HydrophobicContact CG2-CG2 3.95Å; L1055-T1407 HydrophobicContact CD2-CG2 4.39Å; F1339-T1407 WeakPolarHBondContact CE1-OG1 3.36Å; C1403-T1407 WeakPolarHBondContact O-CB 3.24Å; C1403-T1407 PolarHBondContact O-N 3.37Å; C1403-T1407 PolarHBondContact O-OG1 2.9Å; A1404-T1407 PolarHBondContact O-N 2.83Å; T1407-Q1410 CarbonylContact O-C 3.54Å; T1407-Q1410 PolarHBondContact O-N 3.28Å; T1407-Y1411 WeakPolarHBondContact O-CB 3.43Å; T1407-Y1411 PolarHBondContact O-N 2.86Å |
| 1408 | A | 95.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.8 | -47.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1374 A1404 M1405 Q1410 Y1411 C1412 V1460 | L1374-A1408 HydrophobicContact CD1-CB 3.91Å; A1404-A1408 WeakPolarHBondContact O-CB 3.44Å; A1404-A1408 PolarHBondContact O-N 3.03Å; M1405-A1408 PolarHBondContact O-N 3.39Å; A1408-Q1410 VanDerWaalsContact C-N 3.27Å; A1408-Q1410 PolarHBondContact O-N 3.02Å; A1408-Y1411 PolarHBondContact O-N 3.05Å; A1408-C1412 PolarHBondContact O-N 2.82Å; A1408-C1412 PolarHBondContact O-SG 3.31Å; A1408-V1460 HydrophobicContact CB-CG1 4.44Å |
| 1409 | L | 94.3 | Very high | 91.4 | Very high | 22 Ų | 22 | 53.1 Ų | 53.1 | 12% | 0.115 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.6 | -31.1 | 176.3 | -68.6 | 172.7 | 0 | 0 | 0 | 112.6 | M1405 E1406 K1413 A1423 V1460 Q1461 L1464 | M1405-L1409 WeakPolarHBondContact O-CG 3.35Å; M1405-L1409 PolarHBondContact O-N 3.16Å; E1406-L1409 PolarHBondContact O-N 2.8Å; L1409-K1413 VanDerWaalsContact O-CD 3.28Å; L1409-K1413 WeakPolarHBondContact O-CD 3.44Å; L1409-K1413 VanDerWaalsContact O-CE 3.23Å; L1409-K1413 WeakPolarHBondContact O-CE 3.5Å; L1409-K1413 WeakPolarHBondContact O-CG 3.42Å; L1409-K1413 PolarHBondContact O-N 3.01Å; L1409-A1423 HydrophobicContact CD2-CB 4.29Å; L1409-V1460 HydrophobicContact CD1-CG1 4.14Å; L1409-V1460 HydrophobicContact CD2-CB 4.31Å; L1409-V1460 HydrophobicContact CD2-CG1 4.16Å; L1409-V1460 HydrophobicContact CG-CB 4.46Å; L1409-V1460 HydrophobicContact CG-CG1 3.77Å; L1409-Q1461 HydrophobicContact CD1-CB 4.41Å; L1409-Q1461 HydrophobicContact CD2-CB 4.18Å; L1409-L1464 HydrophobicContact CD1-CD2 3.54Å |
| 1410 | Q | 92.8 | Very high | 91.7 | Very high | 74 Ų | 74 | 51.3 Ų | 51.3 | 35% | 0.346 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -78 | -34.9 | 175.4 | -175.9 | 54.6 | 33.1 | 0 | 0 | 112.1 | V1052 E1406 T1407 A1408 K1413 E1414 | V1052-Q1410 HydrophobicContact CB-CG 4.13Å; V1052-Q1410 HydrophobicContact CG1-CG 4.14Å; V1052-Q1410 HydrophobicContact CG2-CB 4.05Å; V1052-Q1410 HydrophobicContact CG2-CG 3.91Å; E1406-Q1410 VanDerWaalsContact O-CB 3.32Å; E1406-Q1410 WeakPolarHBondContact O-CB 3.4Å; E1406-Q1410 PolarHBondContact O-N 3.16Å; T1407-Q1410 CarbonylContact O-C 3.54Å; T1407-Q1410 PolarHBondContact O-N 3.28Å; A1408-Q1410 VanDerWaalsContact C-N 3.27Å; A1408-Q1410 PolarHBondContact O-N 3.02Å; Q1410-K1413 WeakPolarHBondContact O-CB 3.12Å; Q1410-K1413 PolarHBondContact O-N 2.7Å; Q1410-K1413 VanDerWaalsContact O-N 3.16Å; Q1410-E1414 PolarHBondContact O-N 3.05Å |
| 1411 | Y | 94.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60 | -48.5 | 171.7 | -179.9 | -92.8 | 0 | 0 | 0 | 111.1 | V1052 L1055 F1056 R1328 F1330 L1374 D1376 V1381 T1407 A1408 K1413 E1414 R1415 | V1052-Y1411 VanDerWaalsContact CG1-CA 3.46Å; L1055-Y1411 HydrophobicContact CD2-CD2 3.9Å; L1055-Y1411 HydrophobicContact CD2-CE2 4.39Å; L1055-Y1411 HydrophobicContact CG-CD2 4.47Å; F1056-Y1411 HydrophobicContact CB-CD2 4.19Å; F1056-Y1411 HydrophobicContact CB-CE2 3.94Å; F1056-Y1411 AromaticContact CD2-CE2 3.94Å; F1056-Y1411 HydrophobicContact CD2-CE2 3.94Å; F1056-Y1411 HydrophobicContact CG-CE2 4.45Å; R1328-Y1411 PolarHBondContact NH1-OH 2.84Å; F1330-Y1411 HydrophobicContact CE2-CE2 4.29Å; F1330-Y1411 HydrophobicContact CZ-CE2 4.15Å; L1374-Y1411 HydrophobicContact CD1-CG 4.44Å; L1374-Y1411 HydrophobicContact CD2-CD1 4.2Å; L1374-Y1411 HydrophobicContact CD2-CE1 4.27Å; D1376-Y1411 HydrophobicContact CB-CE1 3.86Å; D1376-Y1411 WeakPolarHBondContact OD2-CE1 3.48Å; D1376-Y1411 PolarHBondContact OD2-OH 3.31Å; V1381-Y1411 HydrophobicContact CG2-CD1 4.41Å; V1381-Y1411 HydrophobicContact CG2-CE1 4.43Å; T1407-Y1411 WeakPolarHBondContact O-CB 3.43Å; T1407-Y1411 PolarHBondContact O-N 2.86Å; A1408-Y1411 PolarHBondContact O-N 3.05Å; Y1411-K1413 VanDerWaalsContact C-N 3.25Å; Y1411-K1413 PolarHBondContact O-N 3.49Å; Y1411-E1414 PolarHBondContact O-N 2.99Å; Y1411-R1415 WeakPolarHBondContact O-CB 3.49Å; Y1411-R1415 PolarHBondContact O-N 3.38Å |
| 1412 | C | 93.4 | Very high | 91.8 | Very high | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.02 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.3 | -39.5 | 173.7 | -63.3 | 0 | 0 | 0 | 0 | 112.3 | A1408 N1416 P1420 P1421 | A1408-C1412 PolarHBondContact O-N 2.82Å; A1408-C1412 PolarHBondContact O-SG 3.31Å; C1412-N1416 PolarHBondContact O-N 3.2Å; C1412-N1416 VanDerWaalsContact O-N 3.15Å; C1412-P1420 HydrophobicContact CB-CB 3.92Å; C1412-P1420 WeakPolarHBondContact O-CA 3.48Å; C1412-P1420 WeakPolarHBondContact O-CB 3.49Å; C1412-P1421 HydrophobicContact CB-CG 3.9Å; C1412-P1421 WeakPolarHBondContact O-CD 3.38Å; C1412-P1421 PolarHBondContact SG-O 3.05Å |
| 1413 | K | 92.4 | Very high | 92.1 | Very high | 94 Ų | 94 | 51.4 Ų | 51.4 | 41% | 0.409 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -69 | -44.9 | 178.5 | -69.6 | 161.6 | -158.4 | 153.5 | 0 | 112.7 | L1409 Q1410 Y1411 N1416 P1417 P1420 | L1409-K1413 VanDerWaalsContact O-CD 3.28Å; L1409-K1413 WeakPolarHBondContact O-CD 3.44Å; L1409-K1413 VanDerWaalsContact O-CE 3.23Å; L1409-K1413 WeakPolarHBondContact O-CE 3.5Å; L1409-K1413 WeakPolarHBondContact O-CG 3.42Å; L1409-K1413 PolarHBondContact O-N 3.01Å; Q1410-K1413 WeakPolarHBondContact O-CB 3.12Å; Q1410-K1413 PolarHBondContact O-N 2.7Å; Q1410-K1413 VanDerWaalsContact O-N 3.16Å; Y1411-K1413 VanDerWaalsContact C-N 3.25Å; Y1411-K1413 PolarHBondContact O-N 3.49Å; K1413-N1416 CarbonylContact O-C 3.58Å; K1413-P1417 WeakPolarHBondContact O-CA 3.06Å; K1413-P1417 WeakPolarHBondContact O-CD 3.42Å; K1413-P1417 VanDerWaalsContact O-CG 3.24Å; K1413-P1417 WeakPolarHBondContact O-CG 3.43Å; K1413-P1420 HydrophobicContact CG-CG 4.25Å |
| 1414 | E | 91.4 | Very high | 92.3 | Very high | 56 Ų | 56 | 52.1 Ų | 52.1 | 26% | 0.262 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -69.2 | -40.2 | 179.5 | -160.7 | 73.4 | -170.6 | 0 | 0 | 110.7 | V1052 R1053 F1056 Q1410 Y1411 N1416 P1417 | V1052-E1414 HydrophobicContact CG1-CB 3.95Å; R1053-E1414 HydrophobicContact CG-CG 4.21Å; R1053-E1414 IonicContact CZ-OE1 3.57Å; R1053-E1414 IonicContact NE-OE1 3.49Å; R1053-E1414 PolarHBondContact NE-OE1 3.04Å; R1053-E1414 IonicContact NH2-OE1 3.64Å; R1053-E1414 IonicContact NH2-OE2 2.7Å; F1056-E1414 HydrophobicContact CD1-CG 4.41Å; Q1410-E1414 PolarHBondContact O-N 3.05Å; Y1411-E1414 PolarHBondContact O-N 2.99Å; E1414-N1416 PolarHBondContact O-N 3.19Å; E1414-P1417 WeakPolarHBondContact O-CD 3.41Å |
| 1415 | R | 88.1 | Confident | 92.3 | Very high | 42 Ų | 42 | 53 Ų | 53 | 16% | 0.158 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.2 | -37.1 | 178.5 | 177.9 | 160.1 | 176.3 | -89.6 | -36 | 113.6 | F1056 D1376 Y1378 Y1411 | F1056-R1415 HydrophobicContact CD2-CB 3.81Å; F1056-R1415 HydrophobicContact CD2-CG 4.11Å; F1056-R1415 HydrophobicContact CE2-CB 3.62Å; F1056-R1415 HydrophobicContact CE2-CG 3.5Å; F1056-R1415 HydrophobicContact CZ-CB 4.22Å; F1056-R1415 HydrophobicContact CZ-CG 4.16Å; D1376-R1415 IonicContact OD1-CZ 3.25Å; D1376-R1415 VanDerWaalsContact OD1-CZ 3.25Å; D1376-R1415 IonicContact OD1-NE 3.28Å; D1376-R1415 PolarHBondContact OD1-NE 3.37Å; D1376-R1415 IonicContact OD1-NH1 2.81Å; D1376-R1415 PolarHBondContact OD1-NH1 2.95Å; D1376-R1415 WeakPolarHBondContact OD2-CD 3.47Å; D1376-R1415 IonicContact OD2-CZ 2.95Å; D1376-R1415 IonicContact OD2-NE 2.69Å; D1376-R1415 PolarHBondContact OD2-NE 3.36Å; D1376-R1415 IonicContact OD2-NH1 2.71Å; Y1378-R1415 PolarHBondContact O-NH1 3.48Å; Y1378-R1415 PolarHBondContact O-NH2 2.94Å; Y1411-R1415 WeakPolarHBondContact O-CB 3.49Å; Y1411-R1415 PolarHBondContact O-N 3.38Å |
| 1416 | N | 88.4 | Confident | 92.1 | Very high | 66 Ų | 66 | 53.1 Ų | 53.1 | 35% | 0.353 | 25% | 0.254 | S | S | . | . | trans | -148.6 | 88.8 | 169.4 | -173.2 | -11.2 | 0 | 0 | 0 | 112.8 | C1412 K1413 E1414 R1418 R1419 P1420 | C1412-N1416 PolarHBondContact O-N 3.2Å; C1412-N1416 VanDerWaalsContact O-N 3.15Å; K1413-N1416 CarbonylContact O-C 3.58Å; E1414-N1416 PolarHBondContact O-N 3.19Å; N1416-R1418 PolarHBondContact O-N 3.15Å; N1416-R1418 PolarHBondContact OD1-N 3.13Å; N1416-R1419 VanDerWaalsContact CB-O 3.28Å; N1416-R1419 WeakPolarHBondContact CB-O 3.46Å; N1416-R1419 PolarHBondContact ND2-O 3.39Å; N1416-R1419 CarbonylContact O-C 3.56Å; N1416-R1419 VanDerWaalsContact O-C 3.24Å; N1416-R1419 PolarHBondContact O-N 3.34Å; N1416-R1419 VanDerWaalsContact O-N 3.15Å; N1416-R1419 PolarHBondContact OD1-N 3.42Å; N1416-P1420 WeakPolarHBondContact O-CD 3.49Å; N1416-P1420 VanDerWaalsContact O-N 3.08Å | ||
| 1417 | P | 89.3 | Confident | 91.8 | Very high | 106 Ų | 106 | 51.1 Ų | 51.1 | 69% | 0.688 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 0.2 | -176.5 | -21.8 | 31.4 | 0 | 0 | 0 | 115.9 | K1413 E1414 | K1413-P1417 WeakPolarHBondContact O-CA 3.06Å; K1413-P1417 WeakPolarHBondContact O-CD 3.42Å; K1413-P1417 VanDerWaalsContact O-CG 3.24Å; K1413-P1417 WeakPolarHBondContact O-CG 3.43Å; E1414-P1417 WeakPolarHBondContact O-CD 3.41Å |
| 1418 | R | 89.1 | Confident | 91.6 | Very high | 204 Ų | 204 | 53.3 Ų | 53.3 | 77% | 0.77 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.1 | -24.6 | 178.3 | -67 | 179.1 | 177.3 | 156.5 | 2.6 | 113.8 | N1416 | N1416-R1418 PolarHBondContact O-N 3.15Å; N1416-R1418 PolarHBondContact OD1-N 3.13Å |
| 1419 | R | 88.5 | Confident | 91.1 | Very high | 129 Ų | 129 | 55.9 Ų | 55.9 | 49% | 0.487 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -156.7 | 80.9 | 176.8 | -74.2 | -172.2 | -178.7 | 170.1 | -3.7 | 107.3 | P195 N1416 | P195-R1419 VanDerWaalsContact CD-NH2 3.34Å; N1416-R1419 VanDerWaalsContact CB-O 3.28Å; N1416-R1419 WeakPolarHBondContact CB-O 3.46Å; N1416-R1419 PolarHBondContact ND2-O 3.39Å; N1416-R1419 CarbonylContact O-C 3.56Å; N1416-R1419 VanDerWaalsContact O-C 3.24Å; N1416-R1419 PolarHBondContact O-N 3.34Å; N1416-R1419 VanDerWaalsContact O-N 3.15Å; N1416-R1419 PolarHBondContact OD1-N 3.42Å |
| 1420 | P | 90 | Very high | 90.7 | Very high | 66 Ų | 66 | 56 Ų | 56 | 43% | 0.429 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 138.4 | 174.2 | -26.4 | 36.4 | 0 | 0 | 0 | 110 | C1412 K1413 N1416 | C1412-P1420 HydrophobicContact CB-CB 3.92Å; C1412-P1420 WeakPolarHBondContact O-CA 3.48Å; C1412-P1420 WeakPolarHBondContact O-CB 3.49Å; K1413-P1420 HydrophobicContact CG-CG 4.25Å; N1416-P1420 WeakPolarHBondContact O-CD 3.49Å; N1416-P1420 VanDerWaalsContact O-N 3.08Å |
| 1421 | P | 90.4 | Very high | 90.6 | Very high | 19 Ų | 19 | 53.5 Ų | 53.5 | 12% | 0.123 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 154 | 168.7 | 28.7 | -35.3 | 0 | 0 | 0 | 109.9 | V1381 C1412 | V1381-P1421 HydrophobicContact CG2-CB 4.3Å; V1381-P1421 HydrophobicContact CG2-CG 3.88Å; C1412-P1421 HydrophobicContact CB-CG 3.9Å; C1412-P1421 WeakPolarHBondContact O-CD 3.38Å; C1412-P1421 PolarHBondContact SG-O 3.05Å |
| 1422 | I | 91.6 | Very high | 90.4 | Very high | 84 Ų | 84 | 54.5 Ų | 54.5 | 43% | 0.431 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 138.3 | 177.8 | -55.2 | 178.2 | 0 | 0 | 0 | 108.4 | V1381 Y1424 L1459 | V1381-I1422 PolarHBondContact N-O 2.94Å; I1422-Y1424 HydrophobicContact CB-CE2 4Å; I1422-Y1424 HydrophobicContact CG2-CD2 4.22Å; I1422-Y1424 HydrophobicContact CG2-CE1 3.97Å; I1422-Y1424 HydrophobicContact CG2-CE2 3.65Å; I1422-L1459 HydrophobicContact CG2-CD2 3.45Å; I1422-L1459 VanDerWaalsContact CG2-CD2 3.45Å |
| 1423 | A | 95.3 | Very high | 90.3 | Very high | 8 Ų | 8 | 56.7 Ų | 56.7 | 7% | 0.066 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 123.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | V1381 L1409 V1460 | V1381-A1423 CarbonylContact O-C 3.54Å; V1381-A1423 VanDerWaalsContact O-CA 3.27Å; V1381-A1423 WeakPolarHBondContact O-CA 3.29Å; L1409-A1423 HydrophobicContact CD2-CB 4.29Å; A1423-V1460 HydrophobicContact CB-CB 3.87Å; A1423-V1460 HydrophobicContact CB-CG2 3.79Å; A1423-V1460 PolarHBondContact O-N 2.79Å |
| 1424 | Y | 95.6 | Very high | 90.3 | Very high | 27 Ų | 27 | 53.9 Ų | 53.9 | 11% | 0.106 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 139.5 | 178.3 | -60.1 | -83.2 | 0 | 0 | 0 | 111.1 | E1380 V1381 Y1382 L1383 I1422 L1457 T1458 L1459 | E1380-Y1424 HydrophobicContact CB-CE2 4.31Å; V1381-Y1424 PolarHBondContact O-N 3.14Å; Y1382-Y1424 CarbonylContact C-O 3.58Å; Y1382-Y1424 WeakPolarHBondContact CA-O 3.48Å; Y1382-Y1424 HydrophobicContact CD1-CD2 4.27Å; Y1382-Y1424 HydrophobicContact CD1-CG 4.46Å; Y1382-Y1424 AromaticContact CE1-CD2 3.82Å; Y1382-Y1424 HydrophobicContact CE1-CD2 3.82Å; Y1382-Y1424 HydrophobicContact CE1-CG 4.19Å; L1383-Y1424 PolarHBondContact N-O 3.37Å; I1422-Y1424 HydrophobicContact CB-CE2 4Å; I1422-Y1424 HydrophobicContact CG2-CD2 4.22Å; I1422-Y1424 HydrophobicContact CG2-CE1 3.97Å; I1422-Y1424 HydrophobicContact CG2-CE2 3.65Å; Y1424-L1457 HydrophobicContact CD1-CB 4.1Å; Y1424-T1458 CarbonylContact C-O 3.54Å; Y1424-T1458 WeakPolarHBondContact CA-O 3.22Å; Y1424-L1459 HydrophobicContact CD1-CD2 3.79Å; Y1424-L1459 HydrophobicContact CE1-CD2 3.59Å |
| 1425 | L | 94.2 | Very high | 90.4 | Very high | 17 Ų | 17 | 51.2 Ų | 51.2 | 9% | 0.089 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 132.7 | 167 | -176.4 | 69.7 | 0 | 0 | 0 | 108.5 | L1383 M1405 T1458 V1460 A1463 | L1383-L1425 HydrophobicContact CB-CD1 4.33Å; L1383-L1425 HydrophobicContact CD2-CD1 4.05Å; L1383-L1425 HydrophobicContact CG-CD1 4Å; L1383-L1425 WeakPolarHBondContact O-CA 3.49Å; M1405-L1425 HydrophobicContact CE-CD1 4.13Å; M1405-L1425 HydrophobicContact CE-CD2 3.78Å; L1425-T1458 PolarHBondContact N-O 2.81Å; L1425-V1460 HydrophobicContact CB-CG2 4.36Å; L1425-A1463 HydrophobicContact CD2-CB 3.76Å |
| 1426 | I | 91.4 | Very high | 90.7 | Very high | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 137.4 | 176.3 | -69.8 | 168.9 | 0 | 0 | 0 | 108.5 | Y1382 L1383 W1384 Q1385 E1431 P1432 F1435 L1457 | Y1382-I1426 HydrophobicContact CD1-CD1 3.15Å; Y1382-I1426 HydrophobicContact CD1-CG1 4.03Å; Y1382-I1426 HydrophobicContact CE1-CD1 3.61Å; Y1382-I1426 HydrophobicContact CG-CD1 3.82Å; L1383-I1426 PolarHBondContact O-N 2.98Å; W1384-I1426 WeakPolarHBondContact CA-O 3.39Å; Q1385-I1426 PolarHBondContact N-O 2.63Å; I1426-E1431 HydrophobicContact CG2-CG 4.09Å; I1426-P1432 HydrophobicContact CD1-CG 3.98Å; I1426-F1435 HydrophobicContact CD1-CB 4.35Å; I1426-F1435 HydrophobicContact CD1-CD2 3.87Å; I1426-F1435 HydrophobicContact CD1-CE2 4.49Å; I1426-F1435 HydrophobicContact CD1-CG 4.28Å; I1426-L1457 HydrophobicContact CG1-CD2 4.09Å |
| 1427 | D | 88.9 | Confident | 91 | Very high | 44 Ų | 44 | 47.2 Ų | 47.2 | 24% | 0.235 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 147.1 | 164.6 | -51.7 | -35.3 | 0 | 0 | 0 | 109.4 | Q1385 G1429 A1430 K1455 | Q1385-D1427 PolarHBondContact NE2-OD1 3.17Å; D1427-G1429 PolarHBondContact O-N 3.41Å; D1427-A1430 HydrophobicContact CB-CB 4.44Å; D1427-A1430 WeakPolarHBondContact O-CB 3.37Å; D1427-A1430 PolarHBondContact O-N 2.98Å; D1427-K1455 WeakPolarHBondContact OD2-CD 3.35Å; D1427-K1455 WeakPolarHBondContact OD2-CE 3.47Å; D1427-K1455 IonicContact OD2-NZ 2.88Å; D1427-K1455 PolarHBondContact OD2-NZ 2.92Å |
| 1428 | E | 88.8 | Confident | 91.2 | Very high | 55 Ų | 55 | 42.3 Ų | 42.3 | 26% | 0.257 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -40.4 | 130.7 | 161.9 | -179.9 | 179.2 | -179.9 | 0 | 0 | 111.8 | W1384 Q1385 S1386 C1387 A1430 E1431 | W1384-E1428 HydrophobicContact CH2-CB 4.47Å; W1384-E1428 HydrophobicContact CZ2-CB 3.8Å; W1384-E1428 HydrophobicContact CZ2-CG 4.01Å; Q1385-E1428 PolarHBondContact O-N 3.48Å; S1386-E1428 VanDerWaalsContact CA-OE2 3.25Å; S1386-E1428 WeakPolarHBondContact CA-OE2 3.34Å; S1386-E1428 WeakPolarHBondContact CB-OE2 3.24Å; C1387-E1428 PolarHBondContact N-OE2 3.16Å; E1428-A1430 VanDerWaalsContact C-N 3.27Å; E1428-A1430 PolarHBondContact O-N 2.93Å; E1428-E1431 WeakPolarHBondContact CA-OE1 3.09Å |
| 1429 | G | 84.2 | Confident | 91.5 | Very high | 53 Ų | 53 | 32.6 Ų | 32.6 | 55% | 0.546 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | -7.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | D1427 E1431 | D1427-G1429 PolarHBondContact O-N 3.41Å; G1429-E1431 VanDerWaalsContact CA-OE2 3.23Å; G1429-E1431 WeakPolarHBondContact CA-OE2 3.45Å; G1429-E1431 PolarHBondContact N-OE1 2.94Å; G1429-E1431 VanDerWaalsContact N-OE1 3.08Å; G1429-E1431 PolarHBondContact N-OE2 3.03Å; G1429-E1431 VanDerWaalsContact N-OE2 3.11Å |
| 1430 | A | 86 | Confident | 91.7 | Very high | 25 Ų | 25 | 26.4 Ų | 26.4 | 21% | 0.207 | 16% | 0.16 | C | C | . | . | trans | -112.2 | 24.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D1427 E1428 K1455 | D1427-A1430 HydrophobicContact CB-CB 4.44Å; D1427-A1430 WeakPolarHBondContact O-CB 3.37Å; D1427-A1430 PolarHBondContact O-N 2.98Å; E1428-A1430 VanDerWaalsContact C-N 3.27Å; E1428-A1430 PolarHBondContact O-N 2.93Å; A1430-K1455 HydrophobicContact CB-CD 4.19Å | ||
| 1431 | E | 91 | Very high | 91.7 | Very high | 22 Ų | 22 | 24.7 Ų | 24.7 | 10% | 0.103 | 15% | 0.15 | C | C | . | . | trans | -69.2 | 133.4 | -177.1 | -59.8 | 77.8 | -173.9 | 0 | 0 | 112.9 | W1384 I1426 E1428 G1429 F1435 T1436 W1442 | W1384-E1431 PolarHBondContact NE1-OE1 2.89Å; I1426-E1431 HydrophobicContact CG2-CG 4.09Å; E1428-E1431 WeakPolarHBondContact CA-OE1 3.09Å; G1429-E1431 VanDerWaalsContact CA-OE2 3.23Å; G1429-E1431 WeakPolarHBondContact CA-OE2 3.45Å; G1429-E1431 PolarHBondContact N-OE1 2.94Å; G1429-E1431 VanDerWaalsContact N-OE1 3.08Å; G1429-E1431 PolarHBondContact N-OE2 3.03Å; G1429-E1431 VanDerWaalsContact N-OE2 3.11Å; E1431-F1435 HydrophobicContact CB-CB 4.41Å; E1431-F1435 HydrophobicContact CB-CD1 3.82Å; E1431-F1435 HydrophobicContact CB-CE1 4.46Å; E1431-F1435 HydrophobicContact CB-CG 4.33Å; E1431-F1435 HydrophobicContact CG-CD1 3.58Å; E1431-F1435 HydrophobicContact CG-CE1 3.71Å; E1431-F1435 HydrophobicContact CG-CG 4.34Å; E1431-T1436 HydrophobicContact CB-CG2 3.64Å; E1431-W1442 HydrophobicContact CB-CZ2 4.43Å; E1431-W1442 HydrophobicContact CG-CH2 4.13Å; E1431-W1442 HydrophobicContact CG-CZ2 3.73Å | ||
| 1432 | P | 91 | Very high | 91.8 | Very high | 20 Ų | 20 | 25.9 Ų | 25.9 | 13% | 0.13 | 15% | 0.152 | C | C | . | . | trans | -77.4 | 158.8 | 170.4 | 33.9 | -34.3 | 0 | 0 | 0 | 111.2 | Y1382 I1426 T1434 F1435 T1436 L1457 | Y1382-P1432 HydrophobicContact CE1-CG 3.94Å; I1426-P1432 HydrophobicContact CD1-CG 3.98Å; P1432-T1434 PolarHBondContact O-N 2.94Å; P1432-T1434 VanDerWaalsContact O-N 3.12Å; P1432-F1435 HydrophobicContact CG-CB 3.97Å; P1432-F1435 WeakPolarHBondContact O-CA 3.25Å; P1432-F1435 VanDerWaalsContact O-CB 3.31Å; P1432-F1435 WeakPolarHBondContact O-CB 3.03Å; P1432-F1435 PolarHBondContact O-N 2.65Å; P1432-T1436 PolarHBondContact O-N 2.75Å; P1432-L1457 HydrophobicContact CB-CD1 4.31Å; P1432-L1457 HydrophobicContact CB-CD2 4.44Å; P1432-L1457 HydrophobicContact CG-CD1 4.41Å; P1432-L1457 HydrophobicContact CG-CD2 4.09Å | ||
| 1433 | L | 90.9 | Very high | 91.4 | Very high | 49 Ų | 49 | 24.5 Ų | 24.5 | 26% | 0.257 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -56.8 | -31.8 | 179.3 | -64 | 171.6 | 0 | 0 | 0 | 113.5 | K1311 D1314 F1435 T1436 N1437 | K1311-L1433 WeakPolarHBondContact O-CD1 3.38Å; D1314-L1433 HydrophobicContact CB-CB 4.17Å; L1433-F1435 PolarHBondContact O-N 3.26Å; L1433-T1436 WeakPolarHBondContact CA-OG1 3.37Å; L1433-T1436 PolarHBondContact O-N 3.37Å; L1433-T1436 PolarHBondContact O-OG1 2.87Å; L1433-N1437 WeakPolarHBondContact O-CB 3.43Å; L1433-N1437 PolarHBondContact O-N 2.87Å |
| 1434 | T | 91.8 | Very high | 90.4 | Very high | 35 Ų | 35 | 31.6 Ų | 31.6 | 22% | 0.215 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.8 | -20.4 | 174.3 | 41.7 | 0 | 0 | 0 | 0 | 113.9 | N1377 E1380 Y1382 P1432 | N1377-T1434 PolarHBondContact ND2-O 2.94Å; N1377-T1434 VanDerWaalsContact ND2-O 3.11Å; E1380-T1434 WeakPolarHBondContact OE1-CB 3.3Å; Y1382-T1434 PolarHBondContact OH-OG1 3.14Å; P1432-T1434 PolarHBondContact O-N 2.94Å; P1432-T1434 VanDerWaalsContact O-N 3.12Å |
| 1435 | F | 93.7 | Very high | 88.7 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 0% | 0.004 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -88.5 | -54.8 | 168.7 | -176.7 | -80.6 | 0 | 0 | 0 | 110.1 | L1364 L1375 Y1382 W1384 I1426 E1431 P1432 L1433 N1437 I1438 F1439 W1442 | L1364-F1435 HydrophobicContact CD1-CE1 4.34Å; L1364-F1435 HydrophobicContact CD1-CZ 4.37Å; L1375-F1435 HydrophobicContact CB-CE2 4.36Å; L1375-F1435 HydrophobicContact CD2-CD2 3.54Å; L1375-F1435 HydrophobicContact CD2-CE2 3.61Å; L1375-F1435 HydrophobicContact CD2-CG 4.23Å; L1375-F1435 HydrophobicContact CD2-CZ 4.35Å; Y1382-F1435 HydrophobicContact CD1-CD2 4.49Å; Y1382-F1435 HydrophobicContact CD2-CB 4.48Å; Y1382-F1435 AromaticContact CD2-CD2 3.87Å; Y1382-F1435 HydrophobicContact CD2-CD2 3.87Å; Y1382-F1435 HydrophobicContact CE2-CB 4.36Å; Y1382-F1435 AromaticContact CG-CD2 3.82Å; Y1382-F1435 HydrophobicContact CG-CD2 3.82Å; W1384-F1435 HydrophobicContact CB-CE2 3.99Å; W1384-F1435 HydrophobicContact CB-CZ 3.98Å; W1384-F1435 AromaticContact CD1-CZ 3.53Å; W1384-F1435 HydrophobicContact CG-CE2 4.32Å; W1384-F1435 AromaticContact CG-CZ 3.87Å; W1384-F1435 HydrophobicContact CG-CZ 3.87Å; I1426-F1435 HydrophobicContact CD1-CB 4.35Å; I1426-F1435 HydrophobicContact CD1-CD2 3.87Å; I1426-F1435 HydrophobicContact CD1-CE2 4.49Å; I1426-F1435 HydrophobicContact CD1-CG 4.28Å; E1431-F1435 HydrophobicContact CB-CB 4.41Å; E1431-F1435 HydrophobicContact CB-CD1 3.82Å; E1431-F1435 HydrophobicContact CB-CE1 4.46Å; E1431-F1435 HydrophobicContact CB-CG 4.33Å; E1431-F1435 HydrophobicContact CG-CD1 3.58Å; E1431-F1435 HydrophobicContact CG-CE1 3.71Å; E1431-F1435 HydrophobicContact CG-CG 4.34Å; P1432-F1435 HydrophobicContact CG-CB 3.97Å; P1432-F1435 WeakPolarHBondContact O-CA 3.25Å; P1432-F1435 VanDerWaalsContact O-CB 3.31Å; P1432-F1435 WeakPolarHBondContact O-CB 3.03Å; P1432-F1435 PolarHBondContact O-N 2.65Å; L1433-F1435 PolarHBondContact O-N 3.26Å; F1435-N1437 VanDerWaalsContact C-N 3.26Å; F1435-N1437 PolarHBondContact O-N 3.2Å; F1435-I1438 WeakPolarHBondContact O-CG1 3.47Å; F1435-I1438 PolarHBondContact O-N 3.21Å; F1435-F1439 AromaticContact CD1-CE2 4Å; F1435-F1439 HydrophobicContact CD1-CE2 4Å; F1435-F1439 AromaticContact CE1-CE2 3.7Å; F1435-F1439 HydrophobicContact CE1-CE2 3.7Å; F1435-F1439 HydrophobicContact CE1-CZ 4.27Å; F1435-F1439 HydrophobicContact CZ-CE2 4.34Å; F1435-W1442 HydrophobicContact CD1-CH2 4.33Å; F1435-W1442 HydrophobicContact CD1-CZ3 4.47Å; F1435-W1442 AromaticContact CE1-CH2 3.77Å; F1435-W1442 HydrophobicContact CE1-CH2 3.77Å; F1435-W1442 HydrophobicContact CE1-CZ3 4.04Å |
| 1436 | T | 94.4 | Very high | 86.2 | Confident | 12 Ų | 12 | 43 Ų | 43 | 7% | 0.074 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.7 | -30.1 | -174.2 | 64.4 | 0 | 0 | 0 | 0 | 113.2 | E1431 P1432 L1433 I1438 F1439 W1442 | E1431-T1436 HydrophobicContact CB-CG2 3.64Å; P1432-T1436 PolarHBondContact O-N 2.75Å; L1433-T1436 WeakPolarHBondContact CA-OG1 3.37Å; L1433-T1436 PolarHBondContact O-N 3.37Å; L1433-T1436 PolarHBondContact O-OG1 2.87Å; T1436-I1438 VanDerWaalsContact C-N 3.29Å; T1436-I1438 PolarHBondContact O-N 3.18Å; T1436-F1439 PolarHBondContact O-N 3.12Å; T1436-W1442 HydrophobicContact CG2-CD2 3.72Å; T1436-W1442 HydrophobicContact CG2-CE3 4.37Å; T1436-W1442 HydrophobicContact CG2-CG 3.78Å; T1436-W1442 HydrophobicContact CG2-CZ2 4.39Å |
| 1437 | N | 94.5 | Very high | 83.9 | Confident | 11 Ų | 11 | 46.3 Ų | 46.3 | 6% | 0.059 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 5.3 | -178.9 | -76.4 | 22.6 | 0 | 0 | 0 | 115.2 | L1232 R1233 D1314 L1433 F1435 F1439 | L1232-N1437 PolarHBondContact O-ND2 3Å; R1233-N1437 PolarHBondContact NH1-OD1 3.07Å; D1314-N1437 HydrophobicContact CB-CB 4Å; D1314-N1437 PolarHBondContact N-ND2 2.86Å; L1433-N1437 WeakPolarHBondContact O-CB 3.43Å; L1433-N1437 PolarHBondContact O-N 2.87Å; F1435-N1437 VanDerWaalsContact C-N 3.26Å; F1435-N1437 PolarHBondContact O-N 3.2Å; N1437-F1439 VanDerWaalsContact C-N 3.29Å |
| 1438 | I | 94.1 | Very high | 81.5 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.015 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -6.2 | 161.8 | 72.9 | 110.2 | 0 | 0 | 0 | 112.5 | P1327 M1357 F1359 L1375 F1435 T1436 | P1327-I1438 HydrophobicContact CG-CB 4.35Å; P1327-I1438 HydrophobicContact CG-CG2 4.27Å; M1357-I1438 VanDerWaalsContact CA-O 3.23Å; M1357-I1438 WeakPolarHBondContact CA-O 3.39Å; M1357-I1438 WeakPolarHBondContact CB-O 3.27Å; F1359-I1438 HydrophobicContact CD2-CD1 4.16Å; L1375-I1438 HydrophobicContact CD1-CD1 3.69Å; L1375-I1438 HydrophobicContact CD1-CG1 4.46Å; L1375-I1438 HydrophobicContact CD2-CD1 3.9Å; L1375-I1438 HydrophobicContact CD2-CG1 3.93Å; L1375-I1438 HydrophobicContact CG-CD1 4.47Å; F1435-I1438 WeakPolarHBondContact O-CG1 3.47Å; F1435-I1438 PolarHBondContact O-N 3.21Å; T1436-I1438 VanDerWaalsContact C-N 3.29Å; T1436-I1438 PolarHBondContact O-N 3.18Å |
| 1439 | F | 94.8 | Very high | 79.1 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -102.4 | 142.8 | 173.8 | -57.9 | -89.3 | 0 | 0 | 0 | 110.2 | R1233 F1359 L1360 L1364 F1435 T1436 N1437 S1441 W1442 | R1233-F1439 PolarHBondContact NE-O 3.23Å; R1233-F1439 PolarHBondContact NH2-O 2.87Å; F1359-F1439 HydrophobicContact CB-CD1 4.2Å; F1359-F1439 HydrophobicContact CB-CE1 3.94Å; F1359-F1439 WeakPolarHBondContact O-CD1 3.42Å; L1360-F1439 VanDerWaalsContact C-CD1 3.48Å; L1364-F1439 HydrophobicContact CD1-CZ 4.18Å; F1435-F1439 AromaticContact CD1-CE2 4Å; F1435-F1439 HydrophobicContact CD1-CE2 4Å; F1435-F1439 AromaticContact CE1-CE2 3.7Å; F1435-F1439 HydrophobicContact CE1-CE2 3.7Å; F1435-F1439 HydrophobicContact CE1-CZ 4.27Å; F1435-F1439 HydrophobicContact CZ-CE2 4.34Å; T1436-F1439 PolarHBondContact O-N 3.12Å; N1437-F1439 VanDerWaalsContact C-N 3.29Å; F1439-S1441 VanDerWaalsContact C-N 3.26Å; F1439-S1441 VanDerWaalsContact CB-O 3.22Å; F1439-S1441 WeakPolarHBondContact CB-O 3.33Å; F1439-S1441 PolarHBondContact O-N 2.82Å; F1439-W1442 HydrophobicContact CB-CE3 4.24Å; F1439-W1442 HydrophobicContact CD1-CZ3 4.5Å; F1439-W1442 AromaticContact CD2-CE3 3.58Å; F1439-W1442 HydrophobicContact CD2-CE3 3.58Å; F1439-W1442 AromaticContact CD2-CZ3 3.54Å; F1439-W1442 HydrophobicContact CD2-CZ3 3.54Å; F1439-W1442 HydrophobicContact CE1-CZ3 4.47Å; F1439-W1442 HydrophobicContact CE2-CE3 4.08Å; F1439-W1442 HydrophobicContact CE2-CH2 4.5Å; F1439-W1442 AromaticContact CE2-CZ3 3.53Å; F1439-W1442 HydrophobicContact CE2-CZ3 3.53Å; F1439-W1442 AromaticContact CG-CE3 3.93Å; F1439-W1442 HydrophobicContact CG-CE3 3.93Å; F1439-W1442 HydrophobicContact CG-CZ3 4.06Å; F1439-W1442 HydrophobicContact CZ-CZ3 4.02Å |
| 1440 | P | 93.4 | Very high | 76.7 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -57.3 | -37.8 | -179 | -25.7 | 34 | 0 | 0 | 0 | 113.8 | C1211 R1213 L1223 M1357 F1359 L1360 | C1211-P1440 HydrophobicContact CB-CB 4.44Å; R1213-P1440 HydrophobicContact CG-CG 4.5Å; L1223-P1440 HydrophobicContact CD2-CB 4.08Å; M1357-P1440 HydrophobicContact CB-CG 4.01Å; F1359-P1440 WeakPolarHBondContact O-CD 3.41Å; L1360-P1440 HydrophobicContact CD2-CG 3.96Å |
| 1441 | S | 90.4 | Very high | 74.2 | Confident | 29 Ų | 29 | 62.9 Ų | 62.9 | 20% | 0.203 | 34% | 0.342 | C | S | . | . | trans | -132.1 | 163 | 173.1 | 48.2 | 0 | 0 | 0 | 0 | 108.4 | F1439 | F1439-S1441 VanDerWaalsContact C-N 3.26Å; F1439-S1441 VanDerWaalsContact CB-O 3.22Å; F1439-S1441 WeakPolarHBondContact CB-O 3.33Å; F1439-S1441 PolarHBondContact O-N 2.82Å | ||
| 1442 | W | 91.4 | Very high | 71.6 | Confident | 44 Ų | 44 | 67.6 Ų | 67.6 | 17% | 0.167 | 37% | 0.372 | C | S | . | . | trans | -146.4 | 128.4 | 167.9 | -171.7 | -90 | 0 | 0 | 0 | 108.7 | Q1361 L1364 E1431 F1435 T1436 F1439 | Q1361-W1442 HydrophobicContact CB-CE3 3.96Å; Q1361-W1442 HydrophobicContact CB-CZ3 3.96Å; Q1361-W1442 HydrophobicContact CG-CD2 4.38Å; Q1361-W1442 HydrophobicContact CG-CE3 3.87Å; Q1361-W1442 HydrophobicContact CG-CH2 3.99Å; Q1361-W1442 HydrophobicContact CG-CZ2 4.47Å; Q1361-W1442 HydrophobicContact CG-CZ3 3.66Å; Q1361-W1442 VanDerWaalsContact OE1-CA 3.31Å; L1364-W1442 HydrophobicContact CD1-CH2 3.79Å; L1364-W1442 HydrophobicContact CD1-CZ3 4.09Å; E1431-W1442 HydrophobicContact CB-CZ2 4.43Å; E1431-W1442 HydrophobicContact CG-CH2 4.13Å; E1431-W1442 HydrophobicContact CG-CZ2 3.73Å; F1435-W1442 HydrophobicContact CD1-CH2 4.33Å; F1435-W1442 HydrophobicContact CD1-CZ3 4.47Å; F1435-W1442 AromaticContact CE1-CH2 3.77Å; F1435-W1442 HydrophobicContact CE1-CH2 3.77Å; F1435-W1442 HydrophobicContact CE1-CZ3 4.04Å; T1436-W1442 HydrophobicContact CG2-CD2 3.72Å; T1436-W1442 HydrophobicContact CG2-CE3 4.37Å; T1436-W1442 HydrophobicContact CG2-CG 3.78Å; T1436-W1442 HydrophobicContact CG2-CZ2 4.39Å; F1439-W1442 HydrophobicContact CB-CE3 4.24Å; F1439-W1442 HydrophobicContact CD1-CZ3 4.5Å; F1439-W1442 AromaticContact CD2-CE3 3.58Å; F1439-W1442 HydrophobicContact CD2-CE3 3.58Å; F1439-W1442 AromaticContact CD2-CZ3 3.54Å; F1439-W1442 HydrophobicContact CD2-CZ3 3.54Å; F1439-W1442 HydrophobicContact CE1-CZ3 4.47Å; F1439-W1442 HydrophobicContact CE2-CE3 4.08Å; F1439-W1442 HydrophobicContact CE2-CH2 4.5Å; F1439-W1442 AromaticContact CE2-CZ3 3.53Å; F1439-W1442 HydrophobicContact CE2-CZ3 3.53Å; F1439-W1442 AromaticContact CG-CE3 3.93Å; F1439-W1442 HydrophobicContact CG-CE3 3.93Å; F1439-W1442 HydrophobicContact CG-CZ3 4.06Å; F1439-W1442 HydrophobicContact CZ-CZ3 4.02Å | ||
| 1443 | E | 84.4 | Confident | 69.1 | Low | 55 Ų | 55 | 72.5 Ų | 72.5 | 26% | 0.257 | 40% | 0.402 | S | S | . | . | trans | -114.8 | 128.7 | -175.5 | -61.1 | -172.6 | 123.9 | 0 | 0 | 109.3 | R1153 R1197 Q1361 | R1153-E1443 IonicContact CZ-OE2 3.33Å; R1153-E1443 VanDerWaalsContact CZ-OE2 3.29Å; R1153-E1443 IonicContact NH1-OE1 3.49Å; R1153-E1443 IonicContact NH1-OE2 3.61Å; R1153-E1443 PolarHBondContact NH1-OE2 2.99Å; R1153-E1443 IonicContact NH2-OE2 3.62Å; R1153-E1443 PolarHBondContact NH2-OE2 3.15Å; R1197-E1443 IonicContact CZ-OE1 3.39Å; R1197-E1443 IonicContact NH1-OE1 2.7Å; R1197-E1443 IonicContact NH2-OE1 2.76Å; R1197-E1443 PolarHBondContact NH2-OE1 2.81Å; Q1361-E1443 PolarHBondContact NE2-O 3.15Å | ||
| 1444 | M | 73.9 | Confident | 66.9 | Low | 158 Ų | 158 | 76.5 Ų | 76.5 | 78% | 0.778 | 41% | 0.413 | S | S | * | . | trans | -86.4 | 127.2 | 177.5 | -71.8 | 177.9 | 169.5 | 0 | 0 | 110.1 | Q1446 | M1444-Q1446 PolarHBondContact O-N 3.35Š| ||
| 1445 | T | 60.4 | Low | 65.1 | Low | 87 Ų | 87 | 80.3 Ų | 80.3 | 53% | 0.534 | 43% | 0.427 | S | S | . | . | trans | -65.6 | 118.4 | -179.2 | -28.2 | 0 | 0 | 0 | 0 | 110.4 | G1447 | T1445-G1447 PolarHBondContact O-N 3.14Š| ||
| 1446 | Q | 41.3 | Very low | 63.8 | Low | 197 Ų | 197 | 89 Ų | 89 | 92% | 0.921 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 109.3 | 178.8 | -69.1 | -174.5 | -3.8 | 0 | 0 | 110.2 | M1444 | M1444-Q1446 PolarHBondContact O-N 3.35Š|
| 1447 | G | 42.3 | Very low | 63.2 | Low | 73 Ų | 73 | 91 Ų | 91 | 75% | 0.753 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 165.4 | -18.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116 | T1445 | T1445-G1447 PolarHBondContact O-N 3.14Š|
| 1448 | E | 39.4 | Very low | 62.9 | Low | 116 Ų | 116 | 93.5 Ų | 93.5 | 54% | 0.542 | 49% | 0.49 | S | S | . | . | trans | -116.4 | 26.4 | -169.7 | -59.5 | -157.5 | 136 | 0 | 0 | 116 | D1450 C1451 | E1448-D1450 PolarHBondContact O-N 2.86Å; E1448-D1450 VanDerWaalsContact O-N 3.16Å; E1448-C1451 HydrophobicContact CB-CB 4.16Å; E1448-C1451 WeakPolarHBondContact O-CB 3.25Å; E1448-C1451 PolarHBondContact O-N 3.41Å | ||
| 1449 | E | 37.4 | Very low | 62.9 | Low | 170 Ų | 170 | 96.3 Ų | 96.3 | 79% | 0.794 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -60.3 | -26.6 | 177.9 | -65.1 | -161.3 | 137.1 | 0 | 0 | 113.6 | C1451 T1452 | E1449-C1451 VanDerWaalsContact C-N 3.28Å; E1449-C1451 PolarHBondContact O-N 3.24Å; E1449-T1452 VanDerWaalsContact O-CG2 3.32Å; E1449-T1452 WeakPolarHBondContact O-CG2 3.21Å; E1449-T1452 PolarHBondContact O-OG1 2.84Å |
| 1450 | D | 34.7 | Very low | 62.8 | Low | 167 Ų | 167 | 96.3 Ų | 96.3 | 89% | 0.893 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -75.2 | -9.4 | 172.8 | -99.6 | -20.1 | 0 | 0 | 0 | 113.7 | E1448 T1452 | E1448-D1450 PolarHBondContact O-N 2.86Å; E1448-D1450 VanDerWaalsContact O-N 3.16Å; D1450-T1452 PolarHBondContact O-N 3.45Å |
| 1451 | C | 33.3 | Very low | 62.7 | Low | 71 Ų | 71 | 101 Ų | 101 | 48% | 0.48 | 53% | 0.527 | S | S | . | . | G | 310 helix | trans | -88.3 | 24.9 | 178.7 | -157.1 | 0 | 0 | 0 | 0 | 113.5 | E1448 E1449 V1453 | E1448-C1451 HydrophobicContact CB-CB 4.16Å; E1448-C1451 WeakPolarHBondContact O-CB 3.25Å; E1448-C1451 PolarHBondContact O-N 3.41Å; E1449-C1451 VanDerWaalsContact C-N 3.28Å; E1449-C1451 PolarHBondContact O-N 3.24Å; C1451-V1453 PolarHBondContact O-N 2.69Å |
| 1452 | T | 35.2 | Very low | 62.8 | Low | 121 Ų | 121 | 104 Ų | 104 | 74% | 0.742 | 54% | 0.541 | S | S | * | . | trans | -68.6 | 8.5 | -176.9 | 36.7 | 0 | 0 | 0 | 0 | 115.6 | E1449 D1450 R1454 | E1449-T1452 VanDerWaalsContact O-CG2 3.32Å; E1449-T1452 WeakPolarHBondContact O-CG2 3.21Å; E1449-T1452 PolarHBondContact O-OG1 2.84Å; D1450-T1452 PolarHBondContact O-N 3.45Å; T1452-R1454 PolarHBondContact O-N 3.41Å | ||
| 1453 | V | 39.3 | Very low | 62.7 | Low | 123 Ų | 123 | 102.4 Ų | 102.4 | 75% | 0.745 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -76.9 | 88.7 | 169.1 | -175.5 | 0 | 0 | 0 | 0 | 109.6 | C1451 K1455 | C1451-V1453 PolarHBondContact O-N 2.69Å; V1453-K1455 PolarHBondContact O-N 3.13Å |
| 1454 | R | 44.6 | Very low | 63 | Low | 134 Ų | 134 | 100.4 Ų | 100.4 | 51% | 0.506 | 53% | 0.528 | S | S | . | . | trans | -40.4 | 99.6 | 178.3 | -67.7 | 178 | -180 | 169.4 | -2.5 | 113 | C577 T1452 K1456 | C577-R1454 PolarHBondContact O-NH2 3.22Å; T1452-R1454 PolarHBondContact O-N 3.41Å; R1454-K1456 PolarHBondContact O-N 3.34Å | ||
| 1455 | K | 54.7 | Low | 63.6 | Low | 115 Ų | 115 | 95.6 Ų | 95.6 | 50% | 0.5 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -62 | 126.7 | 168.6 | -70.2 | 179.8 | -177.8 | 172.8 | 0 | 108.6 | D1427 A1430 V1453 | D1427-K1455 WeakPolarHBondContact OD2-CD 3.35Å; D1427-K1455 WeakPolarHBondContact OD2-CE 3.47Å; D1427-K1455 IonicContact OD2-NZ 2.88Å; D1427-K1455 PolarHBondContact OD2-NZ 2.92Å; A1430-K1455 HydrophobicContact CB-CD 4.19Å; V1453-K1455 PolarHBondContact O-N 3.13Å |
| 1456 | K | 66.6 | Low | 64.7 | Low | 184 Ų | 184 | 93.7 Ų | 93.7 | 80% | 0.8 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -72.7 | 128 | 173.6 | -178.8 | -175 | 174.6 | -170.7 | 0 | 108.5 | R1454 T1458 | R1454-K1456 PolarHBondContact O-N 3.34Å; K1456-T1458 PolarHBondContact O-N 3.02Å; K1456-T1458 VanDerWaalsContact O-N 3.09Å; K1456-T1458 PolarHBondContact O-OG1 2.95Å |
| 1457 | L | 80.6 | Confident | 66.5 | Low | 53 Ų | 53 | 85.2 Ų | 85.2 | 28% | 0.277 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -48.1 | 119.7 | 173 | -71.1 | 175.9 | 0 | 0 | 0 | 110.1 | Y1424 I1426 P1432 | Y1424-L1457 HydrophobicContact CD1-CB 4.1Å; I1426-L1457 HydrophobicContact CG1-CD2 4.09Å; P1432-L1457 HydrophobicContact CB-CD1 4.31Å; P1432-L1457 HydrophobicContact CB-CD2 4.44Å; P1432-L1457 HydrophobicContact CG-CD1 4.41Å; P1432-L1457 HydrophobicContact CG-CD2 4.09Å |
| 1458 | T | 88.6 | Confident | 68.4 | Low | 64 Ų | 64 | 84.8 Ų | 84.8 | 39% | 0.393 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 134.3 | -173.7 | -67.6 | 0 | 0 | 0 | 0 | 109.3 | Y1424 L1425 K1456 A1463 | Y1424-T1458 CarbonylContact C-O 3.54Å; Y1424-T1458 WeakPolarHBondContact CA-O 3.22Å; L1425-T1458 PolarHBondContact N-O 2.81Å; K1456-T1458 PolarHBondContact O-N 3.02Å; K1456-T1458 VanDerWaalsContact O-N 3.09Å; K1456-T1458 PolarHBondContact O-OG1 2.95Å; T1458-A1463 HydrophobicContact CG2-CB 3.97Å |
| 1459 | L | 93.6 | Very high | 70.3 | Confident | 61 Ų | 61 | 83.5 Ų | 83.5 | 32% | 0.319 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 137 | 175.2 | -63.9 | 176.8 | 0 | 0 | 0 | 109.5 | I1422 Y1424 Q1461 D1462 A1463 | I1422-L1459 HydrophobicContact CG2-CD2 3.45Å; I1422-L1459 VanDerWaalsContact CG2-CD2 3.45Å; Y1424-L1459 HydrophobicContact CD1-CD2 3.79Å; Y1424-L1459 HydrophobicContact CE1-CD2 3.59Å; L1459-Q1461 PolarHBondContact O-N 3.06Å; L1459-Q1461 VanDerWaalsContact O-N 3.14Å; L1459-D1462 HydrophobicContact CB-CB 4.21Å; L1459-D1462 PolarHBondContact O-N 3.05Å; L1459-A1463 PolarHBondContact O-N 3.23Å |
| 1460 | V | 93.1 | Very high | 72.2 | Confident | 0 Ų | 0 | 80.3 Ų | 80.3 | 0% | 0 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -55.4 | -33.7 | 173.5 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | L1383 M1405 A1408 L1409 A1423 L1425 D1462 L1464 | L1383-V1460 HydrophobicContact CB-CG2 4.17Å; M1405-V1460 HydrophobicContact CB-CG1 3.61Å; M1405-V1460 HydrophobicContact CG-CG1 3.85Å; M1405-V1460 WeakPolarHBondContact O-CG1 3.5Å; A1408-V1460 HydrophobicContact CB-CG1 4.44Å; L1409-V1460 HydrophobicContact CD1-CG1 4.14Å; L1409-V1460 HydrophobicContact CD2-CB 4.31Å; L1409-V1460 HydrophobicContact CD2-CG1 4.16Å; L1409-V1460 HydrophobicContact CG-CB 4.46Å; L1409-V1460 HydrophobicContact CG-CG1 3.77Å; A1423-V1460 HydrophobicContact CB-CB 3.87Å; A1423-V1460 HydrophobicContact CB-CG2 3.79Å; A1423-V1460 PolarHBondContact O-N 2.79Å; L1425-V1460 HydrophobicContact CB-CG2 4.36Å; V1460-D1462 VanDerWaalsContact C-N 3.33Å; V1460-D1462 PolarHBondContact O-N 2.94Å; V1460-L1464 WeakPolarHBondContact O-CB 3.43Å; V1460-L1464 PolarHBondContact O-N 2.85Å |
| 1461 | Q | 92.5 | Very high | 74.5 | Confident | 99 Ų | 99 | 77.7 Ų | 77.7 | 46% | 0.463 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.5 | -31.8 | 176.1 | -175.2 | 58 | 91.5 | 0 | 0 | 113.3 | L1409 L1459 A1465 | L1409-Q1461 HydrophobicContact CD1-CB 4.41Å; L1409-Q1461 HydrophobicContact CD2-CB 4.18Å; L1459-Q1461 PolarHBondContact O-N 3.06Å; L1459-Q1461 VanDerWaalsContact O-N 3.14Å; Q1461-A1465 WeakPolarHBondContact O-CB 3.49Å; Q1461-A1465 PolarHBondContact O-N 2.91Å; Q1461-A1465 VanDerWaalsContact O-N 3.14Å |
| 1462 | D | 91.3 | Very high | 76.8 | Confident | 93 Ų | 93 | 75 Ų | 75 | 50% | 0.497 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -84.1 | -42.2 | -179.1 | -62.3 | -14.3 | 0 | 0 | 0 | 110.6 | L1459 V1460 A1465 A1466 | L1459-D1462 HydrophobicContact CB-CB 4.21Å; L1459-D1462 PolarHBondContact O-N 3.05Å; V1460-D1462 VanDerWaalsContact C-N 3.33Å; V1460-D1462 PolarHBondContact O-N 2.94Å; D1462-A1465 WeakPolarHBondContact O-CB 3.44Å; D1462-A1465 PolarHBondContact O-N 3.02Å; D1462-A1465 VanDerWaalsContact O-N 3.14Å; D1462-A1466 PolarHBondContact O-N 2.85Å |
| 1463 | A | 88.9 | Confident | 79.2 | Confident | 9 Ų | 9 | 72 Ų | 72 | 7% | 0.074 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.5 | -45.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | M1405 L1425 T1458 L1459 A1465 A1466 L1467 | M1405-A1463 HydrophobicContact CE-CB 3.96Å; M1405-A1463 HydrophobicContact SD-CB 3.81Å; L1425-A1463 HydrophobicContact CD2-CB 3.76Å; T1458-A1463 HydrophobicContact CG2-CB 3.97Å; L1459-A1463 PolarHBondContact O-N 3.23Å; A1463-A1465 VanDerWaalsContact C-N 3.28Å; A1463-A1465 PolarHBondContact O-N 3.02Å; A1463-A1466 WeakPolarHBondContact O-CB 3.3Å; A1463-A1466 PolarHBondContact O-N 3.21Å; A1463-A1466 VanDerWaalsContact O-N 3.14Å; A1463-L1467 PolarHBondContact O-N 3.14Å |
| 1464 | L | 90.2 | Very high | 81.3 | Confident | 13 Ų | 13 | 68.6 Ų | 68.6 | 7% | 0.068 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.1 | -30.8 | 175 | -176.2 | 64 | 0 | 0 | 0 | 112.3 | K1402 M1405 E1406 L1409 V1460 N1468 | K1402-L1464 HydrophobicContact CG-CD1 3.9Å; M1405-L1464 HydrophobicContact CB-CB 4.17Å; M1405-L1464 HydrophobicContact CB-CD1 4.06Å; M1405-L1464 HydrophobicContact CB-CD2 4.47Å; M1405-L1464 HydrophobicContact CB-CG 4.46Å; M1405-L1464 HydrophobicContact SD-CB 4.01Å; E1406-L1464 HydrophobicContact CG-CD1 3.93Å; E1406-L1464 HydrophobicContact CG-CD2 3.66Å; E1406-L1464 HydrophobicContact CG-CG 4.45Å; L1409-L1464 HydrophobicContact CD1-CD2 3.54Å; V1460-L1464 WeakPolarHBondContact O-CB 3.43Å; V1460-L1464 PolarHBondContact O-N 2.85Å; L1464-N1468 WeakPolarHBondContact CD1-ND2 3.32Å; L1464-N1468 WeakPolarHBondContact CG-ND2 3.35Å; L1464-N1468 VanDerWaalsContact O-CB 3.3Å; L1464-N1468 WeakPolarHBondContact O-CB 3.15Å; L1464-N1468 PolarHBondContact O-N 3.05Å; L1464-N1468 PolarHBondContact O-ND2 3.43Å |
| 1465 | A | 87.2 | Confident | 83.2 | Confident | 58 Ų | 58 | 69.4 Ų | 69.4 | 48% | 0.479 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -72.2 | -33.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q1461 D1462 A1463 K1469 | Q1461-A1465 WeakPolarHBondContact O-CB 3.49Å; Q1461-A1465 PolarHBondContact O-N 2.91Å; Q1461-A1465 VanDerWaalsContact O-N 3.14Å; D1462-A1465 WeakPolarHBondContact O-CB 3.44Å; D1462-A1465 PolarHBondContact O-N 3.02Å; D1462-A1465 VanDerWaalsContact O-N 3.14Å; A1463-A1465 VanDerWaalsContact C-N 3.28Å; A1463-A1465 PolarHBondContact O-N 3.02Å; A1465-K1469 PolarHBondContact O-N 3.1Å |
| 1466 | A | 83.9 | Confident | 84.6 | Confident | 46 Ų | 46 | 65.8 Ų | 65.8 | 38% | 0.38 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.3 | -49.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | D1462 A1463 N1468 K1469 | D1462-A1466 PolarHBondContact O-N 2.85Å; A1463-A1466 WeakPolarHBondContact O-CB 3.3Å; A1463-A1466 PolarHBondContact O-N 3.21Å; A1463-A1466 VanDerWaalsContact O-N 3.14Å; A1466-N1468 VanDerWaalsContact C-N 3.27Å; A1466-N1468 PolarHBondContact O-N 3.41Å; A1466-K1469 WeakPolarHBondContact O-CB 3.4Å; A1466-K1469 PolarHBondContact O-N 3.21Å |
| 1467 | L | 79.5 | Confident | 85.4 | Confident | 19 Ų | 19 | 57 Ų | 57 | 10% | 0.099 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.3 | -30.1 | 176.7 | -69.9 | 177.9 | 0 | 0 | 0 | 113.4 | M1405 A1463 K1469 E1484 | M1405-L1467 HydrophobicContact CE-CD1 3.6Å; M1405-L1467 HydrophobicContact SD-CD1 3.78Å; A1463-L1467 PolarHBondContact O-N 3.14Å; L1467-K1469 VanDerWaalsContact C-N 3.33Å; L1467-E1484 HydrophobicContact CD2-CB 4.17Å; L1467-E1484 HydrophobicContact CD2-CG 3.69Å |
| 1468 | N | 81.6 | Confident | 85.5 | Confident | 65 Ų | 65 | 58.3 Ų | 58.3 | 35% | 0.348 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 9.9 | 175.3 | -76 | -67.1 | 0 | 0 | 0 | 114 | K1402 L1464 A1466 T1470 | K1402-N1468 WeakPolarHBondContact CE-OD1 3.15Å; K1402-N1468 PolarHBondContact NZ-OD1 2.93Å; L1464-N1468 WeakPolarHBondContact CD1-ND2 3.32Å; L1464-N1468 WeakPolarHBondContact CG-ND2 3.35Å; L1464-N1468 VanDerWaalsContact O-CB 3.3Å; L1464-N1468 WeakPolarHBondContact O-CB 3.15Å; L1464-N1468 PolarHBondContact O-N 3.05Å; L1464-N1468 PolarHBondContact O-ND2 3.43Å; A1466-N1468 VanDerWaalsContact C-N 3.27Å; A1466-N1468 PolarHBondContact O-N 3.41Å; N1468-T1470 PolarHBondContact O-N 3.34Å |
| 1469 | K | 80.2 | Confident | 85.2 | Confident | 88 Ų | 88 | 60.6 Ų | 60.6 | 38% | 0.383 | 32% | 0.323 | S | S | . | . | trans | -71.8 | 101.4 | -179.3 | -176.5 | 173.2 | 166.7 | -170 | 0 | 110.8 | A1465 A1466 L1467 Q1471 F1472 | A1465-K1469 PolarHBondContact O-N 3.1Å; A1466-K1469 WeakPolarHBondContact O-CB 3.4Å; A1466-K1469 PolarHBondContact O-N 3.21Å; L1467-K1469 VanDerWaalsContact C-N 3.33Å; K1469-Q1471 VanDerWaalsContact C-N 3.29Å; K1469-Q1471 WeakPolarHBondContact CE-O 3.32Å; K1469-Q1471 WeakPolarHBondContact CG-O 3.17Å; K1469-Q1471 PolarHBondContact O-N 2.89Å; K1469-F1472 HydrophobicContact CB-CE2 3.96Å; K1469-F1472 HydrophobicContact CB-CZ 3.93Å; K1469-F1472 HydrophobicContact CD-CD1 4.11Å; K1469-F1472 HydrophobicContact CD-CD2 4.48Å; K1469-F1472 HydrophobicContact CD-CE1 3.65Å; K1469-F1472 HydrophobicContact CD-CE2 4.09Å; K1469-F1472 HydrophobicContact CD-CZ 3.66Å; K1469-F1472 HydrophobicContact CG-CD2 4.26Å; K1469-F1472 HydrophobicContact CG-CE1 4.34Å; K1469-F1472 HydrophobicContact CG-CE2 3.86Å; K1469-F1472 HydrophobicContact CG-CZ 3.9Å; K1469-F1472 WeakPolarHBondContact O-CE2 2.99Å | ||
| 1470 | T | 77.5 | Confident | 84.6 | Confident | 103 Ų | 103 | 62.9 Ų | 62.9 | 63% | 0.632 | 33% | 0.328 | S | S | * | . | trans | -80.5 | -1.7 | -178.5 | 56.3 | 0 | 0 | 0 | 0 | 114.7 | N1468 | N1468-T1470 PolarHBondContact O-N 3.34Š| ||
| 1471 | Q | 81.7 | Confident | 83.8 | Confident | 113 Ų | 113 | 68.8 Ų | 68.8 | 53% | 0.528 | 37% | 0.366 | S | S | . | . | trans | -141 | 125.6 | -179.9 | -66.2 | -174.8 | 11.3 | 0 | 0 | 111.9 | K1469 Y1494 | K1469-Q1471 VanDerWaalsContact C-N 3.29Å; K1469-Q1471 WeakPolarHBondContact CE-O 3.32Å; K1469-Q1471 WeakPolarHBondContact CG-O 3.17Å; K1469-Q1471 PolarHBondContact O-N 2.89Å; Q1471-Y1494 CarbonylContact C-O 3.54Å; Q1471-Y1494 VanDerWaalsContact CA-O 3.32Å; Q1471-Y1494 WeakPolarHBondContact CA-O 3.26Å | ||
| 1472 | F | 82.9 | Confident | 83 | Confident | 15 Ų | 15 | 65.9 Ų | 65.9 | 7% | 0.066 | 35% | 0.354 | C | S | . | . | trans | -126.3 | 146.8 | 174.2 | -70.3 | -97.5 | 0 | 0 | 0 | 109.6 | K1469 D1476 L1477 P1483 V1486 Y1494 | K1469-F1472 HydrophobicContact CB-CE2 3.96Å; K1469-F1472 HydrophobicContact CB-CZ 3.93Å; K1469-F1472 HydrophobicContact CD-CD1 4.11Å; K1469-F1472 HydrophobicContact CD-CD2 4.48Å; K1469-F1472 HydrophobicContact CD-CE1 3.65Å; K1469-F1472 HydrophobicContact CD-CE2 4.09Å; K1469-F1472 HydrophobicContact CD-CZ 3.66Å; K1469-F1472 HydrophobicContact CG-CD2 4.26Å; K1469-F1472 HydrophobicContact CG-CE1 4.34Å; K1469-F1472 HydrophobicContact CG-CE2 3.86Å; K1469-F1472 HydrophobicContact CG-CZ 3.9Å; K1469-F1472 WeakPolarHBondContact O-CE2 2.99Å; F1472-D1476 HydrophobicContact CB-CB 4.47Å; F1472-D1476 HydrophobicContact CD1-CB 4.38Å; F1472-L1477 HydrophobicContact CB-CD1 4.24Å; F1472-L1477 HydrophobicContact CB-CD2 3.87Å; F1472-L1477 HydrophobicContact CB-CG 3.85Å; F1472-L1477 HydrophobicContact CD2-CD2 4.38Å; F1472-L1477 HydrophobicContact CG-CD2 4.25Å; F1472-P1483 HydrophobicContact CD1-CB 3.95Å; F1472-P1483 HydrophobicContact CD1-CG 3.81Å; F1472-P1483 HydrophobicContact CE1-CB 3.32Å; F1472-P1483 HydrophobicContact CE1-CG 3.74Å; F1472-P1483 HydrophobicContact CZ-CB 3.75Å; F1472-P1483 HydrophobicContact CZ-CG 4.43Å; F1472-V1486 HydrophobicContact CD2-CG2 3.84Å; F1472-V1486 HydrophobicContact CE1-CG2 4.38Å; F1472-V1486 HydrophobicContact CE2-CG2 3.37Å; F1472-V1486 HydrophobicContact CG-CG2 4.5Å; F1472-V1486 HydrophobicContact CZ-CG2 3.68Å; F1472-Y1494 AromaticContact CD2-CD1 3.86Å; F1472-Y1494 HydrophobicContact CD2-CD1 3.86Å; F1472-Y1494 HydrophobicContact CD2-CG 4.44Å; F1472-Y1494 AromaticContact CE2-CD1 3.92Å; F1472-Y1494 HydrophobicContact CE2-CD1 3.92Å; F1472-Y1494 HydrophobicContact CE2-CE1 4.42Å; F1472-Y1494 PolarHBondContact N-O 3.24Å | ||
| 1473 | P | 84.9 | Confident | 82.3 | Confident | 57 Ų | 57 | 63 Ų | 63 | 37% | 0.37 | 34% | 0.34 | S | S | . | . | trans | -65.9 | 148.5 | 171.9 | 30.7 | -34.9 | 0 | 0 | 0 | 109.7 | Q1475 D1476 L1477 | P1473-Q1475 PolarHBondContact O-N 3.49Å; P1473-D1476 WeakPolarHBondContact CD-OD2 3.48Å; P1473-D1476 HydrophobicContact CG-CB 4.11Å; P1473-D1476 WeakPolarHBondContact CG-OD2 3.36Å; P1473-D1476 PolarHBondContact O-N 2.8Å; P1473-L1477 PolarHBondContact O-N 3.48Å | ||
| 1474 | L | 83.4 | Confident | 81.4 | Confident | 51 Ų | 51 | 66 Ų | 66 | 27% | 0.267 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -50.8 | -34.8 | 180 | 179.6 | 64.6 | 0 | 0 | 0 | 113 | D1476 L1477 L1478 L1495 A1503 L1528 | L1474-D1476 VanDerWaalsContact C-N 3.28Å; L1474-D1476 PolarHBondContact O-N 3.21Å; L1474-L1477 PolarHBondContact O-N 3.09Å; L1474-L1478 HydrophobicContact CD1-CD1 4.17Å; L1474-L1478 HydrophobicContact CD1-CG 4.34Å; L1474-L1478 HydrophobicContact CG-CD1 3.94Å; L1474-L1478 VanDerWaalsContact O-CG 3.29Å; L1474-L1478 WeakPolarHBondContact O-CG 3.36Å; L1474-L1478 PolarHBondContact O-N 2.64Å; L1474-L1495 HydrophobicContact CB-CD2 4.01Å; L1474-L1495 HydrophobicContact CD1-CD1 4.49Å; L1474-L1495 HydrophobicContact CD1-CD2 4Å; L1474-A1503 HydrophobicContact CD1-CB 3.92Å; L1474-A1503 HydrophobicContact CD2-CB 3.88Å; L1474-L1528 HydrophobicContact CD1-CD1 4.29Å; L1474-L1528 HydrophobicContact CD1-CD2 3.93Å; L1474-L1528 HydrophobicContact CD1-CG 4.39Å |
| 1475 | Q | 84.5 | Confident | 80.4 | Confident | 152 Ų | 152 | 66.1 Ų | 66.1 | 71% | 0.71 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -63.2 | -29 | 178.2 | -61.3 | -178.2 | 10.1 | 0 | 0 | 113.8 | P1473 K1479 | P1473-Q1475 PolarHBondContact O-N 3.49Å; Q1475-K1479 WeakPolarHBondContact O-CE 3.33Å; Q1475-K1479 WeakPolarHBondContact O-CG 3.23Å |
| 1476 | D | 83.8 | Confident | 79.8 | Confident | 39 Ų | 39 | 63.9 Ų | 63.9 | 21% | 0.209 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -82.3 | -38.9 | 178.6 | -71.4 | -17.8 | 0 | 0 | 0 | 111.5 | F1472 P1473 L1474 L1478 K1479 P1483 | F1472-D1476 HydrophobicContact CB-CB 4.47Å; F1472-D1476 HydrophobicContact CD1-CB 4.38Å; P1473-D1476 WeakPolarHBondContact CD-OD2 3.48Å; P1473-D1476 HydrophobicContact CG-CB 4.11Å; P1473-D1476 WeakPolarHBondContact CG-OD2 3.36Å; P1473-D1476 PolarHBondContact O-N 2.8Å; L1474-D1476 VanDerWaalsContact C-N 3.28Å; L1474-D1476 PolarHBondContact O-N 3.21Å; D1476-L1478 PolarHBondContact O-N 2.77Å; D1476-K1479 WeakPolarHBondContact O-CB 3.37Å; D1476-K1479 PolarHBondContact O-N 3.34Å; D1476-K1479 VanDerWaalsContact O-N 3.08Å; D1476-K1479 IonicContact OD1-NZ 3.49Å; D1476-K1479 PolarHBondContact OD1-NZ 3.1Å; D1476-P1483 HydrophobicContact CB-CG 4.19Å |
| 1477 | L | 83.4 | Confident | 79.4 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -69 | -14.7 | 177 | -60.5 | 173 | 0 | 0 | 0 | 113.2 | F1472 P1473 L1474 R1480 L1482 V1486 L1491 L1495 L1528 | F1472-L1477 HydrophobicContact CB-CD1 4.24Å; F1472-L1477 HydrophobicContact CB-CD2 3.87Å; F1472-L1477 HydrophobicContact CB-CG 3.85Å; F1472-L1477 HydrophobicContact CD2-CD2 4.38Å; F1472-L1477 HydrophobicContact CG-CD2 4.25Å; P1473-L1477 PolarHBondContact O-N 3.48Å; L1474-L1477 PolarHBondContact O-N 3.09Å; L1477-R1480 PolarHBondContact O-NH1 3.21Å; L1477-L1482 WeakPolarHBondContact O-CD2 3.45Å; L1477-V1486 HydrophobicContact CD2-CG1 3.69Å; L1477-V1486 HydrophobicContact CD2-CG2 4.18Å; L1477-L1491 HydrophobicContact CD2-CD2 4.24Å; L1477-L1495 HydrophobicContact CD1-CD2 3.68Å; L1477-L1495 HydrophobicContact CD1-CG 3.88Å; L1477-L1528 HydrophobicContact CB-CD2 4.39Å |
| 1478 | L | 83.4 | Confident | 79.2 | Confident | 79 Ų | 79 | 65.8 Ų | 65.8 | 41% | 0.414 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -10.6 | 172.6 | -68 | 172.3 | 0 | 0 | 0 | 113.7 | L1474 D1476 | L1474-L1478 HydrophobicContact CD1-CD1 4.17Å; L1474-L1478 HydrophobicContact CD1-CG 4.34Å; L1474-L1478 HydrophobicContact CG-CD1 3.94Å; L1474-L1478 VanDerWaalsContact O-CG 3.29Å; L1474-L1478 WeakPolarHBondContact O-CG 3.36Å; L1474-L1478 PolarHBondContact O-N 2.64Å; D1476-L1478 PolarHBondContact O-N 2.77Å |
| 1479 | K | 81.6 | Confident | 78.8 | Confident | 112 Ų | 112 | 69.1 Ų | 69.1 | 49% | 0.487 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -75.7 | 154.2 | 174.8 | -71.3 | 165.4 | -166.3 | 167.9 | 0 | 111.1 | Q1475 D1476 P1481 | Q1475-K1479 WeakPolarHBondContact O-CE 3.33Å; Q1475-K1479 WeakPolarHBondContact O-CG 3.23Å; D1476-K1479 WeakPolarHBondContact O-CB 3.37Å; D1476-K1479 PolarHBondContact O-N 3.34Å; D1476-K1479 VanDerWaalsContact O-N 3.08Å; D1476-K1479 IonicContact OD1-NZ 3.49Å; D1476-K1479 PolarHBondContact OD1-NZ 3.1Å; K1479-P1481 CarbonylContact C-O 3.5Å |
| 1480 | R | 81.4 | Confident | 78.8 | Confident | 110 Ų | 110 | 68.4 Ų | 68.4 | 42% | 0.415 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -131.1 | 126.2 | 172.8 | -58.7 | -63.7 | 176.8 | -102.4 | 4.1 | 107.6 | L1477 G1527 | L1477-R1480 PolarHBondContact O-NH1 3.21Å; R1480-G1527 PolarHBondContact NH2-O 2.7Å |
| 1481 | P | 75.2 | Confident | 79.2 | Confident | 123 Ų | 123 | 63.5 Ų | 63.5 | 80% | 0.799 | 33% | 0.325 | S | S | * | . | S | Bend | cis | -59 | 159.4 | -3.4 | 28.1 | -36.3 | 0 | 0 | 0 | 113.2 | K1479 | K1479-P1481 CarbonylContact C-O 3.5Š|
| 1482 | L | 76.8 | Confident | 79.3 | Confident | 38 Ų | 38 | 58.7 Ų | 58.7 | 20% | 0.199 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 160.1 | 172.2 | -82.5 | 172.7 | 0 | 0 | 0 | 110.7 | L1477 V1486 P1488 L1491 L1530 | L1477-L1482 WeakPolarHBondContact O-CD2 3.45Å; L1482-V1486 HydrophobicContact CD1-CG1 4.33Å; L1482-V1486 HydrophobicContact CD2-CG1 4.33Å; L1482-P1488 HydrophobicContact CD1-CB 3.85Å; L1482-L1491 HydrophobicContact CD1-CD2 3.89Å; L1482-L1491 HydrophobicContact CD2-CD2 3.81Å; L1482-L1530 HydrophobicContact CD1-CD1 3.56Å; L1482-L1530 HydrophobicContact CG-CD1 4.21Å |
| 1483 | P | 76.2 | Confident | 79.4 | Confident | 33 Ų | 33 | 62.1 Ų | 62.1 | 21% | 0.214 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -61 | 148.1 | 167.3 | -17 | 30.4 | 0 | 0 | 0 | 111.9 | F1472 D1476 V1486 | F1472-P1483 HydrophobicContact CD1-CB 3.95Å; F1472-P1483 HydrophobicContact CD1-CG 3.81Å; F1472-P1483 HydrophobicContact CE1-CB 3.32Å; F1472-P1483 HydrophobicContact CE1-CG 3.74Å; F1472-P1483 HydrophobicContact CZ-CB 3.75Å; F1472-P1483 HydrophobicContact CZ-CG 4.43Å; D1476-P1483 HydrophobicContact CB-CG 4.19Å; P1483-V1486 HydrophobicContact CB-CG2 3.86Å; P1483-V1486 HydrophobicContact CG-CG2 4.18Å; P1483-V1486 WeakPolarHBondContact O-CB 3.37Å; P1483-V1486 WeakPolarHBondContact O-CG2 3.47Å; P1483-V1486 PolarHBondContact O-N 2.88Å |
| 1484 | E | 69.7 | Low | 79.4 | Confident | 71 Ų | 71 | 61.3 Ų | 61.3 | 33% | 0.332 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 140.9 | 179.6 | -150.7 | -173.6 | 173.2 | 0 | 0 | 111.7 | K1401 L1467 V1486 | K1401-E1484 WeakPolarHBondContact CE-OE1 3.44Å; K1401-E1484 IonicContact NZ-OE1 2.67Å; K1401-E1484 PolarHBondContact NZ-OE1 3.02Å; L1467-E1484 HydrophobicContact CD2-CB 4.17Å; L1467-E1484 HydrophobicContact CD2-CG 3.69Å; E1484-V1486 VanDerWaalsContact C-N 3.26Å; E1484-V1486 PolarHBondContact O-N 2.89Å |
| 1485 | G | 68.8 | Low | 79.6 | Confident | 17 Ų | 17 | 59.5 Ų | 59.5 | 18% | 0.175 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 4.8 | -177 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y1494 | G1485-Y1494 PolarHBondContact O-OH 2.89Š|
| 1486 | V | 75.6 | Confident | 79.7 | Confident | 10 Ų | 10 | 53.2 Ų | 53.2 | 6% | 0.061 | 28% | 0.275 | C | S | . | . | trans | -88.6 | 116.5 | 174.3 | 177.2 | 0 | 0 | 0 | 0 | 111 | F1472 L1477 L1482 P1483 E1484 P1488 L1491 Y1494 | F1472-V1486 HydrophobicContact CD2-CG2 3.84Å; F1472-V1486 HydrophobicContact CE1-CG2 4.38Å; F1472-V1486 HydrophobicContact CE2-CG2 3.37Å; F1472-V1486 HydrophobicContact CG-CG2 4.5Å; F1472-V1486 HydrophobicContact CZ-CG2 3.68Å; L1477-V1486 HydrophobicContact CD2-CG1 3.69Å; L1477-V1486 HydrophobicContact CD2-CG2 4.18Å; L1482-V1486 HydrophobicContact CD1-CG1 4.33Å; L1482-V1486 HydrophobicContact CD2-CG1 4.33Å; P1483-V1486 HydrophobicContact CB-CG2 3.86Å; P1483-V1486 HydrophobicContact CG-CG2 4.18Å; P1483-V1486 WeakPolarHBondContact O-CB 3.37Å; P1483-V1486 WeakPolarHBondContact O-CG2 3.47Å; P1483-V1486 PolarHBondContact O-N 2.88Å; E1484-V1486 VanDerWaalsContact C-N 3.26Å; E1484-V1486 PolarHBondContact O-N 2.89Å; V1486-P1488 WeakPolarHBondContact O-CD 3.34Å; V1486-L1491 HydrophobicContact CG1-CD2 3.39Å; V1486-Y1494 HydrophobicContact CB-CE1 4.44Å; V1486-Y1494 HydrophobicContact CG1-CD2 4.09Å; V1486-Y1494 HydrophobicContact CG1-CE2 4.14Å; V1486-Y1494 HydrophobicContact CG1-CG 4.3Å; V1486-Y1494 HydrophobicContact CG2-CD1 4.14Å; V1486-Y1494 HydrophobicContact CG2-CE1 4.15Å | ||
| 1487 | D | 74.7 | Confident | 79.8 | Confident | 59 Ų | 59 | 59.1 Ų | 59.1 | 32% | 0.316 | 30% | 0.301 | S | S | . | . | trans | -65.7 | 115.4 | 173.4 | -176.5 | -18.6 | 0 | 0 | 0 | 110.9 | Q1489 H1490 L1491 Y1494 | D1487-Q1489 PolarHBondContact O-N 2.67Å; D1487-Q1489 WeakPolarHBondContact OD1-CB 3.33Å; D1487-Q1489 PolarHBondContact OD1-N 2.74Å; D1487-H1490 HydrophobicContact CB-CB 4.21Å; D1487-H1490 PolarHBondContact O-N 3.24Å; D1487-H1490 VanDerWaalsContact O-N 3.13Å; D1487-H1490 IonicContact OD2-CD2 3.43Å; D1487-H1490 PolarHBondContact OD2-CD2 3.46Å; D1487-L1491 PolarHBondContact O-N 2.68Å; D1487-Y1494 HydrophobicContact CB-CE2 4.02Å; D1487-Y1494 PolarHBondContact N-OH 3.43Å | ||
| 1488 | P | 76.5 | Confident | 79.9 | Confident | 46 Ų | 46 | 65.7 Ų | 65.7 | 30% | 0.299 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -20.6 | -178.3 | 28.3 | -35.6 | 0 | 0 | 0 | 113.6 | L1482 V1486 L1530 | L1482-P1488 HydrophobicContact CD1-CB 3.85Å; V1486-P1488 WeakPolarHBondContact O-CD 3.34Å; P1488-L1530 HydrophobicContact CB-CB 4.29Å; P1488-L1530 HydrophobicContact CB-CD1 3.65Å |
| 1489 | Q | 73.3 | Confident | 80 | Confident | 136 Ų | 136 | 64.1 Ų | 64.1 | 64% | 0.636 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -19.7 | 177.9 | -54.8 | -171.6 | -0.1 | 0 | 0 | 112 | D1487 K1523 | D1487-Q1489 PolarHBondContact O-N 2.67Å; D1487-Q1489 WeakPolarHBondContact OD1-CB 3.33Å; D1487-Q1489 PolarHBondContact OD1-N 2.74Å; Q1489-K1523 PolarHBondContact O-NZ 3.23Å |
| 1490 | H | 80.6 | Confident | 80.4 | Confident | 73 Ų | 73 | 59 Ų | 59 | 34% | 0.338 | 30% | 0.301 | S | S | . | . | trans | -131.5 | 34.3 | -166.2 | -78.8 | -61.1 | 0 | 0 | 0 | 114.7 | D1487 E1492 N1493 Y1494 | D1487-H1490 HydrophobicContact CB-CB 4.21Å; D1487-H1490 PolarHBondContact O-N 3.24Å; D1487-H1490 VanDerWaalsContact O-N 3.13Å; D1487-H1490 IonicContact OD2-CD2 3.43Å; D1487-H1490 PolarHBondContact OD2-CD2 3.46Å; H1490-E1492 WeakPolarHBondContact CA-OE2 3.5Å; H1490-E1492 IonicContact CE1-OE1 3.62Å; H1490-E1492 IonicContact CG-OE1 3.74Å; H1490-E1492 IonicContact ND1-OE1 3.25Å; H1490-E1492 PolarHBondContact ND1-OE1 3.42Å; H1490-E1492 PolarHBondContact O-N 3.08Å; H1490-N1493 WeakPolarHBondContact O-CB 3.38Å; H1490-N1493 PolarHBondContact O-N 3.32Å; H1490-Y1494 WeakPolarHBondContact O-CD2 3.48Å | ||
| 1491 | L | 84 | Confident | 80.8 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -50.8 | -29.6 | 178.7 | -59.7 | -179.4 | 0 | 0 | 0 | 114.2 | L1477 L1482 V1486 D1487 N1493 Y1494 L1528 | L1477-L1491 HydrophobicContact CD2-CD2 4.24Å; L1482-L1491 HydrophobicContact CD1-CD2 3.89Å; L1482-L1491 HydrophobicContact CD2-CD2 3.81Å; V1486-L1491 HydrophobicContact CG1-CD2 3.39Å; D1487-L1491 PolarHBondContact O-N 2.68Å; L1491-N1493 VanDerWaalsContact C-N 3.26Å; L1491-N1493 PolarHBondContact O-N 3.27Å; L1491-Y1494 PolarHBondContact O-N 3.12Å; L1491-L1528 HydrophobicContact CB-CB 4.47Å; L1491-L1528 HydrophobicContact CB-CD2 4.03Å |
| 1492 | E | 85.7 | Confident | 81.3 | Confident | 11 Ų | 11 | 57.3 Ų | 57.3 | 5% | 0.051 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -62.1 | -28 | 175.6 | 72.8 | -75.7 | -176.1 | 0 | 0 | 114.2 | H1490 Y1494 F1500 L1504 Y1511 K1523 | H1490-E1492 WeakPolarHBondContact CA-OE2 3.5Å; H1490-E1492 IonicContact CE1-OE1 3.62Å; H1490-E1492 IonicContact CG-OE1 3.74Å; H1490-E1492 IonicContact ND1-OE1 3.25Å; H1490-E1492 PolarHBondContact ND1-OE1 3.42Å; H1490-E1492 PolarHBondContact O-N 3.08Å; E1492-Y1494 PolarHBondContact O-N 3.3Å; E1492-F1500 HydrophobicContact CB-CE2 4.1Å; E1492-L1504 HydrophobicContact CB-CD1 4.46Å; E1492-Y1511 HydrophobicContact CG-CE1 3.92Å; E1492-K1523 VanDerWaalsContact CD-CE 3.41Å; E1492-K1523 WeakPolarHBondContact OE1-CE 3.37Å; E1492-K1523 IonicContact OE1-NZ 3.02Å; E1492-K1523 PolarHBondContact OE1-NZ 3.46Å; E1492-K1523 WeakPolarHBondContact OE2-CE 3.39Å; E1492-K1523 IonicContact OE2-NZ 2.71Å; E1492-K1523 PolarHBondContact OE2-NZ 3.47Å |
| 1493 | N | 84.8 | Confident | 81.7 | Confident | 87 Ų | 87 | 55.9 Ų | 55.9 | 47% | 0.465 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -75 | -15.4 | 179.4 | -70.1 | -26.8 | 0 | 0 | 0 | 112.6 | H1490 L1491 | H1490-N1493 WeakPolarHBondContact O-CB 3.38Å; H1490-N1493 PolarHBondContact O-N 3.32Å; L1491-N1493 VanDerWaalsContact C-N 3.26Å; L1491-N1493 PolarHBondContact O-N 3.27Å |
| 1494 | Y | 85.1 | Confident | 82.2 | Confident | 41 Ų | 41 | 54.6 Ų | 54.6 | 16% | 0.161 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -97.7 | 2.6 | -179.3 | -64.8 | -94.3 | 0 | 0 | 0 | 113.2 | Q1471 F1472 G1485 V1486 D1487 H1490 L1491 E1492 | Q1471-Y1494 CarbonylContact C-O 3.54Å; Q1471-Y1494 VanDerWaalsContact CA-O 3.32Å; Q1471-Y1494 WeakPolarHBondContact CA-O 3.26Å; F1472-Y1494 AromaticContact CD2-CD1 3.86Å; F1472-Y1494 HydrophobicContact CD2-CD1 3.86Å; F1472-Y1494 HydrophobicContact CD2-CG 4.44Å; F1472-Y1494 AromaticContact CE2-CD1 3.92Å; F1472-Y1494 HydrophobicContact CE2-CD1 3.92Å; F1472-Y1494 HydrophobicContact CE2-CE1 4.42Å; F1472-Y1494 PolarHBondContact N-O 3.24Å; G1485-Y1494 PolarHBondContact O-OH 2.89Å; V1486-Y1494 HydrophobicContact CB-CE1 4.44Å; V1486-Y1494 HydrophobicContact CG1-CD2 4.09Å; V1486-Y1494 HydrophobicContact CG1-CE2 4.14Å; V1486-Y1494 HydrophobicContact CG1-CG 4.3Å; V1486-Y1494 HydrophobicContact CG2-CD1 4.14Å; V1486-Y1494 HydrophobicContact CG2-CE1 4.15Å; D1487-Y1494 HydrophobicContact CB-CE2 4.02Å; D1487-Y1494 PolarHBondContact N-OH 3.43Å; H1490-Y1494 WeakPolarHBondContact O-CD2 3.48Å; L1491-Y1494 PolarHBondContact O-N 3.12Å; E1492-Y1494 PolarHBondContact O-N 3.3Å |
| 1495 | L | 86.3 | Confident | 83 | Confident | 12 Ų | 12 | 54.2 Ų | 54.2 | 6% | 0.063 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -88.2 | 141.3 | 175 | -70.9 | 170.2 | 0 | 0 | 0 | 111.1 | L1474 L1477 D1499 F1500 A1503 L1528 | L1474-L1495 HydrophobicContact CB-CD2 4.01Å; L1474-L1495 HydrophobicContact CD1-CD1 4.49Å; L1474-L1495 HydrophobicContact CD1-CD2 4Å; L1477-L1495 HydrophobicContact CD1-CD2 3.68Å; L1477-L1495 HydrophobicContact CD1-CG 3.88Å; L1495-D1499 HydrophobicContact CD2-CB 4.08Å; L1495-F1500 HydrophobicContact CB-CB 3.99Å; L1495-F1500 HydrophobicContact CB-CD2 4.46Å; L1495-A1503 HydrophobicContact CD1-CB 4.15Å; L1495-L1528 HydrophobicContact CD1-CD1 3.85Å; L1495-L1528 HydrophobicContact CD1-CD2 4.47Å |
| 1496 | S | 86.5 | Confident | 84 | Confident | 21 Ų | 21 | 55.6 Ų | 55.6 | 15% | 0.147 | 30% | 0.301 | C | S | . | . | trans | -63.3 | 158.2 | 168.8 | 85.6 | 0 | 0 | 0 | 0 | 110.5 | H1498 D1499 F1500 | S1496-H1498 PolarHBondContact O-N 3.35Å; S1496-H1498 VanDerWaalsContact O-N 3.07Å; S1496-H1498 PolarHBondContact OG-N 3.02Å; S1496-D1499 WeakPolarHBondContact CB-OD2 3.12Å; S1496-D1499 PolarHBondContact O-N 3.02Å; S1496-D1499 PolarHBondContact OG-N 3.42Å; S1496-D1499 VanDerWaalsContact OG-N 3.15Å; S1496-D1499 PolarHBondContact OG-OD2 2.82Å; S1496-F1500 VanDerWaalsContact O-CB 3.23Å; S1496-F1500 WeakPolarHBondContact O-CB 3.48Å; S1496-F1500 PolarHBondContact O-N 3.22Å | ||
| 1497 | Q | 85.5 | Confident | 84.7 | Confident | 162 Ų | 162 | 57.7 Ų | 57.7 | 76% | 0.757 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -59.5 | -25.6 | 179.4 | -166.2 | -179.9 | 23 | 0 | 0 | 112.9 | ||
| 1498 | H | 86 | Confident | 85.2 | Confident | 139 Ų | 139 | 60.5 Ų | 60.5 | 64% | 0.644 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -72.2 | -53.2 | 171.7 | 175.2 | -91.5 | 0 | 0 | 0 | 111.2 | S1496 F1500 K1501 A1502 | S1496-H1498 PolarHBondContact O-N 3.35Å; S1496-H1498 VanDerWaalsContact O-N 3.07Å; S1496-H1498 PolarHBondContact OG-N 3.02Å; H1498-F1500 PolarHBondContact O-N 3.04Å; H1498-K1501 WeakPolarHBondContact O-CB 3.09Å; H1498-K1501 PolarHBondContact O-N 3.41Å; H1498-K1501 VanDerWaalsContact O-N 3.14Å; H1498-A1502 PolarHBondContact O-N 3.47Å |
| 1499 | D | 87 | Confident | 85.6 | Confident | 45 Ų | 45 | 64 Ų | 64 | 24% | 0.241 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -73.9 | -30.4 | -171.7 | -51 | -41.4 | 0 | 0 | 0 | 112 | L1495 S1496 K1501 A1502 A1503 | L1495-D1499 HydrophobicContact CD2-CB 4.08Å; S1496-D1499 WeakPolarHBondContact CB-OD2 3.12Å; S1496-D1499 PolarHBondContact O-N 3.02Å; S1496-D1499 PolarHBondContact OG-N 3.42Å; S1496-D1499 VanDerWaalsContact OG-N 3.15Å; S1496-D1499 PolarHBondContact OG-OD2 2.82Å; D1499-K1501 VanDerWaalsContact C-N 3.34Å; D1499-A1502 PolarHBondContact O-N 3.03Å; D1499-A1503 VanDerWaalsContact O-CB 3.22Å; D1499-A1503 WeakPolarHBondContact O-CB 3.44Å; D1499-A1503 PolarHBondContact O-N 3.42Å |
| 1500 | F | 89.1 | Confident | 86.4 | Confident | 4 Ų | 4 | 61.2 Ų | 61.2 | 2% | 0.018 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -55.6 | -50 | 167.4 | -174.4 | -78.4 | 0 | 0 | 0 | 110.7 | E1492 L1495 S1496 H1498 A1503 L1504 W1508 Y1511 | E1492-F1500 HydrophobicContact CB-CE2 4.1Å; L1495-F1500 HydrophobicContact CB-CB 3.99Å; L1495-F1500 HydrophobicContact CB-CD2 4.46Å; S1496-F1500 VanDerWaalsContact O-CB 3.23Å; S1496-F1500 WeakPolarHBondContact O-CB 3.48Å; S1496-F1500 PolarHBondContact O-N 3.22Å; H1498-F1500 PolarHBondContact O-N 3.04Å; F1500-A1503 PolarHBondContact O-N 3.07Å; F1500-L1504 HydrophobicContact CD1-CD1 4.28Å; F1500-L1504 HydrophobicContact CD2-CD1 4.02Å; F1500-L1504 HydrophobicContact CE1-CD1 3.87Å; F1500-L1504 HydrophobicContact CE2-CD1 3.61Å; F1500-L1504 HydrophobicContact CG-CD1 4.34Å; F1500-L1504 HydrophobicContact CZ-CD1 3.53Å; F1500-L1504 WeakPolarHBondContact O-CB 3.35Å; F1500-L1504 PolarHBondContact O-N 3.07Å; F1500-W1508 HydrophobicContact CD1-CB 4.48Å; F1500-W1508 HydrophobicContact CE1-CB 4.14Å; F1500-W1508 AromaticContact CE2-CD1 3.53Å; F1500-W1508 HydrophobicContact CE2-CG 4.5Å; F1500-W1508 HydrophobicContact CZ-CB 4.26Å; F1500-W1508 AromaticContact CZ-CD1 3.71Å; F1500-W1508 HydrophobicContact CZ-CG 4.32Å; F1500-Y1511 HydrophobicContact CE1-CG 4.4Å; F1500-Y1511 HydrophobicContact CE2-CD1 4.39Å; F1500-Y1511 AromaticContact CZ-CD1 3.81Å; F1500-Y1511 HydrophobicContact CZ-CD1 3.81Å; F1500-Y1511 HydrophobicContact CZ-CD2 4.28Å; F1500-Y1511 AromaticContact CZ-CG 3.64Å; F1500-Y1511 HydrophobicContact CZ-CG 3.64Å |
| 1501 | K | 88.8 | Confident | 86.8 | Confident | 127 Ų | 127 | 57.9 Ų | 57.9 | 55% | 0.552 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -67.9 | -35.3 | 179.6 | -172.1 | -178 | 176.5 | -173.2 | 0 | 111.9 | H1498 D1499 G1505 M1506 | H1498-K1501 WeakPolarHBondContact O-CB 3.09Å; H1498-K1501 PolarHBondContact O-N 3.41Å; H1498-K1501 VanDerWaalsContact O-N 3.14Å; D1499-K1501 VanDerWaalsContact C-N 3.34Å; K1501-G1505 WeakPolarHBondContact O-CA 3.43Å; K1501-G1505 PolarHBondContact O-N 2.68Å; K1501-M1506 WeakPolarHBondContact CA-O 3.41Å |
| 1502 | A | 86.3 | Confident | 86.9 | Confident | 71 Ų | 71 | 61.2 Ų | 61.2 | 59% | 0.587 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -69.4 | -43.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | H1498 D1499 | H1498-A1502 PolarHBondContact O-N 3.47Å; D1499-A1502 PolarHBondContact O-N 3.03Å |
| 1503 | A | 84.9 | Confident | 87 | Confident | 8 Ų | 8 | 65.3 Ų | 65.3 | 7% | 0.066 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -71.8 | -54.2 | -179 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1474 L1495 D1499 F1500 K1526 L1528 | L1474-A1503 HydrophobicContact CD1-CB 3.92Å; L1474-A1503 HydrophobicContact CD2-CB 3.88Å; L1495-A1503 HydrophobicContact CD1-CB 4.15Å; D1499-A1503 VanDerWaalsContact O-CB 3.22Å; D1499-A1503 WeakPolarHBondContact O-CB 3.44Å; D1499-A1503 PolarHBondContact O-N 3.42Å; F1500-A1503 PolarHBondContact O-N 3.07Å; A1503-K1526 VanDerWaalsContact O-CD 3.28Å; A1503-K1526 WeakPolarHBondContact O-CD 3.28Å; A1503-K1526 WeakPolarHBondContact O-CE 3.2Å; A1503-K1526 PolarHBondContact O-NZ 3.4Å; A1503-L1528 HydrophobicContact CB-CD1 4.22Å |
| 1504 | L | 86.7 | Confident | 87.2 | Confident | 6 Ų | 6 | 63.1 Ų | 63.1 | 3% | 0.031 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -91.2 | -14.6 | -171.3 | -59.4 | -178.6 | 0 | 0 | 0 | 113.5 | E1492 F1500 M1506 Y1511 L1522 K1526 L1528 | E1492-L1504 HydrophobicContact CB-CD1 4.46Å; F1500-L1504 HydrophobicContact CD1-CD1 4.28Å; F1500-L1504 HydrophobicContact CD2-CD1 4.02Å; F1500-L1504 HydrophobicContact CE1-CD1 3.87Å; F1500-L1504 HydrophobicContact CE2-CD1 3.61Å; F1500-L1504 HydrophobicContact CG-CD1 4.34Å; F1500-L1504 HydrophobicContact CZ-CD1 3.53Å; F1500-L1504 WeakPolarHBondContact O-CB 3.35Å; F1500-L1504 PolarHBondContact O-N 3.07Å; L1504-M1506 VanDerWaalsContact C-N 3.29Å; L1504-M1506 HydrophobicContact CB-CG 4.33Å; L1504-M1506 PolarHBondContact O-N 3.32Å; L1504-Y1511 HydrophobicContact CD1-CD2 4Å; L1504-Y1511 HydrophobicContact CD1-CE2 4.01Å; L1504-L1522 HydrophobicContact CB-CD2 4Å; L1504-L1522 HydrophobicContact CD1-CD2 4.47Å; L1504-L1522 HydrophobicContact CD2-CD2 4.02Å; L1504-L1522 HydrophobicContact CD2-CG 4.19Å; L1504-L1522 HydrophobicContact CG-CD2 4.39Å; L1504-K1526 HydrophobicContact CD2-CB 4.37Å; L1504-K1526 HydrophobicContact CD2-CG 4.07Å; L1504-L1528 HydrophobicContact CD2-CD1 3.8Å; L1504-L1528 HydrophobicContact CG-CD1 4.43Å |
| 1505 | G | 86.6 | Confident | 87.4 | Confident | 64 Ų | 64 | 64 Ų | 64 | 66% | 0.66 | 36% | 0.358 | S | S | * | . | S | Bend | trans | 77.8 | 5.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | K1501 | K1501-G1505 WeakPolarHBondContact O-CA 3.43Å; K1501-G1505 PolarHBondContact O-N 2.68Å |
| 1506 | M | 90.5 | Very high | 87.3 | Confident | 46 Ų | 46 | 69.1 Ų | 69.1 | 23% | 0.227 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -140.3 | 169.2 | -175.1 | 63.7 | -176 | 66 | 0 | 0 | 111.2 | K1501 L1504 D1510 Y1511 L1514 L1522 | K1501-M1506 WeakPolarHBondContact CA-O 3.41Å; L1504-M1506 VanDerWaalsContact C-N 3.29Å; L1504-M1506 HydrophobicContact CB-CG 4.33Å; L1504-M1506 PolarHBondContact O-N 3.32Å; M1506-D1510 HydrophobicContact CB-CB 4.15Å; M1506-Y1511 HydrophobicContact SD-CD2 4.06Å; M1506-L1514 HydrophobicContact CE-CD1 4.17Å; M1506-L1514 HydrophobicContact SD-CD1 3.79Å; M1506-L1522 HydrophobicContact CE-CD1 4.06Å; M1506-L1522 HydrophobicContact CE-CD2 3.52Å; M1506-L1522 HydrophobicContact CE-CG 4.47Å; M1506-L1522 HydrophobicContact SD-CD2 3.79Å |
| 1507 | T | 89.4 | Confident | 87.2 | Confident | 53 Ų | 53 | 73.5 Ų | 73.5 | 33% | 0.325 | 41% | 0.407 | S | S | . | . | trans | -83.3 | 160.9 | 174.6 | 78.8 | 0 | 0 | 0 | 0 | 111.6 | N1509 D1510 Y1511 | T1507-N1509 PolarHBondContact O-N 3.12Å; T1507-D1510 WeakPolarHBondContact CA-OD2 3.11Å; T1507-D1510 WeakPolarHBondContact CB-OD2 3.16Å; T1507-D1510 WeakPolarHBondContact CG2-OD2 3.3Å; T1507-D1510 PolarHBondContact N-OD2 3.43Å; T1507-D1510 PolarHBondContact O-N 2.74Å; T1507-D1510 VanDerWaalsContact O-N 3.09Å; T1507-D1510 PolarHBondContact OG1-N 3.47Å; T1507-D1510 PolarHBondContact OG1-OD2 2.83Å; T1507-Y1511 PolarHBondContact O-N 3.22Å | ||
| 1508 | W | 85.6 | Confident | 87.3 | Confident | 118 Ų | 118 | 70.6 Ų | 70.6 | 45% | 0.447 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -58.3 | -32.9 | 177.6 | -166.9 | 82 | 0 | 0 | 0 | 112.9 | F1500 N1512 | F1500-W1508 HydrophobicContact CD1-CB 4.48Å; F1500-W1508 HydrophobicContact CE1-CB 4.14Å; F1500-W1508 AromaticContact CE2-CD1 3.53Å; F1500-W1508 HydrophobicContact CE2-CG 4.5Å; F1500-W1508 HydrophobicContact CZ-CB 4.26Å; F1500-W1508 AromaticContact CZ-CD1 3.71Å; F1500-W1508 HydrophobicContact CZ-CG 4.32Å; W1508-N1512 VanDerWaalsContact CD2-ND2 3.34Å; W1508-N1512 VanDerWaalsContact CE2-ND2 3.33Å; W1508-N1512 WeakPolarHBondContact CH2-ND2 3.48Å; W1508-N1512 VanDerWaalsContact CZ2-ND2 3.26Å; W1508-N1512 WeakPolarHBondContact CZ2-ND2 3.4Å; W1508-N1512 WeakPolarHBondContact CZ3-ND2 3.49Å; W1508-N1512 WeakPolarHBondContact O-CB 3.21Å; W1508-N1512 VanDerWaalsContact O-CG 3.29Å; W1508-N1512 PolarHBondContact O-N 3.29Å; W1508-N1512 PolarHBondContact O-ND2 2.88Å |
| 1509 | N | 86 | Confident | 87.4 | Confident | 120 Ų | 120 | 65.7 Ų | 65.7 | 64% | 0.642 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -68.4 | -41.7 | 175.2 | -65.2 | -10.6 | 0 | 0 | 0 | 111.8 | T1507 N1512 S1513 | T1507-N1509 PolarHBondContact O-N 3.12Å; N1509-N1512 PolarHBondContact O-N 3.24Å; N1509-S1513 PolarHBondContact O-N 3.5Å |
| 1510 | D | 88.6 | Confident | 87.2 | Confident | 77 Ų | 77 | 66.4 Ų | 66.4 | 41% | 0.412 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.5 | -45.8 | 178.3 | -48.2 | -48.4 | 0 | 0 | 0 | 109.9 | M1506 T1507 N1512 S1513 L1514 | M1506-D1510 HydrophobicContact CB-CB 4.15Å; T1507-D1510 WeakPolarHBondContact CA-OD2 3.11Å; T1507-D1510 WeakPolarHBondContact CB-OD2 3.16Å; T1507-D1510 WeakPolarHBondContact CG2-OD2 3.3Å; T1507-D1510 PolarHBondContact N-OD2 3.43Å; T1507-D1510 PolarHBondContact O-N 2.74Å; T1507-D1510 VanDerWaalsContact O-N 3.09Å; T1507-D1510 PolarHBondContact OG1-N 3.47Å; T1507-D1510 PolarHBondContact OG1-OD2 2.83Å; D1510-N1512 PolarHBondContact O-N 3.44Å; D1510-S1513 WeakPolarHBondContact O-CA 3.15Å; D1510-S1513 WeakPolarHBondContact O-CB 3.41Å; D1510-S1513 PolarHBondContact O-N 2.89Å; D1510-S1513 PolarHBondContact O-OG 3.44Å; D1510-L1514 PolarHBondContact O-N 3.23Å |
| 1511 | Y | 90.3 | Very high | 87.1 | Confident | 4 Ų | 4 | 70.1 Ų | 70.1 | 2% | 0.016 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -59.3 | -42.5 | 176.9 | -178.4 | -99.1 | 0 | 0 | 0 | 112.8 | E1492 F1500 L1504 M1506 T1507 S1513 L1514 K1519 L1522 K1523 | E1492-Y1511 HydrophobicContact CG-CE1 3.92Å; F1500-Y1511 HydrophobicContact CE1-CG 4.4Å; F1500-Y1511 HydrophobicContact CE2-CD1 4.39Å; F1500-Y1511 AromaticContact CZ-CD1 3.81Å; F1500-Y1511 HydrophobicContact CZ-CD1 3.81Å; F1500-Y1511 HydrophobicContact CZ-CD2 4.28Å; F1500-Y1511 AromaticContact CZ-CG 3.64Å; F1500-Y1511 HydrophobicContact CZ-CG 3.64Å; L1504-Y1511 HydrophobicContact CD1-CD2 4Å; L1504-Y1511 HydrophobicContact CD1-CE2 4.01Å; M1506-Y1511 HydrophobicContact SD-CD2 4.06Å; T1507-Y1511 PolarHBondContact O-N 3.22Å; Y1511-S1513 PolarHBondContact O-N 2.94Å; Y1511-L1514 HydrophobicContact CD2-CD1 4.08Å; Y1511-L1514 VanDerWaalsContact O-CB 3.3Å; Y1511-L1514 WeakPolarHBondContact O-CB 3.34Å; Y1511-L1514 PolarHBondContact O-N 3.45Å; Y1511-L1514 VanDerWaalsContact O-N 3.12Å; Y1511-K1519 HydrophobicContact CD1-CD 4.49Å; Y1511-K1519 HydrophobicContact CD1-CG 4.49Å; Y1511-K1519 HydrophobicContact CD2-CG 4.41Å; Y1511-K1519 HydrophobicContact CE1-CB 4.47Å; Y1511-K1519 HydrophobicContact CE1-CD 3.98Å; Y1511-K1519 HydrophobicContact CE1-CG 4.01Å; Y1511-K1519 HydrophobicContact CE2-CB 4.04Å; Y1511-K1519 HydrophobicContact CE2-CG 3.92Å; Y1511-K1519 WeakPolarHBondContact O-CE 3.32Å; Y1511-L1522 HydrophobicContact CD2-CD2 3.73Å; Y1511-L1522 HydrophobicContact CE2-CD2 3.82Å; Y1511-K1523 WeakPolarHBondContact OH-CE 3.22Å |
| 1512 | N | 86.3 | Confident | 86.9 | Confident | 69 Ų | 69 | 65.6 Ų | 65.6 | 37% | 0.369 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -68.3 | -19 | 176.1 | -74.9 | -15.6 | 0 | 0 | 0 | 113.5 | W1508 N1509 D1510 | W1508-N1512 VanDerWaalsContact CD2-ND2 3.34Å; W1508-N1512 VanDerWaalsContact CE2-ND2 3.33Å; W1508-N1512 WeakPolarHBondContact CH2-ND2 3.48Å; W1508-N1512 VanDerWaalsContact CZ2-ND2 3.26Å; W1508-N1512 WeakPolarHBondContact CZ2-ND2 3.4Å; W1508-N1512 WeakPolarHBondContact CZ3-ND2 3.49Å; W1508-N1512 WeakPolarHBondContact O-CB 3.21Å; W1508-N1512 VanDerWaalsContact O-CG 3.29Å; W1508-N1512 PolarHBondContact O-N 3.29Å; W1508-N1512 PolarHBondContact O-ND2 2.88Å; N1509-N1512 PolarHBondContact O-N 3.24Å; D1510-N1512 PolarHBondContact O-N 3.44Å |
| 1513 | S | 87.8 | Confident | 87 | Confident | 98 Ų | 98 | 63.1 Ų | 63.1 | 69% | 0.685 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -9.4 | 172.8 | 78.8 | 0 | 0 | 0 | 0 | 114.3 | N1509 D1510 Y1511 | N1509-S1513 PolarHBondContact O-N 3.5Å; D1510-S1513 WeakPolarHBondContact O-CA 3.15Å; D1510-S1513 WeakPolarHBondContact O-CB 3.41Å; D1510-S1513 PolarHBondContact O-N 2.89Å; D1510-S1513 PolarHBondContact O-OG 3.44Å; Y1511-S1513 PolarHBondContact O-N 2.94Å |
| 1514 | L | 88.3 | Confident | 87 | Confident | 41 Ų | 41 | 67.5 Ų | 67.5 | 22% | 0.215 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -72 | 154.5 | 172.2 | -61.3 | -180 | 0 | 0 | 0 | 111.5 | M1506 D1510 Y1511 Q1518 K1519 L1522 | M1506-L1514 HydrophobicContact CE-CD1 4.17Å; M1506-L1514 HydrophobicContact SD-CD1 3.79Å; D1510-L1514 PolarHBondContact O-N 3.23Å; Y1511-L1514 HydrophobicContact CD2-CD1 4.08Å; Y1511-L1514 VanDerWaalsContact O-CB 3.3Å; Y1511-L1514 WeakPolarHBondContact O-CB 3.34Å; Y1511-L1514 PolarHBondContact O-N 3.45Å; Y1511-L1514 VanDerWaalsContact O-N 3.12Å; L1514-Q1518 HydrophobicContact CB-CB 3.98Å; L1514-Q1518 HydrophobicContact CD1-CB 4.37Å; L1514-Q1518 HydrophobicContact CD2-CB 4.43Å; L1514-K1519 HydrophobicContact CB-CG 3.95Å; L1514-K1519 WeakPolarHBondContact O-CE 3.23Å; L1514-K1519 PolarHBondContact O-NZ 3.26Å; L1514-L1522 HydrophobicContact CD1-CD2 4.37Å |
| 1515 | S | 88.9 | Confident | 86.9 | Confident | 60 Ų | 60 | 71.1 Ų | 71.1 | 42% | 0.42 | 39% | 0.393 | S | S | . | . | trans | -69.5 | 155.6 | 165.4 | 72.2 | 0 | 0 | 0 | 0 | 110.8 | L1517 Q1518 K1519 | S1515-L1517 PolarHBondContact O-N 3.42Å; S1515-Q1518 WeakPolarHBondContact O-CA 3.43Å; S1515-Q1518 WeakPolarHBondContact O-CB 3.36Å; S1515-Q1518 PolarHBondContact O-N 3.41Å; S1515-Q1518 WeakPolarHBondContact OG-CG 3.32Å; S1515-Q1518 PolarHBondContact OG-N 2.9Å; S1515-Q1518 PolarHBondContact OG-OE1 2.77Å; S1515-K1519 WeakPolarHBondContact O-CG 3.44Å; S1515-K1519 PolarHBondContact O-N 3.04Å | ||
| 1516 | D | 84.4 | Confident | 86.7 | Confident | 119 Ų | 119 | 72.4 Ų | 72.4 | 64% | 0.636 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -67 | -24.6 | -174.9 | -54.2 | -53.8 | 0 | 0 | 0 | 113.1 | K1519 M1520 | D1516-K1519 PolarHBondContact O-N 3.38Å; D1516-K1519 WeakPolarHBondContact OD1-CD 3.35Å; D1516-K1519 IonicContact OD1-NZ 2.68Å; D1516-K1519 PolarHBondContact OD1-NZ 3.33Å; D1516-M1520 WeakPolarHBondContact O-CB 3.29Å; D1516-M1520 PolarHBondContact O-N 3.02Å |
| 1517 | L | 83.9 | Confident | 86.2 | Confident | 113 Ų | 113 | 71.9 Ų | 71.9 | 59% | 0.592 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -67.5 | -45.3 | 170.3 | -162.1 | 152.6 | 0 | 0 | 0 | 111 | S1515 K1519 M1520 D1521 | S1515-L1517 PolarHBondContact O-N 3.42Å; L1517-K1519 VanDerWaalsContact C-N 3.34Å; L1517-K1519 PolarHBondContact O-N 3.37Å; L1517-M1520 HydrophobicContact CG-CE 4.34Å; L1517-M1520 PolarHBondContact O-N 2.99Å; L1517-D1521 WeakPolarHBondContact CD2-OD2 3.49Å; L1517-D1521 PolarHBondContact O-N 3.37Å |
| 1518 | Q | 87.7 | Confident | 85.7 | Confident | 101 Ų | 101 | 69.4 Ų | 69.4 | 47% | 0.472 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.8 | -38.2 | 172.2 | -71.2 | 171.5 | -38.3 | 0 | 0 | 112.3 | L1514 S1515 L1522 | L1514-Q1518 HydrophobicContact CB-CB 3.98Å; L1514-Q1518 HydrophobicContact CD1-CB 4.37Å; L1514-Q1518 HydrophobicContact CD2-CB 4.43Å; S1515-Q1518 WeakPolarHBondContact O-CA 3.43Å; S1515-Q1518 WeakPolarHBondContact O-CB 3.36Å; S1515-Q1518 PolarHBondContact O-N 3.41Å; S1515-Q1518 WeakPolarHBondContact OG-CG 3.32Å; S1515-Q1518 PolarHBondContact OG-N 2.9Å; S1515-Q1518 PolarHBondContact OG-OE1 2.77Å; Q1518-L1522 VanDerWaalsContact O-CB 3.32Å; Q1518-L1522 WeakPolarHBondContact O-CB 3.38Å; Q1518-L1522 PolarHBondContact O-N 3.09Å |
| 1519 | K | 88.2 | Confident | 85.2 | Confident | 35 Ų | 35 | 68 Ų | 68 | 15% | 0.152 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62 | -46.7 | 174.1 | -69.1 | 177 | -164.3 | 146.6 | 0 | 111.2 | Y1511 L1514 S1515 D1516 L1517 L1522 K1523 | Y1511-K1519 HydrophobicContact CD1-CD 4.49Å; Y1511-K1519 HydrophobicContact CD1-CG 4.49Å; Y1511-K1519 HydrophobicContact CD2-CG 4.41Å; Y1511-K1519 HydrophobicContact CE1-CB 4.47Å; Y1511-K1519 HydrophobicContact CE1-CD 3.98Å; Y1511-K1519 HydrophobicContact CE1-CG 4.01Å; Y1511-K1519 HydrophobicContact CE2-CB 4.04Å; Y1511-K1519 HydrophobicContact CE2-CG 3.92Å; Y1511-K1519 WeakPolarHBondContact O-CE 3.32Å; L1514-K1519 HydrophobicContact CB-CG 3.95Å; L1514-K1519 WeakPolarHBondContact O-CE 3.23Å; L1514-K1519 PolarHBondContact O-NZ 3.26Å; S1515-K1519 WeakPolarHBondContact O-CG 3.44Å; S1515-K1519 PolarHBondContact O-N 3.04Å; D1516-K1519 PolarHBondContact O-N 3.38Å; D1516-K1519 WeakPolarHBondContact OD1-CD 3.35Å; D1516-K1519 IonicContact OD1-NZ 2.68Å; D1516-K1519 PolarHBondContact OD1-NZ 3.33Å; L1517-K1519 VanDerWaalsContact C-N 3.34Å; L1517-K1519 PolarHBondContact O-N 3.37Å; K1519-L1522 PolarHBondContact O-N 3.44Å; K1519-K1523 WeakPolarHBondContact O-CG 3.48Å; K1519-K1523 PolarHBondContact O-N 3.37Å |
| 1520 | M | 83.9 | Confident | 84.1 | Confident | 60 Ų | 60 | 65.4 Ų | 65.4 | 30% | 0.296 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.3 | -48 | 177.9 | 178.2 | -174.7 | 60.9 | 0 | 0 | 111.6 | D1516 L1517 L1522 K1523 K1524 Y1529 | D1516-M1520 WeakPolarHBondContact O-CB 3.29Å; D1516-M1520 PolarHBondContact O-N 3.02Å; L1517-M1520 HydrophobicContact CG-CE 4.34Å; L1517-M1520 PolarHBondContact O-N 2.99Å; M1520-L1522 VanDerWaalsContact C-N 3.29Å; M1520-L1522 PolarHBondContact O-N 3.19Å; M1520-K1523 WeakPolarHBondContact O-CB 3.38Å; M1520-K1523 PolarHBondContact O-N 3.07Å; M1520-K1524 HydrophobicContact CG-CD 3.94Å; M1520-K1524 HydrophobicContact CG-CG 4.46Å; M1520-K1524 WeakPolarHBondContact O-CB 3.41Å; M1520-K1524 WeakPolarHBondContact O-CG 3.15Å; M1520-K1524 PolarHBondContact O-N 2.81Å; M1520-K1524 PolarHBondContact SD-NZ 2.61Å; M1520-Y1529 HydrophobicContact CG-CD2 4.46Å; M1520-Y1529 HydrophobicContact CG-CE2 4.06Å |
| 1521 | D | 85.1 | Confident | 82.5 | Confident | 83 Ų | 83 | 69.1 Ų | 69.1 | 44% | 0.444 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 178.4 | -68.8 | -15.5 | 0 | 0 | 0 | 111.3 | L1517 K1524 S1525 | L1517-D1521 WeakPolarHBondContact CD2-OD2 3.49Å; L1517-D1521 PolarHBondContact O-N 3.37Å; D1521-K1524 PolarHBondContact O-N 3.33Å; D1521-S1525 WeakPolarHBondContact O-CB 3.22Å; D1521-S1525 PolarHBondContact O-N 2.64Å; D1521-S1525 PolarHBondContact O-OG 2.98Å |
| 1522 | L | 86.5 | Confident | 82.1 | Confident | 32 Ų | 32 | 72.4 Ų | 72.4 | 17% | 0.168 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63.6 | -46.6 | 174.4 | -161.5 | 77.1 | 0 | 0 | 0 | 111.5 | L1504 M1506 Y1511 L1514 Q1518 K1519 M1520 K1524 S1525 K1526 | L1504-L1522 HydrophobicContact CB-CD2 4Å; L1504-L1522 HydrophobicContact CD1-CD2 4.47Å; L1504-L1522 HydrophobicContact CD2-CD2 4.02Å; L1504-L1522 HydrophobicContact CD2-CG 4.19Å; L1504-L1522 HydrophobicContact CG-CD2 4.39Å; M1506-L1522 HydrophobicContact CE-CD1 4.06Å; M1506-L1522 HydrophobicContact CE-CD2 3.52Å; M1506-L1522 HydrophobicContact CE-CG 4.47Å; M1506-L1522 HydrophobicContact SD-CD2 3.79Å; Y1511-L1522 HydrophobicContact CD2-CD2 3.73Å; Y1511-L1522 HydrophobicContact CE2-CD2 3.82Å; L1514-L1522 HydrophobicContact CD1-CD2 4.37Å; Q1518-L1522 VanDerWaalsContact O-CB 3.32Å; Q1518-L1522 WeakPolarHBondContact O-CB 3.38Å; Q1518-L1522 PolarHBondContact O-N 3.09Å; K1519-L1522 PolarHBondContact O-N 3.44Å; M1520-L1522 VanDerWaalsContact C-N 3.29Å; M1520-L1522 PolarHBondContact O-N 3.19Å; L1522-K1524 PolarHBondContact O-N 3.15Å; L1522-S1525 PolarHBondContact O-N 3.34Å; L1522-S1525 PolarHBondContact O-OG 3.26Å; L1522-K1526 WeakPolarHBondContact O-CG 3.44Å; L1522-K1526 PolarHBondContact O-N 2.84Å |
| 1523 | K | 87.6 | Confident | 81.9 | Confident | 18 Ų | 18 | 72.6 Ų | 72.6 | 8% | 0.078 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -56.2 | -50.6 | 174.3 | -72.5 | -173.9 | -157.5 | -154.7 | 0 | 111.4 | Q1489 E1492 Y1511 K1519 M1520 S1525 K1526 G1527 L1528 Y1529 | Q1489-K1523 PolarHBondContact O-NZ 3.23Å; E1492-K1523 VanDerWaalsContact CD-CE 3.41Å; E1492-K1523 WeakPolarHBondContact OE1-CE 3.37Å; E1492-K1523 IonicContact OE1-NZ 3.02Å; E1492-K1523 PolarHBondContact OE1-NZ 3.46Å; E1492-K1523 WeakPolarHBondContact OE2-CE 3.39Å; E1492-K1523 IonicContact OE2-NZ 2.71Å; E1492-K1523 PolarHBondContact OE2-NZ 3.47Å; Y1511-K1523 WeakPolarHBondContact OH-CE 3.22Å; K1519-K1523 WeakPolarHBondContact O-CG 3.48Å; K1519-K1523 PolarHBondContact O-N 3.37Å; M1520-K1523 WeakPolarHBondContact O-CB 3.38Å; M1520-K1523 PolarHBondContact O-N 3.07Å; K1523-S1525 PolarHBondContact O-N 3.45Å; K1523-K1526 CarbonylContact O-C 3.57Å; K1523-K1526 PolarHBondContact O-N 3.14Å; K1523-G1527 PolarHBondContact O-N 2.77Å; K1523-L1528 HydrophobicContact CB-CB 4.48Å; K1523-L1528 WeakPolarHBondContact CB-O 3.46Å; K1523-L1528 PolarHBondContact O-N 2.9Å; K1523-Y1529 HydrophobicContact CB-CD2 4.48Å |
| 1524 | K | 84.8 | Confident | 81.5 | Confident | 100 Ų | 100 | 71.2 Ų | 71.2 | 44% | 0.435 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -57.9 | -45.4 | 178.5 | -75.1 | 174.9 | 175.8 | 175.7 | 0 | 111.5 | M1520 D1521 L1522 K1526 G1527 Y1529 | M1520-K1524 HydrophobicContact CG-CD 3.94Å; M1520-K1524 HydrophobicContact CG-CG 4.46Å; M1520-K1524 WeakPolarHBondContact O-CB 3.41Å; M1520-K1524 WeakPolarHBondContact O-CG 3.15Å; M1520-K1524 PolarHBondContact O-N 2.81Å; M1520-K1524 PolarHBondContact SD-NZ 2.61Å; D1521-K1524 PolarHBondContact O-N 3.33Å; L1522-K1524 PolarHBondContact O-N 3.15Å; K1524-K1526 PolarHBondContact O-N 2.95Å; K1524-G1527 PolarHBondContact O-N 2.58Å; K1524-Y1529 HydrophobicContact CD-CD1 4.29Å; K1524-Y1529 HydrophobicContact CD-CE1 4.38Å; K1524-Y1529 VanDerWaalsContact CE-CZ 3.43Å; K1524-Y1529 HydrophobicContact CG-CD1 3.67Å; K1524-Y1529 HydrophobicContact CG-CD2 4.19Å; K1524-Y1529 HydrophobicContact CG-CE1 4.25Å; K1524-Y1529 HydrophobicContact CG-CG 3.63Å |
| 1525 | S | 84.9 | Confident | 81.1 | Confident | 82 Ų | 82 | 72.9 Ų | 72.9 | 57% | 0.573 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -9.6 | 177.4 | 77.8 | 0 | 0 | 0 | 0 | 115.1 | D1521 L1522 K1523 | D1521-S1525 WeakPolarHBondContact O-CB 3.22Å; D1521-S1525 PolarHBondContact O-N 2.64Å; D1521-S1525 PolarHBondContact O-OG 2.98Å; L1522-S1525 PolarHBondContact O-N 3.34Å; L1522-S1525 PolarHBondContact O-OG 3.26Å; K1523-S1525 PolarHBondContact O-N 3.45Å |
| 1526 | K | 82.6 | Confident | 80.7 | Confident | 92 Ų | 92 | 73.8 Ų | 73.8 | 40% | 0.4 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.8 | 4.1 | -175.2 | -62 | -64.6 | -176.6 | 148 | 0 | 114.2 | A1503 L1504 L1522 K1523 K1524 L1528 | A1503-K1526 VanDerWaalsContact O-CD 3.28Å; A1503-K1526 WeakPolarHBondContact O-CD 3.28Å; A1503-K1526 WeakPolarHBondContact O-CE 3.2Å; A1503-K1526 PolarHBondContact O-NZ 3.4Å; L1504-K1526 HydrophobicContact CD2-CB 4.37Å; L1504-K1526 HydrophobicContact CD2-CG 4.07Å; L1522-K1526 WeakPolarHBondContact O-CG 3.44Å; L1522-K1526 PolarHBondContact O-N 2.84Å; K1523-K1526 CarbonylContact O-C 3.57Å; K1523-K1526 PolarHBondContact O-N 3.14Å; K1524-K1526 PolarHBondContact O-N 2.95Å; K1526-L1528 HydrophobicContact CB-CD1 4.27Å; K1526-L1528 HydrophobicContact CB-CG 4.44Å; K1526-L1528 PolarHBondContact O-N 3.01Å |
| 1527 | G | 79 | Confident | 80.4 | Confident | 34 Ų | 34 | 70.7 Ų | 70.7 | 35% | 0.351 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 7.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | R1480 K1523 K1524 Y1529 | R1480-G1527 PolarHBondContact NH2-O 2.7Å; K1523-G1527 PolarHBondContact O-N 2.77Å; K1524-G1527 PolarHBondContact O-N 2.58Å; G1527-Y1529 PolarHBondContact O-N 3.44Å |
| 1528 | L | 79.9 | Confident | 80.2 | Confident | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.005 | 38% | 0.382 | C | S | . | . | trans | -89 | 32.3 | 177.6 | -68.8 | 169.4 | 0 | 0 | 0 | 111.6 | L1474 L1477 L1491 L1495 A1503 L1504 K1523 K1526 | L1474-L1528 HydrophobicContact CD1-CD1 4.29Å; L1474-L1528 HydrophobicContact CD1-CD2 3.93Å; L1474-L1528 HydrophobicContact CD1-CG 4.39Å; L1477-L1528 HydrophobicContact CB-CD2 4.39Å; L1491-L1528 HydrophobicContact CB-CB 4.47Å; L1491-L1528 HydrophobicContact CB-CD2 4.03Å; L1495-L1528 HydrophobicContact CD1-CD1 3.85Å; L1495-L1528 HydrophobicContact CD1-CD2 4.47Å; A1503-L1528 HydrophobicContact CB-CD1 4.22Å; L1504-L1528 HydrophobicContact CD2-CD1 3.8Å; L1504-L1528 HydrophobicContact CG-CD1 4.43Å; K1523-L1528 HydrophobicContact CB-CB 4.48Å; K1523-L1528 WeakPolarHBondContact CB-O 3.46Å; K1523-L1528 PolarHBondContact O-N 2.9Å; K1526-L1528 HydrophobicContact CB-CD1 4.27Å; K1526-L1528 HydrophobicContact CB-CG 4.44Å; K1526-L1528 PolarHBondContact O-N 3.01Å | ||
| 1529 | Y | 73.5 | Confident | 79.6 | Confident | 90 Ų | 90 | 65.2 Ų | 65.2 | 35% | 0.353 | 38% | 0.375 | S | S | . | . | trans | -136.7 | 138.8 | 177.6 | -172.5 | -98.2 | 0 | 0 | 0 | 108.7 | M1520 K1523 K1524 G1527 A1531 | M1520-Y1529 HydrophobicContact CG-CD2 4.46Å; M1520-Y1529 HydrophobicContact CG-CE2 4.06Å; K1523-Y1529 HydrophobicContact CB-CD2 4.48Å; K1524-Y1529 HydrophobicContact CD-CD1 4.29Å; K1524-Y1529 HydrophobicContact CD-CE1 4.38Å; K1524-Y1529 VanDerWaalsContact CE-CZ 3.43Å; K1524-Y1529 HydrophobicContact CG-CD1 3.67Å; K1524-Y1529 HydrophobicContact CG-CD2 4.19Å; K1524-Y1529 HydrophobicContact CG-CE1 4.25Å; K1524-Y1529 HydrophobicContact CG-CG 3.63Å; G1527-Y1529 PolarHBondContact O-N 3.44Å; Y1529-A1531 HydrophobicContact CE1-CB 4.16Å | ||
| 1530 | L | 63.3 | Low | 78.9 | Confident | 65 Ų | 65 | 67.7 Ų | 67.7 | 34% | 0.34 | 39% | 0.394 | S | S | . | . | trans | -114.5 | 140.6 | 163.6 | -88 | 163 | 0 | 0 | 0 | 107.9 | L1482 P1488 | L1482-L1530 HydrophobicContact CD1-CD1 3.56Å; L1482-L1530 HydrophobicContact CG-CD1 4.21Å; P1488-L1530 HydrophobicContact CB-CB 4.29Å; P1488-L1530 HydrophobicContact CB-CD1 3.65Å | ||
| 1531 | A | 55.3 | Low | 78.4 | Confident | 155 Ų | 155 | 68.4 Ų | 68.4 | 100% | 1.281 | 40% | 0.403 | S | S | * | . | trans | -98.1 | 0 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | Y1529 | Y1529-A1531 HydrophobicContact CE1-CB 4.16Š|
Retrieved 1,531 of 1,531 residues in 243.3 ms
(Link to these results)