| 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 | 45.1 | Very low | 57.4 | Low | 235 Ų | 235 | 145.8 Ų | 145.8 | 100% | 1.158 | 73% | 0.727 | S | S | * | * | 0 | 70.8 | 0 | -71.7 | 165.1 | 132 | 0 | 0 | 110.4 | |||||
| 2 | T | 51.1 | Low | 59.4 | Low | 135 Ų | 135 | 137.9 Ų | 137.9 | 83% | 0.828 | 70% | 0.702 | S | S | * | * | trans | -127.4 | 24.6 | -167.6 | 37.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 3 | K | 51 | Low | 61.2 | Low | 187 Ų | 187 | 138.1 Ų | 138.1 | 81% | 0.813 | 70% | 0.695 | S | S | * | * | trans | -100.2 | 4.9 | 178.5 | -73 | -169.7 | 177.3 | -178.5 | 0 | 115.5 | ||||
| 4 | F | 51.8 | Low | 63 | Low | 186 Ų | 186 | 136.4 Ų | 136.4 | 82% | 0.816 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -88.4 | -14.8 | -179.2 | -84 | -81.4 | 0 | 0 | 0 | 115.1 | ||
| 5 | W | 50.6 | Low | 64.6 | Low | 243 Ų | 243 | 133.5 Ų | 133.5 | 92% | 0.92 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -85 | -13.7 | -174.2 | -80 | 76.8 | 0 | 0 | 0 | 115.4 | ||
| 6 | A | 53.4 | Low | 65.9 | Low | 81 Ų | 81 | 136.5 Ų | 136.5 | 67% | 0.669 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -87.4 | -21.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 7 | I | 55.7 | Low | 67 | Low | 109 Ų | 109 | 133 Ų | 133 | 56% | 0.559 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -87.3 | -21.5 | -172 | -57.5 | 171.7 | 0 | 0 | 0 | 112.3 | R9 P10 I11 | I7-R9 PolarHBondContact O-N 3.36Å; I7-P10 VanDerWaalsContact O-CD 3.27Å; I7-P10 WeakPolarHBondContact O-CD 3.38Å; I7-P10 WeakPolarHBondContact O-CG 3.22Å; I7-I11 HydrophobicContact CG2-CD1 4.05Å |
| 8 | G | 56.1 | Low | 67.9 | Low | 47 Ų | 47 | 128.1 Ų | 128.1 | 49% | 0.485 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -70.9 | -29.6 | -177 | 0 | 0 | 0 | 0 | 0 | 114.9 | A12 | G8-A12 PolarHBondContact O-N 2.94Å |
| 9 | R | 61.8 | Low | 68.6 | Low | 219 Ų | 219 | 127.1 Ų | 127.1 | 83% | 0.826 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -67.2 | -46.6 | -176.5 | -121.3 | -179.5 | -177.5 | -167 | 1 | 114.5 | I7 F13 | I7-R9 PolarHBondContact O-N 3.36Å; R9-F13 PolarHBondContact O-N 3.38Å |
| 10 | P | 74.5 | Confident | 69.1 | Low | 70 Ų | 70 | 126.5 Ų | 126.5 | 46% | 0.455 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -67 | -37.6 | 178 | 24.1 | -34 | 0 | 0 | 0 | 112.5 | I7 A12 F13 I14 | I7-P10 VanDerWaalsContact O-CD 3.27Å; I7-P10 WeakPolarHBondContact O-CD 3.38Å; I7-P10 WeakPolarHBondContact O-CG 3.22Å; P10-A12 PolarHBondContact O-N 2.79Å; P10-F13 WeakPolarHBondContact O-CB 3.38Å; P10-F13 PolarHBondContact O-N 3.2Å; P10-I14 WeakPolarHBondContact O-CG1 3.25Å; P10-I14 PolarHBondContact O-N 2.91Å |
| 11 | I | 80.1 | Confident | 69.4 | Low | 92 Ų | 92 | 125.6 Ų | 125.6 | 47% | 0.472 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -63.7 | -45.8 | 180 | -60.5 | 173.6 | 0 | 0 | 0 | 110.5 | I7 F13 I14 I15 | I7-I11 HydrophobicContact CG2-CD1 4.05Å; I11-F13 PolarHBondContact O-N 3.18Å; I11-I14 PolarHBondContact O-N 3.34Å; I11-I15 HydrophobicContact CG2-CD1 3.8Å; I11-I15 HydrophobicContact CG2-CG1 4.43Å; I11-I15 VanDerWaalsContact O-CG1 3.29Å; I11-I15 WeakPolarHBondContact O-CG1 3.37Å; I11-I15 PolarHBondContact O-N 2.73Å |
| 12 | A | 81.2 | Confident | 70.5 | Confident | 51 Ų | 51 | 119.7 Ų | 119.7 | 42% | 0.421 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -61.2 | -34 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G8 P10 R16 | G8-A12 PolarHBondContact O-N 2.94Å; P10-A12 PolarHBondContact O-N 2.79Å; A12-R16 WeakPolarHBondContact O-CG 3.33Å; A12-R16 PolarHBondContact O-N 3.3Å |
| 13 | F | 82.8 | Confident | 71.1 | Confident | 140 Ų | 140 | 116.1 Ų | 116.1 | 61% | 0.614 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -70.2 | -43.8 | 177.6 | -154 | -97.7 | 0 | 0 | 0 | 111.9 | R9 P10 I11 I15 R16 I17 | R9-F13 PolarHBondContact O-N 3.38Å; P10-F13 WeakPolarHBondContact O-CB 3.38Å; P10-F13 PolarHBondContact O-N 3.2Å; I11-F13 PolarHBondContact O-N 3.18Å; F13-I15 VanDerWaalsContact C-N 3.34Å; F13-I15 PolarHBondContact O-N 2.89Å; F13-R16 PolarHBondContact O-N 3.4Å; F13-I17 HydrophobicContact CD1-CD1 3.62Å; F13-I17 HydrophobicContact CD1-CG1 4.28Å; F13-I17 HydrophobicContact CE1-CD1 3.64Å; F13-I17 HydrophobicContact CE1-CG1 4.3Å; F13-I17 WeakPolarHBondContact O-CG1 3.09Å; F13-I17 PolarHBondContact O-N 3.19Å |
| 14 | I | 87.4 | Confident | 71.6 | Confident | 114 Ų | 114 | 110.6 Ų | 110.6 | 59% | 0.585 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62 | -43.2 | 175.7 | -65.6 | 167 | 0 | 0 | 0 | 110.5 | P10 I11 R16 I17 A18 | P10-I14 WeakPolarHBondContact O-CG1 3.25Å; P10-I14 PolarHBondContact O-N 2.91Å; I11-I14 PolarHBondContact O-N 3.34Å; I14-R16 VanDerWaalsContact C-N 3.34Å; I14-R16 PolarHBondContact O-N 3.29Å; I14-I17 PolarHBondContact O-N 3.02Å; I14-A18 WeakPolarHBondContact O-CB 3.36Å; I14-A18 PolarHBondContact O-N 3.43Å |
| 15 | I | 86.8 | Confident | 71.8 | Confident | 93 Ų | 93 | 109.3 Ų | 109.3 | 48% | 0.477 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.9 | -42 | 176.8 | -67.1 | 167.7 | 0 | 0 | 0 | 111 | I11 F13 A18 L19 | I11-I15 HydrophobicContact CG2-CD1 3.8Å; I11-I15 HydrophobicContact CG2-CG1 4.43Å; I11-I15 VanDerWaalsContact O-CG1 3.29Å; I11-I15 WeakPolarHBondContact O-CG1 3.37Å; I11-I15 PolarHBondContact O-N 2.73Å; F13-I15 VanDerWaalsContact C-N 3.34Å; F13-I15 PolarHBondContact O-N 2.89Å; I15-A18 PolarHBondContact O-N 3.17Å; I15-L19 HydrophobicContact CG2-CD1 3.91Å; I15-L19 HydrophobicContact CG2-CG 4.45Å; I15-L19 WeakPolarHBondContact O-CB 3.49Å; I15-L19 WeakPolarHBondContact O-CG 3.35Å; I15-L19 PolarHBondContact O-N 2.95Å |
| 16 | R | 84.7 | Confident | 71.9 | Confident | 182 Ų | 182 | 100.5 Ų | 100.5 | 69% | 0.687 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.6 | -41.8 | 175.8 | -79.6 | -174.7 | -179.4 | -160.7 | 0.3 | 112.4 | A12 F13 I14 L19 L20 | A12-R16 WeakPolarHBondContact O-CG 3.33Å; A12-R16 PolarHBondContact O-N 3.3Å; F13-R16 PolarHBondContact O-N 3.4Å; I14-R16 VanDerWaalsContact C-N 3.34Å; I14-R16 PolarHBondContact O-N 3.29Å; R16-L19 PolarHBondContact O-N 2.04Å; R16-L20 WeakPolarHBondContact O-CB 3.38Å; R16-L20 PolarHBondContact O-N 3.31Å |
| 17 | I | 85.5 | Confident | 71.9 | Confident | 77 Ų | 77 | 103.2 Ų | 103.2 | 40% | 0.395 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64 | -45.2 | 175.6 | -68.6 | 172.8 | 0 | 0 | 0 | 110.1 | F13 I14 L19 L20 L21 | F13-I17 HydrophobicContact CD1-CD1 3.62Å; F13-I17 HydrophobicContact CD1-CG1 4.28Å; F13-I17 HydrophobicContact CE1-CD1 3.64Å; F13-I17 HydrophobicContact CE1-CG1 4.3Å; F13-I17 WeakPolarHBondContact O-CG1 3.09Å; F13-I17 PolarHBondContact O-N 3.19Å; I14-I17 PolarHBondContact O-N 3.02Å; I17-L19 VanDerWaalsContact C-N 3.34Å; I17-L19 PolarHBondContact O-N 3.48Å; I17-L20 WeakPolarHBondContact O-CB 3.35Å; I17-L20 PolarHBondContact O-N 3.17Å; I17-L21 HydrophobicContact CG2-CD1 3.89Å; I17-L21 HydrophobicContact CG2-CG 4.21Å; I17-L21 WeakPolarHBondContact O-CG 3.5Å; I17-L21 PolarHBondContact O-N 3.21Å |
| 18 | A | 83.1 | Confident | 72.1 | Confident | 45 Ų | 45 | 108.1 Ų | 108.1 | 37% | 0.372 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.9 | -42.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | I14 I15 L21 L22 | I14-A18 WeakPolarHBondContact O-CB 3.36Å; I14-A18 PolarHBondContact O-N 3.43Å; I15-A18 PolarHBondContact O-N 3.17Å; A18-L21 PolarHBondContact O-N 3.5Å; A18-L22 WeakPolarHBondContact O-CB 3.15Å; A18-L22 WeakPolarHBondContact O-CG 2.96Å; A18-L22 PolarHBondContact O-N 3.47Å |
| 19 | L | 81.2 | Confident | 72.6 | Confident | 109 Ų | 109 | 107.9 Ų | 107.9 | 57% | 0.571 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64 | -39.1 | 174.3 | -75 | 167.2 | 0 | 0 | 0 | 112.4 | I15 R16 I17 A23 | I15-L19 HydrophobicContact CG2-CD1 3.91Å; I15-L19 HydrophobicContact CG2-CG 4.45Å; I15-L19 WeakPolarHBondContact O-CB 3.49Å; I15-L19 WeakPolarHBondContact O-CG 3.35Å; I15-L19 PolarHBondContact O-N 2.95Å; R16-L19 PolarHBondContact O-N 2.04Å; I17-L19 VanDerWaalsContact C-N 3.34Å; I17-L19 PolarHBondContact O-N 3.48Å; L19-A23 WeakPolarHBondContact O-CB 2.95Å; L19-A23 PolarHBondContact O-N 3.06Å |
| 20 | L | 78.7 | Confident | 73 | Confident | 115 Ų | 115 | 100.2 Ų | 100.2 | 60% | 0.602 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.1 | -41.3 | 173.5 | -90.3 | 155 | 0 | 0 | 0 | 111.9 | R16 I17 A23 C24 | R16-L20 WeakPolarHBondContact O-CB 3.38Å; R16-L20 PolarHBondContact O-N 3.31Å; I17-L20 WeakPolarHBondContact O-CB 3.35Å; I17-L20 PolarHBondContact O-N 3.17Å; L20-A23 CarbonylContact O-C 3.6Å; L20-A23 WeakPolarHBondContact O-CB 2.92Å; L20-A23 PolarHBondContact O-N 3.12Å; L20-C24 WeakPolarHBondContact O-CB 3.45Å; L20-C24 PolarHBondContact O-N 3.2Å; L20-C24 PolarHBondContact O-SG 3.02Å |
| 21 | L | 73.9 | Confident | 73 | Confident | 108 Ų | 108 | 101.1 Ų | 101.1 | 57% | 0.565 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.6 | -41.6 | 177.7 | -70.3 | 174.2 | 0 | 0 | 0 | 111.8 | I17 A18 A23 C24 E25 | I17-L21 HydrophobicContact CG2-CD1 3.89Å; I17-L21 HydrophobicContact CG2-CG 4.21Å; I17-L21 WeakPolarHBondContact O-CG 3.5Å; I17-L21 PolarHBondContact O-N 3.21Å; A18-L21 PolarHBondContact O-N 3.5Å; L21-A23 VanDerWaalsContact C-N 3.28Å; L21-A23 PolarHBondContact O-N 3.07Å; L21-C24 CarbonylContact O-C 3.57Å; L21-C24 WeakPolarHBondContact O-CA 3.2Å; L21-C24 WeakPolarHBondContact O-CB 3.13Å; L21-C24 PolarHBondContact O-N 2.7Å; L21-E25 PolarHBondContact O-N 3.4Å |
| 22 | L | 68.8 | Low | 73 | Confident | 111 Ų | 111 | 98.3 Ų | 98.3 | 58% | 0.581 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.4 | -36.7 | 171.7 | -77.1 | 162.1 | 0 | 0 | 0 | 111.7 | A18 C24 A26 | A18-L22 WeakPolarHBondContact O-CB 3.15Å; A18-L22 WeakPolarHBondContact O-CG 2.96Å; A18-L22 PolarHBondContact O-N 3.47Å; L22-C24 VanDerWaalsContact C-N 3.34Å; L22-A26 PolarHBondContact O-N 2.99Å |
| 23 | A | 64.4 | Low | 72.6 | Confident | 60 Ų | 60 | 99.4 Ų | 99.4 | 50% | 0.496 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.8 | -28.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L19 L20 L21 A26 | L19-A23 WeakPolarHBondContact O-CB 2.95Å; L19-A23 PolarHBondContact O-N 3.06Å; L20-A23 CarbonylContact O-C 3.6Å; L20-A23 WeakPolarHBondContact O-CB 2.92Å; L20-A23 PolarHBondContact O-N 3.12Å; L21-A23 VanDerWaalsContact C-N 3.28Å; L21-A23 PolarHBondContact O-N 3.07Å; A23-A26 CarbonylContact O-C 3.56Å; A23-A26 WeakPolarHBondContact O-CA 3.32Å; A23-A26 WeakPolarHBondContact O-CB 2.99Å; A23-A26 PolarHBondContact O-N 2.98Å |
| 24 | C | 60.6 | Low | 71.9 | Confident | 70 Ų | 70 | 96.9 Ų | 96.9 | 47% | 0.473 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -74.4 | -35.7 | 175.3 | -77 | 0 | 0 | 0 | 0 | 112.8 | L20 L21 L22 A26 L27 | L20-C24 WeakPolarHBondContact O-CB 3.45Å; L20-C24 PolarHBondContact O-N 3.2Å; L20-C24 PolarHBondContact O-SG 3.02Å; L21-C24 CarbonylContact O-C 3.57Å; L21-C24 WeakPolarHBondContact O-CA 3.2Å; L21-C24 WeakPolarHBondContact O-CB 3.13Å; L21-C24 PolarHBondContact O-N 2.7Å; L22-C24 VanDerWaalsContact C-N 3.34Å; C24-A26 PolarHBondContact O-N 2.82Å; C24-L27 WeakPolarHBondContact O-CB 3.38Å; C24-L27 PolarHBondContact O-N 2.94Å |
| 25 | E | 56.2 | Low | 71.1 | Confident | 160 Ų | 160 | 92.8 Ų | 92.8 | 75% | 0.748 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.4 | -23.7 | 168 | -78.2 | -174.7 | 158.7 | 0 | 0 | 111.5 | L21 L27 | L21-E25 PolarHBondContact O-N 3.4Å; E25-L27 PolarHBondContact O-N 3.11Å |
| 26 | A | 53.5 | Low | 70.4 | Confident | 57 Ų | 57 | 89.2 Ų | 89.2 | 47% | 0.471 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 11.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L22 A23 C24 R28 | L22-A26 PolarHBondContact O-N 2.99Å; A23-A26 CarbonylContact O-C 3.56Å; A23-A26 WeakPolarHBondContact O-CA 3.32Å; A23-A26 WeakPolarHBondContact O-CB 2.99Å; A23-A26 PolarHBondContact O-N 2.98Å; C24-A26 PolarHBondContact O-N 2.82Å; A26-R28 PolarHBondContact O-N 2.04Å |
| 27 | L | 52.5 | Low | 70.1 | Confident | 139 Ų | 139 | 82.7 Ų | 82.7 | 73% | 0.728 | 46% | 0.461 | S | S | * | . | trans | -67 | 58 | 149.8 | -92.2 | 98.8 | 0 | 0 | 0 | 109.1 | C24 E25 F29 | C24-L27 WeakPolarHBondContact O-CB 3.38Å; C24-L27 PolarHBondContact O-N 2.94Å; E25-L27 PolarHBondContact O-N 3.11Å; L27-F29 PolarHBondContact O-N 2.84Å | ||
| 28 | R | 60.9 | Low | 69.1 | Low | 211 Ų | 211 | 81.2 Ų | 81.2 | 80% | 0.796 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -53.2 | 135.7 | 167.9 | -75.2 | 177.7 | 175.6 | 165 | -1.5 | 106.6 | A26 | A26-R28 PolarHBondContact O-N 2.04Š|
| 29 | F | 65.8 | Low | 68.6 | Low | 43 Ų | 43 | 82.2 Ų | 82.2 | 19% | 0.189 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -50.2 | 129.9 | 168.9 | -169.1 | -101 | 0 | 0 | 0 | 108.7 | L27 V35 R44 M45 Q48 C49 | L27-F29 PolarHBondContact O-N 2.84Å; F29-V35 HydrophobicContact CE1-CG2 3.98Å; F29-V35 HydrophobicContact CZ-CG2 4.16Å; F29-R44 HydrophobicContact CD2-CG 4.12Å; F29-R44 HydrophobicContact CE2-CG 3.75Å; F29-M45 HydrophobicContact CE1-SD 3.66Å; F29-M45 HydrophobicContact CZ-SD 3.6Å; F29-Q48 HydrophobicContact CD1-CB 3.98Å; F29-Q48 HydrophobicContact CE1-CB 4.34Å; F29-Q48 HydrophobicContact CG-CB 4.16Å; F29-C49 WeakPolarHBondContact CE1-SG 3.43Å |
| 30 | P | 71.5 | Confident | 68.4 | Low | 58 Ų | 58 | 77.8 Ų | 77.8 | 38% | 0.377 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 149.8 | -179.5 | 21.2 | -31.4 | 0 | 0 | 0 | 110.1 | C32 Y34 V35 | P30-C32 PolarHBondContact O-N 2.93Å; P30-Y34 HydrophobicContact CB-CD1 4.26Å; P30-V35 HydrophobicContact CB-CG2 4.14Å; P30-V35 HydrophobicContact CG-CG2 3.59Å |
| 31 | P | 74.6 | Confident | 68 | Low | 89 Ų | 89 | 74.7 Ų | 74.7 | 58% | 0.578 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -50.6 | 136.2 | 179.3 | -24.3 | 31.8 | 0 | 0 | 0 | 111.1 | S33 Y34 V35 | P31-S33 PolarHBondContact O-N 3.39Å; P31-S33 VanDerWaalsContact O-N 3.07Å; P31-Y34 WeakPolarHBondContact O-CA 3.4Å; P31-Y34 WeakPolarHBondContact O-CB 3.48Å; P31-Y34 PolarHBondContact O-N 3.39Å; P31-V35 PolarHBondContact O-N 3.03Å |
| 32 | C | 78.9 | Confident | 67.9 | Low | 32 Ų | 32 | 72.6 Ų | 72.6 | 22% | 0.216 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -55 | -33.9 | -173.2 | -54.1 | 0 | 0 | 0 | 0 | 113.6 | P30 Y34 V35 G36 M45 C49 F52 | P30-C32 PolarHBondContact O-N 2.93Å; C32-Y34 VanDerWaalsContact C-N 3.31Å; C32-Y34 PolarHBondContact O-N 2.91Å; C32-V35 PolarHBondContact O-N 3.1Å; C32-G36 PolarHBondContact O-N 3.12Å; C32-M45 HydrophobicContact CB-CE 4.14Å; C32-C49 WeakPolarHBondContact CA-SG 3.38Å; C32-C49 HydrophobicContact CB-CB 3.59Å; C32-C49 WeakPolarHBondContact CB-SG 3.31Å; C32-C49 WeakPolarHBondContact SG-CA 3.36Å; C32-C49 WeakPolarHBondContact SG-CB 3.3Å; C32-C49 CovalentContact SG-SG 2.01Å; C32-C49 PolarHBondContact SG-SG 2.93Å; C32-F52 HydrophobicContact CB-CB 3.54Å; C32-F52 HydrophobicContact CB-CD1 4Å; C32-F52 HydrophobicContact CB-CD2 4.03Å; C32-F52 HydrophobicContact CB-CG 3.58Å; C32-F52 WeakPolarHBondContact O-CE1 3.31Å |
| 33 | S | 72.5 | Confident | 68.1 | Low | 74 Ų | 74 | 76.7 Ų | 76.7 | 52% | 0.517 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.8 | -33.2 | 174.6 | 49.8 | 0 | 0 | 0 | 0 | 113.6 | P31 | P31-S33 PolarHBondContact O-N 3.39Å; P31-S33 VanDerWaalsContact O-N 3.07Å |
| 34 | Y | 68.3 | Low | 68.6 | Low | 88 Ų | 88 | 81 Ų | 81 | 35% | 0.345 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -77 | -32.8 | 179.9 | -173.4 | -97.6 | 0 | 0 | 0 | 112.6 | P30 P31 C32 K198 | P30-Y34 HydrophobicContact CB-CD1 4.26Å; P31-Y34 WeakPolarHBondContact O-CA 3.4Å; P31-Y34 WeakPolarHBondContact O-CB 3.48Å; P31-Y34 PolarHBondContact O-N 3.39Å; C32-Y34 VanDerWaalsContact C-N 3.31Å; C32-Y34 PolarHBondContact O-N 2.91Å; Y34-K198 PolarHBondContact O-NZ 2.85Å |
| 35 | V | 71 | Confident | 69.4 | Low | 27 Ų | 27 | 77.8 Ų | 77.8 | 16% | 0.164 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -72.3 | -42.7 | 174.3 | -174.2 | 0 | 0 | 0 | 0 | 110.2 | F29 P30 P31 C32 Y39 M45 | F29-V35 HydrophobicContact CE1-CG2 3.98Å; F29-V35 HydrophobicContact CZ-CG2 4.16Å; P30-V35 HydrophobicContact CB-CG2 4.14Å; P30-V35 HydrophobicContact CG-CG2 3.59Å; P31-V35 PolarHBondContact O-N 3.03Å; C32-V35 PolarHBondContact O-N 3.1Å; V35-Y39 HydrophobicContact CG1-CD2 3.65Å; V35-Y39 HydrophobicContact CG1-CG 3.77Å; V35-Y39 WeakPolarHBondContact O-CD2 2.88Å; V35-M45 HydrophobicContact CB-CE 3.83Å; V35-M45 HydrophobicContact CB-SD 3.94Å; V35-M45 HydrophobicContact CG1-CE 4Å; V35-M45 HydrophobicContact CG1-SD 3.68Å; V35-M45 HydrophobicContact CG2-SD 4.39Å |
| 36 | G | 72.2 | Confident | 70.4 | Confident | 18 Ų | 18 | 75.6 Ų | 75.6 | 19% | 0.186 | 40% | 0.402 | C | S | . | . | trans | 78 | 171.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | C32 G38 Y39 | C32-G36 PolarHBondContact O-N 3.12Å; G36-G38 VanDerWaalsContact C-N 3.26Å; G36-G38 PolarHBondContact O-N 3.32Å; G36-Y39 PolarHBondContact O-N 2.94Å | ||
| 37 | C | 77.5 | Confident | 71.7 | Confident | 46 Ų | 46 | 78.8 Ų | 78.8 | 31% | 0.311 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -64.8 | -23.9 | -169.6 | -65.1 | 0 | 0 | 0 | 0 | 115.1 | Y39 C40 C57 | C37-Y39 PolarHBondContact O-N 3.1Å; C37-C40 WeakPolarHBondContact O-CB 3.27Å; C37-C40 PolarHBondContact O-N 2.85Å; C37-C57 WeakPolarHBondContact CA-SG 3.49Å; C37-C57 HydrophobicContact CB-CB 3.59Å; C37-C57 WeakPolarHBondContact CB-SG 3.26Å; C37-C57 WeakPolarHBondContact SG-CA 3.35Å; C37-C57 WeakPolarHBondContact SG-CB 3.39Å; C37-C57 CovalentContact SG-SG 2.03Å; C37-C57 PolarHBondContact SG-SG 2.99Å |
| 38 | G | 65.9 | Low | 73.1 | Confident | 45 Ų | 45 | 77.1 Ų | 77.1 | 46% | 0.464 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -62.2 | -16.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | G36 | G36-G38 VanDerWaalsContact C-N 3.26Å; G36-G38 PolarHBondContact O-N 3.32Å |
| 39 | Y | 71.1 | Confident | 74.3 | Confident | 67 Ų | 67 | 67.3 Ų | 67.3 | 26% | 0.263 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -106.2 | 1.4 | -178.9 | -64.8 | -90.4 | 0 | 0 | 0 | 113.9 | V35 G36 C37 G41 T42 M45 D197 | V35-Y39 HydrophobicContact CG1-CD2 3.65Å; V35-Y39 HydrophobicContact CG1-CG 3.77Å; V35-Y39 WeakPolarHBondContact O-CD2 2.88Å; G36-Y39 PolarHBondContact O-N 2.94Å; C37-Y39 PolarHBondContact O-N 3.1Å; Y39-G41 PolarHBondContact O-N 3.26Å; Y39-T42 HydrophobicContact CD1-CG2 4.35Å; Y39-T42 WeakPolarHBondContact O-CB 3.43Å; Y39-T42 PolarHBondContact O-N 3.45Å; Y39-T42 PolarHBondContact O-OG1 2.98Å; Y39-M45 WeakPolarHBondContact O-CB 3.02Å; Y39-D197 PolarHBondContact OH-O 3.29Å |
| 40 | C | 77.6 | Confident | 75.1 | Confident | 16 Ų | 16 | 68.7 Ų | 68.7 | 11% | 0.108 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -16.3 | 179.8 | -71.3 | 0 | 0 | 0 | 0 | 114.1 | C37 T42 K46 C53 | C37-C40 WeakPolarHBondContact O-CB 3.27Å; C37-C40 PolarHBondContact O-N 2.85Å; C40-T42 VanDerWaalsContact C-N 3.34Å; C40-K46 WeakPolarHBondContact O-CE 3.09Å; C40-K46 VanDerWaalsContact O-CG 3.28Å; C40-K46 WeakPolarHBondContact O-CG 3.42Å; C40-C53 WeakPolarHBondContact CA-SG 3.44Å; C40-C53 HydrophobicContact CB-CB 3.67Å; C40-C53 WeakPolarHBondContact CB-SG 3.47Å; C40-C53 WeakPolarHBondContact SG-CA 3.43Å; C40-C53 WeakPolarHBondContact SG-CB 3.34Å; C40-C53 CovalentContact SG-SG 2.03Å; C40-C53 PolarHBondContact SG-SG 3.06Å |
| 41 | G | 69.9 | Low | 75.6 | Confident | 50 Ų | 50 | 71.9 Ų | 71.9 | 52% | 0.515 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -17.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y39 | Y39-G41 PolarHBondContact O-N 3.26Š|
| 42 | T | 72.9 | Confident | 75.9 | Confident | 64 Ų | 64 | 69.3 Ų | 69.3 | 39% | 0.393 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -81.8 | 144.7 | -177 | 70.2 | 0 | 0 | 0 | 0 | 112 | Y39 C40 R44 M45 K46 | Y39-T42 HydrophobicContact CD1-CG2 4.35Å; Y39-T42 WeakPolarHBondContact O-CB 3.43Å; Y39-T42 PolarHBondContact O-N 3.45Å; Y39-T42 PolarHBondContact O-OG1 2.98Å; C40-T42 VanDerWaalsContact C-N 3.34Å; T42-R44 VanDerWaalsContact C-N 3.34Å; T42-R44 PolarHBondContact O-N 3.39Å; T42-M45 PolarHBondContact O-N 3.05Å; T42-M45 VanDerWaalsContact OG1-CB 3.3Å; T42-M45 WeakPolarHBondContact OG1-CB 3.42Å; T42-M45 PolarHBondContact OG1-N 2.87Å; T42-K46 PolarHBondContact O-N 3.21Å |
| 43 | R | 73.4 | Confident | 76 | Confident | 196 Ų | 196 | 68.6 Ų | 68.6 | 74% | 0.74 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -54.2 | -48.2 | -179.7 | -178.5 | 177.4 | 174.9 | 173 | 2.5 | 112.4 | M45 K46 E47 | R43-M45 VanDerWaalsContact C-N 3.35Å; R43-M45 PolarHBondContact O-N 3.37Å; R43-K46 PolarHBondContact O-N 3.38Å; R43-E47 WeakPolarHBondContact CG-OE1 3.24Å; R43-E47 IonicContact CZ-OE1 3.91Å; R43-E47 IonicContact NE-OE1 2.8Å; R43-E47 PolarHBondContact NE-OE1 3.15Å; R43-E47 IonicContact NH2-OE1 3.47Å; R43-E47 WeakPolarHBondContact O-CG 3.26Å; R43-E47 PolarHBondContact O-N 3.39Å |
| 44 | R | 73.9 | Confident | 76.4 | Confident | 152 Ų | 152 | 71.9 Ų | 71.9 | 57% | 0.574 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -62.9 | -38.4 | -177.6 | -166.2 | 175.8 | -178.4 | 169.4 | 1.3 | 112.9 | F29 T42 E47 Q48 | F29-R44 HydrophobicContact CD2-CG 4.12Å; F29-R44 HydrophobicContact CE2-CG 3.75Å; T42-R44 VanDerWaalsContact C-N 3.34Å; T42-R44 PolarHBondContact O-N 3.39Å; R44-E47 PolarHBondContact O-N 2.74Å; R44-Q48 PolarHBondContact O-N 3.38Å; R44-Q48 VanDerWaalsContact O-N 3.14Å |
| 45 | M | 77.8 | Confident | 76.7 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.005 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -71.3 | -38.6 | 176.5 | -167.6 | 72.1 | 174.7 | 0 | 0 | 111.6 | F29 C32 V35 Y39 T42 R43 E47 Q48 C49 F52 | F29-M45 HydrophobicContact CE1-SD 3.66Å; F29-M45 HydrophobicContact CZ-SD 3.6Å; C32-M45 HydrophobicContact CB-CE 4.14Å; V35-M45 HydrophobicContact CB-CE 3.83Å; V35-M45 HydrophobicContact CB-SD 3.94Å; V35-M45 HydrophobicContact CG1-CE 4Å; V35-M45 HydrophobicContact CG1-SD 3.68Å; V35-M45 HydrophobicContact CG2-SD 4.39Å; Y39-M45 WeakPolarHBondContact O-CB 3.02Å; T42-M45 PolarHBondContact O-N 3.05Å; T42-M45 VanDerWaalsContact OG1-CB 3.3Å; T42-M45 WeakPolarHBondContact OG1-CB 3.42Å; T42-M45 PolarHBondContact OG1-N 2.87Å; R43-M45 VanDerWaalsContact C-N 3.35Å; R43-M45 PolarHBondContact O-N 3.37Å; M45-E47 VanDerWaalsContact C-N 3.3Å; M45-E47 PolarHBondContact O-N 3.12Å; M45-Q48 PolarHBondContact O-N 2.85Å; M45-C49 HydrophobicContact CE-CB 3.51Å; M45-C49 HydrophobicContact CG-CB 3.97Å; M45-C49 CarbonylContact O-C 3.56Å; M45-C49 VanDerWaalsContact O-CA 3.29Å; M45-C49 WeakPolarHBondContact O-CA 3.49Å; M45-C49 VanDerWaalsContact O-CB 3.3Å; M45-C49 WeakPolarHBondContact O-CB 3.46Å; M45-C49 PolarHBondContact O-N 2.97Å; M45-C49 HydrophobicContact SD-CB 3.53Å; M45-C49 VanDerWaalsContact SD-CB 3.53Å; M45-C49 VanDerWaalsContact SD-SG 3.68Å; M45-F52 HydrophobicContact CE-CD1 3.94Å; M45-F52 HydrophobicContact CE-CE1 4.27Å |
| 46 | K | 77.5 | Confident | 76.7 | Confident | 114 Ų | 114 | 77.2 Ų | 77.2 | 50% | 0.496 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.9 | -38.8 | 173.5 | -73.4 | -175.3 | 174.4 | -175.6 | 0 | 111.9 | C40 T42 R43 D50 | C40-K46 WeakPolarHBondContact O-CE 3.09Å; C40-K46 VanDerWaalsContact O-CG 3.28Å; C40-K46 WeakPolarHBondContact O-CG 3.42Å; T42-K46 PolarHBondContact O-N 3.21Å; R43-K46 PolarHBondContact O-N 3.38Å; K46-D50 WeakPolarHBondContact O-CB 3.37Å |
| 47 | E | 80.6 | Confident | 76.4 | Confident | 125 Ų | 125 | 77.2 Ų | 77.2 | 58% | 0.584 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -70.5 | -35.1 | 179 | -72.8 | 168.9 | -177.5 | 0 | 0 | 112.8 | R43 R44 M45 | R43-E47 WeakPolarHBondContact CG-OE1 3.24Å; R43-E47 IonicContact CZ-OE1 3.91Å; R43-E47 IonicContact NE-OE1 2.8Å; R43-E47 PolarHBondContact NE-OE1 3.15Å; R43-E47 IonicContact NH2-OE1 3.47Å; R43-E47 WeakPolarHBondContact O-CG 3.26Å; R43-E47 PolarHBondContact O-N 3.39Å; R44-E47 PolarHBondContact O-N 2.74Å; M45-E47 VanDerWaalsContact C-N 3.3Å; M45-E47 PolarHBondContact O-N 3.12Å |
| 48 | Q | 82 | Confident | 75.7 | Confident | 104 Ų | 104 | 79 Ų | 79 | 49% | 0.486 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -109.1 | -15.3 | -170.9 | -61.7 | -169.6 | -60.8 | 0 | 0 | 115 | F29 R44 M45 | F29-Q48 HydrophobicContact CD1-CB 3.98Å; F29-Q48 HydrophobicContact CE1-CB 4.34Å; F29-Q48 HydrophobicContact CG-CB 4.16Å; R44-Q48 PolarHBondContact O-N 3.38Å; R44-Q48 VanDerWaalsContact O-N 3.14Å; M45-Q48 PolarHBondContact O-N 2.85Å |
| 49 | C | 85.5 | Confident | 75.3 | Confident | 4 Ų | 4 | 83.9 Ų | 83.9 | 3% | 0.027 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -139.6 | 24.1 | -170.1 | -70.2 | 0 | 0 | 0 | 0 | 113.8 | F29 C32 M45 T51 F52 C53 | F29-C49 WeakPolarHBondContact CE1-SG 3.43Å; C32-C49 WeakPolarHBondContact CA-SG 3.38Å; C32-C49 HydrophobicContact CB-CB 3.59Å; C32-C49 WeakPolarHBondContact CB-SG 3.31Å; C32-C49 WeakPolarHBondContact SG-CA 3.36Å; C32-C49 WeakPolarHBondContact SG-CB 3.3Å; C32-C49 CovalentContact SG-SG 2.01Å; C32-C49 PolarHBondContact SG-SG 2.93Å; M45-C49 HydrophobicContact CE-CB 3.51Å; M45-C49 HydrophobicContact CG-CB 3.97Å; M45-C49 CarbonylContact O-C 3.56Å; M45-C49 VanDerWaalsContact O-CA 3.29Å; M45-C49 WeakPolarHBondContact O-CA 3.49Å; M45-C49 VanDerWaalsContact O-CB 3.3Å; M45-C49 WeakPolarHBondContact O-CB 3.46Å; M45-C49 PolarHBondContact O-N 2.97Å; M45-C49 HydrophobicContact SD-CB 3.53Å; M45-C49 VanDerWaalsContact SD-CB 3.53Å; M45-C49 VanDerWaalsContact SD-SG 3.68Å; C49-T51 VanDerWaalsContact C-N 3.32Å; C49-T51 PolarHBondContact O-N 3.47Å; C49-F52 HydrophobicContact CB-CB 4.44Å; C49-F52 WeakPolarHBondContact O-CB 3.46Å; C49-F52 PolarHBondContact O-N 3.06Å; C49-F52 VanDerWaalsContact O-N 3.09Å; C49-C53 PolarHBondContact O-N 3.19Å; C49-C53 PolarHBondContact O-SG 3.12Å |
| 50 | D | 82.6 | Confident | 74.4 | Confident | 73 Ų | 73 | 85.3 Ų | 85.3 | 39% | 0.39 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -52.9 | -47.6 | -178.4 | -164.3 | 33.4 | 0 | 0 | 0 | 112.4 | K46 F52 C53 Q54 | K46-D50 WeakPolarHBondContact O-CB 3.37Å; D50-F52 VanDerWaalsContact C-N 3.3Å; D50-F52 PolarHBondContact O-N 3.33Å; D50-C53 CarbonylContact O-C 3.58Å; D50-C53 WeakPolarHBondContact O-CA 3.18Å; D50-C53 WeakPolarHBondContact O-CB 3.38Å; D50-C53 PolarHBondContact O-N 2.83Å; D50-Q54 WeakPolarHBondContact O-CG 3.38Å; D50-Q54 PolarHBondContact O-N 3.43Å; D50-Q54 PolarHBondContact OD1-NE2 3.35Å; D50-Q54 PolarHBondContact OD2-NE2 2.91Å |
| 51 | T | 81.4 | Confident | 72.7 | Confident | 124 Ų | 124 | 93 Ų | 93 | 76% | 0.761 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -59.7 | -39.5 | 179.2 | -43.7 | 0 | 0 | 0 | 0 | 112.7 | C49 G55 | C49-T51 VanDerWaalsContact C-N 3.32Å; C49-T51 PolarHBondContact O-N 3.47Å; T51-G55 PolarHBondContact O-N 2.97Å |
| 52 | F | 82.4 | Confident | 71.4 | Confident | 35 Ų | 35 | 94.7 Ų | 94.7 | 15% | 0.154 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -65.3 | -45.1 | 174.9 | 172.8 | -91.5 | 0 | 0 | 0 | 110.7 | C32 M45 C49 D50 K56 | C32-F52 HydrophobicContact CB-CB 3.54Å; C32-F52 HydrophobicContact CB-CD1 4Å; C32-F52 HydrophobicContact CB-CD2 4.03Å; C32-F52 HydrophobicContact CB-CG 3.58Å; C32-F52 WeakPolarHBondContact O-CE1 3.31Å; M45-F52 HydrophobicContact CE-CD1 3.94Å; M45-F52 HydrophobicContact CE-CE1 4.27Å; C49-F52 HydrophobicContact CB-CB 4.44Å; C49-F52 WeakPolarHBondContact O-CB 3.46Å; C49-F52 PolarHBondContact O-N 3.06Å; C49-F52 VanDerWaalsContact O-N 3.09Å; D50-F52 VanDerWaalsContact C-N 3.3Å; D50-F52 PolarHBondContact O-N 3.33Å; F52-K56 HydrophobicContact CD2-CB 4.38Å; F52-K56 HydrophobicContact CD2-CD 3.92Å; F52-K56 HydrophobicContact CD2-CG 4.5Å; F52-K56 HydrophobicContact CE2-CB 4.22Å; F52-K56 HydrophobicContact CE2-CD 3.82Å; F52-K56 PolarHBondContact O-N 3.45Å |
| 53 | C | 81.2 | Confident | 69.6 | Low | 18 Ų | 18 | 100.4 Ų | 100.4 | 12% | 0.122 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -65.3 | -37.2 | -179.3 | -70.8 | 0 | 0 | 0 | 0 | 113.3 | C40 C49 D50 C57 | C40-C53 WeakPolarHBondContact CA-SG 3.44Å; C40-C53 HydrophobicContact CB-CB 3.67Å; C40-C53 WeakPolarHBondContact CB-SG 3.47Å; C40-C53 WeakPolarHBondContact SG-CA 3.43Å; C40-C53 WeakPolarHBondContact SG-CB 3.34Å; C40-C53 CovalentContact SG-SG 2.03Å; C40-C53 PolarHBondContact SG-SG 3.06Å; C49-C53 PolarHBondContact O-N 3.19Å; C49-C53 PolarHBondContact O-SG 3.12Å; D50-C53 CarbonylContact O-C 3.58Å; D50-C53 WeakPolarHBondContact O-CA 3.18Å; D50-C53 WeakPolarHBondContact O-CB 3.38Å; D50-C53 PolarHBondContact O-N 2.83Å; C53-C57 WeakPolarHBondContact O-CB 3.26Å |
| 54 | Q | 79.8 | Confident | 67.7 | Low | 143 Ų | 143 | 100.4 Ų | 100.4 | 67% | 0.668 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -79.2 | -35.5 | 178.6 | -67.2 | 178.7 | 9 | 0 | 0 | 112.7 | D50 | D50-Q54 WeakPolarHBondContact O-CG 3.38Å; D50-Q54 PolarHBondContact O-N 3.43Å; D50-Q54 PolarHBondContact OD1-NE2 3.35Å; D50-Q54 PolarHBondContact OD2-NE2 2.91Å |
| 55 | G | 74.2 | Confident | 65.7 | Low | 68 Ų | 68 | 99.2 Ų | 99.2 | 70% | 0.701 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -93 | -30.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | T51 | T51-G55 PolarHBondContact O-N 2.97Å |
| 56 | K | 71.7 | Confident | 63.5 | Low | 159 Ų | 159 | 104.1 Ų | 104.1 | 69% | 0.691 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.3 | -19.4 | -173.6 | -67.7 | -168.4 | 177 | -172.6 | 0 | 114.4 | F52 | F52-K56 HydrophobicContact CD2-CB 4.38Å; F52-K56 HydrophobicContact CD2-CD 3.92Å; F52-K56 HydrophobicContact CD2-CG 4.5Å; F52-K56 HydrophobicContact CE2-CB 4.22Å; F52-K56 HydrophobicContact CE2-CD 3.82Å; F52-K56 PolarHBondContact O-N 3.45Å |
| 57 | C | 66.3 | Low | 61.2 | Low | 17 Ų | 17 | 105 Ų | 105 | 12% | 0.115 | 57% | 0.569 | C | S | . | * | S | Bend | trans | -92.5 | 129.6 | -177.4 | -57.4 | 0 | 0 | 0 | 0 | 109.6 | C37 C53 N59 | C37-C57 WeakPolarHBondContact CA-SG 3.49Å; C37-C57 HydrophobicContact CB-CB 3.59Å; C37-C57 WeakPolarHBondContact CB-SG 3.26Å; C37-C57 WeakPolarHBondContact SG-CA 3.35Å; C37-C57 WeakPolarHBondContact SG-CB 3.39Å; C37-C57 CovalentContact SG-SG 2.03Å; C37-C57 PolarHBondContact SG-SG 2.99Å; C53-C57 WeakPolarHBondContact O-CB 3.26Å; C57-N59 PolarHBondContact O-N 2.82Å |
| 58 | P | 62.8 | Low | 58.8 | Low | 85 Ų | 85 | 109.9 Ų | 109.9 | 55% | 0.552 | 58% | 0.584 | S | S | * | * | trans | -54.5 | 138.6 | 167.9 | 6.9 | -5.6 | 0 | 0 | 0 | 107.8 | I60 | P58-I60 HydrophobicContact CB-CD1 4.2Å; P58-I60 HydrophobicContact CB-CG1 4.17Å; P58-I60 HydrophobicContact CG-CD1 3.95Å; P58-I60 HydrophobicContact CG-CG1 4.46Å; P58-I60 VanDerWaalsContact O-CG1 3.31Å; P58-I60 WeakPolarHBondContact O-CG1 2.96Å; P58-I60 PolarHBondContact O-N 3.22Å | ||
| 59 | N | 56.6 | Low | 56.4 | Low | 146 Ų | 146 | 110.1 Ų | 110.1 | 78% | 0.781 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -67.5 | 71.4 | -170.8 | -147.8 | -9 | 0 | 0 | 0 | 110.2 | C57 | C57-N59 PolarHBondContact O-N 2.82Š|
| 60 | I | 52.5 | Low | 53.9 | Low | 97 Ų | 97 | 118.6 Ų | 118.6 | 50% | 0.497 | 64% | 0.642 | S | S | . | * | trans | -91.1 | -17.7 | -172.1 | -60.2 | 162.2 | 0 | 0 | 0 | 110.6 | P58 | P58-I60 HydrophobicContact CB-CD1 4.2Å; P58-I60 HydrophobicContact CB-CG1 4.17Å; P58-I60 HydrophobicContact CG-CD1 3.95Å; P58-I60 HydrophobicContact CG-CG1 4.46Å; P58-I60 VanDerWaalsContact O-CG1 3.31Å; P58-I60 WeakPolarHBondContact O-CG1 2.96Å; P58-I60 PolarHBondContact O-N 3.22Å | ||
| 61 | Y | 42.8 | Very low | 51.4 | Low | 177 Ų | 177 | 119 Ų | 119 | 69% | 0.694 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -142.1 | 23.8 | -168.9 | -67.8 | -70.3 | 0 | 0 | 0 | 116.8 | ||
| 62 | S | 40.8 | Very low | 48.9 | Very low | 86 Ų | 86 | 123.2 Ų | 123.2 | 60% | 0.601 | 66% | 0.664 | S | S | * | * | trans | -98.8 | 92.2 | 154.7 | 177.6 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 63 | E | 36.8 | Very low | 46.7 | Very low | 185 Ų | 185 | 130.1 Ų | 130.1 | 86% | 0.864 | 70% | 0.696 | S | S | * | * | S | Bend | -169.6 | 154.6 | 83.7 | -139.9 | 165.8 | 174.3 | 0 | 0 | 109.7 | |||
| 64 | K | 33.2 | Very low | 44.6 | Very low | 196 Ų | 196 | 134 Ų | 134 | 85% | 0.852 | 72% | 0.721 | S | S | * | * | trans | -60.2 | 142.9 | -175.2 | -71.6 | 167.4 | 175.4 | 171.3 | 0 | 112.3 | S66 | K64-S66 PolarHBondContact O-N 3.17Š| ||
| 65 | S | 32.1 | Very low | 42.1 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 89% | 0.888 | 73% | 0.732 | S | S | * | * | trans | -22.5 | 109.1 | 156.1 | -44.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 66 | S | 31.2 | Very low | 39.9 | Very low | 104 Ų | 104 | 141.4 Ų | 141.4 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | trans | -154.7 | 102.4 | 147.6 | 59.6 | 0 | 0 | 0 | 0 | 110.3 | K64 | K64-S66 PolarHBondContact O-N 3.17Š| ||
| 67 | V | 28 | Very low | 38.3 | Very low | 131 Ų | 131 | 138.8 Ų | 138.8 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | trans | 45.9 | 100.3 | 140.2 | -168.1 | 0 | 0 | 0 | 0 | 117 | S69 | V67-S69 PolarHBondContact O-N 3.49Š| ||
| 68 | Y | 31.3 | Very low | 37 | Very low | 229 Ų | 229 | 144.7 Ų | 144.7 | 90% | 0.898 | 77% | 0.771 | S | S | * | * | trans | 23 | 97 | 131.6 | -145.3 | -88.9 | 0 | 0 | 0 | 116 | ||||
| 69 | S | 30.6 | Very low | 35.7 | Very low | 109 Ų | 109 | 146.7 Ų | 146.7 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | -166.1 | 122.2 | 151.9 | -77.2 | 0 | 0 | 0 | 0 | 110.3 | V67 A71 | V67-S69 PolarHBondContact O-N 3.49Å; S69-A71 PolarHBondContact O-N 3.24Å; S69-A71 VanDerWaalsContact O-N 3.13Å | ||
| 70 | N | 34.7 | Very low | 34.9 | Very low | 181 Ų | 181 | 145.5 Ų | 145.5 | 97% | 0.968 | 77% | 0.772 | S | S | * | * | trans | -18.6 | 106.2 | 159.7 | -95.2 | -46.2 | 0 | 0 | 0 | 114.3 | ||||
| 71 | A | 30.1 | Very low | 34.5 | Very low | 82 Ų | 82 | 150 Ų | 150 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | trans | -145.6 | 118.6 | 160.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | S69 H73 | S69-A71 PolarHBondContact O-N 3.24Å; S69-A71 VanDerWaalsContact O-N 3.13Å; A71-H73 PolarHBondContact O-N 3.41Å; A71-H73 VanDerWaalsContact O-N 3.13Å | ||
| 72 | K | 28.3 | Very low | 34.7 | Very low | 213 Ų | 213 | 150.4 Ų | 150.4 | 93% | 0.926 | 79% | 0.788 | S | S | * | * | trans | -52.3 | 113.1 | 178.5 | -64.7 | 169.7 | 177.3 | 176.7 | 0 | 109 | ||||
| 73 | H | 36.7 | Very low | 35.6 | Very low | 179 Ų | 179 | 148.4 Ų | 148.4 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | trans | -61 | 139.7 | 173.8 | -89.2 | -87 | 0 | 0 | 0 | 110.2 | A71 M75 | A71-H73 PolarHBondContact O-N 3.41Å; A71-H73 VanDerWaalsContact O-N 3.13Å; H73-M75 PolarHBondContact O-N 3.04Å | ||
| 74 | P | 37 | Very low | 37.5 | Very low | 101 Ų | 101 | 146.4 Ų | 146.4 | 66% | 0.656 | 76% | 0.764 | S | S | * | * | trans | -67.7 | 120 | 178.3 | 25.7 | -30.7 | 0 | 0 | 0 | 110.2 | Y76 | P74-Y76 PolarHBondContact O-N 2.84Š| ||
| 75 | M | 25.8 | Very low | 39.7 | Very low | 180 Ų | 180 | 140.8 Ų | 140.8 | 89% | 0.887 | 74% | 0.737 | S | S | * | * | trans | -66.3 | 108.5 | -178.7 | -174.6 | -177.9 | 164.5 | 0 | 0 | 110.4 | H73 | H73-M75 PolarHBondContact O-N 3.04Š| ||
| 76 | Y | 29.7 | Very low | 42.2 | Very low | 186 Ų | 186 | 137.7 Ų | 137.7 | 73% | 0.729 | 72% | 0.72 | S | S | * | * | trans | -83.8 | 132.9 | 166.4 | -86.8 | -87.7 | 0 | 0 | 0 | 109.7 | P74 N78 E79 | P74-Y76 PolarHBondContact O-N 2.84Å; Y76-N78 PolarHBondContact O-N 2.82Å; Y76-E79 PolarHBondContact O-N 3Å | ||
| 77 | A | 36.7 | Very low | 44.9 | Very low | 104 Ų | 104 | 136.3 Ų | 136.3 | 86% | 0.86 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 17.3 | -168.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 78 | N | 39.1 | Very low | 47.9 | Very low | 140 Ų | 140 | 130.1 Ų | 130.1 | 75% | 0.749 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.3 | 28.4 | 177.4 | -145 | -1.8 | 0 | 0 | 0 | 113.2 | Y76 T80 | Y76-N78 PolarHBondContact O-N 2.82Å; N78-T80 PolarHBondContact O-N 2.88Å |
| 79 | E | 34.9 | Very low | 50.8 | Low | 127 Ų | 127 | 120 Ų | 120 | 59% | 0.593 | 63% | 0.625 | S | S | * | * | trans | -79.6 | 20.3 | 176 | -156.5 | 112.3 | -139.8 | 0 | 0 | 112.9 | Y76 K81 | Y76-E79 PolarHBondContact O-N 3Å; E79-K81 VanDerWaalsContact C-N 3.34Å; E79-K81 PolarHBondContact O-N 3.05Å | ||
| 80 | T | 39.7 | Very low | 53.8 | Low | 122 Ų | 122 | 120.7 Ų | 120.7 | 75% | 0.748 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -73.5 | 95.5 | 169.3 | 34.1 | 0 | 0 | 0 | 0 | 108.1 | N78 | N78-T80 PolarHBondContact O-N 2.88Š|
| 81 | K | 44.4 | Very low | 56.7 | Low | 190 Ų | 190 | 115.3 Ų | 115.3 | 83% | 0.826 | 59% | 0.587 | S | S | * | * | S | Bend | trans | 96.8 | 29.2 | 160.6 | -140.2 | -177.8 | -169.5 | -170.8 | 0 | 117.9 | E79 V83 | E79-K81 VanDerWaalsContact C-N 3.34Å; E79-K81 PolarHBondContact O-N 3.05Å; K81-V83 PolarHBondContact O-N 3.13Å |
| 82 | R | 48.3 | Very low | 59.8 | Low | 187 Ų | 187 | 111.6 Ų | 111.6 | 71% | 0.706 | 56% | 0.556 | S | S | * | * | trans | -83.6 | 98.7 | 152.9 | -86.8 | -175.9 | 178.5 | 175.7 | 1.8 | 108.6 | M84 | R82-M84 PolarHBondContact O-N 3.36Å; R82-M84 VanDerWaalsContact O-N 3.11Å | ||
| 83 | V | 58.9 | Low | 63 | Low | 44 Ų | 44 | 104.2 Ų | 104.2 | 27% | 0.267 | 53% | 0.526 | S | S | . | . | trans | -54 | 119.4 | 163.2 | -179.4 | 0 | 0 | 0 | 0 | 106.9 | K81 E87 V88 Y207 I211 | K81-V83 PolarHBondContact O-N 3.13Å; V83-E87 HydrophobicContact CG1-CB 3.56Å; V83-E87 HydrophobicContact CG1-CG 3.42Å; V83-E87 VanDerWaalsContact CG1-CG 3.42Å; V83-V88 HydrophobicContact CB-CG2 4.31Å; V83-V88 HydrophobicContact CG1-CG2 3.75Å; V83-Y207 PolarHBondContact O-OH 3.17Å; V83-I211 HydrophobicContact CB-CG2 4.11Å | ||
| 84 | M | 76.3 | Confident | 65.8 | Low | 142 Ų | 142 | 97.5 Ų | 97.5 | 70% | 0.7 | 50% | 0.498 | S | S | * | . | trans | -60.3 | 145.4 | 178.9 | -68.4 | -175 | -73.2 | 0 | 0 | 109.6 | R82 A86 E87 V88 | R82-M84 PolarHBondContact O-N 3.36Å; R82-M84 VanDerWaalsContact O-N 3.11Å; M84-A86 PolarHBondContact O-N 3.26Å; M84-E87 WeakPolarHBondContact O-CB 3.25Å; M84-E87 PolarHBondContact O-N 3.02Å; M84-V88 PolarHBondContact O-N 3.28Å | ||
| 85 | R | 81 | Confident | 68.7 | Low | 78 Ų | 78 | 94.2 Ų | 94.2 | 29% | 0.294 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -51.5 | -33.3 | 178.7 | -168.1 | 178.9 | -170.9 | 98.9 | -0.5 | 113.1 | V88 N89 L113 D114 Y207 | R85-V88 PolarHBondContact O-N 2.84Å; R85-N89 PolarHBondContact O-N 3.3Å; R85-N89 PolarHBondContact O-ND2 3.13Å; R85-L113 PolarHBondContact NH2-O 3.38Å; R85-D114 VanDerWaalsContact CD-OD1 3.31Å; R85-D114 WeakPolarHBondContact CD-OD1 2.98Å; R85-D114 IonicContact CZ-OD1 2.84Å; R85-D114 IonicContact NE-OD1 3.59Å; R85-D114 PolarHBondContact NE-OD1 2.99Å; R85-Y207 HydrophobicContact CB-CE2 4.13Å; R85-Y207 HydrophobicContact CG-CD2 4.31Å; R85-Y207 HydrophobicContact CG-CE2 4.42Å |
| 86 | A | 83.7 | Confident | 72.1 | Confident | 63 Ų | 63 | 85.7 Ų | 85.7 | 52% | 0.521 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | M84 N89 M90 | M84-A86 PolarHBondContact O-N 3.26Å; A86-N89 PolarHBondContact O-N 2.91Å; A86-M90 PolarHBondContact O-N 3.44Å |
| 87 | E | 88.4 | Confident | 75.3 | Confident | 75 Ų | 75 | 82.7 Ų | 82.7 | 35% | 0.35 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.1 | -41.1 | 177.2 | 177.3 | 59.5 | -150.2 | 0 | 0 | 110.8 | V83 M84 N89 M90 Q91 | V83-E87 HydrophobicContact CG1-CB 3.56Å; V83-E87 HydrophobicContact CG1-CG 3.42Å; V83-E87 VanDerWaalsContact CG1-CG 3.42Å; M84-E87 WeakPolarHBondContact O-CB 3.25Å; M84-E87 PolarHBondContact O-N 3.02Å; E87-N89 VanDerWaalsContact C-N 3.3Å; E87-N89 PolarHBondContact O-N 3.15Å; E87-M90 WeakPolarHBondContact O-CB 3.45Å; E87-M90 PolarHBondContact O-N 3.4Å; E87-Q91 WeakPolarHBondContact O-CG 3.37Å; E87-Q91 PolarHBondContact O-N 3.15Å; E87-Q91 PolarHBondContact OE1-NE2 3.25Å |
| 88 | V | 90.2 | Very high | 78.1 | Confident | 0 Ų | 0 | 86.3 Ų | 86.3 | 0% | 0 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -58.4 | -43.1 | 172.6 | 175.2 | 0 | 0 | 0 | 0 | 111.4 | V83 M84 R85 M90 Q91 F92 L113 Y207 W210 I211 | V83-V88 HydrophobicContact CB-CG2 4.31Å; V83-V88 HydrophobicContact CG1-CG2 3.75Å; M84-V88 PolarHBondContact O-N 3.28Å; R85-V88 PolarHBondContact O-N 2.84Å; V88-M90 PolarHBondContact O-N 2.83Å; V88-Q91 PolarHBondContact O-N 2.71Å; V88-F92 VanDerWaalsContact O-CB 3.29Å; V88-F92 WeakPolarHBondContact O-CB 3.33Å; V88-F92 PolarHBondContact O-N 3.44Å; V88-L113 HydrophobicContact CG1-CD1 3.6Å; V88-Y207 HydrophobicContact CB-CD2 4.26Å; V88-Y207 HydrophobicContact CG1-CD2 4.32Å; V88-Y207 HydrophobicContact CG2-CD2 3.9Å; V88-Y207 HydrophobicContact CG2-CE2 3.85Å; V88-W210 HydrophobicContact CB-CB 4.4Å; V88-W210 HydrophobicContact CG1-CB 3.67Å; V88-W210 HydrophobicContact CG1-CD2 4.04Å; V88-W210 HydrophobicContact CG1-CG 3.46Å; V88-W210 VanDerWaalsContact CG1-CG 3.46Å; V88-W210 HydrophobicContact CG2-CB 3.87Å; V88-W210 HydrophobicContact CG2-CG 4.49Å; V88-I211 HydrophobicContact CG2-CG2 4.36Å |
| 89 | N | 92.6 | Very high | 80.8 | Confident | 16 Ų | 16 | 81.1 Ų | 81.1 | 9% | 0.086 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.5 | -38.5 | 176.8 | -76.1 | -33.7 | 0 | 0 | 0 | 112.6 | R85 A86 E87 F92 M93 T112 L113 D114 | R85-N89 PolarHBondContact O-N 3.3Å; R85-N89 PolarHBondContact O-ND2 3.13Å; A86-N89 PolarHBondContact O-N 2.91Å; E87-N89 VanDerWaalsContact C-N 3.3Å; E87-N89 PolarHBondContact O-N 3.15Å; N89-F92 PolarHBondContact O-N 2.74Å; N89-M93 VanDerWaalsContact O-CB 3.31Å; N89-M93 WeakPolarHBondContact O-CB 3.38Å; N89-M93 PolarHBondContact O-N 3.1Å; N89-T112 PolarHBondContact OD1-OG1 3.29Å; N89-L113 WeakPolarHBondContact OD1-CB 2.84Å; N89-L113 PolarHBondContact OD1-N 3.46Å; N89-D114 PolarHBondContact ND2-OD1 2.99Å; N89-D114 PolarHBondContact ND2-OD2 3.23Å |
| 90 | M | 93.7 | Very high | 83.5 | Confident | 124 Ų | 124 | 82.1 Ų | 82.1 | 61% | 0.611 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -61.9 | -46.2 | 174 | -76.3 | 177.1 | 44.9 | 0 | 0 | 111.5 | A86 E87 V88 M93 S94 | A86-M90 PolarHBondContact O-N 3.44Å; E87-M90 WeakPolarHBondContact O-CB 3.45Å; E87-M90 PolarHBondContact O-N 3.4Å; V88-M90 PolarHBondContact O-N 2.83Å; M90-M93 PolarHBondContact O-N 3.09Å; M90-S94 WeakPolarHBondContact O-CB 3.38Å; M90-S94 PolarHBondContact O-N 2.89Å |
| 91 | Q | 94.5 | Very high | 86 | Confident | 69 Ų | 69 | 80.1 Ų | 80.1 | 32% | 0.322 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.6 | -40.4 | 178.7 | -65.5 | 178.3 | 11.8 | 0 | 0 | 112.1 | E87 V88 S94 C95 W210 | E87-Q91 WeakPolarHBondContact O-CG 3.37Å; E87-Q91 PolarHBondContact O-N 3.15Å; E87-Q91 PolarHBondContact OE1-NE2 3.25Å; V88-Q91 PolarHBondContact O-N 2.71Å; Q91-S94 PolarHBondContact O-N 3.12Å; Q91-C95 PolarHBondContact O-N 3.05Å; Q91-W210 HydrophobicContact CB-CE3 4.01Å; Q91-W210 HydrophobicContact CB-CH2 3.83Å; Q91-W210 HydrophobicContact CB-CZ3 3.43Å; Q91-W210 VanDerWaalsContact CB-CZ3 3.43Å; Q91-W210 HydrophobicContact CG-CZ3 4.36Å; Q91-W210 VanDerWaalsContact OE1-CZ3 3.24Å |
| 92 | F | 95.4 | Very high | 88.3 | Confident | 4 Ų | 4 | 75.7 Ų | 75.7 | 2% | 0.018 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.3 | -48.2 | 175.3 | 177.7 | -153.1 | 0 | 0 | 0 | 111.6 | V88 N89 S94 C95 C96 C111 L113 M143 C146 A147 W210 | V88-F92 VanDerWaalsContact O-CB 3.29Å; V88-F92 WeakPolarHBondContact O-CB 3.33Å; V88-F92 PolarHBondContact O-N 3.44Å; N89-F92 PolarHBondContact O-N 2.74Å; F92-S94 VanDerWaalsContact C-N 3.33Å; F92-S94 PolarHBondContact O-N 2.85Å; F92-C95 WeakPolarHBondContact O-CB 3.2Å; F92-C95 PolarHBondContact O-N 2.81Å; F92-C96 VanDerWaalsContact CE2-SG 3.58Å; F92-C96 PolarHBondContact O-N 3.31Å; F92-C111 VanDerWaalsContact CD1-C 3.44Å; F92-C111 VanDerWaalsContact CE1-CA 3.42Å; F92-C111 HydrophobicContact CE1-CB 4.33Å; F92-C111 HydrophobicContact CE2-CB 4.28Å; F92-C111 HydrophobicContact CZ-CB 4.17Å; F92-L113 HydrophobicContact CD1-CD2 3.99Å; F92-L113 HydrophobicContact CD1-CG 4.27Å; F92-L113 HydrophobicContact CE1-CD2 4.04Å; F92-M143 VanDerWaalsContact CE2-O 3.24Å; F92-M143 WeakPolarHBondContact CE2-O 3.27Å; F92-C146 HydrophobicContact CD2-CB 3.97Å; F92-C146 HydrophobicContact CE2-CB 3.88Å; F92-A147 HydrophobicContact CD2-CB 4.24Å; F92-A147 HydrophobicContact CE1-CB 4.11Å; F92-A147 HydrophobicContact CE2-CB 3.66Å; F92-A147 HydrophobicContact CZ-CB 3.57Å; F92-W210 HydrophobicContact CB-CZ2 4.19Å |
| 93 | M | 96 | Very high | 90.4 | Very high | 58 Ų | 58 | 67.5 Ų | 67.5 | 29% | 0.286 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.2 | -45.2 | 174.5 | -178.8 | 61.8 | 73.2 | 0 | 0 | 111.7 | N89 M90 C95 C96 Q97 L108 C111 | N89-M93 VanDerWaalsContact O-CB 3.31Å; N89-M93 WeakPolarHBondContact O-CB 3.38Å; N89-M93 PolarHBondContact O-N 3.1Å; M90-M93 PolarHBondContact O-N 3.09Å; M93-C95 VanDerWaalsContact C-N 3.31Å; M93-C95 PolarHBondContact O-N 3.15Å; M93-C96 WeakPolarHBondContact O-CB 3.45Å; M93-C96 PolarHBondContact O-N 2.02Å; M93-C96 VanDerWaalsContact O-N 3.15Å; M93-Q97 HydrophobicContact CG-CG 4.49Å; M93-Q97 WeakPolarHBondContact O-CG 3.24Å; M93-Q97 PolarHBondContact O-N 2.89Å; M93-Q97 HydrophobicContact SD-CG 4.37Å; M93-L108 WeakPolarHBondContact CE-O 3.17Å; M93-L108 HydrophobicContact SD-CB 4.36Å; M93-C111 HydrophobicContact CE-CB 3.97Å; M93-C111 HydrophobicContact SD-CB 3.89Å |
| 94 | S | 96.8 | Very high | 91.8 | Very high | 37 Ų | 37 | 68 Ų | 68 | 26% | 0.259 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.8 | -40.4 | 177 | -175.9 | 0 | 0 | 0 | 0 | 112.1 | M90 Q91 F92 Q97 R98 | M90-S94 WeakPolarHBondContact O-CB 3.38Å; M90-S94 PolarHBondContact O-N 2.89Å; Q91-S94 PolarHBondContact O-N 3.12Å; F92-S94 VanDerWaalsContact C-N 3.33Å; F92-S94 PolarHBondContact O-N 2.85Å; S94-Q97 PolarHBondContact O-N 3.48Å; S94-R98 WeakPolarHBondContact O-CG 3.29Å; S94-R98 PolarHBondContact O-N 2.97Å; S94-R98 PolarHBondContact OG-NH1 2.04Å |
| 95 | C | 97.2 | Very high | 92.3 | Very high | 33 Ų | 33 | 69.1 Ų | 69.1 | 22% | 0.223 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.1 | -47.9 | 173.8 | -173.5 | 0 | 0 | 0 | 0 | 111.6 | Q91 F92 M93 Q97 R98 L99 C146 | Q91-C95 PolarHBondContact O-N 3.05Å; F92-C95 WeakPolarHBondContact O-CB 3.2Å; F92-C95 PolarHBondContact O-N 2.81Å; M93-C95 VanDerWaalsContact C-N 3.31Å; M93-C95 PolarHBondContact O-N 3.15Å; C95-Q97 VanDerWaalsContact C-N 3.33Å; C95-Q97 PolarHBondContact O-N 3.17Å; C95-R98 PolarHBondContact O-N 3.49Å; C95-L99 PolarHBondContact O-N 3.46Å; C95-C146 HydrophobicContact CB-CB 3.61Å; C95-C146 WeakPolarHBondContact CB-SG 3.47Å; C95-C146 VanDerWaalsContact SG-CA 3.51Å; C95-C146 WeakPolarHBondContact SG-CB 3.16Å; C95-C146 CovalentContact SG-SG 2.04Å; C95-C146 PolarHBondContact SG-SG 2.9Å |
| 96 | C | 97 | Very high | 92.4 | Very high | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.007 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.9 | -40.6 | 178 | -73.7 | 0 | 0 | 0 | 0 | 113.6 | F92 M93 R98 L99 L108 C111 | F92-C96 VanDerWaalsContact CE2-SG 3.58Å; F92-C96 PolarHBondContact O-N 3.31Å; M93-C96 WeakPolarHBondContact O-CB 3.45Å; M93-C96 PolarHBondContact O-N 2.02Å; M93-C96 VanDerWaalsContact O-N 3.15Å; C96-R98 VanDerWaalsContact C-N 3.27Å; C96-R98 PolarHBondContact O-N 3.29Å; C96-L99 WeakPolarHBondContact O-CB 3.41Å; C96-L99 WeakPolarHBondContact O-CG 3.29Å; C96-L99 PolarHBondContact O-N 3.38Å; C96-L108 HydrophobicContact CB-CD2 3.96Å; C96-C111 HydrophobicContact CB-CB 3.69Å; C96-C111 WeakPolarHBondContact CB-SG 3.47Å; C96-C111 WeakPolarHBondContact SG-CB 3.36Å; C96-C111 CovalentContact SG-SG 2.02Å; C96-C111 PolarHBondContact SG-SG 2.85Å |
| 97 | Q | 96 | Very high | 92.7 | Very high | 123 Ų | 123 | 63.7 Ų | 63.7 | 58% | 0.575 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -68.3 | -27.1 | 179.9 | -72.5 | 174.3 | -31.1 | 0 | 0 | 112.8 | M93 S94 C95 L99 L108 | M93-Q97 HydrophobicContact CG-CG 4.49Å; M93-Q97 WeakPolarHBondContact O-CG 3.24Å; M93-Q97 PolarHBondContact O-N 2.89Å; M93-Q97 HydrophobicContact SD-CG 4.37Å; S94-Q97 PolarHBondContact O-N 3.48Å; C95-Q97 VanDerWaalsContact C-N 3.33Å; C95-Q97 PolarHBondContact O-N 3.17Å; Q97-L99 VanDerWaalsContact C-N 3.35Å; Q97-L108 HydrophobicContact CG-CD1 4.48Å; Q97-L108 HydrophobicContact CG-CD2 4.26Å |
| 98 | R | 96.5 | Very high | 92.9 | Very high | 180 Ų | 180 | 61.9 Ų | 61.9 | 68% | 0.679 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -1.1 | 177.4 | -68.2 | -174.2 | -60.9 | -138.7 | -0.1 | 113.9 | S94 C95 C96 N100 | S94-R98 WeakPolarHBondContact O-CG 3.29Å; S94-R98 PolarHBondContact O-N 2.97Å; S94-R98 PolarHBondContact OG-NH1 2.04Å; C95-R98 PolarHBondContact O-N 3.49Å; C96-R98 VanDerWaalsContact C-N 3.27Å; C96-R98 PolarHBondContact O-N 3.29Å; R98-N100 PolarHBondContact O-N 3.19Å |
| 99 | L | 95.1 | Very high | 92.9 | Very high | 30 Ų | 30 | 67.9 Ų | 67.9 | 16% | 0.157 | 35% | 0.345 | C | S | . | . | trans | -60 | 130.3 | 177.5 | -73.6 | 175.3 | 0 | 0 | 0 | 110.7 | C95 C96 Q97 P101 P102 V103 R142 M143 | C95-L99 PolarHBondContact O-N 3.46Å; C96-L99 WeakPolarHBondContact O-CB 3.41Å; C96-L99 WeakPolarHBondContact O-CG 3.29Å; C96-L99 PolarHBondContact O-N 3.38Å; Q97-L99 VanDerWaalsContact C-N 3.35Å; L99-P101 CarbonylContact C-O 3.54Å; L99-P101 CarbonylContact O-C 3.46Å; L99-P102 VanDerWaalsContact O-CA 3.22Å; L99-P102 WeakPolarHBondContact O-CA 3.31Å; L99-V103 HydrophobicContact CD1-CG1 3.73Å; L99-R142 HydrophobicContact CD1-CB 4.08Å; L99-R142 HydrophobicContact CD2-CB 4.41Å; L99-M143 HydrophobicContact CD1-CG 4.13Å | ||
| 100 | N | 92.9 | Very high | 92.8 | Very high | 149 Ų | 149 | 67.4 Ų | 67.4 | 80% | 0.797 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -118.4 | 122 | 174.6 | -172 | 8.9 | 0 | 0 | 0 | 110.2 | R98 R142 | R98-N100 PolarHBondContact O-N 3.19Å; N100-R142 PolarHBondContact O-NH2 2.81Å |
| 101 | P | 92 | Very high | 92.9 | Very high | 79 Ų | 79 | 61.5 Ų | 61.5 | 51% | 0.513 | 31% | 0.313 | S | S | . | . | S | Bend | cis | -65.5 | 154.4 | -4.5 | 29 | -35.8 | 0 | 0 | 0 | 112.5 | L99 R142 | L99-P101 CarbonylContact C-O 3.54Å; L99-P101 CarbonylContact O-C 3.46Å; P101-R142 PolarHBondContact O-NH1 2.66Å; P101-R142 PolarHBondContact O-NH2 2.94Å |
| 102 | P | 92.5 | Very high | 92.8 | Very high | 97 Ų | 97 | 59.8 Ų | 59.8 | 63% | 0.63 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 149 | -179.7 | 24.4 | -33.6 | 0 | 0 | 0 | 111.8 | L99 | L99-P102 VanDerWaalsContact O-CA 3.22Å; L99-P102 WeakPolarHBondContact O-CA 3.31Å |
| 103 | V | 91 | Very high | 92.6 | Very high | 15 Ų | 15 | 59.7 Ų | 59.7 | 9% | 0.091 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -85.8 | 149.5 | 170.6 | -60.1 | 0 | 0 | 0 | 0 | 109.6 | L99 C107 L108 H139 M143 | L99-V103 HydrophobicContact CD1-CG1 3.73Å; V103-C107 HydrophobicContact CB-CB 4.01Å; V103-C107 HydrophobicContact CG2-CB 4.06Å; V103-L108 HydrophobicContact CG2-CD2 3.59Å; V103-L108 HydrophobicContact CG2-CG 4.19Å; V103-H139 HydrophobicContact CB-CB 4.43Å; V103-H139 HydrophobicContact CG1-CB 4.03Å; V103-M143 HydrophobicContact CG1-CG 4.4Å; V103-M143 HydrophobicContact CG2-SD 4.31Å |
| 104 | P | 88.8 | Confident | 92.3 | Very high | 54 Ų | 54 | 61 Ų | 61 | 35% | 0.351 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 147.7 | 173.7 | -26.1 | 34 | 0 | 0 | 0 | 112.2 | S106 C107 | P104-S106 PolarHBondContact O-N 3.38Å; P104-S106 VanDerWaalsContact O-N 3.11Å; P104-C107 WeakPolarHBondContact O-CA 3.47Å; P104-C107 WeakPolarHBondContact O-CB 3.4Å; P104-C107 PolarHBondContact O-N 3.27Å |
| 105 | E | 86.3 | Confident | 91.8 | Very high | 166 Ų | 166 | 60.1 Ų | 60.1 | 78% | 0.776 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -57 | -33.3 | -179.9 | -168.5 | -175.3 | 174.5 | 0 | 0 | 112.6 | C107 L108 | E105-C107 PolarHBondContact O-N 3.34Å; E105-L108 WeakPolarHBondContact O-CB 3.47Å; E105-L108 PolarHBondContact O-N 3.09Å; E105-L108 VanDerWaalsContact O-N 3.1Å |
| 106 | S | 84.2 | Confident | 91.4 | Very high | 28 Ų | 28 | 61.6 Ų | 61.6 | 20% | 0.196 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.7 | -31.2 | 173.3 | 49.6 | 0 | 0 | 0 | 0 | 114.1 | P104 R109 I123 K134 | P104-S106 PolarHBondContact O-N 3.38Å; P104-S106 VanDerWaalsContact O-N 3.11Å; S106-R109 PolarHBondContact O-NH2 3.2Å; S106-I123 WeakPolarHBondContact O-CG2 3.06Å; S106-K134 PolarHBondContact OG-O 2.84Å |
| 107 | C | 90.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -73.6 | -33 | 176.1 | -74 | 0 | 0 | 0 | 0 | 112.1 | V103 P104 E105 R109 V110 C135 M143 | V103-C107 HydrophobicContact CB-CB 4.01Å; V103-C107 HydrophobicContact CG2-CB 4.06Å; P104-C107 WeakPolarHBondContact O-CA 3.47Å; P104-C107 WeakPolarHBondContact O-CB 3.4Å; P104-C107 PolarHBondContact O-N 3.27Å; E105-C107 PolarHBondContact O-N 3.34Å; C107-R109 PolarHBondContact O-N 3.05Å; C107-V110 VanDerWaalsContact O-CB 3.24Å; C107-V110 WeakPolarHBondContact O-CB 3.41Å; C107-V110 WeakPolarHBondContact O-CG2 3.45Å; C107-V110 PolarHBondContact O-N 2.02Å; C107-C135 VanDerWaalsContact CA-SG 3.58Å; C107-C135 HydrophobicContact CB-CB 3.94Å; C107-C135 WeakPolarHBondContact CB-SG 3.36Å; C107-C135 WeakPolarHBondContact SG-CA 3.48Å; C107-C135 WeakPolarHBondContact SG-CB 3.2Å; C107-C135 CovalentContact SG-SG 2.04Å; C107-C135 PolarHBondContact SG-SG 2.87Å; C107-M143 HydrophobicContact CB-CE 3.76Å; C107-M143 HydrophobicContact CB-SD 3.68Å |
| 108 | L | 92.1 | Very high | 90.4 | Very high | 36 Ų | 36 | 64.5 Ų | 64.5 | 19% | 0.188 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.6 | -24.6 | -175.6 | -66.4 | 177.4 | 0 | 0 | 0 | 113.2 | M93 C96 Q97 V103 E105 V110 C111 | M93-L108 WeakPolarHBondContact CE-O 3.17Å; M93-L108 HydrophobicContact SD-CB 4.36Å; C96-L108 HydrophobicContact CB-CD2 3.96Å; Q97-L108 HydrophobicContact CG-CD1 4.48Å; Q97-L108 HydrophobicContact CG-CD2 4.26Å; V103-L108 HydrophobicContact CG2-CD2 3.59Å; V103-L108 HydrophobicContact CG2-CG 4.19Å; E105-L108 WeakPolarHBondContact O-CB 3.47Å; E105-L108 PolarHBondContact O-N 3.09Å; E105-L108 VanDerWaalsContact O-N 3.1Å; L108-V110 PolarHBondContact O-N 3.12Å; L108-V110 VanDerWaalsContact O-N 3.12Å; L108-C111 VanDerWaalsContact O-CB 3.29Å; L108-C111 WeakPolarHBondContact O-CB 3.29Å; L108-C111 PolarHBondContact O-N 3.32Å |
| 109 | R | 90.5 | Very high | 89.9 | Confident | 127 Ų | 127 | 60.3 Ų | 60.3 | 48% | 0.479 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -18.6 | 172.3 | -67.1 | -169.9 | -65 | -98.8 | -6.8 | 113.8 | S106 C107 C111 N115 I123 | S106-R109 PolarHBondContact O-NH2 3.2Å; C107-R109 PolarHBondContact O-N 3.05Å; R109-C111 VanDerWaalsContact C-N 3.27Å; R109-N115 PolarHBondContact O-ND2 3.27Å; R109-I123 HydrophobicContact CB-CD1 3.63Å; R109-I123 HydrophobicContact CB-CG1 3.92Å; R109-I123 HydrophobicContact CB-CG2 4.47Å; R109-I123 WeakPolarHBondContact O-CD1 2.94Å |
| 110 | V | 91.1 | Very high | 89.5 | Confident | 5 Ų | 5 | 59.1 Ų | 59.1 | 3% | 0.03 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -25.1 | 171.9 | 177.8 | 0 | 0 | 0 | 0 | 111.6 | C107 L108 T112 N115 F120 I123 L140 M143 | C107-V110 VanDerWaalsContact O-CB 3.24Å; C107-V110 WeakPolarHBondContact O-CB 3.41Å; C107-V110 WeakPolarHBondContact O-CG2 3.45Å; C107-V110 PolarHBondContact O-N 2.02Å; L108-V110 PolarHBondContact O-N 3.12Å; L108-V110 VanDerWaalsContact O-N 3.12Å; V110-T112 PolarHBondContact O-N 3.23Å; V110-N115 PolarHBondContact O-ND2 3.09Å; V110-F120 HydrophobicContact CG1-CD2 4.29Å; V110-F120 HydrophobicContact CG1-CE2 3.71Å; V110-I123 HydrophobicContact CG2-CB 4.44Å; V110-I123 HydrophobicContact CG2-CD1 4.5Å; V110-I123 HydrophobicContact CG2-CG2 3.61Å; V110-L140 HydrophobicContact CG1-CD1 3.81Å; V110-M143 HydrophobicContact CB-CE 3.67Å; V110-M143 HydrophobicContact CB-SD 4Å; V110-M143 HydrophobicContact CG1-CE 3.97Å; V110-M143 HydrophobicContact CG2-CE 3.76Å |
| 111 | C | 94.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.007 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -79.9 | 49.8 | -169.2 | -57 | 0 | 0 | 0 | 0 | 113.8 | F92 M93 C96 L108 R109 | F92-C111 VanDerWaalsContact CD1-C 3.44Å; F92-C111 VanDerWaalsContact CE1-CA 3.42Å; F92-C111 HydrophobicContact CE1-CB 4.33Å; F92-C111 HydrophobicContact CE2-CB 4.28Å; F92-C111 HydrophobicContact CZ-CB 4.17Å; M93-C111 HydrophobicContact CE-CB 3.97Å; M93-C111 HydrophobicContact SD-CB 3.89Å; C96-C111 HydrophobicContact CB-CB 3.69Å; C96-C111 WeakPolarHBondContact CB-SG 3.47Å; C96-C111 WeakPolarHBondContact SG-CB 3.36Å; C96-C111 CovalentContact SG-SG 2.02Å; C96-C111 PolarHBondContact SG-SG 2.85Å; L108-C111 VanDerWaalsContact O-CB 3.29Å; L108-C111 WeakPolarHBondContact O-CB 3.29Å; L108-C111 PolarHBondContact O-N 3.32Å; R109-C111 VanDerWaalsContact C-N 3.27Å |
| 112 | T | 92.8 | Very high | 88.6 | Confident | 32 Ų | 32 | 55.9 Ų | 55.9 | 20% | 0.196 | 28% | 0.283 | C | S | . | . | trans | -147.8 | 140.5 | 169.6 | 173.2 | 0 | 0 | 0 | 0 | 109.4 | N89 V110 D114 N115 | N89-T112 PolarHBondContact OD1-OG1 3.29Å; V110-T112 PolarHBondContact O-N 3.23Å; T112-D114 PolarHBondContact O-N 2.98Å; T112-D114 PolarHBondContact OG1-N 2.98Å; T112-D114 VanDerWaalsContact OG1-N 3.11Å; T112-N115 VanDerWaalsContact CG2-ND2 3.27Å; T112-N115 WeakPolarHBondContact CG2-ND2 3.33Å; T112-N115 PolarHBondContact O-ND2 3.15Å | ||
| 113 | L | 90.5 | Very high | 88 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -2.9 | 174.3 | -55.4 | -174.1 | 0 | 0 | 0 | 112.6 | R85 V88 N89 F92 N203 Y206 | R85-L113 PolarHBondContact NH2-O 3.38Å; V88-L113 HydrophobicContact CG1-CD1 3.6Å; N89-L113 WeakPolarHBondContact OD1-CB 2.84Å; N89-L113 PolarHBondContact OD1-N 3.46Å; F92-L113 HydrophobicContact CD1-CD2 3.99Å; F92-L113 HydrophobicContact CD1-CG 4.27Å; F92-L113 HydrophobicContact CE1-CD2 4.04Å; L113-N203 HydrophobicContact CB-CB 4.29Å; L113-N203 HydrophobicContact CD2-CB 4.49Å; L113-N203 PolarHBondContact O-ND2 3.47Å; L113-Y206 HydrophobicContact CD2-CD2 4Å; L113-Y206 HydrophobicContact CD2-CG 4.27Å |
| 114 | D | 89.5 | Confident | 87.4 | Confident | 87 Ų | 87 | 51 Ų | 51 | 47% | 0.465 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -2.3 | -178.2 | -57.9 | -21.8 | 0 | 0 | 0 | 112.7 | R85 N89 T112 T116 | R85-D114 VanDerWaalsContact CD-OD1 3.31Å; R85-D114 WeakPolarHBondContact CD-OD1 2.98Å; R85-D114 IonicContact CZ-OD1 2.84Å; R85-D114 IonicContact NE-OD1 3.59Å; R85-D114 PolarHBondContact NE-OD1 2.99Å; N89-D114 PolarHBondContact ND2-OD1 2.99Å; N89-D114 PolarHBondContact ND2-OD2 3.23Å; T112-D114 PolarHBondContact O-N 2.98Å; T112-D114 PolarHBondContact OG1-N 2.98Å; T112-D114 VanDerWaalsContact OG1-N 3.11Å; D114-T116 PolarHBondContact O-N 2.99Å |
| 115 | N | 87.4 | Confident | 86.7 | Confident | 17 Ų | 17 | 50.2 Ų | 50.2 | 9% | 0.091 | 24% | 0.242 | C | C | . | . | trans | -60.5 | 125.4 | 174.7 | -82.8 | -45.4 | 0 | 0 | 0 | 111.1 | R109 V110 T112 L199 N203 | R109-N115 PolarHBondContact O-ND2 3.27Å; V110-N115 PolarHBondContact O-ND2 3.09Å; T112-N115 VanDerWaalsContact CG2-ND2 3.27Å; T112-N115 WeakPolarHBondContact CG2-ND2 3.33Å; T112-N115 PolarHBondContact O-ND2 3.15Å; N115-L199 HydrophobicContact CB-CD2 4.26Å; N115-L199 VanDerWaalsContact O-CD2 3.27Å; N115-L199 WeakPolarHBondContact O-CD2 3.5Å; N115-N203 PolarHBondContact O-ND2 3.41Å | ||
| 116 | T | 87.6 | Confident | 85.6 | Confident | 65 Ų | 65 | 48.8 Ų | 48.8 | 40% | 0.399 | 23% | 0.233 | S | C | . | . | trans | -73.1 | 157.2 | 166.1 | 61.2 | 0 | 0 | 0 | 0 | 110.9 | D114 K118 Q119 F120 | D114-T116 PolarHBondContact O-N 2.99Å; T116-K118 PolarHBondContact O-N 3.19Å; T116-K118 VanDerWaalsContact O-N 3.15Å; T116-Q119 PolarHBondContact O-N 2.04Å; T116-Q119 WeakPolarHBondContact OG1-CG 3.4Å; T116-Q119 PolarHBondContact OG1-N 3.37Å; T116-Q119 PolarHBondContact OG1-OE1 3.43Å; T116-F120 PolarHBondContact O-N 2.95Å | ||
| 117 | P | 87.5 | Confident | 84.4 | Confident | 26 Ų | 26 | 50.4 Ų | 50.4 | 17% | 0.169 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -49 | -41.4 | 172.8 | -31 | 36.5 | 0 | 0 | 0 | 113.2 | F120 Y121 V196 L199 P200 | P117-F120 PolarHBondContact O-N 3Å; P117-Y121 VanDerWaalsContact O-CB 3.3Å; P117-Y121 WeakPolarHBondContact O-CB 3.45Å; P117-Y121 PolarHBondContact O-N 3.21Å; P117-V196 HydrophobicContact CB-CG1 4.01Å; P117-V196 WeakPolarHBondContact CB-O 3.45Å; P117-V196 VanDerWaalsContact O-CG1 3.26Å; P117-V196 WeakPolarHBondContact O-CG1 3.45Å; P117-L199 HydrophobicContact CG-CB 4.4Å; P117-P200 HydrophobicContact CG-CG 4.32Å |
| 118 | K | 86 | Confident | 82.6 | Confident | 158 Ų | 158 | 57.4 Ų | 57.4 | 69% | 0.687 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -64.3 | -46.6 | 178 | -175.6 | 178.1 | 178.9 | -179.5 | 0 | 112.3 | T116 Y121 L122 | T116-K118 PolarHBondContact O-N 3.19Å; T116-K118 VanDerWaalsContact O-N 3.15Å; K118-Y121 PolarHBondContact O-N 3.28Å; K118-L122 HydrophobicContact CG-CD1 4.32Å; K118-L122 VanDerWaalsContact O-CG 3.27Å; K118-L122 WeakPolarHBondContact O-CG 3.08Å; K118-L122 PolarHBondContact O-N 3.21Å |
| 119 | Q | 85.7 | Confident | 80.8 | Confident | 93 Ų | 93 | 59.9 Ų | 59.9 | 44% | 0.435 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.9 | -45.5 | 177.8 | -75.9 | 161.3 | -39.8 | 0 | 0 | 111.1 | T116 Y121 L122 I123 | T116-Q119 PolarHBondContact O-N 2.04Å; T116-Q119 WeakPolarHBondContact OG1-CG 3.4Å; T116-Q119 PolarHBondContact OG1-N 3.37Å; T116-Q119 PolarHBondContact OG1-OE1 3.43Å; Q119-Y121 PolarHBondContact O-N 3.17Å; Q119-L122 PolarHBondContact O-N 3.47Å; Q119-L122 VanDerWaalsContact O-N 3.16Å; Q119-I123 WeakPolarHBondContact O-CD1 3.1Å; Q119-I123 VanDerWaalsContact O-CG1 3.28Å; Q119-I123 WeakPolarHBondContact O-CG1 3.05Å; Q119-I123 PolarHBondContact O-N 3.04Å |
| 120 | F | 87.3 | Confident | 79.1 | Confident | 5 Ų | 5 | 61.5 Ų | 61.5 | 2% | 0.022 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.6 | -49 | 177 | -170.4 | -87.5 | 0 | 0 | 0 | 111 | V110 T116 P117 L122 I123 Q124 L140 F192 V196 L199 | V110-F120 HydrophobicContact CG1-CD2 4.29Å; V110-F120 HydrophobicContact CG1-CE2 3.71Å; T116-F120 PolarHBondContact O-N 2.95Å; P117-F120 PolarHBondContact O-N 3Å; F120-L122 VanDerWaalsContact C-N 3.33Å; F120-L122 PolarHBondContact O-N 3.3Å; F120-I123 PolarHBondContact O-N 3.35Å; F120-I123 VanDerWaalsContact O-N 3.13Å; F120-Q124 HydrophobicContact CD1-CG 4.01Å; F120-Q124 HydrophobicContact CE1-CG 3.83Å; F120-Q124 HydrophobicContact CZ-CG 4.48Å; F120-Q124 VanDerWaalsContact O-CG 3.31Å; F120-Q124 WeakPolarHBondContact O-CG 3.11Å; F120-Q124 PolarHBondContact O-N 3.48Å; F120-L140 HydrophobicContact CE1-CD2 4.48Å; F120-L140 HydrophobicContact CE2-CD1 4.05Å; F120-L140 HydrophobicContact CZ-CD1 3.72Å; F120-L140 HydrophobicContact CZ-CD2 3.98Å; F120-L140 HydrophobicContact CZ-CG 4.49Å; F120-F192 HydrophobicContact CE1-CE1 4.48Å; F120-F192 HydrophobicContact CE1-CZ 4.06Å; F120-V196 HydrophobicContact CB-CG1 4.4Å; F120-V196 HydrophobicContact CD1-CG1 3.98Å; F120-V196 HydrophobicContact CD1-CG2 3.9Å; F120-V196 HydrophobicContact CE1-CG2 4.07Å; F120-L199 HydrophobicContact CB-CD2 3.46Å; F120-L199 VanDerWaalsContact CB-CD2 3.46Å; F120-L199 HydrophobicContact CD2-CD1 4.06Å; F120-L199 HydrophobicContact CD2-CD2 3.95Å; F120-L199 HydrophobicContact CE2-CD1 4.24Å; F120-L199 HydrophobicContact CG-CD1 4.43Å; F120-L199 HydrophobicContact CG-CD2 3.81Å |
| 121 | Y | 84.2 | Confident | 77.5 | Confident | 88 Ų | 88 | 72 Ų | 72 | 35% | 0.345 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -54.2 | -47.1 | 173.5 | 176.2 | -98.5 | 0 | 0 | 0 | 112.3 | P117 K118 Q119 I123 Q124 F125 L193 | P117-Y121 VanDerWaalsContact O-CB 3.3Å; P117-Y121 WeakPolarHBondContact O-CB 3.45Å; P117-Y121 PolarHBondContact O-N 3.21Å; K118-Y121 PolarHBondContact O-N 3.28Å; Q119-Y121 PolarHBondContact O-N 3.17Å; Y121-I123 VanDerWaalsContact C-N 3.32Å; Y121-I123 PolarHBondContact O-N 3.04Å; Y121-Q124 CarbonylContact O-C 3.58Å; Y121-Q124 PolarHBondContact O-N 2.84Å; Y121-Q124 VanDerWaalsContact O-N 3.09Å; Y121-F125 HydrophobicContact CD2-CB 4.46Å; Y121-F125 AromaticContact CD2-CD2 3.18Å; Y121-F125 HydrophobicContact CD2-CD2 3.18Å; Y121-F125 AromaticContact CD2-CE2 3.62Å; Y121-F125 HydrophobicContact CD2-CE2 3.62Å; Y121-F125 HydrophobicContact CD2-CG 4.12Å; Y121-F125 HydrophobicContact CE1-CB 4.26Å; Y121-F125 HydrophobicContact CE2-CB 3.93Å; Y121-F125 AromaticContact CE2-CD2 3.09Å; Y121-F125 HydrophobicContact CE2-CD2 3.09Å; Y121-F125 AromaticContact CE2-CE2 3.64Å; Y121-F125 HydrophobicContact CE2-CE2 3.64Å; Y121-F125 AromaticContact CE2-CG 3.63Å; Y121-F125 HydrophobicContact CE2-CG 3.63Å; Y121-F125 AromaticContact CG-CD2 4Å; Y121-F125 HydrophobicContact CG-CD2 4Å; Y121-F125 AromaticContact CZ-CD2 3.91Å; Y121-F125 WeakPolarHBondContact O-CD2 3.34Å; Y121-F125 PolarHBondContact O-N 3.42Å; Y121-L193 HydrophobicContact CD2-CD2 3.37Å; Y121-L193 HydrophobicContact CE2-CD2 3.35Å; Y121-L193 HydrophobicContact CG-CD2 4.47Å |
| 122 | L | 81.3 | Confident | 75.6 | Confident | 71 Ų | 71 | 81.3 Ų | 81.3 | 37% | 0.372 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.5 | -38.1 | 178.4 | -71.6 | 171.5 | 0 | 0 | 0 | 112.5 | K118 Q119 F120 Q124 F125 K126 | K118-L122 HydrophobicContact CG-CD1 4.32Å; K118-L122 VanDerWaalsContact O-CG 3.27Å; K118-L122 WeakPolarHBondContact O-CG 3.08Å; K118-L122 PolarHBondContact O-N 3.21Å; Q119-L122 PolarHBondContact O-N 3.47Å; Q119-L122 VanDerWaalsContact O-N 3.16Å; F120-L122 VanDerWaalsContact C-N 3.33Å; F120-L122 PolarHBondContact O-N 3.3Å; L122-Q124 VanDerWaalsContact C-N 3.25Å; L122-Q124 PolarHBondContact O-N 2.96Å; L122-F125 PolarHBondContact O-N 3.09Å; L122-K126 HydrophobicContact CD2-CB 4.45Å; L122-K126 HydrophobicContact CD2-CG 4.45Å; L122-K126 WeakPolarHBondContact O-CB 3.49Å; L122-K126 PolarHBondContact O-N 3.03Å |
| 123 | I | 80.3 | Confident | 74.2 | Confident | 10 Ų | 10 | 80.8 Ų | 80.8 | 5% | 0.051 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.1 | -36.2 | 175.5 | -63.1 | 157.2 | 0 | 0 | 0 | 110.5 | S106 R109 V110 Q119 F120 Y121 | S106-I123 WeakPolarHBondContact O-CG2 3.06Å; R109-I123 HydrophobicContact CB-CD1 3.63Å; R109-I123 HydrophobicContact CB-CG1 3.92Å; R109-I123 HydrophobicContact CB-CG2 4.47Å; R109-I123 WeakPolarHBondContact O-CD1 2.94Å; V110-I123 HydrophobicContact CG2-CB 4.44Å; V110-I123 HydrophobicContact CG2-CD1 4.5Å; V110-I123 HydrophobicContact CG2-CG2 3.61Å; Q119-I123 WeakPolarHBondContact O-CD1 3.1Å; Q119-I123 VanDerWaalsContact O-CG1 3.28Å; Q119-I123 WeakPolarHBondContact O-CG1 3.05Å; Q119-I123 PolarHBondContact O-N 3.04Å; F120-I123 PolarHBondContact O-N 3.35Å; F120-I123 VanDerWaalsContact O-N 3.13Å; Y121-I123 VanDerWaalsContact C-N 3.32Å; Y121-I123 PolarHBondContact O-N 3.04Å |
| 124 | Q | 77.5 | Confident | 73.3 | Confident | 1 Ų | 1 | 83.9 Ų | 83.9 | 1% | 0.005 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -79 | -32.1 | 179.2 | -59.6 | -55.9 | -52.2 | 0 | 0 | 113.6 | F120 Y121 L122 P133 C135 F192 | F120-Q124 HydrophobicContact CD1-CG 4.01Å; F120-Q124 HydrophobicContact CE1-CG 3.83Å; F120-Q124 HydrophobicContact CZ-CG 4.48Å; F120-Q124 VanDerWaalsContact O-CG 3.31Å; F120-Q124 WeakPolarHBondContact O-CG 3.11Å; F120-Q124 PolarHBondContact O-N 3.48Å; Y121-Q124 CarbonylContact O-C 3.58Å; Y121-Q124 PolarHBondContact O-N 2.84Å; Y121-Q124 VanDerWaalsContact O-N 3.09Å; L122-Q124 VanDerWaalsContact C-N 3.25Å; L122-Q124 PolarHBondContact O-N 2.96Å; Q124-P133 WeakPolarHBondContact O-CA 3.47Å; Q124-P133 WeakPolarHBondContact O-CB 3.28Å; Q124-C135 PolarHBondContact OE1-O 3.34Å; Q124-C135 VanDerWaalsContact OE1-O 3.09Å; Q124-F192 HydrophobicContact CG-CE1 4.39Å; Q124-F192 HydrophobicContact CG-CZ 4.17Å |
| 125 | F | 73.7 | Confident | 73 | Confident | 36 Ų | 36 | 79.8 Ų | 79.8 | 16% | 0.158 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -131.4 | -0.7 | -164.7 | -63.4 | -75.4 | 0 | 0 | 0 | 117.9 | Y121 L122 D127 G188 F192 | Y121-F125 HydrophobicContact CD2-CB 4.46Å; Y121-F125 AromaticContact CD2-CD2 3.18Å; Y121-F125 HydrophobicContact CD2-CD2 3.18Å; Y121-F125 AromaticContact CD2-CE2 3.62Å; Y121-F125 HydrophobicContact CD2-CE2 3.62Å; Y121-F125 HydrophobicContact CD2-CG 4.12Å; Y121-F125 HydrophobicContact CE1-CB 4.26Å; Y121-F125 HydrophobicContact CE2-CB 3.93Å; Y121-F125 AromaticContact CE2-CD2 3.09Å; Y121-F125 HydrophobicContact CE2-CD2 3.09Å; Y121-F125 AromaticContact CE2-CE2 3.64Å; Y121-F125 HydrophobicContact CE2-CE2 3.64Å; Y121-F125 AromaticContact CE2-CG 3.63Å; Y121-F125 HydrophobicContact CE2-CG 3.63Å; Y121-F125 AromaticContact CG-CD2 4Å; Y121-F125 HydrophobicContact CG-CD2 4Å; Y121-F125 AromaticContact CZ-CD2 3.91Å; Y121-F125 WeakPolarHBondContact O-CD2 3.34Å; Y121-F125 PolarHBondContact O-N 3.42Å; L122-F125 PolarHBondContact O-N 3.09Å; F125-D127 PolarHBondContact O-N 3.39Å; F125-G188 VanDerWaalsContact CE1-CA 3.5Å; F125-G188 VanDerWaalsContact CZ-N 3.29Å; F125-F192 AromaticContact CE2-CD1 3.55Å; F125-F192 HydrophobicContact CE2-CD1 3.55Å; F125-F192 AromaticContact CE2-CE1 3.41Å; F125-F192 HydrophobicContact CE2-CE1 3.41Å; F125-F192 VanDerWaalsContact CE2-CE1 3.41Å; F125-F192 HydrophobicContact CE2-CZ 4.38Å; F125-F192 AromaticContact CZ-CD1 3.67Å; F125-F192 HydrophobicContact CZ-CD1 3.67Å; F125-F192 AromaticContact CZ-CE1 3.78Å; F125-F192 HydrophobicContact CZ-CE1 3.78Å; F125-F192 HydrophobicContact CZ-CG 4.35Å |
| 126 | K | 64.3 | Low | 72.8 | Confident | 136 Ų | 136 | 81.5 Ų | 81.5 | 59% | 0.591 | 39% | 0.387 | S | S | * | . | trans | -58.9 | -21.7 | -167 | -173.3 | 173.8 | 179.9 | -175.6 | 0 | 115.6 | L122 I128 | L122-K126 HydrophobicContact CD2-CB 4.45Å; L122-K126 HydrophobicContact CD2-CG 4.45Å; L122-K126 WeakPolarHBondContact O-CB 3.49Å; L122-K126 PolarHBondContact O-N 3.03Å; K126-I128 VanDerWaalsContact C-N 3.26Å; K126-I128 PolarHBondContact O-N 3.47Å | ||
| 127 | D | 57.8 | Low | 72.8 | Confident | 62 Ų | 62 | 78.6 Ų | 78.6 | 33% | 0.332 | 37% | 0.369 | S | S | . | . | trans | -83.7 | 71.5 | 173.9 | -67 | -20.4 | 0 | 0 | 0 | 111.4 | F125 A129 F130 R131 K134 | F125-D127 PolarHBondContact O-N 3.39Å; D127-A129 PolarHBondContact O-N 3.47Å; D127-F130 PolarHBondContact O-N 3.36Å; D127-F130 VanDerWaalsContact O-N 3.17Å; D127-R131 PolarHBondContact O-N 2.93Å; D127-K134 WeakPolarHBondContact OD1-CE 3.31Å; D127-K134 IonicContact OD1-NZ 3.66Å; D127-K134 PolarHBondContact OD1-NZ 2.88Å; D127-K134 WeakPolarHBondContact OD2-CE 3.47Å; D127-K134 IonicContact OD2-NZ 3.86Å | ||
| 128 | I | 52.1 | Low | 72.9 | Confident | 147 Ų | 147 | 84.4 Ų | 84.4 | 75% | 0.754 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -35.6 | 173.5 | -60.9 | 171.8 | 0 | 0 | 0 | 110.4 | K126 F130 | K126-I128 VanDerWaalsContact C-N 3.26Å; K126-I128 PolarHBondContact O-N 3.47Å; I128-F130 VanDerWaalsContact C-N 3.27Å; I128-F130 PolarHBondContact O-N 3.13Å |
| 129 | A | 54.4 | Low | 73.1 | Confident | 88 Ų | 88 | 78.9 Ų | 78.9 | 73% | 0.727 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -31.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D127 | D127-A129 PolarHBondContact O-N 3.47Š|
| 130 | F | 56.6 | Low | 73.4 | Confident | 162 Ų | 162 | 74.5 Ų | 74.5 | 71% | 0.711 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.3 | -4.2 | -174.1 | -68.7 | -74.4 | 0 | 0 | 0 | 114.3 | D127 I128 R132 | D127-F130 PolarHBondContact O-N 3.36Å; D127-F130 VanDerWaalsContact O-N 3.17Å; I128-F130 VanDerWaalsContact C-N 3.27Å; I128-F130 PolarHBondContact O-N 3.13Å; F130-R132 PolarHBondContact O-N 2.82Å |
| 131 | R | 56.2 | Low | 73.8 | Confident | 225 Ų | 225 | 75.4 Ų | 75.4 | 85% | 0.849 | 35% | 0.352 | S | S | * | . | trans | 50.4 | 12.2 | -175.2 | -64.4 | -175.6 | 178.8 | 171.1 | 0.7 | 114.6 | D127 | D127-R131 PolarHBondContact O-N 2.93Š| ||
| 132 | R | 56 | Low | 74.3 | Confident | 196 Ų | 196 | 73.1 Ų | 73.1 | 74% | 0.74 | 34% | 0.343 | S | S | * | . | trans | -91.2 | 126.4 | 177.5 | -71 | -167.2 | -177.7 | -176.6 | 2 | 108 | F130 K134 | F130-R132 PolarHBondContact O-N 2.82Å; R132-K134 PolarHBondContact O-N 3.44Å | ||
| 133 | P | 61.5 | Low | 74.9 | Confident | 21 Ų | 21 | 69.8 Ų | 69.8 | 14% | 0.136 | 33% | 0.325 | C | S | . | . | trans | -65.8 | 134 | 176.2 | 28.4 | -33.8 | 0 | 0 | 0 | 109 | Q124 C135 Y187 | Q124-P133 WeakPolarHBondContact O-CA 3.47Å; Q124-P133 WeakPolarHBondContact O-CB 3.28Å; P133-C135 PolarHBondContact O-N 3.08Å; P133-C135 VanDerWaalsContact O-N 3.15Å; P133-Y187 HydrophobicContact CG-CD2 4.15Å; P133-Y187 HydrophobicContact CG-CE2 4.19Å | ||
| 134 | K | 72.3 | Confident | 75.6 | Confident | 68 Ų | 68 | 69.6 Ų | 69.6 | 30% | 0.296 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -61.5 | -20.7 | 170.6 | -69.7 | -167.4 | 176.7 | -169 | 0 | 111.7 | S106 D127 R132 | S106-K134 PolarHBondContact OG-O 2.84Å; D127-K134 WeakPolarHBondContact OD1-CE 3.31Å; D127-K134 IonicContact OD1-NZ 3.66Å; D127-K134 PolarHBondContact OD1-NZ 2.88Å; D127-K134 WeakPolarHBondContact OD2-CE 3.47Å; D127-K134 IonicContact OD2-NZ 3.86Å; R132-K134 PolarHBondContact O-N 3.44Å |
| 135 | C | 83.4 | Confident | 76.5 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -132.4 | 99 | 171.5 | -164.9 | 0 | 0 | 0 | 0 | 111 | C107 Q124 P133 M143 | C107-C135 VanDerWaalsContact CA-SG 3.58Å; C107-C135 HydrophobicContact CB-CB 3.94Å; C107-C135 WeakPolarHBondContact CB-SG 3.36Å; C107-C135 WeakPolarHBondContact SG-CA 3.48Å; C107-C135 WeakPolarHBondContact SG-CB 3.2Å; C107-C135 CovalentContact SG-SG 2.04Å; C107-C135 PolarHBondContact SG-SG 2.87Å; Q124-C135 PolarHBondContact OE1-O 3.34Å; Q124-C135 VanDerWaalsContact OE1-O 3.09Å; P133-C135 PolarHBondContact O-N 3.08Å; P133-C135 VanDerWaalsContact O-N 3.15Å; C135-M143 WeakPolarHBondContact SG-CE 3.05Å |
| 136 | P | 83.6 | Confident | 77.6 | Confident | 54 Ų | 54 | 70.4 Ų | 70.4 | 35% | 0.351 | 33% | 0.331 | S | S | . | . | trans | -54.7 | 149.7 | 174.5 | -25.6 | 32.2 | 0 | 0 | 0 | 113 | K138 H139 L140 | P136-K138 PolarHBondContact O-N 2.95Å; P136-K138 VanDerWaalsContact O-N 3.1Å; P136-H139 PolarHBondContact O-N 3.31Å; P136-L140 PolarHBondContact O-N 3.37Å; P136-L140 VanDerWaalsContact O-N 3.12Å | ||
| 137 | M | 87 | Confident | 79.1 | Confident | 3 Ų | 3 | 64 Ų | 64 | 2% | 0.015 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -53.7 | -35.3 | -179.3 | -71 | -69 | -64.7 | 0 | 0 | 113.1 | H139 L140 Q141 W182 P184 F186 Y187 F192 | M137-H139 VanDerWaalsContact C-N 3.28Å; M137-H139 PolarHBondContact O-N 3.34Å; M137-L140 HydrophobicContact CE-CD2 4.38Å; M137-L140 WeakPolarHBondContact O-CA 3.48Å; M137-L140 WeakPolarHBondContact O-CB 3.39Å; M137-L140 PolarHBondContact O-N 3.43Å; M137-L140 VanDerWaalsContact O-N 3.1Å; M137-L140 HydrophobicContact SD-CD2 3.86Å; M137-Q141 PolarHBondContact O-N 2.98Å; M137-W182 HydrophobicContact CB-CZ2 4.41Å; M137-W182 HydrophobicContact CE-CH2 4.08Å; M137-W182 HydrophobicContact CE-CZ2 3.57Å; M137-W182 VanDerWaalsContact O-CZ2 3.27Å; M137-W182 WeakPolarHBondContact O-CZ2 3.46Å; M137-P184 VanDerWaalsContact CB-O 3.31Å; M137-P184 WeakPolarHBondContact CB-O 3.19Å; M137-P184 WeakPolarHBondContact CG-O 3.5Å; M137-F186 HydrophobicContact CE-CB 3.93Å; M137-F186 HydrophobicContact CE-CD1 4.47Å; M137-Y187 HydrophobicContact CG-CD1 3.83Å; M137-Y187 HydrophobicContact CG-CG 4.26Å; M137-F192 HydrophobicContact CE-CE2 4.3Å; M137-F192 HydrophobicContact SD-CD2 4.47Å; M137-F192 HydrophobicContact SD-CE2 3.74Å |
| 138 | K | 88.7 | Confident | 81 | Confident | 148 Ų | 148 | 61 Ų | 61 | 64% | 0.643 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -59.4 | -37.6 | 177.2 | -175.4 | 175.8 | -178.9 | 178.5 | 0 | 112.7 | P136 R142 | P136-K138 PolarHBondContact O-N 2.95Å; P136-K138 VanDerWaalsContact O-N 3.1Å; K138-R142 WeakPolarHBondContact O-CG 3.12Å |
| 139 | H | 92.1 | Very high | 82.9 | Confident | 43 Ų | 43 | 58 Ų | 58 | 20% | 0.199 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -76 | -37 | 174.6 | -64.6 | -70.5 | 0 | 0 | 0 | 111.1 | V103 P136 M137 Q141 R142 M143 | V103-H139 HydrophobicContact CB-CB 4.43Å; V103-H139 HydrophobicContact CG1-CB 4.03Å; P136-H139 PolarHBondContact O-N 3.31Å; M137-H139 VanDerWaalsContact C-N 3.28Å; M137-H139 PolarHBondContact O-N 3.34Å; H139-Q141 VanDerWaalsContact C-N 3.34Å; H139-Q141 PolarHBondContact O-N 3.39Å; H139-R142 PolarHBondContact O-N 3.38Å; H139-M143 WeakPolarHBondContact O-CG 3.27Å; H139-M143 PolarHBondContact O-N 3.11Å |
| 140 | L | 92 | Very high | 84.5 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.5 | -47.8 | 174 | -178.7 | 59.6 | 0 | 0 | 0 | 111.7 | V110 F120 P136 M137 R142 M143 L144 F173 W182 | V110-L140 HydrophobicContact CG1-CD1 3.81Å; F120-L140 HydrophobicContact CE1-CD2 4.48Å; F120-L140 HydrophobicContact CE2-CD1 4.05Å; F120-L140 HydrophobicContact CZ-CD1 3.72Å; F120-L140 HydrophobicContact CZ-CD2 3.98Å; F120-L140 HydrophobicContact CZ-CG 4.49Å; P136-L140 PolarHBondContact O-N 3.37Å; P136-L140 VanDerWaalsContact O-N 3.12Å; M137-L140 HydrophobicContact CE-CD2 4.38Å; M137-L140 WeakPolarHBondContact O-CA 3.48Å; M137-L140 WeakPolarHBondContact O-CB 3.39Å; M137-L140 PolarHBondContact O-N 3.43Å; M137-L140 VanDerWaalsContact O-N 3.1Å; M137-L140 HydrophobicContact SD-CD2 3.86Å; L140-R142 VanDerWaalsContact C-N 3.28Å; L140-R142 PolarHBondContact O-N 2.95Å; L140-M143 HydrophobicContact CB-CE 4.42Å; L140-M143 HydrophobicContact CD1-CE 4.09Å; L140-M143 PolarHBondContact O-N 3.32Å; L140-M143 VanDerWaalsContact O-N 3.12Å; L140-L144 HydrophobicContact CD1-CD1 4.23Å; L140-L144 HydrophobicContact CD1-CD2 4.17Å; L140-L144 HydrophobicContact CD1-CG 4Å; L140-L144 HydrophobicContact CG-CD1 4.11Å; L140-L144 HydrophobicContact CG-CG 4.25Å; L140-L144 WeakPolarHBondContact O-CG 3.1Å; L140-L144 PolarHBondContact O-N 2.82Å; L140-F173 HydrophobicContact CD2-CE1 4.15Å; L140-W182 HydrophobicContact CB-CZ2 4.46Å; L140-W182 HydrophobicContact CG-CH2 4.21Å |
| 141 | Q | 94.2 | Very high | 86.2 | Confident | 25 Ų | 25 | 56.8 Ų | 56.8 | 12% | 0.117 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -51.6 | -50.2 | 177.3 | -163 | 177.4 | 4.5 | 0 | 0 | 111.5 | M137 H139 M143 L144 L145 P176 D179 W182 | M137-Q141 PolarHBondContact O-N 2.98Å; H139-Q141 VanDerWaalsContact C-N 3.34Å; H139-Q141 PolarHBondContact O-N 3.39Å; Q141-M143 VanDerWaalsContact C-N 3.31Å; Q141-M143 PolarHBondContact O-N 2.9Å; Q141-L144 CarbonylContact O-C 3.21Å; Q141-L144 PolarHBondContact O-N 2.78Å; Q141-L145 WeakPolarHBondContact O-CG 3.46Å; Q141-L145 PolarHBondContact O-N 3.43Å; Q141-P176 HydrophobicContact CG-CB 4.45Å; Q141-P176 WeakPolarHBondContact CG-O 3.5Å; Q141-P176 PolarHBondContact NE2-O 3.19Å; Q141-D179 PolarHBondContact NE2-OD1 3.41Å; Q141-W182 VanDerWaalsContact CA-CH2 3.43Å; Q141-W182 HydrophobicContact CB-CD2 3.91Å; Q141-W182 HydrophobicContact CB-CE3 4.3Å; Q141-W182 HydrophobicContact CB-CH2 3.8Å; Q141-W182 HydrophobicContact CB-CZ2 3.33Å; Q141-W182 HydrophobicContact CB-CZ3 4.25Å; Q141-W182 VanDerWaalsContact CD-CD1 3.47Å; Q141-W182 VanDerWaalsContact CD-CG 3.44Å; Q141-W182 HydrophobicContact CG-CD2 3.49Å; Q141-W182 VanDerWaalsContact CG-CD2 3.49Å; Q141-W182 HydrophobicContact CG-CE3 3.75Å; Q141-W182 HydrophobicContact CG-CG 3.98Å; Q141-W182 HydrophobicContact CG-CH2 4.13Å; Q141-W182 HydrophobicContact CG-CZ2 3.88Å; Q141-W182 HydrophobicContact CG-CZ3 4.05Å; Q141-W182 VanDerWaalsContact N-CZ2 3.34Å; Q141-W182 VanDerWaalsContact OE1-CD1 3.23Å |
| 142 | R | 94.4 | Very high | 88.1 | Confident | 40 Ų | 40 | 49.6 Ų | 49.6 | 15% | 0.151 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.4 | -35.5 | -177.2 | -64.1 | 171.8 | 67.2 | -140.6 | -6.9 | 112.4 | L99 N100 P101 K138 H139 L140 L145 C146 | L99-R142 HydrophobicContact CD1-CB 4.08Å; L99-R142 HydrophobicContact CD2-CB 4.41Å; N100-R142 PolarHBondContact O-NH2 2.81Å; P101-R142 PolarHBondContact O-NH1 2.66Å; P101-R142 PolarHBondContact O-NH2 2.94Å; K138-R142 WeakPolarHBondContact O-CG 3.12Å; H139-R142 PolarHBondContact O-N 3.38Å; L140-R142 VanDerWaalsContact C-N 3.28Å; L140-R142 PolarHBondContact O-N 2.95Å; R142-L145 WeakPolarHBondContact O-CB 3.26Å; R142-C146 PolarHBondContact O-N 2.93Å |
| 143 | M | 95.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -71 | -37.8 | 172.4 | -63.9 | -177.3 | -61.8 | 0 | 0 | 111.6 | F92 L99 V103 C107 V110 C135 H139 L140 Q141 L145 C146 A147 | F92-M143 VanDerWaalsContact CE2-O 3.24Å; F92-M143 WeakPolarHBondContact CE2-O 3.27Å; L99-M143 HydrophobicContact CD1-CG 4.13Å; V103-M143 HydrophobicContact CG1-CG 4.4Å; V103-M143 HydrophobicContact CG2-SD 4.31Å; C107-M143 HydrophobicContact CB-CE 3.76Å; C107-M143 HydrophobicContact CB-SD 3.68Å; V110-M143 HydrophobicContact CB-CE 3.67Å; V110-M143 HydrophobicContact CB-SD 4Å; V110-M143 HydrophobicContact CG1-CE 3.97Å; V110-M143 HydrophobicContact CG2-CE 3.76Å; C135-M143 WeakPolarHBondContact SG-CE 3.05Å; H139-M143 WeakPolarHBondContact O-CG 3.27Å; H139-M143 PolarHBondContact O-N 3.11Å; L140-M143 HydrophobicContact CB-CE 4.42Å; L140-M143 HydrophobicContact CD1-CE 4.09Å; L140-M143 PolarHBondContact O-N 3.32Å; L140-M143 VanDerWaalsContact O-N 3.12Å; Q141-M143 VanDerWaalsContact C-N 3.31Å; Q141-M143 PolarHBondContact O-N 2.9Å; M143-L145 VanDerWaalsContact C-N 3.31Å; M143-L145 PolarHBondContact O-N 2.88Å; M143-C146 VanDerWaalsContact O-CB 3.26Å; M143-C146 WeakPolarHBondContact O-CB 3.39Å; M143-C146 PolarHBondContact O-N 3.16Å; M143-A147 PolarHBondContact O-N 3.27Å |
| 144 | L | 95.7 | Very high | 91.3 | Very high | 6 Ų | 6 | 41.5 Ų | 41.5 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.2 | -28.5 | 176.6 | -61.9 | -175.4 | 0 | 0 | 0 | 112.5 | L140 Q141 C146 A147 A148 F173 P176 W182 Y206 | L140-L144 HydrophobicContact CD1-CD1 4.23Å; L140-L144 HydrophobicContact CD1-CD2 4.17Å; L140-L144 HydrophobicContact CD1-CG 4Å; L140-L144 HydrophobicContact CG-CD1 4.11Å; L140-L144 HydrophobicContact CG-CG 4.25Å; L140-L144 WeakPolarHBondContact O-CG 3.1Å; L140-L144 PolarHBondContact O-N 2.82Å; Q141-L144 CarbonylContact O-C 3.21Å; Q141-L144 PolarHBondContact O-N 2.78Å; L144-C146 VanDerWaalsContact C-N 3.31Å; L144-C146 PolarHBondContact O-N 3.03Å; L144-A147 WeakPolarHBondContact O-CB 3.35Å; L144-A147 PolarHBondContact O-N 2.77Å; L144-A147 VanDerWaalsContact O-N 3.17Å; L144-A148 VanDerWaalsContact O-CB 3.3Å; L144-A148 WeakPolarHBondContact O-CB 3.2Å; L144-A148 PolarHBondContact O-N 3.31Å; L144-F173 HydrophobicContact CD1-CD1 3.5Å; L144-F173 HydrophobicContact CD1-CE1 4.1Å; L144-F173 HydrophobicContact CD1-CG 4.44Å; L144-P176 HydrophobicContact CB-CB 3.76Å; L144-P176 HydrophobicContact CB-CG 3.82Å; L144-P176 WeakPolarHBondContact O-CG 3.33Å; L144-W182 HydrophobicContact CD1-CH2 3.83Å; L144-W182 HydrophobicContact CD1-CZ3 3.95Å; L144-Y206 HydrophobicContact CD2-CE2 4.19Å |
| 145 | L | 95.9 | Very high | 92.2 | Very high | 46 Ų | 46 | 42.8 Ų | 42.8 | 24% | 0.241 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.3 | -44.9 | 168.4 | -71.2 | 174.7 | 0 | 0 | 0 | 111.5 | Q141 R142 M143 A148 K149 E150 P176 A177 | Q141-L145 WeakPolarHBondContact O-CG 3.46Å; Q141-L145 PolarHBondContact O-N 3.43Å; R142-L145 WeakPolarHBondContact O-CB 3.26Å; M143-L145 VanDerWaalsContact C-N 3.31Å; M143-L145 PolarHBondContact O-N 2.88Å; L145-A148 PolarHBondContact O-N 2.8Å; L145-K149 PolarHBondContact O-N 3.31Å; L145-E150 PolarHBondContact O-N 3.44Å; L145-E150 VanDerWaalsContact O-N 3.12Å; L145-P176 HydrophobicContact CD2-CB 4.27Å; L145-P176 HydrophobicContact CD2-CG 4.21Å; L145-P176 HydrophobicContact CG-CB 4.49Å; L145-A177 VanDerWaalsContact CD2-CA 3.46Å; L145-A177 HydrophobicContact CD2-CB 3.46Å; L145-A177 VanDerWaalsContact CD2-CB 3.46Å |
| 146 | C | 96.9 | Very high | 92.5 | Very high | 9 Ų | 9 | 43.9 Ų | 43.9 | 6% | 0.061 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.3 | -46.6 | 171.1 | -82.3 | 0 | 0 | 0 | 0 | 111.7 | F92 C95 R142 M143 L144 A148 K149 W210 | F92-C146 HydrophobicContact CD2-CB 3.97Å; F92-C146 HydrophobicContact CE2-CB 3.88Å; C95-C146 HydrophobicContact CB-CB 3.61Å; C95-C146 WeakPolarHBondContact CB-SG 3.47Å; C95-C146 VanDerWaalsContact SG-CA 3.51Å; C95-C146 WeakPolarHBondContact SG-CB 3.16Å; C95-C146 CovalentContact SG-SG 2.04Å; C95-C146 PolarHBondContact SG-SG 2.9Å; R142-C146 PolarHBondContact O-N 2.93Å; M143-C146 VanDerWaalsContact O-CB 3.26Å; M143-C146 WeakPolarHBondContact O-CB 3.39Å; M143-C146 PolarHBondContact O-N 3.16Å; L144-C146 VanDerWaalsContact C-N 3.31Å; L144-C146 PolarHBondContact O-N 3.03Å; C146-A148 VanDerWaalsContact C-N 3.31Å; C146-A148 PolarHBondContact O-N 2.99Å; C146-K149 PolarHBondContact O-N 3.22Å; C146-W210 VanDerWaalsContact O-CZ2 3.31Å; C146-W210 WeakPolarHBondContact O-CZ2 3.41Å |
| 147 | A | 96.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.8 | -41.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F92 M143 L144 K149 Y206 W210 | F92-A147 HydrophobicContact CD2-CB 4.24Å; F92-A147 HydrophobicContact CE1-CB 4.11Å; F92-A147 HydrophobicContact CE2-CB 3.66Å; F92-A147 HydrophobicContact CZ-CB 3.57Å; M143-A147 PolarHBondContact O-N 3.27Å; L144-A147 WeakPolarHBondContact O-CB 3.35Å; L144-A147 PolarHBondContact O-N 2.77Å; L144-A147 VanDerWaalsContact O-N 3.17Å; A147-K149 VanDerWaalsContact C-N 3.31Å; A147-K149 PolarHBondContact O-N 3.06Å; A147-Y206 VanDerWaalsContact C-CD1 3.47Å; A147-Y206 HydrophobicContact CB-CD1 3.77Å; A147-Y206 HydrophobicContact CB-CD2 3.8Å; A147-Y206 HydrophobicContact CB-CE1 3.89Å; A147-Y206 HydrophobicContact CB-CE2 3.93Å; A147-Y206 HydrophobicContact CB-CG 3.73Å; A147-Y206 WeakPolarHBondContact O-CD1 3.41Å; A147-W210 PolarHBondContact O-NE1 3.29Å |
| 148 | A | 95.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -78.6 | -10.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | L144 L145 C146 E150 K151 L153 P176 Y206 | L144-A148 VanDerWaalsContact O-CB 3.3Å; L144-A148 WeakPolarHBondContact O-CB 3.2Å; L144-A148 PolarHBondContact O-N 3.31Å; L145-A148 PolarHBondContact O-N 2.8Å; C146-A148 VanDerWaalsContact C-N 3.31Å; C146-A148 PolarHBondContact O-N 2.99Å; A148-E150 PolarHBondContact O-N 3.11Å; A148-K151 WeakPolarHBondContact O-CB 3.31Å; A148-K151 PolarHBondContact O-N 2.98Å; A148-L153 HydrophobicContact CB-CD1 4.12Å; A148-P176 HydrophobicContact CB-CG 3.99Å; A148-Y206 HydrophobicContact CB-CD1 4.17Å; A148-Y206 HydrophobicContact CB-CE1 3.85Å |
| 149 | K | 92.9 | Very high | 92.5 | Very high | 82 Ų | 82 | 44.6 Ų | 44.6 | 36% | 0.357 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | 40 | -165.5 | -64.1 | 176.8 | 60.6 | -176.1 | 0 | 111.9 | L145 C146 A147 K151 A209 W210 | L145-K149 PolarHBondContact O-N 3.31Å; C146-K149 PolarHBondContact O-N 3.22Å; A147-K149 VanDerWaalsContact C-N 3.31Å; A147-K149 PolarHBondContact O-N 3.06Å; K149-K151 PolarHBondContact O-N 3.21Å; K149-A209 WeakPolarHBondContact CD-O 3.36Å; K149-W210 HydrophobicContact CD-CB 4.5Å; K149-W210 HydrophobicContact CD-CD2 3.64Å; K149-W210 HydrophobicContact CD-CE3 3.77Å; K149-W210 HydrophobicContact CD-CG 3.99Å; K149-W210 HydrophobicContact CD-CH2 4.5Å; K149-W210 HydrophobicContact CD-CZ2 4.4Å; K149-W210 HydrophobicContact CD-CZ3 4.19Å; K149-W210 HydrophobicContact CG-CD2 3.96Å; K149-W210 HydrophobicContact CG-CE3 4.29Å; K149-W210 HydrophobicContact CG-CG 4.47Å; K149-W210 HydrophobicContact CG-CH2 4.2Å; K149-W210 HydrophobicContact CG-CZ2 3.87Å; K149-W210 HydrophobicContact CG-CZ3 4.39Å |
| 150 | E | 88.2 | Confident | 91.6 | Very high | 153 Ų | 153 | 48.8 Ų | 48.8 | 72% | 0.715 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 9.6 | -177.8 | -54.3 | 177 | -175 | 0 | 0 | 115.2 | L145 A148 | L145-E150 PolarHBondContact O-N 3.44Å; L145-E150 VanDerWaalsContact O-N 3.12Å; A148-E150 PolarHBondContact O-N 3.11Å |
| 151 | K | 93.1 | Very high | 90.6 | Very high | 72 Ų | 72 | 58 Ų | 58 | 31% | 0.313 | 28% | 0.284 | S | S | . | . | trans | -79.8 | 151.1 | 177.3 | -63.7 | 179.2 | 178 | 171.2 | 0 | 110.9 | A148 K149 L153 A209 S212 | A148-K151 WeakPolarHBondContact O-CB 3.31Å; A148-K151 PolarHBondContact O-N 2.98Å; K149-K151 PolarHBondContact O-N 3.21Å; K151-L153 HydrophobicContact CB-CD2 3.88Å; K151-L153 PolarHBondContact O-N 3.06Å; K151-A209 HydrophobicContact CD-CB 4.24Å; K151-A209 PolarHBondContact NZ-O 3.27Å; K151-S212 PolarHBondContact NZ-OG 3.27Å; K151-S212 PolarHBondContact NZ-OXT 3.26Å | ||
| 152 | D | 94.3 | Very high | 89.5 | Confident | 74 Ų | 74 | 57.5 Ų | 57.5 | 40% | 0.396 | 28% | 0.284 | S | S | . | . | trans | -79.4 | 112.4 | 164.9 | -178.1 | -3.1 | 0 | 0 | 0 | 109.6 | T154 Y175 | D152-T154 VanDerWaalsContact CG-OG1 3.26Å; D152-T154 WeakPolarHBondContact OD1-CB 3.26Å; D152-T154 WeakPolarHBondContact OD1-CG2 3.49Å; D152-T154 PolarHBondContact OD1-N 2.94Å; D152-T154 PolarHBondContact OD1-OG1 3.12Å; D152-T154 PolarHBondContact OD2-OG1 3.44Å; D152-Y175 HydrophobicContact CB-CD1 4.1Å; D152-Y175 HydrophobicContact CB-CD2 3.96Å; D152-Y175 HydrophobicContact CB-CE1 4.14Å; D152-Y175 HydrophobicContact CB-CE2 3.97Å; D152-Y175 HydrophobicContact CB-CG 4.05Å | ||
| 153 | L | 93.7 | Very high | 88.9 | Confident | 14 Ų | 14 | 55.8 Ų | 55.8 | 7% | 0.073 | 28% | 0.278 | C | S | . | . | trans | -103 | 14 | 179.6 | -48.2 | 179.4 | 0 | 0 | 0 | 112.6 | A148 K151 S155 C156 C157 C174 C205 Y206 A209 | A148-L153 HydrophobicContact CB-CD1 4.12Å; K151-L153 HydrophobicContact CB-CD2 3.88Å; K151-L153 PolarHBondContact O-N 3.06Å; L153-S155 PolarHBondContact O-N 3.49Å; L153-C156 PolarHBondContact O-N 2.98Å; L153-C156 VanDerWaalsContact O-N 3.15Å; L153-C157 WeakPolarHBondContact O-CB 3.45Å; L153-C157 PolarHBondContact O-N 2.97Å; L153-C174 WeakPolarHBondContact CA-O 2.99Å; L153-C174 VanDerWaalsContact CB-O 3.26Å; L153-C174 WeakPolarHBondContact CB-O 3.48Å; L153-C174 PolarHBondContact N-O 2.68Å; L153-C205 HydrophobicContact CB-CB 4.31Å; L153-C205 HydrophobicContact CD1-CB 4.19Å; L153-Y206 HydrophobicContact CD1-CD1 3.39Å; L153-Y206 HydrophobicContact CD1-CE1 3.75Å; L153-Y206 HydrophobicContact CD1-CG 4.45Å; L153-A209 HydrophobicContact CD1-CB 4.25Å; L153-A209 HydrophobicContact CD2-CB 3.88Å | ||
| 154 | T | 91.8 | Very high | 88.1 | Confident | 34 Ų | 34 | 58.3 Ų | 58.3 | 21% | 0.209 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -52.9 | -42.4 | 178.2 | 54 | 0 | 0 | 0 | 0 | 112.3 | D152 C157 M158 M171 | D152-T154 VanDerWaalsContact CG-OG1 3.26Å; D152-T154 WeakPolarHBondContact OD1-CB 3.26Å; D152-T154 WeakPolarHBondContact OD1-CG2 3.49Å; D152-T154 PolarHBondContact OD1-N 2.94Å; D152-T154 PolarHBondContact OD1-OG1 3.12Å; D152-T154 PolarHBondContact OD2-OG1 3.44Å; T154-C157 PolarHBondContact O-N 3.16Å; T154-M158 WeakPolarHBondContact O-CB 3.27Å; T154-M158 WeakPolarHBondContact O-CG 3.3Å; T154-M158 PolarHBondContact O-N 2.94Å; T154-M171 HydrophobicContact CG2-CE 3.27Å |
| 155 | S | 90.4 | Very high | 87.1 | Confident | 95 Ų | 95 | 61.6 Ų | 61.6 | 66% | 0.664 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -61.7 | -44.1 | 177.9 | 59.4 | 0 | 0 | 0 | 0 | 112.6 | L153 K159 | L153-S155 PolarHBondContact O-N 3.49Å; S155-K159 PolarHBondContact O-N 2.99Å |
| 156 | C | 90.4 | Very high | 86.5 | Confident | 23 Ų | 23 | 65.4 Ų | 65.4 | 16% | 0.155 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.4 | -44.6 | 175 | 177.3 | 0 | 0 | 0 | 0 | 111.4 | L153 M158 K159 C205 | L153-C156 PolarHBondContact O-N 2.98Å; L153-C156 VanDerWaalsContact O-N 3.15Å; C156-M158 VanDerWaalsContact C-N 3.34Å; C156-M158 PolarHBondContact O-N 3.06Å; C156-K159 WeakPolarHBondContact O-CB 3.35Å; C156-K159 PolarHBondContact O-N 3.24Å; C156-C205 HydrophobicContact CB-CB 3.77Å; C156-C205 WeakPolarHBondContact CB-SG 3.5Å; C156-C205 WeakPolarHBondContact SG-CA 3.39Å; C156-C205 WeakPolarHBondContact SG-CB 3.27Å; C156-C205 CovalentContact SG-SG 2.04Å; C156-C205 PolarHBondContact SG-SG 2.89Å |
| 157 | C | 90.2 | Very high | 86 | Confident | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.007 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.9 | -32.3 | 179.6 | -90.1 | 0 | 0 | 0 | 0 | 114.5 | L153 T154 K159 L163 C174 | L153-C157 WeakPolarHBondContact O-CB 3.45Å; L153-C157 PolarHBondContact O-N 2.97Å; T154-C157 PolarHBondContact O-N 3.16Å; C157-K159 VanDerWaalsContact C-N 3.26Å; C157-L163 HydrophobicContact CB-CD1 3.6Å; C157-C174 HydrophobicContact CB-CB 3.6Å; C157-C174 WeakPolarHBondContact CB-SG 3.36Å; C157-C174 WeakPolarHBondContact SG-CB 3.36Å; C157-C174 CovalentContact SG-SG 2.02Å; C157-C174 PolarHBondContact SG-SG 3.35Å |
| 158 | M | 87.5 | Confident | 85.5 | Confident | 95 Ų | 95 | 73.4 Ų | 73.4 | 47% | 0.468 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -0.5 | 177.4 | -74.4 | -172.9 | 156 | 0 | 0 | 113 | T154 C156 D160 Y161 M171 | T154-M158 WeakPolarHBondContact O-CB 3.27Å; T154-M158 WeakPolarHBondContact O-CG 3.3Å; T154-M158 PolarHBondContact O-N 2.94Å; C156-M158 VanDerWaalsContact C-N 3.34Å; C156-M158 PolarHBondContact O-N 3.06Å; M158-D160 PolarHBondContact O-N 3.03Å; M158-Y161 PolarHBondContact O-N 3.22Å; M158-M171 HydrophobicContact CE-CE 3.81Å; M158-M171 HydrophobicContact CE-CG 4.33Å; M158-M171 HydrophobicContact CE-SD 3.83Å; M158-M171 HydrophobicContact CG-CE 3.89Å; M158-M171 HydrophobicContact CG-SD 4.07Å; M158-M171 HydrophobicContact SD-CE 4.11Å |
| 159 | K | 82.5 | Confident | 85.2 | Confident | 123 Ų | 123 | 75.5 Ų | 75.5 | 54% | 0.535 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -54.4 | 131.7 | 174.4 | -168.1 | 173.8 | -177.8 | 176.6 | 0 | 109.7 | S155 C156 C157 Y161 A162 | S155-K159 PolarHBondContact O-N 2.99Å; C156-K159 WeakPolarHBondContact O-CB 3.35Å; C156-K159 PolarHBondContact O-N 3.24Å; C157-K159 VanDerWaalsContact C-N 3.26Å; K159-Y161 PolarHBondContact O-N 3.15Å; K159-Y161 VanDerWaalsContact O-N 3.12Å; K159-A162 PolarHBondContact O-N 2.84Å |
| 160 | D | 72.2 | Confident | 85.2 | Confident | 131 Ų | 131 | 71.6 Ų | 71.6 | 70% | 0.701 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | 57 | 23.5 | -178 | -51.9 | -37.5 | 0 | 0 | 0 | 114.8 | M158 A162 | M158-D160 PolarHBondContact O-N 3.03Å; D160-A162 PolarHBondContact O-N 3.26Å |
| 161 | Y | 71.6 | Confident | 85.3 | Confident | 195 Ų | 195 | 64.9 Ų | 64.9 | 77% | 0.765 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | 59.7 | 26.6 | -178.2 | -52.8 | -85.4 | 0 | 0 | 0 | 114 | M158 K159 L163 D164 | M158-Y161 PolarHBondContact O-N 3.22Å; K159-Y161 PolarHBondContact O-N 3.15Å; K159-Y161 VanDerWaalsContact O-N 3.12Å; Y161-L163 PolarHBondContact O-N 3.48Å; Y161-D164 PolarHBondContact O-N 3.16Å |
| 162 | A | 70.9 | Confident | 85.3 | Confident | 14 Ų | 14 | 61.7 Ų | 61.7 | 12% | 0.116 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -21.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | K159 D160 L201 | K159-A162 PolarHBondContact O-N 2.84Å; D160-A162 PolarHBondContact O-N 3.26Å; A162-L201 HydrophobicContact CB-CD1 4.32Å; A162-L201 HydrophobicContact CB-CD2 3.56Å |
| 163 | L | 81.8 | Confident | 85.3 | Confident | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.2 | 61 | 173.4 | -58.5 | 178.5 | 0 | 0 | 0 | 111 | C157 Y161 L167 C170 M171 C174 K198 L201 F202 | C157-L163 HydrophobicContact CB-CD1 3.6Å; Y161-L163 PolarHBondContact O-N 3.48Å; L163-L167 HydrophobicContact CD2-CB 4.27Å; L163-L167 HydrophobicContact CD2-CD1 4.36Å; L163-C170 HydrophobicContact CD2-CB 4.11Å; L163-M171 HydrophobicContact CB-SD 4.06Å; L163-M171 HydrophobicContact CD1-SD 3.59Å; L163-M171 VanDerWaalsContact CD1-SD 3.59Å; L163-C174 WeakPolarHBondContact CD1-SG 3.46Å; L163-K198 HydrophobicContact CD2-CB 4.25Å; L163-K198 HydrophobicContact CD2-CG 4.06Å; L163-L201 HydrophobicContact CD1-CD2 4.4Å; L163-L201 HydrophobicContact CD2-CD2 4.22Å; L163-L201 HydrophobicContact CG-CD2 4Å; L163-F202 HydrophobicContact CD1-CE1 3.76Å; L163-F202 HydrophobicContact CD2-CE1 4.05Å; L163-F202 HydrophobicContact CD2-CZ 4.28Å; L163-F202 HydrophobicContact CG-CE1 4.46Å |
| 164 | D | 78.6 | Confident | 85.3 | Confident | 53 Ų | 53 | 57.8 Ų | 57.8 | 28% | 0.283 | 29% | 0.291 | S | S | . | . | trans | -61.6 | -172.8 | 179.3 | 76 | 15.7 | 0 | 0 | 0 | 114.5 | Y161 N166 L167 R168 | Y161-D164 PolarHBondContact O-N 3.16Å; D164-N166 PolarHBondContact O-N 2.76Å; D164-N166 PolarHBondContact OD1-N 2.94Å; D164-L167 CarbonylContact O-C 3.47Å; D164-L167 PolarHBondContact O-N 2.88Å; D164-R168 PolarHBondContact O-N 3.13Å | ||
| 165 | S | 74.5 | Confident | 85.5 | Confident | 76 Ų | 76 | 59.4 Ų | 59.4 | 53% | 0.531 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -48.2 | -33.2 | -176.7 | 66.8 | 0 | 0 | 0 | 0 | 115.4 | ||
| 166 | N | 82.9 | Confident | 85.7 | Confident | 125 Ų | 125 | 54.9 Ų | 54.9 | 67% | 0.668 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -85 | -11.3 | -177.8 | -73.1 | -42.3 | 0 | 0 | 0 | 113.5 | D164 H169 | D164-N166 PolarHBondContact O-N 2.76Å; D164-N166 PolarHBondContact OD1-N 2.94Å; N166-H169 PolarHBondContact O-CE1 3.2Å |
| 167 | L | 87.1 | Confident | 85.8 | Confident | 7 Ų | 7 | 55.8 Ų | 55.8 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -117.8 | 13.2 | -178.6 | -63.4 | 179.1 | 0 | 0 | 0 | 112.8 | L163 D164 H169 C170 K194 K198 | L163-L167 HydrophobicContact CD2-CB 4.27Å; L163-L167 HydrophobicContact CD2-CD1 4.36Å; D164-L167 CarbonylContact O-C 3.47Å; D164-L167 PolarHBondContact O-N 2.88Å; L167-H169 PolarHBondContact O-N 3.06Å; L167-H169 VanDerWaalsContact O-N 3.09Å; L167-C170 WeakPolarHBondContact O-CA 3.31Å; L167-C170 WeakPolarHBondContact O-CB 3.33Å; L167-C170 PolarHBondContact O-N 3.13Å; L167-K194 HydrophobicContact CD2-CB 3.97Å; L167-K194 HydrophobicContact CD2-CD 4.49Å; L167-K198 HydrophobicContact CD1-CG 4.35Å |
| 168 | R | 85.8 | Confident | 85.9 | Confident | 170 Ų | 170 | 57.7 Ų | 57.7 | 64% | 0.642 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -53.1 | -33 | 176.5 | -72.6 | -166.7 | -125.3 | -167.8 | -3.1 | 113.5 | D164 C170 M171 | D164-R168 PolarHBondContact O-N 3.13Å; R168-C170 PolarHBondContact O-N 3.36Å; R168-M171 VanDerWaalsContact O-CB 3.26Å; R168-M171 WeakPolarHBondContact O-CB 3.35Å; R168-M171 WeakPolarHBondContact O-CG 3.44Å; R168-M171 PolarHBondContact O-N 3.18Å |
| 169 | H | 88.1 | Confident | 86 | Confident | 46 Ų | 46 | 59 Ų | 59 | 21% | 0.213 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -65.2 | -17.3 | 176 | 60.9 | -95.6 | 0 | 0 | 0 | 113.2 | N166 L167 M171 Q172 F186 R191 C195 | N166-H169 PolarHBondContact O-CE1 3.2Å; L167-H169 PolarHBondContact O-N 3.06Å; L167-H169 VanDerWaalsContact O-N 3.09Å; H169-M171 VanDerWaalsContact C-N 3.28Å; H169-Q172 PolarHBondContact O-NE2 3.07Å; H169-F186 HydrophobicContact CB-CE2 4.44Å; H169-F186 AromaticContact CD2-CE2 3.83Å; H169-F186 AromaticContact CD2-CZ 3.29Å; H169-F186 WeakPolarHBondContact CD2-CZ 2.96Å; H169-R191 PolarHBondContact NE2-O 2.99Å; H169-C195 PolarHBondContact CD2-SG 3.47Å; H169-C195 PolarHBondContact NE2-SG 3.44Å; H169-C195 VanDerWaalsContact NE2-SG 3.38Å |
| 170 | C | 92.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -78.7 | -9.6 | 174.1 | -54.5 | 0 | 0 | 0 | 0 | 113 | L163 L167 R168 Q172 F173 C195 F202 | L163-C170 HydrophobicContact CD2-CB 4.11Å; L167-C170 WeakPolarHBondContact O-CA 3.31Å; L167-C170 WeakPolarHBondContact O-CB 3.33Å; L167-C170 PolarHBondContact O-N 3.13Å; R168-C170 PolarHBondContact O-N 3.36Å; C170-Q172 PolarHBondContact O-N 3.43Å; C170-Q172 VanDerWaalsContact O-N 3.12Å; C170-F173 HydrophobicContact CB-CD2 4.48Å; C170-F173 WeakPolarHBondContact O-CB 3.5Å; C170-F173 WeakPolarHBondContact O-CD2 2.93Å; C170-F173 PolarHBondContact O-N 2.99Å; C170-C195 WeakPolarHBondContact CA-SG 3.44Å; C170-C195 HydrophobicContact CB-CB 3.76Å; C170-C195 WeakPolarHBondContact CB-SG 3.42Å; C170-C195 WeakPolarHBondContact SG-CA 3.49Å; C170-C195 WeakPolarHBondContact SG-CB 3.44Å; C170-C195 CovalentContact SG-SG 2.04Å; C170-C195 PolarHBondContact SG-SG 3.25Å; C170-F202 HydrophobicContact CB-CZ 4.11Å |
| 171 | M | 91.9 | Very high | 87.1 | Confident | 12 Ų | 12 | 59 Ų | 59 | 6% | 0.059 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -62.7 | -19.2 | 178.4 | -65.1 | -59 | -64.2 | 0 | 0 | 113.3 | T154 M158 L163 R168 H169 F173 C174 Y175 L181 | T154-M171 HydrophobicContact CG2-CE 3.27Å; M158-M171 HydrophobicContact CE-CE 3.81Å; M158-M171 HydrophobicContact CE-CG 4.33Å; M158-M171 HydrophobicContact CE-SD 3.83Å; M158-M171 HydrophobicContact CG-CE 3.89Å; M158-M171 HydrophobicContact CG-SD 4.07Å; M158-M171 HydrophobicContact SD-CE 4.11Å; L163-M171 HydrophobicContact CB-SD 4.06Å; L163-M171 HydrophobicContact CD1-SD 3.59Å; L163-M171 VanDerWaalsContact CD1-SD 3.59Å; R168-M171 VanDerWaalsContact O-CB 3.26Å; R168-M171 WeakPolarHBondContact O-CB 3.35Å; R168-M171 WeakPolarHBondContact O-CG 3.44Å; R168-M171 PolarHBondContact O-N 3.18Å; H169-M171 VanDerWaalsContact C-N 3.28Å; M171-F173 PolarHBondContact O-N 2.03Å; M171-C174 HydrophobicContact CE-CB 4.19Å; M171-C174 WeakPolarHBondContact O-CA 3.45Å; M171-C174 WeakPolarHBondContact O-CB 3.48Å; M171-C174 PolarHBondContact O-N 3.4Å; M171-Y175 PolarHBondContact O-N 2.84Å; M171-L181 HydrophobicContact CB-CD1 4.27Å |
| 172 | Q | 92.7 | Very high | 88 | Confident | 4 Ų | 4 | 50.6 Ų | 50.6 | 2% | 0.019 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -59.9 | -26.1 | 171.6 | 75.7 | -171.3 | -79.9 | 0 | 0 | 113 | H169 C170 C174 P176 L181 W182 | H169-Q172 PolarHBondContact O-NE2 3.07Å; C170-Q172 PolarHBondContact O-N 3.43Å; C170-Q172 VanDerWaalsContact O-N 3.12Å; Q172-C174 VanDerWaalsContact C-N 3.31Å; Q172-P176 WeakPolarHBondContact O-CA 2.99Å; Q172-L181 HydrophobicContact CB-CB 4.2Å; Q172-L181 WeakPolarHBondContact CB-O 3.3Å; Q172-W182 HydrophobicContact CB-CE3 3.91Å; Q172-W182 HydrophobicContact CB-CZ3 4.41Å; Q172-W182 HydrophobicContact CG-CE3 4.19Å; Q172-W182 HydrophobicContact CG-CZ3 4.31Å; Q172-W182 WeakPolarHBondContact O-CZ3 3.14Å |
| 173 | F | 94.4 | Very high | 88.9 | Confident | 6 Ų | 6 | 51.7 Ų | 51.7 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -82.1 | -9.9 | 173 | -61 | -85.5 | 0 | 0 | 0 | 112.7 | L140 L144 C170 M171 F186 F192 C195 F202 Y206 | L140-F173 HydrophobicContact CD2-CE1 4.15Å; L144-F173 HydrophobicContact CD1-CD1 3.5Å; L144-F173 HydrophobicContact CD1-CE1 4.1Å; L144-F173 HydrophobicContact CD1-CG 4.44Å; C170-F173 HydrophobicContact CB-CD2 4.48Å; C170-F173 WeakPolarHBondContact O-CB 3.5Å; C170-F173 WeakPolarHBondContact O-CD2 2.93Å; C170-F173 PolarHBondContact O-N 2.99Å; M171-F173 PolarHBondContact O-N 2.03Å; F173-F186 HydrophobicContact CE2-CD1 4.22Å; F173-F186 AromaticContact CE2-CE1 3.97Å; F173-F186 HydrophobicContact CE2-CE1 3.97Å; F173-F186 HydrophobicContact CZ-CD1 4.38Å; F173-F186 HydrophobicContact CZ-CE1 4.43Å; F173-F192 HydrophobicContact CE1-CE2 4.41Å; F173-F192 HydrophobicContact CZ-CD2 4.21Å; F173-F192 AromaticContact CZ-CE2 3.72Å; F173-F192 HydrophobicContact CZ-CE2 3.72Å; F173-F192 HydrophobicContact CZ-CZ 4.37Å; F173-C195 HydrophobicContact CD2-CB 3.98Å; F173-C195 HydrophobicContact CE2-CB 3.6Å; F173-C195 HydrophobicContact CZ-CB 4.43Å; F173-F202 HydrophobicContact CB-CD1 4.31Å; F173-F202 HydrophobicContact CB-CD2 3.77Å; F173-F202 HydrophobicContact CB-CE1 4.25Å; F173-F202 HydrophobicContact CB-CE2 3.7Å; F173-F202 HydrophobicContact CB-CG 4.1Å; F173-F202 HydrophobicContact CB-CZ 3.97Å; F173-F202 HydrophobicContact CD2-CE2 4.12Å; F173-F202 HydrophobicContact CD2-CZ 4.38Å; F173-F202 HydrophobicContact CG-CD2 4.23Å; F173-F202 AromaticContact CG-CE2 3.9Å; F173-F202 HydrophobicContact CG-CE2 3.9Å; F173-F202 HydrophobicContact CG-CZ 4.4Å; F173-Y206 PolarHBondContact O-OH 2.03Å |
| 174 | C | 94.3 | Very high | 89 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.007 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -30.1 | 177.7 | -58 | 0 | 0 | 0 | 0 | 111.4 | L153 C157 L163 M171 Q172 | L153-C174 WeakPolarHBondContact CA-O 2.99Å; L153-C174 VanDerWaalsContact CB-O 3.26Å; L153-C174 WeakPolarHBondContact CB-O 3.48Å; L153-C174 PolarHBondContact N-O 2.68Å; C157-C174 HydrophobicContact CB-CB 3.6Å; C157-C174 WeakPolarHBondContact CB-SG 3.36Å; C157-C174 WeakPolarHBondContact SG-CB 3.36Å; C157-C174 CovalentContact SG-SG 2.02Å; C157-C174 PolarHBondContact SG-SG 3.35Å; L163-C174 WeakPolarHBondContact CD1-SG 3.46Å; M171-C174 HydrophobicContact CE-CB 4.19Å; M171-C174 WeakPolarHBondContact O-CA 3.45Å; M171-C174 WeakPolarHBondContact O-CB 3.48Å; M171-C174 PolarHBondContact O-N 3.4Å; Q172-C174 VanDerWaalsContact C-N 3.31Å |
| 175 | Y | 94.7 | Very high | 89.3 | Confident | 68 Ų | 68 | 61.3 Ų | 61.3 | 27% | 0.267 | 30% | 0.303 | S | S | . | . | trans | -134.5 | 72.6 | 175.7 | -169.2 | -165.1 | 0 | 0 | 0 | 111.1 | D152 M171 A177 N178 | D152-Y175 HydrophobicContact CB-CD1 4.1Å; D152-Y175 HydrophobicContact CB-CD2 3.96Å; D152-Y175 HydrophobicContact CB-CE1 4.14Å; D152-Y175 HydrophobicContact CB-CE2 3.97Å; D152-Y175 HydrophobicContact CB-CG 4.05Å; M171-Y175 PolarHBondContact O-N 2.84Å; Y175-A177 HydrophobicContact CD2-CB 4.07Å; Y175-A177 HydrophobicContact CE2-CB 3.7Å; Y175-A177 PolarHBondContact O-N 3.27Å; Y175-N178 HydrophobicContact CD1-CB 3.5Å; Y175-N178 VanDerWaalsContact CD1-CB 3.5Å; Y175-N178 HydrophobicContact CD2-CB 4.41Å; Y175-N178 HydrophobicContact CE1-CB 3.7Å; Y175-N178 HydrophobicContact CG-CB 3.85Å; Y175-N178 PolarHBondContact O-N 3.26Å | ||
| 176 | P | 94.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -15 | -176.4 | 25.5 | -33.6 | 0 | 0 | 0 | 114 | Q141 L144 L145 A148 Q172 N178 W182 | Q141-P176 HydrophobicContact CG-CB 4.45Å; Q141-P176 WeakPolarHBondContact CG-O 3.5Å; Q141-P176 PolarHBondContact NE2-O 3.19Å; L144-P176 HydrophobicContact CB-CB 3.76Å; L144-P176 HydrophobicContact CB-CG 3.82Å; L144-P176 WeakPolarHBondContact O-CG 3.33Å; L145-P176 HydrophobicContact CD2-CB 4.27Å; L145-P176 HydrophobicContact CD2-CG 4.21Å; L145-P176 HydrophobicContact CG-CB 4.49Å; A148-P176 HydrophobicContact CB-CG 3.99Å; Q172-P176 WeakPolarHBondContact O-CA 2.99Å; P176-N178 VanDerWaalsContact C-N 3.29Å; P176-W182 HydrophobicContact CB-CE3 4.35Å; P176-W182 HydrophobicContact CB-CZ3 4.09Å |
| 177 | A | 93.1 | Very high | 89.3 | Confident | 42 Ų | 42 | 56.7 Ų | 56.7 | 35% | 0.347 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -11.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L145 Y175 D179 | L145-A177 VanDerWaalsContact CD2-CA 3.46Å; L145-A177 HydrophobicContact CD2-CB 3.46Å; L145-A177 VanDerWaalsContact CD2-CB 3.46Å; Y175-A177 HydrophobicContact CD2-CB 4.07Å; Y175-A177 HydrophobicContact CE2-CB 3.7Å; Y175-A177 PolarHBondContact O-N 3.27Å; A177-D179 PolarHBondContact O-N 3.02Å |
| 178 | N | 92.7 | Very high | 88.5 | Confident | 40 Ų | 40 | 59 Ų | 59 | 21% | 0.214 | 29% | 0.291 | C | S | . | . | trans | -88.4 | 98.2 | 175.6 | -171.5 | -22.8 | 0 | 0 | 0 | 110.7 | Y175 P176 Q180 L181 W182 | Y175-N178 HydrophobicContact CD1-CB 3.5Å; Y175-N178 VanDerWaalsContact CD1-CB 3.5Å; Y175-N178 HydrophobicContact CD2-CB 4.41Å; Y175-N178 HydrophobicContact CE1-CB 3.7Å; Y175-N178 HydrophobicContact CG-CB 3.85Å; Y175-N178 PolarHBondContact O-N 3.26Å; P176-N178 VanDerWaalsContact C-N 3.29Å; N178-Q180 PolarHBondContact O-N 3.49Å; N178-Q180 WeakPolarHBondContact OD1-CA 3.43Å; N178-Q180 VanDerWaalsContact OD1-CB 3.25Å; N178-Q180 WeakPolarHBondContact OD1-CB 3.35Å; N178-Q180 PolarHBondContact OD1-N 3.4Å; N178-L181 HydrophobicContact CB-CB 4.38Å; N178-L181 HydrophobicContact CB-CD1 4.06Å; N178-L181 HydrophobicContact CB-CG 4.15Å; N178-L181 PolarHBondContact O-N 3.26Å; N178-L181 PolarHBondContact OD1-N 2.79Å; N178-W182 PolarHBondContact O-N 2.88Å | ||
| 179 | D | 88.8 | Confident | 88 | Confident | 122 Ų | 122 | 54.6 Ų | 54.6 | 65% | 0.652 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -20.3 | 178.6 | -71.5 | -31.3 | 0 | 0 | 0 | 113.7 | Q141 A177 L181 | Q141-D179 PolarHBondContact NE2-OD1 3.41Å; A177-D179 PolarHBondContact O-N 3.02Å; D179-L181 VanDerWaalsContact C-N 3.32Å |
| 180 | Q | 88.8 | Confident | 87.6 | Confident | 185 Ų | 185 | 56.1 Ų | 56.1 | 86% | 0.864 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -27.9 | 174.5 | -55.2 | -177.1 | -4.4 | 0 | 0 | 112.1 | N178 | N178-Q180 PolarHBondContact O-N 3.49Å; N178-Q180 WeakPolarHBondContact OD1-CA 3.43Å; N178-Q180 VanDerWaalsContact OD1-CB 3.25Å; N178-Q180 WeakPolarHBondContact OD1-CB 3.35Å; N178-Q180 PolarHBondContact OD1-N 3.4Å |
| 181 | L | 89.1 | Confident | 87.3 | Confident | 70 Ų | 70 | 63 Ų | 63 | 37% | 0.366 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -28.3 | 175.3 | -63.3 | 179.4 | 0 | 0 | 0 | 111.9 | M171 Q172 N178 D179 D183 | M171-L181 HydrophobicContact CB-CD1 4.27Å; Q172-L181 HydrophobicContact CB-CB 4.2Å; Q172-L181 WeakPolarHBondContact CB-O 3.3Å; N178-L181 HydrophobicContact CB-CB 4.38Å; N178-L181 HydrophobicContact CB-CD1 4.06Å; N178-L181 HydrophobicContact CB-CG 4.15Å; N178-L181 PolarHBondContact O-N 3.26Å; N178-L181 PolarHBondContact OD1-N 2.79Å; D179-L181 VanDerWaalsContact C-N 3.32Å; L181-D183 PolarHBondContact O-N 3.07Å |
| 182 | W | 91 | Very high | 86.9 | Confident | 18 Ų | 18 | 62.4 Ų | 62.4 | 7% | 0.068 | 32% | 0.319 | C | S | . | . | trans | -76.9 | 115.7 | -172.6 | -165.1 | -96.2 | 0 | 0 | 0 | 112.5 | M137 L140 Q141 L144 Q172 P176 N178 P184 | M137-W182 HydrophobicContact CB-CZ2 4.41Å; M137-W182 HydrophobicContact CE-CH2 4.08Å; M137-W182 HydrophobicContact CE-CZ2 3.57Å; M137-W182 VanDerWaalsContact O-CZ2 3.27Å; M137-W182 WeakPolarHBondContact O-CZ2 3.46Å; L140-W182 HydrophobicContact CB-CZ2 4.46Å; L140-W182 HydrophobicContact CG-CH2 4.21Å; Q141-W182 VanDerWaalsContact CA-CH2 3.43Å; Q141-W182 HydrophobicContact CB-CD2 3.91Å; Q141-W182 HydrophobicContact CB-CE3 4.3Å; Q141-W182 HydrophobicContact CB-CH2 3.8Å; Q141-W182 HydrophobicContact CB-CZ2 3.33Å; Q141-W182 HydrophobicContact CB-CZ3 4.25Å; Q141-W182 VanDerWaalsContact CD-CD1 3.47Å; Q141-W182 VanDerWaalsContact CD-CG 3.44Å; Q141-W182 HydrophobicContact CG-CD2 3.49Å; Q141-W182 VanDerWaalsContact CG-CD2 3.49Å; Q141-W182 HydrophobicContact CG-CE3 3.75Å; Q141-W182 HydrophobicContact CG-CG 3.98Å; Q141-W182 HydrophobicContact CG-CH2 4.13Å; Q141-W182 HydrophobicContact CG-CZ2 3.88Å; Q141-W182 HydrophobicContact CG-CZ3 4.05Å; Q141-W182 VanDerWaalsContact N-CZ2 3.34Å; Q141-W182 VanDerWaalsContact OE1-CD1 3.23Å; L144-W182 HydrophobicContact CD1-CH2 3.83Å; L144-W182 HydrophobicContact CD1-CZ3 3.95Å; Q172-W182 HydrophobicContact CB-CE3 3.91Å; Q172-W182 HydrophobicContact CB-CZ3 4.41Å; Q172-W182 HydrophobicContact CG-CE3 4.19Å; Q172-W182 HydrophobicContact CG-CZ3 4.31Å; Q172-W182 WeakPolarHBondContact O-CZ3 3.14Å; P176-W182 HydrophobicContact CB-CE3 4.35Å; P176-W182 HydrophobicContact CB-CZ3 4.09Å; N178-W182 PolarHBondContact O-N 2.88Å; W182-P184 WeakPolarHBondContact O-CD 3.34Å | ||
| 183 | D | 89.5 | Confident | 86.6 | Confident | 38 Ų | 38 | 65.9 Ų | 65.9 | 20% | 0.203 | 34% | 0.338 | C | S | . | . | trans | -101.4 | 104.3 | 172 | 173.2 | 17 | 0 | 0 | 0 | 109.5 | L181 R185 F186 K189 | L181-D183 PolarHBondContact O-N 3.07Å; D183-R185 PolarHBondContact O-N 3.24Å; D183-R185 WeakPolarHBondContact OD1-CA 3.42Å; D183-R185 WeakPolarHBondContact OD1-CB 3.4Å; D183-R185 PolarHBondContact OD1-N 3.39Å; D183-R185 IonicContact OD1-NE 3.93Å; D183-F186 HydrophobicContact CB-CB 3.93Å; D183-F186 WeakPolarHBondContact O-CB 3.28Å; D183-F186 PolarHBondContact O-N 2.01Å; D183-K189 IonicContact OD2-NZ 2.74Å; D183-K189 PolarHBondContact OD2-NZ 3.39Å | ||
| 184 | P | 85 | Confident | 86.3 | Confident | 73 Ų | 73 | 71.5 Ų | 71.5 | 47% | 0.474 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -14.4 | 179.7 | 26.3 | -34.5 | 0 | 0 | 0 | 113 | M137 W182 | M137-P184 VanDerWaalsContact CB-O 3.31Å; M137-P184 WeakPolarHBondContact CB-O 3.19Å; M137-P184 WeakPolarHBondContact CG-O 3.5Å; W182-P184 WeakPolarHBondContact O-CD 3.34Å |
| 185 | R | 83 | Confident | 86.1 | Confident | 185 Ų | 185 | 71.4 Ų | 71.4 | 70% | 0.698 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | 13.3 | 176.2 | -56.7 | 172.8 | -67 | -175.4 | -3 | 111.9 | D183 Y187 K189 | D183-R185 PolarHBondContact O-N 3.24Å; D183-R185 WeakPolarHBondContact OD1-CA 3.42Å; D183-R185 WeakPolarHBondContact OD1-CB 3.4Å; D183-R185 PolarHBondContact OD1-N 3.39Å; D183-R185 IonicContact OD1-NE 3.93Å; R185-Y187 VanDerWaalsContact C-N 3.26Å; R185-Y187 PolarHBondContact O-N 2.72Å; R185-K189 WeakPolarHBondContact O-CE 3.34Å; R185-K189 PolarHBondContact O-NZ 3.35Å |
| 186 | F | 82.9 | Confident | 85.8 | Confident | 5 Ų | 5 | 68.5 Ų | 68.5 | 2% | 0.022 | 35% | 0.351 | C | S | . | . | trans | -70.8 | -23 | -175.9 | -166.7 | -123.9 | 0 | 0 | 0 | 113 | M137 H169 F173 D183 K189 R191 F192 C195 | M137-F186 HydrophobicContact CE-CB 3.93Å; M137-F186 HydrophobicContact CE-CD1 4.47Å; H169-F186 HydrophobicContact CB-CE2 4.44Å; H169-F186 AromaticContact CD2-CE2 3.83Å; H169-F186 AromaticContact CD2-CZ 3.29Å; H169-F186 WeakPolarHBondContact CD2-CZ 2.96Å; F173-F186 HydrophobicContact CE2-CD1 4.22Å; F173-F186 AromaticContact CE2-CE1 3.97Å; F173-F186 HydrophobicContact CE2-CE1 3.97Å; F173-F186 HydrophobicContact CZ-CD1 4.38Å; F173-F186 HydrophobicContact CZ-CE1 4.43Å; D183-F186 HydrophobicContact CB-CB 3.93Å; D183-F186 WeakPolarHBondContact O-CB 3.28Å; D183-F186 PolarHBondContact O-N 2.01Å; F186-K189 HydrophobicContact CD2-CD 4.14Å; F186-R191 HydrophobicContact CE2-CB 4.12Å; F186-R191 HydrophobicContact CZ-CB 4.15Å; F186-F192 HydrophobicContact CD1-CB 4.34Å; F186-F192 AromaticContact CD1-CD2 3.47Å; F186-F192 HydrophobicContact CD1-CD2 3.47Å; F186-F192 VanDerWaalsContact CD1-CD2 3.47Å; F186-F192 HydrophobicContact CD1-CE2 4.26Å; F186-F192 HydrophobicContact CD1-CG 4.37Å; F186-F192 HydrophobicContact CE1-CB 4.01Å; F186-F192 AromaticContact CE1-CD2 3.73Å; F186-F192 HydrophobicContact CE1-CD2 3.73Å; F186-F192 HydrophobicContact CE1-CG 4.28Å; F186-F192 HydrophobicContact CG-CD2 4.3Å; F186-F192 HydrophobicContact CZ-CB 4.31Å; F186-C195 HydrophobicContact CE1-CB 4.48Å | ||
| 187 | Y | 75.7 | Confident | 85.5 | Confident | 98 Ų | 98 | 72.3 Ų | 72.3 | 38% | 0.384 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | 147.1 | 176.9 | 77.4 | -85.5 | 0 | 0 | 0 | 112.3 | P133 M137 R185 K189 | P133-Y187 HydrophobicContact CG-CD2 4.15Å; P133-Y187 HydrophobicContact CG-CE2 4.19Å; M137-Y187 HydrophobicContact CG-CD1 3.83Å; M137-Y187 HydrophobicContact CG-CG 4.26Å; R185-Y187 VanDerWaalsContact C-N 3.26Å; R185-Y187 PolarHBondContact O-N 2.72Å; Y187-K189 PolarHBondContact O-N 2.78Å; Y187-K189 VanDerWaalsContact O-N 3.15Å |
| 188 | G | 70.1 | Confident | 85.4 | Confident | 56 Ų | 56 | 71.7 Ų | 71.7 | 58% | 0.577 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | -9.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | F125 | F125-G188 VanDerWaalsContact CE1-CA 3.5Å; F125-G188 VanDerWaalsContact CZ-N 3.29Å |
| 189 | K | 75.9 | Confident | 85.3 | Confident | 78 Ų | 78 | 70 Ų | 70 | 34% | 0.339 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -76 | 142.1 | 174 | -62.3 | 178.3 | -176.9 | 168.1 | 0 | 109.7 | D183 R185 F186 Y187 R191 F192 | D183-K189 IonicContact OD2-NZ 2.74Å; D183-K189 PolarHBondContact OD2-NZ 3.39Å; R185-K189 WeakPolarHBondContact O-CE 3.34Å; R185-K189 PolarHBondContact O-NZ 3.35Å; F186-K189 HydrophobicContact CD2-CD 4.14Å; Y187-K189 PolarHBondContact O-N 2.78Å; Y187-K189 VanDerWaalsContact O-N 3.15Å; K189-R191 PolarHBondContact O-N 3.44Å; K189-R191 VanDerWaalsContact O-N 3.08Å; K189-F192 WeakPolarHBondContact O-CA 3.3Å; K189-F192 WeakPolarHBondContact O-CB 2.96Å; K189-F192 PolarHBondContact O-N 3.04Å |
| 190 | A | 80 | Confident | 85.4 | Confident | 77 Ų | 77 | 66.3 Ų | 66.3 | 64% | 0.636 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -56.5 | -29 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | F192 L193 | A190-F192 VanDerWaalsContact C-N 3.28Å; A190-F192 PolarHBondContact O-N 3.3Å; A190-L193 WeakPolarHBondContact O-CB 3.29Å; A190-L193 PolarHBondContact O-N 3.45Å |
| 191 | R | 84.5 | Confident | 85.4 | Confident | 144 Ų | 144 | 59.6 Ų | 59.6 | 54% | 0.543 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.8 | -24.9 | 174.1 | -66.5 | -167.2 | -67 | -164.5 | -0.2 | 113.6 | H169 F186 K189 K194 C195 | H169-R191 PolarHBondContact NE2-O 2.99Å; F186-R191 HydrophobicContact CE2-CB 4.12Å; F186-R191 HydrophobicContact CZ-CB 4.15Å; K189-R191 PolarHBondContact O-N 3.44Å; K189-R191 VanDerWaalsContact O-N 3.08Å; R191-K194 PolarHBondContact O-N 3.09Å; R191-C195 PolarHBondContact O-N 3.3Å; R191-C195 PolarHBondContact O-SG 2.82Å |
| 192 | F | 85 | Confident | 85.6 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 173.1 | -176.2 | -90.4 | 0 | 0 | 0 | 110.9 | F120 Q124 F125 M137 F173 F186 K189 A190 K194 C195 V196 | F120-F192 HydrophobicContact CE1-CE1 4.48Å; F120-F192 HydrophobicContact CE1-CZ 4.06Å; Q124-F192 HydrophobicContact CG-CE1 4.39Å; Q124-F192 HydrophobicContact CG-CZ 4.17Å; F125-F192 AromaticContact CE2-CD1 3.55Å; F125-F192 HydrophobicContact CE2-CD1 3.55Å; F125-F192 AromaticContact CE2-CE1 3.41Å; F125-F192 HydrophobicContact CE2-CE1 3.41Å; F125-F192 VanDerWaalsContact CE2-CE1 3.41Å; F125-F192 HydrophobicContact CE2-CZ 4.38Å; F125-F192 AromaticContact CZ-CD1 3.67Å; F125-F192 HydrophobicContact CZ-CD1 3.67Å; F125-F192 AromaticContact CZ-CE1 3.78Å; F125-F192 HydrophobicContact CZ-CE1 3.78Å; F125-F192 HydrophobicContact CZ-CG 4.35Å; M137-F192 HydrophobicContact CE-CE2 4.3Å; M137-F192 HydrophobicContact SD-CD2 4.47Å; M137-F192 HydrophobicContact SD-CE2 3.74Å; F173-F192 HydrophobicContact CE1-CE2 4.41Å; F173-F192 HydrophobicContact CZ-CD2 4.21Å; F173-F192 AromaticContact CZ-CE2 3.72Å; F173-F192 HydrophobicContact CZ-CE2 3.72Å; F173-F192 HydrophobicContact CZ-CZ 4.37Å; F186-F192 HydrophobicContact CD1-CB 4.34Å; F186-F192 AromaticContact CD1-CD2 3.47Å; F186-F192 HydrophobicContact CD1-CD2 3.47Å; F186-F192 VanDerWaalsContact CD1-CD2 3.47Å; F186-F192 HydrophobicContact CD1-CE2 4.26Å; F186-F192 HydrophobicContact CD1-CG 4.37Å; F186-F192 HydrophobicContact CE1-CB 4.01Å; F186-F192 AromaticContact CE1-CD2 3.73Å; F186-F192 HydrophobicContact CE1-CD2 3.73Å; F186-F192 HydrophobicContact CE1-CG 4.28Å; F186-F192 HydrophobicContact CG-CD2 4.3Å; F186-F192 HydrophobicContact CZ-CB 4.31Å; K189-F192 WeakPolarHBondContact O-CA 3.3Å; K189-F192 WeakPolarHBondContact O-CB 2.96Å; K189-F192 PolarHBondContact O-N 3.04Å; A190-F192 VanDerWaalsContact C-N 3.28Å; A190-F192 PolarHBondContact O-N 3.3Å; F192-K194 VanDerWaalsContact C-N 3.27Å; F192-K194 PolarHBondContact O-N 3.03Å; F192-C195 WeakPolarHBondContact O-CA 3.44Å; F192-C195 WeakPolarHBondContact O-CB 2.99Å; F192-C195 PolarHBondContact O-N 2.84Å; F192-V196 HydrophobicContact CD1-CG2 3.58Å; F192-V196 HydrophobicContact CE1-CG2 3.22Å; F192-V196 HydrophobicContact CG-CG2 4.5Å; F192-V196 HydrophobicContact CZ-CG2 3.92Å; F192-V196 WeakPolarHBondContact O-CG2 3.45Å; F192-V196 PolarHBondContact O-N 3.23Å |
| 193 | L | 84.7 | Confident | 85.6 | Confident | 77 Ų | 77 | 56 Ų | 56 | 40% | 0.403 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -56 | -44 | 178.3 | -66.1 | 176.4 | 0 | 0 | 0 | 111.6 | Y121 A190 C195 V196 D197 | Y121-L193 HydrophobicContact CD2-CD2 3.37Å; Y121-L193 HydrophobicContact CE2-CD2 3.35Å; Y121-L193 HydrophobicContact CG-CD2 4.47Å; A190-L193 WeakPolarHBondContact O-CB 3.29Å; A190-L193 PolarHBondContact O-N 3.45Å; L193-C195 PolarHBondContact O-N 3.06Å; L193-V196 PolarHBondContact O-N 3.26Å; L193-D197 PolarHBondContact O-N 2.96Å |
| 194 | K | 88.1 | Confident | 85.7 | Confident | 124 Ų | 124 | 57.3 Ų | 57.3 | 54% | 0.539 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.6 | -31.2 | 176.3 | -62.2 | -171.8 | 177.1 | -172.5 | 0 | 113.2 | L167 R191 F192 | L167-K194 HydrophobicContact CD2-CB 3.97Å; L167-K194 HydrophobicContact CD2-CD 4.49Å; R191-K194 PolarHBondContact O-N 3.09Å; F192-K194 VanDerWaalsContact C-N 3.27Å; F192-K194 PolarHBondContact O-N 3.03Å |
| 195 | C | 90.4 | Very high | 86 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -76.6 | -39.6 | 173.8 | -56.2 | 0 | 0 | 0 | 0 | 111.8 | H169 C170 F173 F186 R191 F192 L193 D197 K198 F202 | H169-C195 PolarHBondContact CD2-SG 3.47Å; H169-C195 PolarHBondContact NE2-SG 3.44Å; H169-C195 VanDerWaalsContact NE2-SG 3.38Å; C170-C195 WeakPolarHBondContact CA-SG 3.44Å; C170-C195 HydrophobicContact CB-CB 3.76Å; C170-C195 WeakPolarHBondContact CB-SG 3.42Å; C170-C195 WeakPolarHBondContact SG-CA 3.49Å; C170-C195 WeakPolarHBondContact SG-CB 3.44Å; C170-C195 CovalentContact SG-SG 2.04Å; C170-C195 PolarHBondContact SG-SG 3.25Å; F173-C195 HydrophobicContact CD2-CB 3.98Å; F173-C195 HydrophobicContact CE2-CB 3.6Å; F173-C195 HydrophobicContact CZ-CB 4.43Å; F186-C195 HydrophobicContact CE1-CB 4.48Å; R191-C195 PolarHBondContact O-N 3.3Å; R191-C195 PolarHBondContact O-SG 2.82Å; F192-C195 WeakPolarHBondContact O-CA 3.44Å; F192-C195 WeakPolarHBondContact O-CB 2.99Å; F192-C195 PolarHBondContact O-N 2.84Å; L193-C195 PolarHBondContact O-N 3.06Å; C195-D197 PolarHBondContact O-N 3.46Å; C195-K198 CarbonylContact O-C 3.59Å; C195-K198 WeakPolarHBondContact O-CA 3.42Å; C195-K198 WeakPolarHBondContact O-CB 3.35Å; C195-K198 PolarHBondContact O-N 2.95Å; C195-F202 WeakPolarHBondContact O-CE2 3.5Å |
| 196 | V | 89.1 | Confident | 86.5 | Confident | 6 Ų | 6 | 45.4 Ų | 45.4 | 4% | 0.036 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.6 | -33.7 | 177 | 177.5 | 0 | 0 | 0 | 0 | 111.6 | P117 F120 F192 L193 K198 L199 | P117-V196 HydrophobicContact CB-CG1 4.01Å; P117-V196 WeakPolarHBondContact CB-O 3.45Å; P117-V196 VanDerWaalsContact O-CG1 3.26Å; P117-V196 WeakPolarHBondContact O-CG1 3.45Å; F120-V196 HydrophobicContact CB-CG1 4.4Å; F120-V196 HydrophobicContact CD1-CG1 3.98Å; F120-V196 HydrophobicContact CD1-CG2 3.9Å; F120-V196 HydrophobicContact CE1-CG2 4.07Å; F192-V196 HydrophobicContact CD1-CG2 3.58Å; F192-V196 HydrophobicContact CE1-CG2 3.22Å; F192-V196 HydrophobicContact CG-CG2 4.5Å; F192-V196 HydrophobicContact CZ-CG2 3.92Å; F192-V196 WeakPolarHBondContact O-CG2 3.45Å; F192-V196 PolarHBondContact O-N 3.23Å; L193-V196 PolarHBondContact O-N 3.26Å; V196-K198 PolarHBondContact O-N 3.17Å; V196-K198 VanDerWaalsContact O-N 3.16Å; V196-L199 WeakPolarHBondContact O-CB 3.39Å; V196-L199 PolarHBondContact O-N 3.41Å |
| 197 | D | 88.6 | Confident | 87 | Confident | 80 Ų | 80 | 46.8 Ų | 46.8 | 43% | 0.428 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -22.4 | 173.2 | -65.8 | -24.5 | 0 | 0 | 0 | 113 | Y39 L193 C195 | Y39-D197 PolarHBondContact OH-O 3.29Å; L193-D197 PolarHBondContact O-N 2.96Å; C195-D197 PolarHBondContact O-N 3.46Å |
| 198 | K | 90.5 | Very high | 87.7 | Confident | 29 Ų | 29 | 45.6 Ų | 45.6 | 13% | 0.126 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 7.1 | 175.7 | -56.5 | -60.3 | -173.4 | 173.8 | 0 | 113.1 | Y34 L163 L167 C195 V196 P200 L201 F202 | Y34-K198 PolarHBondContact O-NZ 2.85Å; L163-K198 HydrophobicContact CD2-CB 4.25Å; L163-K198 HydrophobicContact CD2-CG 4.06Å; L167-K198 HydrophobicContact CD1-CG 4.35Å; C195-K198 CarbonylContact O-C 3.59Å; C195-K198 WeakPolarHBondContact O-CA 3.42Å; C195-K198 WeakPolarHBondContact O-CB 3.35Å; C195-K198 PolarHBondContact O-N 2.95Å; V196-K198 PolarHBondContact O-N 3.17Å; V196-K198 VanDerWaalsContact O-N 3.16Å; K198-P200 VanDerWaalsContact C-N 3.33Å; K198-L201 VanDerWaalsContact O-CB 3.26Å; K198-L201 WeakPolarHBondContact O-CB 3.46Å; K198-L201 PolarHBondContact O-N 3.3Å; K198-F202 HydrophobicContact CB-CE1 4.21Å; K198-F202 HydrophobicContact CB-CE2 4.11Å; K198-F202 HydrophobicContact CB-CZ 3.72Å; K198-F202 PolarHBondContact O-N 3.03Å |
| 199 | L | 90.8 | Very high | 88.6 | Confident | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -51.3 | -40.5 | 177.5 | -177.3 | 68.4 | 0 | 0 | 0 | 114.6 | N115 P117 F120 V196 L201 F202 N203 | N115-L199 HydrophobicContact CB-CD2 4.26Å; N115-L199 VanDerWaalsContact O-CD2 3.27Å; N115-L199 WeakPolarHBondContact O-CD2 3.5Å; P117-L199 HydrophobicContact CG-CB 4.4Å; F120-L199 HydrophobicContact CB-CD2 3.46Å; F120-L199 VanDerWaalsContact CB-CD2 3.46Å; F120-L199 HydrophobicContact CD2-CD1 4.06Å; F120-L199 HydrophobicContact CD2-CD2 3.95Å; F120-L199 HydrophobicContact CE2-CD1 4.24Å; F120-L199 HydrophobicContact CG-CD1 4.43Å; F120-L199 HydrophobicContact CG-CD2 3.81Å; V196-L199 WeakPolarHBondContact O-CB 3.39Å; V196-L199 PolarHBondContact O-N 3.41Å; L199-L201 PolarHBondContact O-N 2.92Å; L199-F202 HydrophobicContact CD1-CD2 4.46Å; L199-F202 PolarHBondContact O-N 3.27Å; L199-F202 VanDerWaalsContact O-N 3.16Å; L199-N203 WeakPolarHBondContact O-CB 3.45Å; L199-N203 PolarHBondContact O-N 3.29Å |
| 200 | P | 89.8 | Confident | 89.3 | Confident | 43 Ų | 43 | 41 Ų | 41 | 28% | 0.279 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.9 | -34 | 177.3 | -25.3 | 36 | 0 | 0 | 0 | 113.4 | P117 K198 Q204 | P117-P200 HydrophobicContact CG-CG 4.32Å; K198-P200 VanDerWaalsContact C-N 3.33Å; P200-Q204 WeakPolarHBondContact O-CB 3.33Å; P200-Q204 PolarHBondContact O-N 3.34Å |
| 201 | L | 89.8 | Confident | 89.5 | Confident | 44 Ų | 44 | 40.5 Ų | 40.5 | 23% | 0.23 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.8 | -49.1 | 174.8 | 175.6 | 71.8 | 0 | 0 | 0 | 110.5 | A162 L163 K198 L199 N203 Q204 C205 | A162-L201 HydrophobicContact CB-CD1 4.32Å; A162-L201 HydrophobicContact CB-CD2 3.56Å; L163-L201 HydrophobicContact CD1-CD2 4.4Å; L163-L201 HydrophobicContact CD2-CD2 4.22Å; L163-L201 HydrophobicContact CG-CD2 4Å; K198-L201 VanDerWaalsContact O-CB 3.26Å; K198-L201 WeakPolarHBondContact O-CB 3.46Å; K198-L201 PolarHBondContact O-N 3.3Å; L199-L201 PolarHBondContact O-N 2.92Å; L201-N203 VanDerWaalsContact C-N 3.34Å; L201-N203 PolarHBondContact O-N 3.14Å; L201-Q204 WeakPolarHBondContact O-CB 3.44Å; L201-Q204 PolarHBondContact O-N 2.99Å; L201-C205 PolarHBondContact O-N 3.04Å; L201-C205 VanDerWaalsContact O-N 3.09Å |
| 202 | F | 93 | Very high | 89.4 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 1% | 0.013 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.4 | -45.4 | 178.3 | -50 | -35.4 | 0 | 0 | 0 | 111.2 | L163 C170 F173 C195 K198 L199 Q204 C205 Y206 | L163-F202 HydrophobicContact CD1-CE1 3.76Å; L163-F202 HydrophobicContact CD2-CE1 4.05Å; L163-F202 HydrophobicContact CD2-CZ 4.28Å; L163-F202 HydrophobicContact CG-CE1 4.46Å; C170-F202 HydrophobicContact CB-CZ 4.11Å; F173-F202 HydrophobicContact CB-CD1 4.31Å; F173-F202 HydrophobicContact CB-CD2 3.77Å; F173-F202 HydrophobicContact CB-CE1 4.25Å; F173-F202 HydrophobicContact CB-CE2 3.7Å; F173-F202 HydrophobicContact CB-CG 4.1Å; F173-F202 HydrophobicContact CB-CZ 3.97Å; F173-F202 HydrophobicContact CD2-CE2 4.12Å; F173-F202 HydrophobicContact CD2-CZ 4.38Å; F173-F202 HydrophobicContact CG-CD2 4.23Å; F173-F202 AromaticContact CG-CE2 3.9Å; F173-F202 HydrophobicContact CG-CE2 3.9Å; F173-F202 HydrophobicContact CG-CZ 4.4Å; C195-F202 WeakPolarHBondContact O-CE2 3.5Å; K198-F202 HydrophobicContact CB-CE1 4.21Å; K198-F202 HydrophobicContact CB-CE2 4.11Å; K198-F202 HydrophobicContact CB-CZ 3.72Å; K198-F202 PolarHBondContact O-N 3.03Å; L199-F202 HydrophobicContact CD1-CD2 4.46Å; L199-F202 PolarHBondContact O-N 3.27Å; L199-F202 VanDerWaalsContact O-N 3.16Å; F202-Q204 VanDerWaalsContact C-N 3.26Å; F202-Q204 PolarHBondContact O-N 2.9Å; F202-C205 PolarHBondContact O-N 2.98Å; F202-C205 VanDerWaalsContact O-N 3.12Å; F202-Y206 HydrophobicContact CB-CD2 4.42Å; F202-Y206 HydrophobicContact CB-CE2 3.92Å; F202-Y206 WeakPolarHBondContact O-CD2 3.29Å; F202-Y206 VanDerWaalsContact O-CG 3.28Å; F202-Y206 PolarHBondContact O-N 3.41Å |
| 203 | N | 91.6 | Very high | 89.6 | Confident | 11 Ų | 11 | 40.8 Ų | 40.8 | 6% | 0.059 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.6 | -33.3 | 179.2 | -70.8 | -5 | 0 | 0 | 0 | 112.7 | L113 N115 L199 L201 Y207 | L113-N203 HydrophobicContact CB-CB 4.29Å; L113-N203 HydrophobicContact CD2-CB 4.49Å; L113-N203 PolarHBondContact O-ND2 3.47Å; N115-N203 PolarHBondContact O-ND2 3.41Å; L199-N203 WeakPolarHBondContact O-CB 3.45Å; L199-N203 PolarHBondContact O-N 3.29Å; L201-N203 VanDerWaalsContact C-N 3.34Å; L201-N203 PolarHBondContact O-N 3.14Å; N203-Y207 WeakPolarHBondContact O-CB 3.36Å; N203-Y207 PolarHBondContact O-N 3.46Å |
| 204 | Q | 90.8 | Very high | 89.9 | Confident | 65 Ų | 65 | 38.8 Ų | 38.8 | 30% | 0.304 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -67.1 | -45.5 | 173.3 | -178 | 57.8 | 29.9 | 0 | 0 | 111.3 | P200 L201 F202 Y206 Y207 E208 | P200-Q204 WeakPolarHBondContact O-CB 3.33Å; P200-Q204 PolarHBondContact O-N 3.34Å; L201-Q204 WeakPolarHBondContact O-CB 3.44Å; L201-Q204 PolarHBondContact O-N 2.99Å; F202-Q204 VanDerWaalsContact C-N 3.26Å; F202-Q204 PolarHBondContact O-N 2.9Å; Q204-Y206 VanDerWaalsContact C-N 3.34Å; Q204-Y206 PolarHBondContact O-N 2.94Å; Q204-Y207 WeakPolarHBondContact O-CB 3.41Å; Q204-Y207 PolarHBondContact O-N 3.19Å; Q204-E208 PolarHBondContact NE2-OE1 2.96Å; Q204-E208 WeakPolarHBondContact O-CG 3.45Å; Q204-E208 PolarHBondContact O-N 3.23Å |
| 205 | C | 91.7 | Very high | 90 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.02 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.4 | -39.2 | 176.1 | -66.4 | 0 | 0 | 0 | 0 | 112.7 | L153 C156 L201 F202 E208 A209 | L153-C205 HydrophobicContact CB-CB 4.31Å; L153-C205 HydrophobicContact CD1-CB 4.19Å; C156-C205 HydrophobicContact CB-CB 3.77Å; C156-C205 WeakPolarHBondContact CB-SG 3.5Å; C156-C205 WeakPolarHBondContact SG-CA 3.39Å; C156-C205 WeakPolarHBondContact SG-CB 3.27Å; C156-C205 CovalentContact SG-SG 2.04Å; C156-C205 PolarHBondContact SG-SG 2.89Å; L201-C205 PolarHBondContact O-N 3.04Å; L201-C205 VanDerWaalsContact O-N 3.09Å; F202-C205 PolarHBondContact O-N 2.98Å; F202-C205 VanDerWaalsContact O-N 3.12Å; C205-E208 PolarHBondContact O-N 2.91Å; C205-A209 PolarHBondContact O-N 3.36Å |
| 206 | Y | 94.4 | Very high | 89.9 | Confident | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.6 | -49.3 | 172.2 | -64.4 | -41 | 0 | 0 | 0 | 110.8 | L113 L144 A147 A148 L153 F173 F202 Q204 E208 A209 W210 | L113-Y206 HydrophobicContact CD2-CD2 4Å; L113-Y206 HydrophobicContact CD2-CG 4.27Å; L144-Y206 HydrophobicContact CD2-CE2 4.19Å; A147-Y206 VanDerWaalsContact C-CD1 3.47Å; A147-Y206 HydrophobicContact CB-CD1 3.77Å; A147-Y206 HydrophobicContact CB-CD2 3.8Å; A147-Y206 HydrophobicContact CB-CE1 3.89Å; A147-Y206 HydrophobicContact CB-CE2 3.93Å; A147-Y206 HydrophobicContact CB-CG 3.73Å; A147-Y206 WeakPolarHBondContact O-CD1 3.41Å; A148-Y206 HydrophobicContact CB-CD1 4.17Å; A148-Y206 HydrophobicContact CB-CE1 3.85Å; L153-Y206 HydrophobicContact CD1-CD1 3.39Å; L153-Y206 HydrophobicContact CD1-CE1 3.75Å; L153-Y206 HydrophobicContact CD1-CG 4.45Å; F173-Y206 PolarHBondContact O-OH 2.03Å; F202-Y206 HydrophobicContact CB-CD2 4.42Å; F202-Y206 HydrophobicContact CB-CE2 3.92Å; F202-Y206 WeakPolarHBondContact O-CD2 3.29Å; F202-Y206 VanDerWaalsContact O-CG 3.28Å; F202-Y206 PolarHBondContact O-N 3.41Å; Q204-Y206 VanDerWaalsContact C-N 3.34Å; Q204-Y206 PolarHBondContact O-N 2.94Å; Y206-E208 VanDerWaalsContact C-N 3.28Å; Y206-E208 PolarHBondContact O-N 2.83Å; Y206-A209 WeakPolarHBondContact O-CA 3.43Å; Y206-A209 VanDerWaalsContact O-CB 3.25Å; Y206-A209 WeakPolarHBondContact O-CB 3.4Å; Y206-A209 PolarHBondContact O-N 2.84Å; Y206-W210 PolarHBondContact O-N 3.48Å; Y206-W210 VanDerWaalsContact O-N 3.17Å |
| 207 | Y | 92.1 | Very high | 90 | Very high | 34 Ų | 34 | 38 Ų | 38 | 13% | 0.133 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -54.7 | -44.9 | 177.2 | 176.6 | -103.7 | 0 | 0 | 0 | 112.1 | V83 R85 V88 N203 Q204 A209 W210 I211 | V83-Y207 PolarHBondContact O-OH 3.17Å; R85-Y207 HydrophobicContact CB-CE2 4.13Å; R85-Y207 HydrophobicContact CG-CD2 4.31Å; R85-Y207 HydrophobicContact CG-CE2 4.42Å; V88-Y207 HydrophobicContact CB-CD2 4.26Å; V88-Y207 HydrophobicContact CG1-CD2 4.32Å; V88-Y207 HydrophobicContact CG2-CD2 3.9Å; V88-Y207 HydrophobicContact CG2-CE2 3.85Å; N203-Y207 WeakPolarHBondContact O-CB 3.36Å; N203-Y207 PolarHBondContact O-N 3.46Å; Q204-Y207 WeakPolarHBondContact O-CB 3.41Å; Q204-Y207 PolarHBondContact O-N 3.19Å; Y207-A209 VanDerWaalsContact C-N 3.31Å; Y207-A209 PolarHBondContact O-N 3.3Å; Y207-W210 PolarHBondContact O-N 2.85Å; Y207-W210 VanDerWaalsContact O-N 3.13Å; Y207-I211 HydrophobicContact CD1-CD1 4.22Å; Y207-I211 HydrophobicContact CE1-CD1 3.73Å; Y207-I211 HydrophobicContact CE1-CG2 4.41Å; Y207-I211 HydrophobicContact CE2-CG2 4.07Å; Y207-I211 PolarHBondContact O-N 3.18Å |
| 208 | E | 90 | Very high | 90.1 | Very high | 73 Ų | 73 | 35.2 Ų | 35.2 | 34% | 0.341 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.4 | -36.4 | 175 | -72.2 | 175 | -157.6 | 0 | 0 | 112.9 | Q204 C205 Y206 W210 I211 S212 | Q204-E208 PolarHBondContact NE2-OE1 2.96Å; Q204-E208 WeakPolarHBondContact O-CG 3.45Å; Q204-E208 PolarHBondContact O-N 3.23Å; C205-E208 PolarHBondContact O-N 2.91Å; Y206-E208 VanDerWaalsContact C-N 3.28Å; Y206-E208 PolarHBondContact O-N 2.83Å; E208-W210 VanDerWaalsContact C-N 3.26Å; E208-W210 PolarHBondContact O-N 3.35Å; E208-I211 PolarHBondContact O-N 3.26Å; E208-S212 WeakPolarHBondContact O-CB 3.34Å; E208-S212 PolarHBondContact O-N 3.5Å; E208-S212 VanDerWaalsContact O-N 3.13Å; E208-S212 PolarHBondContact O-OG 3.43Å |
| 209 | A | 90.6 | Very high | 90.1 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 2% | 0.017 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.3 | -31.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | K149 K151 L153 C205 Y206 Y207 S212 | K149-A209 WeakPolarHBondContact CD-O 3.36Å; K151-A209 HydrophobicContact CD-CB 4.24Å; K151-A209 PolarHBondContact NZ-O 3.27Å; L153-A209 HydrophobicContact CD1-CB 4.25Å; L153-A209 HydrophobicContact CD2-CB 3.88Å; C205-A209 PolarHBondContact O-N 3.36Å; Y206-A209 WeakPolarHBondContact O-CA 3.43Å; Y206-A209 VanDerWaalsContact O-CB 3.25Å; Y206-A209 WeakPolarHBondContact O-CB 3.4Å; Y206-A209 PolarHBondContact O-N 2.84Å; Y207-A209 VanDerWaalsContact C-N 3.31Å; Y207-A209 PolarHBondContact O-N 3.3Å; A209-S212 PolarHBondContact O-OG 2.99Å |
| 210 | W | 89.3 | Confident | 90 | Very high | 37 Ų | 37 | 37.9 Ų | 37.9 | 14% | 0.14 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -79 | -33.5 | 179.3 | -78.1 | 95.2 | 0 | 0 | 0 | 113.9 | V88 Q91 F92 C146 A147 K149 Y206 Y207 E208 | V88-W210 HydrophobicContact CB-CB 4.4Å; V88-W210 HydrophobicContact CG1-CB 3.67Å; V88-W210 HydrophobicContact CG1-CD2 4.04Å; V88-W210 HydrophobicContact CG1-CG 3.46Å; V88-W210 VanDerWaalsContact CG1-CG 3.46Å; V88-W210 HydrophobicContact CG2-CB 3.87Å; V88-W210 HydrophobicContact CG2-CG 4.49Å; Q91-W210 HydrophobicContact CB-CE3 4.01Å; Q91-W210 HydrophobicContact CB-CH2 3.83Å; Q91-W210 HydrophobicContact CB-CZ3 3.43Å; Q91-W210 VanDerWaalsContact CB-CZ3 3.43Å; Q91-W210 HydrophobicContact CG-CZ3 4.36Å; Q91-W210 VanDerWaalsContact OE1-CZ3 3.24Å; F92-W210 HydrophobicContact CB-CZ2 4.19Å; C146-W210 VanDerWaalsContact O-CZ2 3.31Å; C146-W210 WeakPolarHBondContact O-CZ2 3.41Å; A147-W210 PolarHBondContact O-NE1 3.29Å; K149-W210 HydrophobicContact CD-CB 4.5Å; K149-W210 HydrophobicContact CD-CD2 3.64Å; K149-W210 HydrophobicContact CD-CE3 3.77Å; K149-W210 HydrophobicContact CD-CG 3.99Å; K149-W210 HydrophobicContact CD-CH2 4.5Å; K149-W210 HydrophobicContact CD-CZ2 4.4Å; K149-W210 HydrophobicContact CD-CZ3 4.19Å; K149-W210 HydrophobicContact CG-CD2 3.96Å; K149-W210 HydrophobicContact CG-CE3 4.29Å; K149-W210 HydrophobicContact CG-CG 4.47Å; K149-W210 HydrophobicContact CG-CH2 4.2Å; K149-W210 HydrophobicContact CG-CZ2 3.87Å; K149-W210 HydrophobicContact CG-CZ3 4.39Å; Y206-W210 PolarHBondContact O-N 3.48Å; Y206-W210 VanDerWaalsContact O-N 3.17Å; Y207-W210 PolarHBondContact O-N 2.85Å; Y207-W210 VanDerWaalsContact O-N 3.13Å; E208-W210 VanDerWaalsContact C-N 3.26Å; E208-W210 PolarHBondContact O-N 3.35Å |
| 211 | I | 85.7 | Confident | 90 | Very high | 66 Ų | 66 | 37.5 Ų | 37.5 | 34% | 0.338 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -92.1 | -6.5 | -178.7 | 67.4 | 173.7 | 0 | 0 | 0 | 113.6 | V83 V88 Y207 E208 | V83-I211 HydrophobicContact CB-CG2 4.11Å; V88-I211 HydrophobicContact CG2-CG2 4.36Å; Y207-I211 HydrophobicContact CD1-CD1 4.22Å; Y207-I211 HydrophobicContact CE1-CD1 3.73Å; Y207-I211 HydrophobicContact CE1-CG2 4.41Å; Y207-I211 HydrophobicContact CE2-CG2 4.07Å; Y207-I211 PolarHBondContact O-N 3.18Å; E208-I211 PolarHBondContact O-N 3.26Å |
| 212 | S | 81.2 | Confident | 90 | Very high | 108 Ų | 108 | 36.9 Ų | 36.9 | 76% | 0.755 | 19% | 0.194 | S | C | * | . | trans | -92 | 0 | 171.9 | 51 | 0 | 0 | 0 | 0 | 112.5 | K151 E208 A209 | K151-S212 PolarHBondContact NZ-OG 3.27Å; K151-S212 PolarHBondContact NZ-OXT 3.26Å; E208-S212 WeakPolarHBondContact O-CB 3.34Å; E208-S212 PolarHBondContact O-N 3.5Å; E208-S212 VanDerWaalsContact O-N 3.13Å; E208-S212 PolarHBondContact O-OG 3.43Å; A209-S212 PolarHBondContact O-OG 2.99Å |
Retrieved 212 of 212 residues in 1543 ms
(Link to these results)