| 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 | 60.1 | Low | 63 | Low | 201 Ų | 201 | 136.9 Ų | 136.9 | 99% | 0.99 | 65% | 0.652 | S | S | * | * | 0 | -41.6 | 0 | -71.1 | -68.3 | -94.6 | 0 | 0 | 111.4 | K3 R4 | M1-K3 PolarHBondContact O-N 3.08Å; M1-R4 PolarHBondContact O-N 3.49Å | |||
| 2 | E | 68.4 | Low | 63.4 | Low | 151 Ų | 151 | 132.8 Ų | 132.8 | 71% | 0.706 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -54.5 | -43.8 | -176.3 | -63.3 | 169.8 | 153.7 | 0 | 0 | 115.6 | R4 E5 L6 | E2-R4 PolarHBondContact O-N 3.37Å; E2-R4 VanDerWaalsContact O-N 3.14Å; E2-E5 PolarHBondContact O-N 3.3Å; E2-E5 VanDerWaalsContact O-N 3.08Å; E2-L6 WeakPolarHBondContact O-CG 3.36Å; E2-L6 PolarHBondContact O-N 3.05Å |
| 3 | K | 67.8 | Low | 64.1 | Low | 171 Ų | 171 | 136.7 Ų | 136.7 | 74% | 0.743 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -58.8 | -32.3 | -179.2 | -165.9 | 175.2 | -176.3 | 177.6 | 0 | 112.9 | M1 L7 | M1-K3 PolarHBondContact O-N 3.08Å; K3-L7 WeakPolarHBondContact O-CD1 3.48Å; K3-L7 WeakPolarHBondContact O-CG 3.3Å; K3-L7 PolarHBondContact O-N 3.32Å |
| 4 | R | 66.5 | Low | 64.6 | Low | 193 Ų | 193 | 133.7 Ų | 133.7 | 73% | 0.728 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -77.4 | -32.9 | -179.8 | -151.4 | 176.5 | -179.1 | 179 | -0.2 | 111.6 | M1 E2 R8 | M1-R4 PolarHBondContact O-N 3.49Å; E2-R4 PolarHBondContact O-N 3.37Å; E2-R4 VanDerWaalsContact O-N 3.14Å; R4-R8 PolarHBondContact O-N 3.08Å |
| 5 | E | 63.1 | Low | 65.2 | Low | 128 Ų | 128 | 127.5 Ų | 127.5 | 60% | 0.598 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -72.3 | -42.3 | 173.3 | -69.7 | -176.7 | 151.5 | 0 | 0 | 111.6 | E2 L7 R8 E9 | E2-E5 PolarHBondContact O-N 3.3Å; E2-E5 VanDerWaalsContact O-N 3.08Å; E5-L7 VanDerWaalsContact C-N 3.3Å; E5-L7 PolarHBondContact O-N 3.49Å; E5-R8 CarbonylContact O-C 3.59Å; E5-R8 WeakPolarHBondContact O-CB 3.45Å; E5-R8 PolarHBondContact O-N 2.81Å; E5-R8 VanDerWaalsContact O-N 3.09Å; E5-E9 PolarHBondContact O-N 3.48Å |
| 6 | L | 62.1 | Low | 66.4 | Low | 125 Ų | 125 | 127.3 Ų | 127.3 | 65% | 0.654 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -61 | -38.1 | 175.1 | -69.8 | 174.7 | 0 | 0 | 0 | 112.5 | E2 E9 A10 | E2-L6 WeakPolarHBondContact O-CG 3.36Å; E2-L6 PolarHBondContact O-N 3.05Å; L6-E9 PolarHBondContact O-N 3.41Å; L6-A10 WeakPolarHBondContact O-CB 3.49Å; L6-A10 PolarHBondContact O-N 3.41Å |
| 7 | L | 61.6 | Low | 67.3 | Low | 113 Ų | 113 | 126.9 Ų | 126.9 | 59% | 0.592 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -64.4 | -41.7 | 173.1 | -78.1 | 161.3 | 0 | 0 | 0 | 111.9 | K3 E5 A10 T11 | K3-L7 WeakPolarHBondContact O-CD1 3.48Å; K3-L7 WeakPolarHBondContact O-CG 3.3Å; K3-L7 PolarHBondContact O-N 3.32Å; E5-L7 VanDerWaalsContact C-N 3.3Å; E5-L7 PolarHBondContact O-N 3.49Å; L7-A10 PolarHBondContact O-N 3.45Å; L7-T11 WeakPolarHBondContact O-CG2 3.34Å; L7-T11 PolarHBondContact O-N 3.44Å |
| 8 | R | 60.8 | Low | 68.3 | Low | 160 Ų | 160 | 122.6 Ų | 122.6 | 60% | 0.604 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.9 | -40.5 | 174 | -82.1 | -179.6 | 168.6 | 176.2 | -5.6 | 111.6 | R4 E5 T11 R12 | R4-R8 PolarHBondContact O-N 3.08Å; E5-R8 CarbonylContact O-C 3.59Å; E5-R8 WeakPolarHBondContact O-CB 3.45Å; E5-R8 PolarHBondContact O-N 2.81Å; E5-R8 VanDerWaalsContact O-N 3.09Å; R8-T11 PolarHBondContact O-N 3.25Å; R8-T11 PolarHBondContact O-OG1 3.46Å; R8-R12 WeakPolarHBondContact O-CG 3.44Å; R8-R12 PolarHBondContact O-N 3.4Å |
| 9 | E | 60.9 | Low | 69.1 | Low | 112 Ų | 112 | 116.9 Ų | 116.9 | 52% | 0.523 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -70.3 | -36.5 | 178.7 | -162.1 | 56.4 | -148.7 | 0 | 0 | 111.9 | E5 L6 T11 R12 | E5-E9 PolarHBondContact O-N 3.48Å; L6-E9 PolarHBondContact O-N 3.41Å; E9-T11 PolarHBondContact O-N 3.06Å; E9-R12 WeakPolarHBondContact O-CB 3.33Å; E9-R12 PolarHBondContact O-N 3.27Å; E9-R12 IonicContact OE2-NH1 3.22Å |
| 10 | A | 59.8 | Low | 69.7 | Low | 49 Ų | 49 | 113.7 Ų | 113.7 | 41% | 0.405 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.8 | -33.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L6 L7 R12 R13 | L6-A10 WeakPolarHBondContact O-CB 3.49Å; L6-A10 PolarHBondContact O-N 3.41Å; L7-A10 PolarHBondContact O-N 3.45Å; A10-R12 PolarHBondContact O-N 2.89Å; A10-R13 WeakPolarHBondContact O-CG 3.39Å |
| 11 | T | 62.4 | Low | 70.4 | Confident | 103 Ų | 103 | 112.7 Ų | 112.7 | 63% | 0.632 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -11.6 | 174.3 | 60 | 0 | 0 | 0 | 0 | 114.3 | L7 R8 E9 | L7-T11 WeakPolarHBondContact O-CG2 3.34Å; L7-T11 PolarHBondContact O-N 3.44Å; R8-T11 PolarHBondContact O-N 3.25Å; R8-T11 PolarHBondContact O-OG1 3.46Å; E9-T11 PolarHBondContact O-N 3.06Å |
| 12 | R | 67.9 | Low | 71.6 | Confident | 88 Ų | 88 | 110.8 Ų | 110.8 | 33% | 0.332 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 5.9 | -178.7 | -69.3 | 174.3 | 177.3 | -170.1 | -2.1 | 114.2 | R8 E9 A10 P14 V130 | R8-R12 WeakPolarHBondContact O-CG 3.44Å; R8-R12 PolarHBondContact O-N 3.4Å; E9-R12 WeakPolarHBondContact O-CB 3.33Å; E9-R12 PolarHBondContact O-N 3.27Å; E9-R12 IonicContact OE2-NH1 3.22Å; A10-R12 PolarHBondContact O-N 2.89Å; R12-P14 WeakPolarHBondContact O-CD 3.36Å; R12-V130 HydrophobicContact CB-CG2 4.47Å |
| 13 | R | 71.5 | Confident | 72.3 | Confident | 183 Ų | 183 | 109 Ų | 109 | 69% | 0.691 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 124.3 | 176.5 | -72.3 | 179.3 | -177.5 | -164.5 | 1.2 | 110.1 | A10 L15 | A10-R13 WeakPolarHBondContact O-CG 3.39Å; R13-L15 PolarHBondContact O-N 3.47Å |
| 14 | P | 71 | Confident | 73 | Confident | 95 Ų | 95 | 106.9 Ų | 106.9 | 62% | 0.617 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 132.6 | 174.7 | -24.5 | 33.3 | 0 | 0 | 0 | 110 | R12 I129 | R12-P14 WeakPolarHBondContact O-CD 3.36Å; P14-I129 HydrophobicContact CG-CD1 4.43Å |
| 15 | L | 74.3 | Confident | 74 | Confident | 40 Ų | 40 | 105.2 Ų | 105.2 | 21% | 0.209 | 50% | 0.504 | C | S | . | . | P | Polyproline II helix | trans | -89.8 | 143.9 | 172.1 | -63.7 | 173.3 | 0 | 0 | 0 | 109.3 | R13 A19 K20 V130 M150 | R13-L15 PolarHBondContact O-N 3.47Å; L15-A19 HydrophobicContact CB-CB 4.38Å; L15-K20 HydrophobicContact CB-CG 4.16Å; L15-K20 WeakPolarHBondContact O-CE 3.34Å; L15-K20 PolarHBondContact O-NZ 3.47Å; L15-K20 VanDerWaalsContact O-NZ 3.12Å; L15-V130 WeakPolarHBondContact CD1-O 3.47Å; L15-M150 HydrophobicContact CD1-SD 4.3Å |
| 16 | D | 83.7 | Confident | 75.2 | Confident | 125 Ų | 125 | 106.1 Ų | 106.1 | 67% | 0.668 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 147.9 | 170.2 | -52.8 | -33.3 | 0 | 0 | 0 | 110.3 | A18 A19 K20 | D16-A18 PolarHBondContact O-N 3.19Å; D16-A19 WeakPolarHBondContact O-CA 3.45Å; D16-A19 WeakPolarHBondContact O-CB 3.34Å; D16-A19 PolarHBondContact O-N 2.77Å; D16-K20 PolarHBondContact O-N 3.13Å; D16-K20 VanDerWaalsContact O-N 3.09Å |
| 17 | D | 82.4 | Confident | 76.1 | Confident | 120 Ų | 120 | 101.6 Ų | 101.6 | 64% | 0.642 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.8 | -34.6 | -176.4 | -68.3 | -26.6 | 0 | 0 | 0 | 112.2 | A19 K20 E21 | D17-A19 VanDerWaalsContact C-N 3.27Å; D17-A19 PolarHBondContact O-N 3.06Å; D17-K20 WeakPolarHBondContact O-CB 3.4Å; D17-K20 PolarHBondContact O-N 3.11Å; D17-K20 IonicContact OD1-NZ 3.32Å; D17-K20 PolarHBondContact OD1-NZ 3.19Å; D17-E21 PolarHBondContact O-N 3.42Å |
| 18 | A | 85.5 | Confident | 77.3 | Confident | 49 Ų | 49 | 100.3 Ų | 100.3 | 41% | 0.405 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.7 | -35.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | D16 R22 | D16-A18 PolarHBondContact O-N 3.19Å; A18-R22 WeakPolarHBondContact O-CB 2.95Å; A18-R22 VanDerWaalsContact O-CG 3.31Å; A18-R22 WeakPolarHBondContact O-CG 3.48Å; A18-R22 PolarHBondContact O-N 3.4Å |
| 19 | A | 83.7 | Confident | 78.5 | Confident | 16 Ų | 16 | 95 Ų | 95 | 13% | 0.132 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -72.6 | -36.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L15 D16 D17 R23 | L15-A19 HydrophobicContact CB-CB 4.38Å; D16-A19 WeakPolarHBondContact O-CA 3.45Å; D16-A19 WeakPolarHBondContact O-CB 3.34Å; D16-A19 PolarHBondContact O-N 2.77Å; D17-A19 VanDerWaalsContact C-N 3.27Å; D17-A19 PolarHBondContact O-N 3.06Å; A19-R23 WeakPolarHBondContact O-CG 3.31Å; A19-R23 PolarHBondContact O-N 2.79Å |
| 20 | K | 80.3 | Confident | 79.5 | Confident | 52 Ų | 52 | 93.9 Ų | 93.9 | 23% | 0.226 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -63 | -47.2 | 173.4 | -63.5 | 176.5 | -166.5 | 140.4 | 0 | 110.9 | L15 D16 D17 R23 Q24 | L15-K20 HydrophobicContact CB-CG 4.16Å; L15-K20 WeakPolarHBondContact O-CE 3.34Å; L15-K20 PolarHBondContact O-NZ 3.47Å; L15-K20 VanDerWaalsContact O-NZ 3.12Å; D16-K20 PolarHBondContact O-N 3.13Å; D16-K20 VanDerWaalsContact O-N 3.09Å; D17-K20 WeakPolarHBondContact O-CB 3.4Å; D17-K20 PolarHBondContact O-N 3.11Å; D17-K20 IonicContact OD1-NZ 3.32Å; D17-K20 PolarHBondContact OD1-NZ 3.19Å; K20-R23 PolarHBondContact O-N 2.8Å; K20-Q24 PolarHBondContact O-N 2.65Å |
| 21 | E | 84.9 | Confident | 80.6 | Confident | 93 Ų | 93 | 96.6 Ų | 96.6 | 44% | 0.435 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63 | -45 | 179.6 | -170.8 | -179.9 | 179.1 | 0 | 0 | 112 | D17 R23 Q24 R25 | D17-E21 PolarHBondContact O-N 3.42Å; E21-R23 VanDerWaalsContact C-N 3.26Å; E21-R23 PolarHBondContact O-N 3.04Å; E21-Q24 PolarHBondContact O-N 3.13Å; E21-Q24 VanDerWaalsContact O-N 3.17Å; E21-R25 WeakPolarHBondContact O-CG 3.34Å; E21-R25 PolarHBondContact O-N 2.78Å; E21-R25 IonicContact OE1-CZ 3.75Å; E21-R25 IonicContact OE1-NE 3.67Å; E21-R25 PolarHBondContact OE1-NE 3.25Å; E21-R25 IonicContact OE1-NH2 2.68Å; E21-R25 PolarHBondContact OE1-NH2 2.87Å |
| 22 | R | 86 | Confident | 81.4 | Confident | 160 Ų | 160 | 98.3 Ų | 98.3 | 60% | 0.604 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -55.9 | -41.8 | 175.1 | -78.8 | -172.9 | -66.1 | -104.5 | 3.8 | 112.4 | A18 K26 | A18-R22 WeakPolarHBondContact O-CB 2.95Å; A18-R22 VanDerWaalsContact O-CG 3.31Å; A18-R22 WeakPolarHBondContact O-CG 3.48Å; A18-R22 PolarHBondContact O-N 3.4Å; R22-K26 PolarHBondContact O-N 2.66Å |
| 23 | R | 81.7 | Confident | 81.7 | Confident | 113 Ų | 113 | 99.8 Ų | 99.8 | 43% | 0.426 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.2 | -44.2 | 177.7 | -72.4 | 176 | -176.4 | -169.7 | 2 | 111.4 | A19 K20 E21 R25 K26 T27 M150 | A19-R23 WeakPolarHBondContact O-CG 3.31Å; A19-R23 PolarHBondContact O-N 2.79Å; K20-R23 PolarHBondContact O-N 2.8Å; E21-R23 VanDerWaalsContact C-N 3.26Å; E21-R23 PolarHBondContact O-N 3.04Å; R23-R25 VanDerWaalsContact C-N 3.35Å; R23-R25 PolarHBondContact O-N 2.64Å; R23-K26 PolarHBondContact O-N 3.46Å; R23-T27 PolarHBondContact O-N 2.87Å; R23-T27 PolarHBondContact O-OG1 3.47Å; R23-M150 PolarHBondContact NH1-SD 3.2Å |
| 24 | Q | 82.3 | Confident | 81.5 | Confident | 127 Ų | 127 | 98 Ų | 98 | 59% | 0.593 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59 | -46.1 | 176.4 | -174.7 | 179 | -2.4 | 0 | 0 | 111.5 | K20 E21 K26 T27 L28 | K20-Q24 PolarHBondContact O-N 2.65Å; E21-Q24 PolarHBondContact O-N 3.13Å; E21-Q24 VanDerWaalsContact O-N 3.17Å; Q24-K26 PolarHBondContact O-N 2.89Å; Q24-T27 PolarHBondContact O-N 3.13Å; Q24-L28 WeakPolarHBondContact O-CG 3.4Å; Q24-L28 PolarHBondContact O-N 3.3Å |
| 25 | R | 88.1 | Confident | 81.1 | Confident | 159 Ų | 159 | 100.2 Ų | 100.2 | 60% | 0.6 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.9 | -42.9 | 176.1 | -70.2 | -177.4 | -173.8 | -163.7 | 2.3 | 112.2 | E21 R23 T27 L28 S29 | E21-R25 WeakPolarHBondContact O-CG 3.34Å; E21-R25 PolarHBondContact O-N 2.78Å; E21-R25 IonicContact OE1-CZ 3.75Å; E21-R25 IonicContact OE1-NE 3.67Å; E21-R25 PolarHBondContact OE1-NE 3.25Å; E21-R25 IonicContact OE1-NH2 2.68Å; E21-R25 PolarHBondContact OE1-NH2 2.87Å; R23-R25 VanDerWaalsContact C-N 3.35Å; R23-R25 PolarHBondContact O-N 2.64Å; R25-T27 VanDerWaalsContact C-N 3.32Å; R25-T27 PolarHBondContact O-N 2.89Å; R25-L28 PolarHBondContact O-N 2.75Å; R25-S29 WeakPolarHBondContact O-CB 3.42Å; R25-S29 PolarHBondContact O-N 3.17Å |
| 26 | K | 87.4 | Confident | 80.4 | Confident | 147 Ų | 147 | 103.4 Ų | 103.4 | 64% | 0.639 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61 | -41.6 | 175.3 | -175.6 | 177.3 | 179.4 | 178.6 | 0 | 111.8 | R22 R23 Q24 S29 L30 | R22-K26 PolarHBondContact O-N 2.66Å; R23-K26 PolarHBondContact O-N 3.46Å; Q24-K26 PolarHBondContact O-N 2.89Å; K26-S29 PolarHBondContact O-N 2.69Å; K26-L30 HydrophobicContact CG-CD1 4.46Å; K26-L30 WeakPolarHBondContact O-CG 3.42Å; K26-L30 PolarHBondContact O-N 3.3Å |
| 27 | T | 82.3 | Confident | 79.3 | Confident | 29 Ų | 29 | 104.4 Ų | 104.4 | 18% | 0.178 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -63 | -46.1 | 176.3 | -63 | 0 | 0 | 0 | 0 | 111.7 | R23 Q24 R25 S29 L30 L31 W152 | R23-T27 PolarHBondContact O-N 2.87Å; R23-T27 PolarHBondContact O-OG1 3.47Å; Q24-T27 PolarHBondContact O-N 3.13Å; R25-T27 VanDerWaalsContact C-N 3.32Å; R25-T27 PolarHBondContact O-N 2.89Å; T27-S29 VanDerWaalsContact C-N 3.31Å; T27-S29 PolarHBondContact O-N 2.96Å; T27-L30 PolarHBondContact O-N 3.11Å; T27-L31 HydrophobicContact CG2-CD1 4.2Å; T27-L31 WeakPolarHBondContact O-CG 3.27Å; T27-L31 PolarHBondContact O-N 3.45Å; T27-W152 HydrophobicContact CG2-CD2 4.47Å; T27-W152 HydrophobicContact CG2-CH2 4.26Å; T27-W152 HydrophobicContact CG2-CZ2 3.73Å |
| 28 | L | 85.6 | Confident | 78.1 | Confident | 86 Ų | 86 | 105.7 Ų | 105.7 | 45% | 0.45 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.8 | -45.2 | 176.2 | -68.8 | 174.8 | 0 | 0 | 0 | 111.1 | Q24 R25 L30 L31 E32 | Q24-L28 WeakPolarHBondContact O-CG 3.4Å; Q24-L28 PolarHBondContact O-N 3.3Å; R25-L28 PolarHBondContact O-N 2.75Å; L28-L30 VanDerWaalsContact C-N 3.33Å; L28-L30 PolarHBondContact O-N 3.46Å; L28-L31 PolarHBondContact O-N 2.87Å; L28-E32 WeakPolarHBondContact O-CB 3.24Å; L28-E32 VanDerWaalsContact O-CG 3.28Å; L28-E32 WeakPolarHBondContact O-CG 3.4Å; L28-E32 PolarHBondContact O-N 3.47Å |
| 29 | S | 86.2 | Confident | 76.6 | Confident | 48 Ų | 48 | 110.4 Ų | 110.4 | 34% | 0.336 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.6 | -38.2 | 176.8 | 178.6 | 0 | 0 | 0 | 0 | 113.3 | R25 K26 T27 E32 Q33 | R25-S29 WeakPolarHBondContact O-CB 3.42Å; R25-S29 PolarHBondContact O-N 3.17Å; K26-S29 PolarHBondContact O-N 2.69Å; T27-S29 VanDerWaalsContact C-N 3.31Å; T27-S29 PolarHBondContact O-N 2.96Å; S29-E32 PolarHBondContact O-N 2.98Å; S29-Q33 VanDerWaalsContact O-CG 3.28Å; S29-Q33 WeakPolarHBondContact O-CG 3.45Å; S29-Q33 PolarHBondContact O-N 2.81Å |
| 30 | L | 83.1 | Confident | 75.1 | Confident | 90 Ų | 90 | 114.6 Ų | 114.6 | 47% | 0.471 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -67.2 | -42.1 | 175.1 | -73.2 | 170.8 | 0 | 0 | 0 | 112.2 | K26 T27 L28 E32 Q33 D34 | K26-L30 HydrophobicContact CG-CD1 4.46Å; K26-L30 WeakPolarHBondContact O-CG 3.42Å; K26-L30 PolarHBondContact O-N 3.3Å; T27-L30 PolarHBondContact O-N 3.11Å; L28-L30 VanDerWaalsContact C-N 3.33Å; L28-L30 PolarHBondContact O-N 3.46Å; L30-E32 VanDerWaalsContact C-N 3.26Å; L30-E32 PolarHBondContact O-N 3.17Å; L30-Q33 PolarHBondContact O-N 3.34Å; L30-D34 PolarHBondContact O-N 3.31Å |
| 31 | L | 82.4 | Confident | 74 | Confident | 106 Ų | 106 | 119.3 Ų | 119.3 | 56% | 0.555 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.7 | -31.7 | 176.2 | -69.6 | 171.4 | 0 | 0 | 0 | 112.2 | T27 L28 | T27-L31 HydrophobicContact CG2-CD1 4.2Å; T27-L31 WeakPolarHBondContact O-CG 3.27Å; T27-L31 PolarHBondContact O-N 3.45Å; L28-L31 PolarHBondContact O-N 2.87Å |
| 32 | E | 78.7 | Confident | 72.2 | Confident | 139 Ų | 139 | 118.9 Ų | 118.9 | 65% | 0.65 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -71 | -34.7 | 174.3 | -73 | 165.4 | -178.4 | 0 | 0 | 111.6 | L28 S29 L30 | L28-E32 WeakPolarHBondContact O-CB 3.24Å; L28-E32 VanDerWaalsContact O-CG 3.28Å; L28-E32 WeakPolarHBondContact O-CG 3.4Å; L28-E32 PolarHBondContact O-N 3.47Å; S29-E32 PolarHBondContact O-N 2.98Å; L30-E32 VanDerWaalsContact C-N 3.26Å; L30-E32 PolarHBondContact O-N 3.17Å |
| 33 | Q | 75.5 | Confident | 70.4 | Confident | 118 Ų | 118 | 118 Ų | 118 | 55% | 0.551 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -73.9 | -33.9 | 179.5 | -76.2 | 172 | 5.3 | 0 | 0 | 114.4 | S29 L30 N35 H36 | S29-Q33 VanDerWaalsContact O-CG 3.28Å; S29-Q33 WeakPolarHBondContact O-CG 3.45Å; S29-Q33 PolarHBondContact O-N 2.81Å; L30-Q33 PolarHBondContact O-N 3.34Å; Q33-N35 PolarHBondContact O-N 3.37Å; Q33-H36 VanDerWaalsContact O-CB 3.27Å; Q33-H36 WeakPolarHBondContact O-CB 3.28Å; Q33-H36 PolarHBondContact O-N 3.44Å |
| 34 | D | 66.3 | Low | 69 | Low | 145 Ų | 145 | 118.1 Ų | 118.1 | 78% | 0.775 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -13.9 | -175.4 | -108.3 | 13.6 | 0 | 0 | 0 | 113.9 | L30 H36 | L30-D34 PolarHBondContact O-N 3.31Å; D34-H36 VanDerWaalsContact C-N 3.27Å; D34-H36 PolarHBondContact O-N 3.46Å |
| 35 | N | 63.2 | Low | 67.4 | Low | 142 Ų | 142 | 120.5 Ų | 120.5 | 76% | 0.759 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -4.3 | 172.5 | -69.6 | -47.6 | 0 | 0 | 0 | 113.6 | Q33 I37 | Q33-N35 PolarHBondContact O-N 3.37Å; N35-I37 PolarHBondContact O-N 2.9Å |
| 36 | H | 59.5 | Low | 65.4 | Low | 107 Ų | 107 | 116 Ų | 116 | 50% | 0.495 | 61% | 0.612 | S | S | . | * | trans | -91 | 81.1 | -177.4 | -164.8 | -98.5 | 0 | 0 | 0 | 111.6 | Q33 D34 E38 | Q33-H36 VanDerWaalsContact O-CB 3.27Å; Q33-H36 WeakPolarHBondContact O-CB 3.28Å; Q33-H36 PolarHBondContact O-N 3.44Å; D34-H36 VanDerWaalsContact C-N 3.27Å; D34-H36 PolarHBondContact O-N 3.46Å; H36-E38 VanDerWaalsContact C-N 3.3Å; H36-E38 VanDerWaalsContact CE1-CB 3.45Å; H36-E38 WeakPolarHBondContact CE1-CB 3.28Å; H36-E38 WeakPolarHBondContact CE1-CG 3.27Å; H36-E38 IonicContact CE1-OE1 3.51Å; H36-E38 PolarHBondContact O-N 2.97Å; H36-E38 VanDerWaalsContact O-N 3.13Å | ||
| 37 | I | 61.1 | Low | 63.9 | Low | 147 Ų | 147 | 114.4 Ų | 114.4 | 75% | 0.754 | 61% | 0.614 | S | S | * | * | trans | -76.3 | 94.7 | 155.2 | -57.3 | 171.9 | 0 | 0 | 0 | 105.8 | N35 E39 | N35-I37 PolarHBondContact O-N 2.9Å; I37-E39 PolarHBondContact O-N 2.98Å | ||
| 38 | E | 56 | Low | 62.3 | Low | 146 Ų | 146 | 123 Ų | 123 | 68% | 0.682 | 65% | 0.649 | S | S | * | * | trans | -63.3 | 95.6 | 161 | -143.2 | 174.9 | -130.8 | 0 | 0 | 105.6 | H36 | H36-E38 VanDerWaalsContact C-N 3.3Å; H36-E38 VanDerWaalsContact CE1-CB 3.45Å; H36-E38 WeakPolarHBondContact CE1-CB 3.28Å; H36-E38 WeakPolarHBondContact CE1-CG 3.27Å; H36-E38 IonicContact CE1-OE1 3.51Å; H36-E38 PolarHBondContact O-N 2.97Å; H36-E38 VanDerWaalsContact O-N 3.13Å | ||
| 39 | E | 53.7 | Low | 61 | Low | 149 Ų | 149 | 129.9 Ų | 129.9 | 70% | 0.696 | 67% | 0.669 | S | S | * | * | trans | -46.6 | 121.4 | 174.2 | -111.4 | -100.3 | 142.8 | 0 | 0 | 106.4 | I37 H41 | I37-E39 PolarHBondContact O-N 2.98Å; E39-H41 PolarHBondContact O-N 2.91Å | ||
| 40 | P | 54 | Low | 59.4 | Low | 103 Ų | 103 | 132.6 Ų | 132.6 | 67% | 0.669 | 69% | 0.686 | S | S | * | * | trans | -54.4 | 109.5 | -169 | -12.2 | 15.7 | 0 | 0 | 0 | 107.4 | S42 | P40-S42 PolarHBondContact O-N 3.11Š| ||
| 41 | H | 56.5 | Low | 58.2 | Low | 152 Ų | 152 | 136.5 Ų | 136.5 | 70% | 0.704 | 70% | 0.701 | S | S | * | * | trans | -53.1 | 114.6 | 168.9 | -105.2 | 63.2 | 0 | 0 | 0 | 104.5 | E39 D43 | E39-H41 PolarHBondContact O-N 2.91Å; H41-D43 PolarHBondContact O-N 3.29Å | ||
| 42 | S | 47.2 | Very low | 56.5 | Low | 84 Ų | 84 | 140.8 Ų | 140.8 | 59% | 0.587 | 72% | 0.716 | S | S | * | * | trans | -59.7 | 83.8 | -162.3 | 57.4 | 0 | 0 | 0 | 0 | 111.4 | P40 V44 | P40-S42 PolarHBondContact O-N 3.11Å; S42-V44 PolarHBondContact O-N 3.05Å | ||
| 43 | D | 48.5 | Very low | 55.3 | Low | 141 Ų | 141 | 137.3 Ų | 137.3 | 75% | 0.754 | 72% | 0.717 | S | S | * | * | trans | -78 | 54.5 | 151.5 | -84.9 | -16.9 | 0 | 0 | 0 | 107.4 | H41 K45 | H41-D43 PolarHBondContact O-N 3.29Å; D43-K45 PolarHBondContact O-N 2.91Å | ||
| 44 | V | 51.9 | Low | 54.1 | Low | 115 Ų | 115 | 139.5 Ų | 139.5 | 70% | 0.697 | 73% | 0.733 | S | S | * | * | trans | -69.9 | 77.1 | 157.5 | -177.1 | 0 | 0 | 0 | 0 | 105.1 | S42 G46 | S42-V44 PolarHBondContact O-N 3.05Å; V44-G46 PolarHBondContact O-N 3.23Å | ||
| 45 | K | 49.2 | Very low | 53.3 | Low | 177 Ų | 177 | 141.1 Ų | 141.1 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | trans | -62.6 | 83.7 | 160.3 | -77.1 | 178.6 | 179.1 | 172.2 | 0 | 107 | D43 T47 | D43-K45 PolarHBondContact O-N 2.91Å; K45-T47 VanDerWaalsContact C-N 3.27Å; K45-T47 PolarHBondContact O-N 3.41Å | ||
| 46 | G | 45.3 | Very low | 52.7 | Low | 65 Ų | 65 | 142.1 Ų | 142.1 | 67% | 0.67 | 74% | 0.741 | S | S | * | * | trans | 32.3 | 41.6 | 152 | 0 | 0 | 0 | 0 | 0 | 119.1 | V44 K48 | V44-G46 PolarHBondContact O-N 3.23Å; G46-K48 PolarHBondContact O-N 3.19Å | ||
| 47 | T | 55.5 | Low | 52.1 | Low | 114 Ų | 114 | 144.1 Ų | 144.1 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | trans | -75.1 | 110.5 | 166.4 | 54.7 | 0 | 0 | 0 | 0 | 107.3 | K45 R49 | K45-T47 VanDerWaalsContact C-N 3.27Å; K45-T47 PolarHBondContact O-N 3.41Å; T47-R49 PolarHBondContact O-N 2.98Å | ||
| 48 | K | 49.5 | Very low | 51.2 | Low | 209 Ų | 209 | 143 Ų | 143 | 91% | 0.909 | 76% | 0.755 | S | S | * | * | trans | -49 | 90.1 | -178.9 | -61.1 | 170.7 | 179.1 | 177.5 | 0 | 111 | G46 | G46-K48 PolarHBondContact O-N 3.19Š| ||
| 49 | R | 57.4 | Low | 50.7 | Low | 230 Ų | 230 | 140.9 Ų | 140.9 | 87% | 0.868 | 76% | 0.757 | S | S | * | * | trans | -103 | 121.9 | 163 | -95.2 | 179.2 | 156.1 | -122.7 | -1.6 | 108 | T47 Q51 | T47-R49 PolarHBondContact O-N 2.98Å; R49-Q51 PolarHBondContact O-N 3.37Å | ||
| 50 | P | 52.9 | Low | 50.2 | Low | 105 Ų | 105 | 138.6 Ų | 138.6 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | trans | -63.5 | 123.8 | -179.9 | -16.2 | 28.7 | 0 | 0 | 0 | 110 | F52 | P50-F52 HydrophobicContact CB-CD2 4.19Å; P50-F52 HydrophobicContact CB-CE2 3.85Å; P50-F52 PolarHBondContact O-N 2.98Å | ||
| 51 | Q | 57.1 | Low | 50 | Low | 172 Ų | 172 | 138.4 Ų | 138.4 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | -88.9 | 100.8 | 171.2 | -171.1 | 177.6 | -2 | 0 | 0 | 107.6 | R49 | R49-Q51 PolarHBondContact O-N 3.37Š| ||
| 52 | F | 48.6 | Very low | 49.7 | Very low | 197 Ų | 197 | 137.6 Ų | 137.6 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | trans | -82 | 121.3 | 166.6 | -73.6 | -89.7 | 0 | 0 | 0 | 108.1 | P50 | P50-F52 HydrophobicContact CB-CD2 4.19Å; P50-F52 HydrophobicContact CB-CE2 3.85Å; P50-F52 PolarHBondContact O-N 2.98Å | ||
| 53 | G | 52.4 | Low | 49.9 | Very low | 65 Ų | 65 | 143.2 Ų | 143.2 | 67% | 0.67 | 77% | 0.771 | S | S | * | * | trans | 174.5 | 85.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 54 | D | 51.2 | Low | 50 | Low | 165 Ų | 165 | 145.9 Ų | 145.9 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | trans | 29.2 | 124.7 | 161.8 | -62.7 | -36.6 | 0 | 0 | 0 | 120.9 | ||||
| 55 | E | 48.2 | Very low | 50 | Low | 178 Ų | 178 | 149.2 Ų | 149.2 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | -56.8 | 127.9 | 169.7 | -56.9 | 174.4 | 114.6 | 0 | 0 | 110 | ||||
| 56 | D | 50.3 | Low | 50.2 | Low | 164 Ų | 164 | 148.5 Ų | 148.5 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | 170.3 | 141.5 | 127.9 | -82.6 | -36.6 | 0 | 0 | 0 | 111.9 | |||||
| 57 | D | 47 | Very low | 50.5 | Low | 148 Ų | 148 | 153.6 Ų | 153.6 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | 86 | 83.6 | 164.9 | -142.4 | 39.2 | 0 | 0 | 0 | 120.4 | ||||
| 58 | V | 43.3 | Very low | 50.5 | Low | 124 Ų | 124 | 155.4 Ų | 155.4 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | 11 | 138 | 124.1 | -156.2 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 59 | S | 44.6 | Very low | 50.7 | Low | 102 Ų | 102 | 153.8 Ų | 153.8 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | trans | 105.8 | 105.9 | 146.1 | -134.3 | 0 | 0 | 0 | 0 | 120 | N61 | S59-N61 PolarHBondContact O-N 3.47Å; S59-N61 VanDerWaalsContact O-N 3.08Å | ||
| 60 | A | 43.6 | Very low | 50.7 | Low | 100 Ų | 100 | 147.2 Ų | 147.2 | 83% | 0.826 | 74% | 0.739 | S | S | * | * | S | Bend | trans | 65.4 | 8.4 | 135.8 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||
| 61 | N | 50.5 | Low | 50.9 | Low | 99 Ų | 99 | 145.3 Ų | 145.3 | 53% | 0.529 | 73% | 0.728 | S | S | . | * | trans | -116.1 | 17.8 | -176.7 | -102.7 | -35.2 | 0 | 0 | 0 | 117.5 | S59 K63 R64 R65 | S59-N61 PolarHBondContact O-N 3.47Å; S59-N61 VanDerWaalsContact O-N 3.08Å; N61-K63 VanDerWaalsContact C-N 3.3Å; N61-K63 PolarHBondContact O-N 3.49Å; N61-K63 VanDerWaalsContact O-N 3.08Å; N61-R64 PolarHBondContact O-N 2.9Å; N61-R65 PolarHBondContact O-N 3.24Å | ||
| 62 | N | 49.9 | Very low | 50.7 | Low | 136 Ų | 136 | 141.8 Ų | 141.8 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -63.4 | -20.1 | -167.4 | -88 | -18.7 | 0 | 0 | 0 | 116.8 | ||
| 63 | K | 52 | Low | 51.1 | Low | 202 Ų | 202 | 137.2 Ų | 137.2 | 88% | 0.878 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -80.3 | -27.8 | 174.5 | -69.9 | -178.1 | -179.3 | 175.4 | 0 | 113.2 | N61 | N61-K63 VanDerWaalsContact C-N 3.3Å; N61-K63 PolarHBondContact O-N 3.49Å; N61-K63 VanDerWaalsContact O-N 3.08Å |
| 64 | R | 50.4 | Low | 51.2 | Low | 197 Ų | 197 | 143.8 Ų | 143.8 | 74% | 0.743 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -80.9 | -35.1 | 178.7 | -79.9 | -179.2 | 157.8 | -170.6 | -5.4 | 112.6 | N61 K66 K67 K68 | N61-R64 PolarHBondContact O-N 2.9Å; R64-K66 PolarHBondContact O-N 3.37Å; R64-K67 PolarHBondContact O-N 3.45Å; R64-K68 PolarHBondContact O-N 3.34Å |
| 65 | R | 51.6 | Low | 51.4 | Low | 184 Ų | 184 | 139.9 Ų | 139.9 | 69% | 0.694 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -65.2 | -36.6 | 178.1 | -91.9 | 179.6 | 146.8 | -177.7 | -2.2 | 113.6 | N61 K67 K68 R69 | N61-R65 PolarHBondContact O-N 3.24Å; R65-K67 VanDerWaalsContact C-N 3.34Å; R65-K67 PolarHBondContact O-N 3.3Å; R65-K68 PolarHBondContact O-N 3.04Å; R65-R69 PolarHBondContact O-N 3.47Å |
| 66 | K | 52.8 | Low | 51.7 | Low | 163 Ų | 163 | 141.8 Ų | 141.8 | 71% | 0.709 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -66.6 | -35.1 | 179.6 | -149.7 | 171.4 | -174.9 | 177.3 | 0 | 112.4 | R64 R69 I70 | R64-K66 PolarHBondContact O-N 3.37Å; K66-R69 PolarHBondContact O-N 2.97Å; K66-I70 PolarHBondContact O-N 3.41Å |
| 67 | K | 53 | Low | 52.1 | Low | 172 Ų | 172 | 137.1 Ų | 137.1 | 75% | 0.748 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -69.2 | -34.5 | 176.8 | -144.7 | 168.8 | -175.4 | 176.8 | 0 | 112.4 | R64 R65 S71 | R64-K67 PolarHBondContact O-N 3.45Å; R65-K67 VanDerWaalsContact C-N 3.34Å; R65-K67 PolarHBondContact O-N 3.3Å; K67-S71 PolarHBondContact O-N 2.88Å |
| 68 | K | 55.2 | Low | 53 | Low | 152 Ų | 152 | 141.1 Ų | 141.1 | 66% | 0.661 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -73.3 | -26.7 | 177.5 | -148.7 | 176.6 | -173.3 | -178.9 | 0 | 113.5 | R64 R65 S71 N72 | R64-K68 PolarHBondContact O-N 3.34Å; R65-K68 PolarHBondContact O-N 3.04Å; K68-S71 PolarHBondContact O-OG 2.77Å; K68-N72 PolarHBondContact O-N 3.04Å |
| 69 | R | 53.4 | Low | 54.4 | Low | 175 Ų | 175 | 140.3 Ų | 140.3 | 66% | 0.66 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -72.7 | -41.4 | 174.5 | -101.2 | -175.7 | 164.3 | -169.3 | -3.1 | 112.5 | R65 K66 S71 N72 I73 | R65-R69 PolarHBondContact O-N 3.47Å; K66-R69 PolarHBondContact O-N 2.97Å; R69-S71 VanDerWaalsContact C-N 3.34Å; R69-S71 PolarHBondContact O-N 3.41Å; R69-N72 PolarHBondContact O-N 3.18Å; R69-I73 WeakPolarHBondContact O-CG1 3.48Å; R69-I73 PolarHBondContact O-N 3.17Å |
| 70 | I | 56.8 | Low | 56.1 | Low | 92 Ų | 92 | 137.8 Ų | 137.8 | 47% | 0.472 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -66.1 | -37.1 | 179.5 | -65.1 | 165.4 | 0 | 0 | 0 | 111.1 | K66 I73 R74 | K66-I70 PolarHBondContact O-N 3.41Å; I70-I73 PolarHBondContact O-N 3.06Å; I70-R74 PolarHBondContact O-N 3.21Å |
| 71 | S | 56.4 | Low | 58 | Low | 64 Ų | 64 | 138.6 Ų | 138.6 | 45% | 0.448 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -66.1 | -36.3 | 174.7 | 57.7 | 0 | 0 | 0 | 0 | 112.8 | K67 K68 R69 A75 | K67-S71 PolarHBondContact O-N 2.88Å; K68-S71 PolarHBondContact O-OG 2.77Å; R69-S71 VanDerWaalsContact C-N 3.34Å; R69-S71 PolarHBondContact O-N 3.41Å; S71-A75 PolarHBondContact O-N 3.04Å |
| 72 | N | 54.7 | Low | 59.7 | Low | 98 Ų | 98 | 140.9 Ų | 140.9 | 52% | 0.524 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -74.7 | -26.7 | 176.9 | -79.9 | 0.9 | 0 | 0 | 0 | 113.5 | K68 R69 A75 R76 | K68-N72 PolarHBondContact O-N 3.04Å; R69-N72 PolarHBondContact O-N 3.18Å; N72-A75 PolarHBondContact O-N 3.19Å; N72-R76 WeakPolarHBondContact O-CG 3.26Å; N72-R76 PolarHBondContact O-N 3.22Å; N72-R76 VanDerWaalsContact O-N 3.11Å |
| 73 | I | 55.9 | Low | 61.4 | Low | 101 Ų | 101 | 138.1 Ų | 138.1 | 52% | 0.518 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -70.3 | -41.3 | 174.2 | -70.1 | 164.1 | 0 | 0 | 0 | 110.2 | R69 I70 A75 R76 C77 | R69-I73 WeakPolarHBondContact O-CG1 3.48Å; R69-I73 PolarHBondContact O-N 3.17Å; I70-I73 PolarHBondContact O-N 3.06Å; I73-A75 VanDerWaalsContact C-N 3.3Å; I73-A75 PolarHBondContact O-N 3.43Å; I73-R76 CarbonylContact O-C 3.48Å; I73-R76 PolarHBondContact O-N 2.99Å; I73-R76 VanDerWaalsContact O-N 3.13Å; I73-C77 PolarHBondContact O-N 3.42Å |
| 74 | R | 54.6 | Low | 63 | Low | 203 Ų | 203 | 132.2 Ų | 132.2 | 77% | 0.766 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -65.9 | -30.9 | 173.3 | -70.5 | -176.7 | -173.9 | 172.5 | 0.1 | 113.2 | I70 R76 | I70-R74 PolarHBondContact O-N 3.21Å; R74-R76 VanDerWaalsContact C-N 3.32Å |
| 75 | A | 55.2 | Low | 64.9 | Low | 83 Ų | 83 | 124.6 Ų | 124.6 | 69% | 0.686 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -75.5 | -18.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S71 N72 I73 | S71-A75 PolarHBondContact O-N 3.04Å; N72-A75 PolarHBondContact O-N 3.19Å; I73-A75 VanDerWaalsContact C-N 3.3Å; I73-A75 PolarHBondContact O-N 3.43Å |
| 76 | R | 55.2 | Low | 66.7 | Low | 219 Ų | 219 | 120.6 Ų | 120.6 | 83% | 0.826 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -99.2 | -12.7 | 175.1 | -77 | -177.2 | 172.7 | 178.6 | -2.4 | 113.9 | N72 I73 R74 R78 | N72-R76 WeakPolarHBondContact O-CG 3.26Å; N72-R76 PolarHBondContact O-N 3.22Å; N72-R76 VanDerWaalsContact O-N 3.11Å; I73-R76 CarbonylContact O-C 3.48Å; I73-R76 PolarHBondContact O-N 2.99Å; I73-R76 VanDerWaalsContact O-N 3.13Å; R74-R76 VanDerWaalsContact C-N 3.32Å; R76-R78 PolarHBondContact O-N 3.36Å |
| 77 | C | 57.7 | Low | 68.4 | Low | 66 Ų | 66 | 116.6 Ų | 116.6 | 45% | 0.446 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -65.8 | 108.7 | 170.3 | -153.4 | 0 | 0 | 0 | 0 | 107.1 | I73 K79 | I73-C77 PolarHBondContact O-N 3.42Å; C77-K79 PolarHBondContact O-N 2.91Å; C77-K79 VanDerWaalsContact O-N 3.13Å |
| 78 | R | 66.6 | Low | 70.1 | Confident | 231 Ų | 231 | 111.2 Ų | 111.2 | 87% | 0.872 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -59 | 118.8 | 178 | -69.3 | 178.1 | 174.1 | 175.5 | -1.4 | 107.3 | R76 T80 | R76-R78 PolarHBondContact O-N 3.36Å; R78-T80 PolarHBondContact O-N 3.4Å |
| 79 | K | 73 | Confident | 71.7 | Confident | 108 Ų | 108 | 110.1 Ų | 110.1 | 47% | 0.47 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 136.5 | 174 | -62 | -178.5 | -172.7 | -172.4 | 0 | 108.1 | C77 I83 L84 E87 | C77-K79 PolarHBondContact O-N 2.91Å; C77-K79 VanDerWaalsContact O-N 3.13Å; K79-I83 HydrophobicContact CB-CB 4.3Å; K79-I83 HydrophobicContact CB-CG2 4.08Å; K79-I83 HydrophobicContact CD-CG2 4.16Å; K79-I83 HydrophobicContact CG-CG2 4.25Å; K79-L84 HydrophobicContact CB-CD2 3.9Å; K79-L84 HydrophobicContact CB-CG 3.94Å; K79-L84 HydrophobicContact CD-CD2 3.78Å; K79-L84 HydrophobicContact CG-CD2 4.44Å; K79-E87 WeakPolarHBondContact CD-OE1 3.41Å; K79-E87 WeakPolarHBondContact CD-OE2 3.28Å; K79-E87 WeakPolarHBondContact CE-OE1 3.47Å; K79-E87 IonicContact NZ-OE1 2.65Å; K79-E87 PolarHBondContact NZ-OE1 2.95Å; K79-E87 IonicContact NZ-OE2 2.64Å; K79-E87 PolarHBondContact NZ-OE2 3.44Å |
| 80 | T | 80.6 | Confident | 73.4 | Confident | 48 Ų | 48 | 108.9 Ų | 108.9 | 29% | 0.294 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 156.7 | 171.8 | 62.2 | 0 | 0 | 0 | 0 | 109 | R78 E82 I83 L84 | R78-T80 PolarHBondContact O-N 3.4Å; T80-E82 PolarHBondContact O-N 3.22Å; T80-I83 HydrophobicContact CG2-CD1 4.44Å; T80-I83 PolarHBondContact O-N 3.47Å; T80-I83 VanDerWaalsContact O-N 3.11Å; T80-I83 WeakPolarHBondContact OG1-CD1 3.46Å; T80-I83 VanDerWaalsContact OG1-CG1 3.28Å; T80-I83 WeakPolarHBondContact OG1-CG1 3.49Å; T80-I83 PolarHBondContact OG1-N 3.32Å; T80-L84 PolarHBondContact O-N 2.97Å |
| 81 | F | 83 | Confident | 74.9 | Confident | 117 Ų | 117 | 108.3 Ų | 108.3 | 51% | 0.513 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -57.4 | -37.7 | 176.7 | -177.2 | -116.1 | 0 | 0 | 0 | 111.7 | I83 L84 L85 Y101 | F81-I83 PolarHBondContact O-N 3.21Å; F81-L84 WeakPolarHBondContact O-CB 3.47Å; F81-L84 PolarHBondContact O-N 3.03Å; F81-L85 HydrophobicContact CD1-CD1 3.93Å; F81-L85 HydrophobicContact CD1-CG 4.28Å; F81-L85 HydrophobicContact CE1-CD1 3.51Å; F81-L85 HydrophobicContact CE1-CD2 4.21Å; F81-L85 HydrophobicContact CE1-CG 3.92Å; F81-L85 HydrophobicContact CE2-CD2 4.18Å; F81-L85 HydrophobicContact CE2-CG 4.28Å; F81-L85 HydrophobicContact CZ-CD1 3.96Å; F81-L85 HydrophobicContact CZ-CD2 3.76Å; F81-L85 HydrophobicContact CZ-CG 3.91Å; F81-L85 WeakPolarHBondContact O-CG 3.41Å; F81-L85 PolarHBondContact O-N 3.49Å; F81-Y101 HydrophobicContact CE2-CE2 4.37Å; F81-Y101 HydrophobicContact CZ-CE1 4.17Å; F81-Y101 AromaticContact CZ-CE2 3.89Å; F81-Y101 HydrophobicContact CZ-CE2 3.89Å; F81-Y101 AromaticContact CZ-CZ 3.57Å; F81-Y101 WeakPolarHBondContact CZ-OH 3.28Å |
| 82 | E | 85.4 | Confident | 76.4 | Confident | 147 Ų | 147 | 106.1 Ų | 106.1 | 69% | 0.687 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.4 | -45.9 | 174 | -65.2 | 177.2 | 175.2 | 0 | 0 | 112.5 | T80 L84 L85 D86 | T80-E82 PolarHBondContact O-N 3.22Å; E82-L84 VanDerWaalsContact C-N 3.31Å; E82-L84 PolarHBondContact O-N 3.25Å; E82-L85 PolarHBondContact O-N 3.24Å; E82-D86 PolarHBondContact O-N 2.94Å |
| 83 | I | 86 | Confident | 77.8 | Confident | 78 Ų | 78 | 108.8 Ų | 108.8 | 40% | 0.4 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.9 | -40.2 | 176.6 | -67.9 | 163.9 | 0 | 0 | 0 | 110.8 | K79 T80 F81 L85 D86 E87 | K79-I83 HydrophobicContact CB-CB 4.3Å; K79-I83 HydrophobicContact CB-CG2 4.08Å; K79-I83 HydrophobicContact CD-CG2 4.16Å; K79-I83 HydrophobicContact CG-CG2 4.25Å; T80-I83 HydrophobicContact CG2-CD1 4.44Å; T80-I83 PolarHBondContact O-N 3.47Å; T80-I83 VanDerWaalsContact O-N 3.11Å; T80-I83 WeakPolarHBondContact OG1-CD1 3.46Å; T80-I83 VanDerWaalsContact OG1-CG1 3.28Å; T80-I83 WeakPolarHBondContact OG1-CG1 3.49Å; T80-I83 PolarHBondContact OG1-N 3.32Å; F81-I83 PolarHBondContact O-N 3.21Å; I83-L85 VanDerWaalsContact C-N 3.34Å; I83-D86 PolarHBondContact O-N 3.45Å; I83-E87 HydrophobicContact CG2-CG 4.45Å; I83-E87 WeakPolarHBondContact O-CG 3.35Å; I83-E87 PolarHBondContact O-N 3.47Å |
| 84 | L | 86.5 | Confident | 79 | Confident | 79 Ų | 79 | 105.3 Ų | 105.3 | 41% | 0.414 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.1 | -39.8 | 177.1 | -67.9 | 173.2 | 0 | 0 | 0 | 111.9 | K79 T80 F81 E82 E87 E88 | K79-L84 HydrophobicContact CB-CD2 3.9Å; K79-L84 HydrophobicContact CB-CG 3.94Å; K79-L84 HydrophobicContact CD-CD2 3.78Å; K79-L84 HydrophobicContact CG-CD2 4.44Å; T80-L84 PolarHBondContact O-N 2.97Å; F81-L84 WeakPolarHBondContact O-CB 3.47Å; F81-L84 PolarHBondContact O-N 3.03Å; E82-L84 VanDerWaalsContact C-N 3.31Å; E82-L84 PolarHBondContact O-N 3.25Å; L84-E87 PolarHBondContact O-N 3.35Å; L84-E88 WeakPolarHBondContact O-CB 3.4Å; L84-E88 PolarHBondContact O-N 3.09Å |
| 85 | L | 89 | Confident | 80.3 | Confident | 37 Ų | 37 | 96.5 Ų | 96.5 | 19% | 0.194 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -63.8 | -43 | 175 | -71.3 | -178.9 | 0 | 0 | 0 | 112 | F81 E82 I83 E88 Y89 Y101 F102 | F81-L85 HydrophobicContact CD1-CD1 3.93Å; F81-L85 HydrophobicContact CD1-CG 4.28Å; F81-L85 HydrophobicContact CE1-CD1 3.51Å; F81-L85 HydrophobicContact CE1-CD2 4.21Å; F81-L85 HydrophobicContact CE1-CG 3.92Å; F81-L85 HydrophobicContact CE2-CD2 4.18Å; F81-L85 HydrophobicContact CE2-CG 4.28Å; F81-L85 HydrophobicContact CZ-CD1 3.96Å; F81-L85 HydrophobicContact CZ-CD2 3.76Å; F81-L85 HydrophobicContact CZ-CG 3.91Å; F81-L85 WeakPolarHBondContact O-CG 3.41Å; F81-L85 PolarHBondContact O-N 3.49Å; E82-L85 PolarHBondContact O-N 3.24Å; I83-L85 VanDerWaalsContact C-N 3.34Å; L85-E88 PolarHBondContact O-N 3.49Å; L85-Y89 VanDerWaalsContact O-CB 3.27Å; L85-Y89 WeakPolarHBondContact O-CB 3.32Å; L85-Y89 PolarHBondContact O-N 3.34Å; L85-Y101 HydrophobicContact CD2-CD1 3.23Å; L85-Y101 HydrophobicContact CD2-CE1 3.33Å; L85-Y101 HydrophobicContact CD2-CG 3.89Å; L85-F102 HydrophobicContact CB-CZ 4.41Å; L85-F102 HydrophobicContact CD2-CZ 4.37Å; L85-F102 WeakPolarHBondContact O-CZ 3.33Å |
| 86 | D | 88.9 | Confident | 81.6 | Confident | 99 Ų | 99 | 97.7 Ų | 97.7 | 53% | 0.529 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.8 | -41.9 | 177.8 | -79.1 | -12.2 | 0 | 0 | 0 | 111.9 | E82 I83 Y89 Q90 | E82-D86 PolarHBondContact O-N 2.94Å; I83-D86 PolarHBondContact O-N 3.45Å; D86-Y89 PolarHBondContact O-N 3.41Å; D86-Q90 VanDerWaalsContact O-CG 3.28Å; D86-Q90 WeakPolarHBondContact O-CG 3.1Å; D86-Q90 PolarHBondContact O-N 2.69Å |
| 87 | E | 89.1 | Confident | 82.9 | Confident | 79 Ų | 79 | 90.9 Ų | 90.9 | 37% | 0.369 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 175.2 | -75 | 179 | 175.1 | 0 | 0 | 111.6 | K79 I83 L84 Q90 A91 | K79-E87 WeakPolarHBondContact CD-OE1 3.41Å; K79-E87 WeakPolarHBondContact CD-OE2 3.28Å; K79-E87 WeakPolarHBondContact CE-OE1 3.47Å; K79-E87 IonicContact NZ-OE1 2.65Å; K79-E87 PolarHBondContact NZ-OE1 2.95Å; K79-E87 IonicContact NZ-OE2 2.64Å; K79-E87 PolarHBondContact NZ-OE2 3.44Å; I83-E87 HydrophobicContact CG2-CG 4.45Å; I83-E87 WeakPolarHBondContact O-CG 3.35Å; I83-E87 PolarHBondContact O-N 3.47Å; L84-E87 PolarHBondContact O-N 3.35Å; E87-Q90 PolarHBondContact O-N 2.86Å; E87-A91 VanDerWaalsContact O-CB 3.3Å; E87-A91 WeakPolarHBondContact O-CB 3.46Å; E87-A91 PolarHBondContact O-N 3.33Å |
| 88 | E | 88.5 | Confident | 84.1 | Confident | 59 Ų | 59 | 90.8 Ų | 90.8 | 28% | 0.276 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -68.1 | -37.5 | 176.7 | -174.2 | 169.9 | -165.2 | 0 | 0 | 112.1 | L84 L85 Q90 A91 T92 C100 Y101 F102 | L84-E88 WeakPolarHBondContact O-CB 3.4Å; L84-E88 PolarHBondContact O-N 3.09Å; L85-E88 PolarHBondContact O-N 3.49Å; E88-Q90 VanDerWaalsContact C-N 3.31Å; E88-Q90 PolarHBondContact O-N 3.1Å; E88-A91 PolarHBondContact O-N 2.71Å; E88-T92 HydrophobicContact CG-CG2 4.05Å; E88-T92 WeakPolarHBondContact O-CB 3.45Å; E88-T92 WeakPolarHBondContact O-CG2 3.27Å; E88-T92 PolarHBondContact O-N 3.4Å; E88-T92 PolarHBondContact O-OG1 2.7Å; E88-C100 HydrophobicContact CG-CB 4.31Å; E88-C100 WeakPolarHBondContact OE1-CA 3.21Å; E88-C100 VanDerWaalsContact OE1-CB 3.31Å; E88-C100 WeakPolarHBondContact OE1-CB 3.46Å; E88-Y101 WeakPolarHBondContact OE1-CB 3.43Å; E88-Y101 PolarHBondContact OE1-N 3.49Å; E88-Y101 WeakPolarHBondContact OE2-CB 3.06Å; E88-F102 HydrophobicContact CB-CE2 4.26Å; E88-F102 HydrophobicContact CG-CE2 4.18Å |
| 89 | Y | 90.2 | Very high | 85 | Confident | 130 Ų | 130 | 84.9 Ų | 84.9 | 51% | 0.51 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 176.8 | -174.4 | -93.7 | 0 | 0 | 0 | 110.7 | L85 D86 K93 G94 F102 | L85-Y89 VanDerWaalsContact O-CB 3.27Å; L85-Y89 WeakPolarHBondContact O-CB 3.32Å; L85-Y89 PolarHBondContact O-N 3.34Å; D86-Y89 PolarHBondContact O-N 3.41Å; Y89-K93 CarbonylContact O-C 3.56Å; Y89-K93 VanDerWaalsContact O-CA 3.24Å; Y89-K93 WeakPolarHBondContact O-CA 3.41Å; Y89-K93 PolarHBondContact O-N 3.17Å; Y89-G94 VanDerWaalsContact CD2-CA 3.48Å; Y89-G94 PolarHBondContact O-N 3.06Å; Y89-F102 HydrophobicContact CD2-CD2 4.44Å; Y89-F102 HydrophobicContact CD2-CE1 4.16Å; Y89-F102 HydrophobicContact CD2-CE2 4.03Å; Y89-F102 AromaticContact CD2-CZ 3.88Å; Y89-F102 HydrophobicContact CD2-CZ 3.88Å; Y89-F102 HydrophobicContact CG-CE2 4.38Å; Y89-F102 HydrophobicContact CG-CZ 4.29Å |
| 90 | Q | 88.9 | Confident | 85.7 | Confident | 148 Ų | 148 | 80.2 Ų | 80.2 | 69% | 0.692 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -67.7 | -44.4 | 175.1 | -69.9 | 173.3 | 35.2 | 0 | 0 | 111.9 | D86 E87 E88 T92 | D86-Q90 VanDerWaalsContact O-CG 3.28Å; D86-Q90 WeakPolarHBondContact O-CG 3.1Å; D86-Q90 PolarHBondContact O-N 2.69Å; E87-Q90 PolarHBondContact O-N 2.86Å; E88-Q90 VanDerWaalsContact C-N 3.31Å; E88-Q90 PolarHBondContact O-N 3.1Å; Q90-T92 VanDerWaalsContact C-N 3.34Å; Q90-T92 PolarHBondContact O-N 3.04Å |
| 91 | A | 88.1 | Confident | 86.1 | Confident | 81 Ų | 81 | 83.7 Ų | 83.7 | 67% | 0.669 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63.8 | -38.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E87 E88 | E87-A91 VanDerWaalsContact O-CB 3.3Å; E87-A91 WeakPolarHBondContact O-CB 3.46Å; E87-A91 PolarHBondContact O-N 3.33Å; E88-A91 PolarHBondContact O-N 2.71Å |
| 92 | T | 86.6 | Confident | 86.3 | Confident | 17 Ų | 17 | 81.6 Ų | 81.6 | 10% | 0.104 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -99.7 | -1 | -174 | 65.2 | 0 | 0 | 0 | 0 | 113.1 | E88 Q90 G94 G95 T96 T97 C100 | E88-T92 HydrophobicContact CG-CG2 4.05Å; E88-T92 WeakPolarHBondContact O-CB 3.45Å; E88-T92 WeakPolarHBondContact O-CG2 3.27Å; E88-T92 PolarHBondContact O-N 3.4Å; E88-T92 PolarHBondContact O-OG1 2.7Å; Q90-T92 VanDerWaalsContact C-N 3.34Å; Q90-T92 PolarHBondContact O-N 3.04Å; T92-G94 VanDerWaalsContact C-N 3.34Å; T92-G94 PolarHBondContact O-N 2.68Å; T92-G95 PolarHBondContact O-N 2.91Å; T92-G95 VanDerWaalsContact O-N 3.17Å; T92-G95 PolarHBondContact OG1-N 2.96Å; T92-T96 PolarHBondContact O-N 2.98Å; T92-T96 VanDerWaalsContact O-N 3.11Å; T92-T96 PolarHBondContact O-OG1 3.21Å; T92-T97 WeakPolarHBondContact CA-OG1 3.45Å; T92-T97 PolarHBondContact O-N 3.23Å; T92-T97 PolarHBondContact O-OG1 3.39Å; T92-C100 HydrophobicContact CG2-CB 3.46Å; T92-C100 VanDerWaalsContact CG2-CB 3.46Å |
| 93 | K | 85.5 | Confident | 86.4 | Confident | 155 Ų | 155 | 78 Ų | 78 | 67% | 0.674 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.2 | 55.8 | -171.6 | -65.8 | 176.7 | -178.3 | 177.5 | 0 | 110.8 | Y89 G95 T96 | Y89-K93 CarbonylContact O-C 3.56Å; Y89-K93 VanDerWaalsContact O-CA 3.24Å; Y89-K93 WeakPolarHBondContact O-CA 3.41Å; Y89-K93 PolarHBondContact O-N 3.17Å; K93-G95 VanDerWaalsContact C-N 3.32Å; K93-G95 PolarHBondContact O-N 3.46Å; K93-T96 VanDerWaalsContact CB-OG1 3.26Å; K93-T96 WeakPolarHBondContact CB-OG1 3.36Å; K93-T96 WeakPolarHBondContact O-CG2 3.48Å; K93-T96 PolarHBondContact O-N 2.89Å; K93-T96 PolarHBondContact O-OG1 3.3Å |
| 94 | G | 80.7 | Confident | 86.6 | Confident | 28 Ų | 28 | 78 Ų | 78 | 29% | 0.289 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66 | 27.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y89 T92 | Y89-G94 VanDerWaalsContact CD2-CA 3.48Å; Y89-G94 PolarHBondContact O-N 3.06Å; T92-G94 VanDerWaalsContact C-N 3.34Å; T92-G94 PolarHBondContact O-N 2.68Å |
| 95 | G | 82.2 | Confident | 86.8 | Confident | 17 Ų | 17 | 77.7 Ų | 77.7 | 18% | 0.175 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83 | 17.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | T92 K93 T97 C100 T103 | T92-G95 PolarHBondContact O-N 2.91Å; T92-G95 VanDerWaalsContact O-N 3.17Å; T92-G95 PolarHBondContact OG1-N 2.96Å; K93-G95 VanDerWaalsContact C-N 3.32Å; K93-G95 PolarHBondContact O-N 3.46Å; G95-T97 PolarHBondContact O-N 3.19Å; G95-C100 WeakPolarHBondContact CA-SG 3.49Å; G95-T103 WeakPolarHBondContact O-CG2 3.46Å |
| 96 | T | 82.4 | Confident | 86.9 | Confident | 109 Ų | 109 | 82.1 Ų | 82.1 | 67% | 0.669 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -15.7 | 171.3 | 52 | 0 | 0 | 0 | 0 | 112.8 | T92 K93 | T92-T96 PolarHBondContact O-N 2.98Å; T92-T96 VanDerWaalsContact O-N 3.11Å; T92-T96 PolarHBondContact O-OG1 3.21Å; K93-T96 VanDerWaalsContact CB-OG1 3.26Å; K93-T96 WeakPolarHBondContact CB-OG1 3.36Å; K93-T96 WeakPolarHBondContact O-CG2 3.48Å; K93-T96 PolarHBondContact O-N 2.89Å; K93-T96 PolarHBondContact O-OG1 3.3Å |
| 97 | T | 81.4 | Confident | 87 | Confident | 75 Ų | 75 | 82.3 Ų | 82.3 | 46% | 0.46 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -127.9 | 114.3 | -177.2 | 49.4 | 0 | 0 | 0 | 0 | 111.2 | T92 G95 | T92-T97 WeakPolarHBondContact CA-OG1 3.45Å; T92-T97 PolarHBondContact O-N 3.23Å; T92-T97 PolarHBondContact O-OG1 3.39Å; G95-T97 PolarHBondContact O-N 3.19Å |
| 98 | G | 82.8 | Confident | 87.2 | Confident | 65 Ų | 65 | 84.4 Ų | 84.4 | 67% | 0.67 | 52% | 0.517 | S | S | * | . | S | Bend | trans | 72.9 | 179.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 99 | A | 86.4 | Confident | 87.5 | Confident | 106 Ų | 106 | 86 Ų | 86 | 88% | 0.876 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -79 | 122.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 100 | C | 87.6 | Confident | 87.8 | Confident | 11 Ų | 11 | 91.9 Ų | 91.9 | 7% | 0.074 | 56% | 0.557 | C | S | . | * | trans | -138.8 | 174.3 | 177.1 | 72.7 | 0 | 0 | 0 | 0 | 111.4 | E88 T92 G95 F102 T103 A104 | E88-C100 HydrophobicContact CG-CB 4.31Å; E88-C100 WeakPolarHBondContact OE1-CA 3.21Å; E88-C100 VanDerWaalsContact OE1-CB 3.31Å; E88-C100 WeakPolarHBondContact OE1-CB 3.46Å; T92-C100 HydrophobicContact CG2-CB 3.46Å; T92-C100 VanDerWaalsContact CG2-CB 3.46Å; G95-C100 WeakPolarHBondContact CA-SG 3.49Å; C100-F102 PolarHBondContact O-N 3.21Å; C100-T103 PolarHBondContact N-OG1 3.47Å; C100-T103 PolarHBondContact O-N 2.85Å; C100-T103 PolarHBondContact O-OG1 3.38Å; C100-A104 PolarHBondContact O-N 3.07Å | ||
| 101 | Y | 89.2 | Confident | 88.1 | Confident | 120 Ų | 120 | 91.2 Ų | 91.2 | 47% | 0.471 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -50.6 | -40.2 | 177.9 | -175.5 | -92.9 | 0 | 0 | 0 | 112.9 | F81 L85 E88 T103 A104 | F81-Y101 HydrophobicContact CE2-CE2 4.37Å; F81-Y101 HydrophobicContact CZ-CE1 4.17Å; F81-Y101 AromaticContact CZ-CE2 3.89Å; F81-Y101 HydrophobicContact CZ-CE2 3.89Å; F81-Y101 AromaticContact CZ-CZ 3.57Å; F81-Y101 WeakPolarHBondContact CZ-OH 3.28Å; L85-Y101 HydrophobicContact CD2-CD1 3.23Å; L85-Y101 HydrophobicContact CD2-CE1 3.33Å; L85-Y101 HydrophobicContact CD2-CG 3.89Å; E88-Y101 WeakPolarHBondContact OE1-CB 3.43Å; E88-Y101 PolarHBondContact OE1-N 3.49Å; E88-Y101 WeakPolarHBondContact OE2-CB 3.06Å; Y101-T103 PolarHBondContact O-N 3.25Å; Y101-A104 PolarHBondContact O-N 3.17Å |
| 102 | F | 87 | Confident | 88.3 | Confident | 73 Ų | 73 | 92.8 Ų | 92.8 | 32% | 0.32 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.5 | -32.5 | 178.8 | -57.9 | -76.1 | 0 | 0 | 0 | 113.3 | L85 E88 Y89 C100 | L85-F102 HydrophobicContact CB-CZ 4.41Å; L85-F102 HydrophobicContact CD2-CZ 4.37Å; L85-F102 WeakPolarHBondContact O-CZ 3.33Å; E88-F102 HydrophobicContact CB-CE2 4.26Å; E88-F102 HydrophobicContact CG-CE2 4.18Å; Y89-F102 HydrophobicContact CD2-CD2 4.44Å; Y89-F102 HydrophobicContact CD2-CE1 4.16Å; Y89-F102 HydrophobicContact CD2-CE2 4.03Å; Y89-F102 AromaticContact CD2-CZ 3.88Å; Y89-F102 HydrophobicContact CD2-CZ 3.88Å; Y89-F102 HydrophobicContact CG-CE2 4.38Å; Y89-F102 HydrophobicContact CG-CZ 4.29Å; C100-F102 PolarHBondContact O-N 3.21Å |
| 103 | T | 88.3 | Confident | 88.5 | Confident | 72 Ų | 72 | 103.6 Ų | 103.6 | 44% | 0.442 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -82.9 | -18.7 | 177.2 | 62.1 | 0 | 0 | 0 | 0 | 113.4 | G95 C100 Y101 A105 | G95-T103 WeakPolarHBondContact O-CG2 3.46Å; C100-T103 PolarHBondContact N-OG1 3.47Å; C100-T103 PolarHBondContact O-N 2.85Å; C100-T103 PolarHBondContact O-OG1 3.38Å; Y101-T103 PolarHBondContact O-N 3.25Å; T103-A105 PolarHBondContact O-N 2.95Å |
| 104 | A | 90.1 | Very high | 88.9 | Confident | 77 Ų | 77 | 106.2 Ų | 106.2 | 64% | 0.636 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -75.2 | -15.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | C100 Y101 V106 | C100-A104 PolarHBondContact O-N 3.07Å; Y101-A104 PolarHBondContact O-N 3.17Å; A104-V106 PolarHBondContact O-N 3.42Å |
| 105 | A | 89.4 | Confident | 89.5 | Confident | 73 Ų | 73 | 110.6 Ų | 110.6 | 60% | 0.603 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -66.7 | 124 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | T103 | T103-A105 PolarHBondContact O-N 2.95Š|
| 106 | V | 92 | Very high | 90.1 | Very high | 131 Ų | 131 | 115.3 Ų | 115.3 | 79% | 0.794 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 136 | 176.3 | 179.3 | 0 | 0 | 0 | 0 | 109.6 | A104 | A104-V106 PolarHBondContact O-N 3.42Š|
| 107 | P | 91.3 | Very high | 90.7 | Very high | 102 Ų | 102 | 110.3 Ų | 110.3 | 66% | 0.662 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 158.9 | 175.9 | 25.8 | -35.4 | 0 | 0 | 0 | 112 | S109 | P107-S109 PolarHBondContact O-N 3.05Š|
| 108 | P | 92.7 | Very high | 91.2 | Very high | 123 Ų | 123 | 110.3 Ų | 110.3 | 80% | 0.799 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 142.1 | 177.5 | 25.5 | -34.5 | 0 | 0 | 0 | 111.2 | R110 | P108-R110 PolarHBondContact O-N 2.81Š|
| 109 | S | 95.1 | Very high | 91.7 | Very high | 94 Ų | 94 | 108.9 Ų | 108.9 | 66% | 0.657 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 138.6 | 177.2 | 178.1 | 0 | 0 | 0 | 0 | 111.3 | P107 L111 | P107-S109 PolarHBondContact O-N 3.05Å; S109-L111 VanDerWaalsContact C-N 3.28Å; S109-L111 PolarHBondContact OG-N 2.92Å; S109-L111 VanDerWaalsContact OG-N 3.09Å; S109-L111 PolarHBondContact OG-O 3.02Å |
| 110 | R | 95.6 | Very high | 92 | Very high | 253 Ų | 253 | 106.5 Ų | 106.5 | 96% | 0.955 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -77.8 | -15.2 | 171.7 | -60.4 | -178.4 | -175.9 | 179 | 0.9 | 112.9 | P108 | P108-R110 PolarHBondContact O-N 2.81Š|
| 111 | L | 94.9 | Very high | 92.4 | Very high | 133 Ų | 133 | 108.2 Ų | 108.2 | 70% | 0.696 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -95.3 | 145.3 | -177 | -61.9 | 175.9 | 0 | 0 | 0 | 111 | S109 | S109-L111 VanDerWaalsContact C-N 3.28Å; S109-L111 PolarHBondContact OG-N 2.92Å; S109-L111 VanDerWaalsContact OG-N 3.09Å; S109-L111 PolarHBondContact OG-O 3.02Å |
| 112 | P | 92.9 | Very high | 92.7 | Very high | 115 Ų | 115 | 109.6 Ų | 109.6 | 75% | 0.747 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 145.2 | 177.9 | 27.2 | -34.7 | 0 | 0 | 0 | 111.4 | R114 | P112-R114 PolarHBondContact O-N 2.78Š|
| 113 | R | 91.1 | Very high | 93.1 | Very high | 243 Ų | 243 | 113 Ų | 113 | 92% | 0.917 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 128.6 | 178.7 | -63.1 | 178.6 | -178.6 | -111.7 | 1.8 | 110.2 | ||
| 114 | R | 93.1 | Very high | 93.4 | Very high | 211 Ų | 211 | 110 Ų | 110 | 80% | 0.796 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 144 | 171.2 | -64.3 | -175 | -179.4 | -170.9 | 0 | 110.1 | P112 F116 | P112-R114 PolarHBondContact O-N 2.78Å; R114-F116 HydrophobicContact CB-CE2 3.8Å; R114-F116 HydrophobicContact CB-CZ 3.94Å |
| 115 | K | 93.7 | Very high | 93.6 | Very high | 120 Ų | 120 | 111.6 Ų | 111.6 | 52% | 0.522 | 58% | 0.579 | S | S | . | * | trans | -104 | 125.9 | 176.8 | -62.6 | 176.7 | -179.7 | 170.4 | 0 | 109 | G124 P134 | K115-G124 PolarHBondContact O-N 2.84Å; K115-P134 HydrophobicContact CB-CB 4.16Å; K115-P134 HydrophobicContact CB-CG 4.47Å | ||
| 116 | F | 95.7 | Very high | 93.8 | Very high | 115 Ų | 115 | 114.2 Ų | 114.2 | 50% | 0.504 | 57% | 0.574 | S | S | . | * | B | Isolated β-bridge | trans | -119.2 | 143.3 | 177.6 | -63.8 | -72.2 | 0 | 0 | 0 | 110.1 | R114 N118 G121 F122 P134 | R114-F116 HydrophobicContact CB-CE2 3.8Å; R114-F116 HydrophobicContact CB-CZ 3.94Å; F116-N118 PolarHBondContact O-N 3.11Å; F116-G121 VanDerWaalsContact CD1-O 3.32Å; F116-G121 WeakPolarHBondContact CD1-O 3.35Å; F116-F122 CarbonylContact C-O 3.39Å; F116-F122 WeakPolarHBondContact CA-O 3.32Å; F116-P134 WeakPolarHBondContact O-CG 3.47Å |
| 117 | C | 95 | Very high | 93.8 | Very high | 4 Ų | 4 | 111.4 Ų | 111.4 | 3% | 0.027 | 56% | 0.555 | C | S | . | * | trans | -63.7 | 126 | 178.3 | 177.2 | 0 | 0 | 0 | 0 | 110.4 | V119 C120 G121 F122 P134 Y135 C136 | C117-V119 PolarHBondContact O-N 2.77Å; C117-V119 VanDerWaalsContact O-N 3.1Å; C117-V119 PolarHBondContact SG-N 2.85Å; C117-V119 VanDerWaalsContact SG-N 3.41Å; C117-C120 PolarHBondContact SG-SG 3.33Å; C117-G121 WeakPolarHBondContact O-CA 3.49Å; C117-G121 PolarHBondContact O-N 3.26Å; C117-F122 WeakPolarHBondContact CB-O 3.31Å; C117-F122 PolarHBondContact N-O 3.34Å; C117-P134 WeakPolarHBondContact CA-O 3.14Å; C117-Y135 VanDerWaalsContact SG-CA 3.58Å; C117-C136 HydrophobicContact CB-CB 3.93Å; C117-C136 PolarHBondContact SG-N 2.88Å | ||
| 118 | N | 90.8 | Very high | 93.7 | Very high | 75 Ų | 75 | 106.8 Ų | 106.8 | 40% | 0.401 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -8.3 | 179.8 | -165.4 | 39.6 | 0 | 0 | 0 | 114.4 | F116 P134 | F116-N118 PolarHBondContact O-N 3.11Å; N118-P134 PolarHBondContact N-O 3.3Å |
| 119 | V | 92.9 | Very high | 93.4 | Very high | 35 Ų | 35 | 105.2 Ų | 105.2 | 21% | 0.212 | 51% | 0.509 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -43.3 | -178.8 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | C117 C140 I143 H144 | C117-V119 PolarHBondContact O-N 2.77Å; C117-V119 VanDerWaalsContact O-N 3.1Å; C117-V119 PolarHBondContact SG-N 2.85Å; C117-V119 VanDerWaalsContact SG-N 3.41Å; V119-C140 HydrophobicContact CB-CB 4.03Å; V119-C140 HydrophobicContact CG1-CB 4.41Å; V119-C140 HydrophobicContact CG2-CB 4.16Å; V119-C140 WeakPolarHBondContact CG2-O 3.38Å; V119-I143 HydrophobicContact CG1-CB 4.17Å; V119-I143 HydrophobicContact CG1-CD1 4.08Å; V119-I143 HydrophobicContact CG1-CG2 3.79Å; V119-I143 HydrophobicContact CG2-CG2 4.33Å; V119-H144 HydrophobicContact CG2-CB 4.1Å |
| 120 | C | 94.7 | Very high | 92.9 | Very high | 56 Ų | 56 | 101.1 Ų | 101.1 | 38% | 0.378 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.2 | -3.2 | -171.3 | 61.1 | 0 | 0 | 0 | 0 | 114.8 | C117 F122 C136 C140 | C117-C120 PolarHBondContact SG-SG 3.33Å; C120-F122 VanDerWaalsContact C-N 3.27Å; C120-F122 HydrophobicContact CB-CD2 4Å; C120-F122 PolarHBondContact O-N 3.25Å; C120-C136 PolarHBondContact SG-SG 3.25Å; C120-C140 VanDerWaalsContact SG-SG 3.69Å |
| 121 | G | 94.3 | Very high | 92.4 | Very high | 47 Ų | 47 | 90.6 Ų | 90.6 | 49% | 0.485 | 45% | 0.445 | S | S | . | . | trans | 78.7 | -8.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | F116 C117 | F116-G121 VanDerWaalsContact CD1-O 3.32Å; F116-G121 WeakPolarHBondContact CD1-O 3.35Å; C117-G121 WeakPolarHBondContact O-CA 3.49Å; C117-G121 PolarHBondContact O-N 3.26Å | ||
| 122 | F | 95.7 | Very high | 92 | Very high | 150 Ų | 150 | 85.8 Ų | 85.8 | 66% | 0.658 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -66 | 172.4 | 174.5 | -73.9 | -82 | 0 | 0 | 0 | 112.9 | F116 C117 C120 G124 C136 | F116-F122 CarbonylContact C-O 3.39Å; F116-F122 WeakPolarHBondContact CA-O 3.32Å; C117-F122 WeakPolarHBondContact CB-O 3.31Å; C117-F122 PolarHBondContact N-O 3.34Å; C120-F122 VanDerWaalsContact C-N 3.27Å; C120-F122 HydrophobicContact CB-CD2 4Å; C120-F122 PolarHBondContact O-N 3.25Å; F122-G124 PolarHBondContact O-N 3.22Å; F122-C136 HydrophobicContact CB-CB 4.35Å |
| 123 | Q | 95.7 | Very high | 91.8 | Very high | 144 Ų | 144 | 82.8 Ų | 82.8 | 67% | 0.673 | 40% | 0.404 | S | S | * | . | B | Isolated β-bridge | trans | -56.5 | 124.7 | 178.8 | -171.6 | 171.1 | 6.1 | 0 | 0 | 111.9 | L125 C136 | Q123-L125 HydrophobicContact CG-CD2 4.3Å; Q123-L125 PolarHBondContact O-N 3.32Å; Q123-C136 VanDerWaalsContact O-CB 3.27Å; Q123-C136 WeakPolarHBondContact O-CB 3.37Å |
| 124 | G | 94.7 | Very high | 91.9 | Very high | 9 Ų | 9 | 72.4 Ų | 72.4 | 9% | 0.093 | 37% | 0.369 | C | S | . | . | trans | -81.2 | 97.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111 | K115 F122 | K115-G124 PolarHBondContact O-N 2.84Å; F122-G124 PolarHBondContact O-N 3.22Å | ||
| 125 | L | 94.6 | Very high | 92 | Very high | 111 Ų | 111 | 64.3 Ų | 64.3 | 58% | 0.581 | 34% | 0.338 | S | S | * | . | trans | -79.8 | -29.1 | -178.2 | -61.8 | 177.3 | 0 | 0 | 0 | 112.7 | Q123 Y135 | Q123-L125 HydrophobicContact CG-CD2 4.3Å; Q123-L125 PolarHBondContact O-N 3.32Å; L125-Y135 PolarHBondContact N-O 2.93Å; L125-Y135 VanDerWaalsContact N-O 3.11Å | ||
| 126 | Y | 94.1 | Very high | 92.1 | Very high | 127 Ų | 127 | 59.8 Ų | 59.8 | 50% | 0.498 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 158.1 | -173.9 | -51.3 | -76.1 | 0 | 0 | 0 | 111 | P134 Y135 | Y126-P134 CarbonylContact O-C 3.48Å; Y126-P134 WeakPolarHBondContact O-CA 3.48Å; Y126-Y135 HydrophobicContact CD2-CD2 4.11Å; Y126-Y135 AromaticContact CD2-CE2 3.73Å; Y126-Y135 HydrophobicContact CD2-CE2 3.73Å; Y126-Y135 HydrophobicContact CG-CD2 4.46Å; Y126-Y135 AromaticContact CG-CE2 3.83Å; Y126-Y135 HydrophobicContact CG-CE2 3.83Å; Y126-Y135 PolarHBondContact N-O 3.34Å; Y126-Y135 PolarHBondContact O-N 3.05Å |
| 127 | N | 91.2 | Very high | 92.1 | Very high | 73 Ų | 73 | 56.3 Ų | 56.3 | 39% | 0.39 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 141.5 | 177.6 | -68.1 | -20.9 | 0 | 0 | 0 | 110.5 | ||
| 128 | C | 89.8 | Confident | 92.1 | Very high | 4 Ų | 4 | 65.3 Ų | 65.3 | 3% | 0.027 | 35% | 0.345 | C | S | . | . | trans | -68.4 | 130.4 | 171.9 | -179.3 | 0 | 0 | 0 | 0 | 110.7 | V130 G132 L133 H144 | C128-V130 PolarHBondContact O-N 3.34Å; C128-G132 WeakPolarHBondContact O-CA 3.34Å; C128-G132 PolarHBondContact O-N 3.23Å; C128-L133 PolarHBondContact N-O 3.19Å; C128-H144 VanDerWaalsContact CB-NE2 3.32Å; C128-H144 WeakPolarHBondContact CB-NE2 3.48Å; C128-H144 PolarHBondContact SG-NE2 2.83Å | ||
| 129 | I | 85.8 | Confident | 92.3 | Very high | 90 Ų | 90 | 69.5 Ų | 69.5 | 46% | 0.462 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -27.2 | 180 | 62.3 | 178.3 | 0 | 0 | 0 | 113.3 | P14 | P14-I129 HydrophobicContact CG-CD1 4.43Š|
| 130 | V | 84.7 | Confident | 92.4 | Very high | 9 Ų | 9 | 68.3 Ų | 68.3 | 6% | 0.055 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -56.7 | -175.8 | -174.4 | 0 | 0 | 0 | 0 | 110.6 | R12 L15 C128 M150 | R12-V130 HydrophobicContact CB-CG2 4.47Å; L15-V130 WeakPolarHBondContact CD1-O 3.47Å; C128-V130 PolarHBondContact O-N 3.34Å; V130-M150 HydrophobicContact CG1-CG 3.55Å; V130-M150 HydrophobicContact CG1-SD 4.15Å |
| 131 | C | 84 | Confident | 92.4 | Very high | 32 Ų | 32 | 68 Ų | 68 | 22% | 0.216 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | -6.8 | -173 | 70.3 | 0 | 0 | 0 | 0 | 114.6 | L133 H144 M150 | C131-L133 PolarHBondContact O-N 3.09Å; C131-H144 PolarHBondContact SG-CE1 3.37Å; C131-H144 PolarHBondContact SG-NE2 3.29Å; C131-M150 HydrophobicContact CB-SD 4.17Å |
| 132 | G | 87.1 | Confident | 92.3 | Very high | 31 Ų | 31 | 69.8 Ų | 69.8 | 32% | 0.32 | 34% | 0.34 | S | S | . | . | trans | 76.5 | 0.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | C128 | C128-G132 WeakPolarHBondContact O-CA 3.34Å; C128-G132 PolarHBondContact O-N 3.23Å | ||
| 133 | L | 89.3 | Confident | 92.2 | Very high | 52 Ų | 52 | 66.3 Ų | 66.3 | 27% | 0.272 | 33% | 0.327 | S | S | . | . | trans | -71.5 | 136 | -176.9 | -74.9 | 170.5 | 0 | 0 | 0 | 111.8 | C128 C131 | C128-L133 PolarHBondContact N-O 3.19Å; C131-L133 PolarHBondContact O-N 3.09Å | ||
| 134 | P | 93.1 | Very high | 92 | Very high | 26 Ų | 26 | 59.5 Ų | 59.5 | 17% | 0.169 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 143.9 | 178 | 24.4 | -33.3 | 0 | 0 | 0 | 114 | K115 F116 C117 N118 Y126 | K115-P134 HydrophobicContact CB-CB 4.16Å; K115-P134 HydrophobicContact CB-CG 4.47Å; F116-P134 WeakPolarHBondContact O-CG 3.47Å; C117-P134 WeakPolarHBondContact CA-O 3.14Å; N118-P134 PolarHBondContact N-O 3.3Å; Y126-P134 CarbonylContact O-C 3.48Å; Y126-P134 WeakPolarHBondContact O-CA 3.48Å |
| 135 | Y | 94.9 | Very high | 91.7 | Very high | 40 Ų | 40 | 60.5 Ų | 60.5 | 16% | 0.157 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 155.7 | 172.1 | 64.8 | -90.9 | 0 | 0 | 0 | 112.2 | C117 L125 Y126 S137 Y141 | C117-Y135 VanDerWaalsContact SG-CA 3.58Å; L125-Y135 PolarHBondContact N-O 2.93Å; L125-Y135 VanDerWaalsContact N-O 3.11Å; Y126-Y135 HydrophobicContact CD2-CD2 4.11Å; Y126-Y135 AromaticContact CD2-CE2 3.73Å; Y126-Y135 HydrophobicContact CD2-CE2 3.73Å; Y126-Y135 HydrophobicContact CG-CD2 4.46Å; Y126-Y135 AromaticContact CG-CE2 3.83Å; Y126-Y135 HydrophobicContact CG-CE2 3.83Å; Y126-Y135 PolarHBondContact N-O 3.34Å; Y126-Y135 PolarHBondContact O-N 3.05Å; Y135-S137 WeakPolarHBondContact CD2-O 3.39Å; Y135-Y141 HydrophobicContact CD1-CD2 4.15Å; Y135-Y141 AromaticContact CE1-CD2 3.66Å; Y135-Y141 HydrophobicContact CE1-CD2 3.66Å; Y135-Y141 HydrophobicContact CE1-CE2 4.43Å; Y135-Y141 HydrophobicContact CE1-CG 4.41Å; Y135-Y141 HydrophobicContact CE2-CD2 4.35Å; Y135-Y141 HydrophobicContact CE2-CG 4.32Å; Y135-Y141 AromaticContact CZ-CD2 3.78Å |
| 136 | C | 96.4 | Very high | 91.4 | Very high | 26 Ų | 26 | 60.3 Ų | 60.3 | 18% | 0.176 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -95 | -30.8 | -176.1 | 65.8 | 0 | 0 | 0 | 0 | 114 | C117 C120 F122 Q123 | C117-C136 HydrophobicContact CB-CB 3.93Å; C117-C136 PolarHBondContact SG-N 2.88Å; C120-C136 PolarHBondContact SG-SG 3.25Å; F122-C136 HydrophobicContact CB-CB 4.35Å; Q123-C136 VanDerWaalsContact O-CB 3.27Å; Q123-C136 WeakPolarHBondContact O-CB 3.37Å |
| 137 | S | 95.5 | Very high | 91 | Very high | 42 Ų | 42 | 57.3 Ų | 57.3 | 29% | 0.294 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -148.9 | 164.5 | -172.2 | 67.9 | 0 | 0 | 0 | 0 | 111.9 | Y135 K139 C140 Y141 | Y135-S137 WeakPolarHBondContact CD2-O 3.39Å; S137-K139 VanDerWaalsContact C-N 3.29Å; S137-K139 PolarHBondContact O-N 3.33Å; S137-C140 WeakPolarHBondContact O-CB 3.45Å; S137-C140 PolarHBondContact O-N 3.31Å; S137-C140 VanDerWaalsContact O-N 3.07Å; S137-C140 PolarHBondContact OG-N 3.03Å; S137-Y141 PolarHBondContact O-N 3.12Å |
| 138 | R | 94.4 | Very high | 90.5 | Very high | 192 Ų | 192 | 57.7 Ų | 57.7 | 73% | 0.725 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -56.5 | -39.5 | 175.8 | -176.9 | 179.8 | 168.5 | 176.1 | 3.8 | 113.1 | C140 Y141 E142 | R138-C140 VanDerWaalsContact C-N 3.29Å; R138-C140 PolarHBondContact O-N 2.8Å; R138-Y141 WeakPolarHBondContact O-CA 3.09Å; R138-Y141 WeakPolarHBondContact O-CB 3.32Å; R138-Y141 PolarHBondContact O-N 3.34Å; R138-E142 IonicContact CZ-OE1 3.02Å; R138-E142 IonicContact NE-OE1 3.93Å; R138-E142 PolarHBondContact NE-OE1 3.4Å; R138-E142 IonicContact NH2-OE1 2.8Å; R138-E142 PolarHBondContact O-N 3.11Å |
| 139 | K | 95.3 | Very high | 90.2 | Very high | 163 Ų | 163 | 58.5 Ų | 58.5 | 71% | 0.709 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -58.2 | -43.7 | 175.5 | -67.2 | -179.1 | 179.3 | -178.6 | 0 | 111.3 | S137 Y141 E142 I143 | S137-K139 VanDerWaalsContact C-N 3.29Å; S137-K139 PolarHBondContact O-N 3.33Å; K139-Y141 VanDerWaalsContact C-N 3.34Å; K139-E142 PolarHBondContact O-N 2.98Å; K139-I143 WeakPolarHBondContact O-CG1 3.43Å; K139-I143 PolarHBondContact O-N 3.02Å |
| 140 | C | 95.6 | Very high | 89.6 | Confident | 11 Ų | 11 | 58.3 Ų | 58.3 | 7% | 0.074 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -69.2 | -32.3 | 175.8 | -67.8 | 0 | 0 | 0 | 0 | 112.3 | V119 C120 S137 R138 H144 | V119-C140 HydrophobicContact CB-CB 4.03Å; V119-C140 HydrophobicContact CG1-CB 4.41Å; V119-C140 HydrophobicContact CG2-CB 4.16Å; V119-C140 WeakPolarHBondContact CG2-O 3.38Å; C120-C140 VanDerWaalsContact SG-SG 3.69Å; S137-C140 WeakPolarHBondContact O-CB 3.45Å; S137-C140 PolarHBondContact O-N 3.31Å; S137-C140 VanDerWaalsContact O-N 3.07Å; S137-C140 PolarHBondContact OG-N 3.03Å; R138-C140 VanDerWaalsContact C-N 3.29Å; R138-C140 PolarHBondContact O-N 2.8Å; C140-H144 WeakPolarHBondContact O-CB 3.45Å; C140-H144 PolarHBondContact O-N 3.45Å |
| 141 | Y | 93.3 | Very high | 88.9 | Confident | 49 Ų | 49 | 64.1 Ų | 64.1 | 19% | 0.192 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 173.1 | 175.3 | -105.4 | 0 | 0 | 0 | 112.3 | Y135 S137 R138 K139 H144 S145 | Y135-Y141 HydrophobicContact CD1-CD2 4.15Å; Y135-Y141 AromaticContact CE1-CD2 3.66Å; Y135-Y141 HydrophobicContact CE1-CD2 3.66Å; Y135-Y141 HydrophobicContact CE1-CE2 4.43Å; Y135-Y141 HydrophobicContact CE1-CG 4.41Å; Y135-Y141 HydrophobicContact CE2-CD2 4.35Å; Y135-Y141 HydrophobicContact CE2-CG 4.32Å; Y135-Y141 AromaticContact CZ-CD2 3.78Å; S137-Y141 PolarHBondContact O-N 3.12Å; R138-Y141 WeakPolarHBondContact O-CA 3.09Å; R138-Y141 WeakPolarHBondContact O-CB 3.32Å; R138-Y141 PolarHBondContact O-N 3.34Å; K139-Y141 VanDerWaalsContact C-N 3.34Å; Y141-H144 CarbonylContact O-C 3.59Å; Y141-H144 WeakPolarHBondContact O-CB 3.38Å; Y141-H144 PolarHBondContact O-N 3.2Å; Y141-S145 WeakPolarHBondContact O-CB 3.44Å; Y141-S145 PolarHBondContact O-N 3.17Å; Y141-S145 PolarHBondContact O-OG 3.25Å |
| 142 | E | 93 | Very high | 87.8 | Confident | 84 Ų | 84 | 72 Ų | 72 | 39% | 0.393 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.8 | -50 | 178.4 | -71.2 | 168 | -171.4 | 0 | 0 | 111 | R138 K139 H144 S145 D146 | R138-E142 IonicContact CZ-OE1 3.02Å; R138-E142 IonicContact NE-OE1 3.93Å; R138-E142 PolarHBondContact NE-OE1 3.4Å; R138-E142 IonicContact NH2-OE1 2.8Å; R138-E142 PolarHBondContact O-N 3.11Å; K139-E142 PolarHBondContact O-N 2.98Å; E142-H144 VanDerWaalsContact C-N 3.29Å; E142-H144 PolarHBondContact O-N 2.63Å; E142-S145 WeakPolarHBondContact CA-OG 3.49Å; E142-S145 PolarHBondContact O-N 3.26Å; E142-S145 VanDerWaalsContact O-N 3.11Å; E142-S145 PolarHBondContact O-OG 3.46Å; E142-D146 PolarHBondContact O-N 2.97Å |
| 143 | I | 93 | Very high | 86.2 | Confident | 77 Ų | 77 | 75.6 Ų | 75.6 | 40% | 0.395 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.1 | -44.4 | 174.6 | -63.9 | 165.5 | 0 | 0 | 0 | 110.8 | V119 K139 D146 T147 | V119-I143 HydrophobicContact CG1-CB 4.17Å; V119-I143 HydrophobicContact CG1-CD1 4.08Å; V119-I143 HydrophobicContact CG1-CG2 3.79Å; V119-I143 HydrophobicContact CG2-CG2 4.33Å; K139-I143 WeakPolarHBondContact O-CG1 3.43Å; K139-I143 PolarHBondContact O-N 3.02Å; I143-D146 PolarHBondContact O-N 3.24Å; I143-T147 PolarHBondContact O-N 3.09Å; I143-T147 PolarHBondContact O-OG1 3.08Å |
| 144 | H | 92.1 | Very high | 84.2 | Confident | 2 Ų | 2 | 81 Ų | 81 | 1% | 0.009 | 41% | 0.413 | C | S | . | . | I | π-helix | trans | -59.2 | -48.1 | 176 | 167.5 | 66.6 | 0 | 0 | 0 | 110.9 | V119 C128 C131 C140 Y141 E142 D146 R148 C149 | V119-H144 HydrophobicContact CG2-CB 4.1Å; C128-H144 VanDerWaalsContact CB-NE2 3.32Å; C128-H144 WeakPolarHBondContact CB-NE2 3.48Å; C128-H144 PolarHBondContact SG-NE2 2.83Å; C131-H144 PolarHBondContact SG-CE1 3.37Å; C131-H144 PolarHBondContact SG-NE2 3.29Å; C140-H144 WeakPolarHBondContact O-CB 3.45Å; C140-H144 PolarHBondContact O-N 3.45Å; Y141-H144 CarbonylContact O-C 3.59Å; Y141-H144 WeakPolarHBondContact O-CB 3.38Å; Y141-H144 PolarHBondContact O-N 3.2Å; E142-H144 VanDerWaalsContact C-N 3.29Å; E142-H144 PolarHBondContact O-N 2.63Å; H144-D146 VanDerWaalsContact C-N 3.28Å; H144-D146 PolarHBondContact O-N 3.33Å; H144-R148 CarbonylContact O-C 3.44Å; H144-R148 WeakPolarHBondContact O-CA 3.42Å; H144-R148 PolarHBondContact O-N 3.14Å; H144-C149 WeakPolarHBondContact NE2-CB 3.43Å; H144-C149 WeakPolarHBondContact O-CB 3.35Å; H144-C149 PolarHBondContact O-N 2.89Å |
| 145 | S | 89.2 | Confident | 83.7 | Confident | 29 Ų | 29 | 83.8 Ų | 83.8 | 20% | 0.203 | 43% | 0.425 | C | S | . | . | I | π-helix | trans | -62.7 | -33.7 | -179 | 63.7 | 0 | 0 | 0 | 0 | 113.4 | Y141 E142 | Y141-S145 WeakPolarHBondContact O-CB 3.44Å; Y141-S145 PolarHBondContact O-N 3.17Å; Y141-S145 PolarHBondContact O-OG 3.25Å; E142-S145 WeakPolarHBondContact CA-OG 3.49Å; E142-S145 PolarHBondContact O-N 3.26Å; E142-S145 VanDerWaalsContact O-N 3.11Å; E142-S145 PolarHBondContact O-OG 3.46Å |
| 146 | D | 87.7 | Confident | 83.1 | Confident | 108 Ų | 108 | 86.1 Ų | 86.1 | 58% | 0.578 | 44% | 0.439 | S | S | * | . | I | π-helix | trans | -80.8 | -43.3 | -177 | -70.4 | -18.5 | 0 | 0 | 0 | 112.4 | E142 I143 H144 | E142-D146 PolarHBondContact O-N 2.97Å; I143-D146 PolarHBondContact O-N 3.24Å; H144-D146 VanDerWaalsContact C-N 3.28Å; H144-D146 PolarHBondContact O-N 3.33Å |
| 147 | T | 86.2 | Confident | 82.4 | Confident | 64 Ų | 64 | 89.4 Ų | 89.4 | 39% | 0.393 | 45% | 0.454 | S | S | . | . | I | π-helix | trans | -109.4 | -30.4 | -167.6 | 60 | 0 | 0 | 0 | 0 | 114.8 | I143 | I143-T147 PolarHBondContact O-N 3.09Å; I143-T147 PolarHBondContact O-OG1 3.08Å |
| 148 | R | 81.2 | Confident | 81.6 | Confident | 81 Ų | 81 | 92.2 Ų | 92.2 | 31% | 0.306 | 46% | 0.463 | S | S | . | . | I | π-helix | trans | -123.1 | -19 | -166.7 | -65.4 | -178.7 | 178.1 | 95.3 | -12.6 | 114.9 | H144 M150 K151 | H144-R148 CarbonylContact O-C 3.44Å; H144-R148 WeakPolarHBondContact O-CA 3.42Å; H144-R148 PolarHBondContact O-N 3.14Å; R148-M150 PolarHBondContact O-N 3.37Å; R148-K151 CarbonylContact C-O 3.56Å; R148-K151 WeakPolarHBondContact CA-O 3.35Å |
| 149 | C | 82.1 | Confident | 80.8 | Confident | 20 Ų | 20 | 86 Ų | 86 | 14% | 0.135 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -73.2 | 115.4 | -177.7 | -172.7 | 0 | 0 | 0 | 0 | 108.5 | H144 K151 | H144-C149 WeakPolarHBondContact NE2-CB 3.43Å; H144-C149 WeakPolarHBondContact O-CB 3.35Å; H144-C149 PolarHBondContact O-N 2.89Å; C149-K151 PolarHBondContact O-N 2.86Å |
| 150 | M | 74.9 | Confident | 79.9 | Confident | 86 Ų | 86 | 80.9 Ų | 80.9 | 42% | 0.424 | 43% | 0.429 | S | S | . | . | S | Bend | trans | 62 | 3.4 | -177.3 | -67.6 | -58.7 | -40.1 | 0 | 0 | 115.8 | L15 R23 V130 C131 R148 | L15-M150 HydrophobicContact CD1-SD 4.3Å; R23-M150 PolarHBondContact NH1-SD 3.2Å; V130-M150 HydrophobicContact CG1-CG 3.55Å; V130-M150 HydrophobicContact CG1-SD 4.15Å; C131-M150 HydrophobicContact CB-SD 4.17Å; R148-M150 PolarHBondContact O-N 3.37Å |
| 151 | K | 69.4 | Low | 78.7 | Confident | 132 Ų | 132 | 85.9 Ų | 85.9 | 57% | 0.574 | 46% | 0.455 | S | S | * | . | trans | -123 | 122.9 | 179 | -64.9 | 175.9 | -171.6 | 168.9 | 0 | 107.8 | R148 C149 | R148-K151 CarbonylContact C-O 3.56Å; R148-K151 WeakPolarHBondContact CA-O 3.35Å; C149-K151 PolarHBondContact O-N 2.86Å | ||
| 152 | W | 59.8 | Low | 77.6 | Confident | 197 Ų | 197 | 88.7 Ų | 88.7 | 75% | 0.746 | 48% | 0.475 | S | S | * | . | trans | -87.5 | 113.8 | 171.5 | -74.3 | 92.8 | 0 | 0 | 0 | 107.7 | T27 | T27-W152 HydrophobicContact CG2-CD2 4.47Å; T27-W152 HydrophobicContact CG2-CH2 4.26Å; T27-W152 HydrophobicContact CG2-CZ2 3.73Å | ||
| 153 | V | 54.6 | Low | 76.4 | Confident | 107 Ų | 107 | 89.1 Ų | 89.1 | 65% | 0.648 | 48% | 0.482 | S | S | * | . | trans | -106.5 | 107.2 | 159.9 | -175.2 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 154 | A | 46.2 | Very low | 74.8 | Confident | 166 Ų | 166 | 90.2 Ų | 90.2 | 100% | 1.372 | 49% | 0.49 | S | S | * | . | trans | -73.8 | 0 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108.4 |
Retrieved 154 of 154 residues in 416.3 ms
(Link to these results)