| 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 | 40.8 | Very low | 60.1 | Low | 243 Ų | 243 | 88.8 Ų | 88.8 | 100% | 1.197 | 45% | 0.454 | S | S | * | . | 0 | 91 | 0 | -71.6 | -179.5 | 169.3 | 0 | 0 | 106.2 | |||||
| 2 | E | 42.3 | Very low | 60.8 | Low | 178 Ų | 178 | 87.6 Ų | 87.6 | 83% | 0.832 | 45% | 0.449 | S | S | * | . | trans | -57.8 | 136.2 | 160.9 | -81 | 170.3 | 154.1 | 0 | 0 | 107.1 | T4 | E2-T4 PolarHBondContact O-N 3.28Š| ||
| 3 | S | 54.9 | Low | 61.2 | Low | 70 Ų | 70 | 90.6 Ų | 90.6 | 49% | 0.49 | 46% | 0.46 | S | S | . | . | trans | -51.2 | 127.9 | 179.2 | 44.7 | 0 | 0 | 0 | 0 | 110 | E5 S6 | S3-E5 PolarHBondContact O-N 3.11Å; S3-S6 PolarHBondContact O-N 3.25Å; S3-S6 PolarHBondContact O-OG 3.42Å; S3-S6 PolarHBondContact OG-OG 3Å | ||
| 4 | T | 56.5 | Low | 61.3 | Low | 49 Ų | 49 | 90.4 Ų | 90.4 | 30% | 0.301 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -52.2 | -26.2 | 175.1 | 49.8 | 0 | 0 | 0 | 0 | 112.8 | E2 S6 E55 | E2-T4 PolarHBondContact O-N 3.28Å; T4-S6 VanDerWaalsContact C-N 3.33Å; T4-S6 PolarHBondContact O-N 2.94Å; T4-E55 HydrophobicContact CG2-CB 4.22Å; T4-E55 HydrophobicContact CG2-CG 4.16Å |
| 5 | E | 56.4 | Low | 61.2 | Low | 139 Ų | 139 | 87.6 Ų | 87.6 | 65% | 0.65 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -65.1 | -27 | 172.3 | -69.2 | -175.7 | 161.4 | 0 | 0 | 114.4 | S3 S9 | S3-E5 PolarHBondContact O-N 3.11Å; E5-S9 VanDerWaalsContact O-CA 3.29Å; E5-S9 WeakPolarHBondContact O-CA 3.44Å; E5-S9 WeakPolarHBondContact O-CB 3.4Å; E5-S9 PolarHBondContact O-N 2.64Å |
| 6 | S | 61.8 | Low | 61 | Low | 55 Ų | 55 | 95.5 Ų | 95.5 | 39% | 0.385 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -80.4 | -39.4 | 179.6 | 61.4 | 0 | 0 | 0 | 0 | 112.3 | S3 T4 S9 | S3-S6 PolarHBondContact O-N 3.25Å; S3-S6 PolarHBondContact O-OG 3.42Å; S3-S6 PolarHBondContact OG-OG 3Å; T4-S6 VanDerWaalsContact C-N 3.33Å; T4-S6 PolarHBondContact O-N 2.94Å; S6-S9 WeakPolarHBondContact O-CB 3.4Å; S6-S9 PolarHBondContact O-N 3.04Å; S6-S9 PolarHBondContact O-OG 2.76Å |
| 7 | R | 67.3 | Low | 60.8 | Low | 118 Ų | 118 | 96.2 Ų | 96.2 | 45% | 0.445 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.8 | -50.7 | 179.6 | -173.7 | -175.8 | -87.7 | -166.2 | -23.9 | 111.2 | H10 E36 E55 | R7-H10 PolarHBondContact O-CE1 2.92Å; R7-H10 VanDerWaalsContact O-CE1 3.27Å; R7-H10 PolarHBondContact O-ND1 3.21Å; R7-H10 VanDerWaalsContact O-ND1 3.12Å; R7-E36 IonicContact CZ-OE1 2.99Å; R7-E36 VanDerWaalsContact CZ-OE1 3.26Å; R7-E36 IonicContact CZ-OE2 2.83Å; R7-E36 VanDerWaalsContact NH1-CD 3.35Å; R7-E36 IonicContact NH1-OE1 3.43Å; R7-E36 PolarHBondContact NH1-OE1 3.4Å; R7-E36 IonicContact NH1-OE2 2.8Å; R7-E36 PolarHBondContact NH1-OE2 2.79Å; R7-E36 IonicContact NH2-OE1 3.26Å; R7-E36 PolarHBondContact NH2-OE1 2.68Å; R7-E36 IonicContact NH2-OE2 3.83Å; R7-E55 IonicContact NH1-OE1 3.33Å; R7-E55 PolarHBondContact NH1-OE1 2.98Å |
| 8 | Y | 71.4 | Confident | 60.5 | Low | 8 Ų | 8 | 95.5 Ų | 95.5 | 3% | 0.031 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | 18.6 | -179 | -52.8 | -63.7 | 0 | 0 | 0 | 113.7 | H10 L11 L12 E55 L59 | Y8-H10 PolarHBondContact O-N 3.43Å; Y8-H10 VanDerWaalsContact O-N 3.15Å; Y8-L11 HydrophobicContact CD1-CD1 3.77Å; Y8-L11 HydrophobicContact CG-CD1 4.27Å; Y8-L11 WeakPolarHBondContact O-CB 3.27Å; Y8-L11 PolarHBondContact O-N 3.35Å; Y8-L12 WeakPolarHBondContact O-CG 3.25Å; Y8-L12 PolarHBondContact O-N 3.27Å; Y8-E55 HydrophobicContact CD2-CG 4.26Å; Y8-E55 HydrophobicContact CE2-CG 3.53Å; Y8-E55 WeakPolarHBondContact CE2-OE1 3.18Å; Y8-E55 PolarHBondContact OH-OE1 3.45Å; Y8-L59 HydrophobicContact CD1-CD1 3.74Å; Y8-L59 HydrophobicContact CE1-CD1 3.62Å; Y8-L59 HydrophobicContact CE1-CD2 4.39Å; Y8-L59 HydrophobicContact CE1-CG 4.48Å; Y8-L59 HydrophobicContact CG-CD1 4.46Å |
| 9 | S | 68.1 | Low | 60.5 | Low | 49 Ų | 49 | 96.4 Ų | 96.4 | 34% | 0.343 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -54.3 | -36.3 | 178.8 | 57.2 | 0 | 0 | 0 | 0 | 112.3 | E5 S6 L11 L12 Q13 | E5-S9 VanDerWaalsContact O-CA 3.29Å; E5-S9 WeakPolarHBondContact O-CA 3.44Å; E5-S9 WeakPolarHBondContact O-CB 3.4Å; E5-S9 PolarHBondContact O-N 2.64Å; S6-S9 WeakPolarHBondContact O-CB 3.4Å; S6-S9 PolarHBondContact O-N 3.04Å; S6-S9 PolarHBondContact O-OG 2.76Å; S9-L11 VanDerWaalsContact C-N 3.3Å; S9-L11 PolarHBondContact O-N 2.83Å; S9-L12 PolarHBondContact O-N 3.37Å; S9-Q13 WeakPolarHBondContact O-CG 3.48Å; S9-Q13 PolarHBondContact O-N 3.07Å; S9-Q13 VanDerWaalsContact O-N 3.15Å |
| 10 | H | 71.5 | Confident | 60.6 | Low | 55 Ų | 55 | 97.2 Ų | 97.2 | 26% | 0.255 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.6 | -25.4 | 178.7 | 65.8 | -88.6 | 0 | 0 | 0 | 113.1 | R7 Y8 E29 | R7-H10 PolarHBondContact O-CE1 2.92Å; R7-H10 VanDerWaalsContact O-CE1 3.27Å; R7-H10 PolarHBondContact O-ND1 3.21Å; R7-H10 VanDerWaalsContact O-ND1 3.12Å; Y8-H10 PolarHBondContact O-N 3.43Å; Y8-H10 VanDerWaalsContact O-N 3.15Å; H10-E29 IonicContact CE1-OE1 2.66Å; H10-E29 IonicContact CE1-OE2 3.82Å; H10-E29 IonicContact NE2-OE1 3.96Å; H10-E29 IonicContact NE2-OE2 3.79Å |
| 11 | L | 70.8 | Confident | 60.8 | Low | 13 Ų | 13 | 93.4 Ų | 93.4 | 7% | 0.068 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -82.3 | -23.6 | 174.1 | -57.1 | 177.8 | 0 | 0 | 0 | 112.9 | Y8 S9 I24 L59 I66 | Y8-L11 HydrophobicContact CD1-CD1 3.77Å; Y8-L11 HydrophobicContact CG-CD1 4.27Å; Y8-L11 WeakPolarHBondContact O-CB 3.27Å; Y8-L11 PolarHBondContact O-N 3.35Å; S9-L11 VanDerWaalsContact C-N 3.3Å; S9-L11 PolarHBondContact O-N 2.83Å; L11-I24 HydrophobicContact CD2-CG2 3.9Å; L11-L59 HydrophobicContact CD1-CD1 3.49Å; L11-L59 VanDerWaalsContact CD1-CD1 3.49Å; L11-I66 HydrophobicContact CB-CD1 4.33Å; L11-I66 HydrophobicContact CD2-CD1 3.42Å; L11-I66 VanDerWaalsContact CD2-CD1 3.42Å; L11-I66 HydrophobicContact CG-CD1 4.49Å |
| 12 | L | 67.9 | Low | 62 | Low | 74 Ų | 74 | 88 Ų | 88 | 39% | 0.387 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -95.3 | -9.8 | -176.6 | -61.9 | 176.1 | 0 | 0 | 0 | 113.4 | Y8 S9 L58 | Y8-L12 WeakPolarHBondContact O-CG 3.25Å; Y8-L12 PolarHBondContact O-N 3.27Å; S9-L12 PolarHBondContact O-N 3.37Å; L12-L58 HydrophobicContact CD1-CD2 4.49Å; L12-L58 HydrophobicContact CD2-CD2 4.05Å |
| 13 | Q | 66.4 | Low | 63.2 | Low | 127 Ų | 127 | 86.7 Ų | 86.7 | 59% | 0.593 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -63.4 | 134.5 | 179.9 | -84.3 | 177.7 | 26.4 | 0 | 0 | 111.4 | S9 I15 | S9-Q13 WeakPolarHBondContact O-CG 3.48Å; S9-Q13 PolarHBondContact O-N 3.07Å; S9-Q13 VanDerWaalsContact O-N 3.15Å; Q13-I15 PolarHBondContact O-N 3.44Å |
| 14 | P | 61.7 | Low | 64.2 | Low | 88 Ų | 88 | 84.5 Ų | 84.5 | 57% | 0.571 | 41% | 0.41 | S | S | * | . | trans | -55.7 | 130.6 | 173.5 | -21.6 | 30.8 | 0 | 0 | 0 | 109.5 | R16 | P14-R16 VanDerWaalsContact C-N 3.29Å; P14-R16 HydrophobicContact CB-CG 4.46Å; P14-R16 WeakPolarHBondContact O-CG 3.46Å; P14-R16 PolarHBondContact O-N 2.95Å | ||
| 15 | I | 59.8 | Low | 65.2 | Low | 48 Ų | 48 | 86.6 Ų | 86.6 | 25% | 0.246 | 42% | 0.419 | C | S | . | . | trans | -73.2 | 87.9 | -171.5 | -67.6 | 174.9 | 0 | 0 | 0 | 109 | Q13 L18 N21 K69 | Q13-I15 PolarHBondContact O-N 3.44Å; I15-L18 HydrophobicContact CG2-CD1 4.17Å; I15-N21 WeakPolarHBondContact CG2-ND2 3.36Å; I15-K69 HydrophobicContact CB-CD 4.48Å; I15-K69 HydrophobicContact CD1-CD 3.28Å; I15-K69 HydrophobicContact CG1-CD 4.38Å; I15-K69 HydrophobicContact CG2-CD 4.13Å | ||
| 16 | R | 58.4 | Low | 66.5 | Low | 214 Ų | 214 | 80.8 Ų | 80.8 | 81% | 0.808 | 39% | 0.394 | S | S | * | . | trans | -96.7 | -31 | -176.1 | -72.9 | 175.3 | 179.6 | -176.3 | 1.5 | 112.4 | P14 | P14-R16 VanDerWaalsContact C-N 3.29Å; P14-R16 HydrophobicContact CB-CG 4.46Å; P14-R16 WeakPolarHBondContact O-CG 3.46Å; P14-R16 PolarHBondContact O-N 2.95Å | ||
| 17 | E | 57.2 | Low | 67.6 | Low | 108 Ų | 108 | 81.5 Ų | 81.5 | 51% | 0.505 | 40% | 0.402 | S | S | . | . | trans | -134.9 | 110.5 | -178.3 | -72.7 | 176.4 | -168.9 | 0 | 0 | 110.3 | T19 K20 | E17-T19 VanDerWaalsContact C-N 3.33Å; E17-T19 PolarHBondContact O-N 2.85Å; E17-K20 HydrophobicContact CB-CD 4.31Å; E17-K20 PolarHBondContact O-N 3.25Å; E17-K20 VanDerWaalsContact OE2-CD 3.32Å; E17-K20 WeakPolarHBondContact OE2-CD 3.35Å; E17-K20 WeakPolarHBondContact OE2-CE 3.4Å; E17-K20 IonicContact OE2-NZ 2.96Å; E17-K20 PolarHBondContact OE2-NZ 3.47Å | ||
| 18 | L | 56.1 | Low | 68.4 | Low | 83 Ų | 83 | 78 Ų | 78 | 44% | 0.435 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -69.3 | -25.8 | -172.6 | -89.4 | 69.4 | 0 | 0 | 0 | 114 | I15 N21 L73 | I15-L18 HydrophobicContact CG2-CD1 4.17Å; L18-N21 PolarHBondContact O-N 2.93Å; L18-L73 HydrophobicContact CB-CD1 4.12Å; L18-L73 HydrophobicContact CD2-CD1 3.68Å; L18-L73 HydrophobicContact CD2-CD2 3.32Å; L18-L73 HydrophobicContact CD2-CG 3.89Å; L18-L73 HydrophobicContact CG-CD1 3.96Å; L18-L73 HydrophobicContact CG-CD2 4.45Å |
| 19 | T | 60.4 | Low | 68.9 | Low | 112 Ų | 112 | 80.2 Ų | 80.2 | 69% | 0.687 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -70.2 | -35.5 | -179.8 | -45.9 | 0 | 0 | 0 | 0 | 111.9 | E17 N21 W22 | E17-T19 VanDerWaalsContact C-N 3.33Å; E17-T19 PolarHBondContact O-N 2.85Å; T19-N21 VanDerWaalsContact C-N 3.25Å; T19-N21 PolarHBondContact O-N 2.8Å; T19-W22 PolarHBondContact O-N 2.9Å |
| 20 | K | 62.9 | Low | 69.7 | Low | 113 Ų | 113 | 80.8 Ų | 80.8 | 49% | 0.491 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -70.3 | -20.2 | 176.9 | -68.5 | 178.1 | 175.5 | 162.7 | 0 | 113.1 | E17 W22 E23 | E17-K20 HydrophobicContact CB-CD 4.31Å; E17-K20 PolarHBondContact O-N 3.25Å; E17-K20 VanDerWaalsContact OE2-CD 3.32Å; E17-K20 WeakPolarHBondContact OE2-CD 3.35Å; E17-K20 WeakPolarHBondContact OE2-CE 3.4Å; E17-K20 IonicContact OE2-NZ 2.96Å; E17-K20 PolarHBondContact OE2-NZ 3.47Å; K20-W22 VanDerWaalsContact C-N 3.35Å; K20-E23 WeakPolarHBondContact O-CB 3.38Å; K20-E23 PolarHBondContact O-N 3.49Å |
| 21 | N | 63.4 | Low | 70.4 | Confident | 18 Ų | 18 | 81.8 Ų | 81.8 | 10% | 0.096 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -73.6 | -25.6 | 175.5 | -72.3 | -20.2 | 0 | 0 | 0 | 113.2 | I15 L18 T19 I24 K70 | I15-N21 WeakPolarHBondContact CG2-ND2 3.36Å; L18-N21 PolarHBondContact O-N 2.93Å; T19-N21 VanDerWaalsContact C-N 3.25Å; T19-N21 PolarHBondContact O-N 2.8Å; N21-I24 PolarHBondContact O-N 3.19Å; N21-K70 WeakPolarHBondContact O-CE 3.43Å; N21-K70 PolarHBondContact O-NZ 2.79Å |
| 22 | W | 66.5 | Low | 71.1 | Confident | 129 Ų | 129 | 85 Ų | 85 | 49% | 0.489 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -70.8 | -25.7 | 173.1 | -77.5 | 96 | 0 | 0 | 0 | 112 | T19 K20 I24 L73 | T19-W22 PolarHBondContact O-N 2.9Å; K20-W22 VanDerWaalsContact C-N 3.35Å; W22-I24 VanDerWaalsContact C-N 3.29Å; W22-L73 HydrophobicContact CZ2-CB 4.34Å |
| 23 | E | 66.9 | Low | 71.9 | Confident | 150 Ų | 150 | 82.8 Ų | 82.8 | 70% | 0.701 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -75.2 | -19.1 | 176.6 | -58.9 | 172.5 | 175.7 | 0 | 0 | 112.4 | K20 D25 | K20-E23 WeakPolarHBondContact O-CB 3.38Å; K20-E23 PolarHBondContact O-N 3.49Å; E23-D25 PolarHBondContact O-N 2.95Å |
| 24 | I | 76.1 | Confident | 72.7 | Confident | 25 Ų | 25 | 81.5 Ų | 81.5 | 13% | 0.128 | 41% | 0.413 | C | S | . | . | trans | -79.7 | 109.1 | 176.4 | -57.2 | 171.3 | 0 | 0 | 0 | 108.9 | L11 N21 W22 V26 I66 K70 | L11-I24 HydrophobicContact CD2-CG2 3.9Å; N21-I24 PolarHBondContact O-N 3.19Å; W22-I24 VanDerWaalsContact C-N 3.29Å; I24-V26 HydrophobicContact CG2-CG2 4.2Å; I24-V26 PolarHBondContact O-N 3.3Å; I24-V26 VanDerWaalsContact O-N 3.15Å; I24-I66 HydrophobicContact CD1-CD1 4.18Å; I24-I66 HydrophobicContact CG2-CD1 4.43Å; I24-K70 PolarHBondContact O-NZ 3.21Å | ||
| 25 | D | 78.4 | Confident | 73.8 | Confident | 92 Ų | 92 | 82.2 Ų | 82.2 | 49% | 0.492 | 41% | 0.409 | S | S | . | . | trans | -81.6 | 89.7 | 172.9 | -169.4 | 0.4 | 0 | 0 | 0 | 110.7 | E23 A27 S28 E29 | E23-D25 PolarHBondContact O-N 2.95Å; D25-A27 PolarHBondContact O-N 2.9Å; D25-A27 WeakPolarHBondContact OD1-CB 3.44Å; D25-A27 PolarHBondContact OD1-N 3.37Å; D25-S28 WeakPolarHBondContact CB-OG 3.49Å; D25-S28 PolarHBondContact O-N 3.42Å; D25-S28 PolarHBondContact O-OG 2.88Å; D25-S28 PolarHBondContact OD1-N 2.75Å; D25-E29 WeakPolarHBondContact O-CG 3.27Å; D25-E29 PolarHBondContact O-N 3.19Å | ||
| 26 | V | 83.1 | Confident | 74.8 | Confident | 18 Ų | 18 | 83.2 Ų | 83.2 | 11% | 0.109 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62.6 | -26 | 178.2 | -178.1 | 0 | 0 | 0 | 0 | 111.4 | I24 L30 S63 I66 | I24-V26 HydrophobicContact CG2-CG2 4.2Å; I24-V26 PolarHBondContact O-N 3.3Å; I24-V26 VanDerWaalsContact O-N 3.15Å; V26-L30 HydrophobicContact CG1-CD1 3.88Å; V26-L30 HydrophobicContact CG1-CG 4.29Å; V26-L30 WeakPolarHBondContact O-CB 3.33Å; V26-L30 VanDerWaalsContact O-CG 3.24Å; V26-L30 WeakPolarHBondContact O-CG 3.28Å; V26-L30 PolarHBondContact O-N 3.43Å; V26-S63 VanDerWaalsContact CG1-CB 3.46Å; V26-I66 HydrophobicContact CG2-CB 4.24Å; V26-I66 HydrophobicContact CG2-CG2 3.76Å |
| 27 | A | 84.6 | Confident | 75.8 | Confident | 69 Ų | 69 | 75.4 Ų | 75.4 | 57% | 0.57 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -73.9 | -42.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | D25 N31 | D25-A27 PolarHBondContact O-N 2.9Å; D25-A27 WeakPolarHBondContact OD1-CB 3.44Å; D25-A27 PolarHBondContact OD1-N 3.37Å; A27-N31 VanDerWaalsContact O-CB 3.3Å; A27-N31 WeakPolarHBondContact O-CB 3.38Å; A27-N31 PolarHBondContact O-N 2.78Å |
| 28 | S | 83.9 | Confident | 76.7 | Confident | 44 Ų | 44 | 76.6 Ų | 76.6 | 31% | 0.308 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65 | -46.9 | 175.5 | 64.5 | 0 | 0 | 0 | 0 | 111.5 | D25 L30 N31 D32 | D25-S28 WeakPolarHBondContact CB-OG 3.49Å; D25-S28 PolarHBondContact O-N 3.42Å; D25-S28 PolarHBondContact O-OG 2.88Å; D25-S28 PolarHBondContact OD1-N 2.75Å; S28-L30 VanDerWaalsContact C-N 3.31Å; S28-L30 PolarHBondContact O-N 3.25Å; S28-N31 PolarHBondContact O-N 3.5Å; S28-N31 VanDerWaalsContact O-N 3.09Å; S28-D32 WeakPolarHBondContact O-CB 3.29Å; S28-D32 PolarHBondContact O-N 3.03Å |
| 29 | E | 82.2 | Confident | 77.5 | Confident | 56 Ų | 56 | 80.5 Ų | 80.5 | 26% | 0.262 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.2 | -35.2 | -179.3 | -67.2 | -77.9 | 158.1 | 0 | 0 | 113.1 | H10 D25 Y33 | H10-E29 IonicContact CE1-OE1 2.66Å; H10-E29 IonicContact CE1-OE2 3.82Å; H10-E29 IonicContact NE2-OE1 3.96Å; H10-E29 IonicContact NE2-OE2 3.79Å; D25-E29 WeakPolarHBondContact O-CG 3.27Å; D25-E29 PolarHBondContact O-N 3.19Å; E29-Y33 PolarHBondContact O-N 2.96Å |
| 30 | L | 85.8 | Confident | 77.7 | Confident | 61 Ų | 61 | 78.9 Ų | 78.9 | 32% | 0.319 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -74.2 | -36.9 | 174.2 | -72.7 | 174.4 | 0 | 0 | 0 | 112.2 | V26 S28 Y33 L34 L59 | V26-L30 HydrophobicContact CG1-CD1 3.88Å; V26-L30 HydrophobicContact CG1-CG 4.29Å; V26-L30 WeakPolarHBondContact O-CB 3.33Å; V26-L30 VanDerWaalsContact O-CG 3.24Å; V26-L30 WeakPolarHBondContact O-CG 3.28Å; V26-L30 PolarHBondContact O-N 3.43Å; S28-L30 VanDerWaalsContact C-N 3.31Å; S28-L30 PolarHBondContact O-N 3.25Å; L30-Y33 PolarHBondContact O-N 3.28Å; L30-L34 WeakPolarHBondContact O-CG 3.4Å; L30-L34 PolarHBondContact O-N 3.33Å; L30-L59 HydrophobicContact CD2-CD1 4.34Å; L30-L59 HydrophobicContact CD2-CD2 4.14Å; L30-L59 HydrophobicContact CD2-CG 3.96Å |
| 31 | N | 86.6 | Confident | 77.1 | Confident | 76 Ų | 76 | 78 Ų | 78 | 41% | 0.406 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.9 | -44.7 | 177.4 | -174.4 | 79.1 | 0 | 0 | 0 | 111.2 | A27 S28 Y33 L34 E35 | A27-N31 VanDerWaalsContact O-CB 3.3Å; A27-N31 WeakPolarHBondContact O-CB 3.38Å; A27-N31 PolarHBondContact O-N 2.78Å; S28-N31 PolarHBondContact O-N 3.5Å; S28-N31 VanDerWaalsContact O-N 3.09Å; N31-Y33 VanDerWaalsContact C-N 3.25Å; N31-Y33 PolarHBondContact O-N 3.48Å; N31-L34 WeakPolarHBondContact O-CB 3.44Å; N31-L34 PolarHBondContact O-N 2.86Å; N31-E35 PolarHBondContact ND2-OE1 2.96Å; N31-E35 WeakPolarHBondContact O-CG 3.21Å; N31-E35 PolarHBondContact O-N 3.08Å |
| 32 | D | 85.3 | Confident | 76.7 | Confident | 80 Ų | 80 | 84.7 Ų | 84.7 | 43% | 0.428 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -58.5 | -39.5 | 176.4 | -64.4 | -9.5 | 0 | 0 | 0 | 110.9 | S28 E35 E36 | S28-D32 WeakPolarHBondContact O-CB 3.29Å; S28-D32 PolarHBondContact O-N 3.03Å; D32-E35 PolarHBondContact O-N 3.4Å; D32-E36 WeakPolarHBondContact O-CG 3.26Å; D32-E36 PolarHBondContact O-N 3.44Å |
| 33 | Y | 84.2 | Confident | 75.7 | Confident | 27 Ų | 27 | 82 Ų | 82 | 11% | 0.106 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -70.1 | -36 | 174.9 | -172.7 | -106.4 | 0 | 0 | 0 | 113.4 | E29 L30 N31 E35 E36 L37 E55 A56 L59 | E29-Y33 PolarHBondContact O-N 2.96Å; L30-Y33 PolarHBondContact O-N 3.28Å; N31-Y33 VanDerWaalsContact C-N 3.25Å; N31-Y33 PolarHBondContact O-N 3.48Å; Y33-E35 VanDerWaalsContact C-N 3.35Å; Y33-E36 PolarHBondContact O-N 3.26Å; Y33-L37 HydrophobicContact CD1-CD1 3.85Å; Y33-L37 HydrophobicContact CD1-CG 4.21Å; Y33-L37 HydrophobicContact CE1-CD1 3.55Å; Y33-L37 HydrophobicContact CE1-CD2 4.25Å; Y33-L37 HydrophobicContact CE1-CG 3.91Å; Y33-L37 VanDerWaalsContact O-CG 3.32Å; Y33-L37 WeakPolarHBondContact O-CG 3.49Å; Y33-L37 PolarHBondContact O-N 3.13Å; Y33-E55 HydrophobicContact CE2-CG 4.36Å; Y33-A56 HydrophobicContact CE1-CB 4.24Å; Y33-A56 WeakPolarHBondContact OH-CB 3.38Å; Y33-L59 VanDerWaalsContact CB-CD2 3.49Å; Y33-L59 HydrophobicContact CD1-CD2 3.51Å; Y33-L59 HydrophobicContact CD2-CD2 3.87Å; Y33-L59 HydrophobicContact CE1-CD2 4.17Å; Y33-L59 HydrophobicContact CE2-CD2 4.49Å; Y33-L59 HydrophobicContact CG-CD2 3.32Å |
| 34 | L | 84.1 | Confident | 75 | Confident | 100 Ų | 100 | 84.9 Ų | 84.9 | 52% | 0.524 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.2 | -38.6 | 174.3 | -72.7 | 171.3 | 0 | 0 | 0 | 111.4 | L30 N31 L37 D38 | L30-L34 WeakPolarHBondContact O-CG 3.4Å; L30-L34 PolarHBondContact O-N 3.33Å; N31-L34 WeakPolarHBondContact O-CB 3.44Å; N31-L34 PolarHBondContact O-N 2.86Å; L34-L37 HydrophobicContact CD2-CD1 4.34Å; L34-L37 WeakPolarHBondContact O-CB 3.35Å; L34-L37 PolarHBondContact O-N 2.92Å; L34-D38 PolarHBondContact O-N 3.26Å |
| 35 | E | 85 | Confident | 73.7 | Confident | 104 Ų | 104 | 89.8 Ų | 89.8 | 49% | 0.486 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 173 | -70.2 | 177.9 | -170.1 | 0 | 0 | 111.2 | N31 D32 Y33 L37 D38 E39 | N31-E35 PolarHBondContact ND2-OE1 2.96Å; N31-E35 WeakPolarHBondContact O-CG 3.21Å; N31-E35 PolarHBondContact O-N 3.08Å; D32-E35 PolarHBondContact O-N 3.4Å; Y33-E35 VanDerWaalsContact C-N 3.35Å; E35-L37 VanDerWaalsContact C-N 3.29Å; E35-L37 PolarHBondContact O-N 3.05Å; E35-D38 PolarHBondContact O-N 3Å; E35-E39 WeakPolarHBondContact O-CG 3.3Å; E35-E39 PolarHBondContact O-N 2.87Å |
| 36 | E | 80.3 | Confident | 72.5 | Confident | 68 Ų | 68 | 89.3 Ų | 89.3 | 32% | 0.318 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.3 | -38.8 | 172.1 | -74.4 | -173.7 | 171.7 | 0 | 0 | 111.9 | R7 D32 Y33 E39 M40 | R7-E36 IonicContact CZ-OE1 2.99Å; R7-E36 VanDerWaalsContact CZ-OE1 3.26Å; R7-E36 IonicContact CZ-OE2 2.83Å; R7-E36 VanDerWaalsContact NH1-CD 3.35Å; R7-E36 IonicContact NH1-OE1 3.43Å; R7-E36 PolarHBondContact NH1-OE1 3.4Å; R7-E36 IonicContact NH1-OE2 2.8Å; R7-E36 PolarHBondContact NH1-OE2 2.79Å; R7-E36 IonicContact NH2-OE1 3.26Å; R7-E36 PolarHBondContact NH2-OE1 2.68Å; R7-E36 IonicContact NH2-OE2 3.83Å; D32-E36 WeakPolarHBondContact O-CG 3.26Å; D32-E36 PolarHBondContact O-N 3.44Å; Y33-E36 PolarHBondContact O-N 3.26Å; E36-E39 PolarHBondContact O-N 2.91Å; E36-M40 VanDerWaalsContact O-CG 3.26Å; E36-M40 WeakPolarHBondContact O-CG 3.43Å; E36-M40 PolarHBondContact O-N 2.89Å |
| 37 | L | 79.1 | Confident | 71.1 | Confident | 51 Ų | 51 | 90.8 Ų | 90.8 | 27% | 0.267 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.1 | -35.7 | 176.8 | -73.9 | 176.7 | 0 | 0 | 0 | 113.1 | Y33 L34 E35 M40 L51 | Y33-L37 HydrophobicContact CD1-CD1 3.85Å; Y33-L37 HydrophobicContact CD1-CG 4.21Å; Y33-L37 HydrophobicContact CE1-CD1 3.55Å; Y33-L37 HydrophobicContact CE1-CD2 4.25Å; Y33-L37 HydrophobicContact CE1-CG 3.91Å; Y33-L37 VanDerWaalsContact O-CG 3.32Å; Y33-L37 WeakPolarHBondContact O-CG 3.49Å; Y33-L37 PolarHBondContact O-N 3.13Å; L34-L37 HydrophobicContact CD2-CD1 4.34Å; L34-L37 WeakPolarHBondContact O-CB 3.35Å; L34-L37 PolarHBondContact O-N 2.92Å; E35-L37 VanDerWaalsContact C-N 3.29Å; E35-L37 PolarHBondContact O-N 3.05Å; L37-M40 WeakPolarHBondContact O-CB 3.22Å; L37-M40 PolarHBondContact O-N 2.8Å; L37-L51 HydrophobicContact CD2-CD2 3.39Å |
| 38 | D | 76 | Confident | 69.6 | Low | 133 Ų | 133 | 98.8 Ų | 98.8 | 71% | 0.711 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -71.4 | -34.1 | 176.4 | -80.2 | -13.2 | 0 | 0 | 0 | 111.7 | L34 E35 M40 | L34-D38 PolarHBondContact O-N 3.26Å; E35-D38 PolarHBondContact O-N 3Å; D38-M40 VanDerWaalsContact C-N 3.31Å |
| 39 | E | 72.5 | Confident | 68.3 | Low | 164 Ų | 164 | 100.6 Ų | 100.6 | 77% | 0.766 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -70 | -26.8 | 171.5 | -70.9 | -174.3 | 176.2 | 0 | 0 | 112.8 | E35 E36 C41 | E35-E39 WeakPolarHBondContact O-CG 3.3Å; E35-E39 PolarHBondContact O-N 2.87Å; E36-E39 PolarHBondContact O-N 2.91Å; E39-C41 PolarHBondContact O-N 3.39Å |
| 40 | M | 65.7 | Low | 67.2 | Low | 79 Ų | 79 | 108 Ų | 108 | 39% | 0.389 | 56% | 0.56 | S | S | . | * | trans | -73.6 | 60.8 | 172.4 | -72.7 | -177.6 | 71.2 | 0 | 0 | 111.9 | E36 L37 D38 I42 L51 | E36-M40 VanDerWaalsContact O-CG 3.26Å; E36-M40 WeakPolarHBondContact O-CG 3.43Å; E36-M40 PolarHBondContact O-N 2.89Å; L37-M40 WeakPolarHBondContact O-CB 3.22Å; L37-M40 PolarHBondContact O-N 2.8Å; D38-M40 VanDerWaalsContact C-N 3.31Å; M40-I42 PolarHBondContact O-N 3.13Å; M40-L51 HydrophobicContact CE-CD2 4.23Å | ||
| 41 | C | 50.3 | Low | 66.3 | Low | 95 Ų | 95 | 109.1 Ų | 109.1 | 64% | 0.642 | 57% | 0.566 | S | S | * | * | trans | -57.9 | 126.2 | 169 | -75.3 | 0 | 0 | 0 | 0 | 110.3 | E39 T43 | E39-C41 PolarHBondContact O-N 3.39Å; C41-T43 VanDerWaalsContact C-N 3.35Å; C41-T43 PolarHBondContact O-N 2.99Å | ||
| 42 | I | 54.9 | Low | 65.8 | Low | 157 Ų | 157 | 108.5 Ų | 108.5 | 81% | 0.805 | 56% | 0.563 | S | S | * | * | trans | -58.3 | 91.2 | 178.2 | -57.7 | 166.4 | 0 | 0 | 0 | 109.2 | M40 | M40-I42 PolarHBondContact O-N 3.13Š| ||
| 43 | T | 45.3 | Very low | 65.7 | Low | 73 Ų | 73 | 112.1 Ų | 112.1 | 45% | 0.448 | 58% | 0.575 | S | S | . | * | trans | -78.8 | 130.8 | 171.7 | 49.6 | 0 | 0 | 0 | 0 | 109.1 | C41 D45 T49 | C41-T43 VanDerWaalsContact C-N 3.35Å; C41-T43 PolarHBondContact O-N 2.99Å; T43-D45 PolarHBondContact O-N 3.34Å; T43-T49 PolarHBondContact OG1-OG1 3.39Å | ||
| 44 | F | 51 | Low | 65.5 | Low | 211 Ų | 211 | 113.9 Ų | 113.9 | 93% | 0.925 | 60% | 0.595 | S | S | * | * | trans | -68.2 | 30.7 | 171.8 | -92.4 | -94.6 | 0 | 0 | 0 | 112.6 | G46 | F44-G46 PolarHBondContact O-N 3.23Å; F44-G46 VanDerWaalsContact O-N 3.17Å | ||
| 45 | D | 50.6 | Low | 65.3 | Low | 128 Ų | 128 | 110.2 Ų | 110.2 | 68% | 0.684 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -90.1 | 42.5 | -176.9 | -104.5 | -0.3 | 0 | 0 | 0 | 112 | T43 G47 | T43-D45 PolarHBondContact O-N 3.34Å; D45-G47 VanDerWaalsContact C-N 3.32Å; D45-G47 PolarHBondContact O-N 3.32Å |
| 46 | G | 51.7 | Low | 65.2 | Low | 82 Ų | 82 | 106.1 Ų | 106.1 | 85% | 0.845 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65.2 | 28.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | F44 | F44-G46 PolarHBondContact O-N 3.23Å; F44-G46 VanDerWaalsContact O-N 3.17Å |
| 47 | G | 54.1 | Low | 65.3 | Low | 48 Ų | 48 | 105.4 Ų | 105.4 | 50% | 0.495 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 79.4 | 31.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | D45 R50 | D45-G47 VanDerWaalsContact C-N 3.32Å; D45-G47 PolarHBondContact O-N 3.32Å; G47-R50 WeakPolarHBondContact O-CD 3.41Å; G47-R50 VanDerWaalsContact O-CG 3.31Å; G47-R50 WeakPolarHBondContact O-CG 3.19Å |
| 48 | R | 54.1 | Low | 65.5 | Low | 237 Ų | 237 | 105.6 Ų | 105.6 | 89% | 0.894 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -80.6 | -29.9 | 174.4 | -110.2 | 170 | 175 | 126.2 | -2.5 | 114.1 | ||
| 49 | T | 56.7 | Low | 65.9 | Low | 82 Ų | 82 | 99.3 Ų | 99.3 | 50% | 0.503 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -99.4 | 76.6 | 173.1 | 42.4 | 0 | 0 | 0 | 0 | 109.5 | T43 | T43-T49 PolarHBondContact OG1-OG1 3.39Š|
| 50 | R | 58.9 | Low | 66.6 | Low | 211 Ų | 211 | 96.4 Ų | 96.4 | 80% | 0.796 | 52% | 0.521 | S | S | * | . | trans | -87.8 | 123.8 | 172.4 | -65 | 175.2 | 73.5 | 174.5 | 2.3 | 107.6 | G47 N52 | G47-R50 WeakPolarHBondContact O-CD 3.41Å; G47-R50 VanDerWaalsContact O-CG 3.31Å; G47-R50 WeakPolarHBondContact O-CG 3.19Å; R50-N52 PolarHBondContact O-N 3.45Å | ||
| 51 | L | 67 | Low | 67.6 | Low | 85 Ų | 85 | 99 Ų | 99 | 45% | 0.445 | 53% | 0.532 | S | S | . | . | trans | -42.4 | 125.2 | 169.9 | -71.2 | 161.1 | 0 | 0 | 0 | 109.9 | L37 M40 F53 | L37-L51 HydrophobicContact CD2-CD2 3.39Å; M40-L51 HydrophobicContact CE-CD2 4.23Å; L51-F53 HydrophobicContact CB-CE2 4.27Å; L51-F53 HydrophobicContact CB-CZ 4.24Å; L51-F53 WeakPolarHBondContact O-CD2 3.35Å; L51-F53 PolarHBondContact O-N 2.84Å | ||
| 52 | N | 76 | Confident | 69.2 | Low | 63 Ų | 63 | 94.7 Ų | 94.7 | 34% | 0.337 | 50% | 0.504 | S | S | . | . | trans | -80.8 | 83.4 | -177.7 | -172 | -2.6 | 0 | 0 | 0 | 110.2 | R50 A54 E55 A56 | R50-N52 PolarHBondContact O-N 3.45Å; N52-A54 PolarHBondContact O-N 2.9Å; N52-A54 PolarHBondContact OD1-N 3.15Å; N52-E55 HydrophobicContact CB-CB 3.98Å; N52-E55 VanDerWaalsContact CG-CB 3.47Å; N52-E55 VanDerWaalsContact ND2-CB 3.34Å; N52-E55 WeakPolarHBondContact ND2-CB 3.36Å; N52-E55 PolarHBondContact ND2-OE2 2.81Å; N52-E55 PolarHBondContact O-N 3.38Å; N52-E55 VanDerWaalsContact O-N 3.16Å; N52-E55 PolarHBondContact OD1-N 3.25Å; N52-A56 PolarHBondContact O-N 3.27Å | ||
| 53 | F | 81.4 | Confident | 70.7 | Confident | 156 Ų | 156 | 87.6 Ų | 87.6 | 68% | 0.684 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -60.6 | -27.1 | 179.9 | -67.6 | -73 | 0 | 0 | 0 | 113.7 | L51 A57 | L51-F53 HydrophobicContact CB-CE2 4.27Å; L51-F53 HydrophobicContact CB-CZ 4.24Å; L51-F53 WeakPolarHBondContact O-CD2 3.35Å; L51-F53 PolarHBondContact O-N 2.84Å; F53-A57 WeakPolarHBondContact O-CB 3.4Å; F53-A57 PolarHBondContact O-N 2.72Å |
| 54 | A | 80.6 | Confident | 72.7 | Confident | 64 Ų | 64 | 87.7 Ų | 87.7 | 53% | 0.529 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.4 | -40.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | N52 L58 | N52-A54 PolarHBondContact O-N 2.9Å; N52-A54 PolarHBondContact OD1-N 3.15Å; A54-L58 WeakPolarHBondContact O-CG 3.23Å; A54-L58 PolarHBondContact O-N 2.82Å; A54-L58 VanDerWaalsContact O-N 3.1Å |
| 55 | E | 79.4 | Confident | 74.3 | Confident | 23 Ų | 23 | 80.4 Ų | 80.4 | 11% | 0.107 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -68.2 | -45.3 | 174.3 | -175.1 | 175.8 | 177.5 | 0 | 0 | 111.7 | T4 R7 Y8 Y33 N52 A57 L58 L59 | T4-E55 HydrophobicContact CG2-CB 4.22Å; T4-E55 HydrophobicContact CG2-CG 4.16Å; R7-E55 IonicContact NH1-OE1 3.33Å; R7-E55 PolarHBondContact NH1-OE1 2.98Å; Y8-E55 HydrophobicContact CD2-CG 4.26Å; Y8-E55 HydrophobicContact CE2-CG 3.53Å; Y8-E55 WeakPolarHBondContact CE2-OE1 3.18Å; Y8-E55 PolarHBondContact OH-OE1 3.45Å; Y33-E55 HydrophobicContact CE2-CG 4.36Å; N52-E55 HydrophobicContact CB-CB 3.98Å; N52-E55 VanDerWaalsContact CG-CB 3.47Å; N52-E55 VanDerWaalsContact ND2-CB 3.34Å; N52-E55 WeakPolarHBondContact ND2-CB 3.36Å; N52-E55 PolarHBondContact ND2-OE2 2.81Å; N52-E55 PolarHBondContact O-N 3.38Å; N52-E55 VanDerWaalsContact O-N 3.16Å; N52-E55 PolarHBondContact OD1-N 3.25Å; E55-A57 VanDerWaalsContact C-N 3.32Å; E55-A57 PolarHBondContact O-N 3.01Å; E55-L58 PolarHBondContact O-N 3.45Å; E55-L59 WeakPolarHBondContact O-CB 3.41Å; E55-L59 PolarHBondContact O-N 3.34Å |
| 56 | A | 82.8 | Confident | 75.9 | Confident | 18 Ų | 18 | 74.5 Ų | 74.5 | 15% | 0.149 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -57.4 | -44.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y33 N52 L59 I60 | Y33-A56 HydrophobicContact CE1-CB 4.24Å; Y33-A56 WeakPolarHBondContact OH-CB 3.38Å; N52-A56 PolarHBondContact O-N 3.27Å; A56-L59 PolarHBondContact O-N 2.89Å; A56-I60 WeakPolarHBondContact O-CB 3.41Å; A56-I60 WeakPolarHBondContact O-CD1 3.39Å; A56-I60 WeakPolarHBondContact O-CG1 3.29Å; A56-I60 PolarHBondContact O-N 2.84Å |
| 57 | A | 83.4 | Confident | 77.5 | Confident | 54 Ų | 54 | 77.8 Ų | 77.8 | 45% | 0.446 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | F53 E55 Q61 | F53-A57 WeakPolarHBondContact O-CB 3.4Å; F53-A57 PolarHBondContact O-N 2.72Å; E55-A57 VanDerWaalsContact C-N 3.32Å; E55-A57 PolarHBondContact O-N 3.01Å; A57-Q61 WeakPolarHBondContact O-CB 3.42Å; A57-Q61 PolarHBondContact O-N 3.13Å |
| 58 | L | 82.5 | Confident | 79.1 | Confident | 54 Ų | 54 | 78.1 Ų | 78.1 | 28% | 0.283 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 177.1 | -75.9 | 169.8 | 0 | 0 | 0 | 112 | L12 A54 E55 Q61 G62 | L12-L58 HydrophobicContact CD1-CD2 4.49Å; L12-L58 HydrophobicContact CD2-CD2 4.05Å; A54-L58 WeakPolarHBondContact O-CG 3.23Å; A54-L58 PolarHBondContact O-N 2.82Å; A54-L58 VanDerWaalsContact O-N 3.1Å; E55-L58 PolarHBondContact O-N 3.45Å; L58-Q61 PolarHBondContact O-N 2.84Å; L58-G62 PolarHBondContact O-N 3.13Å |
| 59 | L | 83.9 | Confident | 80.5 | Confident | 2 Ų | 2 | 70.2 Ų | 70.2 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.7 | -47.4 | 177.7 | -179.9 | 60.8 | 0 | 0 | 0 | 111.4 | Y8 L11 L30 Y33 E55 A56 Q61 G62 S63 | Y8-L59 HydrophobicContact CD1-CD1 3.74Å; Y8-L59 HydrophobicContact CE1-CD1 3.62Å; Y8-L59 HydrophobicContact CE1-CD2 4.39Å; Y8-L59 HydrophobicContact CE1-CG 4.48Å; Y8-L59 HydrophobicContact CG-CD1 4.46Å; L11-L59 HydrophobicContact CD1-CD1 3.49Å; L11-L59 VanDerWaalsContact CD1-CD1 3.49Å; L30-L59 HydrophobicContact CD2-CD1 4.34Å; L30-L59 HydrophobicContact CD2-CD2 4.14Å; L30-L59 HydrophobicContact CD2-CG 3.96Å; Y33-L59 VanDerWaalsContact CB-CD2 3.49Å; Y33-L59 HydrophobicContact CD1-CD2 3.51Å; Y33-L59 HydrophobicContact CD2-CD2 3.87Å; Y33-L59 HydrophobicContact CE1-CD2 4.17Å; Y33-L59 HydrophobicContact CE2-CD2 4.49Å; Y33-L59 HydrophobicContact CG-CD2 3.32Å; E55-L59 WeakPolarHBondContact O-CB 3.41Å; E55-L59 PolarHBondContact O-N 3.34Å; A56-L59 PolarHBondContact O-N 2.89Å; L59-Q61 PolarHBondContact O-N 2.91Å; L59-G62 PolarHBondContact O-N 3.16Å; L59-S63 VanDerWaalsContact O-CB 3.25Å; L59-S63 WeakPolarHBondContact O-CB 3.4Å; L59-S63 PolarHBondContact O-N 3.42Å; L59-S63 PolarHBondContact O-OG 3.36Å |
| 60 | I | 88.6 | Confident | 81.9 | Confident | 102 Ų | 102 | 68.2 Ų | 68.2 | 52% | 0.523 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 177.5 | -69.5 | 167.3 | 0 | 0 | 0 | 110.7 | A56 S63 T64 | A56-I60 WeakPolarHBondContact O-CB 3.41Å; A56-I60 WeakPolarHBondContact O-CD1 3.39Å; A56-I60 WeakPolarHBondContact O-CG1 3.29Å; A56-I60 PolarHBondContact O-N 2.84Å; I60-S63 WeakPolarHBondContact CA-OG 3.27Å; I60-S63 PolarHBondContact O-OG 3.32Å; I60-T64 VanDerWaalsContact O-CB 3.24Å; I60-T64 WeakPolarHBondContact O-CB 3.32Å; I60-T64 PolarHBondContact O-N 2.95Å; I60-T64 PolarHBondContact O-OG1 3.36Å |
| 61 | Q | 86.8 | Confident | 83.3 | Confident | 134 Ų | 134 | 61.5 Ų | 61.5 | 63% | 0.626 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64.1 | -46.3 | 179.3 | -177 | -175.7 | -29.2 | 0 | 0 | 111.7 | A57 L58 L59 C65 | A57-Q61 WeakPolarHBondContact O-CB 3.42Å; A57-Q61 PolarHBondContact O-N 3.13Å; L58-Q61 PolarHBondContact O-N 2.84Å; L59-Q61 PolarHBondContact O-N 2.91Å; Q61-C65 WeakPolarHBondContact O-CB 3.45Å; Q61-C65 PolarHBondContact O-N 2.83Å; Q61-C65 VanDerWaalsContact O-N 3.12Å |
| 62 | G | 83.3 | Confident | 84.3 | Confident | 5 Ų | 5 | 63.4 Ų | 63.4 | 5% | 0.052 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.6 | -50.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L58 L59 T64 C65 I66 | L58-G62 PolarHBondContact O-N 3.13Å; L59-G62 PolarHBondContact O-N 3.16Å; G62-T64 PolarHBondContact O-N 3.29Å; G62-C65 PolarHBondContact O-N 3.44Å; G62-I66 WeakPolarHBondContact O-CG1 3.45Å; G62-I66 PolarHBondContact O-N 2.87Å |
| 63 | S | 86.8 | Confident | 84.6 | Confident | 8 Ų | 8 | 62.4 Ų | 62.4 | 6% | 0.056 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.1 | -45 | 178.7 | 55.2 | 0 | 0 | 0 | 0 | 112.5 | V26 L59 I60 C65 I66 Y67 | V26-S63 VanDerWaalsContact CG1-CB 3.46Å; L59-S63 VanDerWaalsContact O-CB 3.25Å; L59-S63 WeakPolarHBondContact O-CB 3.4Å; L59-S63 PolarHBondContact O-N 3.42Å; L59-S63 PolarHBondContact O-OG 3.36Å; I60-S63 WeakPolarHBondContact CA-OG 3.27Å; I60-S63 PolarHBondContact O-OG 3.32Å; S63-C65 PolarHBondContact O-N 2.84Å; S63-I66 PolarHBondContact O-N 3.05Å; S63-Y67 WeakPolarHBondContact O-CB 3.39Å; S63-Y67 PolarHBondContact O-N 3.37Å |
| 64 | T | 88 | Confident | 84.9 | Confident | 75 Ų | 75 | 59.4 Ų | 59.4 | 46% | 0.46 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 178.1 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | I60 G62 I66 Y67 S68 | I60-T64 VanDerWaalsContact O-CB 3.24Å; I60-T64 WeakPolarHBondContact O-CB 3.32Å; I60-T64 PolarHBondContact O-N 2.95Å; I60-T64 PolarHBondContact O-OG1 3.36Å; G62-T64 PolarHBondContact O-N 3.29Å; T64-I66 PolarHBondContact O-N 2.87Å; T64-Y67 PolarHBondContact O-N 3.43Å; T64-S68 PolarHBondContact O-N 3.43Å; T64-S68 PolarHBondContact O-OG 2.77Å; T64-S68 VanDerWaalsContact O-OG 3.06Å |
| 65 | C | 83.8 | Confident | 85.4 | Confident | 58 Ų | 58 | 61.5 Ų | 61.5 | 39% | 0.392 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 178 | -176.5 | 0 | 0 | 0 | 0 | 112.2 | Q61 G62 S63 K69 | Q61-C65 WeakPolarHBondContact O-CB 3.45Å; Q61-C65 PolarHBondContact O-N 2.83Å; Q61-C65 VanDerWaalsContact O-N 3.12Å; G62-C65 PolarHBondContact O-N 3.44Å; S63-C65 PolarHBondContact O-N 2.84Å; C65-K69 PolarHBondContact O-N 2.83Å |
| 66 | I | 83.6 | Confident | 85.9 | Confident | 3 Ų | 3 | 63.6 Ų | 63.6 | 2% | 0.015 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.2 | -43.7 | 178.1 | -65.5 | 169.4 | 0 | 0 | 0 | 110.6 | L11 I24 V26 G62 S63 T64 K69 K70 | L11-I66 HydrophobicContact CB-CD1 4.33Å; L11-I66 HydrophobicContact CD2-CD1 3.42Å; L11-I66 VanDerWaalsContact CD2-CD1 3.42Å; L11-I66 HydrophobicContact CG-CD1 4.49Å; I24-I66 HydrophobicContact CD1-CD1 4.18Å; I24-I66 HydrophobicContact CG2-CD1 4.43Å; V26-I66 HydrophobicContact CG2-CB 4.24Å; V26-I66 HydrophobicContact CG2-CG2 3.76Å; G62-I66 WeakPolarHBondContact O-CG1 3.45Å; G62-I66 PolarHBondContact O-N 2.87Å; S63-I66 PolarHBondContact O-N 3.05Å; T64-I66 PolarHBondContact O-N 2.87Å; I66-K69 PolarHBondContact O-N 3.45Å; I66-K70 HydrophobicContact CG2-CD 4.42Å; I66-K70 HydrophobicContact CG2-CG 4.45Å; I66-K70 WeakPolarHBondContact O-CG 3.19Å; I66-K70 PolarHBondContact O-N 3.24Å |
| 67 | Y | 86.4 | Confident | 86.2 | Confident | 151 Ų | 151 | 67.1 Ų | 67.1 | 59% | 0.592 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -59.3 | -49.1 | 178.4 | 179.5 | -97.6 | 0 | 0 | 0 | 112 | S63 T64 K69 K70 V71 | S63-Y67 WeakPolarHBondContact O-CB 3.39Å; S63-Y67 PolarHBondContact O-N 3.37Å; T64-Y67 PolarHBondContact O-N 3.43Å; Y67-K69 PolarHBondContact O-N 2.9Å; Y67-K70 WeakPolarHBondContact O-CB 3.25Å; Y67-K70 PolarHBondContact O-N 3.3Å; Y67-V71 HydrophobicContact CD1-CG2 4.23Å; Y67-V71 HydrophobicContact CE1-CG2 3.77Å; Y67-V71 HydrophobicContact CE2-CG2 4.31Å; Y67-V71 WeakPolarHBondContact O-CG2 3.27Å; Y67-V71 PolarHBondContact O-N 2.89Å |
| 68 | S | 87.4 | Confident | 86.7 | Confident | 55 Ų | 55 | 68.1 Ų | 68.1 | 39% | 0.385 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -55.2 | -42 | 177.4 | -63.1 | 0 | 0 | 0 | 0 | 112 | T64 V71 E72 | T64-S68 PolarHBondContact O-N 3.43Å; T64-S68 PolarHBondContact O-OG 2.77Å; T64-S68 VanDerWaalsContact O-OG 3.06Å; S68-V71 PolarHBondContact O-N 3.08Å; S68-E72 WeakPolarHBondContact O-CG 3.26Å; S68-E72 PolarHBondContact O-N 3.49Å |
| 69 | K | 83.3 | Confident | 87 | Confident | 72 Ų | 72 | 71 Ų | 71 | 31% | 0.313 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -70.6 | -35.8 | 177.7 | -75.4 | 171.8 | 172 | -172.3 | 0 | 113.3 | I15 C65 I66 Y67 V71 E72 L73 | I15-K69 HydrophobicContact CB-CD 4.48Å; I15-K69 HydrophobicContact CD1-CD 3.28Å; I15-K69 HydrophobicContact CG1-CD 4.38Å; I15-K69 HydrophobicContact CG2-CD 4.13Å; C65-K69 PolarHBondContact O-N 2.83Å; I66-K69 PolarHBondContact O-N 3.45Å; Y67-K69 PolarHBondContact O-N 2.9Å; K69-V71 VanDerWaalsContact C-N 3.29Å; K69-V71 PolarHBondContact O-N 3.12Å; K69-E72 PolarHBondContact O-N 3.26Å; K69-L73 WeakPolarHBondContact O-CB 3.36Å; K69-L73 VanDerWaalsContact O-CG 3.28Å; K69-L73 WeakPolarHBondContact O-CG 3.32Å; K69-L73 PolarHBondContact O-N 2.84Å |
| 70 | K | 86 | Confident | 87.4 | Confident | 39 Ų | 39 | 77.2 Ų | 77.2 | 17% | 0.17 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.8 | -41.1 | 172 | -74.3 | -174.2 | 178.3 | -170.4 | 0 | 110.9 | N21 I24 I66 Y67 L73 L74 | N21-K70 WeakPolarHBondContact O-CE 3.43Å; N21-K70 PolarHBondContact O-NZ 2.79Å; I24-K70 PolarHBondContact O-NZ 3.21Å; I66-K70 HydrophobicContact CG2-CD 4.42Å; I66-K70 HydrophobicContact CG2-CG 4.45Å; I66-K70 WeakPolarHBondContact O-CG 3.19Å; I66-K70 PolarHBondContact O-N 3.24Å; Y67-K70 WeakPolarHBondContact O-CB 3.25Å; Y67-K70 PolarHBondContact O-N 3.3Å; K70-L73 PolarHBondContact O-N 3.16Å; K70-L74 WeakPolarHBondContact O-CB 3.22Å; K70-L74 PolarHBondContact O-N 3.38Å |
| 71 | V | 89.2 | Confident | 87.5 | Confident | 71 Ų | 71 | 75.4 Ų | 75.4 | 43% | 0.43 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.3 | -47.3 | 176.8 | 175 | 0 | 0 | 0 | 0 | 111.6 | Y67 S68 K69 L73 L74 H75 | Y67-V71 HydrophobicContact CD1-CG2 4.23Å; Y67-V71 HydrophobicContact CE1-CG2 3.77Å; Y67-V71 HydrophobicContact CE2-CG2 4.31Å; Y67-V71 WeakPolarHBondContact O-CG2 3.27Å; Y67-V71 PolarHBondContact O-N 2.89Å; S68-V71 PolarHBondContact O-N 3.08Å; K69-V71 VanDerWaalsContact C-N 3.29Å; K69-V71 PolarHBondContact O-N 3.12Å; V71-L73 PolarHBondContact O-N 3.4Å; V71-L74 PolarHBondContact O-N 2.95Å; V71-H75 WeakPolarHBondContact O-CB 3.49Å; V71-H75 PolarHBondContact O-N 2.81Å |
| 72 | E | 86.4 | Confident | 87.8 | Confident | 124 Ų | 124 | 73.8 Ų | 73.8 | 58% | 0.579 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -58.1 | -37.4 | 175.7 | -74.3 | 175 | -175.4 | 0 | 0 | 112.2 | S68 K69 S76 | S68-E72 WeakPolarHBondContact O-CG 3.26Å; S68-E72 PolarHBondContact O-N 3.49Å; K69-E72 PolarHBondContact O-N 3.26Å; E72-S76 WeakPolarHBondContact O-CB 3.46Å; E72-S76 PolarHBondContact O-N 2.86Å; E72-S76 PolarHBondContact O-OG 2.82Å |
| 73 | L | 83.9 | Confident | 88.1 | Confident | 43 Ų | 43 | 79.1 Ų | 79.1 | 23% | 0.225 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -70.9 | -45.4 | 177.2 | -79 | 169.4 | 0 | 0 | 0 | 113.1 | L18 W22 K69 K70 V71 H75 S76 L77 | L18-L73 HydrophobicContact CB-CD1 4.12Å; L18-L73 HydrophobicContact CD2-CD1 3.68Å; L18-L73 HydrophobicContact CD2-CD2 3.32Å; L18-L73 HydrophobicContact CD2-CG 3.89Å; L18-L73 HydrophobicContact CG-CD1 3.96Å; L18-L73 HydrophobicContact CG-CD2 4.45Å; W22-L73 HydrophobicContact CZ2-CB 4.34Å; K69-L73 WeakPolarHBondContact O-CB 3.36Å; K69-L73 VanDerWaalsContact O-CG 3.28Å; K69-L73 WeakPolarHBondContact O-CG 3.32Å; K69-L73 PolarHBondContact O-N 2.84Å; K70-L73 PolarHBondContact O-N 3.16Å; V71-L73 PolarHBondContact O-N 3.4Å; L73-H75 VanDerWaalsContact C-N 3.27Å; L73-H75 PolarHBondContact O-N 3.43Å; L73-S76 PolarHBondContact O-N 3.31Å; L73-L77 VanDerWaalsContact O-CB 3.31Å; L73-L77 WeakPolarHBondContact O-CB 3.46Å; L73-L77 PolarHBondContact O-N 3.4Å |
| 74 | L | 87.8 | Confident | 88.3 | Confident | 92 Ų | 92 | 85.3 Ų | 85.3 | 48% | 0.482 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59.2 | -45.1 | 175.8 | -177.9 | 65.1 | 0 | 0 | 0 | 110.2 | K70 V71 S76 L77 V78 | K70-L74 WeakPolarHBondContact O-CB 3.22Å; K70-L74 PolarHBondContact O-N 3.38Å; V71-L74 PolarHBondContact O-N 2.95Å; L74-S76 PolarHBondContact O-N 2.91Å; L74-L77 PolarHBondContact O-N 2.88Å; L74-V78 HydrophobicContact CD1-CG2 4.47Å; L74-V78 WeakPolarHBondContact O-CB 3.3Å; L74-V78 VanDerWaalsContact O-CG2 3.25Å; L74-V78 WeakPolarHBondContact O-CG2 3.48Å; L74-V78 PolarHBondContact O-N 3.44Å |
| 75 | H | 90.1 | Very high | 88.5 | Confident | 109 Ų | 109 | 86.8 Ų | 86.8 | 51% | 0.505 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -56.7 | -52.5 | 174.2 | 179.4 | -84.8 | 0 | 0 | 0 | 110.7 | V71 L73 L77 V78 F79 | V71-H75 WeakPolarHBondContact O-CB 3.49Å; V71-H75 PolarHBondContact O-N 2.81Å; L73-H75 VanDerWaalsContact C-N 3.27Å; L73-H75 PolarHBondContact O-N 3.43Å; H75-L77 VanDerWaalsContact C-N 3.32Å; H75-L77 PolarHBondContact O-N 2.78Å; H75-V78 PolarHBondContact O-N 3.43Å; H75-F79 AromaticContact CD2-CE2 3.65Å; H75-F79 AromaticContact CE1-CD2 3.39Å; H75-F79 WeakPolarHBondContact CE1-CD2 3.48Å; H75-F79 AromaticContact CE1-CE2 3.25Å; H75-F79 WeakPolarHBondContact CE1-CE2 3.24Å; H75-F79 AromaticContact ND1-CD2 3.62Å; H75-F79 AromaticContact ND1-CE2 3.89Å; H75-F79 AromaticContact NE2-CD2 3.67Å; H75-F79 AromaticContact NE2-CE2 3.09Å; H75-F79 WeakPolarHBondContact NE2-CE2 3.39Å; H75-F79 AromaticContact NE2-CZ 3.95Å; H75-F79 VanDerWaalsContact O-CD2 3.28Å; H75-F79 WeakPolarHBondContact O-CD2 3.29Å; H75-F79 PolarHBondContact O-N 2.97Å |
| 76 | S | 89.4 | Confident | 88.6 | Confident | 66 Ų | 66 | 85.9 Ų | 85.9 | 46% | 0.462 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59 | -41 | 178.9 | -57.9 | 0 | 0 | 0 | 0 | 112.7 | E72 L73 L74 F79 Q80 | E72-S76 WeakPolarHBondContact O-CB 3.46Å; E72-S76 PolarHBondContact O-N 2.86Å; E72-S76 PolarHBondContact O-OG 2.82Å; L73-S76 PolarHBondContact O-N 3.31Å; L74-S76 PolarHBondContact O-N 2.91Å; S76-F79 PolarHBondContact O-N 3.23Å; S76-Q80 WeakPolarHBondContact O-CB 3.33Å; S76-Q80 PolarHBondContact O-N 3.25Å |
| 77 | L | 89.5 | Confident | 88.8 | Confident | 92 Ų | 92 | 88.3 Ų | 88.3 | 48% | 0.482 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 177.3 | -177.7 | 65.4 | 0 | 0 | 0 | 111.8 | L73 L74 H75 F79 Q80 T81 | L73-L77 VanDerWaalsContact O-CB 3.31Å; L73-L77 WeakPolarHBondContact O-CB 3.46Å; L73-L77 PolarHBondContact O-N 3.4Å; L74-L77 PolarHBondContact O-N 2.88Å; H75-L77 VanDerWaalsContact C-N 3.32Å; H75-L77 PolarHBondContact O-N 2.78Å; L77-F79 VanDerWaalsContact C-N 3.35Å; L77-Q80 PolarHBondContact O-N 2.95Å; L77-T81 HydrophobicContact CD1-CG2 4.4Å; L77-T81 WeakPolarHBondContact O-CB 3.49Å; L77-T81 VanDerWaalsContact O-CG2 3.3Å; L77-T81 WeakPolarHBondContact O-CG2 3.43Å; L77-T81 PolarHBondContact O-N 2.91Å; L77-T81 PolarHBondContact O-OG1 2.85Å |
| 78 | V | 93.3 | Very high | 88.4 | Confident | 75 Ų | 75 | 85.5 Ų | 85.5 | 46% | 0.455 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 175.3 | 170.3 | 0 | 0 | 0 | 0 | 110.5 | L74 H75 T81 L82 | L74-V78 HydrophobicContact CD1-CG2 4.47Å; L74-V78 WeakPolarHBondContact O-CB 3.3Å; L74-V78 VanDerWaalsContact O-CG2 3.25Å; L74-V78 WeakPolarHBondContact O-CG2 3.48Å; L74-V78 PolarHBondContact O-N 3.44Å; H75-V78 PolarHBondContact O-N 3.43Å; V78-T81 WeakPolarHBondContact CA-OG1 3.35Å; V78-T81 PolarHBondContact O-N 2.99Å; V78-T81 PolarHBondContact O-OG1 3.45Å; V78-L82 VanDerWaalsContact O-CB 3.24Å; V78-L82 WeakPolarHBondContact O-CB 3.22Å; V78-L82 PolarHBondContact O-N 3.04Å |
| 79 | F | 90 | Very high | 88.1 | Confident | 116 Ų | 116 | 88.8 Ų | 88.8 | 51% | 0.509 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.1 | -40.9 | 176.8 | -87.8 | -86.3 | 0 | 0 | 0 | 112.4 | H75 S76 L77 L82 E83 | H75-F79 AromaticContact CD2-CE2 3.65Å; H75-F79 AromaticContact CE1-CD2 3.39Å; H75-F79 WeakPolarHBondContact CE1-CD2 3.48Å; H75-F79 AromaticContact CE1-CE2 3.25Å; H75-F79 WeakPolarHBondContact CE1-CE2 3.24Å; H75-F79 AromaticContact ND1-CD2 3.62Å; H75-F79 AromaticContact ND1-CE2 3.89Å; H75-F79 AromaticContact NE2-CD2 3.67Å; H75-F79 AromaticContact NE2-CE2 3.09Å; H75-F79 WeakPolarHBondContact NE2-CE2 3.39Å; H75-F79 AromaticContact NE2-CZ 3.95Å; H75-F79 VanDerWaalsContact O-CD2 3.28Å; H75-F79 WeakPolarHBondContact O-CD2 3.29Å; H75-F79 PolarHBondContact O-N 2.97Å; S76-F79 PolarHBondContact O-N 3.23Å; L77-F79 VanDerWaalsContact C-N 3.35Å; F79-L82 PolarHBondContact O-N 3.4Å; F79-E83 WeakPolarHBondContact O-CB 3.49Å; F79-E83 PolarHBondContact O-N 3.11Å |
| 80 | Q | 91.9 | Very high | 88.1 | Confident | 131 Ų | 131 | 91.5 Ų | 91.5 | 61% | 0.612 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -66.3 | -40 | 177.6 | -171 | 178.2 | 12.1 | 0 | 0 | 112.1 | S76 L77 E83 F84 | S76-Q80 WeakPolarHBondContact O-CB 3.33Å; S76-Q80 PolarHBondContact O-N 3.25Å; L77-Q80 PolarHBondContact O-N 2.95Å; Q80-E83 PolarHBondContact O-N 3.07Å; Q80-F84 WeakPolarHBondContact O-CB 3.39Å; Q80-F84 PolarHBondContact O-N 3.02Å |
| 81 | T | 90.9 | Very high | 87.8 | Confident | 65 Ų | 65 | 98 Ų | 98 | 40% | 0.399 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.7 | -39.3 | 175.1 | 50.4 | 0 | 0 | 0 | 0 | 111.6 | L77 V78 F84 I85 | L77-T81 HydrophobicContact CD1-CG2 4.4Å; L77-T81 WeakPolarHBondContact O-CB 3.49Å; L77-T81 VanDerWaalsContact O-CG2 3.3Å; L77-T81 WeakPolarHBondContact O-CG2 3.43Å; L77-T81 PolarHBondContact O-N 2.91Å; L77-T81 PolarHBondContact O-OG1 2.85Å; V78-T81 WeakPolarHBondContact CA-OG1 3.35Å; V78-T81 PolarHBondContact O-N 2.99Å; V78-T81 PolarHBondContact O-OG1 3.45Å; T81-F84 PolarHBondContact O-N 3.43Å; T81-I85 WeakPolarHBondContact O-CB 3.48Å; T81-I85 WeakPolarHBondContact O-CD1 3.25Å; T81-I85 WeakPolarHBondContact O-CG1 3.43Å; T81-I85 PolarHBondContact O-N 3.35Å |
| 82 | L | 92.4 | Very high | 87 | Confident | 99 Ų | 99 | 97.9 Ų | 97.9 | 52% | 0.518 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 173.7 | -172.4 | 149.2 | 0 | 0 | 0 | 111.6 | V78 F79 I85 S86 | V78-L82 VanDerWaalsContact O-CB 3.24Å; V78-L82 WeakPolarHBondContact O-CB 3.22Å; V78-L82 PolarHBondContact O-N 3.04Å; F79-L82 PolarHBondContact O-N 3.4Å; L82-I85 PolarHBondContact O-N 2.84Å; L82-S86 VanDerWaalsContact O-CB 3.29Å; L82-S86 WeakPolarHBondContact O-CB 3.38Å; L82-S86 PolarHBondContact O-N 3.21Å |
| 83 | E | 90.1 | Very high | 86.4 | Confident | 117 Ų | 117 | 101.2 Ų | 101.2 | 55% | 0.547 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.4 | -46.1 | 174.4 | -171.6 | 171.3 | -155.1 | 0 | 0 | 110.7 | F79 Q80 I85 S86 D87 | F79-E83 WeakPolarHBondContact O-CB 3.49Å; F79-E83 PolarHBondContact O-N 3.11Å; Q80-E83 PolarHBondContact O-N 3.07Å; E83-I85 PolarHBondContact O-N 2.99Å; E83-S86 PolarHBondContact O-N 3.36Å; E83-S86 VanDerWaalsContact O-N 3.16Å; E83-S86 PolarHBondContact O-OG 3.38Å; E83-D87 WeakPolarHBondContact O-CB 3.38Å; E83-D87 PolarHBondContact O-N 2.97Å |
| 84 | F | 90.4 | Very high | 85.8 | Confident | 139 Ų | 139 | 101.5 Ų | 101.5 | 61% | 0.61 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.3 | -44.2 | 175.9 | -176.3 | -98.3 | 0 | 0 | 0 | 112.4 | Q80 T81 D87 N88 | Q80-F84 WeakPolarHBondContact O-CB 3.39Å; Q80-F84 PolarHBondContact O-N 3.02Å; T81-F84 PolarHBondContact O-N 3.43Å; F84-D87 PolarHBondContact O-N 3.16Å; F84-N88 VanDerWaalsContact O-CB 3.26Å; F84-N88 WeakPolarHBondContact O-CB 3.31Å; F84-N88 PolarHBondContact O-N 3.32Å |
| 85 | I | 92.1 | Very high | 84.8 | Confident | 106 Ų | 106 | 99.7 Ų | 99.7 | 54% | 0.544 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 175.5 | -67.9 | 163.7 | 0 | 0 | 0 | 110.3 | T81 L82 E83 D87 N88 K89 | T81-I85 WeakPolarHBondContact O-CB 3.48Å; T81-I85 WeakPolarHBondContact O-CD1 3.25Å; T81-I85 WeakPolarHBondContact O-CG1 3.43Å; T81-I85 PolarHBondContact O-N 3.35Å; L82-I85 PolarHBondContact O-N 2.84Å; E83-I85 PolarHBondContact O-N 2.99Å; I85-D87 VanDerWaalsContact C-N 3.32Å; I85-D87 PolarHBondContact O-N 2.98Å; I85-N88 PolarHBondContact O-N 2.8Å; I85-K89 WeakPolarHBondContact O-CB 3.4Å; I85-K89 PolarHBondContact O-N 3.37Å |
| 86 | S | 87.1 | Confident | 83.4 | Confident | 39 Ų | 39 | 97.7 Ų | 97.7 | 27% | 0.273 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.8 | -38.2 | 178.9 | 85.2 | 0 | 0 | 0 | 0 | 112.2 | L82 E83 K89 K90 | L82-S86 VanDerWaalsContact O-CB 3.29Å; L82-S86 WeakPolarHBondContact O-CB 3.38Å; L82-S86 PolarHBondContact O-N 3.21Å; E83-S86 PolarHBondContact O-N 3.36Å; E83-S86 VanDerWaalsContact O-N 3.16Å; E83-S86 PolarHBondContact O-OG 3.38Å; S86-K89 PolarHBondContact O-N 2.91Å; S86-K90 WeakPolarHBondContact O-CG 3.4Å; S86-K90 PolarHBondContact O-N 3.46Å |
| 87 | D | 86.4 | Confident | 81.9 | Confident | 53 Ų | 53 | 98.7 Ų | 98.7 | 28% | 0.283 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -77 | -34.4 | 179.1 | -79.4 | -7.3 | 0 | 0 | 0 | 111.6 | E83 F84 I85 K89 K90 R91 | E83-D87 WeakPolarHBondContact O-CB 3.38Å; E83-D87 PolarHBondContact O-N 2.97Å; F84-D87 PolarHBondContact O-N 3.16Å; I85-D87 VanDerWaalsContact C-N 3.32Å; I85-D87 PolarHBondContact O-N 2.98Å; D87-K89 VanDerWaalsContact C-N 3.31Å; D87-K90 PolarHBondContact O-N 2.84Å; D87-K90 IonicContact OD1-NZ 2.82Å; D87-K90 PolarHBondContact OD1-NZ 3.47Å; D87-R91 WeakPolarHBondContact O-CB 3.42Å; D87-R91 WeakPolarHBondContact O-CG 3.3Å; D87-R91 PolarHBondContact O-N 2.87Å |
| 88 | N | 78.9 | Confident | 80.3 | Confident | 92 Ų | 92 | 102.4 Ų | 102.4 | 49% | 0.492 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67 | -34.7 | 171 | -152.5 | 12.5 | 0 | 0 | 0 | 111.3 | F84 I85 R91 S92 | F84-N88 VanDerWaalsContact O-CB 3.26Å; F84-N88 WeakPolarHBondContact O-CB 3.31Å; F84-N88 PolarHBondContact O-N 3.32Å; I85-N88 PolarHBondContact O-N 2.8Å; N88-R91 PolarHBondContact O-N 3.37Å; N88-S92 WeakPolarHBondContact O-CB 3.47Å; N88-S92 PolarHBondContact O-N 2.94Å; N88-S92 PolarHBondContact O-OG 2.88Å |
| 89 | K | 81.7 | Confident | 78.3 | Confident | 124 Ų | 124 | 106.4 Ų | 106.4 | 54% | 0.539 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 170.3 | -172 | 172 | -177.3 | 168.8 | 0 | 112.2 | I85 S86 D87 S92 R93 | I85-K89 WeakPolarHBondContact O-CB 3.4Å; I85-K89 PolarHBondContact O-N 3.37Å; S86-K89 PolarHBondContact O-N 2.91Å; D87-K89 VanDerWaalsContact C-N 3.31Å; K89-S92 WeakPolarHBondContact CA-OG 3.36Å; K89-S92 PolarHBondContact O-OG 2.87Å; K89-R93 VanDerWaalsContact O-CB 3.23Å; K89-R93 WeakPolarHBondContact O-CB 3.38Å; K89-R93 PolarHBondContact O-N 2.69Å |
| 90 | K | 82.3 | Confident | 76.1 | Confident | 129 Ų | 129 | 104.2 Ų | 104.2 | 56% | 0.561 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.4 | -41.3 | 173.9 | -70.2 | 170.1 | -155 | 151.4 | 0 | 111.7 | S86 D87 A94 | S86-K90 WeakPolarHBondContact O-CG 3.4Å; S86-K90 PolarHBondContact O-N 3.46Å; D87-K90 PolarHBondContact O-N 2.84Å; D87-K90 IonicContact OD1-NZ 2.82Å; D87-K90 PolarHBondContact OD1-NZ 3.47Å; K90-A94 VanDerWaalsContact O-CB 3.27Å; K90-A94 WeakPolarHBondContact O-CB 3.25Å; K90-A94 PolarHBondContact O-N 2.94Å |
| 91 | R | 79.8 | Confident | 73.9 | Confident | 177 Ų | 177 | 103.3 Ų | 103.3 | 67% | 0.668 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -68.4 | -42.4 | 178.2 | -75.3 | 176.6 | -175.9 | 171.2 | 4 | 112.5 | D87 N88 A94 A95 | D87-R91 WeakPolarHBondContact O-CB 3.42Å; D87-R91 WeakPolarHBondContact O-CG 3.3Å; D87-R91 PolarHBondContact O-N 2.87Å; N88-R91 PolarHBondContact O-N 3.37Å; R91-A94 PolarHBondContact O-N 3.05Å; R91-A95 WeakPolarHBondContact O-CB 3.3Å; R91-A95 PolarHBondContact O-N 3.31Å |
| 92 | S | 71.9 | Confident | 71.6 | Confident | 67 Ų | 67 | 104.9 Ų | 104.9 | 47% | 0.469 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.3 | -40.8 | 174.3 | 54.4 | 0 | 0 | 0 | 0 | 112 | N88 K89 A95 A96 | N88-S92 WeakPolarHBondContact O-CB 3.47Å; N88-S92 PolarHBondContact O-N 2.94Å; N88-S92 PolarHBondContact O-OG 2.88Å; K89-S92 WeakPolarHBondContact CA-OG 3.36Å; K89-S92 PolarHBondContact O-OG 2.87Å; S92-A95 PolarHBondContact O-N 2.84Å; S92-A96 WeakPolarHBondContact O-CB 3.33Å; S92-A96 PolarHBondContact O-N 3.48Å |
| 93 | R | 75 | Confident | 69.2 | Low | 195 Ų | 195 | 104.7 Ų | 104.7 | 74% | 0.736 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.3 | -35.8 | 175.1 | -159.1 | 173.6 | -172.2 | 172.9 | 3.4 | 112.7 | K89 A97 | K89-R93 VanDerWaalsContact O-CB 3.23Å; K89-R93 WeakPolarHBondContact O-CB 3.38Å; K89-R93 PolarHBondContact O-N 2.69Å; R93-A97 PolarHBondContact O-N 3.4Å; R93-A97 VanDerWaalsContact O-N 3.13Å |
| 94 | A | 70.4 | Confident | 66.9 | Low | 49 Ų | 49 | 104 Ų | 104 | 41% | 0.405 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -68.8 | -39 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K90 R91 A97 Q98 | K90-A94 VanDerWaalsContact O-CB 3.27Å; K90-A94 WeakPolarHBondContact O-CB 3.25Å; K90-A94 PolarHBondContact O-N 2.94Å; R91-A94 PolarHBondContact O-N 3.05Å; A94-A97 PolarHBondContact O-N 3.13Å; A94-Q98 PolarHBondContact O-N 3.1Å; A94-Q98 PolarHBondContact O-OE1 3.5Å |
| 95 | A | 66.5 | Low | 64.5 | Low | 54 Ų | 54 | 104.6 Ų | 104.6 | 45% | 0.446 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -66.9 | -39.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | R91 S92 A97 Q98 Q99 | R91-A95 WeakPolarHBondContact O-CB 3.3Å; R91-A95 PolarHBondContact O-N 3.31Å; S92-A95 PolarHBondContact O-N 2.84Å; A95-A97 VanDerWaalsContact C-N 3.3Å; A95-A97 PolarHBondContact O-N 3.16Å; A95-Q98 PolarHBondContact O-N 2.97Å; A95-Q99 PolarHBondContact O-N 2.88Å |
| 96 | A | 60.7 | Low | 62.3 | Low | 67 Ų | 67 | 108.6 Ų | 108.6 | 55% | 0.554 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -67.4 | -27.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S92 Q98 Q99 | S92-A96 WeakPolarHBondContact O-CB 3.33Å; S92-A96 PolarHBondContact O-N 3.48Å; A96-Q98 VanDerWaalsContact C-N 3.31Å; A96-Q99 VanDerWaalsContact O-O 3.09Å |
| 97 | A | 58.1 | Low | 60.1 | Low | 87 Ų | 87 | 111.6 Ų | 111.6 | 72% | 0.719 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -76.9 | -16.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R93 A94 A95 | R93-A97 PolarHBondContact O-N 3.4Å; R93-A97 VanDerWaalsContact O-N 3.13Å; A94-A97 PolarHBondContact O-N 3.13Å; A95-A97 VanDerWaalsContact C-N 3.3Å; A95-A97 PolarHBondContact O-N 3.16Å |
| 98 | Q | 56.5 | Low | 58 | Low | 169 Ų | 169 | 117.7 Ų | 117.7 | 79% | 0.79 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -97.8 | -10.9 | 178.6 | -101.2 | 149.7 | -23.7 | 0 | 0 | 114.1 | A94 A95 A96 | A94-Q98 PolarHBondContact O-N 3.1Å; A94-Q98 PolarHBondContact O-OE1 3.5Å; A95-Q98 PolarHBondContact O-N 2.97Å; A96-Q98 VanDerWaalsContact C-N 3.31Å |
| 99 | Q | 50 | Low | 56.1 | Low | 159 Ų | 159 | 121.8 Ų | 121.8 | 74% | 0.743 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -107.1 | 107.2 | 168.5 | -77.7 | 166.7 | -3.5 | 0 | 0 | 108.3 | A95 A96 | A95-Q99 PolarHBondContact O-N 2.88Å; A96-Q99 VanDerWaalsContact O-O 3.09Å |
| 100 | G | 44.8 | Very low | 54.2 | Low | 71 Ų | 71 | 123.3 Ų | 123.3 | 73% | 0.732 | 71% | 0.71 | S | S | * | * | trans | -51.3 | 142 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A102 | G100-A102 PolarHBondContact O-N 3.38Å; G100-A102 VanDerWaalsContact O-N 3.08Å | ||
| 101 | A | 46.4 | Very low | 52.2 | Low | 112 Ų | 112 | 120.5 Ų | 120.5 | 93% | 0.926 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -22.7 | 97 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 102 | A | 42.6 | Very low | 50.5 | Low | 97 Ų | 97 | 119.7 Ų | 119.7 | 80% | 0.802 | 72% | 0.715 | S | S | * | * | trans | -162.9 | 55.3 | 161.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G100 | G100-A102 PolarHBondContact O-N 3.38Å; G100-A102 VanDerWaalsContact O-N 3.08Å | ||
| 103 | A | 41.5 | Very low | 49.2 | Very low | 95 Ų | 95 | 123.3 Ų | 123.3 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | trans | -175.6 | 74.1 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 104 | A | 41 | Very low | 47.9 | Very low | 102 Ų | 102 | 119.4 Ų | 119.4 | 84% | 0.843 | 72% | 0.722 | S | S | * | * | trans | -111.3 | 51.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 105 | D | 41.3 | Very low | 46.5 | Very low | 152 Ų | 152 | 120.3 Ų | 120.3 | 81% | 0.813 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -144.3 | 19.3 | -179.9 | -154.1 | 30.5 | 0 | 0 | 0 | 115.8 | ||
| 106 | Q | 44.4 | Very low | 45.8 | Very low | 190 Ų | 190 | 123.1 Ų | 123.1 | 89% | 0.888 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -141.1 | 13.9 | 178.1 | -66.9 | -170.5 | 1.3 | 0 | 0 | 116 | ||
| 107 | T | 41.8 | Very low | 44.8 | Very low | 103 Ų | 103 | 128.4 Ų | 128.4 | 63% | 0.632 | 75% | 0.752 | S | S | * | * | trans | -113.6 | 13.4 | -171.5 | 5.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 108 | E | 42.1 | Very low | 44.2 | Very low | 180 Ų | 180 | 128.9 Ų | 128.9 | 84% | 0.841 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -86.6 | -16.3 | 179.8 | -64.7 | -169 | 163.6 | 0 | 0 | 113.8 | ||
| 109 | Q | 38.8 | Very low | 43.7 | Very low | 179 Ų | 179 | 126.9 Ų | 126.9 | 84% | 0.836 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -90.7 | -14.3 | -175.5 | -97.6 | 159.2 | -26.1 | 0 | 0 | 116.2 | ||
| 110 | E | 41.5 | Very low | 43.2 | Very low | 156 Ų | 156 | 126.9 Ų | 126.9 | 73% | 0.729 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -97.5 | -4.6 | 179.1 | -67.9 | -173.6 | 164.9 | 0 | 0 | 113.6 | ||
| 111 | A | 40.8 | Very low | 43 | Very low | 70 Ų | 70 | 132.7 Ų | 132.7 | 58% | 0.579 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -81.3 | -24.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 112 | E | 44.9 | Very low | 42.5 | Very low | 159 Ų | 159 | 135 Ų | 135 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -78 | -32.6 | -175.4 | -69.2 | -171.2 | 153.2 | 0 | 0 | 113.2 | L114 | E112-L114 VanDerWaalsContact C-N 3.27Å; E112-L114 PolarHBondContact O-N 3.02Å |
| 113 | D | 43.2 | Very low | 42.1 | Very low | 144 Ų | 144 | 138.1 Ų | 138.1 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -13.6 | -177.4 | -91.7 | -11.5 | 0 | 0 | 0 | 114.3 | ||
| 114 | L | 47.5 | Very low | 42 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 59% | 0.586 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | 0.2 | -175.6 | -97.3 | 128.8 | 0 | 0 | 0 | 115 | E112 V116 | E112-L114 VanDerWaalsContact C-N 3.27Å; E112-L114 PolarHBondContact O-N 3.02Å; L114-V116 PolarHBondContact O-N 3.29Å |
| 115 | A | 42.9 | Very low | 41.8 | Very low | 68 Ų | 68 | 143.3 Ų | 143.3 | 56% | 0.562 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -73.3 | -6.4 | 173 | 0 | 0 | 0 | 0 | 0 | 113.5 | F117 T118 | A115-F117 VanDerWaalsContact C-N 3.3Å; A115-F117 PolarHBondContact O-N 3.3Å; A115-T118 PolarHBondContact O-OG1 3.33Å |
| 116 | V | 50.5 | Low | 41.4 | Very low | 114 Ų | 114 | 141 Ų | 141 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -72.7 | -16.5 | -176.7 | 177.6 | 0 | 0 | 0 | 0 | 113.7 | L114 | L114-V116 PolarHBondContact O-N 3.29Š|
| 117 | F | 39.6 | Very low | 40.7 | Very low | 177 Ų | 177 | 139 Ų | 139 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -110.5 | 13.9 | -172.7 | -75.3 | -78.6 | 0 | 0 | 0 | 116 | A115 | A115-F117 VanDerWaalsContact C-N 3.3Å; A115-F117 PolarHBondContact O-N 3.3Å |
| 118 | T | 46.1 | Very low | 40.2 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 60% | 0.601 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -98.1 | 121.3 | 171.8 | 42.7 | 0 | 0 | 0 | 0 | 111.2 | A115 L120 | A115-T118 PolarHBondContact O-OG1 3.33Å; T118-L120 PolarHBondContact O-N 2.96Å |
| 119 | P | 45.4 | Very low | 40.2 | Very low | 127 Ų | 127 | 136.4 Ų | 136.4 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -63 | 120.6 | 172.8 | -18.3 | 30.8 | 0 | 0 | 0 | 110.3 | ||
| 120 | L | 39.2 | Very low | 39.8 | Very low | 159 Ų | 159 | 139.9 Ų | 139.9 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 117.9 | 174.9 | -80 | 147.6 | 0 | 0 | 0 | 109.5 | T118 | T118-L120 PolarHBondContact O-N 2.96Š|
| 121 | E | 41.6 | Very low | 39.5 | Very low | 193 Ų | 193 | 138.5 Ų | 138.5 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 121.1 | 162 | -68.6 | -176.4 | 159.8 | 0 | 0 | 107.6 | ||
| 122 | L | 36.8 | Very low | 39 | Very low | 159 Ų | 159 | 143.5 Ų | 143.5 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | -89.2 | 115.7 | 178.8 | -73 | 161.2 | 0 | 0 | 0 | 108.8 | E124 | L122-E124 PolarHBondContact O-N 3.21Š| ||
| 123 | D | 32.3 | Very low | 39.1 | Very low | 164 Ų | 164 | 140 Ų | 140 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | trans | -78 | 112.9 | 168.3 | -91 | -27.3 | 0 | 0 | 0 | 109.6 | ||||
| 124 | E | 40.5 | Very low | 39 | Very low | 193 Ų | 193 | 141.5 Ų | 141.5 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | trans | -85.1 | 105.8 | 169.1 | -70.5 | -176.9 | 154.1 | 0 | 0 | 109.5 | L122 | L122-E124 PolarHBondContact O-N 3.21Š| ||
| 125 | S | 36.3 | Very low | 38.5 | Very low | 113 Ų | 113 | 142 Ų | 142 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | -153.2 | 143.9 | 160.7 | 55.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 126 | A | 32.9 | Very low | 38.5 | Very low | 103 Ų | 103 | 147.2 Ų | 147.2 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | 91.7 | 83.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 127 | T | 30 | Very low | 37.9 | Very low | 149 Ų | 149 | 148.4 Ų | 148.4 | 91% | 0.914 | 81% | 0.808 | S | S | * | * | trans | -87.9 | 132 | 151.4 | -38.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 128 | S | 31.9 | Very low | 38.3 | Very low | 106 Ų | 106 | 145.3 Ų | 145.3 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | trans | -108.4 | 148.1 | 168.8 | 63.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 129 | P | 41.8 | Very low | 38.1 | Very low | 122 Ų | 122 | 145.8 Ų | 145.8 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | trans | -96.7 | 127.7 | -177.3 | 34.7 | -27.5 | 0 | 0 | 0 | 110.8 | ||||
| 130 | R | 30.1 | Very low | 38.1 | Very low | 252 Ų | 252 | 145.2 Ų | 145.2 | 95% | 0.951 | 80% | 0.804 | S | S | * | * | trans | -142.9 | 113.4 | 156.3 | -78.5 | -164.4 | 166.3 | 163.5 | -3.9 | 110.9 | ||||
| 131 | T | 34.4 | Very low | 38.6 | Very low | 127 Ų | 127 | 143.2 Ų | 143.2 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | trans | -70.5 | 132.4 | 165.1 | -55.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 132 | E | 31.3 | Very low | 38.9 | Very low | 175 Ų | 175 | 140.4 Ų | 140.4 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -163 | 149.9 | 133.6 | -84.2 | -44.9 | 136.1 | 0 | 0 | 108.7 | ||||
| 133 | P | 46.8 | Very low | 39.5 | Very low | 85 Ų | 85 | 136.4 Ų | 136.4 | 55% | 0.552 | 78% | 0.775 | S | S | * | * | trans | -100.7 | 164.4 | -157.3 | 38.2 | -35 | 0 | 0 | 0 | 115.5 | ||||
| 134 | H | 41.3 | Very low | 40.8 | Very low | 175 Ų | 175 | 132.8 Ų | 132.8 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | trans | 89.3 | 78.9 | 163 | -51.3 | -61.6 | 0 | 0 | 0 | 118.3 | ||||
| 135 | T | 37 | Very low | 41.4 | Very low | 122 Ų | 122 | 129.7 Ų | 129.7 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -147.3 | 140.7 | 141.9 | -11.2 | 0 | 0 | 0 | 0 | 107.1 | I137 | T135-I137 WeakPolarHBondContact O-CG1 3.37Å; T135-I137 PolarHBondContact O-N 3.42Å |
| 136 | D | 43.2 | Very low | 42.3 | Very low | 179 Ų | 179 | 127.5 Ų | 127.5 | 96% | 0.957 | 74% | 0.735 | S | S | * | * | trans | -63.9 | 95.5 | 179.7 | -74.6 | -34.4 | 0 | 0 | 0 | 110.2 | ||||
| 137 | I | 37.2 | Very low | 43.3 | Very low | 138 Ų | 138 | 128.6 Ų | 128.6 | 71% | 0.708 | 73% | 0.725 | S | S | * | * | trans | -84.7 | 118.6 | 177.1 | -65 | 155.8 | 0 | 0 | 0 | 107.1 | T135 V139 | T135-I137 WeakPolarHBondContact O-CG1 3.37Å; T135-I137 PolarHBondContact O-N 3.42Å; I137-V139 VanDerWaalsContact C-N 3.34Å; I137-V139 PolarHBondContact O-N 2.89Å | ||
| 138 | S | 49.2 | Very low | 44.9 | Very low | 113 Ų | 113 | 125.7 Ų | 125.7 | 79% | 0.79 | 70% | 0.704 | S | S | * | * | trans | -59.5 | 98.1 | 163.3 | 173.7 | 0 | 0 | 0 | 0 | 108.4 | V140 | S138-V140 PolarHBondContact O-N 3.21Å; S138-V140 VanDerWaalsContact O-N 3.08Å | ||
| 139 | V | 41.7 | Very low | 46.1 | Very low | 108 Ų | 108 | 126 Ų | 126 | 66% | 0.655 | 70% | 0.703 | S | S | * | * | trans | -66.7 | 108.4 | 180 | -176.5 | 0 | 0 | 0 | 0 | 108.1 | I137 | I137-V139 VanDerWaalsContact C-N 3.34Å; I137-V139 PolarHBondContact O-N 2.89Å | ||
| 140 | V | 44.5 | Very low | 46.9 | Very low | 114 Ų | 114 | 122.3 Ų | 122.3 | 69% | 0.691 | 68% | 0.679 | S | S | * | * | trans | -58.9 | 125.6 | 165.7 | 177.7 | 0 | 0 | 0 | 0 | 106.7 | S138 L142 | S138-V140 PolarHBondContact O-N 3.21Å; S138-V140 VanDerWaalsContact O-N 3.08Å; V140-L142 PolarHBondContact O-N 2.82Å | ||
| 141 | P | 50.2 | Low | 48.2 | Very low | 118 Ų | 118 | 117 Ų | 117 | 77% | 0.766 | 67% | 0.665 | S | S | * | * | trans | -59.1 | 110.9 | 179.3 | 20 | -28.8 | 0 | 0 | 0 | 108.7 | ||||
| 142 | L | 48.1 | Very low | 49.4 | Very low | 134 Ų | 134 | 116.2 Ų | 116.2 | 70% | 0.702 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 142.6 | 174 | -80.1 | 110.1 | 0 | 0 | 0 | 108.8 | V140 | V140-L142 PolarHBondContact O-N 2.82Š|
| 143 | P | 48.9 | Very low | 50.7 | Low | 75 Ų | 75 | 115 Ų | 115 | 49% | 0.487 | 66% | 0.655 | S | S | . | * | P | Polyproline II helix | trans | -55.2 | 139.4 | 171.9 | 24.3 | -32.4 | 0 | 0 | 0 | 108.8 | E145 L147 | P143-E145 PolarHBondContact O-N 2.91Å; P143-L147 HydrophobicContact CB-CB 4.5Å; P143-L147 HydrophobicContact CB-CD1 4.37Å |
| 144 | P | 59.3 | Low | 51.3 | Low | 87 Ų | 87 | 114 Ų | 114 | 57% | 0.565 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 136.1 | 179.6 | 20.2 | -31.8 | 0 | 0 | 0 | 109.3 | A146 L147 | P144-A146 PolarHBondContact O-N 2.96Å; P144-L147 HydrophobicContact CG-CD1 3.96Å; P144-L147 HydrophobicContact CG-CG 4.24Å; P144-L147 PolarHBondContact O-N 2.85Å |
| 145 | E | 53.8 | Low | 52.1 | Low | 129 Ų | 129 | 109 Ų | 109 | 60% | 0.603 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -51 | -21.8 | -173.6 | -162.8 | 177.2 | 166.4 | 0 | 0 | 113.6 | P143 L147 I148 A194 | P143-E145 PolarHBondContact O-N 2.91Å; E145-L147 PolarHBondContact O-N 3.03Å; E145-I148 PolarHBondContact O-N 3.31Å; E145-I148 VanDerWaalsContact O-N 3.16Å; E145-A194 HydrophobicContact CB-CB 4.48Å; E145-A194 VanDerWaalsContact CD-CB 3.45Å; E145-A194 HydrophobicContact CG-CB 4.28Å; E145-A194 WeakPolarHBondContact OE2-CB 3.43Å |
| 146 | A | 55.1 | Low | 53.1 | Low | 66 Ų | 66 | 109.3 Ų | 109.3 | 55% | 0.545 | 62% | 0.616 | S | S | . | * | G | 310 helix | trans | -63.6 | -15.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | P144 R175 | P144-A146 PolarHBondContact O-N 2.96Å; A146-R175 VanDerWaalsContact CB-NH2 3.3Å |
| 147 | L | 53 | Low | 54 | Low | 126 Ų | 126 | 107.5 Ų | 107.5 | 66% | 0.66 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -99.4 | -4.8 | 176.9 | -62.9 | 178.5 | 0 | 0 | 0 | 112.5 | P143 P144 E145 | P143-L147 HydrophobicContact CB-CB 4.5Å; P143-L147 HydrophobicContact CB-CD1 4.37Å; P144-L147 HydrophobicContact CG-CD1 3.96Å; P144-L147 HydrophobicContact CG-CG 4.24Å; P144-L147 PolarHBondContact O-N 2.85Å; E145-L147 PolarHBondContact O-N 3.03Å |
| 148 | I | 64.6 | Low | 55.2 | Low | 89 Ų | 89 | 105 Ų | 105 | 46% | 0.456 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -93 | 118.1 | 175.8 | -55.5 | 175.8 | 0 | 0 | 0 | 107 | E145 P150 | E145-I148 PolarHBondContact O-N 3.31Å; E145-I148 VanDerWaalsContact O-N 3.16Å; I148-P150 WeakPolarHBondContact O-CD 3.19Å |
| 149 | P | 57.1 | Low | 56.3 | Low | 112 Ų | 112 | 102.6 Ų | 102.6 | 73% | 0.727 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 123.7 | 177.2 | -20.6 | 31.5 | 0 | 0 | 0 | 109.9 | E151 | P149-E151 PolarHBondContact O-N 2.63Š|
| 150 | P | 58.2 | Low | 57.7 | Low | 44 Ų | 44 | 100.4 Ų | 100.4 | 29% | 0.286 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -67.1 | 136.5 | -179 | 19.9 | -26 | 0 | 0 | 0 | 110.9 | I148 K155 | I148-P150 WeakPolarHBondContact O-CD 3.19Å; P150-K155 WeakPolarHBondContact O-CE 3.29Å |
| 151 | E | 58.5 | Low | 59.2 | Low | 140 Ų | 140 | 99.8 Ų | 99.8 | 65% | 0.654 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 142.9 | 178.6 | -70.7 | -177 | 171 | 0 | 0 | 111.4 | P149 Q153 E154 K155 | P149-E151 PolarHBondContact O-N 2.63Å; E151-Q153 PolarHBondContact O-N 2.89Å; E151-E154 HydrophobicContact CB-CG 4.48Å; E151-E154 PolarHBondContact O-N 3.44Å; E151-K155 PolarHBondContact O-N 3.3Å |
| 152 | T | 59.5 | Low | 60.3 | Low | 111 Ų | 111 | 96.2 Ų | 96.2 | 68% | 0.681 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -57.4 | -26.8 | -174.1 | 49.9 | 0 | 0 | 0 | 0 | 113.6 | N156 | T152-N156 PolarHBondContact O-ND2 3.27Å |
| 153 | Q | 58 | Low | 61.6 | Low | 151 Ų | 151 | 97.6 Ų | 97.6 | 71% | 0.706 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -75.8 | -29.3 | 177.5 | -58.4 | -172.9 | 17.4 | 0 | 0 | 113 | E151 | E151-Q153 PolarHBondContact O-N 2.89Å |
| 154 | E | 59.4 | Low | 62.6 | Low | 64 Ų | 64 | 97.1 Ų | 97.1 | 30% | 0.299 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -77.3 | -29.3 | 177.9 | -62 | -150.6 | 133.6 | 0 | 0 | 112.8 | E151 N156 K157 K172 | E151-E154 HydrophobicContact CB-CG 4.48Å; E151-E154 PolarHBondContact O-N 3.44Å; E154-N156 PolarHBondContact O-N 2.92Å; E154-K157 PolarHBondContact O-N 3.2Å; E154-K157 IonicContact OE1-NZ 3.91Å; E154-K172 IonicContact OE1-NZ 3.6Å; E154-K172 IonicContact OE2-NZ 2.63Å; E154-K172 PolarHBondContact OE2-NZ 3.5Å |
| 155 | K | 58.2 | Low | 63.2 | Low | 68 Ų | 68 | 95.7 Ų | 95.7 | 30% | 0.296 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.2 | -29.7 | 176.1 | -67.9 | -170.9 | 172.8 | -156.5 | 0 | 112.4 | P150 E151 K157 S170 D173 | P150-K155 WeakPolarHBondContact O-CE 3.29Å; E151-K155 PolarHBondContact O-N 3.3Å; K155-K157 VanDerWaalsContact C-N 3.32Å; K155-K157 PolarHBondContact O-N 3.3Å; K155-S170 WeakPolarHBondContact CA-OG 3.41Å; K155-S170 WeakPolarHBondContact O-CB 3.31Å; K155-S170 PolarHBondContact O-OG 3.22Å; K155-D173 WeakPolarHBondContact CE-OD1 3.41Å; K155-D173 IonicContact NZ-OD1 3.95Å; K155-D173 PolarHBondContact NZ-OD1 3.33Å; K155-D173 VanDerWaalsContact NZ-OD1 3.08Å |
| 156 | N | 57.5 | Low | 64.3 | Low | 130 Ų | 130 | 95.9 Ų | 95.9 | 70% | 0.695 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -9.1 | -177.3 | -62.3 | -19 | 0 | 0 | 0 | 113.9 | T152 E154 | T152-N156 PolarHBondContact O-ND2 3.27Å; E154-N156 PolarHBondContact O-N 2.92Å |
| 157 | K | 61.2 | Low | 65.3 | Low | 141 Ų | 141 | 97.5 Ų | 97.5 | 61% | 0.613 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -25.8 | -176.2 | -66.6 | 178.2 | -178.3 | 170.8 | 0 | 113 | E154 K155 | E154-K157 PolarHBondContact O-N 3.2Å; E154-K157 IonicContact OE1-NZ 3.91Å; K155-K157 VanDerWaalsContact C-N 3.32Å; K155-K157 PolarHBondContact O-N 3.3Å |
| 158 | L | 64.2 | Low | 66.1 | Low | 86 Ų | 86 | 97 Ų | 97 | 45% | 0.45 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -142.4 | 80.2 | -178.5 | -66.6 | 171 | 0 | 0 | 0 | 110.9 | Q171 | L158-Q171 HydrophobicContact CB-CB 4.03Å; L158-Q171 PolarHBondContact O-N 2.91Å |
| 159 | P | 71.9 | Confident | 66.2 | Low | 61 Ų | 61 | 94.5 Ų | 94.5 | 40% | 0.396 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 130.3 | 177.3 | 28.9 | -31.9 | 0 | 0 | 0 | 111.2 | I161 V167 | P159-I161 HydrophobicContact CB-CG1 4.48Å; P159-V167 HydrophobicContact CB-CG1 3.55Å; P159-V167 HydrophobicContact CB-CG2 4.16Å |
| 160 | L | 71.2 | Confident | 66.9 | Low | 63 Ų | 63 | 89.5 Ų | 89.5 | 33% | 0.33 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 123.8 | 164.4 | -64.5 | 176.8 | 0 | 0 | 0 | 108.5 | L168 C169 Q171 F174 | L160-L168 PolarHBondContact O-N 3.21Å; L160-C169 WeakPolarHBondContact CB-O 3.22Å; L160-C169 PolarHBondContact N-O 2.81Å; L160-Q171 HydrophobicContact CD2-CB 4.18Å; L160-Q171 HydrophobicContact CD2-CG 4.43Å; L160-Q171 HydrophobicContact CG-CB 4.22Å; L160-F174 HydrophobicContact CD1-CD2 3.79Å; L160-F174 HydrophobicContact CD1-CE2 4.05Å |
| 161 | I | 76.3 | Confident | 67.3 | Low | 101 Ų | 101 | 89.5 Ų | 89.5 | 52% | 0.518 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 133.8 | -173.4 | -45.6 | -179.8 | 0 | 0 | 0 | 108.5 | P159 G165 E166 V167 | P159-I161 HydrophobicContact CB-CG1 4.48Å; I161-G165 WeakPolarHBondContact CG2-O 3.35Å; I161-E166 CarbonylContact C-O 3.55Å; I161-E166 WeakPolarHBondContact CA-O 3.49Å; I161-E166 WeakPolarHBondContact CG2-O 3.26Å; I161-V167 HydrophobicContact CG1-CG2 4.37Å |
| 162 | S | 72.8 | Confident | 67.7 | Low | 43 Ų | 43 | 87.5 Ų | 87.5 | 30% | 0.301 | 49% | 0.489 | S | S | . | . | trans | -59.5 | 155.9 | 169.4 | -178.8 | 0 | 0 | 0 | 0 | 110.6 | G164 G165 E166 | S162-G164 PolarHBondContact O-N 3.47Å; S162-G164 PolarHBondContact OG-N 3.39Å; S162-G165 PolarHBondContact O-N 3.28Å; S162-E166 WeakPolarHBondContact CB-O 3.49Å; S162-E166 PolarHBondContact N-O 3.45Å | ||
| 163 | V | 74.8 | Confident | 68.1 | Low | 163 Ų | 163 | 85.6 Ų | 85.6 | 99% | 0.988 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -23 | 171.2 | -173.9 | 0 | 0 | 0 | 0 | 111.4 | G165 | V163-G165 VanDerWaalsContact C-N 3.34Š|
| 164 | G | 70.8 | Confident | 68.5 | Low | 65 Ų | 65 | 83.4 Ų | 83.4 | 67% | 0.67 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | 4.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | S162 | S162-G164 PolarHBondContact O-N 3.47Å; S162-G164 PolarHBondContact OG-N 3.39Å |
| 165 | G | 72.1 | Confident | 68.7 | Low | 56 Ų | 56 | 89.3 Ų | 89.3 | 58% | 0.577 | 48% | 0.483 | S | S | * | . | S | Bend | trans | 84.7 | 1.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | I161 S162 V163 | I161-G165 WeakPolarHBondContact CG2-O 3.35Å; S162-G165 PolarHBondContact O-N 3.28Å; V163-G165 VanDerWaalsContact C-N 3.34Å |
| 166 | E | 76.9 | Confident | 68.9 | Low | 133 Ų | 133 | 89 Ų | 89 | 62% | 0.621 | 49% | 0.486 | S | S | * | . | trans | -84.3 | 133.9 | 178 | -62.8 | 177.4 | 173.4 | 0 | 0 | 111.4 | I161 S162 L168 | I161-E166 CarbonylContact C-O 3.55Å; I161-E166 WeakPolarHBondContact CA-O 3.49Å; I161-E166 WeakPolarHBondContact CG2-O 3.26Å; S162-E166 WeakPolarHBondContact CB-O 3.49Å; S162-E166 PolarHBondContact N-O 3.45Å; E166-L168 PolarHBondContact O-N 3.3Å | ||
| 167 | V | 75.2 | Confident | 69.3 | Low | 100 Ų | 100 | 86 Ų | 86 | 61% | 0.606 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 112.2 | 175.9 | 178.5 | 0 | 0 | 0 | 0 | 109.2 | P159 I161 | P159-V167 HydrophobicContact CB-CG1 3.55Å; P159-V167 HydrophobicContact CB-CG2 4.16Å; I161-V167 HydrophobicContact CG1-CG2 4.37Å |
| 168 | L | 69 | Low | 69.1 | Low | 116 Ų | 116 | 81.9 Ų | 81.9 | 61% | 0.607 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -41.7 | -175.9 | -65.9 | 175.2 | 0 | 0 | 0 | 112.1 | L160 E166 | L160-L168 PolarHBondContact O-N 3.21Å; E166-L168 PolarHBondContact O-N 3.3Å |
| 169 | C | 66.6 | Low | 69.2 | Low | 37 Ų | 37 | 84.5 Ų | 84.5 | 25% | 0.25 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.9 | 169.9 | -170.4 | 45.1 | 0 | 0 | 0 | 0 | 112.2 | L160 F174 | L160-C169 WeakPolarHBondContact CB-O 3.22Å; L160-C169 PolarHBondContact N-O 2.81Å; C169-F174 HydrophobicContact CB-CE2 3.6Å; C169-F174 HydrophobicContact CB-CZ 4.05Å; C169-F174 WeakPolarHBondContact SG-CE2 3.09Å |
| 170 | S | 72.6 | Confident | 68.7 | Low | 6 Ų | 6 | 85.1 Ų | 85.1 | 4% | 0.042 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 145.1 | 172.2 | -171.7 | 0 | 0 | 0 | 0 | 110.9 | K155 K172 D173 | K155-S170 WeakPolarHBondContact CA-OG 3.41Å; K155-S170 WeakPolarHBondContact O-CB 3.31Å; K155-S170 PolarHBondContact O-OG 3.22Å; S170-K172 PolarHBondContact O-N 3.49Å; S170-K172 PolarHBondContact OG-N 3.49Å; S170-D173 VanDerWaalsContact CB-OD2 3.3Å; S170-D173 WeakPolarHBondContact CB-OD2 3.25Å; S170-D173 PolarHBondContact N-OD2 3.47Å; S170-D173 WeakPolarHBondContact O-CB 3.39Å; S170-D173 PolarHBondContact O-N 2.98Å |
| 171 | Q | 67.4 | Low | 68.2 | Low | 44 Ų | 44 | 87.8 Ų | 87.8 | 21% | 0.206 | 48% | 0.484 | C | S | . | . | G | 310 helix | trans | -58 | -30.9 | 172.6 | -172.7 | 179.9 | 7 | 0 | 0 | 112.1 | L158 L160 D173 F174 | L158-Q171 HydrophobicContact CB-CB 4.03Å; L158-Q171 PolarHBondContact O-N 2.91Å; L160-Q171 HydrophobicContact CD2-CB 4.18Å; L160-Q171 HydrophobicContact CD2-CG 4.43Å; L160-Q171 HydrophobicContact CG-CB 4.22Å; Q171-D173 PolarHBondContact O-N 3.44Å; Q171-F174 PolarHBondContact O-N 2.8Å |
| 172 | K | 65.8 | Low | 67.7 | Low | 98 Ų | 98 | 84.1 Ų | 84.1 | 43% | 0.426 | 47% | 0.471 | S | S | . | . | G | 310 helix | trans | -68.5 | -16 | 177.5 | -69 | -166.2 | 177.5 | -161.9 | 0 | 114 | E154 S170 F174 | E154-K172 IonicContact OE1-NZ 3.6Å; E154-K172 IonicContact OE2-NZ 2.63Å; E154-K172 PolarHBondContact OE2-NZ 3.5Å; S170-K172 PolarHBondContact O-N 3.49Å; S170-K172 PolarHBondContact OG-N 3.49Å; K172-F174 PolarHBondContact O-N 2.83Å |
| 173 | D | 68.4 | Low | 66.7 | Low | 71 Ų | 71 | 87.5 Ų | 87.5 | 38% | 0.38 | 49% | 0.492 | S | S | . | . | G | 310 helix | trans | -76.6 | -10.2 | 177.2 | -61.3 | -45.3 | 0 | 0 | 0 | 111.8 | K155 S170 Q171 | K155-D173 WeakPolarHBondContact CE-OD1 3.41Å; K155-D173 IonicContact NZ-OD1 3.95Å; K155-D173 PolarHBondContact NZ-OD1 3.33Å; K155-D173 VanDerWaalsContact NZ-OD1 3.08Å; S170-D173 VanDerWaalsContact CB-OD2 3.3Å; S170-D173 WeakPolarHBondContact CB-OD2 3.25Å; S170-D173 PolarHBondContact N-OD2 3.47Å; S170-D173 WeakPolarHBondContact O-CB 3.39Å; S170-D173 PolarHBondContact O-N 2.98Å; Q171-D173 PolarHBondContact O-N 3.44Å |
| 174 | F | 67.2 | Low | 65.8 | Low | 106 Ų | 106 | 86.6 Ų | 86.6 | 47% | 0.465 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -126.4 | 142 | -177.9 | -54.7 | -88 | 0 | 0 | 0 | 112.3 | L160 C169 Q171 K172 V176 | L160-F174 HydrophobicContact CD1-CD2 3.79Å; L160-F174 HydrophobicContact CD1-CE2 4.05Å; C169-F174 HydrophobicContact CB-CE2 3.6Å; C169-F174 HydrophobicContact CB-CZ 4.05Å; C169-F174 WeakPolarHBondContact SG-CE2 3.09Å; Q171-F174 PolarHBondContact O-N 2.8Å; K172-F174 PolarHBondContact O-N 2.83Å; F174-V176 HydrophobicContact CB-CG2 3.61Å; F174-V176 PolarHBondContact O-N 3.23Å |
| 175 | R | 62.5 | Low | 65.5 | Low | 188 Ų | 188 | 91.6 Ų | 91.6 | 71% | 0.709 | 49% | 0.493 | S | S | * | . | trans | -83.2 | 93.2 | 163.9 | -67.2 | -174.3 | 177.5 | -162.8 | -0.1 | 108.4 | A146 | A146-R175 VanDerWaalsContact CB-NH2 3.3Š| ||
| 176 | V | 63.1 | Low | 64.9 | Low | 60 Ų | 60 | 94.5 Ų | 94.5 | 36% | 0.364 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -102.2 | 136.8 | 178.7 | -166.5 | 0 | 0 | 0 | 0 | 109.2 | F174 L178 | F174-V176 HydrophobicContact CB-CG2 3.61Å; F174-V176 PolarHBondContact O-N 3.23Å; V176-L178 PolarHBondContact O-N 3.27Å |
| 177 | N | 64.4 | Low | 64.3 | Low | 69 Ų | 69 | 93.8 Ų | 93.8 | 37% | 0.369 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 124.4 | 169.6 | -67.7 | -26.9 | 0 | 0 | 0 | 108.4 | F179 L189 | N177-F179 WeakPolarHBondContact O-CD2 3.28Å; N177-F179 WeakPolarHBondContact O-CE2 3.35Å; N177-L189 HydrophobicContact CB-CD2 4.28Å |
| 178 | L | 57.7 | Low | 63.6 | Low | 54 Ų | 54 | 92.6 Ų | 92.6 | 28% | 0.283 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 128.1 | 171.7 | -88.3 | 150.8 | 0 | 0 | 0 | 108.9 | V176 M190 Q192 | V176-L178 PolarHBondContact O-N 3.27Å; L178-M190 PolarHBondContact N-O 2.82Å; L178-M190 PolarHBondContact O-N 3.08Å; L178-Q192 HydrophobicContact CD1-CB 4.21Å; L178-Q192 HydrophobicContact CD1-CG 3.93Å |
| 179 | F | 65.6 | Low | 63.2 | Low | 140 Ų | 140 | 91.7 Ų | 91.7 | 61% | 0.614 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94 | 106.2 | 175.2 | -61.3 | -89.7 | 0 | 0 | 0 | 108.1 | N177 I187 L189 | N177-F179 WeakPolarHBondContact O-CD2 3.28Å; N177-F179 WeakPolarHBondContact O-CE2 3.35Å; F179-I187 HydrophobicContact CD1-CG2 3.85Å; F179-L189 HydrophobicContact CD1-CD2 3.46Å; F179-L189 VanDerWaalsContact CD1-CD2 3.46Å; F179-L189 HydrophobicContact CE1-CD2 3.36Å; F179-L189 HydrophobicContact CG-CD2 4.32Å; F179-L189 HydrophobicContact CZ-CD2 4.15Å |
| 180 | L | 62.3 | Low | 62.8 | Low | 75 Ų | 75 | 94.7 Ų | 94.7 | 39% | 0.393 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 118.7 | 170.2 | -74.2 | 153.7 | 0 | 0 | 0 | 107.8 | G182 V188 M190 | L180-G182 PolarHBondContact O-N 2.83Å; L180-V188 PolarHBondContact N-O 2.79Å; L180-V188 PolarHBondContact O-N 2.68Å; L180-M190 HydrophobicContact CD1-CE 3.23Å |
| 181 | P | 60.9 | Low | 61.9 | Low | 118 Ų | 118 | 99.4 Ų | 99.4 | 77% | 0.766 | 52% | 0.517 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 113 | 171.5 | 27.2 | -30.1 | 0 | 0 | 0 | 108.1 | ||
| 182 | G | 65.1 | Low | 61.3 | Low | 24 Ų | 24 | 100 Ų | 100 | 25% | 0.247 | 52% | 0.52 | C | S | . | . | trans | -78.9 | 164.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L180 L186 | L180-G182 PolarHBondContact O-N 2.83Å; G182-L186 PolarHBondContact N-O 3.16Å | ||
| 183 | P | 53.3 | Low | 60.6 | Low | 114 Ų | 114 | 98.9 Ų | 98.9 | 74% | 0.74 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 142.7 | 164.4 | 26.8 | -31.3 | 0 | 0 | 0 | 109.4 | ||
| 184 | D | 54.3 | Low | 59.6 | Low | 145 Ų | 145 | 97.4 Ų | 97.4 | 78% | 0.775 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | 41.8 | -179.5 | -50.3 | -31.7 | 0 | 0 | 0 | 117.3 | L186 | D184-L186 PolarHBondContact O-N 3.24Š|
| 185 | D | 65 | Low | 58.3 | Low | 170 Ų | 170 | 95.6 Ų | 95.6 | 91% | 0.909 | 53% | 0.527 | S | S | * | . | S | Bend | trans | 56.8 | 13.3 | 175.5 | -75 | -22.5 | 0 | 0 | 0 | 114.9 | ||
| 186 | L | 59 | Low | 57.3 | Low | 117 Ų | 117 | 88.9 Ų | 88.9 | 61% | 0.613 | 51% | 0.512 | S | S | * | . | trans | -84.6 | 123.4 | 177.7 | -70 | 167.6 | 0 | 0 | 0 | 110.1 | G182 D184 | G182-L186 PolarHBondContact N-O 3.16Å; D184-L186 PolarHBondContact O-N 3.24Å | ||
| 187 | I | 65.4 | Low | 56.4 | Low | 117 Ų | 117 | 88.6 Ų | 88.6 | 60% | 0.6 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 110.6 | 176.4 | -58.7 | 175.1 | 0 | 0 | 0 | 108.5 | F179 L189 | F179-I187 HydrophobicContact CD1-CG2 3.85Å; I187-L189 HydrophobicContact CG2-CD2 3.97Å; I187-L189 HydrophobicContact CG2-CG 4.34Å |
| 188 | V | 60.7 | Low | 55.2 | Low | 76 Ų | 76 | 95 Ų | 95 | 46% | 0.461 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 115.3 | 172.8 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | L180 M190 | L180-V188 PolarHBondContact N-O 2.79Å; L180-V188 PolarHBondContact O-N 2.68Å; V188-M190 HydrophobicContact CG1-CG 4.05Å |
| 189 | L | 60.2 | Low | 54.3 | Low | 97 Ų | 97 | 99.8 Ų | 99.8 | 51% | 0.508 | 55% | 0.55 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.5 | 110.2 | 175.3 | -62.6 | 173.7 | 0 | 0 | 0 | 109.1 | N177 F179 I187 | N177-L189 HydrophobicContact CB-CD2 4.28Å; F179-L189 HydrophobicContact CD1-CD2 3.46Å; F179-L189 VanDerWaalsContact CD1-CD2 3.46Å; F179-L189 HydrophobicContact CE1-CD2 3.36Å; F179-L189 HydrophobicContact CG-CD2 4.32Å; F179-L189 HydrophobicContact CZ-CD2 4.15Å; I187-L189 HydrophobicContact CG2-CD2 3.97Å; I187-L189 HydrophobicContact CG2-CG 4.34Å |
| 190 | M | 57.6 | Low | 53.3 | Low | 100 Ų | 100 | 97.8 Ų | 97.8 | 49% | 0.493 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 130.2 | 172.8 | -67.6 | -160.9 | -75.1 | 0 | 0 | 110.9 | L178 L180 V188 Q192 | L178-M190 PolarHBondContact N-O 2.82Å; L178-M190 PolarHBondContact O-N 3.08Å; L180-M190 HydrophobicContact CD1-CE 3.23Å; V188-M190 HydrophobicContact CG1-CG 4.05Å; M190-Q192 PolarHBondContact O-N 2.97Å |
| 191 | L | 53.7 | Low | 52.4 | Low | 104 Ų | 104 | 101.1 Ų | 101.1 | 55% | 0.545 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.6 | 120 | 171.6 | -170.6 | 71.4 | 0 | 0 | 0 | 108.5 | S193 | L191-S193 VanDerWaalsContact C-N 3.33Å; L191-S193 PolarHBondContact O-N 3.16Å |
| 192 | Q | 54.9 | Low | 51.1 | Low | 56 Ų | 56 | 101.4 Ų | 101.4 | 26% | 0.262 | 56% | 0.558 | S | S | . | * | trans | -70.3 | 88.5 | -179.9 | -156.2 | 171.5 | 15.9 | 0 | 0 | 109.9 | L178 M190 | L178-Q192 HydrophobicContact CD1-CB 4.21Å; L178-Q192 HydrophobicContact CD1-CG 3.93Å; M190-Q192 PolarHBondContact O-N 2.97Å | ||
| 193 | S | 50.5 | Low | 49.9 | Very low | 75 Ų | 75 | 106 Ų | 106 | 52% | 0.524 | 57% | 0.573 | S | S | . | * | trans | -75.8 | 143.9 | 161.3 | 176.3 | 0 | 0 | 0 | 0 | 108.5 | L191 A195 A196 | L191-S193 VanDerWaalsContact C-N 3.33Å; L191-S193 PolarHBondContact O-N 3.16Å; S193-A195 PolarHBondContact O-N 3.12Å; S193-A196 WeakPolarHBondContact O-CB 3.31Å; S193-A196 PolarHBondContact O-N 3.29Å | ||
| 194 | A | 47.7 | Very low | 49 | Very low | 41 Ų | 41 | 104.9 Ų | 104.9 | 34% | 0.339 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -52.3 | -26.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E145 A196 S197 | E145-A194 HydrophobicContact CB-CB 4.48Å; E145-A194 VanDerWaalsContact CD-CB 3.45Å; E145-A194 HydrophobicContact CG-CB 4.28Å; E145-A194 WeakPolarHBondContact OE2-CB 3.43Å; A194-A196 PolarHBondContact O-N 2.95Å; A194-S197 PolarHBondContact O-N 3.37Å; A194-S197 PolarHBondContact O-OG 3.18Å |
| 195 | A | 40.4 | Very low | 48 | Very low | 67 Ų | 67 | 101.8 Ų | 101.8 | 55% | 0.554 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -30.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | S193 S197 | S193-A195 PolarHBondContact O-N 3.12Å; A195-S197 VanDerWaalsContact C-N 3.32Å; A195-S197 PolarHBondContact O-N 3.08Å |
| 196 | A | 40.7 | Very low | 46.4 | Very low | 47 Ų | 47 | 96.8 Ų | 96.8 | 39% | 0.388 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -74.5 | -21.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113 | S193 A194 R198 F199 | S193-A196 WeakPolarHBondContact O-CB 3.31Å; S193-A196 PolarHBondContact O-N 3.29Å; A194-A196 PolarHBondContact O-N 2.95Å; A196-R198 PolarHBondContact O-N 3.33Å; A196-F199 PolarHBondContact O-N 2.89Å |
| 197 | S | 44.1 | Very low | 45.1 | Very low | 55 Ų | 55 | 95.3 Ų | 95.3 | 39% | 0.385 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.5 | -29.6 | 176.9 | -20.2 | 0 | 0 | 0 | 0 | 112.8 | A194 A195 F199 | A194-S197 PolarHBondContact O-N 3.37Å; A194-S197 PolarHBondContact O-OG 3.18Å; A195-S197 VanDerWaalsContact C-N 3.32Å; A195-S197 PolarHBondContact O-N 3.08Å; S197-F199 VanDerWaalsContact C-N 3.34Å |
| 198 | R | 40.5 | Very low | 43.4 | Very low | 204 Ų | 204 | 99 Ų | 99 | 77% | 0.77 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -74.2 | -29 | -180 | -55.6 | -179.9 | 88 | 113 | -1.9 | 111.5 | A196 | A196-R198 PolarHBondContact O-N 3.33Å |
| 199 | F | 39 | Very low | 42 | Very low | 153 Ų | 153 | 100 Ų | 100 | 67% | 0.671 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -72.9 | -26.1 | -179.1 | -112 | -85.8 | 0 | 0 | 0 | 113.9 | A196 S197 Q203 | A196-F199 PolarHBondContact O-N 2.89Å; S197-F199 VanDerWaalsContact C-N 3.34Å; F199-Q203 PolarHBondContact O-NE2 3.48Å |
| 200 | L | 43.9 | Very low | 40.5 | Very low | 98 Ų | 98 | 100.3 Ų | 100.3 | 51% | 0.513 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -86.2 | -25.8 | -179.7 | -68.4 | 179.2 | 0 | 0 | 0 | 113.4 | D202 | L200-D202 VanDerWaalsContact C-N 3.33Å |
| 201 | L | 43 | Very low | 39.2 | Very low | 146 Ų | 146 | 102 Ų | 102 | 76% | 0.764 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -75.6 | -25.9 | 176.3 | -144.8 | 79.8 | 0 | 0 | 0 | 112 | S204 | L201-S204 PolarHBondContact O-OG 3.14Å |
| 202 | D | 34.6 | Very low | 38 | Very low | 124 Ų | 124 | 103.5 Ų | 103.5 | 66% | 0.663 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -84.3 | -27 | -177.9 | -141.1 | 18.7 | 0 | 0 | 0 | 112.6 | L200 A205 | L200-D202 VanDerWaalsContact C-N 3.33Å; D202-A205 PolarHBondContact O-N 3.14Å |
| 203 | Q | 39.3 | Very low | 36.5 | Very low | 119 Ų | 119 | 109.5 Ų | 109.5 | 56% | 0.556 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -77.6 | -20.5 | 179.3 | -77.4 | -177 | 59.5 | 0 | 0 | 114.2 | F199 A205 | F199-Q203 PolarHBondContact O-NE2 3.48Å; Q203-A205 VanDerWaalsContact C-N 3.31Å |
| 204 | S | 34.1 | Very low | 35.3 | Very low | 92 Ų | 92 | 112.7 Ų | 112.7 | 64% | 0.643 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -76.3 | -20 | 174.4 | 67.2 | 0 | 0 | 0 | 0 | 112.9 | L201 | L201-S204 PolarHBondContact O-OG 3.14Å |
| 205 | A | 32.9 | Very low | 34.7 | Very low | 79 Ų | 79 | 115.2 Ų | 115.2 | 65% | 0.653 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -86.8 | -24.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D202 Q203 | D202-A205 PolarHBondContact O-N 3.14Å; Q203-A205 VanDerWaalsContact C-N 3.31Å |
| 206 | A | 31.5 | Very low | 34 | Very low | 66 Ų | 66 | 119.6 Ų | 119.6 | 55% | 0.545 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -91.2 | -8.4 | -176 | 0 | 0 | 0 | 0 | 0 | 114.6 | E208 | A206-E208 PolarHBondContact O-N 2.88Å |
| 207 | A | 31.4 | Very low | 33.5 | Very low | 85 Ų | 85 | 126 Ų | 126 | 70% | 0.702 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 1.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 208 | E | 30.4 | Very low | 32.8 | Very low | 195 Ų | 195 | 127.9 Ų | 127.9 | 91% | 0.911 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | 4.2 | 174.7 | -74.7 | -157.1 | 158.7 | 0 | 0 | 114.7 | A206 | A206-E208 PolarHBondContact O-N 2.88Š|
| 209 | S | 32.2 | Very low | 32.2 | Very low | 98 Ų | 98 | 122.9 Ų | 122.9 | 69% | 0.685 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -145 | 85.7 | 178.6 | 65.1 | 0 | 0 | 0 | 0 | 113.5 | ||
| 210 | A | 27.2 | Very low | 31.6 | Very low | 103 Ų | 103 | 119.6 Ų | 119.6 | 85% | 0.851 | 74% | 0.737 | S | S | * | * | trans | 170.7 | 101.5 | 133.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 211 | V | 30.5 | Very low | 30.7 | Very low | 136 Ų | 136 | 118.4 Ų | 118.4 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | trans | -82 | 128.4 | 157.4 | 175.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 212 | T | 28.2 | Very low | 30.1 | Very low | 134 Ų | 134 | 117.4 Ų | 117.4 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | 175.9 | 127.7 | 124.1 | 34.3 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 213 | F | 23.7 | Very low | 29.7 | Very low | 182 Ų | 182 | 115.3 Ų | 115.3 | 80% | 0.798 | 75% | 0.753 | S | S | * | * | trans | -43.6 | 157.7 | 155.3 | -110.1 | -129.7 | 0 | 0 | 0 | 113.3 | ||||
| 214 | D | 26.1 | Very low | 29.2 | Very low | 143 Ų | 143 | 118 Ų | 118 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | -164.2 | 161.2 | 56.6 | -120.4 | -44.5 | 0 | 0 | 0 | 112.8 | |||||
| 215 | P | 34.9 | Very low | 28.9 | Very low | 93 Ų | 93 | 119.4 Ų | 119.4 | 60% | 0.604 | 77% | 0.766 | S | S | * | * | trans | -113.6 | 158.6 | -179.9 | 39 | -24.2 | 0 | 0 | 0 | 115.1 | ||||
| 216 | D | 26.1 | Very low | 28.4 | Very low | 159 Ų | 159 | 123.4 Ų | 123.4 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | trans | 171.5 | 144 | 149.9 | -102.3 | -19.8 | 0 | 0 | 0 | 106.7 | ||||
| 217 | E | 29.5 | Very low | 28.2 | Very low | 181 Ų | 181 | 127.4 Ų | 127.4 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | cis | -162.8 | 149.3 | 31.8 | -148.1 | 178.6 | 175.6 | 0 | 0 | 110.7 | ||||
| 218 | A | 29.3 | Very low | 28.2 | Very low | 95 Ų | 95 | 129 Ų | 129 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -51.9 | 171.7 | 168 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 219 | A | 28.7 | Very low | 28.1 | Very low | 99 Ų | 99 | 126.6 Ų | 126.6 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | cis | -178.5 | 165 | -3.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 220 | G | 25.9 | Very low | 27.7 | Very low | 84 Ų | 84 | 130.5 Ų | 130.5 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | trans | 95.4 | 134.1 | 148.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 221 | G | 26.1 | Very low | 27.7 | Very low | 74 Ų | 74 | 135.1 Ų | 135.1 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | cis | 173.1 | 156 | 1.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 222 | S | 28.8 | Very low | 27.5 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | 46.6 | 114.5 | 148.8 | -125.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 223 | A | 27.4 | Very low | 27.5 | Very low | 80 Ų | 80 | 136.4 Ų | 136.4 | 66% | 0.661 | 79% | 0.785 | S | S | * | * | 93.6 | 116.7 | 66.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 224 | E | 28.7 | Very low | 27.6 | Very low | 175 Ų | 175 | 133.7 Ų | 133.7 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | 76.7 | 118.7 | 139.4 | -52.7 | -76 | 146.7 | 0 | 0 | 121.5 | ||||
| 225 | D | 27.1 | Very low | 27.6 | Very low | 122 Ų | 122 | 134.3 Ų | 134.3 | 65% | 0.652 | 78% | 0.781 | S | S | * | * | 119.5 | 144.4 | 113.3 | -128.3 | -8 | 0 | 0 | 0 | 123.1 | |||||
| 226 | F | 22.6 | Very low | 27.1 | Very low | 164 Ų | 164 | 138.4 Ų | 138.4 | 72% | 0.719 | 79% | 0.792 | S | S | * | * | trans | 86.9 | 98.8 | 160 | -72.1 | -76.6 | 0 | 0 | 0 | 126 | ||||
| 227 | L | 26.5 | Very low | 27.7 | Very low | 150 Ų | 150 | 135.6 Ų | 135.6 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | 34.7 | -176.5 | 122.4 | -49.6 | 178.9 | 0 | 0 | 0 | 124 | |||||
| 228 | P | 33.2 | Very low | 27.4 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | -123.4 | -179.4 | -108.5 | 34.4 | -10.1 | 0 | 0 | 0 | 114.5 | |||||
| 229 | V | 26.8 | Very low | 27.2 | Very low | 145 Ų | 145 | 137.1 Ų | 137.1 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | trans | -132.5 | 126.9 | 172.8 | 172 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 230 | Q | 25.4 | Very low | 27.2 | Very low | 180 Ų | 180 | 140.6 Ų | 140.6 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | -85.7 | 155 | 166.9 | -75.8 | 158.7 | -58.8 | 0 | 0 | 110.8 | ||||
| 231 | E | 26.7 | Very low | 27.3 | Very low | 200 Ų | 200 | 145.4 Ų | 145.4 | 94% | 0.935 | 78% | 0.782 | S | S | * | * | trans | -135.4 | 125.4 | 160.6 | -136.2 | 170.4 | -158.9 | 0 | 0 | 109 | ||||
| 232 | E | 25 | Very low | 27.3 | Very low | 161 Ų | 161 | 150.2 Ų | 150.2 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | trans | -115.3 | 172.4 | 178.1 | -97 | -173.6 | 170.3 | 0 | 0 | 110.1 | ||||
| 233 | L | 28.8 | Very low | 27.2 | Very low | 136 Ų | 136 | 152.4 Ų | 152.4 | 71% | 0.712 | 78% | 0.784 | S | S | * | * | trans | 97 | 129.4 | 159.2 | -48.5 | -176.3 | 0 | 0 | 0 | 114.8 | ||||
| 234 | N | 25.1 | Very low | 27.1 | Very low | 125 Ų | 125 | 155.1 Ų | 155.1 | 67% | 0.668 | 78% | 0.783 | S | S | * | * | cis | 178.9 | 164.4 | 10.6 | -117.7 | -9.5 | 0 | 0 | 0 | 113 | ||||
| 235 | L | 26.4 | Very low | 26.9 | Very low | 156 Ų | 156 | 157.1 Ų | 157.1 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | trans | 102.4 | 124.3 | 142.3 | -100.2 | 77.5 | 0 | 0 | 0 | 122.9 | ||||
| 236 | E | 24.9 | Very low | 27 | Very low | 178 Ų | 178 | 160.1 Ų | 160.1 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -87 | -154.2 | -172.2 | -44.1 | -172.1 | 129.6 | 0 | 0 | 114.9 | ||||
| 237 | P | 38.3 | Very low | 27.1 | Very low | 100 Ų | 100 | 161.2 Ų | 161.2 | 65% | 0.649 | 80% | 0.801 | S | S | * | * | cis | -144.4 | 179.4 | -4.2 | 30.3 | -3.9 | 0 | 0 | 0 | 120.3 | ||||
| 238 | D | 23.7 | Very low | 27.1 | Very low | 140 Ų | 140 | 160.7 Ų | 160.7 | 75% | 0.749 | 80% | 0.804 | S | S | * | * | trans | 73.9 | 121 | 147.1 | -71.1 | -12.7 | 0 | 0 | 0 | 124 | ||||
| 239 | L | 25.3 | Very low | 26.7 | Very low | 168 Ų | 168 | 161.9 Ų | 161.9 | 88% | 0.88 | 80% | 0.802 | S | S | * | * | -171.2 | 132.6 | 107.5 | -143.4 | 82.4 | 0 | 0 | 0 | 112.8 | |||||
| 240 | E | 28.4 | Very low | 26.8 | Very low | 172 Ų | 172 | 158.7 Ų | 158.7 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -76.8 | 152.1 | 168.2 | -87.3 | 146.9 | 140 | 0 | 0 | 114 | ||||
| 241 | E | 29.1 | Very low | 26.9 | Very low | 185 Ų | 185 | 158.9 Ų | 158.9 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -158.7 | 129.8 | 142.8 | -116.2 | 178.1 | -166.5 | 0 | 0 | 113.6 | ||||
| 242 | H | 25.3 | Very low | 26.9 | Very low | 176 Ų | 176 | 152.3 Ų | 152.3 | 82% | 0.815 | 79% | 0.787 | S | S | * | * | trans | -86.4 | 140.5 | 169.6 | -97.3 | 54.9 | 0 | 0 | 0 | 110.7 | ||||
| 243 | I | 26.9 | Very low | 27.2 | Very low | 169 Ų | 169 | 156.8 Ų | 156.8 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -142.2 | 127.7 | 148.6 | -58.9 | -176.9 | 0 | 0 | 0 | 111.5 | ||||
| 244 | E | 24.6 | Very low | 27.3 | Very low | 138 Ų | 138 | 158 Ų | 158 | 65% | 0.645 | 80% | 0.803 | S | S | * | * | trans | -81.6 | 162 | 173.1 | -83 | -171.2 | 173.6 | 0 | 0 | 114.7 | ||||
| 245 | R | 24.8 | Very low | 27.5 | Very low | 217 Ų | 217 | 160.4 Ų | 160.4 | 82% | 0.819 | 81% | 0.814 | S | S | * | * | trans | 73.9 | 122.4 | 148.6 | -74.7 | 161.7 | -169.8 | -141.3 | -6.7 | 120.2 | ||||
| 246 | Q | 28.3 | Very low | 27.7 | Very low | 185 Ų | 185 | 164.2 Ų | 164.2 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | -167.3 | 122.5 | 104.6 | -119.2 | 173.3 | -32.9 | 0 | 0 | 113.5 | |||||
| 247 | Q | 26.2 | Very low | 27.8 | Very low | 186 Ų | 186 | 165.1 Ų | 165.1 | 87% | 0.869 | 82% | 0.821 | S | S | * | * | trans | -78.5 | 147.9 | 157.8 | -75.5 | 171.4 | -9.2 | 0 | 0 | 109.7 | ||||
| 248 | V | 26.2 | Very low | 27.4 | Very low | 140 Ų | 140 | 165.2 Ų | 165.2 | 85% | 0.848 | 83% | 0.83 | S | S | * | * | trans | -133.2 | 130.3 | 156.7 | 177.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 249 | L | 24.4 | Very low | 27.7 | Very low | 142 Ų | 142 | 163.4 Ų | 163.4 | 74% | 0.743 | 84% | 0.835 | S | S | * | * | trans | -88.6 | 143.7 | -178.8 | -138.7 | 137.3 | 0 | 0 | 0 | 109.3 | E251 | L249-E251 HydrophobicContact CD2-CG 3.84Š| ||
| 250 | G | 29.1 | Very low | 28 | Very low | 79 Ų | 79 | 160.2 Ų | 160.2 | 81% | 0.814 | 83% | 0.832 | S | S | * | * | trans | -144.7 | 100.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 251 | E | 28.2 | Very low | 28 | Very low | 183 Ų | 183 | 163.4 Ų | 163.4 | 86% | 0.855 | 84% | 0.837 | S | S | * | * | trans | -75.7 | 149.3 | 179.9 | -68.1 | 179.3 | 133 | 0 | 0 | 113.4 | L249 | L249-E251 HydrophobicContact CD2-CG 3.84Š| ||
| 252 | G | 26.8 | Very low | 28.1 | Very low | 63 Ų | 63 | 164.1 Ų | 164.1 | 65% | 0.649 | 84% | 0.841 | S | S | * | * | 113.9 | 104.2 | 129.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 253 | R | 31.2 | Very low | 28.3 | Very low | 255 Ų | 255 | 164.8 Ų | 164.8 | 96% | 0.962 | 84% | 0.844 | S | S | * | * | -168.5 | 117.5 | 124.7 | -99.9 | 164.6 | -153.5 | -129.7 | 7.4 | 111.2 | |||||
| 254 | L | 30 | Very low | 28.8 | Very low | 161 Ų | 161 | 165.6 Ų | 165.6 | 84% | 0.843 | 84% | 0.844 | S | S | * | * | trans | -73.6 | 138.9 | 174.2 | -80.2 | 71.5 | 0 | 0 | 0 | 111.7 | ||||
| 255 | I | 30.4 | Very low | 29.3 | Very low | 176 Ų | 176 | 168.5 Ų | 168.5 | 90% | 0.903 | 86% | 0.858 | S | S | * | * | trans | -138.5 | 138.6 | 143.5 | -59.4 | -176.2 | 0 | 0 | 0 | 108.8 | ||||
| 256 | R | 29.8 | Very low | 29.9 | Very low | 235 Ų | 235 | 167 Ų | 167 | 89% | 0.887 | 86% | 0.86 | S | S | * | * | trans | -73.8 | 150.7 | -163.6 | -69.9 | 174.2 | 167.4 | 167.2 | -4.5 | 115.2 | ||||
| 257 | H | 27.2 | Very low | 30.8 | Very low | 198 Ų | 198 | 166.7 Ų | 166.7 | 92% | 0.917 | 86% | 0.859 | S | S | * | * | trans | -55.9 | 146.4 | 173.1 | -73.6 | -94.3 | 0 | 0 | 0 | 115.6 | ||||
| 258 | A | 30.4 | Very low | 31.7 | Very low | 101 Ų | 101 | 163.6 Ų | 163.6 | 84% | 0.835 | 85% | 0.854 | S | S | * | * | trans | -123.2 | 148 | 153.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 259 | A | 29 | Very low | 32.6 | Very low | 102 Ų | 102 | 162.8 Ų | 162.8 | 84% | 0.843 | 85% | 0.852 | S | S | * | * | trans | -61.5 | 134.9 | -155.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 260 | A | 30.7 | Very low | 33.9 | Very low | 101 Ų | 101 | 160.1 Ų | 160.1 | 84% | 0.835 | 85% | 0.851 | S | S | * | * | trans | 25 | 104.8 | 141.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 261 | R | 28.8 | Very low | 34.8 | Very low | 240 Ų | 240 | 161.6 Ų | 161.6 | 91% | 0.906 | 86% | 0.855 | S | S | * | * | trans | -120.4 | 133.7 | 139.3 | -97.9 | 178.9 | 170.5 | 164.9 | -3 | 107.4 | E263 | R261-E263 PolarHBondContact O-N 3.09Š| ||
| 262 | Q | 31 | Very low | 36 | Very low | 200 Ų | 200 | 158.3 Ų | 158.3 | 94% | 0.935 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 123.5 | 179.9 | -70 | 168.1 | -42.8 | 0 | 0 | 109.7 | ||
| 263 | E | 30.5 | Very low | 37.4 | Very low | 189 Ų | 189 | 158.5 Ų | 158.5 | 88% | 0.883 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 119.8 | 167.9 | -69.8 | 171.4 | 165.4 | 0 | 0 | 107.3 | R261 | R261-E263 PolarHBondContact O-N 3.09Š|
| 264 | E | 36.5 | Very low | 38.6 | Very low | 187 Ų | 187 | 153.3 Ų | 153.3 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 121.5 | 154.9 | -73.2 | -177.6 | 160.4 | 0 | 0 | 106.1 | E266 | E264-E266 PolarHBondContact O-N 3.35Å; E264-E266 VanDerWaalsContact O-N 3.15Å |
| 265 | E | 35.2 | Very low | 39.5 | Very low | 198 Ų | 198 | 154.8 Ų | 154.8 | 93% | 0.925 | 82% | 0.824 | S | S | * | * | trans | -64 | 106.8 | 169.5 | -85.4 | 178.7 | 139.8 | 0 | 0 | 108.9 | ||||
| 266 | E | 38.8 | Very low | 40.6 | Very low | 187 Ų | 187 | 150.2 Ų | 150.2 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 116.2 | 158.2 | -85.4 | -169.4 | 151.3 | 0 | 0 | 108.5 | E264 | E264-E266 PolarHBondContact O-N 3.35Å; E264-E266 VanDerWaalsContact O-N 3.15Å |
| 267 | E | 46.6 | Very low | 41.8 | Very low | 178 Ų | 178 | 146.2 Ų | 146.2 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 140.9 | 165.1 | -74.1 | -171.2 | 148.6 | 0 | 0 | 110.2 | ||
| 268 | P | 44.2 | Very low | 43.1 | Very low | 120 Ų | 120 | 143.6 Ų | 143.6 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 132.4 | 174.6 | 27.5 | -32.4 | 0 | 0 | 0 | 109.9 | A270 | P268-A270 PolarHBondContact O-N 3.08Š|
| 269 | P | 46.5 | Very low | 44.4 | Very low | 124 Ų | 124 | 142.9 Ų | 142.9 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 136.8 | 173.3 | 26.8 | -32 | 0 | 0 | 0 | 109.5 | A271 | P269-A271 PolarHBondContact O-N 3.28Š|
| 270 | A | 51 | Low | 45.7 | Very low | 86 Ų | 86 | 143.4 Ų | 143.4 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 139.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | P268 V272 | P268-A270 PolarHBondContact O-N 3.08Å; A270-V272 PolarHBondContact O-N 3.23Å |
| 271 | A | 46.9 | Very low | 46.9 | Very low | 109 Ų | 109 | 148.7 Ų | 148.7 | 90% | 0.901 | 77% | 0.765 | S | S | * | * | trans | -61.2 | 97.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | P269 S273 | P269-A271 PolarHBondContact O-N 3.28Å; A271-S273 PolarHBondContact O-N 2.71Å | ||
| 272 | V | 54.9 | Low | 48.4 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 70% | 0.697 | 74% | 0.739 | S | S | * | * | trans | -77.7 | 116.7 | 170.3 | -177 | 0 | 0 | 0 | 0 | 107.2 | A270 N274 T276 | A270-V272 PolarHBondContact O-N 3.23Å; V272-N274 PolarHBondContact O-N 2.87Å; V272-T276 WeakPolarHBondContact CG1-OG1 3.17Å | ||
| 273 | S | 55.6 | Low | 49.6 | Very low | 67 Ų | 67 | 134.8 Ų | 134.8 | 47% | 0.469 | 74% | 0.736 | S | S | . | * | trans | -59.2 | 132 | 176.4 | 178.3 | 0 | 0 | 0 | 0 | 110.2 | A271 W275 T276 | A271-S273 PolarHBondContact O-N 2.71Å; S273-W275 PolarHBondContact O-N 3.39Å; S273-T276 PolarHBondContact O-N 2.78Å; S273-T276 VanDerWaalsContact O-N 3.1Å; S273-T276 PolarHBondContact O-OG1 3.44Å | ||
| 274 | N | 56.5 | Low | 50.9 | Low | 146 Ų | 146 | 133.5 Ų | 133.5 | 78% | 0.781 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -6.2 | 177.2 | -76 | -31.6 | 0 | 0 | 0 | 114.2 | V272 | V272-N274 PolarHBondContact O-N 2.87Š|
| 275 | W | 49.4 | Very low | 51.5 | Low | 191 Ų | 191 | 127.9 Ų | 127.9 | 72% | 0.723 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -9.3 | -179 | -59.2 | 100.8 | 0 | 0 | 0 | 114.4 | S273 L277 H278 | S273-W275 PolarHBondContact O-N 3.39Å; W275-L277 PolarHBondContact O-N 3.31Å; W275-L277 VanDerWaalsContact O-N 3.1Å; W275-H278 PolarHBondContact O-N 2.96Å |
| 276 | T | 53.1 | Low | 52.3 | Low | 80 Ų | 80 | 121.8 Ų | 121.8 | 49% | 0.491 | 72% | 0.717 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.6 | -16.1 | 177.5 | 26.1 | 0 | 0 | 0 | 0 | 114 | V272 S273 | V272-T276 WeakPolarHBondContact CG1-OG1 3.17Å; S273-T276 PolarHBondContact O-N 2.78Å; S273-T276 VanDerWaalsContact O-N 3.1Å; S273-T276 PolarHBondContact O-OG1 3.44Å |
| 277 | L | 55.1 | Low | 52.7 | Low | 152 Ų | 152 | 121 Ų | 121 | 80% | 0.796 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -4 | 176.1 | -65.9 | 171.9 | 0 | 0 | 0 | 113.7 | W275 | W275-L277 PolarHBondContact O-N 3.31Å; W275-L277 VanDerWaalsContact O-N 3.1Å |
| 278 | H | 53.4 | Low | 53 | Low | 142 Ų | 142 | 123.4 Ų | 123.4 | 66% | 0.657 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -116.8 | 7.9 | -176.3 | -69.9 | -58.3 | 0 | 0 | 0 | 113.7 | W275 P280 | W275-H278 PolarHBondContact O-N 2.96Å; H278-P280 WeakPolarHBondContact O-CD 3.16Å |
| 279 | D | 58.3 | Low | 53.6 | Low | 86 Ų | 86 | 123.6 Ų | 123.6 | 46% | 0.46 | 72% | 0.721 | S | S | . | * | trans | -84.4 | 113.8 | 174.7 | -176.8 | -2.1 | 0 | 0 | 0 | 110.6 | Y281 A282 | D279-Y281 PolarHBondContact O-N 3.48Å; D279-Y281 PolarHBondContact OD1-N 2.99Å; D279-A282 HydrophobicContact CB-CB 4.03Å; D279-A282 PolarHBondContact O-N 2.93Å | ||
| 280 | P | 56.7 | Low | 53.9 | Low | 114 Ų | 114 | 126 Ų | 126 | 74% | 0.74 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -8.9 | -179.6 | 27.7 | -32.9 | 0 | 0 | 0 | 114.2 | H278 | H278-P280 WeakPolarHBondContact O-CD 3.16Š|
| 281 | Y | 56.4 | Low | 54.1 | Low | 212 Ų | 212 | 128.2 Ų | 128.2 | 83% | 0.831 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.5 | 1.9 | 177.8 | -60.3 | -79.5 | 0 | 0 | 0 | 113.7 | D279 A283 | D279-Y281 PolarHBondContact O-N 3.48Å; D279-Y281 PolarHBondContact OD1-N 2.99Å; Y281-A283 PolarHBondContact O-N 3.07Å |
| 282 | A | 59.8 | Low | 54.3 | Low | 44 Ų | 44 | 129.3 Ų | 129.3 | 36% | 0.364 | 73% | 0.729 | S | S | . | * | S | Bend | trans | -68.3 | 116.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | D279 L284 | D279-A282 HydrophobicContact CB-CB 4.03Å; D279-A282 PolarHBondContact O-N 2.93Å; A282-L284 PolarHBondContact O-N 3.24Å |
| 283 | A | 56.3 | Low | 54.5 | Low | 104 Ų | 104 | 126.8 Ų | 126.8 | 86% | 0.86 | 73% | 0.727 | S | S | * | * | trans | -68.2 | 91.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y281 G285 | Y281-A283 PolarHBondContact O-N 3.07Å; A283-G285 PolarHBondContact O-N 3.4Å | ||
| 284 | L | 56.6 | Low | 54.3 | Low | 161 Ų | 161 | 135.2 Ų | 135.2 | 84% | 0.843 | 75% | 0.748 | S | S | * | * | trans | -66.7 | 101.6 | 172 | -76.8 | 157.9 | 0 | 0 | 0 | 109.2 | A282 | A282-L284 PolarHBondContact O-N 3.24Š| ||
| 285 | G | 50.9 | Low | 53.8 | Low | 69 Ų | 69 | 134.2 Ų | 134.2 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 136.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | A283 | A283-G285 PolarHBondContact O-N 3.4Š|
| 286 | G | 50.4 | Low | 53.5 | Low | 71 Ų | 71 | 135.7 Ų | 135.7 | 73% | 0.732 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 149.7 | -165.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | R288 | G286-R288 PolarHBondContact O-N 2.96Š|
| 287 | D | 47.4 | Very low | 53.2 | Low | 170 Ų | 170 | 143.6 Ų | 143.6 | 91% | 0.909 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -46.4 | 118.8 | -175.1 | -71.4 | -24.2 | 0 | 0 | 0 | 113.6 | ||
| 288 | R | 52.8 | Low | 52.9 | Low | 229 Ų | 229 | 140.9 Ų | 140.9 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 136.9 | 166.1 | -62.9 | -175.2 | -172.1 | -170.5 | 3.3 | 109.2 | G286 L290 | G286-R288 PolarHBondContact O-N 2.96Å; R288-L290 PolarHBondContact O-N 2.77Å |
| 289 | P | 56.8 | Low | 52.5 | Low | 124 Ų | 124 | 139.2 Ų | 139.2 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 130.5 | 178.1 | 24.6 | -31.6 | 0 | 0 | 0 | 111.3 | T291 | P289-T291 PolarHBondContact O-N 2.89Š|
| 290 | L | 53.7 | Low | 51.6 | Low | 174 Ų | 174 | 143.5 Ų | 143.5 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 127.6 | -177.1 | -63.4 | 167.9 | 0 | 0 | 0 | 111.6 | R288 | R288-L290 PolarHBondContact O-N 2.77Š|
| 291 | T | 54.3 | Low | 51.6 | Low | 133 Ų | 133 | 141.9 Ų | 141.9 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 130.1 | 170.1 | 47.5 | 0 | 0 | 0 | 0 | 110.3 | P289 G293 | P289-T291 PolarHBondContact O-N 2.89Å; T291-G293 PolarHBondContact O-N 3.06Å |
| 292 | P | 52.2 | Low | 51.3 | Low | 131 Ų | 131 | 138.1 Ų | 138.1 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -74 | 119.4 | -178.5 | 28 | -32.7 | 0 | 0 | 0 | 111.3 | ||
| 293 | G | 58.1 | Low | 50.5 | Low | 63 Ų | 63 | 143.5 Ų | 143.5 | 65% | 0.649 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 161.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113 | T291 C295 | T291-G293 PolarHBondContact O-N 3.06Å; G293-C295 PolarHBondContact O-N 3.31Å |
| 294 | R | 52 | Low | 50.2 | Low | 244 Ų | 244 | 146.1 Ų | 146.1 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 120.1 | 179.2 | -77 | -177.1 | 176.4 | -154.1 | 0.2 | 111.3 | ||
| 295 | C | 45.3 | Very low | 49.8 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 135.2 | 173.6 | -57.3 | 0 | 0 | 0 | 0 | 111.8 | G293 | G293-C295 PolarHBondContact O-N 3.31Š|
| 296 | Y | 44.9 | Very low | 49.3 | Very low | 222 Ų | 222 | 141.8 Ų | 141.8 | 87% | 0.871 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 145.7 | 176.1 | -45.5 | -87.1 | 0 | 0 | 0 | 111.2 | ||
| 297 | R | 46.4 | Very low | 49.2 | Very low | 247 Ų | 247 | 148.7 Ų | 148.7 | 93% | 0.932 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 140 | -174.7 | -72.8 | -172.4 | -178.4 | -173.6 | 0.9 | 112.4 | ||
| 298 | V | 48.3 | Very low | 49.4 | Very low | 94 Ų | 94 | 150.5 Ų | 150.5 | 57% | 0.57 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 140.7 | 170.1 | 179.9 | 0 | 0 | 0 | 0 | 109.6 | L302 | V298-L302 HydrophobicContact CG1-CB 3.72Å; V298-L302 HydrophobicContact CG1-CD1 4.2Å |
| 299 | P | 45.5 | Very low | 49.3 | Very low | 107 Ų | 107 | 150.2 Ų | 150.2 | 70% | 0.695 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 143.5 | 176.6 | -25.1 | 34.2 | 0 | 0 | 0 | 113.2 | G301 | P299-G301 PolarHBondContact O-N 2.84Š|
| 300 | D | 39.5 | Very low | 49.1 | Very low | 177 Ų | 177 | 154.5 Ų | 154.5 | 95% | 0.947 | 82% | 0.816 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | 117.8 | -177 | -74.3 | -33.2 | 0 | 0 | 0 | 111.4 | ||
| 301 | G | 55.3 | Low | 48.7 | Very low | 79 Ų | 79 | 156 Ų | 156 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 138.5 | -12.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115 | P299 | P299-G301 PolarHBondContact O-N 2.84Š|
| 302 | L | 51.4 | Low | 48.2 | Very low | 133 Ų | 133 | 161.3 Ų | 161.3 | 70% | 0.696 | 82% | 0.82 | S | S | * | * | trans | -115 | 25.6 | 178.8 | -88.7 | 161 | 0 | 0 | 0 | 113.3 | V298 D304 | V298-L302 HydrophobicContact CG1-CB 3.72Å; V298-L302 HydrophobicContact CG1-CD1 4.2Å; L302-D304 PolarHBondContact O-N 3.09Å | ||
| 303 | D | 42.2 | Very low | 47.8 | Very low | 158 Ų | 158 | 160.2 Ų | 160.2 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | -88.7 | 99.4 | 177.2 | -152.6 | 11.7 | 0 | 0 | 0 | 109.9 | G305 | D303-G305 PolarHBondContact O-N 3.31Š| ||
| 304 | D | 49.4 | Very low | 47.5 | Very low | 159 Ų | 159 | 163.5 Ų | 163.5 | 85% | 0.85 | 82% | 0.823 | S | S | * | * | trans | -71.5 | 61.4 | 175.7 | -85.4 | -38.2 | 0 | 0 | 0 | 111.3 | L302 G306 | L302-D304 PolarHBondContact O-N 3.09Å; D304-G306 PolarHBondContact O-N 3.03Å | ||
| 305 | G | 48.8 | Very low | 47.6 | Very low | 80 Ų | 80 | 159.8 Ų | 159.8 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | -75.1 | 67.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112 | D303 | D303-G305 PolarHBondContact O-N 3.31Š| ||
| 306 | G | 41.5 | Very low | 48.4 | Very low | 58 Ų | 58 | 160.2 Ų | 160.2 | 60% | 0.598 | 81% | 0.81 | S | S | * | * | trans | -150.5 | 111.2 | -180 | 0 | 0 | 0 | 0 | 0 | 113.3 | D304 R308 | D304-G306 PolarHBondContact O-N 3.03Å; G306-R308 VanDerWaalsContact C-N 3.31Å; G306-R308 PolarHBondContact O-N 3.3Å | ||
| 307 | K | 47.1 | Very low | 49.4 | Very low | 217 Ų | 217 | 155.2 Ų | 155.2 | 94% | 0.943 | 80% | 0.798 | S | S | * | * | trans | -57 | 79.4 | 179.6 | -61.5 | 179.8 | -178.2 | 178.7 | 0 | 113.2 | ||||
| 308 | R | 51.5 | Low | 50.2 | Low | 208 Ų | 208 | 150 Ų | 150 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -139.6 | 110 | 162.7 | -71.8 | -174.6 | 172.9 | 164.8 | -3.3 | 108.4 | G306 R310 | G306-R308 VanDerWaalsContact C-N 3.31Å; G306-R308 PolarHBondContact O-N 3.3Å; R308-R310 VanDerWaalsContact C-N 3.32Å; R308-R310 PolarHBondContact O-N 3.44Å | ||
| 309 | K | 50.6 | Low | 50.6 | Low | 222 Ų | 222 | 154.8 Ų | 154.8 | 97% | 0.965 | 79% | 0.79 | S | S | * | * | trans | -59.1 | 95.6 | 165.1 | -87.4 | -174.6 | 174.1 | 179.7 | 0 | 108.1 | ||||
| 310 | R | 52.4 | Low | 51.5 | Low | 215 Ų | 215 | 152.1 Ų | 152.1 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | trans | -91.3 | 128.6 | 156.3 | -72.2 | -176.6 | 175.1 | 176.3 | -1.2 | 107 | R308 R312 | R308-R310 VanDerWaalsContact C-N 3.32Å; R308-R310 PolarHBondContact O-N 3.44Å; R310-R312 PolarHBondContact O-N 3.42Å | ||
| 311 | K | 45.7 | Very low | 53.1 | Low | 206 Ų | 206 | 150.3 Ų | 150.3 | 90% | 0.896 | 75% | 0.754 | S | S | * | * | trans | -52.9 | 125.8 | 175.8 | -74.2 | 177.5 | 176.1 | 178.9 | 0 | 107.5 | S313 | K311-S313 PolarHBondContact O-N 3.07Š| ||
| 312 | R | 43.5 | Very low | 53.4 | Low | 243 Ų | 243 | 151.4 Ų | 151.4 | 92% | 0.917 | 74% | 0.737 | S | S | * | * | trans | -57.1 | 108.9 | 167.5 | -74 | -178.5 | 171.5 | -179.6 | -4 | 106.8 | R310 V314 | R310-R312 PolarHBondContact O-N 3.42Å; R312-V314 PolarHBondContact O-N 3.25Å | ||
| 313 | S | 45 | Very low | 53.8 | Low | 108 Ų | 108 | 153.1 Ų | 153.1 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | trans | -66.3 | 115.3 | 162.3 | 49.7 | 0 | 0 | 0 | 0 | 106 | K311 L315 | K311-S313 PolarHBondContact O-N 3.07Å; S313-L315 PolarHBondContact O-N 3.18Å; S313-L315 VanDerWaalsContact O-N 3.12Å | ||
| 314 | V | 51.7 | Low | 54.6 | Low | 132 Ų | 132 | 147.9 Ų | 147.9 | 80% | 0.8 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 120.7 | 166.3 | 177.4 | 0 | 0 | 0 | 0 | 106.2 | R312 Q316 | R312-V314 PolarHBondContact O-N 3.25Å; V314-Q316 PolarHBondContact O-N 2.98Å; V314-Q316 VanDerWaalsContact O-N 3.08Å |
| 315 | L | 53.6 | Low | 55 | Low | 166 Ų | 166 | 143 Ų | 143 | 87% | 0.869 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -53 | 119.4 | 172.2 | -92.8 | 150.8 | 0 | 0 | 0 | 106.7 | S313 D317 | S313-L315 PolarHBondContact O-N 3.18Å; S313-L315 VanDerWaalsContact O-N 3.12Å; L315-D317 PolarHBondContact O-N 2.7Å |
| 316 | Q | 62.8 | Low | 55 | Low | 134 Ų | 134 | 146.2 Ų | 146.2 | 63% | 0.626 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 140.2 | 174.5 | -74.6 | -146.3 | 25.4 | 0 | 0 | 108.8 | V314 F318 S320 W321 | V314-Q316 PolarHBondContact O-N 2.98Å; V314-Q316 VanDerWaalsContact O-N 3.08Å; Q316-F318 PolarHBondContact O-N 3.15Å; Q316-S320 PolarHBondContact OE1-OG 3.32Å; Q316-W321 HydrophobicContact CB-CB 4.24Å |
| 317 | D | 65.3 | Low | 55.5 | Low | 116 Ų | 116 | 149.5 Ų | 149.5 | 62% | 0.62 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 136.4 | 175.4 | -169.4 | 9.6 | 0 | 0 | 0 | 108.7 | L315 R319 S320 W321 | L315-D317 PolarHBondContact O-N 2.7Å; D317-R319 PolarHBondContact O-N 3.41Å; D317-S320 WeakPolarHBondContact O-CA 3.35Å; D317-S320 PolarHBondContact O-N 3.37Å; D317-S320 PolarHBondContact O-OG 3.43Å; D317-S320 VanDerWaalsContact O-OG 3.09Å; D317-W321 PolarHBondContact O-N 3.33Å |
| 318 | F | 63.3 | Low | 55.8 | Low | 139 Ų | 139 | 143.7 Ų | 143.7 | 61% | 0.61 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -54.1 | -34.8 | -171.9 | 175.4 | -99.4 | 0 | 0 | 0 | 111.2 | Q316 W321 F322 | Q316-F318 PolarHBondContact O-N 3.15Å; F318-W321 HydrophobicContact CD2-CE3 4.1Å; F318-W321 HydrophobicContact CD2-CZ3 4.23Å; F318-W321 HydrophobicContact CE2-CE3 4.14Å; F318-W321 AromaticContact CE2-CZ3 3.83Å; F318-W321 HydrophobicContact CE2-CZ3 3.83Å; F318-F322 HydrophobicContact CZ-CD2 4.33Å; F318-F322 WeakPolarHBondContact O-CB 3.4Å; F318-F322 PolarHBondContact O-N 3.35Å |
| 319 | R | 56.3 | Low | 55.9 | Low | 194 Ų | 194 | 139.6 Ų | 139.6 | 73% | 0.732 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -69.3 | -35.1 | 174.8 | -76.7 | -177.3 | 161.2 | 153 | -3.6 | 114.3 | D317 R323 | D317-R319 PolarHBondContact O-N 3.41Å; R319-R323 WeakPolarHBondContact O-CB 3.4Å; R319-R323 PolarHBondContact O-N 3.48Å |
| 320 | S | 65.5 | Low | 56.1 | Low | 51 Ų | 51 | 133.3 Ų | 133.3 | 36% | 0.357 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -74.9 | -38.2 | 177.5 | 81.5 | 0 | 0 | 0 | 0 | 111.3 | Q316 D317 G324 | Q316-S320 PolarHBondContact OE1-OG 3.32Å; D317-S320 WeakPolarHBondContact O-CA 3.35Å; D317-S320 PolarHBondContact O-N 3.37Å; D317-S320 PolarHBondContact O-OG 3.43Å; D317-S320 VanDerWaalsContact O-OG 3.09Å; S320-G324 PolarHBondContact O-N 3.29Å |
| 321 | W | 71.9 | Confident | 56.4 | Low | 139 Ų | 139 | 126.6 Ų | 126.6 | 53% | 0.527 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -67.3 | -45.6 | 172.6 | 172.3 | 78.5 | 0 | 0 | 0 | 111.8 | Q316 D317 F318 R323 G324 A325 | Q316-W321 HydrophobicContact CB-CB 4.24Å; D317-W321 PolarHBondContact O-N 3.33Å; F318-W321 HydrophobicContact CD2-CE3 4.1Å; F318-W321 HydrophobicContact CD2-CZ3 4.23Å; F318-W321 HydrophobicContact CE2-CE3 4.14Å; F318-W321 AromaticContact CE2-CZ3 3.83Å; F318-W321 HydrophobicContact CE2-CZ3 3.83Å; W321-R323 PolarHBondContact O-N 3.4Å; W321-G324 PolarHBondContact O-N 3.03Å; W321-A325 VanDerWaalsContact O-CB 3.26Å; W321-A325 WeakPolarHBondContact O-CB 3.33Å; W321-A325 PolarHBondContact O-N 3.3Å |
| 322 | F | 62.9 | Low | 56.9 | Low | 102 Ų | 102 | 123 Ų | 123 | 45% | 0.447 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -61.6 | -44.7 | 178.7 | -174.7 | -92.6 | 0 | 0 | 0 | 111.5 | F318 F326 | F318-F322 HydrophobicContact CZ-CD2 4.33Å; F318-F322 WeakPolarHBondContact O-CB 3.4Å; F318-F322 PolarHBondContact O-N 3.35Å; F322-F326 HydrophobicContact CD2-CD2 4.17Å; F322-F326 HydrophobicContact CD2-CE2 4.38Å; F322-F326 HydrophobicContact CE2-CD2 4.17Å; F322-F326 HydrophobicContact CE2-CE2 4.32Å; F322-F326 PolarHBondContact O-N 3.46Å; F322-F326 VanDerWaalsContact O-N 3.16Å |
| 323 | R | 58.7 | Low | 57.8 | Low | 168 Ų | 168 | 112.5 Ų | 112.5 | 63% | 0.634 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.7 | -45.2 | 171.8 | -79.2 | -155.2 | -76.3 | -152.3 | -1.8 | 112.1 | R319 W321 A325 F326 Q327 | R319-R323 WeakPolarHBondContact O-CB 3.4Å; R319-R323 PolarHBondContact O-N 3.48Å; W321-R323 PolarHBondContact O-N 3.4Å; R323-A325 VanDerWaalsContact C-N 3.26Å; R323-A325 PolarHBondContact O-N 2.92Å; R323-F326 PolarHBondContact O-N 3.2Å; R323-Q327 CarbonylContact O-C 3.11Å; R323-Q327 VanDerWaalsContact O-CA 3.28Å; R323-Q327 WeakPolarHBondContact O-CA 3.31Å; R323-Q327 PolarHBondContact O-N 3.24Å |
| 324 | G | 58.3 | Low | 58.6 | Low | 49 Ų | 49 | 113.2 Ų | 113.2 | 51% | 0.505 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.1 | -28.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S320 W321 | S320-G324 PolarHBondContact O-N 3.29Å; W321-G324 PolarHBondContact O-N 3.03Å |
| 325 | A | 58.2 | Low | 59.1 | Low | 56 Ų | 56 | 110.8 Ų | 110.8 | 46% | 0.463 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -86.1 | -30.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | W321 R323 | W321-A325 VanDerWaalsContact O-CB 3.26Å; W321-A325 WeakPolarHBondContact O-CB 3.33Å; W321-A325 PolarHBondContact O-N 3.3Å; R323-A325 VanDerWaalsContact C-N 3.26Å; R323-A325 PolarHBondContact O-N 2.92Å |
| 326 | F | 49.5 | Very low | 59.5 | Low | 148 Ų | 148 | 104.4 Ų | 104.4 | 65% | 0.649 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -116.3 | -13.5 | -174.1 | -69.5 | -82.8 | 0 | 0 | 0 | 114.8 | F322 R323 | F322-F326 HydrophobicContact CD2-CD2 4.17Å; F322-F326 HydrophobicContact CD2-CE2 4.38Å; F322-F326 HydrophobicContact CE2-CD2 4.17Å; F322-F326 HydrophobicContact CE2-CE2 4.32Å; F322-F326 PolarHBondContact O-N 3.46Å; F322-F326 VanDerWaalsContact O-N 3.16Å; R323-F326 PolarHBondContact O-N 3.2Å |
| 327 | Q | 52.2 | Low | 59.6 | Low | 127 Ų | 127 | 100.3 Ų | 100.3 | 59% | 0.593 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -140.7 | 81.7 | 173.7 | -89.9 | -176.3 | -32 | 0 | 0 | 109.4 | R323 | R323-Q327 CarbonylContact O-C 3.11Å; R323-Q327 VanDerWaalsContact O-CA 3.28Å; R323-Q327 WeakPolarHBondContact O-CA 3.31Å; R323-Q327 PolarHBondContact O-N 3.24Å |
| 328 | P | 53.1 | Low | 59.2 | Low | 94 Ų | 94 | 99.8 Ų | 99.8 | 61% | 0.61 | 52% | 0.52 | S | S | * | . | trans | -56.4 | 137.9 | 174.3 | 23.7 | -31.7 | 0 | 0 | 0 | 109.4 | E330 | P328-E330 PolarHBondContact O-N 3.07Š| ||
| 329 | P | 53.4 | Low | 59.3 | Low | 122 Ų | 122 | 99.4 Ų | 99.4 | 79% | 0.792 | 52% | 0.518 | S | S | * | . | trans | -61.6 | 111.9 | -179.7 | 23.8 | -31.8 | 0 | 0 | 0 | 109.1 | ||||
| 330 | E | 55.3 | Low | 59.7 | Low | 91 Ų | 91 | 93 Ų | 93 | 43% | 0.425 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -66 | 134.5 | 176.9 | -68.6 | -163.4 | -176 | 0 | 0 | 109.7 | P328 K332 N343 | P328-E330 PolarHBondContact O-N 3.07Å; E330-K332 PolarHBondContact O-N 3.42Å; E330-N343 WeakPolarHBondContact OE2-CB 3.42Å; E330-N343 PolarHBondContact OE2-ND2 3.14Å |
| 331 | P | 57.8 | Low | 59.8 | Low | 74 Ų | 74 | 96.5 Ų | 96.5 | 48% | 0.481 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 131.2 | -177.4 | 31.5 | -36.2 | 0 | 0 | 0 | 109.8 | L333 L380 | P331-L333 PolarHBondContact O-N 3.26Å; P331-L380 HydrophobicContact CB-CD1 3.54Å; P331-L380 HydrophobicContact CB-CD2 3.98Å; P331-L380 HydrophobicContact CB-CG 3.95Å; P331-L380 HydrophobicContact CG-CD1 3.93Å |
| 332 | K | 57.5 | Low | 59.8 | Low | 129 Ų | 129 | 93.4 Ų | 93.4 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -67.2 | 124.4 | -179.6 | -64.6 | -179.5 | 179.8 | -178 | 0 | 110.1 | E330 E381 | E330-K332 PolarHBondContact O-N 3.42Å; K332-E381 HydrophobicContact CB-CB 4.21Å; K332-E381 PolarHBondContact O-N 3.41Å |
| 333 | L | 61.5 | Low | 60.3 | Low | 23 Ų | 23 | 89 Ų | 89 | 12% | 0.12 | 49% | 0.49 | C | S | . | . | B | Isolated β-bridge | trans | -85.1 | 134.5 | 171.6 | -61.6 | -178.2 | 0 | 0 | 0 | 109.4 | P331 V335 N343 Y346 L347 L378 L380 | P331-L333 PolarHBondContact O-N 3.26Å; L333-V335 PolarHBondContact O-N 2.6Å; L333-N343 WeakPolarHBondContact CD1-OD1 3.47Å; L333-N343 WeakPolarHBondContact CG-OD1 3.49Å; L333-Y346 HydrophobicContact CD1-CD1 3.51Å; L333-Y346 HydrophobicContact CD1-CE1 3.61Å; L333-L347 HydrophobicContact CD1-CD2 4.23Å; L333-L378 HydrophobicContact CD1-CD2 4.11Å; L333-L378 HydrophobicContact CD2-CD2 3.97Å; L333-L380 HydrophobicContact CD2-CD1 3.96Å |
| 334 | K | 61.6 | Low | 61 | Low | 123 Ų | 123 | 87.4 Ų | 87.4 | 54% | 0.535 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -63.6 | -29 | 175.2 | -70.4 | -174.5 | -177.3 | 176.9 | 0 | 112.9 | Q379 L380 E381 | K334-Q379 HydrophobicContact CB-CB 4.24Å; K334-Q379 WeakPolarHBondContact CB-O 3.5Å; K334-Q379 HydrophobicContact CD-CB 4Å; K334-Q379 HydrophobicContact CG-CB 4.37Å; K334-Q379 WeakPolarHBondContact CG-O 3.41Å; K334-Q379 PolarHBondContact N-O 3.06Å; K334-L380 WeakPolarHBondContact CE-O 3.2Å; K334-E381 HydrophobicContact CG-CB 4.09Å |
| 335 | V | 62.3 | Low | 61.8 | Low | 81 Ų | 81 | 89 Ų | 89 | 49% | 0.491 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -122.6 | 82.2 | 176.2 | -173.7 | 0 | 0 | 0 | 0 | 106.6 | L333 Y346 | L333-V335 PolarHBondContact O-N 2.6Å; V335-Y346 VanDerWaalsContact O-CE1 3.23Å; V335-Y346 WeakPolarHBondContact O-CE1 3.28Å; V335-Y346 PolarHBondContact O-OH 2.84Å |
| 336 | G | 61.3 | Low | 62.7 | Low | 33 Ų | 33 | 87.3 Ų | 87.3 | 34% | 0.34 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -154.1 | 169 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 337 | P | 65.1 | Low | 64 | Low | 48 Ų | 48 | 83.9 Ų | 83.9 | 31% | 0.312 | 45% | 0.452 | S | S | . | . | trans | -56.4 | 146.4 | 175.8 | 22.6 | -31.2 | 0 | 0 | 0 | 110.6 | F339 L342 Y346 | P337-F339 PolarHBondContact O-N 3.21Å; P337-L342 HydrophobicContact CB-CB 3.98Å; P337-L342 HydrophobicContact CG-CB 3.83Å; P337-Y346 VanDerWaalsContact CD-CB 3.48Å | ||
| 338 | S | 58.3 | Low | 65.1 | Low | 104 Ų | 104 | 87 Ų | 87 | 73% | 0.727 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -59 | -19.2 | -174.7 | 65 | 0 | 0 | 0 | 0 | 113.9 | ||
| 339 | F | 65.6 | Low | 66.3 | Low | 132 Ų | 132 | 85.1 Ų | 85.1 | 58% | 0.579 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -106.2 | 124.6 | 178.6 | -61 | -75.6 | 0 | 0 | 0 | 110.9 | P337 D341 L342 | P337-F339 PolarHBondContact O-N 3.21Å; F339-D341 PolarHBondContact O-N 3.39Å; F339-L342 HydrophobicContact CB-CD1 4.16Å; F339-L342 HydrophobicContact CB-CG 4.21Å; F339-L342 HydrophobicContact CD2-CD1 4.24Å; F339-L342 PolarHBondContact O-N 2.98Å |
| 340 | P | 64.5 | Low | 67.5 | Low | 58 Ų | 58 | 80 Ų | 80 | 38% | 0.377 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -57.3 | -33.5 | 176.9 | -23.8 | 33 | 0 | 0 | 0 | 113.1 | L342 N343 | P340-L342 PolarHBondContact O-N 2.96Å; P340-L342 VanDerWaalsContact O-N 3.12Å; P340-N343 WeakPolarHBondContact O-CB 3.42Å; P340-N343 PolarHBondContact O-N 3.26Å |
| 341 | D | 65.9 | Low | 68.5 | Low | 126 Ų | 126 | 82.7 Ų | 82.7 | 67% | 0.674 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -66.4 | -14.6 | 179.6 | -62.5 | -5.5 | 0 | 0 | 0 | 113.2 | F339 Y344 | F339-D341 PolarHBondContact O-N 3.39Å; D341-Y344 WeakPolarHBondContact O-CD1 3.42Å; D341-Y344 WeakPolarHBondContact O-CE1 3.39Å |
| 342 | L | 73.4 | Confident | 69.6 | Low | 73 Ų | 73 | 82.8 Ų | 82.8 | 38% | 0.382 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -98.4 | 1.2 | 175.8 | -60.8 | 178.3 | 0 | 0 | 0 | 112.7 | P337 F339 P340 Y344 L345 Y346 | P337-L342 HydrophobicContact CB-CB 3.98Å; P337-L342 HydrophobicContact CG-CB 3.83Å; F339-L342 HydrophobicContact CB-CD1 4.16Å; F339-L342 HydrophobicContact CB-CG 4.21Å; F339-L342 HydrophobicContact CD2-CD1 4.24Å; F339-L342 PolarHBondContact O-N 2.98Å; P340-L342 PolarHBondContact O-N 2.96Å; P340-L342 VanDerWaalsContact O-N 3.12Å; L342-Y344 VanDerWaalsContact C-N 3.28Å; L342-Y344 PolarHBondContact O-N 3.3Å; L342-L345 WeakPolarHBondContact O-CB 3.36Å; L342-L345 PolarHBondContact O-N 3.34Å; L342-L345 VanDerWaalsContact O-N 3.09Å; L342-Y346 PolarHBondContact O-N 2.91Å |
| 343 | N | 72.9 | Confident | 70.6 | Confident | 9 Ų | 9 | 80.4 Ų | 80.4 | 5% | 0.048 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.5 | -34 | -177.5 | -169.4 | 42.7 | 0 | 0 | 0 | 112 | E330 L333 P340 L345 Y346 L347 | E330-N343 WeakPolarHBondContact OE2-CB 3.42Å; E330-N343 PolarHBondContact OE2-ND2 3.14Å; L333-N343 WeakPolarHBondContact CD1-OD1 3.47Å; L333-N343 WeakPolarHBondContact CG-OD1 3.49Å; P340-N343 WeakPolarHBondContact O-CB 3.42Å; P340-N343 PolarHBondContact O-N 3.26Å; N343-L345 VanDerWaalsContact C-N 3.26Å; N343-L345 PolarHBondContact O-N 3.09Å; N343-Y346 WeakPolarHBondContact O-CB 3.46Å; N343-Y346 PolarHBondContact O-N 3.36Å; N343-Y346 VanDerWaalsContact O-N 3.14Å; N343-L347 WeakPolarHBondContact O-CG 3.16Å; N343-L347 PolarHBondContact O-N 3.2Å |
| 344 | Y | 73.8 | Confident | 71.6 | Confident | 136 Ų | 136 | 79.4 Ų | 79.4 | 53% | 0.533 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.1 | -37.4 | 173.2 | 80.8 | -90.1 | 0 | 0 | 0 | 112.6 | D341 L342 L347 R348 | D341-Y344 WeakPolarHBondContact O-CD1 3.42Å; D341-Y344 WeakPolarHBondContact O-CE1 3.39Å; L342-Y344 VanDerWaalsContact C-N 3.28Å; L342-Y344 PolarHBondContact O-N 3.3Å; Y344-L347 PolarHBondContact O-N 3.04Å; Y344-R348 WeakPolarHBondContact O-CB 3.37Å; Y344-R348 PolarHBondContact O-N 2.98Å |
| 345 | L | 73.5 | Confident | 72.5 | Confident | 82 Ų | 82 | 79.6 Ų | 79.6 | 43% | 0.429 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -71.5 | -38.5 | 178.7 | -169 | 67.1 | 0 | 0 | 0 | 110.6 | L342 N343 R348 T349 | L342-L345 WeakPolarHBondContact O-CB 3.36Å; L342-L345 PolarHBondContact O-N 3.34Å; L342-L345 VanDerWaalsContact O-N 3.09Å; N343-L345 VanDerWaalsContact C-N 3.26Å; N343-L345 PolarHBondContact O-N 3.09Å; L345-R348 WeakPolarHBondContact O-CB 3.47Å; L345-R348 PolarHBondContact O-N 3.29Å; L345-T349 PolarHBondContact O-N 3.49Å; L345-T349 VanDerWaalsContact O-N 3.16Å |
| 346 | Y | 78.4 | Confident | 73.3 | Confident | 21 Ų | 21 | 84.9 Ų | 84.9 | 8% | 0.082 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.3 | -47.4 | 173.1 | -179.4 | -99.1 | 0 | 0 | 0 | 111.8 | L333 V335 P337 L342 N343 R348 T349 L350 F377 | L333-Y346 HydrophobicContact CD1-CD1 3.51Å; L333-Y346 HydrophobicContact CD1-CE1 3.61Å; V335-Y346 VanDerWaalsContact O-CE1 3.23Å; V335-Y346 WeakPolarHBondContact O-CE1 3.28Å; V335-Y346 PolarHBondContact O-OH 2.84Å; P337-Y346 VanDerWaalsContact CD-CB 3.48Å; L342-Y346 PolarHBondContact O-N 2.91Å; N343-Y346 WeakPolarHBondContact O-CB 3.46Å; N343-Y346 PolarHBondContact O-N 3.36Å; N343-Y346 VanDerWaalsContact O-N 3.14Å; Y346-R348 VanDerWaalsContact C-N 3.28Å; Y346-R348 PolarHBondContact O-N 3.44Å; Y346-T349 PolarHBondContact O-N 2.88Å; Y346-T349 VanDerWaalsContact O-N 3.12Å; Y346-T349 PolarHBondContact O-OG1 3.47Å; Y346-L350 HydrophobicContact CE1-CD1 4.49Å; Y346-L350 PolarHBondContact O-N 3.39Å; Y346-F377 PolarHBondContact OH-O 3.35Å |
| 347 | L | 77.1 | Confident | 74 | Confident | 75 Ų | 75 | 87 Ų | 87 | 39% | 0.393 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61 | -34.9 | 176.1 | -68.8 | 172.8 | 0 | 0 | 0 | 112.4 | L333 N343 Y344 L350 L378 | L333-L347 HydrophobicContact CD1-CD2 4.23Å; N343-L347 WeakPolarHBondContact O-CG 3.16Å; N343-L347 PolarHBondContact O-N 3.2Å; Y344-L347 PolarHBondContact O-N 3.04Å; L347-L350 HydrophobicContact CD2-CD2 4.17Å; L347-L350 WeakPolarHBondContact O-CB 3.45Å; L347-L350 PolarHBondContact O-N 3.39Å; L347-L378 HydrophobicContact CD2-CD2 3.62Å |
| 348 | R | 74.8 | Confident | 74.7 | Confident | 194 Ų | 194 | 88.7 Ų | 88.7 | 73% | 0.732 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62 | -43.8 | 173.2 | -173.7 | 179.2 | 176.7 | -178.2 | -1 | 111.9 | Y344 L345 Y346 L350 | Y344-R348 WeakPolarHBondContact O-CB 3.37Å; Y344-R348 PolarHBondContact O-N 2.98Å; L345-R348 WeakPolarHBondContact O-CB 3.47Å; L345-R348 PolarHBondContact O-N 3.29Å; Y346-R348 VanDerWaalsContact C-N 3.28Å; Y346-R348 PolarHBondContact O-N 3.44Å; R348-L350 VanDerWaalsContact C-N 3.34Å |
| 349 | T | 79.1 | Confident | 75.6 | Confident | 54 Ų | 54 | 88 Ų | 88 | 33% | 0.331 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -79.6 | -14.2 | 179.3 | 65.9 | 0 | 0 | 0 | 0 | 114.1 | L345 Y346 R351 D352 K353 | L345-T349 PolarHBondContact O-N 3.49Å; L345-T349 VanDerWaalsContact O-N 3.16Å; Y346-T349 PolarHBondContact O-N 2.88Å; Y346-T349 VanDerWaalsContact O-N 3.12Å; Y346-T349 PolarHBondContact O-OG1 3.47Å; T349-R351 VanDerWaalsContact C-N 3.3Å; T349-R351 PolarHBondContact O-N 3.09Å; T349-D352 PolarHBondContact O-N 3.27Å; T349-K353 PolarHBondContact O-N 3Å; T349-K353 VanDerWaalsContact O-N 3.08Å |
| 350 | L | 78.6 | Confident | 76.2 | Confident | 14 Ų | 14 | 85.8 Ų | 85.8 | 7% | 0.073 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.6 | -38.6 | -175.5 | -179.9 | 64.8 | 0 | 0 | 0 | 112.5 | Y346 L347 R348 D352 K353 V354 F377 L378 | Y346-L350 HydrophobicContact CE1-CD1 4.49Å; Y346-L350 PolarHBondContact O-N 3.39Å; L347-L350 HydrophobicContact CD2-CD2 4.17Å; L347-L350 WeakPolarHBondContact O-CB 3.45Å; L347-L350 PolarHBondContact O-N 3.39Å; R348-L350 VanDerWaalsContact C-N 3.34Å; L350-D352 VanDerWaalsContact C-N 3.26Å; L350-D352 PolarHBondContact O-N 2.64Å; L350-K353 PolarHBondContact O-N 3.39Å; L350-V354 HydrophobicContact CD1-CG2 4.26Å; L350-V354 HydrophobicContact CG-CG2 4.39Å; L350-V354 WeakPolarHBondContact O-CB 3.3Å; L350-V354 VanDerWaalsContact O-CG2 3.31Å; L350-V354 WeakPolarHBondContact O-CG2 3.48Å; L350-V354 PolarHBondContact O-N 2.94Å; L350-F377 HydrophobicContact CD1-CB 3.3Å; L350-F377 HydrophobicContact CD1-CD1 4.44Å; L350-F377 HydrophobicContact CD1-CD2 4.09Å; L350-F377 HydrophobicContact CD1-CG 3.73Å; L350-L378 HydrophobicContact CD2-CD1 3.99Å; L350-L378 HydrophobicContact CD2-CD2 3.61Å; L350-L378 HydrophobicContact CD2-CG 3.75Å |
| 351 | R | 76.3 | Confident | 76.9 | Confident | 148 Ų | 148 | 83.8 Ų | 83.8 | 56% | 0.558 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -59.5 | -40.3 | 178.8 | -169.6 | -179.9 | -175 | -175 | 1.5 | 111.3 | T349 R355 | T349-R351 VanDerWaalsContact C-N 3.3Å; T349-R351 PolarHBondContact O-N 3.09Å; R351-R355 WeakPolarHBondContact O-CB 2.96Å; R351-R355 VanDerWaalsContact O-CG 3.26Å; R351-R355 WeakPolarHBondContact O-CG 3.42Å; R351-R355 PolarHBondContact O-N 3.44Å |
| 352 | D | 80.1 | Confident | 77.3 | Confident | 75 Ų | 75 | 85.9 Ų | 85.9 | 40% | 0.401 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -76.5 | -36.1 | -179.4 | -59.2 | -35.1 | 0 | 0 | 0 | 111.6 | T349 L350 R355 R356 | T349-D352 PolarHBondContact O-N 3.27Å; L350-D352 VanDerWaalsContact C-N 3.26Å; L350-D352 PolarHBondContact O-N 2.64Å; D352-R355 PolarHBondContact O-N 3.17Å; D352-R355 IonicContact OD1-NH1 2.69Å; D352-R356 VanDerWaalsContact O-CG 3.31Å; D352-R356 WeakPolarHBondContact O-CG 3.45Å; D352-R356 PolarHBondContact O-N 3.06Å |
| 353 | K | 78.9 | Confident | 77.6 | Confident | 80 Ų | 80 | 87.4 Ų | 87.4 | 35% | 0.348 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 171.4 | -69.7 | 179 | -179.7 | 178.7 | 0 | 112 | T349 L350 R355 R356 Q357 F377 | T349-K353 PolarHBondContact O-N 3Å; T349-K353 VanDerWaalsContact O-N 3.08Å; L350-K353 PolarHBondContact O-N 3.39Å; K353-R355 VanDerWaalsContact C-N 3.34Å; K353-R355 PolarHBondContact O-N 3.28Å; K353-R356 PolarHBondContact O-N 2.68Å; K353-Q357 WeakPolarHBondContact O-CB 3.41Å; K353-Q357 PolarHBondContact O-N 3.03Å; K353-F377 HydrophobicContact CB-CZ 4.4Å |
| 354 | V | 81.2 | Confident | 77.8 | Confident | 2 Ų | 2 | 93 Ų | 93 | 1% | 0.012 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -63.5 | -39.9 | 175.7 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | L350 R358 E370 L373 R374 F377 | L350-V354 HydrophobicContact CD1-CG2 4.26Å; L350-V354 HydrophobicContact CG-CG2 4.39Å; L350-V354 WeakPolarHBondContact O-CB 3.3Å; L350-V354 VanDerWaalsContact O-CG2 3.31Å; L350-V354 WeakPolarHBondContact O-CG2 3.48Å; L350-V354 PolarHBondContact O-N 2.94Å; V354-R358 VanDerWaalsContact O-CB 3.22Å; V354-R358 WeakPolarHBondContact O-CB 3.45Å; V354-R358 PolarHBondContact O-N 3.12Å; V354-E370 HydrophobicContact CG1-CG 4.03Å; V354-L373 HydrophobicContact CG1-CB 4.03Å; V354-R374 HydrophobicContact CG1-CG 4.22Å; V354-R374 HydrophobicContact CG2-CG 3.82Å; V354-F377 HydrophobicContact CG2-CD2 3.74Å; V354-F377 HydrophobicContact CG2-CE2 4.02Å |
| 355 | R | 80.7 | Confident | 77.5 | Confident | 126 Ų | 126 | 89.7 Ų | 89.7 | 48% | 0.475 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.9 | -48.4 | 175.1 | -77.3 | 168.9 | 170.9 | -175.1 | -8.6 | 112.1 | R351 D352 K353 R358 T359 | R351-R355 WeakPolarHBondContact O-CB 2.96Å; R351-R355 VanDerWaalsContact O-CG 3.26Å; R351-R355 WeakPolarHBondContact O-CG 3.42Å; R351-R355 PolarHBondContact O-N 3.44Å; D352-R355 PolarHBondContact O-N 3.17Å; D352-R355 IonicContact OD1-NH1 2.69Å; K353-R355 VanDerWaalsContact C-N 3.34Å; K353-R355 PolarHBondContact O-N 3.28Å; R355-R358 PolarHBondContact O-N 3Å; R355-T359 PolarHBondContact O-N 2.7Å; R355-T359 PolarHBondContact O-OG1 2.89Å; R355-T359 VanDerWaalsContact O-OG1 3.07Å |
| 356 | R | 79.9 | Confident | 77.4 | Confident | 193 Ų | 193 | 89.4 Ų | 89.4 | 73% | 0.728 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -59.8 | -47.6 | 177 | -71.4 | 176 | -170.6 | -173 | 2.5 | 111.4 | D352 K353 R358 T359 L360 | D352-R356 VanDerWaalsContact O-CG 3.31Å; D352-R356 WeakPolarHBondContact O-CG 3.45Å; D352-R356 PolarHBondContact O-N 3.06Å; K353-R356 PolarHBondContact O-N 2.68Å; R356-R358 VanDerWaalsContact C-N 3.32Å; R356-R358 PolarHBondContact O-N 2.98Å; R356-T359 PolarHBondContact O-N 3.38Å; R356-L360 PolarHBondContact O-N 3.34Å |
| 357 | Q | 76.1 | Confident | 76.9 | Confident | 76 Ų | 76 | 94.9 Ų | 94.9 | 36% | 0.355 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.5 | -37 | 179 | -163.8 | 69.1 | 6 | 0 | 0 | 111.9 | K353 L360 C361 L373 F377 | K353-Q357 WeakPolarHBondContact O-CB 3.41Å; K353-Q357 PolarHBondContact O-N 3.03Å; Q357-L360 PolarHBondContact O-N 3.26Å; Q357-C361 WeakPolarHBondContact O-CB 3.39Å; Q357-C361 PolarHBondContact O-N 3.48Å; Q357-C361 PolarHBondContact O-SG 3.31Å; Q357-L373 HydrophobicContact CB-CD2 3.97Å; Q357-L373 HydrophobicContact CG-CD2 3.43Å; Q357-L373 VanDerWaalsContact CG-CD2 3.43Å; Q357-F377 HydrophobicContact CB-CE2 4.36Å; Q357-F377 HydrophobicContact CB-CZ 4.34Å; Q357-F377 HydrophobicContact CG-CZ 4.43Å |
| 358 | R | 79.9 | Confident | 76.4 | Confident | 85 Ų | 85 | 94.8 Ų | 94.8 | 32% | 0.321 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.3 | -40.6 | 174.4 | -175.7 | -179.7 | -179.3 | 172.6 | 2.9 | 112.2 | V354 R355 R356 R362 E370 L373 | V354-R358 VanDerWaalsContact O-CB 3.22Å; V354-R358 WeakPolarHBondContact O-CB 3.45Å; V354-R358 PolarHBondContact O-N 3.12Å; R355-R358 PolarHBondContact O-N 3Å; R356-R358 VanDerWaalsContact C-N 3.32Å; R356-R358 PolarHBondContact O-N 2.98Å; R358-R362 WeakPolarHBondContact O-CB 3.43Å; R358-R362 VanDerWaalsContact O-CG 3.31Å; R358-R362 WeakPolarHBondContact O-CG 3.49Å; R358-R362 PolarHBondContact O-N 3.07Å; R358-E370 IonicContact NH1-OE2 3.08Å; R358-E370 PolarHBondContact NH1-OE2 3.34Å; R358-L373 HydrophobicContact CB-CD1 3.85Å; R358-L373 HydrophobicContact CG-CD1 4.41Å |
| 359 | T | 76.6 | Confident | 76.4 | Confident | 89 Ų | 89 | 88.9 Ų | 88.9 | 55% | 0.546 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.8 | -40.4 | 175.5 | -54.1 | 0 | 0 | 0 | 0 | 111.1 | R355 R356 R362 T363 | R355-T359 PolarHBondContact O-N 2.7Å; R355-T359 PolarHBondContact O-OG1 2.89Å; R355-T359 VanDerWaalsContact O-OG1 3.07Å; R356-T359 PolarHBondContact O-N 3.38Å; T359-R362 PolarHBondContact O-N 3.46Å; T359-T363 WeakPolarHBondContact O-CG2 3.4Å; T359-T363 PolarHBondContact O-N 3.47Å; T359-T363 PolarHBondContact O-OG1 3.01Å |
| 360 | L | 79.1 | Confident | 75.9 | Confident | 85 Ų | 85 | 89.3 Ų | 89.3 | 45% | 0.445 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.3 | -46.7 | 174.2 | -168.7 | 82.4 | 0 | 0 | 0 | 112.1 | R356 Q357 R362 T363 L364 | R356-L360 PolarHBondContact O-N 3.34Å; Q357-L360 PolarHBondContact O-N 3.26Å; L360-R362 VanDerWaalsContact C-N 3.3Å; L360-R362 PolarHBondContact O-N 3Å; L360-T363 VanDerWaalsContact CA-OG1 3.3Å; L360-T363 WeakPolarHBondContact CA-OG1 3.18Å; L360-T363 PolarHBondContact O-N 3.22Å; L360-T363 PolarHBondContact O-OG1 2.97Å; L360-L364 HydrophobicContact CD2-CD1 4.37Å; L360-L364 HydrophobicContact CG-CD1 4.02Å; L360-L364 WeakPolarHBondContact O-CB 3.39Å; L360-L364 WeakPolarHBondContact O-CG 3.4Å; L360-L364 PolarHBondContact O-N 3.38Å |
| 361 | C | 78.6 | Confident | 75.6 | Confident | 17 Ų | 17 | 94.8 Ų | 94.8 | 12% | 0.115 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -63.3 | -37.4 | 177.6 | -67.9 | 0 | 0 | 0 | 0 | 111.6 | Q357 L364 G365 V366 | Q357-C361 WeakPolarHBondContact O-CB 3.39Å; Q357-C361 PolarHBondContact O-N 3.48Å; Q357-C361 PolarHBondContact O-SG 3.31Å; C361-L364 CarbonylContact O-C 3.25Å; C361-L364 PolarHBondContact O-N 3.22Å; C361-G365 PolarHBondContact O-N 3.39Å; C361-G365 VanDerWaalsContact O-N 3.16Å; C361-V366 CarbonylContact C-O 3.59Å; C361-V366 VanDerWaalsContact C-O 3.25Å; C361-V366 HydrophobicContact CB-CB 4.43Å; C361-V366 WeakPolarHBondContact CB-O 3.3Å; C361-V366 CarbonylContact O-C 3.55Å; C361-V366 PolarHBondContact O-N 3.35Å |
| 362 | R | 74.9 | Confident | 75.5 | Confident | 169 Ų | 169 | 91.6 Ų | 91.6 | 64% | 0.638 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63.7 | -40.2 | 173.6 | -80.8 | 178.3 | 171.7 | -174.9 | -4.8 | 113.1 | R358 T359 L360 L364 G365 | R358-R362 WeakPolarHBondContact O-CB 3.43Å; R358-R362 VanDerWaalsContact O-CG 3.31Å; R358-R362 WeakPolarHBondContact O-CG 3.49Å; R358-R362 PolarHBondContact O-N 3.07Å; T359-R362 PolarHBondContact O-N 3.46Å; L360-R362 VanDerWaalsContact C-N 3.3Å; L360-R362 PolarHBondContact O-N 3Å; R362-L364 VanDerWaalsContact C-N 3.33Å; R362-G365 PolarHBondContact O-N 3.46Å |
| 363 | T | 78.4 | Confident | 75.2 | Confident | 106 Ų | 106 | 88.4 Ų | 88.4 | 65% | 0.65 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -71.7 | -29.3 | 178.1 | 45.2 | 0 | 0 | 0 | 0 | 112.2 | T359 L360 G365 | T359-T363 WeakPolarHBondContact O-CG2 3.4Å; T359-T363 PolarHBondContact O-N 3.47Å; T359-T363 PolarHBondContact O-OG1 3.01Å; L360-T363 VanDerWaalsContact CA-OG1 3.3Å; L360-T363 WeakPolarHBondContact CA-OG1 3.18Å; L360-T363 PolarHBondContact O-N 3.22Å; L360-T363 PolarHBondContact O-OG1 2.97Å; T363-G365 VanDerWaalsContact C-N 3.34Å |
| 364 | L | 78.2 | Confident | 74.9 | Confident | 127 Ų | 127 | 89.6 Ų | 89.6 | 67% | 0.665 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | 5.7 | 174.3 | -66 | 170.8 | 0 | 0 | 0 | 114.2 | L360 C361 R362 V366 | L360-L364 HydrophobicContact CD2-CD1 4.37Å; L360-L364 HydrophobicContact CG-CD1 4.02Å; L360-L364 WeakPolarHBondContact O-CB 3.39Å; L360-L364 WeakPolarHBondContact O-CG 3.4Å; L360-L364 PolarHBondContact O-N 3.38Å; C361-L364 CarbonylContact O-C 3.25Å; C361-L364 PolarHBondContact O-N 3.22Å; R362-L364 VanDerWaalsContact C-N 3.33Å; L364-V366 VanDerWaalsContact C-N 3.27Å; L364-V366 PolarHBondContact O-N 2.97Å |
| 365 | G | 67.3 | Low | 74.5 | Confident | 66 Ų | 66 | 98 Ų | 98 | 68% | 0.68 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.1 | 10.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | C361 R362 T363 | C361-G365 PolarHBondContact O-N 3.39Å; C361-G365 VanDerWaalsContact O-N 3.16Å; R362-G365 PolarHBondContact O-N 3.46Å; T363-G365 VanDerWaalsContact C-N 3.34Å |
| 366 | V | 72.3 | Confident | 74 | Confident | 76 Ų | 76 | 95.5 Ų | 95.5 | 46% | 0.461 | 48% | 0.479 | S | S | . | . | trans | -96.9 | 115.6 | 178.5 | -175.3 | 0 | 0 | 0 | 0 | 109.7 | C361 L364 M368 | C361-V366 CarbonylContact C-O 3.59Å; C361-V366 VanDerWaalsContact C-O 3.25Å; C361-V366 HydrophobicContact CB-CB 4.43Å; C361-V366 WeakPolarHBondContact CB-O 3.3Å; C361-V366 CarbonylContact O-C 3.55Å; C361-V366 PolarHBondContact O-N 3.35Å; L364-V366 VanDerWaalsContact C-N 3.27Å; L364-V366 PolarHBondContact O-N 2.97Å; V366-M368 HydrophobicContact CG1-CG 3.98Å; V366-M368 HydrophobicContact CG1-SD 4.13Å; V366-M368 PolarHBondContact O-N 2.99Å | ||
| 367 | V | 67.1 | Low | 73.5 | Confident | 135 Ų | 135 | 88.2 Ų | 88.2 | 82% | 0.818 | 45% | 0.452 | S | S | * | . | trans | -89.6 | 93.6 | 176.9 | -175.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 368 | M | 66.9 | Low | 72.8 | Confident | 74 Ų | 74 | 87.6 Ų | 87.6 | 37% | 0.365 | 45% | 0.451 | S | S | . | . | trans | -95.4 | 139.6 | 167.2 | -64.2 | -54.6 | -56.2 | 0 | 0 | 110.3 | V366 E372 L373 | V366-M368 HydrophobicContact CG1-CG 3.98Å; V366-M368 HydrophobicContact CG1-SD 4.13Å; V366-M368 PolarHBondContact O-N 2.99Å; M368-E372 HydrophobicContact CE-CB 3.64Å; M368-E372 HydrophobicContact CE-CG 4.22Å; M368-E372 WeakPolarHBondContact CE-OE2 3.47Å; M368-L373 HydrophobicContact CB-CD1 4.17Å; M368-L373 HydrophobicContact CB-CG 4.02Å | ||
| 369 | T | 74.3 | Confident | 72 | Confident | 69 Ų | 69 | 88.3 Ų | 88.3 | 42% | 0.423 | 46% | 0.458 | S | S | . | . | trans | -74.8 | 154.3 | 172.7 | 66.4 | 0 | 0 | 0 | 0 | 110.9 | E371 E372 L373 | T369-E371 PolarHBondContact O-N 3.27Å; T369-E372 WeakPolarHBondContact CB-OE2 3.33Å; T369-E372 PolarHBondContact N-OE2 2.66Å; T369-E372 PolarHBondContact O-N 3.46Å; T369-E372 WeakPolarHBondContact OG1-CB 3.46Å; T369-E372 WeakPolarHBondContact OG1-CG 3.41Å; T369-E372 PolarHBondContact OG1-N 3.02Å; T369-E372 PolarHBondContact OG1-OE2 2.84Å; T369-L373 PolarHBondContact O-N 3.04Å; T369-L373 VanDerWaalsContact O-N 3.08Å | ||
| 370 | E | 69.5 | Low | 70.8 | Confident | 63 Ų | 63 | 88.5 Ų | 88.5 | 29% | 0.294 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.7 | -30.3 | -179.5 | -176.8 | 166.1 | 177.6 | 0 | 0 | 112.3 | V354 R358 R374 | V354-E370 HydrophobicContact CG1-CG 4.03Å; R358-E370 IonicContact NH1-OE2 3.08Å; R358-E370 PolarHBondContact NH1-OE2 3.34Å; E370-R374 WeakPolarHBondContact O-CB 3.12Å; E370-R374 WeakPolarHBondContact O-CG 3.5Å; E370-R374 PolarHBondContact O-N 3.48Å; E370-R374 IonicContact OE1-CZ 2.82Å; E370-R374 IonicContact OE1-NE 3.82Å; E370-R374 IonicContact OE1-NH2 3.67Å; E370-R374 PolarHBondContact OE1-NH2 3.45Å |
| 371 | E | 71.2 | Confident | 69.1 | Low | 129 Ų | 129 | 90 Ų | 90 | 60% | 0.603 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -71.7 | -39.3 | 177 | -62.7 | 178.3 | -170.3 | 0 | 0 | 112.1 | T369 R374 R375 | T369-E371 PolarHBondContact O-N 3.27Å; E371-R374 PolarHBondContact O-N 2.76Å; E371-R375 WeakPolarHBondContact O-CB 3.21Å; E371-R375 WeakPolarHBondContact O-CG 3.42Å; E371-R375 PolarHBondContact O-N 3.48Å |
| 372 | E | 75.3 | Confident | 67.3 | Low | 81 Ų | 81 | 97.6 Ų | 97.6 | 38% | 0.379 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.5 | -43.7 | 175.2 | -72.2 | 159.2 | 164 | 0 | 0 | 111.3 | M368 T369 R375 T376 | M368-E372 HydrophobicContact CE-CB 3.64Å; M368-E372 HydrophobicContact CE-CG 4.22Å; M368-E372 WeakPolarHBondContact CE-OE2 3.47Å; T369-E372 WeakPolarHBondContact CB-OE2 3.33Å; T369-E372 PolarHBondContact N-OE2 2.66Å; T369-E372 PolarHBondContact O-N 3.46Å; T369-E372 WeakPolarHBondContact OG1-CB 3.46Å; T369-E372 WeakPolarHBondContact OG1-CG 3.41Å; T369-E372 PolarHBondContact OG1-N 3.02Å; T369-E372 PolarHBondContact OG1-OE2 2.84Å; E372-R375 PolarHBondContact O-N 3Å; E372-T376 WeakPolarHBondContact O-CG2 3.49Å; E372-T376 PolarHBondContact O-N 3.07Å |
| 373 | L | 72.9 | Confident | 65.2 | Low | 8 Ų | 8 | 94.3 Ų | 94.3 | 4% | 0.042 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -60.2 | -46.9 | 173.9 | -78.9 | 164.9 | 0 | 0 | 0 | 111.2 | V354 Q357 R358 M368 T369 R375 T376 F377 | V354-L373 HydrophobicContact CG1-CB 4.03Å; Q357-L373 HydrophobicContact CB-CD2 3.97Å; Q357-L373 HydrophobicContact CG-CD2 3.43Å; Q357-L373 VanDerWaalsContact CG-CD2 3.43Å; R358-L373 HydrophobicContact CB-CD1 3.85Å; R358-L373 HydrophobicContact CG-CD1 4.41Å; M368-L373 HydrophobicContact CB-CD1 4.17Å; M368-L373 HydrophobicContact CB-CG 4.02Å; T369-L373 PolarHBondContact O-N 3.04Å; T369-L373 VanDerWaalsContact O-N 3.08Å; L373-R375 VanDerWaalsContact C-N 3.33Å; L373-R375 PolarHBondContact O-N 2.87Å; L373-T376 PolarHBondContact O-N 3.39Å; L373-T376 PolarHBondContact O-OG1 3.44Å; L373-F377 WeakPolarHBondContact O-CD2 3.46Å; L373-F377 PolarHBondContact O-N 3.31Å |
| 374 | R | 71.6 | Confident | 62.8 | Low | 106 Ų | 106 | 92.5 Ų | 92.5 | 40% | 0.4 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.6 | -40.6 | 176.4 | -74.9 | 170.1 | -177.6 | -176.6 | 1 | 112.6 | V354 E370 E371 T376 F377 L378 | V354-R374 HydrophobicContact CG1-CG 4.22Å; V354-R374 HydrophobicContact CG2-CG 3.82Å; E370-R374 WeakPolarHBondContact O-CB 3.12Å; E370-R374 WeakPolarHBondContact O-CG 3.5Å; E370-R374 PolarHBondContact O-N 3.48Å; E370-R374 IonicContact OE1-CZ 2.82Å; E370-R374 IonicContact OE1-NE 3.82Å; E370-R374 IonicContact OE1-NH2 3.67Å; E370-R374 PolarHBondContact OE1-NH2 3.45Å; E371-R374 PolarHBondContact O-N 2.76Å; R374-T376 VanDerWaalsContact C-N 3.33Å; R374-T376 PolarHBondContact O-N 3.25Å; R374-F377 PolarHBondContact O-N 3.29Å; R374-L378 HydrophobicContact CB-CD1 4.5Å; R374-L378 WeakPolarHBondContact O-CB 3.34Å; R374-L378 WeakPolarHBondContact O-CG 3.34Å; R374-L378 PolarHBondContact O-N 2.87Å; R374-L378 VanDerWaalsContact O-N 3.09Å |
| 375 | R | 73.1 | Confident | 60.8 | Low | 179 Ų | 179 | 92.4 Ų | 92.4 | 68% | 0.675 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.4 | -34.9 | 176 | -77.5 | 178.1 | 179.7 | 157.7 | 4.3 | 112.7 | E371 E372 L373 F377 L378 | E371-R375 WeakPolarHBondContact O-CB 3.21Å; E371-R375 WeakPolarHBondContact O-CG 3.42Å; E371-R375 PolarHBondContact O-N 3.48Å; E372-R375 PolarHBondContact O-N 3Å; L373-R375 VanDerWaalsContact C-N 3.33Å; L373-R375 PolarHBondContact O-N 2.87Å; R375-F377 VanDerWaalsContact C-N 3.27Å; R375-F377 PolarHBondContact O-N 2.95Å; R375-L378 PolarHBondContact O-N 3.16Å |
| 376 | T | 71.6 | Confident | 58.8 | Low | 73 Ų | 73 | 97.4 Ų | 97.4 | 45% | 0.448 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.5 | -33.6 | 176 | 66.4 | 0 | 0 | 0 | 0 | 112.8 | E372 L373 R374 | E372-T376 WeakPolarHBondContact O-CG2 3.49Å; E372-T376 PolarHBondContact O-N 3.07Å; L373-T376 PolarHBondContact O-N 3.39Å; L373-T376 PolarHBondContact O-OG1 3.44Å; R374-T376 VanDerWaalsContact C-N 3.33Å; R374-T376 PolarHBondContact O-N 3.25Å |
| 377 | F | 69.6 | Low | 56.8 | Low | 40 Ų | 40 | 102.2 Ų | 102.2 | 18% | 0.175 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -88.5 | -18.5 | 179.6 | -70.7 | -70 | 0 | 0 | 0 | 114.9 | Y346 L350 K353 V354 Q357 L373 R374 R375 | Y346-F377 PolarHBondContact OH-O 3.35Å; L350-F377 HydrophobicContact CD1-CB 3.3Å; L350-F377 HydrophobicContact CD1-CD1 4.44Å; L350-F377 HydrophobicContact CD1-CD2 4.09Å; L350-F377 HydrophobicContact CD1-CG 3.73Å; K353-F377 HydrophobicContact CB-CZ 4.4Å; V354-F377 HydrophobicContact CG2-CD2 3.74Å; V354-F377 HydrophobicContact CG2-CE2 4.02Å; Q357-F377 HydrophobicContact CB-CE2 4.36Å; Q357-F377 HydrophobicContact CB-CZ 4.34Å; Q357-F377 HydrophobicContact CG-CZ 4.43Å; L373-F377 WeakPolarHBondContact O-CD2 3.46Å; L373-F377 PolarHBondContact O-N 3.31Å; R374-F377 PolarHBondContact O-N 3.29Å; R375-F377 VanDerWaalsContact C-N 3.27Å; R375-F377 PolarHBondContact O-N 2.95Å |
| 378 | L | 61.1 | Low | 54.8 | Low | 63 Ų | 63 | 103.8 Ų | 103.8 | 33% | 0.33 | 54% | 0.538 | S | S | . | . | trans | -104.9 | 13.7 | -172.5 | -73.9 | 173.3 | 0 | 0 | 0 | 114.5 | L333 L347 L350 R374 R375 L380 | L333-L378 HydrophobicContact CD1-CD2 4.11Å; L333-L378 HydrophobicContact CD2-CD2 3.97Å; L347-L378 HydrophobicContact CD2-CD2 3.62Å; L350-L378 HydrophobicContact CD2-CD1 3.99Å; L350-L378 HydrophobicContact CD2-CD2 3.61Å; L350-L378 HydrophobicContact CD2-CG 3.75Å; R374-L378 HydrophobicContact CB-CD1 4.5Å; R374-L378 WeakPolarHBondContact O-CB 3.34Å; R374-L378 WeakPolarHBondContact O-CG 3.34Å; R374-L378 PolarHBondContact O-N 2.87Å; R374-L378 VanDerWaalsContact O-N 3.09Å; R375-L378 PolarHBondContact O-N 3.16Å; L378-L380 PolarHBondContact O-N 3.14Å | ||
| 379 | Q | 62.9 | Low | 52.7 | Low | 99 Ų | 99 | 103.9 Ų | 103.9 | 46% | 0.463 | 56% | 0.558 | S | S | . | * | trans | -52.7 | 115.6 | -177.8 | -63.6 | -175.7 | 18.7 | 0 | 0 | 111 | K334 | K334-Q379 HydrophobicContact CB-CB 4.24Å; K334-Q379 WeakPolarHBondContact CB-O 3.5Å; K334-Q379 HydrophobicContact CD-CB 4Å; K334-Q379 HydrophobicContact CG-CB 4.37Å; K334-Q379 WeakPolarHBondContact CG-O 3.41Å; K334-Q379 PolarHBondContact N-O 3.06Å | ||
| 380 | L | 51.9 | Low | 50.4 | Low | 93 Ų | 93 | 105.8 Ų | 105.8 | 49% | 0.487 | 58% | 0.581 | S | S | . | * | B | Isolated β-bridge | trans | -78 | 137.2 | -178.4 | -137.5 | 64.3 | 0 | 0 | 0 | 109.8 | P331 L333 K334 L378 E382 | P331-L380 HydrophobicContact CB-CD1 3.54Å; P331-L380 HydrophobicContact CB-CD2 3.98Å; P331-L380 HydrophobicContact CB-CG 3.95Å; P331-L380 HydrophobicContact CG-CD1 3.93Å; L333-L380 HydrophobicContact CD2-CD1 3.96Å; K334-L380 WeakPolarHBondContact CE-O 3.2Å; L378-L380 PolarHBondContact O-N 3.14Å; L380-E382 PolarHBondContact O-N 3.18Å; L380-E382 VanDerWaalsContact O-N 3.1Å |
| 381 | E | 42 | Very low | 48.1 | Very low | 118 Ų | 118 | 106.2 Ų | 106.2 | 55% | 0.551 | 60% | 0.602 | S | S | * | * | trans | -75.6 | 97.5 | 175.3 | -165.9 | 171.1 | -167.1 | 0 | 0 | 110.1 | K332 K334 A383 | K332-E381 HydrophobicContact CB-CB 4.21Å; K332-E381 PolarHBondContact O-N 3.41Å; K334-E381 HydrophobicContact CG-CB 4.09Å; E381-A383 PolarHBondContact O-N 3.21Å | ||
| 382 | E | 40.8 | Very low | 46.5 | Very low | 175 Ų | 175 | 105.9 Ų | 105.9 | 82% | 0.818 | 61% | 0.611 | S | S | * | * | trans | -73 | 111.5 | 169.3 | -72.9 | -176 | 160.5 | 0 | 0 | 109.8 | L380 G384 | L380-E382 PolarHBondContact O-N 3.18Å; L380-E382 VanDerWaalsContact O-N 3.1Å; E382-G384 PolarHBondContact O-N 2.94Å | ||
| 383 | A | 31.8 | Very low | 44.3 | Very low | 100 Ų | 100 | 107.5 Ų | 107.5 | 83% | 0.826 | 63% | 0.626 | S | S | * | * | trans | -69.7 | 107.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | E381 | E381-A383 PolarHBondContact O-N 3.21Š| ||
| 384 | G | 27.3 | Very low | 42.2 | Very low | 68 Ų | 68 | 115 Ų | 115 | 70% | 0.701 | 66% | 0.661 | S | S | * | * | trans | -73.1 | 178.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | E382 | E382-G384 PolarHBondContact O-N 2.94Š| ||
| 385 | P | 35.8 | Very low | 40 | Very low | 125 Ų | 125 | 116.1 Ų | 116.1 | 81% | 0.812 | 68% | 0.675 | S | S | * | * | -130.3 | 157.8 | 127.6 | 34.6 | -22.8 | 0 | 0 | 0 | 114 | |||||
| 386 | Q | 26.8 | Very low | 37.8 | Very low | 172 Ų | 172 | 113.9 Ų | 113.9 | 80% | 0.804 | 68% | 0.681 | S | S | * | * | trans | -38.9 | 144.1 | -177.8 | -83.5 | 90.3 | -9.2 | 0 | 0 | 117.9 | ||||
| 387 | Q | 29.9 | Very low | 35.9 | Very low | 176 Ų | 176 | 116.6 Ų | 116.6 | 82% | 0.822 | 70% | 0.698 | S | S | * | * | -177.7 | 129.3 | 98.4 | -94.9 | 179.2 | 24.2 | 0 | 0 | 114.8 | |||||
| 388 | L | 24.3 | Very low | 34.2 | Very low | 168 Ų | 168 | 120.4 Ų | 120.4 | 88% | 0.88 | 73% | 0.726 | S | S | * | * | trans | 25.7 | 131.2 | 146.7 | -78.2 | 91.2 | 0 | 0 | 0 | 122.4 | ||||
| 389 | G | 23.5 | Very low | 32.6 | Very low | 77 Ų | 77 | 121.7 Ų | 121.7 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | trans | 151.1 | 99.3 | 132.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 390 | A | 25.3 | Very low | 31 | Very low | 109 Ų | 109 | 125.9 Ų | 125.9 | 90% | 0.901 | 77% | 0.765 | S | S | * | * | trans | 72.4 | 120.2 | 149.4 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 391 | G | 21.4 | Very low | 29.9 | Very low | 72 Ų | 72 | 129.7 Ų | 129.7 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | trans | -90 | -154.2 | 160.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 392 | P | 38.5 | Very low | 29.6 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | cis | -137.8 | -171.5 | -13.6 | 29.6 | -5 | 0 | 0 | 0 | 114.6 | ||||
| 393 | V | 27.8 | Very low | 28.9 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 70% | 0.697 | 80% | 0.801 | S | S | * | * | trans | 90.5 | 112.3 | 152.9 | -154.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 394 | H | 29.3 | Very low | 28.7 | Very low | 167 Ų | 167 | 126.9 Ų | 126.9 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | -179.7 | 151.2 | 88.6 | -123.6 | -29 | 0 | 0 | 0 | 113.2 | |||||
| 395 | D | 25.3 | Very low | 28.8 | Very low | 129 Ų | 129 | 131 Ų | 131 | 69% | 0.69 | 81% | 0.808 | S | S | * | * | trans | -51.7 | 155.9 | 175.3 | -53.1 | -78.1 | 0 | 0 | 0 | 115.6 | ||||
| 396 | V | 26.8 | Very low | 28.7 | Very low | 131 Ų | 131 | 129.4 Ų | 129.4 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | -176.4 | 112.2 | 115 | 170 | 0 | 0 | 0 | 0 | 108.5 | P398 | V396-P398 HydrophobicContact CG1-CG 4.47Š| |||
| 397 | T | 32.4 | Very low | 28.9 | Very low | 131 Ų | 131 | 128.5 Ų | 128.5 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -72.9 | 145.4 | 152.5 | 36 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 398 | P | 32.3 | Very low | 28.8 | Very low | 120 Ų | 120 | 126.9 Ų | 126.9 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | -140.7 | 125.4 | 119.1 | 15.6 | 6.4 | 0 | 0 | 0 | 113.8 | V396 | V396-P398 HydrophobicContact CG1-CG 4.47Š| |||
| 399 | A | 28.5 | Very low | 29.1 | Very low | 89 Ų | 89 | 123.1 Ų | 123.1 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | -76.4 | 168.2 | 144.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 400 | E | 29 | Very low | 29.5 | Very low | 188 Ų | 188 | 127 Ų | 127 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | trans | 94.3 | 99.6 | 170.5 | -57.9 | -172.2 | 157.6 | 0 | 0 | 117.4 | ||||
| 401 | L | 29.8 | Very low | 29.8 | Very low | 173 Ų | 173 | 126.6 Ų | 126.6 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | -154.6 | 99.6 | 115.3 | -128.4 | 141.3 | 0 | 0 | 0 | 110.6 | |||||
| 402 | L | 34.3 | Very low | 30.2 | Very low | 179 Ų | 179 | 132.3 Ų | 132.3 | 94% | 0.937 | 79% | 0.791 | S | S | * | * | trans | -103.5 | 145.7 | 160 | -82.5 | 169.1 | 0 | 0 | 0 | 108.5 | ||||
| 403 | G | 27.5 | Very low | 29.9 | Very low | 73 Ų | 73 | 135.1 Ų | 135.1 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | 135.4 | 97.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 404 | G | 27.7 | Very low | 30.1 | Very low | 82 Ų | 82 | 137.5 Ų | 137.5 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | 106.6 | 148.1 | 76.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | |||||
| 405 | D | 28.6 | Very low | 30 | Very low | 155 Ų | 155 | 132.6 Ų | 132.6 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | cis | -157.8 | 168.2 | -3.8 | -160.1 | -0.9 | 0 | 0 | 0 | 105.1 | ||||
| 406 | S | 34.1 | Very low | 30.2 | Very low | 90 Ų | 90 | 134.5 Ų | 134.5 | 63% | 0.629 | 81% | 0.811 | S | S | * | * | trans | -7 | 137.2 | 164.2 | 59.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 407 | D | 30.2 | Very low | 30.5 | Very low | 153 Ų | 153 | 134 Ų | 134 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | 163.2 | 154.8 | 85.3 | -146.3 | 1.7 | 0 | 0 | 0 | 112.4 | |||||
| 408 | D | 27.9 | Very low | 30.5 | Very low | 142 Ų | 142 | 132.2 Ų | 132.2 | 76% | 0.759 | 81% | 0.809 | S | S | * | * | trans | 79.5 | 158.5 | 151.1 | -141 | 16 | 0 | 0 | 0 | 122.5 | ||||
| 409 | S | 31.5 | Very low | 30.5 | Very low | 89 Ų | 89 | 136 Ų | 136 | 62% | 0.622 | 82% | 0.816 | S | S | * | * | trans | -121.4 | 175.4 | -134.3 | 48.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 410 | D | 30.2 | Very low | 30.5 | Very low | 158 Ų | 158 | 141.3 Ų | 141.3 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | trans | 56.3 | 120.3 | 161.7 | -80.2 | -10.3 | 0 | 0 | 0 | 120.9 | ||||
| 411 | A | 32.4 | Very low | 30.7 | Very low | 101 Ų | 101 | 144.4 Ų | 144.4 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | trans | -156.9 | 106.4 | 138.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 412 | E | 30.5 | Very low | 30.7 | Very low | 193 Ų | 193 | 138.9 Ų | 138.9 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | trans | -54.6 | 148 | 158.6 | -67.1 | -173.3 | 124.8 | 0 | 0 | 111.5 | ||||
| 413 | L | 32.6 | Very low | 31.2 | Very low | 180 Ų | 180 | 135.9 Ų | 135.9 | 94% | 0.942 | 80% | 0.803 | S | S | * | * | trans | -110.5 | 106.8 | 172.4 | -167.3 | 80.8 | 0 | 0 | 0 | 108.5 | ||||
| 414 | D | 31.4 | Very low | 31.5 | Very low | 165 Ų | 165 | 139.9 Ų | 139.9 | 88% | 0.882 | 81% | 0.807 | S | S | * | * | trans | -116.3 | 146.9 | 169.7 | -159.5 | 11.4 | 0 | 0 | 0 | 110.5 | ||||
| 415 | G | 27.7 | Very low | 31.9 | Very low | 64 Ų | 64 | 141.7 Ų | 141.7 | 66% | 0.66 | 81% | 0.807 | S | S | * | * | trans | 139.1 | 80.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 416 | L | 28.3 | Very low | 32.2 | Very low | 168 Ų | 168 | 139.5 Ų | 139.5 | 88% | 0.88 | 81% | 0.811 | S | S | * | * | trans | -120.8 | 145.6 | 144 | -76.1 | 179.5 | 0 | 0 | 0 | 109.9 | ||||
| 417 | P | 33.1 | Very low | 32.2 | Very low | 122 Ų | 122 | 138 Ų | 138 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | trans | -86.6 | 145.5 | -164.4 | 25.1 | -14.5 | 0 | 0 | 0 | 112.8 | ||||
| 418 | A | 32.3 | Very low | 32.9 | Very low | 93 Ų | 93 | 136 Ų | 136 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -75.8 | 129.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 419 | E | 33.6 | Very low | 33.7 | Very low | 198 Ų | 198 | 135.2 Ų | 135.2 | 93% | 0.925 | 79% | 0.787 | S | S | * | * | trans | -174.5 | 101.2 | 144.6 | -107 | 177.7 | -160.1 | 0 | 0 | 109.9 | ||||
| 420 | F | 27.9 | Very low | 34.4 | Very low | 202 Ų | 202 | 134.8 Ų | 134.8 | 89% | 0.886 | 79% | 0.789 | S | S | * | * | -176.2 | 115.5 | 128.6 | -160.4 | -107.9 | 0 | 0 | 0 | 109.4 | |||||
| 421 | R | 33.8 | Very low | 35.2 | Very low | 252 Ų | 252 | 134.8 Ų | 134.8 | 95% | 0.951 | 78% | 0.784 | S | S | * | * | trans | -109.4 | 124.4 | 172.7 | -176.2 | 172.9 | -170.3 | 159.6 | 4.3 | 108.9 | ||||
| 422 | G | 28.3 | Very low | 36.1 | Very low | 57 Ų | 57 | 138.2 Ų | 138.2 | 59% | 0.588 | 78% | 0.775 | S | S | * | * | trans | -170.9 | 144.2 | 166 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 423 | P | 44.6 | Very low | 37.3 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | trans | -106.6 | 167.4 | -139.6 | 38.4 | -30.6 | 0 | 0 | 0 | 115.5 | ||||
| 424 | D | 35.6 | Very low | 38.7 | Very low | 157 Ų | 157 | 134.4 Ų | 134.4 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | trans | 79.5 | 86 | 159.9 | -57.3 | -19.2 | 0 | 0 | 0 | 119.2 | ||||
| 425 | S | 34.9 | Very low | 40.5 | Very low | 121 Ų | 121 | 129.7 Ų | 129.7 | 85% | 0.846 | 74% | 0.737 | S | S | * | * | trans | -143.8 | 111.7 | 134.2 | 47.9 | 0 | 0 | 0 | 0 | 109.1 | S427 | S425-S427 PolarHBondContact O-N 2.9Š| ||
| 426 | A | 35.5 | Very low | 43.2 | Very low | 109 Ų | 109 | 130.7 Ų | 130.7 | 90% | 0.901 | 73% | 0.73 | S | S | * | * | trans | -59.7 | 119.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 427 | S | 34.6 | Very low | 45.6 | Very low | 57 Ų | 57 | 131.4 Ų | 131.4 | 40% | 0.399 | 72% | 0.722 | S | S | . | * | trans | -71.6 | 141.5 | 172.3 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | S425 E429 | S425-S427 PolarHBondContact O-N 2.9Å; S427-E429 WeakPolarHBondContact CB-OE2 3.32Å; S427-E429 PolarHBondContact O-N 3.33Å; S427-E429 WeakPolarHBondContact OG-CB 3.33Å; S427-E429 WeakPolarHBondContact OG-CG 3.24Å; S427-E429 PolarHBondContact OG-N 3.09Å; S427-E429 PolarHBondContact OG-OE2 3.09Å | ||
| 428 | P | 44.4 | Very low | 48 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 72% | 0.721 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | 27.3 | 172.2 | 36.5 | -36.2 | 0 | 0 | 0 | 111.9 | ||
| 429 | E | 45 | Very low | 50.6 | Low | 126 Ų | 126 | 131.7 Ų | 131.7 | 59% | 0.589 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -22.8 | 178.4 | -75.7 | 165.6 | 153.9 | 0 | 0 | 111.9 | S427 Q431 R432 | S427-E429 WeakPolarHBondContact CB-OE2 3.32Å; S427-E429 PolarHBondContact O-N 3.33Å; S427-E429 WeakPolarHBondContact OG-CB 3.33Å; S427-E429 WeakPolarHBondContact OG-CG 3.24Å; S427-E429 PolarHBondContact OG-N 3.09Å; S427-E429 PolarHBondContact OG-OE2 3.09Å; E429-Q431 PolarHBondContact O-N 3.4Å; E429-Q431 VanDerWaalsContact O-N 3.11Å; E429-R432 PolarHBondContact O-N 3.42Å |
| 430 | A | 44.8 | Very low | 53.2 | Low | 81 Ų | 81 | 126.3 Ų | 126.3 | 67% | 0.669 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -3.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 431 | Q | 48.8 | Very low | 56 | Low | 158 Ų | 158 | 119.5 Ų | 119.5 | 74% | 0.738 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | 1.7 | 175.3 | -97.5 | 143.5 | -26.9 | 0 | 0 | 113.9 | E429 | E429-Q431 PolarHBondContact O-N 3.4Å; E429-Q431 VanDerWaalsContact O-N 3.11Å |
| 432 | R | 51.3 | Low | 58.6 | Low | 172 Ų | 172 | 113.2 Ų | 113.2 | 65% | 0.649 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -84.5 | -19.8 | 173.7 | -74.2 | -177.4 | 174.1 | 171.6 | 0.6 | 113.2 | E429 | E429-R432 PolarHBondContact O-N 3.42Š|
| 433 | D | 55 | Low | 61.5 | Low | 143 Ų | 143 | 114 Ų | 114 | 77% | 0.765 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -10.3 | -170.6 | -68.3 | -16.2 | 0 | 0 | 0 | 114.4 | ||
| 434 | D | 62 | Low | 63.4 | Low | 151 Ų | 151 | 117 Ų | 117 | 81% | 0.807 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | 2.5 | 177 | -77.6 | -18.2 | 0 | 0 | 0 | 113.8 | ||
| 435 | L | 69.5 | Low | 66 | Low | 66 Ų | 66 | 113.4 Ų | 113.4 | 35% | 0.346 | 60% | 0.599 | S | S | . | * | trans | -82.3 | 126.3 | -179.8 | -69.1 | 163.6 | 0 | 0 | 0 | 110.3 | E439 | L435-E439 HydrophobicContact CB-CB 4.39Å; L435-E439 HydrophobicContact CD2-CB 4.1Å | ||
| 436 | T | 83.1 | Confident | 68.5 | Low | 84 Ų | 84 | 113.8 Ų | 113.8 | 52% | 0.515 | 59% | 0.587 | S | S | . | * | trans | -61.5 | 148.1 | 174.6 | -46.3 | 0 | 0 | 0 | 0 | 109 | E438 E439 L440 | T436-E438 HydrophobicContact CG2-CB 4.42Å; T436-E438 PolarHBondContact O-N 2.99Å; T436-E439 PolarHBondContact N-OE2 3.49Å; T436-E439 WeakPolarHBondContact O-CA 3.5Å; T436-E439 WeakPolarHBondContact O-CB 3.41Å; T436-E439 PolarHBondContact O-N 3.49Å; T436-E439 PolarHBondContact OG1-OE2 3.35Å; T436-L440 PolarHBondContact O-N 3.03Å | ||
| 437 | Y | 78.7 | Confident | 70.8 | Confident | 184 Ų | 184 | 113 Ų | 113 | 72% | 0.722 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -48.7 | -39.6 | 178.3 | 177.2 | -99.4 | 0 | 0 | 0 | 112.7 | E439 L440 V441 | Y437-E439 VanDerWaalsContact C-N 3.34Å; Y437-E439 PolarHBondContact O-N 2.94Å; Y437-L440 PolarHBondContact O-N 2.93Å; Y437-V441 HydrophobicContact CD1-CG2 4.13Å; Y437-V441 HydrophobicContact CD2-CG2 4.43Å; Y437-V441 HydrophobicContact CE1-CG2 3.74Å; Y437-V441 HydrophobicContact CE2-CG2 4.07Å; Y437-V441 HydrophobicContact CG-CG2 4.46Å; Y437-V441 WeakPolarHBondContact O-CB 3.25Å; Y437-V441 VanDerWaalsContact O-CG2 3.25Å; Y437-V441 WeakPolarHBondContact O-CG2 3.46Å; Y437-V441 PolarHBondContact O-N 2.91Å |
| 438 | E | 84.8 | Confident | 73.2 | Confident | 126 Ų | 126 | 116 Ų | 116 | 59% | 0.589 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -55.7 | -42 | 172.2 | -73.5 | -91.2 | 152.3 | 0 | 0 | 113.6 | T436 K442 | T436-E438 HydrophobicContact CG2-CB 4.42Å; T436-E438 PolarHBondContact O-N 2.99Å; E438-K442 VanDerWaalsContact O-CG 3.27Å; E438-K442 WeakPolarHBondContact O-CG 3.25Å; E438-K442 PolarHBondContact O-N 2.99Å |
| 439 | E | 85.6 | Confident | 75.1 | Confident | 94 Ų | 94 | 113.7 Ų | 113.7 | 44% | 0.439 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -76.2 | -36.1 | -179.2 | -64.6 | 172.3 | 147.1 | 0 | 0 | 111.3 | L435 T436 Y437 K442 L443 | L435-E439 HydrophobicContact CB-CB 4.39Å; L435-E439 HydrophobicContact CD2-CB 4.1Å; T436-E439 PolarHBondContact N-OE2 3.49Å; T436-E439 WeakPolarHBondContact O-CA 3.5Å; T436-E439 WeakPolarHBondContact O-CB 3.41Å; T436-E439 PolarHBondContact O-N 3.49Å; T436-E439 PolarHBondContact OG1-OE2 3.35Å; Y437-E439 VanDerWaalsContact C-N 3.34Å; Y437-E439 PolarHBondContact O-N 2.94Å; E439-K442 PolarHBondContact O-N 3.36Å; E439-L443 WeakPolarHBondContact O-CB 3.06Å; E439-L443 PolarHBondContact O-N 3.36Å |
| 440 | L | 88.1 | Confident | 76.9 | Confident | 85 Ų | 85 | 112.1 Ų | 112.1 | 45% | 0.445 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.3 | -40.7 | 174.5 | -171.1 | 66.2 | 0 | 0 | 0 | 111.7 | T436 Y437 L443 R444 | T436-L440 PolarHBondContact O-N 3.03Å; Y437-L440 PolarHBondContact O-N 2.93Å; L440-L443 PolarHBondContact O-N 3.22Å; L440-R444 WeakPolarHBondContact O-CB 3.4Å; L440-R444 PolarHBondContact O-N 3.28Å |
| 441 | V | 87.6 | Confident | 78.4 | Confident | 59 Ų | 59 | 115.1 Ų | 115.1 | 36% | 0.358 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.3 | -44.8 | 175 | 170.5 | 0 | 0 | 0 | 0 | 110.5 | Y437 L443 R444 V445 | Y437-V441 HydrophobicContact CD1-CG2 4.13Å; Y437-V441 HydrophobicContact CD2-CG2 4.43Å; Y437-V441 HydrophobicContact CE1-CG2 3.74Å; Y437-V441 HydrophobicContact CE2-CG2 4.07Å; Y437-V441 HydrophobicContact CG-CG2 4.46Å; Y437-V441 WeakPolarHBondContact O-CB 3.25Å; Y437-V441 VanDerWaalsContact O-CG2 3.25Å; Y437-V441 WeakPolarHBondContact O-CG2 3.46Å; Y437-V441 PolarHBondContact O-N 2.91Å; V441-L443 PolarHBondContact O-N 3.48Å; V441-R444 PolarHBondContact O-N 2.86Å; V441-V445 HydrophobicContact CG1-CG2 4.25Å; V441-V445 WeakPolarHBondContact O-CB 3.24Å; V441-V445 VanDerWaalsContact O-CG2 3.27Å; V441-V445 WeakPolarHBondContact O-CG2 3.46Å; V441-V445 PolarHBondContact O-N 3.42Å |
| 442 | K | 89.4 | Confident | 79.6 | Confident | 121 Ų | 121 | 110 Ų | 110 | 53% | 0.526 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.7 | -47.5 | 175.4 | -76.6 | 171.9 | -173.3 | 172.9 | 0 | 111.7 | E438 E439 R444 V445 E446 | E438-K442 VanDerWaalsContact O-CG 3.27Å; E438-K442 WeakPolarHBondContact O-CG 3.25Å; E438-K442 PolarHBondContact O-N 2.99Å; E439-K442 PolarHBondContact O-N 3.36Å; K442-R444 VanDerWaalsContact C-N 3.3Å; K442-R444 PolarHBondContact O-N 3.35Å; K442-V445 PolarHBondContact O-N 2.99Å; K442-E446 WeakPolarHBondContact O-CB 3.44Å; K442-E446 WeakPolarHBondContact O-CG 3.42Å; K442-E446 PolarHBondContact O-N 3.11Å |
| 443 | L | 88.7 | Confident | 80.3 | Confident | 73 Ų | 73 | 107.1 Ų | 107.1 | 38% | 0.382 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.4 | -36.6 | 179.2 | -168.1 | 142.9 | 0 | 0 | 0 | 112 | E439 L440 V441 Q447 | E439-L443 WeakPolarHBondContact O-CB 3.06Å; E439-L443 PolarHBondContact O-N 3.36Å; L440-L443 PolarHBondContact O-N 3.22Å; V441-L443 PolarHBondContact O-N 3.48Å; L443-Q447 HydrophobicContact CD2-CG 4.44Å; L443-Q447 WeakPolarHBondContact O-CB 3.32Å; L443-Q447 VanDerWaalsContact O-CG 3.28Å; L443-Q447 WeakPolarHBondContact O-CG 3.47Å; L443-Q447 PolarHBondContact O-N 2.95Å |
| 444 | R | 83.2 | Confident | 80.7 | Confident | 179 Ų | 179 | 102.1 Ų | 102.1 | 68% | 0.675 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -72.9 | -37.7 | 176.8 | -163.8 | 67.6 | 176.5 | -163.8 | -0.2 | 112.7 | L440 V441 K442 Q447 L448 | L440-R444 WeakPolarHBondContact O-CB 3.4Å; L440-R444 PolarHBondContact O-N 3.28Å; V441-R444 PolarHBondContact O-N 2.86Å; K442-R444 VanDerWaalsContact C-N 3.3Å; K442-R444 PolarHBondContact O-N 3.35Å; R444-Q447 PolarHBondContact O-N 3.5Å; R444-L448 WeakPolarHBondContact O-CB 3.44Å; R444-L448 PolarHBondContact O-N 3.27Å |
| 445 | V | 90.9 | Very high | 80.6 | Confident | 82 Ų | 82 | 104.8 Ų | 104.8 | 50% | 0.497 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.8 | -43 | 174 | 170.5 | 0 | 0 | 0 | 0 | 110.3 | V441 K442 L448 V449 | V441-V445 HydrophobicContact CG1-CG2 4.25Å; V441-V445 WeakPolarHBondContact O-CB 3.24Å; V441-V445 VanDerWaalsContact O-CG2 3.27Å; V441-V445 WeakPolarHBondContact O-CG2 3.46Å; V441-V445 PolarHBondContact O-N 3.42Å; K442-V445 PolarHBondContact O-N 2.99Å; V445-L448 PolarHBondContact O-N 2.98Å; V445-V449 HydrophobicContact CG1-CG2 4.36Å; V445-V449 WeakPolarHBondContact O-CB 3.39Å; V445-V449 VanDerWaalsContact O-CG2 3.29Å; V445-V449 WeakPolarHBondContact O-CG2 3.23Å; V445-V449 PolarHBondContact O-N 3.43Å |
| 446 | E | 87.9 | Confident | 79.9 | Confident | 129 Ų | 129 | 106.4 Ų | 106.4 | 60% | 0.603 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.1 | -43.8 | 174.7 | -75.8 | 176.2 | -176.5 | 0 | 0 | 111.5 | K442 L448 V449 V450 | K442-E446 WeakPolarHBondContact O-CB 3.44Å; K442-E446 WeakPolarHBondContact O-CG 3.42Å; K442-E446 PolarHBondContact O-N 3.11Å; E446-L448 VanDerWaalsContact C-N 3.32Å; E446-L448 PolarHBondContact O-N 3.26Å; E446-V449 PolarHBondContact O-N 3.32Å; E446-V450 WeakPolarHBondContact O-CB 3.28Å; E446-V450 VanDerWaalsContact O-CG2 3.26Å; E446-V450 WeakPolarHBondContact O-CG2 3.32Å; E446-V450 PolarHBondContact O-N 3.5Å |
| 447 | Q | 84 | Confident | 78.8 | Confident | 92 Ų | 92 | 109.3 Ų | 109.3 | 43% | 0.43 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61 | -39.5 | 172.6 | -79.3 | 177 | -9.2 | 0 | 0 | 112.6 | L443 R444 H451 | L443-Q447 HydrophobicContact CD2-CG 4.44Å; L443-Q447 WeakPolarHBondContact O-CB 3.32Å; L443-Q447 VanDerWaalsContact O-CG 3.28Å; L443-Q447 WeakPolarHBondContact O-CG 3.47Å; L443-Q447 PolarHBondContact O-N 2.95Å; R444-Q447 PolarHBondContact O-N 3.5Å; Q447-H451 WeakPolarHBondContact O-CB 3.44Å; Q447-H451 PolarHBondContact O-N 3.46Å |
| 448 | L | 84.6 | Confident | 77.9 | Confident | 121 Ų | 121 | 104.1 Ų | 104.1 | 63% | 0.634 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69 | -39.3 | 177 | -175.4 | 131.8 | 0 | 0 | 0 | 111.8 | R444 V445 E446 H451 S452 | R444-L448 WeakPolarHBondContact O-CB 3.44Å; R444-L448 PolarHBondContact O-N 3.27Å; V445-L448 PolarHBondContact O-N 2.98Å; E446-L448 VanDerWaalsContact C-N 3.32Å; E446-L448 PolarHBondContact O-N 3.26Å; L448-H451 PolarHBondContact O-N 2.92Å; L448-S452 WeakPolarHBondContact O-CB 3.43Å; L448-S452 PolarHBondContact O-N 2.91Å; L448-S452 PolarHBondContact O-OG 2.91Å |
| 449 | V | 83.8 | Confident | 77.6 | Confident | 62 Ų | 62 | 101.3 Ų | 101.3 | 38% | 0.376 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.4 | -47.4 | 174.3 | 169.6 | 0 | 0 | 0 | 0 | 110 | V445 E446 H451 S452 Q453 | V445-V449 HydrophobicContact CG1-CG2 4.36Å; V445-V449 WeakPolarHBondContact O-CB 3.39Å; V445-V449 VanDerWaalsContact O-CG2 3.29Å; V445-V449 WeakPolarHBondContact O-CG2 3.23Å; V445-V449 PolarHBondContact O-N 3.43Å; E446-V449 PolarHBondContact O-N 3.32Å; V449-H451 PolarHBondContact O-N 2.93Å; V449-S452 WeakPolarHBondContact CA-OG 3.39Å; V449-S452 PolarHBondContact O-N 3.45Å; V449-S452 PolarHBondContact O-OG 3.24Å; V449-Q453 VanDerWaalsContact O-CG 3.3Å; V449-Q453 WeakPolarHBondContact O-CG 3.26Å; V449-Q453 PolarHBondContact O-N 3.24Å |
| 450 | V | 82.8 | Confident | 77.1 | Confident | 93 Ų | 93 | 99.9 Ų | 99.9 | 56% | 0.564 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.2 | -41 | 178 | 172.2 | 0 | 0 | 0 | 0 | 111.8 | E446 Q453 | E446-V450 WeakPolarHBondContact O-CB 3.28Å; E446-V450 VanDerWaalsContact O-CG2 3.26Å; E446-V450 WeakPolarHBondContact O-CG2 3.32Å; E446-V450 PolarHBondContact O-N 3.5Å; V450-Q453 PolarHBondContact O-N 3.25Å |
| 451 | H | 76.5 | Confident | 76.8 | Confident | 144 Ų | 144 | 101 Ų | 101 | 67% | 0.667 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.9 | -41.6 | 171.9 | -93.9 | -168 | 0 | 0 | 0 | 112.1 | Q447 L448 V449 Q453 G454 Y455 | Q447-H451 WeakPolarHBondContact O-CB 3.44Å; Q447-H451 PolarHBondContact O-N 3.46Å; L448-H451 PolarHBondContact O-N 2.92Å; V449-H451 PolarHBondContact O-N 2.93Å; H451-Q453 VanDerWaalsContact C-N 3.26Å; H451-Q453 PolarHBondContact O-N 2.83Å; H451-G454 PolarHBondContact O-N 2.99Å; H451-Y455 WeakPolarHBondContact O-CD2 3.27Å |
| 452 | S | 73.3 | Confident | 76.6 | Confident | 51 Ų | 51 | 100.1 Ų | 100.1 | 36% | 0.357 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.9 | -29.2 | 178.6 | 74.9 | 0 | 0 | 0 | 0 | 112.6 | L448 V449 G454 Y455 T456 | L448-S452 WeakPolarHBondContact O-CB 3.43Å; L448-S452 PolarHBondContact O-N 2.91Å; L448-S452 PolarHBondContact O-OG 2.91Å; V449-S452 WeakPolarHBondContact CA-OG 3.39Å; V449-S452 PolarHBondContact O-N 3.45Å; V449-S452 PolarHBondContact O-OG 3.24Å; S452-G454 PolarHBondContact O-N 2.9Å; S452-Y455 WeakPolarHBondContact O-CA 3.44Å; S452-Y455 PolarHBondContact O-N 3.41Å; S452-T456 PolarHBondContact O-N 2.83Å; S452-T456 PolarHBondContact O-OG1 3.07Å |
| 453 | Q | 67.7 | Low | 76.4 | Confident | 111 Ų | 111 | 100.7 Ų | 100.7 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.5 | -30.9 | 177 | -79.5 | 174.2 | 12.7 | 0 | 0 | 112.8 | V449 V450 H451 Y455 T456 Q457 | V449-Q453 VanDerWaalsContact O-CG 3.3Å; V449-Q453 WeakPolarHBondContact O-CG 3.26Å; V449-Q453 PolarHBondContact O-N 3.24Å; V450-Q453 PolarHBondContact O-N 3.25Å; H451-Q453 VanDerWaalsContact C-N 3.26Å; H451-Q453 PolarHBondContact O-N 2.83Å; Q453-Y455 VanDerWaalsContact C-N 3.32Å; Q453-T456 VanDerWaalsContact CA-OG1 3.22Å; Q453-T456 WeakPolarHBondContact CA-OG1 3.28Å; Q453-T456 PolarHBondContact O-N 2.8Å; Q453-T456 PolarHBondContact O-OG1 3.43Å; Q453-T456 VanDerWaalsContact O-OG1 3.05Å; Q453-Q457 PolarHBondContact O-N 3.12Å |
| 454 | G | 63.3 | Low | 76.6 | Confident | 38 Ų | 38 | 105 Ų | 105 | 39% | 0.392 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.3 | -30.1 | 172 | 0 | 0 | 0 | 0 | 0 | 113.7 | H451 S452 Q457 | H451-G454 PolarHBondContact O-N 2.99Å; S452-G454 PolarHBondContact O-N 2.9Å; G454-Q457 WeakPolarHBondContact O-CG 3.45Å |
| 455 | Y | 58.7 | Low | 77 | Confident | 206 Ų | 206 | 99.3 Ų | 99.3 | 81% | 0.808 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -86.6 | -22.5 | 176.9 | -61.7 | -85.1 | 0 | 0 | 0 | 113.1 | H451 S452 Q453 | H451-Y455 WeakPolarHBondContact O-CD2 3.27Å; S452-Y455 WeakPolarHBondContact O-CA 3.44Å; S452-Y455 PolarHBondContact O-N 3.41Å; Q453-Y455 VanDerWaalsContact C-N 3.32Å |
| 456 | T | 56.2 | Low | 77 | Confident | 100 Ų | 100 | 101.2 Ų | 101.2 | 61% | 0.613 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | 10.8 | 169 | 49.9 | 0 | 0 | 0 | 0 | 113.3 | S452 Q453 E458 | S452-T456 PolarHBondContact O-N 2.83Å; S452-T456 PolarHBondContact O-OG1 3.07Å; Q453-T456 VanDerWaalsContact CA-OG1 3.22Å; Q453-T456 WeakPolarHBondContact CA-OG1 3.28Å; Q453-T456 PolarHBondContact O-N 2.8Å; Q453-T456 PolarHBondContact O-OG1 3.43Å; Q453-T456 VanDerWaalsContact O-OG1 3.05Å; T456-E458 PolarHBondContact O-N 3.35Å |
| 457 | Q | 59.8 | Low | 77.3 | Confident | 145 Ų | 145 | 99.2 Ų | 99.2 | 68% | 0.678 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -63.2 | 108.8 | 166.6 | -70.5 | -171.5 | 43 | 0 | 0 | 107.6 | Q453 G454 S459 | Q453-Q457 PolarHBondContact O-N 3.12Å; G454-Q457 WeakPolarHBondContact O-CG 3.45Å; Q457-S459 PolarHBondContact O-N 3.43Å |
| 458 | E | 59.7 | Low | 77.8 | Confident | 75 Ų | 75 | 102.1 Ų | 102.1 | 35% | 0.35 | 51% | 0.514 | S | S | . | . | trans | -50 | 104.9 | 176.9 | -67.5 | -176.9 | 166.6 | 0 | 0 | 108.9 | T456 S462 R463 R466 | T456-E458 PolarHBondContact O-N 3.35Å; E458-S462 VanDerWaalsContact CA-OG 3.29Å; E458-S462 WeakPolarHBondContact CA-OG 3.32Å; E458-S462 WeakPolarHBondContact CB-OG 3.48Å; E458-R463 HydrophobicContact CB-CG 4Å; E458-R463 PolarHBondContact O-NE 2.85Å; E458-R463 VanDerWaalsContact O-NE 3.13Å; E458-R463 PolarHBondContact O-NH2 3.06Å; E458-R463 WeakPolarHBondContact OE2-CG 3.14Å; E458-R466 IonicContact OE1-CZ 3.13Å; E458-R466 IonicContact OE1-NH1 2.68Å; E458-R466 PolarHBondContact OE1-NH1 3.22Å; E458-R466 IonicContact OE1-NH2 2.79Å; E458-R466 PolarHBondContact OE1-NH2 2.99Å; E458-R466 IonicContact OE2-NH1 3.65Å | ||
| 459 | S | 77.8 | Confident | 78.2 | Confident | 67 Ų | 67 | 99.5 Ų | 99.5 | 47% | 0.469 | 50% | 0.498 | S | S | . | . | trans | -53.1 | 146.4 | 177 | 70 | 0 | 0 | 0 | 0 | 108.3 | Q457 L461 S462 R463 | Q457-S459 PolarHBondContact O-N 3.43Å; S459-L461 CarbonylContact O-C 3.59Å; S459-L461 PolarHBondContact O-N 3.15Å; S459-S462 PolarHBondContact N-OG 2.88Å; S459-S462 PolarHBondContact O-N 3.19Å; S459-S462 PolarHBondContact O-OG 3.46Å; S459-S462 PolarHBondContact OG-N 3.46Å; S459-S462 VanDerWaalsContact OG-N 3.13Å; S459-R463 PolarHBondContact O-N 3.36Å; S459-R463 VanDerWaalsContact O-N 3.16Å | ||
| 460 | A | 75.3 | Confident | 78.7 | Confident | 64 Ų | 64 | 101 Ų | 101 | 53% | 0.529 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -56.9 | -16.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R464 | A460-R464 WeakPolarHBondContact O-CG 3.28Å; A460-R464 PolarHBondContact O-NE 2.94Å |
| 461 | L | 81.4 | Confident | 79.3 | Confident | 108 Ų | 108 | 103.7 Ų | 103.7 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -76.1 | -48.6 | 169 | -176.3 | 63.3 | 0 | 0 | 0 | 111.9 | S459 R463 R464 V465 | S459-L461 CarbonylContact O-C 3.59Å; S459-L461 PolarHBondContact O-N 3.15Å; L461-R463 VanDerWaalsContact C-N 3.31Å; L461-R463 PolarHBondContact O-N 3.35Å; L461-R464 PolarHBondContact O-N 2.77Å; L461-R464 VanDerWaalsContact O-N 3.13Å; L461-V465 HydrophobicContact CD1-CG2 4.29Å; L461-V465 HydrophobicContact CG-CG2 4.32Å; L461-V465 VanDerWaalsContact O-CG2 3.32Å; L461-V465 WeakPolarHBondContact O-CG2 3.11Å; L461-V465 PolarHBondContact O-N 3.15Å |
| 462 | S | 84.2 | Confident | 80.1 | Confident | 42 Ų | 42 | 99.9 Ų | 99.9 | 29% | 0.294 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.2 | -38.4 | 178.9 | 67.7 | 0 | 0 | 0 | 0 | 113.2 | E458 S459 V465 R466 | E458-S462 VanDerWaalsContact CA-OG 3.29Å; E458-S462 WeakPolarHBondContact CA-OG 3.32Å; E458-S462 WeakPolarHBondContact CB-OG 3.48Å; S459-S462 PolarHBondContact N-OG 2.88Å; S459-S462 PolarHBondContact O-N 3.19Å; S459-S462 PolarHBondContact O-OG 3.46Å; S459-S462 PolarHBondContact OG-N 3.46Å; S459-S462 VanDerWaalsContact OG-N 3.13Å; S462-V465 PolarHBondContact O-N 2.78Å; S462-R466 WeakPolarHBondContact O-CB 2.99Å; S462-R466 PolarHBondContact O-N 3.32Å |
| 463 | R | 85.8 | Confident | 81.1 | Confident | 133 Ų | 133 | 104.8 Ų | 104.8 | 50% | 0.502 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.5 | -45.9 | 173.3 | -81.5 | -179.5 | -100.1 | 166.8 | -9.5 | 112 | E458 S459 L461 V465 R466 D467 | E458-R463 HydrophobicContact CB-CG 4Å; E458-R463 PolarHBondContact O-NE 2.85Å; E458-R463 VanDerWaalsContact O-NE 3.13Å; E458-R463 PolarHBondContact O-NH2 3.06Å; E458-R463 WeakPolarHBondContact OE2-CG 3.14Å; S459-R463 PolarHBondContact O-N 3.36Å; S459-R463 VanDerWaalsContact O-N 3.16Å; L461-R463 VanDerWaalsContact C-N 3.31Å; L461-R463 PolarHBondContact O-N 3.35Å; R463-V465 VanDerWaalsContact C-N 3.34Å; R463-V465 PolarHBondContact O-N 3.46Å; R463-R466 PolarHBondContact O-N 3.02Å; R463-D467 WeakPolarHBondContact O-CB 3.23Å; R463-D467 PolarHBondContact O-N 2.92Å |
| 464 | R | 91.3 | Very high | 82.3 | Confident | 164 Ų | 164 | 102.7 Ų | 102.7 | 62% | 0.619 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.7 | -37.5 | 176.6 | -79.3 | -174.4 | -74.9 | 164.4 | -6.6 | 113 | A460 L461 W468 | A460-R464 WeakPolarHBondContact O-CG 3.28Å; A460-R464 PolarHBondContact O-NE 2.94Å; L461-R464 PolarHBondContact O-N 2.77Å; L461-R464 VanDerWaalsContact O-N 3.13Å; R464-W468 VanDerWaalsContact O-CB 3.3Å; R464-W468 WeakPolarHBondContact O-CB 3.01Å; R464-W468 PolarHBondContact O-N 2.97Å |
| 465 | V | 92.8 | Very high | 83.6 | Confident | 59 Ų | 59 | 106 Ų | 106 | 36% | 0.358 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.5 | -44.9 | 175.3 | 171.8 | 0 | 0 | 0 | 0 | 109.7 | L461 S462 R463 W468 E469 | L461-V465 HydrophobicContact CD1-CG2 4.29Å; L461-V465 HydrophobicContact CG-CG2 4.32Å; L461-V465 VanDerWaalsContact O-CG2 3.32Å; L461-V465 WeakPolarHBondContact O-CG2 3.11Å; L461-V465 PolarHBondContact O-N 3.15Å; S462-V465 PolarHBondContact O-N 2.78Å; R463-V465 VanDerWaalsContact C-N 3.34Å; R463-V465 PolarHBondContact O-N 3.46Å; V465-W468 PolarHBondContact O-N 3.35Å; V465-E469 HydrophobicContact CG1-CG 4.37Å; V465-E469 WeakPolarHBondContact CG1-OE1 3.45Å; V465-E469 WeakPolarHBondContact O-CB 3.36Å; V465-E469 WeakPolarHBondContact O-CG 3.31Å; V465-E469 PolarHBondContact O-N 3.09Å |
| 466 | R | 90.7 | Very high | 85.1 | Confident | 121 Ų | 121 | 101 Ų | 101 | 46% | 0.457 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 175.1 | -166.8 | -179.3 | -66.6 | 163.6 | 4.7 | 112.1 | E458 S462 R463 W468 E469 D470 | E458-R466 IonicContact OE1-CZ 3.13Å; E458-R466 IonicContact OE1-NH1 2.68Å; E458-R466 PolarHBondContact OE1-NH1 3.22Å; E458-R466 IonicContact OE1-NH2 2.79Å; E458-R466 PolarHBondContact OE1-NH2 2.99Å; E458-R466 IonicContact OE2-NH1 3.65Å; S462-R466 WeakPolarHBondContact O-CB 2.99Å; S462-R466 PolarHBondContact O-N 3.32Å; R463-R466 PolarHBondContact O-N 3.02Å; R466-W468 PolarHBondContact O-N 3.49Å; R466-E469 PolarHBondContact O-N 2.83Å; R466-E469 VanDerWaalsContact O-N 3.15Å; R466-D470 WeakPolarHBondContact O-CB 3.42Å; R466-D470 VanDerWaalsContact O-CG 3.24Å; R466-D470 PolarHBondContact O-N 3.16Å |
| 467 | D | 93.9 | Very high | 86.7 | Confident | 88 Ų | 88 | 98.4 Ų | 98.4 | 47% | 0.471 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.1 | -32.8 | 176.1 | -67.5 | -21.3 | 0 | 0 | 0 | 112.4 | R463 K471 | R463-D467 WeakPolarHBondContact O-CB 3.23Å; R463-D467 PolarHBondContact O-N 2.92Å; D467-K471 WeakPolarHBondContact O-CD 3.42Å; D467-K471 WeakPolarHBondContact O-CG 3.45Å; D467-K471 PolarHBondContact O-N 2.97Å |
| 468 | W | 93.9 | Very high | 87.9 | Confident | 153 Ų | 153 | 96.1 Ų | 96.1 | 58% | 0.58 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -75.8 | -43.7 | 175 | 173.6 | 82.3 | 0 | 0 | 0 | 111.6 | R464 V465 R466 D470 K471 I472 | R464-W468 VanDerWaalsContact O-CB 3.3Å; R464-W468 WeakPolarHBondContact O-CB 3.01Å; R464-W468 PolarHBondContact O-N 2.97Å; V465-W468 PolarHBondContact O-N 3.35Å; R466-W468 PolarHBondContact O-N 3.49Å; W468-D470 VanDerWaalsContact C-N 3.31Å; W468-D470 PolarHBondContact O-N 3.31Å; W468-K471 WeakPolarHBondContact O-CB 3.47Å; W468-K471 PolarHBondContact O-N 2.66Å; W468-K471 VanDerWaalsContact O-N 3.12Å; W468-I472 HydrophobicContact CD2-CG1 4.14Å; W468-I472 HydrophobicContact CG-CG1 4.4Å; W468-I472 HydrophobicContact CZ2-CB 4.42Å; W468-I472 HydrophobicContact CZ2-CG1 3.86Å; W468-I472 HydrophobicContact CZ2-CG2 4.41Å; W468-I472 WeakPolarHBondContact O-CG1 3.43Å; W468-I472 PolarHBondContact O-N 3.05Å |
| 469 | E | 93.9 | Very high | 89 | Confident | 65 Ų | 65 | 98 Ų | 98 | 30% | 0.304 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.4 | -43.3 | 174.9 | -76.9 | -178 | -159.5 | 0 | 0 | 111.2 | V465 R466 K471 I472 R473 | V465-E469 HydrophobicContact CG1-CG 4.37Å; V465-E469 WeakPolarHBondContact CG1-OE1 3.45Å; V465-E469 WeakPolarHBondContact O-CB 3.36Å; V465-E469 WeakPolarHBondContact O-CG 3.31Å; V465-E469 PolarHBondContact O-N 3.09Å; R466-E469 PolarHBondContact O-N 2.83Å; R466-E469 VanDerWaalsContact O-N 3.15Å; E469-K471 PolarHBondContact O-N 3.37Å; E469-I472 PolarHBondContact O-N 3.01Å; E469-R473 VanDerWaalsContact O-CB 3.27Å; E469-R473 WeakPolarHBondContact O-CB 3.35Å; E469-R473 VanDerWaalsContact O-CG 3.25Å; E469-R473 WeakPolarHBondContact O-CG 3.48Å; E469-R473 PolarHBondContact O-N 3.44Å; E469-R473 IonicContact OE2-CZ 3.64Å; E469-R473 IonicContact OE2-NE 3.87Å; E469-R473 IonicContact OE2-NH2 2.77Å; E469-R473 PolarHBondContact OE2-NH2 3.17Å |
| 470 | D | 94.4 | Very high | 89.4 | Confident | 94 Ų | 94 | 102.6 Ų | 102.6 | 50% | 0.503 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.3 | -28.4 | 177.9 | -70.5 | -19.1 | 0 | 0 | 0 | 112 | R466 W468 P474 | R466-D470 WeakPolarHBondContact O-CB 3.42Å; R466-D470 VanDerWaalsContact O-CG 3.24Å; R466-D470 PolarHBondContact O-N 3.16Å; W468-D470 VanDerWaalsContact C-N 3.31Å; W468-D470 PolarHBondContact O-N 3.31Å; D470-P474 WeakPolarHBondContact O-CD 3.32Å |
| 471 | K | 94.1 | Very high | 89.9 | Confident | 149 Ų | 149 | 106.2 Ų | 106.2 | 65% | 0.648 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -80.3 | -38.7 | 173.9 | -72.5 | 169.6 | -171.5 | 173.8 | 0 | 113 | D467 W468 E469 P474 | D467-K471 WeakPolarHBondContact O-CD 3.42Å; D467-K471 WeakPolarHBondContact O-CG 3.45Å; D467-K471 PolarHBondContact O-N 2.97Å; W468-K471 WeakPolarHBondContact O-CB 3.47Å; W468-K471 PolarHBondContact O-N 2.66Å; W468-K471 VanDerWaalsContact O-N 3.12Å; E469-K471 PolarHBondContact O-N 3.37Å; K471-P474 WeakPolarHBondContact O-CG 3.5Å |
| 472 | I | 94.6 | Very high | 89.8 | Confident | 64 Ų | 64 | 106.5 Ų | 106.5 | 33% | 0.328 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -86.7 | -35.9 | -173.4 | -68.9 | -60.7 | 0 | 0 | 0 | 112.7 | W468 E469 E475 L476 | W468-I472 HydrophobicContact CD2-CG1 4.14Å; W468-I472 HydrophobicContact CG-CG1 4.4Å; W468-I472 HydrophobicContact CZ2-CB 4.42Å; W468-I472 HydrophobicContact CZ2-CG1 3.86Å; W468-I472 HydrophobicContact CZ2-CG2 4.41Å; W468-I472 WeakPolarHBondContact O-CG1 3.43Å; W468-I472 PolarHBondContact O-N 3.05Å; E469-I472 PolarHBondContact O-N 3.01Å; I472-E475 PolarHBondContact O-N 3.12Å; I472-E475 VanDerWaalsContact O-N 3.11Å; I472-L476 WeakPolarHBondContact O-CB 3.21Å; I472-L476 PolarHBondContact O-N 3.06Å |
| 473 | R | 93.4 | Very high | 89.6 | Confident | 154 Ų | 154 | 108.8 Ų | 108.8 | 58% | 0.581 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -50.7 | -46.9 | 178.3 | -80.8 | -179.9 | -168.3 | -175.8 | 7.8 | 114.2 | E469 L476 A477 | E469-R473 VanDerWaalsContact O-CB 3.27Å; E469-R473 WeakPolarHBondContact O-CB 3.35Å; E469-R473 VanDerWaalsContact O-CG 3.25Å; E469-R473 WeakPolarHBondContact O-CG 3.48Å; E469-R473 PolarHBondContact O-N 3.44Å; E469-R473 IonicContact OE2-CZ 3.64Å; E469-R473 IonicContact OE2-NE 3.87Å; E469-R473 IonicContact OE2-NH2 2.77Å; E469-R473 PolarHBondContact OE2-NH2 3.17Å; R473-L476 PolarHBondContact O-N 3.25Å; R473-A477 WeakPolarHBondContact O-CB 3.35Å; R473-A477 PolarHBondContact O-N 3.29Å |
| 474 | P | 93.3 | Very high | 89.5 | Confident | 68 Ų | 68 | 108.2 Ų | 108.2 | 44% | 0.442 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.2 | -39.1 | 178.4 | 24.9 | -33.9 | 0 | 0 | 0 | 112.4 | D470 K471 L478 | D470-P474 WeakPolarHBondContact O-CD 3.32Å; K471-P474 WeakPolarHBondContact O-CG 3.5Å; P474-L478 WeakPolarHBondContact O-CB 3.33Å; P474-L478 VanDerWaalsContact O-CG 3.25Å; P474-L478 WeakPolarHBondContact O-CG 3.26Å; P474-L478 PolarHBondContact O-N 2.8Å |
| 475 | E | 90.1 | Very high | 89.2 | Confident | 107 Ų | 107 | 104.2 Ų | 104.2 | 50% | 0.5 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.1 | -38.2 | 176.6 | -69.8 | -65.3 | 157.9 | 0 | 0 | 112.1 | I472 L478 Q479 | I472-E475 PolarHBondContact O-N 3.12Å; I472-E475 VanDerWaalsContact O-N 3.11Å; E475-L478 PolarHBondContact O-N 3.01Å; E475-Q479 WeakPolarHBondContact O-CG 3.46Å; E475-Q479 PolarHBondContact O-N 3.02Å; E475-Q479 VanDerWaalsContact O-N 3.1Å |
| 476 | L | 90.3 | Very high | 89 | Confident | 100 Ų | 100 | 105.3 Ų | 105.3 | 52% | 0.524 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.2 | -43.8 | 178.7 | -153.4 | 76.7 | 0 | 0 | 0 | 111.1 | I472 R473 L478 Q479 E480 | I472-L476 WeakPolarHBondContact O-CB 3.21Å; I472-L476 PolarHBondContact O-N 3.06Å; R473-L476 PolarHBondContact O-N 3.25Å; L476-L478 VanDerWaalsContact C-N 3.32Å; L476-L478 PolarHBondContact O-N 2.92Å; L476-Q479 PolarHBondContact O-N 3.36Å; L476-E480 WeakPolarHBondContact O-CB 3.39Å; L476-E480 PolarHBondContact O-N 2.82Å |
| 477 | A | 90.1 | Very high | 88.8 | Confident | 46 Ų | 46 | 101.8 Ų | 101.8 | 38% | 0.38 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | R473 Q479 E480 D481 | R473-A477 WeakPolarHBondContact O-CB 3.35Å; R473-A477 PolarHBondContact O-N 3.29Å; A477-Q479 PolarHBondContact O-N 2.96Å; A477-E480 PolarHBondContact O-N 3.1Å; A477-D481 WeakPolarHBondContact O-CB 3.38Å; A477-D481 PolarHBondContact O-N 2.83Å |
| 478 | L | 86 | Confident | 88.3 | Confident | 97 Ų | 97 | 103.5 Ų | 103.5 | 51% | 0.508 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65 | -19.3 | 174.5 | -75.3 | 175.7 | 0 | 0 | 0 | 114.1 | P474 E475 L476 R482 | P474-L478 WeakPolarHBondContact O-CB 3.33Å; P474-L478 VanDerWaalsContact O-CG 3.25Å; P474-L478 WeakPolarHBondContact O-CG 3.26Å; P474-L478 PolarHBondContact O-N 2.8Å; E475-L478 PolarHBondContact O-N 3.01Å; L476-L478 VanDerWaalsContact C-N 3.32Å; L476-L478 PolarHBondContact O-N 2.92Å; L478-R482 WeakPolarHBondContact O-CG 3.32Å; L478-R482 PolarHBondContact O-NE 3.38Å |
| 479 | Q | 82 | Confident | 88 | Confident | 115 Ų | 115 | 98.5 Ų | 98.5 | 54% | 0.537 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -90.8 | -36.1 | 173.2 | -73.4 | -175.3 | 7.2 | 0 | 0 | 112.2 | E475 L476 A477 R482 | E475-Q479 WeakPolarHBondContact O-CG 3.46Å; E475-Q479 PolarHBondContact O-N 3.02Å; E475-Q479 VanDerWaalsContact O-N 3.1Å; L476-Q479 PolarHBondContact O-N 3.36Å; A477-Q479 PolarHBondContact O-N 2.96Å; Q479-R482 VanDerWaalsContact O-CB 3.29Å; Q479-R482 WeakPolarHBondContact O-CB 3.47Å; Q479-R482 PolarHBondContact O-N 3.16Å; Q479-R482 VanDerWaalsContact O-N 3.16Å |
| 480 | E | 85.3 | Confident | 87.8 | Confident | 163 Ų | 163 | 96.7 Ų | 96.7 | 76% | 0.762 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -68.1 | -35.8 | 177.3 | -169.9 | 169.9 | -166.5 | 0 | 0 | 112 | L476 A477 R482 | L476-E480 WeakPolarHBondContact O-CB 3.39Å; L476-E480 PolarHBondContact O-N 2.82Å; A477-E480 PolarHBondContact O-N 3.1Å; E480-R482 PolarHBondContact O-N 3.21Å; E480-R482 VanDerWaalsContact O-N 3.13Å |
| 481 | D | 86.3 | Confident | 87.4 | Confident | 140 Ų | 140 | 92.6 Ų | 92.6 | 75% | 0.749 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -9.9 | 172.2 | -80.2 | -13.7 | 0 | 0 | 0 | 113.2 | A477 | A477-D481 WeakPolarHBondContact O-CB 3.38Å; A477-D481 PolarHBondContact O-N 2.83Å |
| 482 | R | 79.6 | Confident | 86.9 | Confident | 114 Ų | 114 | 92.1 Ų | 92.1 | 43% | 0.43 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -80.6 | 139.1 | -176 | -60.8 | -176.3 | -178.1 | -172.2 | -3.6 | 111.2 | L478 Q479 E480 | L478-R482 WeakPolarHBondContact O-CG 3.32Å; L478-R482 PolarHBondContact O-NE 3.38Å; Q479-R482 VanDerWaalsContact O-CB 3.29Å; Q479-R482 WeakPolarHBondContact O-CB 3.47Å; Q479-R482 PolarHBondContact O-N 3.16Å; Q479-R482 VanDerWaalsContact O-N 3.16Å; E480-R482 PolarHBondContact O-N 3.21Å; E480-R482 VanDerWaalsContact O-N 3.13Å |
| 483 | P | 80.4 | Confident | 86.5 | Confident | 90 Ų | 90 | 94 Ų | 94 | 58% | 0.584 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 145.2 | 174.2 | 26.9 | -33.4 | 0 | 0 | 0 | 110.6 | ||
| 484 | P | 82.3 | Confident | 86.2 | Confident | 121 Ų | 121 | 87.2 Ų | 87.2 | 79% | 0.786 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 143.8 | 176.6 | 25 | -33.7 | 0 | 0 | 0 | 110.6 | D486 | P484-D486 PolarHBondContact O-N 3.1Š|
| 485 | F | 86 | Confident | 85.7 | Confident | 81 Ų | 81 | 87.7 Ų | 87.7 | 36% | 0.355 | 45% | 0.453 | S | S | . | . | trans | -77.7 | 108.7 | 177.9 | 174 | -115.2 | 0 | 0 | 0 | 110.5 | I487 Y490 K521 L524 | F485-I487 HydrophobicContact CE1-CB 3.96Å; F485-I487 HydrophobicContact CE1-CD1 4.12Å; F485-I487 HydrophobicContact CE1-CG1 4.09Å; F485-I487 HydrophobicContact CZ-CB 4.01Å; F485-I487 HydrophobicContact CZ-CD1 4.25Å; F485-I487 HydrophobicContact CZ-CG1 3.88Å; F485-Y490 AromaticContact CD2-CD2 3.89Å; F485-Y490 HydrophobicContact CD2-CD2 3.89Å; F485-Y490 AromaticContact CD2-CE2 3.89Å; F485-Y490 HydrophobicContact CD2-CE2 3.89Å; F485-Y490 AromaticContact CE2-CD2 3.83Å; F485-Y490 HydrophobicContact CE2-CD2 3.83Å; F485-Y490 HydrophobicContact CE2-CE2 4.24Å; F485-Y490 HydrophobicContact CE2-CG 4.14Å; F485-K521 HydrophobicContact CD2-CB 4.02Å; F485-K521 HydrophobicContact CD2-CD 3.85Å; F485-K521 HydrophobicContact CD2-CG 3.74Å; F485-K521 HydrophobicContact CE2-CB 3.69Å; F485-K521 HydrophobicContact CE2-CD 4.38Å; F485-K521 HydrophobicContact CE2-CG 3.88Å; F485-L524 HydrophobicContact CE1-CD2 3.78Å; F485-L524 HydrophobicContact CZ-CD2 3.95Å; F485-L524 HydrophobicContact CZ-CG 4.49Å | ||
| 486 | D | 87.4 | Confident | 85.5 | Confident | 82 Ų | 82 | 87.5 Ų | 87.5 | 44% | 0.439 | 46% | 0.459 | S | S | . | . | trans | -102.4 | 104 | 172.3 | -178.4 | -5.1 | 0 | 0 | 0 | 111.1 | P484 H488 A489 Y490 | P484-D486 PolarHBondContact O-N 3.1Å; D486-H488 PolarHBondContact O-N 3.44Å; D486-H488 VanDerWaalsContact O-N 3.16Å; D486-H488 IonicContact OD1-CD2 3.99Å; D486-H488 PolarHBondContact OD1-N 3.24Å; D486-A489 HydrophobicContact CB-CB 3.99Å; D486-A489 PolarHBondContact O-N 2.98Å; D486-A489 PolarHBondContact OD1-N 3.47Å; D486-Y490 VanDerWaalsContact O-CD2 3.26Å; D486-Y490 WeakPolarHBondContact O-CD2 3.39Å; D486-Y490 PolarHBondContact O-N 3.25Å; D486-Y490 VanDerWaalsContact O-N 3.14Å | ||
| 487 | I | 86.6 | Confident | 85.1 | Confident | 47 Ų | 47 | 85.3 Ų | 85.3 | 24% | 0.241 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -60.6 | -28.5 | -176.5 | -156.7 | 158.8 | 0 | 0 | 0 | 113.2 | F485 G491 A525 Q528 | F485-I487 HydrophobicContact CE1-CB 3.96Å; F485-I487 HydrophobicContact CE1-CD1 4.12Å; F485-I487 HydrophobicContact CE1-CG1 4.09Å; F485-I487 HydrophobicContact CZ-CB 4.01Å; F485-I487 HydrophobicContact CZ-CD1 4.25Å; F485-I487 HydrophobicContact CZ-CG1 3.88Å; I487-G491 PolarHBondContact O-N 2.9Å; I487-A525 HydrophobicContact CG1-CB 4.24Å; I487-Q528 HydrophobicContact CD1-CB 3.8Å; I487-Q528 HydrophobicContact CD1-CG 3.86Å; I487-Q528 HydrophobicContact CG1-CB 4.24Å; I487-Q528 HydrophobicContact CG1-CG 4.31Å |
| 488 | H | 85.3 | Confident | 84.6 | Confident | 124 Ų | 124 | 85.9 Ų | 85.9 | 57% | 0.574 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -78.2 | -44.4 | -178.8 | -63.7 | -69.1 | 0 | 0 | 0 | 111.3 | D486 Y490 G491 E492 | D486-H488 PolarHBondContact O-N 3.44Å; D486-H488 VanDerWaalsContact O-N 3.16Å; D486-H488 IonicContact OD1-CD2 3.99Å; D486-H488 PolarHBondContact OD1-N 3.24Å; H488-Y490 VanDerWaalsContact C-N 3.31Å; H488-Y490 PolarHBondContact O-N 2.91Å; H488-G491 CarbonylContact O-C 3.56Å; H488-G491 WeakPolarHBondContact O-CA 3.29Å; H488-G491 PolarHBondContact O-N 3.3Å; H488-E492 PolarHBondContact O-N 3.29Å |
| 489 | A | 86.9 | Confident | 84.4 | Confident | 48 Ų | 48 | 83.9 Ų | 83.9 | 40% | 0.397 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60 | -40.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D486 E492 R493 | D486-A489 HydrophobicContact CB-CB 3.99Å; D486-A489 PolarHBondContact O-N 2.98Å; D486-A489 PolarHBondContact OD1-N 3.47Å; A489-E492 PolarHBondContact O-N 2.78Å; A489-R493 WeakPolarHBondContact O-CB 3.42Å; A489-R493 PolarHBondContact O-N 3.27Å |
| 490 | Y | 88.8 | Confident | 84 | Confident | 27 Ų | 27 | 81.5 Ų | 81.5 | 11% | 0.106 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -67.8 | -35.8 | 173.8 | -82 | -91.7 | 0 | 0 | 0 | 112.2 | F485 D486 H488 R493 I494 E518 K521 L522 | F485-Y490 AromaticContact CD2-CD2 3.89Å; F485-Y490 HydrophobicContact CD2-CD2 3.89Å; F485-Y490 AromaticContact CD2-CE2 3.89Å; F485-Y490 HydrophobicContact CD2-CE2 3.89Å; F485-Y490 AromaticContact CE2-CD2 3.83Å; F485-Y490 HydrophobicContact CE2-CD2 3.83Å; F485-Y490 HydrophobicContact CE2-CE2 4.24Å; F485-Y490 HydrophobicContact CE2-CG 4.14Å; D486-Y490 VanDerWaalsContact O-CD2 3.26Å; D486-Y490 WeakPolarHBondContact O-CD2 3.39Å; D486-Y490 PolarHBondContact O-N 3.25Å; D486-Y490 VanDerWaalsContact O-N 3.14Å; H488-Y490 VanDerWaalsContact C-N 3.31Å; H488-Y490 PolarHBondContact O-N 2.91Å; Y490-R493 PolarHBondContact O-N 3.17Å; Y490-I494 WeakPolarHBondContact O-CD1 3.4Å; Y490-I494 VanDerWaalsContact O-CG1 3.28Å; Y490-I494 WeakPolarHBondContact O-CG1 3.45Å; Y490-I494 PolarHBondContact O-N 3.25Å; Y490-I494 VanDerWaalsContact O-N 3.09Å; Y490-E518 WeakPolarHBondContact CE1-OE2 3.42Å; Y490-E518 VanDerWaalsContact CZ-OE2 3.3Å; Y490-E518 PolarHBondContact OH-OE1 2.79Å; Y490-E518 VanDerWaalsContact OH-OE1 3.06Å; Y490-E518 PolarHBondContact OH-OE2 2.97Å; Y490-K521 HydrophobicContact CD1-CB 4.24Å; Y490-K521 HydrophobicContact CE1-CB 3.98Å; Y490-K521 HydrophobicContact CE1-CD 4.24Å; Y490-K521 HydrophobicContact CE2-CD 4.31Å; Y490-K521 WeakPolarHBondContact OH-CD 3.42Å; Y490-L522 HydrophobicContact CD1-CD2 3.72Å; Y490-L522 HydrophobicContact CD1-CG 3.95Å; Y490-L522 HydrophobicContact CE1-CG 4.42Å |
| 491 | G | 86.3 | Confident | 83.4 | Confident | 7 Ų | 7 | 81.2 Ų | 81.2 | 7% | 0.072 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -60.6 | -48.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I487 H488 R493 I494 V495 | I487-G491 PolarHBondContact O-N 2.9Å; H488-G491 CarbonylContact O-C 3.56Å; H488-G491 WeakPolarHBondContact O-CA 3.29Å; H488-G491 PolarHBondContact O-N 3.3Å; G491-R493 VanDerWaalsContact C-N 3.32Å; G491-R493 PolarHBondContact O-N 3.39Å; G491-I494 WeakPolarHBondContact O-CB 3.33Å; G491-I494 PolarHBondContact O-N 3.28Å; G491-I494 VanDerWaalsContact O-N 3.09Å; G491-V495 WeakPolarHBondContact O-CG2 3.38Å; G491-V495 PolarHBondContact O-N 2.92Å |
| 492 | E | 85.1 | Confident | 82.5 | Confident | 139 Ų | 139 | 78.2 Ų | 78.2 | 65% | 0.65 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61.6 | -39.5 | 175.6 | -72.3 | -177.2 | -178.9 | 0 | 0 | 112.1 | H488 A489 I494 V495 T496 | H488-E492 PolarHBondContact O-N 3.29Å; A489-E492 PolarHBondContact O-N 2.78Å; E492-I494 PolarHBondContact O-N 3.49Å; E492-V495 PolarHBondContact O-N 3.46Å; E492-T496 WeakPolarHBondContact O-CB 3.32Å; E492-T496 VanDerWaalsContact O-CG2 3.28Å; E492-T496 WeakPolarHBondContact O-CG2 3.41Å; E492-T496 PolarHBondContact O-N 2.93Å; E492-T496 PolarHBondContact O-OG1 3.46Å |
| 493 | R | 85.9 | Confident | 82.1 | Confident | 104 Ų | 104 | 76.1 Ų | 76.1 | 39% | 0.392 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.6 | -34.7 | 174.3 | -166.8 | 174 | -179.9 | -167.6 | -1.5 | 112.2 | A489 Y490 G491 T496 Q497 | A489-R493 WeakPolarHBondContact O-CB 3.42Å; A489-R493 PolarHBondContact O-N 3.27Å; Y490-R493 PolarHBondContact O-N 3.17Å; G491-R493 VanDerWaalsContact C-N 3.32Å; G491-R493 PolarHBondContact O-N 3.39Å; R493-T496 WeakPolarHBondContact CA-OG1 3.44Å; R493-T496 PolarHBondContact O-OG1 2.99Å; R493-Q497 WeakPolarHBondContact O-CB 3.43Å; R493-Q497 VanDerWaalsContact O-CG 3.27Å; R493-Q497 WeakPolarHBondContact O-CG 3.19Å; R493-Q497 PolarHBondContact O-N 3.28Å |
| 494 | I | 85.9 | Confident | 81.8 | Confident | 12 Ų | 12 | 83.6 Ų | 83.6 | 6% | 0.062 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -72.2 | -45.1 | 175 | -66 | 158.5 | 0 | 0 | 0 | 110.5 | Y490 G491 E492 T496 Q497 L498 L522 A525 | Y490-I494 WeakPolarHBondContact O-CD1 3.4Å; Y490-I494 VanDerWaalsContact O-CG1 3.28Å; Y490-I494 WeakPolarHBondContact O-CG1 3.45Å; Y490-I494 PolarHBondContact O-N 3.25Å; Y490-I494 VanDerWaalsContact O-N 3.09Å; G491-I494 WeakPolarHBondContact O-CB 3.33Å; G491-I494 PolarHBondContact O-N 3.28Å; G491-I494 VanDerWaalsContact O-N 3.09Å; E492-I494 PolarHBondContact O-N 3.49Å; I494-T496 PolarHBondContact O-N 3.25Å; I494-Q497 PolarHBondContact O-N 3.39Å; I494-L498 HydrophobicContact CG2-CD1 3.93Å; I494-L498 HydrophobicContact CG2-CG 4.44Å; I494-L498 WeakPolarHBondContact O-CG 3.36Å; I494-L498 PolarHBondContact O-N 2.85Å; I494-L522 HydrophobicContact CD1-CB 4.49Å; I494-L522 HydrophobicContact CD1-CD2 3.91Å; I494-L522 VanDerWaalsContact CD1-O 3.28Å; I494-L522 WeakPolarHBondContact CD1-O 3.4Å; I494-L522 HydrophobicContact CG1-CD2 3.59Å; I494-A525 HydrophobicContact CD1-CB 3.9Å |
| 495 | V | 83.3 | Confident | 81.6 | Confident | 77 Ų | 77 | 84.8 Ų | 84.8 | 47% | 0.467 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 179 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | G491 E492 Q497 L498 G499 L529 | G491-V495 WeakPolarHBondContact O-CG2 3.38Å; G491-V495 PolarHBondContact O-N 2.92Å; E492-V495 PolarHBondContact O-N 3.46Å; V495-Q497 VanDerWaalsContact C-N 3.32Å; V495-Q497 PolarHBondContact O-N 2.99Å; V495-L498 PolarHBondContact O-N 3.33Å; V495-L498 VanDerWaalsContact O-N 3.16Å; V495-G499 PolarHBondContact O-N 3.33Å; V495-L529 HydrophobicContact CG2-CD1 3.6Å |
| 496 | T | 85.1 | Confident | 81.4 | Confident | 103 Ų | 103 | 84.5 Ų | 84.5 | 63% | 0.632 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.1 | -37.6 | 175.7 | 53 | 0 | 0 | 0 | 0 | 112.3 | E492 R493 I494 G499 | E492-T496 WeakPolarHBondContact O-CB 3.32Å; E492-T496 VanDerWaalsContact O-CG2 3.28Å; E492-T496 WeakPolarHBondContact O-CG2 3.41Å; E492-T496 PolarHBondContact O-N 2.93Å; E492-T496 PolarHBondContact O-OG1 3.46Å; R493-T496 WeakPolarHBondContact CA-OG1 3.44Å; R493-T496 PolarHBondContact O-OG1 2.99Å; I494-T496 PolarHBondContact O-N 3.25Å; T496-G499 PolarHBondContact O-N 2.76Å |
| 497 | Q | 82.4 | Confident | 81.1 | Confident | 55 Ų | 55 | 84.4 Ų | 84.4 | 26% | 0.257 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -71.3 | -29.2 | 174.3 | -76.7 | -166.5 | 20.7 | 0 | 0 | 114 | R493 I494 V495 G499 R505 I510 | R493-Q497 WeakPolarHBondContact O-CB 3.43Å; R493-Q497 VanDerWaalsContact O-CG 3.27Å; R493-Q497 WeakPolarHBondContact O-CG 3.19Å; R493-Q497 PolarHBondContact O-N 3.28Å; I494-Q497 PolarHBondContact O-N 3.39Å; V495-Q497 VanDerWaalsContact C-N 3.32Å; V495-Q497 PolarHBondContact O-N 2.99Å; Q497-G499 VanDerWaalsContact C-N 3.31Å; Q497-R505 WeakPolarHBondContact O-CD 3.2Å; Q497-R505 PolarHBondContact O-NE 3.17Å; Q497-R505 VanDerWaalsContact O-NE 3.09Å; Q497-R505 PolarHBondContact O-NH1 3.25Å; Q497-I510 VanDerWaalsContact OE1-CA 3.29Å; Q497-I510 PolarHBondContact OE1-O 2.87Å |
| 498 | L | 80.3 | Confident | 80.9 | Confident | 57 Ų | 57 | 85.8 Ų | 85.8 | 30% | 0.298 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -71.6 | -29.6 | 172.6 | -71.4 | 167.6 | 0 | 0 | 0 | 111.5 | I494 V495 A500 R505 I510 | I494-L498 HydrophobicContact CG2-CD1 3.93Å; I494-L498 HydrophobicContact CG2-CG 4.44Å; I494-L498 WeakPolarHBondContact O-CG 3.36Å; I494-L498 PolarHBondContact O-N 2.85Å; V495-L498 PolarHBondContact O-N 3.33Å; V495-L498 VanDerWaalsContact O-N 3.16Å; L498-A500 PolarHBondContact O-N 3.16Å; L498-R505 HydrophobicContact CD2-CB 4.04Å; L498-R505 HydrophobicContact CD2-CG 4.35Å; L498-I510 HydrophobicContact CD2-CD1 3.99Å; L498-I510 HydrophobicContact CG-CD1 4.39Å |
| 499 | G | 80.9 | Confident | 80.7 | Confident | 56 Ų | 56 | 83.3 Ų | 83.3 | 58% | 0.577 | 48% | 0.484 | S | S | * | . | trans | 84.4 | -92 | 171 | 0 | 0 | 0 | 0 | 0 | 112.2 | V495 T496 Q497 | V495-G499 PolarHBondContact O-N 3.33Å; T496-G499 PolarHBondContact O-N 2.76Å; Q497-G499 VanDerWaalsContact C-N 3.31Å | ||
| 500 | A | 73.8 | Confident | 80.4 | Confident | 64 Ų | 64 | 81.7 Ų | 81.7 | 53% | 0.529 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -111.6 | 154.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L498 G502 C503 | L498-A500 PolarHBondContact O-N 3.16Å; A500-G502 PolarHBondContact O-N 3.4Å; A500-C503 WeakPolarHBondContact O-CB 3.21Å; A500-C503 PolarHBondContact O-N 3.26Å |
| 501 | V | 72.6 | Confident | 80.2 | Confident | 157 Ų | 157 | 81.4 Ų | 81.4 | 95% | 0.952 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 128.9 | 177.2 | -175.6 | 0 | 0 | 0 | 0 | 109.7 | ||
| 502 | G | 67.2 | Low | 79.9 | Confident | 77 Ų | 77 | 91.7 Ų | 91.7 | 79% | 0.794 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94 | -8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | A500 | A500-G502 PolarHBondContact O-N 3.4Š|
| 503 | C | 72.1 | Confident | 79.8 | Confident | 70 Ų | 70 | 88.9 Ų | 88.9 | 47% | 0.473 | 51% | 0.514 | S | S | . | . | trans | -79.6 | 134.6 | 173.6 | -64.9 | 0 | 0 | 0 | 0 | 111.6 | A500 | A500-C503 WeakPolarHBondContact O-CB 3.21Å; A500-C503 PolarHBondContact O-N 3.26Å | ||
| 504 | R | 73.3 | Confident | 79.7 | Confident | 248 Ų | 248 | 86.2 Ų | 86.2 | 94% | 0.936 | 51% | 0.507 | S | S | * | . | trans | -104.1 | 129.2 | 174.1 | -64.2 | -176.2 | -178.9 | -168.2 | -0.2 | 109.9 | ||||
| 505 | R | 78 | Confident | 79.7 | Confident | 145 Ų | 145 | 91.5 Ų | 91.5 | 55% | 0.547 | 54% | 0.536 | S | S | . | . | trans | -126.7 | 146.3 | 170.7 | -61.1 | -170.4 | 177.2 | -150.7 | -3.2 | 109.6 | Q497 L498 I510 | Q497-R505 WeakPolarHBondContact O-CD 3.2Å; Q497-R505 PolarHBondContact O-NE 3.17Å; Q497-R505 VanDerWaalsContact O-NE 3.09Å; Q497-R505 PolarHBondContact O-NH1 3.25Å; L498-R505 HydrophobicContact CD2-CB 4.04Å; L498-R505 HydrophobicContact CD2-CG 4.35Å; R505-I510 HydrophobicContact CB-CD1 4.31Å; R505-I510 HydrophobicContact CB-CG1 4.46Å | ||
| 506 | S | 82.1 | Confident | 79.8 | Confident | 75 Ų | 75 | 94.4 Ų | 94.4 | 52% | 0.524 | 55% | 0.548 | S | S | . | . | trans | -74.6 | 139.5 | 173 | 60.3 | 0 | 0 | 0 | 0 | 110 | A508 S509 I510 | S506-A508 PolarHBondContact O-N 3.38Å; S506-S509 VanDerWaalsContact O-CB 3.31Å; S506-S509 WeakPolarHBondContact O-CB 3.34Å; S506-S509 PolarHBondContact O-N 2.87Å; S506-S509 WeakPolarHBondContact OG-CB 3.5Å; S506-S509 PolarHBondContact OG-N 3.48Å; S506-I510 PolarHBondContact O-N 2.87Å | ||
| 507 | F | 81.5 | Confident | 79.7 | Confident | 80 Ų | 80 | 94.8 Ų | 94.8 | 35% | 0.351 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -57.7 | -36.4 | 176.7 | -176.3 | -102.6 | 0 | 0 | 0 | 111.9 | S509 I510 V511 L523 | F507-S509 PolarHBondContact O-N 2.98Å; F507-I510 WeakPolarHBondContact O-CB 3.21Å; F507-I510 PolarHBondContact O-N 3.3Å; F507-I510 VanDerWaalsContact O-N 3.11Å; F507-V511 HydrophobicContact CD1-CG2 4.03Å; F507-V511 HydrophobicContact CD2-CG2 4.24Å; F507-V511 HydrophobicContact CE1-CB 4.44Å; F507-V511 HydrophobicContact CE1-CG2 3.58Å; F507-V511 HydrophobicContact CE2-CG2 3.81Å; F507-V511 HydrophobicContact CG-CG2 4.34Å; F507-V511 HydrophobicContact CZ-CG2 3.45Å; F507-V511 VanDerWaalsContact CZ-CG2 3.45Å; F507-V511 WeakPolarHBondContact O-CG2 3.35Å; F507-V511 PolarHBondContact O-N 3.38Å; F507-L523 HydrophobicContact CE1-CB 4.43Å; F507-L523 HydrophobicContact CE1-CD1 4.18Å; F507-L523 HydrophobicContact CE2-CB 4.47Å; F507-L523 HydrophobicContact CE2-CD1 4.31Å; F507-L523 HydrophobicContact CZ-CB 3.75Å; F507-L523 HydrophobicContact CZ-CD1 3.92Å; F507-L523 HydrophobicContact CZ-CG 4.43Å |
| 508 | A | 81.9 | Confident | 79.9 | Confident | 77 Ų | 77 | 94 Ų | 94 | 64% | 0.636 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.5 | -26.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S506 R512 | S506-A508 PolarHBondContact O-N 3.38Å; A508-R512 WeakPolarHBondContact O-CB 3.49Å; A508-R512 PolarHBondContact O-N 3.24Å |
| 509 | S | 81.5 | Confident | 80.1 | Confident | 72 Ų | 72 | 92.1 Ų | 92.1 | 50% | 0.503 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -77.1 | -36.1 | 175 | -171.8 | 0 | 0 | 0 | 0 | 111.8 | S506 F507 | S506-S509 VanDerWaalsContact O-CB 3.31Å; S506-S509 WeakPolarHBondContact O-CB 3.34Å; S506-S509 PolarHBondContact O-N 2.87Å; S506-S509 WeakPolarHBondContact OG-CB 3.5Å; S506-S509 PolarHBondContact OG-N 3.48Å; F507-S509 PolarHBondContact O-N 2.98Å |
| 510 | I | 80.9 | Confident | 80.4 | Confident | 14 Ų | 14 | 93.2 Ų | 93.2 | 7% | 0.072 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -69.2 | -38 | 178.1 | -66.6 | 173.2 | 0 | 0 | 0 | 110.9 | Q497 L498 R505 S506 F507 | Q497-I510 VanDerWaalsContact OE1-CA 3.29Å; Q497-I510 PolarHBondContact OE1-O 2.87Å; L498-I510 HydrophobicContact CD2-CD1 3.99Å; L498-I510 HydrophobicContact CG-CD1 4.39Å; R505-I510 HydrophobicContact CB-CD1 4.31Å; R505-I510 HydrophobicContact CB-CG1 4.46Å; S506-I510 PolarHBondContact O-N 2.87Å; F507-I510 WeakPolarHBondContact O-CB 3.21Å; F507-I510 PolarHBondContact O-N 3.3Å; F507-I510 VanDerWaalsContact O-N 3.11Å |
| 511 | V | 84.4 | Confident | 81.1 | Confident | 21 Ų | 21 | 92 Ų | 92 | 13% | 0.127 | 51% | 0.514 | C | S | . | . | S | Bend | trans | -93.4 | -0.9 | -174.9 | 179.3 | 0 | 0 | 0 | 0 | 113.2 | F507 G513 L514 A519 L522 | F507-V511 HydrophobicContact CD1-CG2 4.03Å; F507-V511 HydrophobicContact CD2-CG2 4.24Å; F507-V511 HydrophobicContact CE1-CB 4.44Å; F507-V511 HydrophobicContact CE1-CG2 3.58Å; F507-V511 HydrophobicContact CE2-CG2 3.81Å; F507-V511 HydrophobicContact CG-CG2 4.34Å; F507-V511 HydrophobicContact CZ-CG2 3.45Å; F507-V511 VanDerWaalsContact CZ-CG2 3.45Å; F507-V511 WeakPolarHBondContact O-CG2 3.35Å; F507-V511 PolarHBondContact O-N 3.38Å; V511-G513 PolarHBondContact O-N 3.04Å; V511-G513 VanDerWaalsContact O-N 3.14Å; V511-L514 HydrophobicContact CG1-CB 4.46Å; V511-L514 PolarHBondContact O-N 3.48Å; V511-L514 VanDerWaalsContact O-N 3.14Å; V511-A519 HydrophobicContact CG1-CB 3.27Å; V511-L522 HydrophobicContact CG2-CD1 4.17Å |
| 512 | R | 80.8 | Confident | 81.8 | Confident | 223 Ų | 223 | 84.6 Ų | 84.6 | 84% | 0.842 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 119.3 | -175.9 | -170.4 | -179.3 | 174.2 | 105.8 | 0.6 | 111.2 | A508 | A508-R512 WeakPolarHBondContact O-CB 3.49Å; A508-R512 PolarHBondContact O-N 3.24Å |
| 513 | G | 82.3 | Confident | 82.8 | Confident | 79 Ų | 79 | 84.8 Ų | 84.8 | 81% | 0.814 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.8 | 10.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | V511 | V511-G513 PolarHBondContact O-N 3.04Å; V511-G513 VanDerWaalsContact O-N 3.14Å |
| 514 | L | 83.1 | Confident | 83.6 | Confident | 49 Ų | 49 | 85.9 Ų | 85.9 | 26% | 0.257 | 45% | 0.452 | S | S | . | . | trans | -97.7 | 151.7 | 171.8 | -61.5 | 177.6 | 0 | 0 | 0 | 111.1 | V511 E518 L522 | V511-L514 HydrophobicContact CG1-CB 4.46Å; V511-L514 PolarHBondContact O-N 3.48Å; V511-L514 VanDerWaalsContact O-N 3.14Å; L514-E518 HydrophobicContact CB-CB 4.17Å; L514-L522 HydrophobicContact CD1-CD1 3.21Å | ||
| 515 | D | 85.9 | Confident | 84.3 | Confident | 123 Ų | 123 | 74.1 Ų | 74.1 | 66% | 0.658 | 41% | 0.408 | S | S | * | . | trans | -63.4 | 153 | 174.3 | -67.6 | -24.9 | 0 | 0 | 0 | 111.5 | M517 E518 A519 | D515-M517 PolarHBondContact O-N 2.82Å; D515-M517 VanDerWaalsContact O-N 3.09Å; D515-E518 HydrophobicContact CB-CG 4.47Å; D515-E518 PolarHBondContact O-N 2.83Å; D515-A519 PolarHBondContact O-N 2.86Å | ||
| 516 | N | 85.5 | Confident | 84.7 | Confident | 138 Ų | 138 | 68.4 Ų | 68.4 | 74% | 0.738 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -53.6 | -35.4 | -179.7 | -68 | -19.5 | 0 | 0 | 0 | 112.8 | A519 C520 | N516-A519 WeakPolarHBondContact O-CB 3.41Å; N516-C520 PolarHBondContact O-N 3.29Å; N516-C520 PolarHBondContact O-SG 2.98Å |
| 517 | M | 83.3 | Confident | 84.9 | Confident | 110 Ų | 110 | 69.3 Ų | 69.3 | 54% | 0.542 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -71.2 | -40.3 | 178.1 | -62.4 | -57.8 | -67.1 | 0 | 0 | 112.2 | D515 A519 C520 K521 | D515-M517 PolarHBondContact O-N 2.82Å; D515-M517 VanDerWaalsContact O-N 3.09Å; M517-A519 VanDerWaalsContact C-N 3.33Å; M517-C520 PolarHBondContact O-N 3.21Å; M517-K521 WeakPolarHBondContact O-CG 3.48Å; M517-K521 PolarHBondContact O-N 2.81Å |
| 518 | E | 85.7 | Confident | 85.1 | Confident | 38 Ų | 38 | 69.4 Ų | 69.4 | 18% | 0.178 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -68.3 | -35.6 | 176 | -69.8 | -62.8 | 125 | 0 | 0 | 111.2 | Y490 L514 D515 K521 L522 | Y490-E518 WeakPolarHBondContact CE1-OE2 3.42Å; Y490-E518 VanDerWaalsContact CZ-OE2 3.3Å; Y490-E518 PolarHBondContact OH-OE1 2.79Å; Y490-E518 VanDerWaalsContact OH-OE1 3.06Å; Y490-E518 PolarHBondContact OH-OE2 2.97Å; L514-E518 HydrophobicContact CB-CB 4.17Å; D515-E518 HydrophobicContact CB-CG 4.47Å; D515-E518 PolarHBondContact O-N 2.83Å; E518-K521 PolarHBondContact O-N 3.01Å; E518-K521 IonicContact OE1-NZ 3.73Å; E518-K521 PolarHBondContact OE1-NZ 3.43Å; E518-L522 WeakPolarHBondContact O-CB 3.27Å; E518-L522 WeakPolarHBondContact O-CG 3.31Å; E518-L522 PolarHBondContact O-N 2.74Å |
| 519 | A | 86.1 | Confident | 85 | Confident | 19 Ų | 19 | 68.6 Ų | 68.6 | 16% | 0.157 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.9 | -46.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V511 D515 N516 M517 L522 L523 | V511-A519 HydrophobicContact CG1-CB 3.27Å; D515-A519 PolarHBondContact O-N 2.86Å; N516-A519 WeakPolarHBondContact O-CB 3.41Å; M517-A519 VanDerWaalsContact C-N 3.33Å; A519-L522 PolarHBondContact O-N 3.09Å; A519-L523 WeakPolarHBondContact O-CB 3.38Å; A519-L523 PolarHBondContact O-N 2.82Å |
| 520 | C | 87.1 | Confident | 84.9 | Confident | 79 Ų | 79 | 68.7 Ų | 68.7 | 53% | 0.534 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 177 | -70.2 | 0 | 0 | 0 | 0 | 112.4 | N516 M517 L523 L524 | N516-C520 PolarHBondContact O-N 3.29Å; N516-C520 PolarHBondContact O-SG 2.98Å; M517-C520 PolarHBondContact O-N 3.21Å; C520-L523 WeakPolarHBondContact O-CB 3.28Å; C520-L523 PolarHBondContact O-N 3Å; C520-L524 PolarHBondContact O-N 3.44Å |
| 521 | K | 88.7 | Confident | 84.8 | Confident | 39 Ų | 39 | 72.1 Ų | 72.1 | 17% | 0.17 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 175.3 | -73.9 | 175.7 | -175.6 | 175.5 | 0 | 112.1 | F485 Y490 M517 E518 L523 L524 A525 | F485-K521 HydrophobicContact CD2-CB 4.02Å; F485-K521 HydrophobicContact CD2-CD 3.85Å; F485-K521 HydrophobicContact CD2-CG 3.74Å; F485-K521 HydrophobicContact CE2-CB 3.69Å; F485-K521 HydrophobicContact CE2-CD 4.38Å; F485-K521 HydrophobicContact CE2-CG 3.88Å; Y490-K521 HydrophobicContact CD1-CB 4.24Å; Y490-K521 HydrophobicContact CE1-CB 3.98Å; Y490-K521 HydrophobicContact CE1-CD 4.24Å; Y490-K521 HydrophobicContact CE2-CD 4.31Å; Y490-K521 WeakPolarHBondContact OH-CD 3.42Å; M517-K521 WeakPolarHBondContact O-CG 3.48Å; M517-K521 PolarHBondContact O-N 2.81Å; E518-K521 PolarHBondContact O-N 3.01Å; E518-K521 IonicContact OE1-NZ 3.73Å; E518-K521 PolarHBondContact OE1-NZ 3.43Å; K521-L523 VanDerWaalsContact C-N 3.35Å; K521-L524 PolarHBondContact O-N 3.44Å; K521-A525 WeakPolarHBondContact O-CB 3.3Å; K521-A525 PolarHBondContact O-N 2.81Å |
| 522 | L | 86.2 | Confident | 84.1 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.1 | -38.1 | 174.9 | -76 | 168.3 | 0 | 0 | 0 | 112.1 | Y490 I494 V511 L514 E518 A519 A525 S526 | Y490-L522 HydrophobicContact CD1-CD2 3.72Å; Y490-L522 HydrophobicContact CD1-CG 3.95Å; Y490-L522 HydrophobicContact CE1-CG 4.42Å; I494-L522 HydrophobicContact CD1-CB 4.49Å; I494-L522 HydrophobicContact CD1-CD2 3.91Å; I494-L522 VanDerWaalsContact CD1-O 3.28Å; I494-L522 WeakPolarHBondContact CD1-O 3.4Å; I494-L522 HydrophobicContact CG1-CD2 3.59Å; V511-L522 HydrophobicContact CG2-CD1 4.17Å; L514-L522 HydrophobicContact CD1-CD1 3.21Å; E518-L522 WeakPolarHBondContact O-CB 3.27Å; E518-L522 WeakPolarHBondContact O-CG 3.31Å; E518-L522 PolarHBondContact O-N 2.74Å; A519-L522 PolarHBondContact O-N 3.09Å; L522-A525 PolarHBondContact O-N 3.32Å; L522-S526 VanDerWaalsContact O-CB 3.32Å; L522-S526 WeakPolarHBondContact O-CB 3.31Å; L522-S526 PolarHBondContact O-N 2.97Å; L522-S526 PolarHBondContact O-OG 3.44Å |
| 523 | L | 87.6 | Confident | 83.4 | Confident | 81 Ų | 81 | 69 Ų | 69 | 42% | 0.424 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.7 | -47.5 | 174.4 | -176.1 | 64.5 | 0 | 0 | 0 | 110.7 | F507 A519 C520 K521 A525 S526 L527 | F507-L523 HydrophobicContact CE1-CB 4.43Å; F507-L523 HydrophobicContact CE1-CD1 4.18Å; F507-L523 HydrophobicContact CE2-CB 4.47Å; F507-L523 HydrophobicContact CE2-CD1 4.31Å; F507-L523 HydrophobicContact CZ-CB 3.75Å; F507-L523 HydrophobicContact CZ-CD1 3.92Å; F507-L523 HydrophobicContact CZ-CG 4.43Å; A519-L523 WeakPolarHBondContact O-CB 3.38Å; A519-L523 PolarHBondContact O-N 2.82Å; C520-L523 WeakPolarHBondContact O-CB 3.28Å; C520-L523 PolarHBondContact O-N 3Å; K521-L523 VanDerWaalsContact C-N 3.35Å; L523-A525 PolarHBondContact O-N 2.85Å; L523-S526 PolarHBondContact O-N 2.88Å; L523-S526 PolarHBondContact O-OG 3.12Å; L523-L527 HydrophobicContact CG-CD1 4.43Å; L523-L527 WeakPolarHBondContact O-CG 3.19Å; L523-L527 PolarHBondContact O-N 3.16Å |
| 524 | L | 89.2 | Confident | 82.3 | Confident | 93 Ų | 93 | 72.8 Ų | 72.8 | 49% | 0.487 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 178.7 | -172.9 | 66.4 | 0 | 0 | 0 | 112 | F485 C520 K521 S526 L527 Q528 | F485-L524 HydrophobicContact CE1-CD2 3.78Å; F485-L524 HydrophobicContact CZ-CD2 3.95Å; F485-L524 HydrophobicContact CZ-CG 4.49Å; C520-L524 PolarHBondContact O-N 3.44Å; K521-L524 PolarHBondContact O-N 3.44Å; L524-S526 VanDerWaalsContact C-N 3.31Å; L524-S526 PolarHBondContact O-N 3.49Å; L524-L527 PolarHBondContact O-N 3.46Å; L524-Q528 PolarHBondContact O-N 2.87Å |
| 525 | A | 89.3 | Confident | 81.1 | Confident | 1 Ų | 1 | 76.1 Ų | 76.1 | 1% | 0.008 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.9 | -37.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I487 I494 K521 L522 L523 Q528 L529 | I487-A525 HydrophobicContact CG1-CB 4.24Å; I494-A525 HydrophobicContact CD1-CB 3.9Å; K521-A525 WeakPolarHBondContact O-CB 3.3Å; K521-A525 PolarHBondContact O-N 2.81Å; L522-A525 PolarHBondContact O-N 3.32Å; L523-A525 PolarHBondContact O-N 2.85Å; A525-Q528 PolarHBondContact O-N 3.33Å; A525-L529 WeakPolarHBondContact O-CB 3.46Å; A525-L529 PolarHBondContact O-N 2.97Å |
| 526 | S | 85.9 | Confident | 79.8 | Confident | 26 Ų | 26 | 74.1 Ų | 74.1 | 18% | 0.182 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 176.1 | 77.6 | 0 | 0 | 0 | 0 | 112.6 | L522 L523 L524 L529 V530 | L522-S526 VanDerWaalsContact O-CB 3.32Å; L522-S526 WeakPolarHBondContact O-CB 3.31Å; L522-S526 PolarHBondContact O-N 2.97Å; L522-S526 PolarHBondContact O-OG 3.44Å; L523-S526 PolarHBondContact O-N 2.88Å; L523-S526 PolarHBondContact O-OG 3.12Å; L524-S526 VanDerWaalsContact C-N 3.31Å; L524-S526 PolarHBondContact O-N 3.49Å; S526-L529 PolarHBondContact O-N 3.1Å; S526-V530 WeakPolarHBondContact O-CG2 3.49Å; S526-V530 PolarHBondContact O-N 3.08Å |
| 527 | L | 86.9 | Confident | 78.6 | Confident | 93 Ų | 93 | 72.8 Ų | 72.8 | 49% | 0.487 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.1 | -42.5 | 175.9 | -70.5 | 169.8 | 0 | 0 | 0 | 111 | L523 L524 L529 V530 N531 | L523-L527 HydrophobicContact CG-CD1 4.43Å; L523-L527 WeakPolarHBondContact O-CG 3.19Å; L523-L527 PolarHBondContact O-N 3.16Å; L524-L527 PolarHBondContact O-N 3.46Å; L527-L529 VanDerWaalsContact C-N 3.31Å; L527-L529 PolarHBondContact O-N 3.04Å; L527-V530 PolarHBondContact O-N 3.24Å; L527-N531 PolarHBondContact O-N 2.97Å |
| 528 | Q | 84.7 | Confident | 77.5 | Confident | 82 Ų | 82 | 71 Ų | 71 | 38% | 0.383 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 176.4 | -174.9 | 66 | -11.3 | 0 | 0 | 111.7 | I487 L524 A525 V530 N531 L532 | I487-Q528 HydrophobicContact CD1-CB 3.8Å; I487-Q528 HydrophobicContact CD1-CG 3.86Å; I487-Q528 HydrophobicContact CG1-CB 4.24Å; I487-Q528 HydrophobicContact CG1-CG 4.31Å; L524-Q528 PolarHBondContact O-N 2.87Å; A525-Q528 PolarHBondContact O-N 3.33Å; Q528-V530 VanDerWaalsContact C-N 3.33Å; Q528-V530 PolarHBondContact O-N 2.94Å; Q528-N531 PolarHBondContact O-N 3.48Å; Q528-L532 VanDerWaalsContact O-CB 3.27Å; Q528-L532 WeakPolarHBondContact O-CB 3.46Å; Q528-L532 PolarHBondContact O-N 3.25Å |
| 529 | L | 81 | Confident | 76.1 | Confident | 60 Ų | 60 | 74.3 Ų | 74.3 | 31% | 0.314 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 177.1 | -158.4 | 149.4 | 0 | 0 | 0 | 111.4 | V495 A525 S526 L527 L532 L533 | V495-L529 HydrophobicContact CG2-CD1 3.6Å; A525-L529 WeakPolarHBondContact O-CB 3.46Å; A525-L529 PolarHBondContact O-N 2.97Å; S526-L529 PolarHBondContact O-N 3.1Å; L527-L529 VanDerWaalsContact C-N 3.31Å; L527-L529 PolarHBondContact O-N 3.04Å; L529-L532 PolarHBondContact O-N 2.86Å; L529-L533 VanDerWaalsContact O-CB 3.31Å; L529-L533 WeakPolarHBondContact O-CB 3.42Å; L529-L533 PolarHBondContact O-N 2.83Å |
| 530 | V | 79.3 | Confident | 74.7 | Confident | 74 Ų | 74 | 78.2 Ų | 78.2 | 45% | 0.448 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 174.1 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | S526 L527 Q528 L533 F534 | S526-V530 WeakPolarHBondContact O-CG2 3.49Å; S526-V530 PolarHBondContact O-N 3.08Å; L527-V530 PolarHBondContact O-N 3.24Å; Q528-V530 VanDerWaalsContact C-N 3.33Å; Q528-V530 PolarHBondContact O-N 2.94Å; V530-L533 PolarHBondContact O-N 3.31Å; V530-F534 HydrophobicContact CG1-CD2 3.92Å; V530-F534 HydrophobicContact CG1-CE2 4.29Å; V530-F534 WeakPolarHBondContact O-CB 3.26Å; V530-F534 PolarHBondContact O-N 3.2Å |
| 531 | N | 77.4 | Confident | 73.4 | Confident | 86 Ų | 86 | 81.3 Ų | 81.3 | 46% | 0.46 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.7 | -43.3 | 178.4 | -71.6 | -18.1 | 0 | 0 | 0 | 112.2 | L527 Q528 L533 F534 L535 | L527-N531 PolarHBondContact O-N 2.97Å; Q528-N531 PolarHBondContact O-N 3.48Å; N531-L533 VanDerWaalsContact C-N 3.32Å; N531-F534 PolarHBondContact O-N 2.87Å; N531-L535 WeakPolarHBondContact O-CB 3.07Å; N531-L535 WeakPolarHBondContact O-CG 3.5Å; N531-L535 PolarHBondContact O-N 2.72Å |
| 532 | L | 70.7 | Confident | 71.9 | Confident | 79 Ų | 79 | 84.6 Ų | 84.6 | 41% | 0.414 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.5 | -40.8 | 178.4 | -155.9 | 131 | 0 | 0 | 0 | 110.1 | Q528 L529 L536 | Q528-L532 VanDerWaalsContact O-CB 3.27Å; Q528-L532 WeakPolarHBondContact O-CB 3.46Å; Q528-L532 PolarHBondContact O-N 3.25Å; L529-L532 PolarHBondContact O-N 2.86Å; L532-L536 HydrophobicContact CD2-CD1 3.28Å; L532-L536 HydrophobicContact CG-CD1 3.69Å; L532-L536 WeakPolarHBondContact O-CB 3.49Å; L532-L536 PolarHBondContact O-N 3.45Å |
| 533 | L | 64.6 | Low | 70.6 | Confident | 101 Ų | 101 | 89.8 Ų | 89.8 | 53% | 0.529 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 174.5 | -151.9 | 99.1 | 0 | 0 | 0 | 112.2 | L529 V530 N531 L535 L537 | L529-L533 VanDerWaalsContact O-CB 3.31Å; L529-L533 WeakPolarHBondContact O-CB 3.42Å; L529-L533 PolarHBondContact O-N 2.83Å; V530-L533 PolarHBondContact O-N 3.31Å; N531-L533 VanDerWaalsContact C-N 3.32Å; L533-L535 VanDerWaalsContact C-N 3.35Å; L533-L535 PolarHBondContact O-N 3.1Å; L533-L537 HydrophobicContact CD1-CD1 4.45Å; L533-L537 HydrophobicContact CD2-CD1 3.94Å; L533-L537 HydrophobicContact CG-CD1 3.75Å; L533-L537 VanDerWaalsContact O-CB 3.3Å; L533-L537 WeakPolarHBondContact O-CB 3.07Å; L533-L537 PolarHBondContact O-N 3.22Å |
| 534 | F | 60 | Low | 69.3 | Low | 157 Ų | 157 | 90.6 Ų | 90.6 | 69% | 0.689 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -67.3 | -32.2 | 178.9 | -106.6 | -85 | 0 | 0 | 0 | 113.5 | V530 N531 P538 | V530-F534 HydrophobicContact CG1-CD2 3.92Å; V530-F534 HydrophobicContact CG1-CE2 4.29Å; V530-F534 WeakPolarHBondContact O-CB 3.26Å; V530-F534 PolarHBondContact O-N 3.2Å; N531-F534 PolarHBondContact O-N 2.87Å; F534-P538 WeakPolarHBondContact O-CD 3.25Å; F534-P538 VanDerWaalsContact O-CG 3.25Å; F534-P538 WeakPolarHBondContact O-CG 3.01Å |
| 535 | L | 57.6 | Low | 67.7 | Low | 120 Ų | 120 | 90.5 Ų | 90.5 | 63% | 0.628 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -84.7 | -37.7 | 177.1 | -74 | 165.2 | 0 | 0 | 0 | 112.1 | N531 L533 P538 L539 | N531-L535 WeakPolarHBondContact O-CB 3.07Å; N531-L535 WeakPolarHBondContact O-CG 3.5Å; N531-L535 PolarHBondContact O-N 2.72Å; L533-L535 VanDerWaalsContact C-N 3.35Å; L533-L535 PolarHBondContact O-N 3.1Å; L535-P538 WeakPolarHBondContact O-CD 3.45Å; L535-P538 WeakPolarHBondContact O-CG 3.46Å; L535-L539 WeakPolarHBondContact O-CD1 3.49Å |
| 536 | L | 58.1 | Low | 66.2 | Low | 80 Ų | 80 | 95.9 Ų | 95.9 | 42% | 0.419 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -82.1 | -31.5 | -179.2 | -78.1 | 158.2 | 0 | 0 | 0 | 113.7 | L532 L539 L540 | L532-L536 HydrophobicContact CD2-CD1 3.28Å; L532-L536 HydrophobicContact CG-CD1 3.69Å; L532-L536 WeakPolarHBondContact O-CB 3.49Å; L532-L536 PolarHBondContact O-N 3.45Å; L536-L539 PolarHBondContact O-N 3.42Å; L536-L540 WeakPolarHBondContact O-CA 3.48Å; L536-L540 WeakPolarHBondContact O-CB 3.31Å; L536-L540 PolarHBondContact O-N 3.19Å |
| 537 | L | 62 | Low | 64.8 | Low | 111 Ų | 111 | 101.2 Ų | 101.2 | 58% | 0.581 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -54.8 | -50.2 | 176 | -122.8 | 93 | 0 | 0 | 0 | 112.9 | L533 F541 | L533-L537 HydrophobicContact CD1-CD1 4.45Å; L533-L537 HydrophobicContact CD2-CD1 3.94Å; L533-L537 HydrophobicContact CG-CD1 3.75Å; L533-L537 VanDerWaalsContact O-CB 3.3Å; L533-L537 WeakPolarHBondContact O-CB 3.07Å; L533-L537 PolarHBondContact O-N 3.22Å; L537-F541 WeakPolarHBondContact O-CB 3.19Å; L537-F541 PolarHBondContact O-N 2.73Å |
| 538 | P | 59.4 | Low | 63.1 | Low | 73 Ų | 73 | 103.9 Ų | 103.9 | 47% | 0.474 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -70.2 | -36.1 | 179.3 | 24.9 | -31.6 | 0 | 0 | 0 | 112 | F534 L535 L542 | F534-P538 WeakPolarHBondContact O-CD 3.25Å; F534-P538 VanDerWaalsContact O-CG 3.25Å; F534-P538 WeakPolarHBondContact O-CG 3.01Å; L535-P538 WeakPolarHBondContact O-CD 3.45Å; L535-P538 WeakPolarHBondContact O-CG 3.46Å; P538-L542 WeakPolarHBondContact O-CB 3.14Å; P538-L542 PolarHBondContact O-N 2.94Å |
| 539 | L | 56 | Low | 61.3 | Low | 106 Ų | 106 | 108.8 Ų | 108.8 | 56% | 0.555 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67.8 | -42.3 | 176.6 | -85.4 | 166.1 | 0 | 0 | 0 | 112.5 | L535 L536 L542 L543 | L535-L539 WeakPolarHBondContact O-CD1 3.49Å; L536-L539 PolarHBondContact O-N 3.42Å; L539-L542 PolarHBondContact O-N 2.81Å; L539-L543 WeakPolarHBondContact O-CB 3.16Å; L539-L543 PolarHBondContact O-N 3.04Å |
| 540 | L | 57.4 | Low | 60.3 | Low | 102 Ų | 102 | 111.2 Ų | 111.2 | 53% | 0.534 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -72 | -36.5 | 178.9 | -151.5 | 162.5 | 0 | 0 | 0 | 109.8 | L536 L543 L544 | L536-L540 WeakPolarHBondContact O-CA 3.48Å; L536-L540 WeakPolarHBondContact O-CB 3.31Å; L536-L540 PolarHBondContact O-N 3.19Å; L540-L543 PolarHBondContact O-N 3.38Å; L540-L544 HydrophobicContact CD2-CD1 3.78Å; L540-L544 VanDerWaalsContact O-CB 3.31Å; L540-L544 WeakPolarHBondContact O-CB 3.44Å; L540-L544 PolarHBondContact O-N 3.3Å |
| 541 | F | 58.4 | Low | 59.3 | Low | 144 Ų | 144 | 113.2 Ų | 113.2 | 63% | 0.632 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.1 | -44 | 169 | -171.2 | -98.6 | 0 | 0 | 0 | 111.7 | L537 L544 L545 | L537-F541 WeakPolarHBondContact O-CB 3.19Å; L537-F541 PolarHBondContact O-N 2.73Å; F541-L544 PolarHBondContact O-N 3.43Å; F541-L545 HydrophobicContact CD1-CD1 4.17Å; F541-L545 HydrophobicContact CE1-CD1 3.56Å; F541-L545 HydrophobicContact CZ-CD1 3.94Å; F541-L545 WeakPolarHBondContact O-CB 3.32Å; F541-L545 PolarHBondContact O-N 3.39Å |
| 542 | L | 58.3 | Low | 58.3 | Low | 107 Ų | 107 | 114.7 Ų | 114.7 | 56% | 0.56 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -69.6 | -32.8 | 179.1 | -160.5 | 135.5 | 0 | 0 | 0 | 112.2 | P538 L539 L546 | P538-L542 WeakPolarHBondContact O-CB 3.14Å; P538-L542 PolarHBondContact O-N 2.94Å; L539-L542 PolarHBondContact O-N 2.81Å; L542-L546 HydrophobicContact CD2-CD1 3.88Å; L542-L546 WeakPolarHBondContact O-CB 3.39Å; L542-L546 PolarHBondContact O-N 3.39Å |
| 543 | L | 59 | Low | 57.6 | Low | 109 Ų | 109 | 116.8 Ų | 116.8 | 57% | 0.571 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -76.8 | -35.6 | 175.7 | -157.7 | 145.5 | 0 | 0 | 0 | 111.9 | L539 L540 L546 L547 | L539-L543 WeakPolarHBondContact O-CB 3.16Å; L539-L543 PolarHBondContact O-N 3.04Å; L540-L543 PolarHBondContact O-N 3.38Å; L543-L546 PolarHBondContact O-N 3.48Å; L543-L547 HydrophobicContact CD2-CD1 3.82Å; L543-L547 WeakPolarHBondContact O-CB 3.34Å; L543-L547 PolarHBondContact O-N 2.86Å |
| 544 | L | 59.5 | Low | 57.2 | Low | 99 Ų | 99 | 117.8 Ų | 117.8 | 52% | 0.518 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.8 | -38.8 | 168.3 | -112.6 | 150.5 | 0 | 0 | 0 | 111.4 | L540 F541 L546 L547 L548 | L540-L544 HydrophobicContact CD2-CD1 3.78Å; L540-L544 VanDerWaalsContact O-CB 3.31Å; L540-L544 WeakPolarHBondContact O-CB 3.44Å; L540-L544 PolarHBondContact O-N 3.3Å; F541-L544 PolarHBondContact O-N 3.43Å; L544-L546 VanDerWaalsContact C-N 3.34Å; L544-L547 PolarHBondContact O-N 3.5Å; L544-L548 WeakPolarHBondContact O-CB 3.33Å; L544-L548 PolarHBondContact O-N 3.15Å; L544-L548 VanDerWaalsContact O-N 3.16Å |
| 545 | L | 56.6 | Low | 57 | Low | 90 Ų | 90 | 115.1 Ų | 115.1 | 47% | 0.471 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -68.9 | -34.2 | 176.6 | -139.4 | 127.6 | 0 | 0 | 0 | 111.7 | F541 L548 I549 | F541-L545 HydrophobicContact CD1-CD1 4.17Å; F541-L545 HydrophobicContact CE1-CD1 3.56Å; F541-L545 HydrophobicContact CZ-CD1 3.94Å; F541-L545 WeakPolarHBondContact O-CB 3.32Å; F541-L545 PolarHBondContact O-N 3.39Å; L545-L548 PolarHBondContact O-N 3.32Å; L545-I549 HydrophobicContact CD2-CD1 4.38Å; L545-I549 WeakPolarHBondContact O-CG1 3.37Å; L545-I549 PolarHBondContact O-N 3.32Å |
| 546 | L | 57.8 | Low | 56.9 | Low | 114 Ų | 114 | 114.8 Ų | 114.8 | 60% | 0.597 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -73.1 | -26.1 | 173.2 | -94 | 159 | 0 | 0 | 0 | 113.9 | L542 L543 L544 | L542-L546 HydrophobicContact CD2-CD1 3.88Å; L542-L546 WeakPolarHBondContact O-CB 3.39Å; L542-L546 PolarHBondContact O-N 3.39Å; L543-L546 PolarHBondContact O-N 3.48Å; L544-L546 VanDerWaalsContact C-N 3.34Å |
| 547 | L | 57.1 | Low | 56.9 | Low | 138 Ų | 138 | 117.5 Ų | 117.5 | 72% | 0.723 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -83.8 | -12.7 | 173.6 | -86.8 | 162.9 | 0 | 0 | 0 | 113.2 | L543 L544 | L543-L547 HydrophobicContact CD2-CD1 3.82Å; L543-L547 WeakPolarHBondContact O-CB 3.34Å; L543-L547 PolarHBondContact O-N 2.86Å; L544-L547 PolarHBondContact O-N 3.5Å |
| 548 | L | 50 | Low | 56.4 | Low | 150 Ų | 150 | 118 Ų | 118 | 79% | 0.785 | 61% | 0.614 | S | S | * | * | trans | -101 | -1.2 | 179.7 | -137.7 | 115.6 | 0 | 0 | 0 | 113.2 | L544 L545 | L544-L548 WeakPolarHBondContact O-CB 3.33Å; L544-L548 PolarHBondContact O-N 3.15Å; L544-L548 VanDerWaalsContact O-N 3.16Å; L545-L548 PolarHBondContact O-N 3.32Å | ||
| 549 | I | 47.7 | Very low | 56.2 | Low | 184 Ų | 184 | 122.1 Ų | 122.1 | 94% | 0.944 | 63% | 0.626 | S | S | * | * | trans | -103.3 | 0 | 167.9 | -62.7 | 167.5 | 0 | 0 | 0 | 107 | L545 | L545-I549 HydrophobicContact CD2-CD1 4.38Å; L545-I549 WeakPolarHBondContact O-CG1 3.37Å; L545-I549 PolarHBondContact O-N 3.32Å |
Retrieved 549 of 549 residues in 535.9 ms
(Link to these results)